[{"data":1,"prerenderedAt":1059},["ShallowReactive",2],{"mdc--w19j3z-key":3},{"data":4,"body":5},{},{"type":6,"children":7},"root",[8,17,24,34,53,58,62,69,75,87,92,107,112,140,152,155,161,166,175,181,186,191,196,221,226,229,235,240,258,263,269,311,323,326,332,337,342,347,352,355,361,384,389,392,398,409,426,429,435,440,452,457,462,475,480,498,504,509,527,532,535,541,546,552,557,562,570,575,578,584,589,612,617,622,625,631,636,646,651,664,669,682,687,705,708,714,719,727,732,750,753,759,764,782,787,805,810,815,833,836,842,949,952,958,963,1004,1009,1012,1018,1051,1054],{"type":9,"tag":10,"props":11,"children":13},"element","h2",{"id":12},"lecture-4-video-3",[14],{"type":15,"value":16},"text","📘 Lecture 4 – Video 3",{"type":9,"tag":18,"props":19,"children":21},"h3",{"id":20},"protein-structure-determination-by-nmr-part-3",[22],{"type":15,"value":23},"Protein Structure Determination by NMR (Part 3)",{"type":9,"tag":25,"props":26,"children":27},"p",{},[28],{"type":9,"tag":29,"props":30,"children":31},"strong",{},[32],{"type":15,"value":33},"Topic: Dihedral Angles & Orientational Information from NMR",{"type":9,"tag":25,"props":35,"children":36},{},[37,39,44,46,51],{"type":15,"value":38},"This lecture focuses on how we extract ",{"type":9,"tag":29,"props":40,"children":41},{},[42],{"type":15,"value":43},"dihedral angles",{"type":15,"value":45}," and ",{"type":9,"tag":29,"props":47,"children":48},{},[49],{"type":15,"value":50},"overall molecular orientation",{"type":15,"value":52}," from NMR data — two critical ingredients for determining protein structures.",{"type":9,"tag":25,"props":54,"children":55},{},[56],{"type":15,"value":57},"File reference:",{"type":9,"tag":59,"props":60,"children":61},"hr",{},[],{"type":9,"tag":63,"props":64,"children":66},"h1",{"id":65},"_1-chemical-shifts-secondary-structure",[67],{"type":15,"value":68},"🧬 1. Chemical Shifts & Secondary Structure",{"type":9,"tag":18,"props":70,"children":72},{"id":71},"key-idea",[73],{"type":15,"value":74},"🔎 Key Idea:",{"type":9,"tag":25,"props":76,"children":77},{},[78,80,85],{"type":15,"value":79},"Backbone chemical shifts are highly sensitive to ",{"type":9,"tag":29,"props":81,"children":82},{},[83],{"type":15,"value":84},"secondary structure",{"type":15,"value":86},".",{"type":9,"tag":25,"props":88,"children":89},{},[90],{"type":15,"value":91},"If you compare:",{"type":9,"tag":93,"props":94,"children":95},"ul",{},[96,102],{"type":9,"tag":97,"props":98,"children":99},"li",{},[100],{"type":15,"value":101},"Cα in α-helices",{"type":9,"tag":97,"props":103,"children":104},{},[105],{"type":15,"value":106},"Cα in β-sheets",{"type":9,"tag":25,"props":108,"children":109},{},[110],{"type":15,"value":111},"You see clear differences (some overlap, but distinct trends).\nThis applies not only to:",{"type":9,"tag":93,"props":113,"children":114},{},[115,120,125,130,135],{"type":9,"tag":97,"props":116,"children":117},{},[118],{"type":15,"value":119},"Cα",{"type":9,"tag":97,"props":121,"children":122},{},[123],{"type":15,"value":124},"Cβ",{"type":9,"tag":97,"props":126,"children":127},{},[128],{"type":15,"value":129},"Hα",{"type":9,"tag":97,"props":131,"children":132},{},[133],{"type":15,"value":134},"Carbonyl (C’)",{"type":9,"tag":97,"props":136,"children":137},{},[138],{"type":15,"value":139},"Nitrogen (N)",{"type":9,"tag":25,"props":141,"children":142},{},[143,145,150],{"type":15,"value":144},"👉 Essentially ",{"type":9,"tag":29,"props":146,"children":147},{},[148],{"type":15,"value":149},"all backbone atoms",{"type":15,"value":151}," show structural dependence.",{"type":9,"tag":59,"props":153,"children":154},{},[],{"type":9,"tag":10,"props":156,"children":158},{"id":157},"secondary-chemical-shift",[159],{"type":15,"value":160},"🧪 Secondary Chemical Shift",{"type":9,"tag":25,"props":162,"children":163},{},[164],{"type":15,"value":165},"To use this information quantitatively:",{"type":9,"tag":25,"props":167,"children":168},{},[169],{"type":9,"tag":170,"props":171,"children":172},"span",{},[173],{"type":15,"value":174},"\nextbf{Secondary Shift} = \text{Observed Shift} - \text{Random Coil Shift}\n",{"type":9,"tag":18,"props":176,"children":178},{"id":177},"what-is-a-random-coil-shift",[179],{"type":15,"value":180},"What is a random coil shift?",{"type":9,"tag":25,"props":182,"children":183},{},[184],{"type":15,"value":185},"The chemical shift the atom would have in a completely disordered conformation.",{"type":9,"tag":25,"props":187,"children":188},{},[189],{"type":15,"value":190},"Any deviation = structural influence.",{"type":9,"tag":25,"props":192,"children":193},{},[194],{"type":15,"value":195},"You calculate secondary shifts typically for:",{"type":9,"tag":93,"props":197,"children":198},{},[199,203,207,212,217],{"type":9,"tag":97,"props":200,"children":201},{},[202],{"type":15,"value":119},{"type":9,"tag":97,"props":204,"children":205},{},[206],{"type":15,"value":124},{"type":9,"tag":97,"props":208,"children":209},{},[210],{"type":15,"value":211},"N",{"type":9,"tag":97,"props":213,"children":214},{},[215],{"type":15,"value":216},"C’",{"type":9,"tag":97,"props":218,"children":219},{},[220],{"type":15,"value":129},{"type":9,"tag":25,"props":222,"children":223},{},[224],{"type":15,"value":225},"Sometimes also include neighboring residues (i-1 and i+1) for better prediction.",{"type":9,"tag":59,"props":227,"children":228},{},[],{"type":9,"tag":63,"props":230,"children":232},{"id":231},"talos-predicting-dihedral-angles-from-shifts",[233],{"type":15,"value":234},"🧠 TALOS: Predicting Dihedral Angles from Shifts",{"type":9,"tag":25,"props":236,"children":237},{},[238],{"type":15,"value":239},"Software evolution:",{"type":9,"tag":93,"props":241,"children":242},{},[243,248,253],{"type":9,"tag":97,"props":244,"children":245},{},[246],{"type":15,"value":247},"TALOS",{"type":9,"tag":97,"props":249,"children":250},{},[251],{"type":15,"value":252},"TALOS+",{"type":9,"tag":97,"props":254,"children":255},{},[256],{"type":15,"value":257},"TALOS-N",{"type":9,"tag":25,"props":259,"children":260},{},[261],{"type":15,"value":262},"Same core idea, progressively improved.",{"type":9,"tag":18,"props":264,"children":266},{"id":265},"how-talos-works",[267],{"type":15,"value":268},"💡 How TALOS Works:",{"type":9,"tag":270,"props":271,"children":272},"ol",{},[273,278,296,301,306],{"type":9,"tag":97,"props":274,"children":275},{},[276],{"type":15,"value":277},"Calculate secondary shifts for residue triplets.",{"type":9,"tag":97,"props":279,"children":280},{},[281,283],{"type":15,"value":282},"Search a database of proteins with:",{"type":9,"tag":93,"props":284,"children":285},{},[286,291],{"type":9,"tag":97,"props":287,"children":288},{},[289],{"type":15,"value":290},"Known structures",{"type":9,"tag":97,"props":292,"children":293},{},[294],{"type":15,"value":295},"Known chemical