A0A096MJ64_RAT Loading...

SH2 domain containing 5

AlphaFold DB (D3ZWT6), UniProt , Accession A0A096MJ64, Species RAT (Rattus norvegicus, Rat), Gene Sh2d5, Length 429 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.9Very low39Very low237 Ų237154.2 Ų154.2100%1.16788%0.875SS**  0170.10-73.1-178.4171.500109.2
2Q41.9Very low39.1Very low174 Ų174150.3 Ų150.381%0.81387%0.865SS**  trans9.9120.8162.6-56.5173.37.100117.4
3R37.5Very low39.1Very low248 Ų248151 Ų15194%0.93686%0.864SS**  51.7133.969.9-67.6-171.4175.6-170.3-0.1112.4
4A40.5Very low39.2Very low99 Ų99149.9 Ų149.982%0.81887%0.868SS**  cis-149.6178.2200000108.1
5G37.1Very low39.5Very low66 Ų66143.6 Ų143.668%0.6885%0.848SS**  cis109.1122.77.400000112.2
6A41.8Very low39.8Very low115 Ų115142.8 Ų142.895%0.9585%0.848SS**  trans65.1157-17700000115.8
7G38.6Very low39.6Very low68 Ų68139.8 Ų139.870%0.70184%0.843SS**  cis175.7164.7-4.300000112.2R9G7-R9 PolarHBondContact O-N 2.85Å
8A35.1Very low39.7Very low103 Ų103138.1 Ų138.185%0.85184%0.835SS**PPolyproline II helixtrans-60127.1-174.600000113.3
9R36.4Very low39.6Very low242 Ų242140.9 Ų140.991%0.91383%0.831SS**PPolyproline II helixtrans-80.5127.3163.6-73.3-164.8178.7-149.91.3109.6G7G7-R9 PolarHBondContact O-N 2.85Å
10R40.8Very low39.9Very low234 Ų234144.2 Ų144.288%0.88383%0.828SS**PPolyproline II helixtrans-73.8150.9175.4-59.4176.6-178.8-178.9-1.1110S12R10-S12 PolarHBondContact O-N 2.83Å
11A37.2Very low40.7Very low110 Ų110140.3 Ų140.391%0.90981%0.808SS**SBendtrans-74.7110.1169.600000110.3
12S40.6Very low42Very low108 Ų108133.5 Ų133.576%0.75577%0.769SS**  trans-163.258166.4-171.40000111.5R10R10-S12 PolarHBondContact O-N 2.83Å
13D38.5Very low43.9Very low159 Ų159128.4 Ų128.485%0.8575%0.752SS**  trans-132.264175.5-90.6-51000110.4G15D13-G15 PolarHBondContact O-N 3.41Å
14C41.3Very low46.4Very low136 Ų136116.9 Ų116.992%0.91971%0.709SS**  trans-77.177.1165.4-70.30000109.4
15G42.9Very low48.9Very low55 Ų55114 Ų11457%0.56769%0.685SS**PPolyproline II helixtrans-58.1157.8174.300000112.8D13 A17D13-G15 PolarHBondContact O-N 3.41Å; G15-A17 PolarHBondContact O-N 3.25Å
16P44.1Very low51.6Low131 Ų131112.9 Ų112.985%0.85166%0.662SS**PPolyproline II helixtrans-58.9132.3-177.324.8-34.2000110.9
17A36.3Very low54.1Low92 Ų92108.4 Ų108.476%0.7662%0.621SS**PPolyproline II helixtrans-58.8137.7-178.200000111.1G15 Y19G15-A17 PolarHBondContact O-N 3.25Å; A17-Y19 PolarHBondContact O-N 2.87Å
18P41.3Very low56.8Low108 Ų108105.2 Ų105.270%0.70159%0.588SS**PPolyproline II helixtrans-62132.9-172.123.8-34000111.6R20P18-R20 PolarHBondContact O-N 2.81Å
19Y38.4Very low59.8Low193 Ų193102.3 Ų102.376%0.75756%0.556SS**  trans-61.395.9-174.3-164.6-92000111.5A17 P21A17-Y19 PolarHBondContact O-N 2.87Å; Y19-P21 WeakPolarHBondContact O-CD 3.12Å
20R46.5Very low62.7Low205 Ų20591.7 Ų91.777%0.77452%0.517SS*.PPolyproline II helixtrans-79.8118.4177.3-69.6-173.6178.2-174.1-0.6109.2P18 R22P18-R20 PolarHBondContact O-N 2.81Å; R20-R22 PolarHBondContact O-N 3.26Å
21P55.8Low65.3Low63 Ų6381.3 Ų81.341%0.40948%0.479SS..PPolyproline II helixtrans-60.7140.8177.626-34.1000110Y19 C23Y19-P21 WeakPolarHBondContact O-CD 3.12Å; P21-C23 PolarHBondContact O-N 3Å
22R69.4Low68.1Low94 Ų9477.1 Ų77.136%0.35545%0.447SS..PPolyproline II helixtrans-58.2124.6177.7-171.5-178.2-177.2160.42.4109.1R20 W277 C289 L290R20-R22 PolarHBondContact O-N 3.26Å; R22-W277 HydrophobicContact CB-CZ2 3.99Å; R22-C289 VanDerWaalsContact CD-SG 3.5Å; R22-C289 PolarHBondContact NH1-SG 3.02Å; R22-L290 PolarHBondContact NE-O 2.86Å
23C82.5Confident70.6Confident68 Ų6873.8 Ų73.846%0.45942%0.423SS..  trans-118.5139.1177.7-170.80000108.5P21 F68P21-C23 PolarHBondContact O-N 3Å; C23-F68 VanDerWaalsContact CA-O 3.31Å; C23-F68 WeakPolarHBondContact CA-O 3.41Å; C23-F68 PolarHBondContact SG-O 3.16Å; C23-F68 VanDerWaalsContact SG-O 3.41Å
24I90Very high73.2Confident6 Ų667.2 Ų67.23%0.03139%0.387CS..EExtended strand (participates in β ladder)trans-109.4132170.7-68.8172000107.5K26 K67 F68 L137 L290 E292I24-K26 HydrophobicContact CG2-CG 4.43Å; I24-K67 CarbonylContact O-C 3.51Å; I24-K67 WeakPolarHBondContact O-CA 3.23Å; I24-F68 PolarHBondContact N-O 2.92Å; I24-F68 PolarHBondContact O-N 3.02Å; I24-L137 HydrophobicContact CD1-CD2 3.64Å; I24-L137 HydrophobicContact CG2-CD1 3.68Å; I24-L137 HydrophobicContact CG2-CD2 4.32Å; I24-L290 HydrophobicContact CD1-CB 4.37Å; I24-L290 HydrophobicContact CD1-CD2 4.05Å; I24-L290 HydrophobicContact CD1-CG 3.95Å; I24-E292 HydrophobicContact CD1-CB 4.01Å; I24-E292 HydrophobicContact CD1-CG 4.38Å; I24-E292 HydrophobicContact CG2-CG 3.92Å
25A91.9Very high75.7Confident37 Ų3764.6 Ų64.631%0.30637%0.368SS..EExtended strand (participates in β ladder)trans-111131.6179.900000109.9I65 L66 K67A25-I65 HydrophobicContact CB-CG2 4.19Å; A25-L66 CarbonylContact C-O 3.51Å; A25-L66 WeakPolarHBondContact CA-O 3.27Å; A25-K67 HydrophobicContact CB-CG 4.19Å
26K94.8Very high78Confident44 Ų4462.1 Ų62.119%0.19134%0.342CS..EExtended strand (participates in β ladder)trans-132.6148.5176.5-67.3-65.4-159.7-179.50110.1I24 I65 L66 F68 I133 L134 L137 E292I24-K26 HydrophobicContact CG2-CG 4.43Å; K26-I65 CarbonylContact O-C 3.56Å; K26-I65 WeakPolarHBondContact O-CA 3.23Å; K26-L66 PolarHBondContact N-O 3.31Å; K26-L66 PolarHBondContact O-N 3.06Å; K26-F68 HydrophobicContact CB-CE2 4.28Å; K26-F68 HydrophobicContact CG-CE2 4.33Å; K26-I133 HydrophobicContact CD-CG2 4.34Å; K26-I133 VanDerWaalsContact CE-CG1 3.49Å; K26-L134 HydrophobicContact CB-CD2 3.42Å; K26-L134 VanDerWaalsContact CB-CD2 3.42Å; K26-L134 HydrophobicContact CG-CD2 3.84Å; K26-L137 HydrophobicContact CG-CD1 4.04Å; K26-E292 VanDerWaalsContact CE-OE1 3.28Å; K26-E292 WeakPolarHBondContact CE-OE1 3.43Å; K26-E292 IonicContact NZ-OE1 2.7Å; K26-E292 PolarHBondContact NZ-OE1 3.43Å
27F94Very high79.9Confident21 Ų2160.6 Ų60.69%0.09233%0.327CS..EExtended strand (participates in β ladder)trans-87.1147.5172.3-175.3-97.3000110.2Q29 A63 L265 Q266F27-Q29 HydrophobicContact CE1-CG 4.41Å; F27-A63 HydrophobicContact CE2-CB 3.85Å; F27-A63 HydrophobicContact CZ-CB 3.72Å; F27-L265 HydrophobicContact CE2-CB 4.19Å; F27-L265 HydrophobicContact CE2-CD1 3.99Å; F27-L265 HydrophobicContact CZ-CD1 4.07Å; F27-Q266 HydrophobicContact CB-CG 4.14Å; F27-Q266 HydrophobicContact CG-CG 4.44Å
28A95.8Very high81.7Confident1 Ų162 Ų621%0.00832%0.322CS..EExtended strand (participates in β ladder)trans-155.8177.5164.600000109.5V64 L66 F123 L134A28-V64 HydrophobicContact CB-CG2 4.31Å; A28-V64 PolarHBondContact N-O 3.26Å; A28-V64 VanDerWaalsContact O-CG2 3.28Å; A28-V64 WeakPolarHBondContact O-CG2 3.39Å; A28-V64 PolarHBondContact O-N 3.16Å; A28-V64 VanDerWaalsContact O-O 3.1Å; A28-L66 HydrophobicContact CB-CD1 3.61Å; A28-F123 HydrophobicContact CB-CB 4.33Å; A28-L134 HydrophobicContact CB-CD1 4.07Å
29Q96.8Very high83.7Confident41 Ų4160.6 Ų60.619%0.19231%0.308CS..EExtended strand (participates in β ladder)trans-109.8121.5165.9-46.4179.6-400108.8F27 R61 R62 F123 V124 E262F27-Q29 HydrophobicContact CE1-CG 4.41Å; Q29-R61 HydrophobicContact CB-CB 4.03Å; Q29-R62 CarbonylContact C-O 3.58Å; Q29-R62 WeakPolarHBondContact CA-O 3.06Å; Q29-F123 CarbonylContact O-C 3.48Å; Q29-F123 WeakPolarHBondContact O-CA 3.2Å; Q29-V124 HydrophobicContact CB-CG2 4Å; Q29-V124 PolarHBondContact N-O 3.4Å; Q29-V124 PolarHBondContact O-N 3.19Å; Q29-E262 PolarHBondContact NE2-OE1 3.13Å
30Y97.2Very high86.1Confident20 Ų2055.6 Ų55.68%0.07829%0.294CS..EExtended strand (participates in β ladder)trans-78.2128.6173.9171.2-110.6000109.5G32 S33 R61 R62 M85 L122 F123Y30-G32 VanDerWaalsContact CE2-C 3.5Å; Y30-G32 WeakPolarHBondContact CE2-O 3.47Å; Y30-G32 VanDerWaalsContact CZ-C 3.43Å; Y30-S33 PolarHBondContact OH-N 3.16Å; Y30-S33 PolarHBondContact OH-OG 3.4Å; Y30-R61 CarbonylContact O-C 3.43Å; Y30-R61 WeakPolarHBondContact O-CA 3.37Å; Y30-R62 PolarHBondContact N-O 3.26Å; Y30-R62 PolarHBondContact O-N 2.7Å; Y30-M85 HydrophobicContact CD2-CE 4.03Å; Y30-M85 HydrophobicContact CE2-CE 3.63Å; Y30-L122 WeakPolarHBondContact CD2-O 3.27Å; Y30-F123 HydrophobicContact CD2-CD1 4.04Å; Y30-F123 AromaticContact CD2-CE1 3.61Å; Y30-F123 HydrophobicContact CD2-CE1 3.61Å; Y30-F123 HydrophobicContact CD2-CE2 4.46Å; Y30-F123 AromaticContact CD2-CZ 3.83Å; Y30-F123 HydrophobicContact CD2-CZ 3.83Å; Y30-F123 HydrophobicContact CE2-CZ 4.4Å; Y30-F123 HydrophobicContact CG-CE1 4.19Å
31V96.6Very high88Confident16 Ų1648.3 Ų48.310%0.09727%0.273CS..EExtended strand (participates in β ladder)trans-88.7-53.6179.5-176.70000109.7C58 L122 V124V31-C58 HydrophobicContact CG1-CB 3.78Å; V31-L122 HydrophobicContact CB-CB 4.33Å; V31-L122 HydrophobicContact CB-CD2 4.08Å; V31-L122 HydrophobicContact CB-CG 4.04Å; V31-L122 HydrophobicContact CG1-CD2 4.15Å; V31-L122 HydrophobicContact CG2-CD2 4.27Å; V31-L122 HydrophobicContact CG2-CG 4.07Å; V31-L122 PolarHBondContact N-O 2.84Å; V31-V124 HydrophobicContact CG2-CB 4.38Å; V31-V124 HydrophobicContact CG2-CG1 3.84Å; V31-V124 HydrophobicContact CG2-CG2 3.78Å
32G94.6Very high89.6Confident22 Ų2247.3 Ų47.323%0.22726%0.263CS..EExtended strand (participates in β ladder)trans171.6-173.8-175.300000111.8Y30 L122Y30-G32 VanDerWaalsContact CE2-C 3.5Å; Y30-G32 WeakPolarHBondContact CE2-O 3.47Å; Y30-G32 VanDerWaalsContact CZ-C 3.43Å; G32-L122 PolarHBondContact O-N 2.9Å
33S94.2Very high90.7Very high38 Ų3848.1 Ų48.127%0.26627%0.27SS..EExtended strand (participates in β ladder)trans-135.6141.1170.5-56.10000110.3Y30 C120 H121Y30-S33 PolarHBondContact OH-N 3.16Å; Y30-S33 PolarHBondContact OH-OG 3.4Å; S33-C120 WeakPolarHBondContact CA-O 3.48Å; S33-C120 WeakPolarHBondContact CB-O 3.24Å; S33-H121 PolarHBondContact OG-ND1 2.87Å
34F93.6Very high91.1Very high20 Ų2045.8 Ų45.89%0.08826%0.255CS..EExtended strand (participates in β ladder)trans-120.9148.6174.854.2-85.9000110.1V36 V48 H51 L52 L55 F119 C120F34-V36 HydrophobicContact CD2-CG2 4.42Å; F34-V36 HydrophobicContact CE2-CG2 4.25Å; F34-V48 HydrophobicContact CE2-CG2 4.22Å; F34-H51 HydrophobicContact CD1-CB 4.33Å; F34-H51 HydrophobicContact CD2-CB 4.06Å; F34-H51 AromaticContact CD2-CD2 3.68Å; F34-H51 AromaticContact CD2-CG 3.8Å; F34-H51 HydrophobicContact CE1-CB 3.77Å; F34-H51 HydrophobicContact CE2-CB 3.46Å; F34-H51 VanDerWaalsContact CE2-CB 3.46Å; F34-H51 AromaticContact CE2-CD2 3.52Å; F34-H51 AromaticContact CE2-CG 3.6Å; F34-H51 HydrophobicContact CG-CB 4.47Å; F34-H51 HydrophobicContact CZ-CB 3.28Å; F34-H51 AromaticContact CZ-CG 3.96Å; F34-L52 HydrophobicContact CZ-CD1 4.27Å; F34-L55 HydrophobicContact CD1-CD1 4.02Å; F34-L55 HydrophobicContact CE1-CD1 4.1Å; F34-F119 CarbonylContact O-C 3.59Å; F34-F119 WeakPolarHBondContact O-CA 3.49Å; F34-C120 HydrophobicContact CD1-CB 4.2Å; F34-C120 HydrophobicContact CD2-CB 3.94Å; F34-C120 HydrophobicContact CE1-CB 3.77Å; F34-C120 HydrophobicContact CE2-CB 3.47Å; F34-C120 VanDerWaalsContact CE2-CB 3.47Å; F34-C120 HydrophobicContact CG-CB 4.28Å; F34-C120 HydrophobicContact CZ-CB 3.39Å; F34-C120 WeakPolarHBondContact CZ-SG 3.48Å; F34-C120 PolarHBondContact N-O 3.1Å; F34-C120 VanDerWaalsContact N-O 3.08Å; F34-C120 PolarHBondContact O-N 2.83Å
35P92.9Very high91.2Very high81 Ų8146.1 Ų46.153%0.52626%0.257SS..EExtended strand (participates in β ladder)trans-63.4150.2171.529.8-35.1000110.2L118 F119P35-L118 WeakPolarHBondContact CA-O 3.45Å; P35-F119 HydrophobicContact CB-CD1 4.42Å; P35-F119 HydrophobicContact CB-CE1 4.35Å
36V91.6Very high91.2Very high3 Ų347.1 Ų47.12%0.01826%0.261CS..EExtended strand (participates in β ladder)trans-117.1123.1166.5178.90000106.4F34 L47 V48 V107 L118 C120F34-V36 HydrophobicContact CD2-CG2 4.42Å; F34-V36 HydrophobicContact CE2-CG2 4.25Å; V36-L47 HydrophobicContact CG1-CD2 4.38Å; V36-V48 HydrophobicContact CG1-CG2 4.48Å; V36-V48 HydrophobicContact CG2-CG2 3.77Å; V36-V107 HydrophobicContact CB-CG1 4.37Å; V36-V107 HydrophobicContact CG2-CG1 4.16Å; V36-V107 HydrophobicContact CG2-CG2 4.38Å; V36-L118 HydrophobicContact CB-CB 4.02Å; V36-L118 PolarHBondContact N-O 3.09Å; V36-C120 HydrophobicContact CG2-CB 3.7Å