shifts",{"type":9,"tag":97,"props":297,"children":298},{},[299],{"type":15,"value":300},"Find best matches (usually top 10).",{"type":9,"tag":97,"props":302,"children":303},{},[304],{"type":15,"value":305},"Extract their φ (phi) and ψ (psi) angles.",{"type":9,"tag":97,"props":307,"children":308},{},[309],{"type":15,"value":310},"Predict your residue’s allowed Ramachandran region.",{"type":9,"tag":25,"props":312,"children":313},{},[314,316,321],{"type":15,"value":315},"Even the amino acid type does ",{"type":9,"tag":29,"props":317,"children":318},{},[319],{"type":15,"value":320},"not",{"type":15,"value":322}," have to match — it matches based on secondary shifts.",{"type":9,"tag":59,"props":324,"children":325},{},[],{"type":9,"tag":18,"props":327,"children":329},{"id":328},"example-outcome",[330],{"type":15,"value":331},"📊 Example Outcome",{"type":9,"tag":25,"props":333,"children":334},{},[335],{"type":15,"value":336},"If all 10 best matches cluster in a β-sheet region of the Ramachandran plot:",{"type":9,"tag":25,"props":338,"children":339},{},[340],{"type":15,"value":341},"→ Very likely your residue is also β-sheet.",{"type":9,"tag":25,"props":343,"children":344},{},[345],{"type":15,"value":346},"If matches scatter across different regions:",{"type":9,"tag":25,"props":348,"children":349},{},[350],{"type":15,"value":351},"→ No reliable prediction.",{"type":9,"tag":59,"props":353,"children":354},{},[],{"type":9,"tag":10,"props":356,"children":358},{"id":357},"why-this-is-powerful",[359],{"type":15,"value":360},"🎯 Why This Is Powerful",{"type":9,"tag":93,"props":362,"children":363},{},[364,369,374,379],{"type":9,"tag":97,"props":365,"children":366},{},[367],{"type":15,"value":368},"You already measure chemical shifts for assignment.",{"type":9,"tag":97,"props":370,"children":371},{},[372],{"type":15,"value":373},"No extra experiment required.",{"type":9,"tag":97,"props":375,"children":376},{},[377],{"type":15,"value":378},"Gives backbone angle restraints for structure calculation.",{"type":9,"tag":97,"props":380,"children":381},{},[382],{"type":15,"value":383},"Often defines secondary structure very well.",{"type":9,"tag":25,"props":385,"children":386},{},[387],{"type":15,"value":388},"Because of this efficiency:\n👉 J-coupling-based angle measurements are now rarely used.",{"type":9,"tag":59,"props":390,"children":391},{},[],{"type":9,"tag":63,"props":393,"children":395},{"id":394},"_2-scalar-couplings-j-couplings-dihedral-angles",[396],{"type":15,"value":397},"🔁 2. Scalar Couplings (J-Couplings) & Dihedral Angles",{"type":9,"tag":25,"props":399,"children":400},{},[401,403,408],{"type":15,"value":402},"Scalar couplings depend on ",{"type":9,"tag":29,"props":404,"children":405},{},[406],{"type":15,"value":407},"local geometry",{"type":15,"value":86},{"type":9,"tag":25,"props":410,"children":411},{},[412,414,419,421],{"type":15,"value":413},"They follow ",{"type":9,"tag":29,"props":415,"children":416},{},[417],{"type":15,"value":418},"Karplus curves",{"type":15,"value":420}," — sinusoidal relationships between:\n",{"type":9,"tag":170,"props":422,"children":423},{},[424],{"type":15,"value":425},"\nJ = f(\text{dihedral angle})\n",{"type":9,"tag":59,"props":427,"children":428},{},[],{"type":9,"tag":10,"props":430,"children":432},{"id":431},"example-φ-angle",[433],{"type":15,"value":434},"📐 Example: φ Angle",{"type":9,"tag":25,"props":436,"children":437},{},[438],{"type":15,"value":439},"The coupling