37D83Confident91Very high100 Ų10046.7 Ų46.754%0.53526%0.261SS..  trans-70.3160.5-179-67.5-51.3000112.1L39D37-L39 VanDerWaalsContact C-N 3.27Å; D37-L39 HydrophobicContact CB-CD1 4.38Å; D37-L39 HydrophobicContact CB-CD2 4.44Å; D37-L39 HydrophobicContact CB-CG 4.05Å; D37-L39 PolarHBondContact O-N 3.44Å
38D76Confident91.1Very high122 Ų12245.7 Ų45.765%0.65226%0.257SS*.SBendtrans-78.772.3-177.4-157.930.3000110.6S116D38-S116 WeakPolarHBondContact OD2-CB 3.32Å
39L81.6Confident90.9Very high78 Ų7848.8 Ų48.841%0.40827%0.271SS..  trans-107.3177.5-176.9-55.6176.5000111.3D37 E43 L47D37-L39 VanDerWaalsContact C-N 3.27Å; D37-L39 HydrophobicContact CB-CD1 4.38Å; D37-L39 HydrophobicContact CB-CD2 4.44Å; D37-L39 HydrophobicContact CB-CG 4.05Å; D37-L39 PolarHBondContact O-N 3.44Å; L39-E43 HydrophobicContact CB-CB 3.86Å; L39-E43 HydrophobicContact CD1-CB 4.22Å; L39-L47 HydrophobicContact CD1-CD1 4.14Å
40D88.4Confident90.7Very high87 Ų8752.2 Ų52.247%0.46529%0.287SS..  trans-57.5154.6165.8175.560.8000110.8Q42 E43 S44D40-Q42 PolarHBondContact O-N 2.95Å; D40-Q42 VanDerWaalsContact OD2-CB 3.28Å; D40-Q42 WeakPolarHBondContact OD2-CB 3.42Å; D40-Q42 VanDerWaalsContact OD2-CG 3.23Å; D40-Q42 WeakPolarHBondContact OD2-CG 3.48Å; D40-Q42 PolarHBondContact OD2-N 2.87Å; D40-E43 HydrophobicContact CB-CB 4.39Å; D40-E43 HydrophobicContact CB-CG 4.08Å; D40-E43 WeakPolarHBondContact CB-OE2 3.29Å; D40-E43 PolarHBondContact N-OE2 3.36Å; D40-E43 PolarHBondContact O-N 2.85Å; D40-S44 WeakPolarHBondContact O-CB 3.32Å; D40-S44 PolarHBondContact O-N 3.05Å; D40-S44 PolarHBondContact O-OG 2.87Å
41T87.4Confident90.5Very high53 Ų5354.7 Ų54.733%0.32530%0.299SS..Hα-helixtrans-55.3-38178.8-650000112.2V45 V320 L394T41-V45 WeakPolarHBondContact O-CB 3.45Å; T41-V45 WeakPolarHBondContact O-CG2 3.25Å; T41-V45 PolarHBondContact O-N 3.29Å; T41-V45 VanDerWaalsContact O-N 3.11Å; T41-V320 HydrophobicContact CG2-CG1 4.26Å; T41-L394 HydrophobicContact CG2-CD1 4.02Å; T41-L394 HydrophobicContact CG2-CD2 4.03Å; T41-L394 HydrophobicContact CG2-CG 4.5Å
42Q90.3Very high90.4Very high42 Ų4254.2 Ų54.220%0.19630%0.296CS..Hα-helixtrans-77-35.8-178.5-47.7-60-28.900111.9D40 V45 C46 H321D40-Q42 PolarHBondContact O-N 2.95Å; D40-Q42 VanDerWaalsContact OD2-CB 3.28Å; D40-Q42 WeakPolarHBondContact OD2-CB 3.42Å; D40-Q42 VanDerWaalsContact OD2-CG 3.23Å; D40-Q42 WeakPolarHBondContact OD2-CG 3.48Å; D40-Q42 PolarHBondContact OD2-N 2.87Å; Q42-V45 PolarHBondContact O-N 3.16Å; Q42-C46 WeakPolarHBondContact O-CB 3.25Å; Q42-C46 PolarHBondContact O-N 3.13Å; Q42-H321 VanDerWaalsContact CD-ND1 3.27Å; Q42-H321 WeakPolarHBondContact CG-ND1 3.44Å; Q42-H321 PolarHBondContact OE1-ND1 3.02Å
43E91.4Very high90.3Very high111 Ų11160 Ų6052%0.51931%0.311SS..Hα-helixtrans-66.1-46.3174.7-64.5178140.400110.7L39 D40 V45 C46 L47L39-E43 HydrophobicContact CB-CB 3.86Å; L39-E43 HydrophobicContact CD1-CB 4.22Å; D40-E43 HydrophobicContact CB-CB 4.39Å; D40-E43 HydrophobicContact CB-CG 4.08Å; D40-E43 WeakPolarHBondContact CB-OE2 3.29Å; D40-E43 PolarHBondContact N-OE2 3.36Å; D40-E43 PolarHBondContact O-N 2.85Å; E43-V45 VanDerWaalsContact C-N 3.31Å; E43-V45 PolarHBondContact O-N 3.34Å; E43-C46 WeakPolarHBondContact O-CB 3.23Å; E43-C46 PolarHBondContact O-N 3.47Å; E43-L47 WeakPolarHBondContact O-CB 3.42Å; E43-L47 PolarHBondContact O-N 3.39Å
44S91.3Very high90.2Very high19 Ų1962 Ų6213%0.13333%0.33CS..Hα-helixtrans-55.8-43.4173.2-60.40000112.2D40 V48D40-S44 WeakPolarHBondContact O-CB 3.32Å; D40-S44 PolarHBondContact O-N 3.05Å; D40-S44 PolarHBondContact O-OG 2.87Å; S44-V48 WeakPolarHBondContact O-CB 3.46Å; S44-V48 VanDerWaalsContact O-CG2 3.29Å; S44-V48 WeakPolarHBondContact O-CG2 3.21Å; S44-V48 PolarHBondContact O-N 3.01Å
45V91.9Very high90.2Very high12 Ų1263.5 Ų63.57%0.07334%0.339CS..Hα-helixtrans-66-42.1177.1167.10000111.6T41 Q42 E43 V48 Q49 Y94 V320T41-V45 WeakPolarHBondContact O-CB 3.45Å; T41-V45 WeakPolarHBondContact O-CG2 3.25Å; T41-V45 PolarHBondContact O-N 3.29Å; T41-V45 VanDerWaalsContact O-N 3.11Å; Q42-V45 PolarHBondContact O-N 3.16Å; E43-V45 VanDerWaalsContact C-N 3.31Å; E43-V45 PolarHBondContact O-N 3.34Å; V45-V48 PolarHBondContact O-N 2.68Å; V45-Q49 WeakPolarHBondContact O-CG 3.41Å; V45-Q49 PolarHBondContact O-N 3.47Å; V45-Y94 HydrophobicContact CG1-CE1 4.49Å; V45-Y94 HydrophobicContact CG2-CD1 4.4Å; V45-Y94 HydrophobicContact CG2-CD2 4.48Å; V45-Y94 HydrophobicContact CG2-CE1 3.96Å; V45-Y94 HydrophobicContact CG2-CE2 4.05Å; V45-V320 HydrophobicContact CG2-CB 4.39Å; V45-V320 HydrophobicContact CG2-CG1 3.64Å
46C91.1Very high90.2Very high58 Ų5863.6 Ų63.639%0.39233%0.332SS..Hα-helixtrans-63.9-45.2176.7-168.40000111.5Q42 E43 V48 Q49 Q50Q42-C46 WeakPolarHBondContact O-CB 3.25Å; Q42-C46 PolarHBondContact O-N 3.13Å; E43-C46 WeakPolarHBondContact O-CB 3.23Å; E43-C46 PolarHBondContact O-N 3.47Å; C46-V48 PolarHBondContact O-N 2.86Å; C46-Q49 PolarHBondContact O-N 3.44Å; C46-Q50 WeakPolarHBondContact O-CG 3.29Å; C46-Q50 PolarHBondContact O-N 2.98Å; C46-Q50 PolarHBondContact SG-NE2 3.01Å
47L92.5Very high90.1Very high35 Ų3569.8 Ų69.818%0.18337%0.365CS..Hα-helixtrans-60.3-44175.4178.5144.1000111.5V36 L39 E43 Q49 Q50 H51V36-L47 HydrophobicContact CG1-CD2 4.38Å; L39-L47 HydrophobicContact CD1-CD1 4.14Å; E43-L47 WeakPolarHBondContact O-CB 3.42Å; E43-L47 PolarHBondContact O-N 3.39Å; L47-Q49 PolarHBondContact O-N 2.96Å; L47-Q50 PolarHBondContact O-N 2.78Å; L47-H51 PolarHBondContact O-CD2 3.38Å; L47-H51 VanDerWaalsContact O-CD2 3.23Å; L47-H51 PolarHBondContact O-N 2.86Å
48V94.1Very high90.4Very high1 Ų166.6 Ų66.61%0.00635%0.35CS..Hα-helixtrans-60.9-43.3174.5165.80000111.6F34 V36 S44 V45 C46 H51 L52 Y94 T96 V107 C120F34-V48 HydrophobicContact CE2-CG2 4.22Å; V36-V48 HydrophobicContact CG1-CG2 4.48Å; V36-V48 HydrophobicContact CG2-CG2 3.77Å; S44-V48 WeakPolarHBondContact O-CB 3.46Å; S44-V48 VanDerWaalsContact O-CG2 3.29Å; S44-V48 WeakPolarHBondContact O-CG2 3.21Å; S44-V48 PolarHBondContact O-N 3.01Å; V45-V48 PolarHBondContact O-N 2.68Å; C46-V48 PolarHBondContact O-N 2.86Å; V48-H51 PolarHBondContact O-N 2.74Å; V48-L52 HydrophobicContact CG1-CD1 4.01Å; V48-L52 VanDerWaalsContact O-CD1 3.29Å; V48-L52 WeakPolarHBondContact O-CD1 3.34Å; V48-L52 PolarHBondContact O-N 2.99Å; V48-Y94 HydrophobicContact CG1-CE1 4.48Å; V48-T96 HydrophobicContact CG1-CG2 4.02Å; V48-V107 HydrophobicContact CG2-CG2 3.9Å; V48-C120 HydrophobicContact CG2-CB 4.26Å
49Q92.5Very high90.9Very high65 Ų6566.4 Ų66.430%0.30436%0.359SS..Hα-helixtrans-62.3-42.4176.3-73.8173.3-7.100112.3V45 C46 L47 L52 W53V45-Q49 WeakPolarHBondContact O-CG 3.41Å; V45-Q49 PolarHBondContact O-N 3.47Å; C46-Q49 PolarHBondContact O-N 3.44Å; L47-Q49 PolarHBondContact O-N 2.96Å; Q49-L52 WeakPolarHBondContact O-CB 3.48Å; Q49-L52 PolarHBondContact O-N 3.09Å; Q49-W53 PolarHBondContact O-N 3.18Å
50Q92.6Very high91.4Very high113 Ų11368.5 Ų68.553%0.52836%0.361SS..Hα-helixtrans-61.3-44.5176-69.3171.829.600112C46 L47 W53 A54C46-Q50 WeakPolarHBondContact O-CG 3.29Å; C46-Q50 PolarHBondContact O-N 2.98Å; C46-Q50 PolarHBondContact SG-NE2 3.01Å; L47-Q50 PolarHBondContact O-N 2.78Å; Q50-W53 PolarHBondContact O-N 2.91Å; Q50-A54 WeakPolarHBondContact O-CB 3.29Å; Q50-A54 PolarHBondContact O-N 3.36Å
51H93.4Very high91.6Very high73 Ų7369 Ų6934%0.33836%0.356SS..Hα-helixtrans-66.2-34.9175-79.2-68.7000113.1F34 L47 V48 A54 L55F34-H51 HydrophobicContact CD1-CB 4.33Å; F34-H51 HydrophobicContact CD2-CB 4.06Å; F34-H51 AromaticContact CD2-CD2 3.68Å; F34-H51 AromaticContact CD2-CG 3.8Å; F34-H51 HydrophobicContact CE1-CB 3.77Å; F34-H51 HydrophobicContact CE2-CB 3.46Å; F34-H51 VanDerWaalsContact CE2-CB 3.46Å; F34-H51 AromaticContact CE2-CD2 3.52Å; F34-H51 AromaticContact CE2-CG 3.6Å; F34-H51 HydrophobicContact CG-CB 4.47Å; F34-H51 HydrophobicContact CZ-CB 3.28Å; F34-H51 AromaticContact CZ-CG 3.96Å; L47-H51 PolarHBondContact O-CD2 3.38Å; L47-H51 VanDerWaalsContact O-CD2 3.23Å; L47-H51 PolarHBondContact O-N 2.86Å; V48-H51 PolarHBondContact O-N 2.74Å; H51-A54 PolarHBondContact O-N 3.38Å; H51-L55 VanDerWaalsContact O-CB 3.32Å; H51-L55 WeakPolarHBondContact O-CB 3.45Å; H51-L55 VanDerWaalsContact O-CG 3.26Å; H51-L55 WeakPolarHBondContact O-CG 3.44Å; H51-L55 PolarHBondContact O-N 3.3Å
52L93.4Very high91.9Very high5 Ų571.4 Ų71.43%0.02636%0.359CS..Hα-helixtrans-60.8-47.8173.1-100.664.8000111F34 V48 Q49 L55 Q56 T96 Q103 A105 L122F34-L52 HydrophobicContact CZ-CD1 4.27Å; V48-L52 HydrophobicContact CG1-CD1 4.01Å; V48-L52 VanDerWaalsContact O-CD1 3.29Å; V48-L52 WeakPolarHBondContact O-CD1 3.34Å; V48-L52 PolarHBondContact O-N 2.99Å; Q49-L52 WeakPolarHBondContact O-CB 3.48Å; Q49-L52 PolarHBondContact O-N 3.09Å; L52-L55 PolarHBondContact O-N 3.35Å; L52-Q56 PolarHBondContact O-N 3.3Å; L52-T96 HydrophobicContact CD2-CG2 4.15Å; L52-Q103 PolarHBondContact O-NE2 3.14Å; L52-Q103 PolarHBondContact O-OE1 3.15Å; L52-A105 HydrophobicContact CD1-CB 3.94Å; L52-A105 HydrophobicContact CD2-CB 4.36Å; L52-L122 HydrophobicContact CD1-CD1 4Å; L52-L122 HydrophobicContact CG-CD1 3.96Å
53W92.5Very high92.2Very high143 Ų14371 Ų7154%0.54236%0.363SS..Hα-helixtrans-60.8-46.1174.6-65.3-36000112.3Q49 Q50 L55 Q56Q49-W53 PolarHBondContact O-N 3.18Å; Q50-W53 PolarHBondContact O-N 2.91Å; W53-L55 PolarHBondContact O-N 3.26Å; W53-Q56 VanDerWaalsContact O-CG 3.31Å; W53-Q56 WeakPolarHBondContact O-CG 3.23Å; W53-Q56 PolarHBondContact O-N 3.31Å
54A93.5Very high92.5Very high81 Ų8165.7 Ų65.767%0.66934%0.338SS*.Hα-helixtrans-62-25.1178.800000114Q50 H51Q50-A54 WeakPolarHBondContact O-CB 3.29Å; Q50-A54 PolarHBondContact O-N 3.36Å; H51-A54 PolarHBondContact O-N 3.38Å
55L93Very high92.7Very high52 Ų5265 Ų6527%0.27233%0.333SS..THydrogen-bonded Turntrans-102.65.1-178.1-65.6172.1000114.2F34 H51 L52 W53 D57 C58 L122F34-L55 HydrophobicContact CD1-CD1 4.02Å; F34-L55 HydrophobicContact CE1-CD1 4.1Å; H51-L55 VanDerWaalsContact O-CB 3.32Å; H51-L55 WeakPolarHBondContact O-CB 3.45Å; H51-L55 VanDerWaalsContact O-CG 3.26Å; H51-L55 WeakPolarHBondContact O-CG 3.44Å; H51-L55 PolarHBondContact O-N 3.3Å; L52-L55 PolarHBondContact O-N 3.35Å; W53-L55 PolarHBondContact O-N 3.26Å; L55-D57 VanDerWaalsContact C-N 3.32Å; L55-D57 PolarHBondContact O-N 3.49Å; L55-C58 VanDerWaalsContact O-CB 3.26Å; L55-C58 WeakPolarHBondContact O-CB 3.03Å; L55-C58 PolarHBondContact O-N 3.5Å; L55-L122 HydrophobicContact CB-CD2 3.59Å; L55-L122 HydrophobicContact CD1-CD2 3.74Å; L55-L122 HydrophobicContact CG-CD2 4.32Å
56Q91.9Very high92.9Very high82 Ų8264.4 Ų64.438%0.38333%0.33SS..THydrogen-bonded Turntrans-58.3-42.6-178.177.1-171.88.600112.5L52 W53 C58 R61 A101L52-Q56 PolarHBondContact O-N 3.3Å; W53-Q56 VanDerWaalsContact O-CG 3.31Å; W53-Q56 WeakPolarHBondContact O-CG 3.23Å; W53-Q56 PolarHBondContact O-N 3.31Å; Q56-C58 VanDerWaalsContact C-N 3.33Å; Q56-R61 PolarHBondContact O-NH2 3.18Å; Q56-A101 HydrophobicContact CB-CB 4.06Å
57D89.8Confident93.1Very high133 Ų13362.7 Ų62.771%0.71132%0.315SS*.THydrogen-bonded Turntrans-91.87.8-176.3-64.2-59.1000112.6L55 S59L55-D57 VanDerWaalsContact C-N 3.32Å; L55-D57 PolarHBondContact O-N 3.49Å; D57-S59 PolarHBondContact O-N 3.45Å
58C89.5Confident93.1Very high34 Ų3461.1 Ų61.123%0.2331%0.307CS..  trans-61.6114.6179.5-172.70000110.2V31 L55 Q56 R60 R61V31-C58 HydrophobicContact CG1-CB 3.78Å; L55-C58 VanDerWaalsContact O-CB 3.26Å; L55-C58 WeakPolarHBondContact O-CB 3.03Å; L55-C58 PolarHBondContact O-N 3.5Å; Q56-C58 VanDerWaalsContact C-N 3.33Å; C58-R60 VanDerWaalsContact C-N 3.34Å; C58-R61 PolarHBondContact O-NE 2.82Å; C58-R61 PolarHBondContact O-NH2 3.35Å