between:",{"type":9,"tag":93,"props":441,"children":442},{},[443,448],{"type":9,"tag":97,"props":444,"children":445},{},[446],{"type":15,"value":447},"HN",{"type":9,"tag":97,"props":449,"children":450},{},[451],{"type":15,"value":129},{"type":9,"tag":25,"props":453,"children":454},{},[455],{"type":15,"value":456},"depends on φ.",{"type":9,"tag":25,"props":458,"children":459},{},[460],{"type":15,"value":461},"If you measure:",{"type":9,"tag":93,"props":463,"children":464},{},[465,470],{"type":9,"tag":97,"props":466,"children":467},{},[468],{"type":15,"value":469},"J = 10 Hz → φ ≈ 120° (well-defined)",{"type":9,"tag":97,"props":471,"children":472},{},[473],{"type":15,"value":474},"J = 4 Hz → ambiguous (could correspond to multiple angles)",{"type":9,"tag":25,"props":476,"children":477},{},[478],{"type":15,"value":479},"⚠️ Problem:",{"type":9,"tag":93,"props":481,"children":482},{},[483,488,493],{"type":9,"tag":97,"props":484,"children":485},{},[486],{"type":15,"value":487},"Many angles give the same coupling.",{"type":9,"tag":97,"props":489,"children":490},{},[491],{"type":15,"value":492},"Small couplings are difficult to measure.",{"type":9,"tag":97,"props":494,"children":495},{},[496],{"type":15,"value":497},"ψ and χ1 couplings are even harder (small values).",{"type":9,"tag":18,"props":499,"children":501},{"id":500},"conclusion",[502],{"type":15,"value":503},"Conclusion:",{"type":9,"tag":25,"props":505,"children":506},{},[507],{"type":15,"value":508},"Chemical shifts are:",{"type":9,"tag":93,"props":510,"children":511},{},[512,517,522],{"type":9,"tag":97,"props":513,"children":514},{},[515],{"type":15,"value":516},"Easier",{"type":9,"tag":97,"props":518,"children":519},{},[520],{"type":15,"value":521},"Already measured",{"type":9,"tag":97,"props":523,"children":524},{},[525],{"type":15,"value":526},"More reliable",{"type":9,"tag":25,"props":528,"children":529},{},[530],{"type":15,"value":531},"Hence: TALOS dominates.",{"type":9,"tag":59,"props":533,"children":534},{},[],{"type":9,"tag":63,"props":536,"children":538},{"id":537},"_3-orientational-information-residual-dipolar-couplings-rdcs",[539],{"type":15,"value":540},"🧭 3. Orientational Information: Residual Dipolar Couplings (RDCs)",{"type":9,"tag":25,"props":542,"children":543},{},[544],{"type":15,"value":545},"Now comes something very powerful.",{"type":9,"tag":18,"props":547,"children":549},{"id":548},"normally",[550],{"type":15,"value":551},"Normally:",{"type":9,"tag":25,"props":553,"children":554},{},[555],{"type":15,"value":556},"Proteins tumble freely in solution.\nAll orientations equally probable.\nDipolar couplings average to zero.",{"type":9,"tag":25,"props":558,"children":559},{},[560],{"type":15,"value":561},"Because the angular term:",{"type":9,"tag":25,"props":563,"children":564},{},[565],{"type":9,"tag":170,"props":566,"children":567},{},[568],{"type":15,"value":569},"\n3cos^2\theta - 1\n",{"type":9,"tag":25,"props":571,"children":572},{},[573],{"type":15,"value":574},"averages to zero over all orientations.",{"type":9,"tag":59,"props":576,"children":577},{},[],{"type":9,"tag":10,"props":579,"children":581},{"id":580},"what-if-we-partially-align-the-protein",[582],{"type":15,"value":583},"🧲 What if We Partially Align the Protein?",{"type":9,"tag":25,"props":585,"children":586},{},[587],{"type":15,"value":588},"Use anisotropic media