59S87.9Confident93Very high118 Ų11861.6 Ų61.683%0.82531%0.31SS*.  trans-78.9-18.6-179.659.20000113.1D57 R61D57-S59 PolarHBondContact O-N 3.45Å; S59-R61 PolarHBondContact O-N 3.43Å
60R90.9Very high92.9Very high122 Ų12261.2 Ų61.246%0.4631%0.31SS..  trans-77.2106.4177.8-172.6-179.6-142.8133.616.6110.1C58 G429C58-R60 VanDerWaalsContact C-N 3.34Å; R60-G429 PolarHBondContact NH1-O 3.36Å
61R92.8Very high92.7Very high98 Ų9862 Ų6237%0.3731%0.314SS..  trans-140.3144.1-176.3-56179.5-175.6-161.3-4.1110.5Q29 Y30 Q56 C58 S59 V124Q29-R61 HydrophobicContact CB-CB 4.03Å; Y30-R61 CarbonylContact O-C 3.43Å; Y30-R61 WeakPolarHBondContact O-CA 3.37Å; Q56-R61 PolarHBondContact O-NH2 3.18Å; C58-R61 PolarHBondContact O-NE 2.82Å; C58-R61 PolarHBondContact O-NH2 3.35Å; S59-R61 PolarHBondContact O-N 3.43Å; R61-V124 HydrophobicContact CG-CG2 4.36Å
62R94.2Very high92.7Very high103 Ų10358.8 Ų58.839%0.38930%0.301SS..EExtended strand (participates in β ladder)trans-123124.5176.6-176.3178.9-177.6-178.60.8110.7Q29 Y30 V64Q29-R62 CarbonylContact C-O 3.58Å; Q29-R62 WeakPolarHBondContact CA-O 3.06Å; Y30-R62 PolarHBondContact N-O 3.26Å; Y30-R62 PolarHBondContact O-N 2.7Å; R62-V64 PolarHBondContact O-N 3.23Å
63A96Very high92.8Very high33 Ų3358.6 Ų58.627%0.27330%0.3SS..EExtended strand (participates in β ladder)trans-55.9131.7171.700000111.7F27 G78F27-A63 HydrophobicContact CE2-CB 3.85Å; F27-A63 HydrophobicContact CZ-CB 3.72Å; A63-G78 WeakPolarHBondContact O-CA 3.39Å; A63-G78 PolarHBondContact O-N 2.87Å
64V97.1Very high92.9Very high0 Ų055.9 Ų55.90%029%0.292CS..EExtended strand (participates in β ladder)trans-144.3156.4-177.5-70.40000112.3A28 R62 L66 I75 Y76 L84 F123A28-V64 HydrophobicContact CB-CG2 4.31Å; A28-V64 PolarHBondContact N-O 3.26Å; A28-V64 VanDerWaalsContact O-CG2 3.28Å; A28-V64 WeakPolarHBondContact O-CG2 3.39Å; A28-V64 PolarHBondContact O-N 3.16Å; A28-V64 VanDerWaalsContact O-O 3.1Å; R62-V64 PolarHBondContact O-N 3.23Å; V64-L66 HydrophobicContact CG2-CD1 3.78Å; V64-I75 HydrophobicContact CB-CG2 3.85Å; V64-I75 HydrophobicContact CG1-CG2 3.93Å; V64-I75 HydrophobicContact CG2-CG2 4.3Å; V64-Y76 CarbonylContact C-O 3.57Å; V64-Y76 WeakPolarHBondContact CA-O 3.19Å; V64-Y76 WeakPolarHBondContact CB-O 3.21Å; V64-Y76 WeakPolarHBondContact CG1-O 3.08Å; V64-L84 HydrophobicContact CG1-CD1 3.8Å; V64-F123 HydrophobicContact CG2-CD1 4.02Å; V64-F123 HydrophobicContact CG2-CE1 4.17Å
65I96Very high93Very high4 Ų452 Ų522%0.02126%0.26CS..EExtended strand (participates in β ladder)trans-114.7114.8171.7-59.5175.9000109.3A25 K26 K67 Y76 A269A25-I65 HydrophobicContact CB-CG2 4.19Å; K26-I65 CarbonylContact O-C 3.56Å; K26-I65 WeakPolarHBondContact O-CA 3.23Å; I65-K67 HydrophobicContact CG2-CG 4.1Å; I65-Y76 PolarHBondContact N-O 3.2Å; I65-Y76 PolarHBondContact O-N 2.86Å; I65-A269 HydrophobicContact CD1-CB 3.73Å; I65-A269 HydrophobicContact CG1-CB 4.32Å
66L96.4Very high93.2Very high0 Ų051.7 Ų51.70%026%0.255CS..EExtended strand (participates in β ladder)trans-86.8123.2175.2-73.783.5000109.4A25 K26 A28 V64 F68 L73 I75 F104 F123 L134A25-L66 CarbonylContact C-O 3.51Å; A25-L66 WeakPolarHBondContact CA-O 3.27Å; K26-L66 PolarHBondContact N-O 3.31Å; K26-L66 PolarHBondContact O-N 3.06Å; A28-L66 HydrophobicContact CB-CD1 3.61Å; V64-L66 HydrophobicContact CG2-CD1 3.78Å; L66-F68 HydrophobicContact CB-CD2 4.36Å; L66-F68 HydrophobicContact CB-CE2 3.6Å; L66-F68 HydrophobicContact CB-CZ 4.09Å; L66-F68 HydrophobicContact CD2-CE2 4.36Å; L66-F68 HydrophobicContact CD2-CZ 4Å; L66-L73 HydrophobicContact CB-CD1 4.09Å; L66-L73 HydrophobicContact CD2-CD1 4.37Å; L66-L73 HydrophobicContact CD2-CD2 4.39Å; L66-I75 HydrophobicContact CG-CG1 4.23Å; L66-F104 HydrophobicContact CD2-CD1 4.42Å; L66-F104 HydrophobicContact CD2-CE1 3.96Å; L66-F123 HydrophobicContact CD1-CD1 3.93Å; L66-F123 HydrophobicContact CD1-CE1 4.13Å; L66-F123 HydrophobicContact CD2-CD1 4.25Å; L66-F123 HydrophobicContact CD2-CE1 4.26Å; L66-F123 HydrophobicContact CD2-CG 4.43Å; L66-F123 HydrophobicContact CD2-CZ 4.48Å; L66-F123 HydrophobicContact CG-CD1 4.5Å; L66-F123 HydrophobicContact CG-CE1 4.35Å; L66-L134 HydrophobicContact CD2-CD1 4.24Å; L66-L134 HydrophobicContact CD2-CD2 4.48Å
67K94.5Very high93.3Very high21 Ų2147.8 Ų47.89%0.09124%0.237CC..EExtended strand (participates in β ladder)trans-114.6102.8-179.1-67.6-164.5-167.4169.90109.8I24 A25 I65 K74 Y76 F273I24-K67 CarbonylContact O-C 3.51Å; I24-K67 WeakPolarHBondContact O-CA 3.23Å; A25-K67 HydrophobicContact CB-CG 4.19Å; I65-K67 HydrophobicContact CG2-CG 4.1Å; K67-K74 HydrophobicContact CB-CB 4.38Å; K67-K74 PolarHBondContact N-O 3.07Å; K67-K74 PolarHBondContact O-N 3.21Å; K67-Y76 HydrophobicContact CB-CD2 4.41Å; K67-Y76 HydrophobicContact CB-CE2 4.17Å; K67-Y76 HydrophobicContact CD-CD2 3.76Å; K67-Y76 HydrophobicContact CD-CE2 3.55Å; K67-Y76 HydrophobicContact CG-CD2 3.96Å; K67-Y76 HydrophobicContact CG-CE2 4.01Å; K67-F273 VanDerWaalsContact NZ-CE2 3.32Å; K67-F273 VanDerWaalsContact NZ-CZ 3.27Å
68F94.1Very high93.4Very high2 Ų241.7 Ų41.71%0.00921%0.206CC..EExtended strand (participates in β ladder)trans-88.1135.8-176.4-62.8-98.7000111.5C23 I24 K26 L66 L73 L134 L137 L138 L290C23-F68 VanDerWaalsContact CA-O 3.31Å; C23-F68 WeakPolarHBondContact CA-O 3.41Å; C23-F68 PolarHBondContact SG-O 3.16Å; C23-F68 VanDerWaalsContact SG-O 3.41Å; I24-F68 PolarHBondContact N-O 2.92Å; I24-F68 PolarHBondContact O-N 3.02Å; K26-F68 HydrophobicContact CB-CE2 4.28Å; K26-F68 HydrophobicContact CG-CE2 4.33Å; L66-F68 HydrophobicContact CB-CD2 4.36Å; L66-F68 HydrophobicContact CB-CE2 3.6Å; L66-F68 HydrophobicContact CB-CZ 4.09Å; L66-F68 HydrophobicContact CD2-CE2 4.36Å; L66-F68 HydrophobicContact CD2-CZ 4Å; F68-L73 HydrophobicContact CD1-CD1 3.79Å; F68-L73 HydrophobicContact CD2-CD1 4.13Å; F68-L73 HydrophobicContact CE1-CD1 3.81Å; F68-L73 HydrophobicContact CE1-CD2 4.29Å; F68-L73 HydrophobicContact CE2-CD1 4.15Å; F68-L73 HydrophobicContact CG-CD1 3.95Å; F68-L73 HydrophobicContact CZ-CD1 3.98Å; F68-L134 WeakPolarHBondContact CE1-O 3.39Å; F68-L134 HydrophobicContact CE2-CD2 3.72Å; F68-L134 HydrophobicContact CZ-CB 3.98Å; F68-L134 HydrophobicContact CZ-CD2 3.74Å; F68-L134 HydrophobicContact CZ-CG 4.42Å; F68-L137 HydrophobicContact CD1-CB 3.82Å; F68-L137 HydrophobicContact CD2-CD1 4.13Å; F68-L137 HydrophobicContact CE1-CB 4.05Å; F68-L137 HydrophobicContact CE2-CD1 4.34Å; F68-L137 HydrophobicContact CG-CB 4.09Å; F68-L137 HydrophobicContact CG-CD1 4.42Å; F68-L138 HydrophobicContact CE1-CB 4.14Å; F68-L290 HydrophobicContact CB-CD2 4.01Å