like:",{"type":9,"tag":93,"props":590,"children":591},{},[592,597,602,607],{"type":9,"tag":97,"props":593,"children":594},{},[595],{"type":15,"value":596},"Liquid crystalline solvents",{"type":9,"tag":97,"props":598,"children":599},{},[600],{"type":15,"value":601},"Stretched polyacrylamide gels",{"type":9,"tag":97,"props":603,"children":604},{},[605],{"type":15,"value":606},"Lipid bicelles",{"type":9,"tag":97,"props":608,"children":609},{},[610],{"type":15,"value":611},"Bacteriophages",{"type":9,"tag":25,"props":613,"children":614},{},[615],{"type":15,"value":616},"These align in the magnetic field.",{"type":9,"tag":25,"props":618,"children":619},{},[620],{"type":15,"value":621},"Dissolve protein in such media → protein becomes slightly oriented.",{"type":9,"tag":59,"props":623,"children":624},{},[],{"type":9,"tag":10,"props":626,"children":628},{"id":627},"residual-dipolar-couplings-rdcs",[629],{"type":15,"value":630},"📏 Residual Dipolar Couplings (RDCs)",{"type":9,"tag":25,"props":632,"children":633},{},[634],{"type":15,"value":635},"Now dipolar couplings no longer fully average to zero.",{"type":9,"tag":25,"props":637,"children":638},{},[639,641],{"type":15,"value":640},"You observe small, non-zero couplings:\n→ ",{"type":9,"tag":29,"props":642,"children":643},{},[644],{"type":15,"value":645},"Residual Dipolar Couplings",{"type":9,"tag":25,"props":647,"children":648},{},[649],{"type":15,"value":650},"They depend on:",{"type":9,"tag":93,"props":652,"children":653},{},[654,659],{"type":9,"tag":97,"props":655,"children":656},{},[657],{"type":15,"value":658},"Internuclear distance (fixed for NH bond)",{"type":9,"tag":97,"props":660,"children":661},{},[662],{"type":15,"value":663},"Angle θ between bond vector and magnetic field",{"type":9,"tag":25,"props":665,"children":666},{},[667],{"type":15,"value":668},"So for an NH pair:",{"type":9,"tag":93,"props":670,"children":671},{},[672,677],{"type":9,"tag":97,"props":673,"children":674},{},[675],{"type":15,"value":676},"Distance is known.",{"type":9,"tag":97,"props":678,"children":679},{},[680],{"type":15,"value":681},"Measure RDC → determine orientation angle.",{"type":9,"tag":25,"props":683,"children":684},{},[685],{"type":15,"value":686},"You can do this for:",{"type":9,"tag":93,"props":688,"children":689},{},[690,695,700],{"type":9,"tag":97,"props":691,"children":692},{},[693],{"type":15,"value":694},"NH bonds",{"type":9,"tag":97,"props":696,"children":697},{},[698],{"type":15,"value":699},"CH bonds",{"type":9,"tag":97,"props":701,"children":702},{},[703],{"type":15,"value":704},"(theoretically HH)",{"type":9,"tag":59,"props":706,"children":707},{},[],{"type":9,"tag":63,"props":709,"children":711},{"id":710},"what-does-this-give-you",[712],{"type":15,"value":713},"🧩 What Does This Give You?",{"type":9,"tag":25,"props":715,"children":716},{},[717],{"type":15,"value":718},"You now get orientation of many bond vectors relative to:",{"type":9,"tag":93,"props":720,"children":721},{},[722],{"type":9,"tag":97,"props":723,"children":724},{},[725],{"type":15,"value":726},"The laboratory frame (magnetic field axis)",{"type":9,"tag":25,"props":728,"children":729},{},[730],{"type":15,"value":731},"This provides:",{"type":9,"tag":93,"props":733,"children":734},{},[735,740,745],{"type":9,"tag":97,"props":736,"children":737},{},[738],{"type":15,"value":739},"Long-range angular information",{"type":9,"tag":97,"props":741,"children":742},{},[743],{"type":15,"value":744},"Global structural constraints",{"type":9,"tag":97,"props":746,"children":747},{},[748],{"type":15,"value":749},"Domain orientation information",{"type":9,"tag":59,"props":751,"children":752},{},[],{"type":9,"tag":10,"props":754,"children":756},{"id":755},"domain-orientation-problem",[757],{"type":15,"value":758},"🧱 Domain Orientation Problem",{"type":9,"tag":25,"props":760,"children":761},{},[762],{"type":15,"value":763},"Imagine:",{"type":9,"tag":93,"props":765,"children":766},{},[767,772,777],{"type":9,"tag":97,"props":768,"children":769},{},[770],{"type":15,"value":771},"Two domains",{"type":9,"tag":97,"props":773,"children":774},{},[775],{"type":15,"value":776},"Each domain has a well-defined structure",{"type":9,"tag":97,"props":778,"children":779},{},[780],{"type":15,"value":781},"You don’t know how they orient relative to each other",{"type":9,"tag":25,"props":783,"children":784},{},[785],{"type":15,"value":786},"RDCs allow:",{"type":9,"tag":93,"props":788,"children":789},{},[790,795,800],{"type":9,"tag":97,"props":791,"children":792},{},[793],{"type":15,"value":794},"Assigning coordinate frames to each domain",{"type":9,"tag":97,"props":796,"children":797},{},[798],{"type":15,"value":799},"Comparing them",{"type":9,"tag":97,"props":801,"children":802},{},[803],{"type":15,"value":804},"Finding orientation where coordinate systems coincide",{"type":9,"tag":25,"props":806,"children":807},{},[808],{"type":15,"value":809},"Only one orientation satisfies both RDC datasets.",{"type":9,"tag":25,"props":811,"children":812},{},[813],{"type":15,"value":814},"This is extremely powerful for:",{"type":9,"tag":93,"props":816,"children":817},{},[818,823,828],{"type":9,"tag":97,"props":819,"children":820},{},[821],{"type":15,"value":822},"Multi-domain proteins",{"type":9,"tag":97,"props":824,"children":825},{},[826],{"type":15,"value":827},"Flexible linkers",{"type":9,"tag":97,"props":829,"children":830},{},[831],{"type":15,"value":832},"Assemblies",{"type":9,"tag":59,"props":834,"children":835},{},[],{"type":9,"tag":63,"props":837,"children":839},{"id":838},"summary-of-information-sources",[840],{"type":15,"value":841},"📌 Summary of Information Sources",{"type":9,"tag":843,"props":844,"children":845},"table",{},[846,875],{"type":9,"tag":847,"props":848,"children":849},"thead",{},[850],{"type":9,"tag":851,"props":852,"children":853},"tr",{},[854,860,865,870],{"type":9,"tag":855,"props":856,"children":857},"th",{},[858],{"type":15,"value":859},"Method",{"type":9,"tag":855,"props":861,"children":862},{},[863],{"type":15,"value":864},"Gives",{"type":9,"tag":855,"props":866,"children":867},{},[868],{"type":15,"value":869},"Strength",{"type":9,"tag":855,"props":871,"children":872},{},[873],{"type":15,"value":874},"Limitation",{"type":9,"tag":876,"props":877,"children":878},"tbody",{},[879,903,926],{"type":9,"tag":851,"props":880,"children":881},{},[882,888,893,898],{"type":9,"tag":883,"props":884,"children":885},"td",{},[886],{"type":15,"value":887},"Chemical Shifts (TALOS)",{"type":9,"tag":883,"props":889,"children":890},{},[891],{"type":15,"value":892},"φ, ψ prediction",{"type":9,"tag":883,"props":894,"children":895},{},[896],{"type":15,"value":897},"Easy, reliable",{"type":9,"tag":883,"props":899,"children":900},{},[901],{"type":15,"value":902},"Statistical",{"type":9,"tag":851,"props":904,"children":905},{},[906,911,916,921],{"type":9,"tag":883,"props":907,"children":908},{},[909],{"type":15,"value":910},"J-couplings",{"type":9,"tag":883,"props":912,"children":913},{},[914],{"type":15,"value":915},"φ (mostly)",{"type":9,"tag":883,"props":917,"children":918},{},[919],{"type":15,"value":920},"Direct geometry",{"type":9,"tag":883,"props":922,"children":923},{},[924],{"type":15,"value":925},"Ambiguous, hard to measure",{"type":9,"tag":851,"props":927,"children":928},{},[929,934,939,944],{"type":9,"tag":883,"props":930,"children":931},{},[932],{"type":15,"value":933},"RDCs",{"type":9,"tag":883,"props":935,"children":936},{},[937],{"type":15,"value":938},"Bond orientations",{"type":9,"tag":883,"props":940,"children":941},{},[942],{"type":15,"value":943},"Long-range orientation",{"type":9,"tag":883,"props":945,"children":946},{},[947],{"type":15,"value":948},"Difficult sample prep",{"type":9,"tag":59,"props":950,"children":951},{},[],{"type":9,"tag":63,"props":953,"children":955},{"id":954},"big-picture",[956],{"type":15,"value":957},"🎓 Big Picture",{"type":9,"tag":25,"props":959,"children":960},{},[961],{"type":15,"value":962},"In protein NMR structure determination:",{"type":9,"tag":270,"props":964,"children":965},{},[966,971,994,999],{"type":9,"tag":97,"props":967,"children":968},{},[969],{"type":15,"value":970},"Assign chemical shifts",{"type":9,"tag":97,"props":972,"children":973},{},[974,976],{"type":15,"value":975},"Extract:",{"type":9,"tag":93,"props":977,"children":978},{},[979,984,989],{"type":9,"tag":97,"props":980,"children":981},{},[982],{"type":15,"value":983},"Dihedral angle restraints (TALOS)",{"type":9,"tag":97,"props":985,"children":986},{},[987],{"type":15,"value":988},"Distance restraints (NOEs, earlier video)",{"type":9,"tag":97,"props":990,"children":991},{},[992],{"type":15,"value":993},"Orientational restraints (RDCs)",{"type":9,"tag":97,"props":995,"children":996},{},[997],{"type":15,"value":998},"Feed all restraints into structure calculation",{"type":9,"tag":97,"props":1000,"children":1001},{},[1002],{"type":15,"value":1003},"Obtain 3D model",{"type":9,"tag":25,"props":1005,"children":1006},{},[1007],{"type":15,"value":1008},"This lecture covered the angular and orientational components.",{"type":9,"tag":59,"props":1010,"children":1011},{},[],{"type":9,"tag":10,"props":1013,"children":1015},{"id":1014},"core-takeaways",[1016],{"type":15,"value":1017},"🔑 Core Takeaways",{"type":9,"tag":93,"props":1019,"children":1020},{},[1021,1026,1031,1036,1041,1046],{"type":9,"tag":97,"props":1022,"children":1023},{},[1024],{"type":15,"value":1025},"Chemical shifts encode secondary structure.",{"type":9,"tag":97,"props":1027,"children":1028},{},[1029],{"type":15,"value":1030},"Secondary shifts → TALOS → φ/ψ restraints.",{"type":9,"tag":97,"props":1032,"children":1033},{},[1034],{"type":15,"value":1035},"J-couplings follow Karplus curves but are ambiguous.",{"type":9,"tag":97,"props":1037,"children":1038},{},[1039],{"type":15,"value":1040},"Partial alignment enables measurement of RDCs.",{"type":9,"tag":97,"props":1042,"children":1043},{},[1044],{"type":15,"value":1045},"RDCs give global orientation information.",{"type":9,"tag":97,"props":1047,"children":1048},{},[1049],{"type":15,"value":1050},"Especially powerful for multi-domain proteins.",{"type":9,"tag":59,"props":1052,"children":1053},{},[],{"type":9,"tag":25,"props":1055,"children":1056},{},[1057],{"type":15,"value":1058},"Next step (Video 4): Structure calculation and validation.",1775084287351]