69S90.8Very high93.4Very high11 Ų1146.3 Ų46.38%0.07722%0.224CC..EExtended strand (participates in β ladder)trans-155.1162.7175.370.80000111Q71 G72S69-Q71 PolarHBondContact O-N 3.22Å; S69-Q71 VanDerWaalsContact O-N 3.09Å; S69-Q71 PolarHBondContact OG-N 2.75Å; S69-G72 PolarHBondContact N-O 2.72Å; S69-G72 PolarHBondContact O-N 3.1Å; S69-G72 VanDerWaalsContact O-O 3.12Å; S69-G72 PolarHBondContact OG-N 3.22Å; S69-G72 PolarHBondContact OG-O 3.25Å
70L89.9Confident93.5Very high58 Ų5841.1 Ų41.130%0.30419%0.189SC..THydrogen-bonded Turntrans-67.8-4.5173.2-59.2-175.5000114L89 L144 L148L70-L89 WeakPolarHBondContact O-CD1 3.42Å; L70-L144 HydrophobicContact CD1-CB 4.39Å; L70-L144 HydrophobicContact CD2-CB 3.66Å; L70-L144 HydrophobicContact CD2-CD1 4.07Å; L70-L148 HydrophobicContact CD1-CD1 4.03Å
71Q89.5Confident93.3Very high129 Ų12943.1 Ų43.160%0.60320%0.204SC*.THydrogen-bonded Turntrans-88.4-25.1169.2-65.3-179.3-10.500112.2S69 A88 L89S69-Q71 PolarHBondContact O-N 3.22Å; S69-Q71 VanDerWaalsContact O-N 3.09Å; S69-Q71 PolarHBondContact OG-N 2.75Å; Q71-A88 VanDerWaalsContact O-CA 3.31Å; Q71-A88 WeakPolarHBondContact O-CA 3.23Å; Q71-L89 PolarHBondContact O-N 2.79Å
72G92.7Very high93.3Very high6 Ų642 Ų426%0.06221%0.208CC..EExtended strand (participates in β ladder)trans150.6-178.2-170.900000114.1S69 H87S69-G72 PolarHBondContact N-O 2.72Å; S69-G72 PolarHBondContact O-N 3.1Å; S69-G72 VanDerWaalsContact O-O 3.12Å; S69-G72 PolarHBondContact OG-N 3.22Å; S69-G72 PolarHBondContact OG-O 3.25Å; G72-H87 CarbonylContact C-O 3.53Å; G72-H87 WeakPolarHBondContact CA-O 3.48Å
73L94.9Very high93.3Very high1 Ų141.2 Ų41.21%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-108.3126.4178.4179.856.2000109.7L66 F68 I75 H87 I92 F106L66-L73 HydrophobicContact CB-CD1 4.09Å; L66-L73 HydrophobicContact CD2-CD1 4.37Å; L66-L73 HydrophobicContact CD2-CD2 4.39Å; F68-L73 HydrophobicContact CD1-CD1 3.79Å; F68-L73 HydrophobicContact CD2-CD1 4.13Å; F68-L73 HydrophobicContact CE1-CD1 3.81Å; F68-L73 HydrophobicContact CE1-CD2 4.29Å; F68-L73 HydrophobicContact CE2-CD1 4.15Å; F68-L73 HydrophobicContact CG-CD1 3.95Å; F68-L73 HydrophobicContact CZ-CD1 3.98Å; L73-I75 HydrophobicContact CD2-CD1 4.47Å; L73-I75 HydrophobicContact CG-CD1 4.04Å; L73-H87 PolarHBondContact N-O 3.09Å; L73-H87 PolarHBondContact O-N 3.4Å; L73-I92 HydrophobicContact CB-CD1 4.23Å; L73-F106 HydrophobicContact CD2-CD1 3.87Å; L73-F106 HydrophobicContact CD2-CE1 3.43Å; L73-F106 VanDerWaalsContact CD2-CE1 3.43Å; L73-F106 HydrophobicContact CD2-CZ 3.95Å
74K95.7Very high93.2Very high86 Ų8641.8 Ų41.837%0.37421%0.209SC..EExtended strand (participates in β ladder)trans-115.6131.7175.2-64.8179.8-175.9175.80109.7K67 Y76 L83 A86K67-K74 HydrophobicContact CB-CB 4.38Å; K67-K74 PolarHBondContact N-O 3.07Å; K67-K74 PolarHBondContact O-N 3.21Å; K74-Y76 HydrophobicContact CB-CD2 4.33Å; K74-Y76 HydrophobicContact CB-CE2 3.64Å; K74-Y76 HydrophobicContact CD-CE2 4.45Å; K74-L83 HydrophobicContact CB-CD1 3.93Å; K74-L83 HydrophobicContact CG-CD1 4.4Å; K74-A86 HydrophobicContact CG-CB 4.08Å
75I96.1Very high93.1Very high0 Ų042.7 Ų42.70%021%0.213CC..EExtended strand (participates in β ladder)trans-110.7119.6-179.6-58.591.1000107.9V64 L66 L73 L84 M85 F106 F123V64-I75 HydrophobicContact CB-CG2 3.85Å; V64-I75 HydrophobicContact CG1-CG2 3.93Å; V64-I75 HydrophobicContact CG2-CG2 4.3Å; L66-I75 HydrophobicContact CG-CG1 4.23Å; L73-I75 HydrophobicContact CD2-CD1 4.47Å; L73-I75 HydrophobicContact CG-CD1 4.04Å; I75-L84 WeakPolarHBondContact O-CA 3.27Å; I75-L84 WeakPolarHBondContact O-CB 3.46Å; I75-L84 PolarHBondContact O-N 2.87Å; I75-M85 HydrophobicContact CB-CB 4.28Å; I75-M85 HydrophobicContact CB-CE 4.32Å; I75-M85 HydrophobicContact CD1-CB 4.01Å; I75-M85 HydrophobicContact CD1-CE 4.34Å; I75-M85 HydrophobicContact CG1-CE 4.35Å; I75-M85 HydrophobicContact CG2-CE 4.31Å; I75-M85 PolarHBondContact N-O 3.07Å; I75-M85 PolarHBondContact O-N 3.2Å; I75-F106 HydrophobicContact CD1-CE1 4.47Å; I75-F106 HydrophobicContact CD1-CZ 4.12Å; I75-F123 HydrophobicContact CD1-CZ 4.48Å; I75-F123 HydrophobicContact CG1-CE1 4.16Å; I75-F123 HydrophobicContact CG1-CZ 3.98Å; I75-F123 HydrophobicContact CG2-CE1 4.1Å
76Y96Very high93Very high45 Ų4544.5 Ų44.518%0.17623%0.229CC..EExtended strand (participates in β ladder)trans-105.7163.6175.9-66-102.4000110V64 I65 K67 K74 G80 V82 L83V64-Y76 CarbonylContact C-O 3.57Å; V64-Y76 WeakPolarHBondContact CA-O 3.19Å; V64-Y76 WeakPolarHBondContact CB-O 3.21Å; V64-Y76 WeakPolarHBondContact CG1-O 3.08Å; I65-Y76 PolarHBondContact N-O 3.2Å; I65-Y76 PolarHBondContact O-N 2.86Å; K67-Y76 HydrophobicContact CB-CD2 4.41Å; K67-Y76 HydrophobicContact CB-CE2 4.17Å; K67-Y76 HydrophobicContact CD-CD2 3.76Å; K67-Y76 HydrophobicContact CD-CE2 3.55Å; K67-Y76 HydrophobicContact CG-CD2 3.96Å; K67-Y76 HydrophobicContact CG-CE2 4.01Å; K74-Y76 HydrophobicContact CB-CD2 4.33Å; K74-Y76 HydrophobicContact CB-CE2 3.64Å; K74-Y76 HydrophobicContact CD-CE2 4.45Å; Y76-G80 WeakPolarHBondContact CD1-O 3.14Å; Y76-V82 CarbonylContact C-O 3.58Å; Y76-V82 WeakPolarHBondContact CA-O 3.31Å; Y76-L83 HydrophobicContact CD1-CB 4.18Å; Y76-L83 HydrophobicContact CD1-CD1 4.33Å; Y76-L83 HydrophobicContact CD2-CD1 4.2Å; Y76-L83 HydrophobicContact CE1-CB 3.96Å; Y76-L83 HydrophobicContact CE1-CD1 3.99Å; Y76-L83 HydrophobicContact CE2-CD1 3.83Å; Y76-L83 HydrophobicContact CG-CD1 4.43Å
77S94.5Very high92.9Very high0 Ų045 Ų450%023%0.231CC..EExtended strand (participates in β ladder)trans-63.2165.6167.868.50000111.7E79 G80 V82S77-E79 WeakPolarHBondContact CB-OE2 3.32Å; S77-E79 PolarHBondContact O-N 2.83Å; S77-E79 VanDerWaalsContact O-N 3.15Å; S77-E79 PolarHBondContact OG-OE2 2.9Å; S77-G80 WeakPolarHBondContact O-CA 3.49Å; S77-G80 PolarHBondContact O-N 3.26Å; S77-V82 PolarHBondContact N-O 2.96Å; S77-V82 PolarHBondContact OG-N 2.96Å
78G91.2Very high92.8Very high5 Ų545.4 Ų45.45%0.05224%0.239CC..THydrogen-bonded Turntrans-61.3-22.1-176.400000114.3A63 G80A63-G78 WeakPolarHBondContact O-CA 3.39Å; A63-G78 PolarHBondContact O-N 2.87Å; G78-G80 VanDerWaalsContact C-N 3.34Å
79E90.8Very high92.8Very high130 Ų13045.7 Ų45.761%0.60724%0.241SC*.THydrogen-bonded Turntrans-81.9-13.3174.6-44.273.5-15700112.2S77 E81S77-E79 WeakPolarHBondContact CB-OE2 3.32Å; S77-E79 PolarHBondContact O-N 2.83Å; S77-E79 VanDerWaalsContact O-N 3.15Å; S77-E79 PolarHBondContact OG-OE2 2.9Å; E79-E81 VanDerWaalsContact C-N 3.27Å; E79-E81 HydrophobicContact CB-CG 4.47Å; E79-E81 PolarHBondContact O-N 2.76Å
80G88.6Confident92.9Very high10 Ų1048.1 Ų48.110%0.10325%0.25CC..SBendtrans83.1-12.5-179.200000115.9Y76 S77 G78Y76-G80 WeakPolarHBondContact CD1-O 3.14Å; S77-G80 WeakPolarHBondContact O-CA 3.49Å; S77-G80 PolarHBondContact O-N 3.26Å; G78-G80 VanDerWaalsContact C-N 3.34Å
81E88.1Confident93.1Very high164 Ų16447.6 Ų47.677%0.76624%0.244SC*.  trans-75.4-46.1-172.9-65-59109.600113.8E79E79-E81 VanDerWaalsContact C-N 3.27Å; E79-E81 HydrophobicContact CB-CG 4.47Å; E79-E81 PolarHBondContact O-N 2.76Å
82V92.6Very high93.4Very high75 Ų7541.4 Ų41.446%0.45522%0.215SC..SBendtrans-97.4118.5-172.5-1740000110.3Y76 S77 L84Y76-V82 CarbonylContact C-O 3.58Å; Y76-V82 WeakPolarHBondContact CA-O 3.31Å; S77-V82 PolarHBondContact N-O 2.96Å; S77-V82 PolarHBondContact OG-N 2.96Å; V82-L84 HydrophobicContact CB-CD2 4.47Å; V82-L84 HydrophobicContact CG1-CD2 4Å; V82-L84 PolarHBondContact O-N 3.39Å
83L94.7Very high93.4Very high85 Ų8543 Ų4345%0.44522%0.222SC..EExtended strand (participates in β ladder)trans-69.7120.6167.3-17969.7000109.3K74 Y76 M85 A86K74-L83 HydrophobicContact CB-CD1 3.93Å; K74-L83 HydrophobicContact CG-CD1 4.4Å; Y76-L83 HydrophobicContact CD1-CB 4.18Å; Y76-L83 HydrophobicContact CD1-CD1 4.33Å; Y76-L83 HydrophobicContact CD2-CD1 4.2Å; Y76-L83 HydrophobicContact CE1-CB 3.96Å; Y76-L83 HydrophobicContact CE1-CD1 3.99Å; Y76-L83 HydrophobicContact CE2-CD1 3.83Å; Y76-L83 HydrophobicContact CG-CD1 4.43Å; L83-M85 WeakPolarHBondContact CD1-O 3.18Å; L83-A86 HydrophobicContact CD1-CB 4.49Å; L83-A86 HydrophobicContact CD2-CB 4.44Å
84L93.4Very high93.5Very high46 Ų4643.2 Ų43.224%0.24122%0.222CC..EExtended strand (participates in β ladder)trans-95.9-47.4-179.7-56.5179.7000111.8V64 I75 V82V64-L84 HydrophobicContact CG1-CD1 3.8Å; I75-L84 WeakPolarHBondContact O-CA 3.27Å; I75-L84 WeakPolarHBondContact O-CB 3.46Å; I75-L84 PolarHBondContact O-N 2.87Å; V82-L84 HydrophobicContact CB-CD2 4.47Å; V82-L84 HydrophobicContact CG1-CD2 4Å; V82-L84 PolarHBondContact O-N 3.39Å
85M93.8Very high93.6Very high18 Ų1839.1 Ų39.19%0.08921%0.205CC..EExtended strand (participates in β ladder)trans-145.8153.4-176.3-60.5-176.7-68.400111Y30 I75 L83 F123Y30-M85 HydrophobicContact CD2-CE 4.03Å; Y30-M85 HydrophobicContact CE2-CE 3.63Å; I75-M85 HydrophobicContact CB-CB 4.28Å; I75-M85 HydrophobicContact CB-CE 4.32Å; I75-M85 HydrophobicContact CD1-CB 4.01Å; I75-M85 HydrophobicContact CD1-CE 4.34Å; I75-M85 HydrophobicContact CG1-CE 4.35Å; I75-M85 HydrophobicContact CG2-CE 4.31Å; I75-M85 PolarHBondContact N-O 3.07Å; I75-M85 PolarHBondContact O-N 3.2Å; L83-M85 WeakPolarHBondContact CD1-O 3.18Å; M85-F123 HydrophobicContact CE-CZ 4.17Å
86A94.2Very high93.6Very high43 Ų4339.3 Ų39.336%0.35521%0.206SC..EExtended strand (participates in β ladder)trans-152.2111.3179.400000112.4K74 L83K74-A86 HydrophobicContact CG-CB 4.08Å; L83-A86 HydrophobicContact CD1-CB 4.49Å; L83-A86 HydrophobicContact CD2-CB 4.44Å
87H94.5Very high93.5Very high9 Ų938.1 Ų38.14%0.04220%0.201CC..EExtended strand (participates in β ladder)trans-113.3121.3-178.9-51.5-96.8000108.9G72 L73 I92 F106 H121G72-H87 CarbonylContact C-O 3.53Å; G72-H87 WeakPolarHBondContact CA-O 3.48Å; L73-H87 PolarHBondContact N-O 3.09Å; L73-H87 PolarHBondContact O-N 3.4Å; H87-I92 HydrophobicContact CB-CD1 4.07Å; H87-I92 HydrophobicContact CB-CG1 3.84Å; H87-F106 HydrophobicContact CB-CE2 4.47Å; H87-F106 AromaticContact CD2-CE2 3.8Å; H87-F106 AromaticContact CD2-CZ 3.77Å; H87-F106 AromaticContact CG-CE2 3.92Å; H87-H121 AromaticContact CE1-CD2 4Å; H87-H121 AromaticContact CE1-CE1 3.53Å; H87-H121 AromaticContact CE1-NE2 3.17Å; H87-H121 PolarHBondContact CE1-NE2 3.46Å; H87-H121 AromaticContact ND1-NE2 3.92Å; H87-H121 AromaticContact NE2-CE1 3.88Å; H87-H121 AromaticContact NE2-NE2 3.74Å
88A93.6Very high93.4Very high31 Ų3139.4 Ų39.426%0.25621%0.208SC..EExtended strand (participates in β ladder)trans-66.5146.9167.500000109.1Q71 K90 R91Q71-A88 VanDerWaalsContact O-CA 3.31Å; Q71-A88 WeakPolarHBondContact O-CA 3.23Å; A88-K90 HydrophobicContact CB-CG 4.14Å; A88-K90 PolarHBondContact O-N 3.38Å; A88-K90 VanDerWaalsContact O-N 3.16Å; A88-R91 PolarHBondContact O-N 3.22Å
89L93.4Very high93.2Very high8 Ų841.4 Ų41.44%0.04222%0.22CC..G310 helixtrans-52.7-43.7-175.7-69.1-178.1000112L70 Q71 R91 I92 L138 F142 A145 N395L70-L89 WeakPolarHBondContact O-CD1 3.42Å; Q71-L89 PolarHBondContact O-N 2.79Å; L89-R91 PolarHBondContact O-N 2.71Å; L89-I92 HydrophobicContact CD2-CD1 4.42Å; L89-I92 PolarHBondContact O-N 2.94Å; L89-L138 HydrophobicContact CD2-CD1 4.03Å; L89-F142 HydrophobicContact CD2-CD1 4.35Å; L89-F142 HydrophobicContact CD2-CE1 4.35Å; L89-A145 HydrophobicContact CD1-CB 3.91Å; L89-N395 PolarHBondContact O-ND2 3.17Å
90K93.1Very high93.1Very high62 Ų6239.9 Ų39.927%0.2723%0.229SC..G310 helixtrans-57.9-11.6175.665.5-171.1-108.5155.80116.4A88 T397 Y398 E399 S403A88-K90 HydrophobicContact CB-CG 4.14Å; A88-K90 PolarHBondContact O-N 3.38Å; A88-K90 VanDerWaalsContact O-N 3.16Å; K90-T397 WeakPolarHBondContact CA-O 3.44Å; K90-Y398 WeakPolarHBondContact O-CD2 3.33Å; K90-E399 HydrophobicContact CB-CB 4.38Å; K90-E399 HydrophobicContact CB-CG 4.22Å; K90-E399 VanDerWaalsContact CD-OE1 3.24Å; K90-E399 WeakPolarHBondContact CD-OE1 3.47Å; K90-E399 WeakPolarHBondContact CE-OE1 3.25Å; K90-E399 WeakPolarHBondContact CE-OE2 3.26Å; K90-E399 IonicContact NZ-OE1 3.7Å; K90-E399 PolarHBondContact NZ-OE1 3.46Å; K90-E399 IonicContact NZ-OE2 2.78Å; K90-E399 PolarHBondContact NZ-OE2 3Å; K90-E399 PolarHBondContact O-N 3.03Å; K90-S403 PolarHBondContact NZ-OG 3.27Å
91R93.6Very high93.3Very high46 Ų4640.7 Ų40.717%0.17424%0.235CC..G310 helixtrans-98.5-11.3172.5-61.9-160.4-174.7121.4-4.5113.9A88 L89 A108 R109 D402A88-R91 PolarHBondContact O-N 3.22Å; L89-R91 PolarHBondContact O-N 2.71Å; R91-A108 CarbonylContact O-C 3.56Å; R91-A108 WeakPolarHBondContact O-CA 3.45Å; R91-A108 WeakPolarHBondContact O-CB 3.23Å; R91-R109 HydrophobicContact CB-CG 4.16Å; R91-R109 HydrophobicContact CG-CG 4.47Å; R91-R109 PolarHBondContact O-N 3.18Å; R91-D402 IonicContact CZ-OD1 3.46Å; R91-D402 IonicContact CZ-OD2 3.38Å; R91-D402 IonicContact NE-OD1 2.79Å; R91-D402 PolarHBondContact NE-OD1 3.45Å; R91-D402 IonicContact NE-OD2 3.26Å; R91-D402 PolarHBondContact NE-OD2 3.25Å; R91-D402 VanDerWaalsContact NH2-CG 3.28Å; R91-D402 IonicContact NH2-OD1 3.27Å; R91-D402 PolarHBondContact NH2-OD1 2.71Å; R91-D402 IonicContact NH2-OD2 2.73Å; R91-D402 PolarHBondContact NH2-OD2 3.02Å
92I95.3Very high93.6Very high0 Ų034 Ų340%021%0.206CC..EExtended strand (participates in β ladder)trans-91.2119.2178.1-51.6175000106.9L73 H87 L89 F106 V107 A108 L138 F142 N395L73-I92 HydrophobicContact CB-CD1 4.23Å; H87-I92 HydrophobicContact CB-CD1 4.07Å; H87-I92 HydrophobicContact CB-CG1 3.84Å; L89-I92 HydrophobicContact CD2-CD1 4.42Å; L89-I92 PolarHBondContact O-N 2.94Å; I92-F106 HydrophobicContact CD1-CD2 4.37Å; I92-F106 HydrophobicContact CG1-CD2 4.27Å; I92-F106 HydrophobicContact CG1-CE2 4.48Å; I92-F106 HydrophobicContact CG2-CB 3.98Å; I92-F106 HydrophobicContact CG2-CD2 3.87Å; I92-F106 HydrophobicContact CG2-CG 4.26Å; I92-V107 CarbonylContact C-O 3.58Å; I92-V107 WeakPolarHBondContact CG2-O 3.39Å; I92-A108 HydrophobicContact CB-CB 4.46Å; I92-A108 HydrophobicContact CG1-CB 4.14Å; I92-L138 HydrophobicContact CD1-CD1 3.94Å; I92-L138 HydrophobicContact CG2-CD2 4.35Å; I92-F142 HydrophobicContact CB-CE1 4.07Å; I92-F142 HydrophobicContact CB-CZ 4.24Å; I92-F142 HydrophobicContact CG2-CE1 4Å; I92-F142 HydrophobicContact CG2-CZ 3.67Å; I92-N395 WeakPolarHBondContact O-CB 3.07Å; I92-N395 PolarHBondContact O-ND2 3.38Å
93L94.4Very high93.7Very high39 Ų3930.4 Ų30.420%0.20419%0.185CC..EExtended strand (participates in β ladder)trans-88.2-44.9-177171.561.6000111.7V107 L118 L394 N395 Y398L93-V107 PolarHBondContact N-O 3.47Å; L93-L118 HydrophobicContact CD2-CD1 3.67Å; L93-L118 HydrophobicContact CD2-CD2 4.19Å; L93-L394 HydrophobicContact CD1-CD2 4.28Å; L93-L394 HydrophobicContact CG-CD2 4.43Å; L93-L394 CarbonylContact O-C 3.53Å; L93-L394 WeakPolarHBondContact O-CA 3.34Å; L93-N395 PolarHBondContact O-N 2.89Å; L93-Y398 HydrophobicContact CB-CD2 3.83Å; L93-Y398 HydrophobicContact CB-CE2 3.85Å; L93-Y398 HydrophobicContact CB-CG 4.18Å; L93-Y398 HydrophobicContact CD1-CD1 3.65Å; L93-Y398 HydrophobicContact CD1-CD2 4.36Å; L93-Y398 HydrophobicContact CD1-CE1 3.99Å; L93-Y398 HydrophobicContact CD1-CG 3.84Å
94Y96.1Very high93.8Very high5 Ų526.4 Ų26.42%0.0216%0.164CC..EExtended strand (participates in β ladder)trans-142.7145.9-168.5178.7-120.5000110.6V45 V48 T96 F106 V107 V320 R393 L394V45-Y94 HydrophobicContact CG1-CE1 4.49Å; V45-Y94 HydrophobicContact CG2-CD1 4.4Å; V45-Y94 HydrophobicContact CG2-CD2 4.48Å; V45-Y94 HydrophobicContact CG2-CE1 3.96Å; V45-Y94 HydrophobicContact CG2-CE2 4.05Å; V48-Y94 HydrophobicContact CG1-CE1 4.48Å; Y94-T96 HydrophobicContact CD1-CG2 4.44Å; Y94-T96 HydrophobicContact CE1-CG2 3.8Å; Y94-F106 CarbonylContact O-C 3.54Å; Y94-F106 VanDerWaalsContact O-CA 3.24Å; Y94-F106 WeakPolarHBondContact O-CA 3.46Å; Y94-F106 WeakPolarHBondContact O-CB 3.49Å; Y94-V107 HydrophobicContact CD1-CG2 4Å; Y94-V107 PolarHBondContact N-O 3.14Å; Y94-V107 PolarHBondContact O-N 3.44Å; Y94-V320 HydrophobicContact CD2-CG1 4.04Å; Y94-V320 HydrophobicContact CE2-CG1 3.61Å; Y94-V320 HydrophobicContact CE2-CG2 4.25Å; Y94-R393 VanDerWaalsContact CD2-O 3.27Å; Y94-R393 WeakPolarHBondContact CD2-O 2.99Å; Y94-L394 HydrophobicContact CD2-CD2 3.97Å; Y94-L394 HydrophobicContact CG-CD2 4.47Å
95A97.3Very high94.1Very high0 Ų024.2 Ų24.20%015%0.152CC..EExtended strand (participates in β ladder)trans-130.2139.3171.400000109.6Y135 L138 F142 G392 R393A95-Y135 HydrophobicContact CB-CD2 4.49Å; A95-L138 HydrophobicContact CB-CD2 3.66Å; A95-L138 HydrophobicContact CB-CG 4.1Å; A95-F142 HydrophobicContact CB-CE2 3.79Å; A95-F142 HydrophobicContact CB-CZ 4.09Å; A95-G392 CarbonylContact O-C 3.53Å; A95-G392 WeakPolarHBondContact O-CA 3.33Å; A95-R393 PolarHBondContact N-O 2.77Å; A95-R393 PolarHBondContact O-N 2.56Å
96T96.1Very high94.2Very high4 Ų423.3 Ų23.33%0.02515%0.148CC..EExtended strand (participates in β ladder)trans-149160.2-177.5-168.50000110.7V48 L52 Y94 A105V48-T96 HydrophobicContact CG1-CG2 4.02Å; L52-T96 HydrophobicContact CD2-CG2 4.15Å; Y94-T96 HydrophobicContact CD1-CG2 4.44Å; Y94-T96 HydrophobicContact CE1-CG2 3.8Å; T96-A105 HydrophobicContact CG2-CB 4.06Å; T96-A105 PolarHBondContact N-O 3.36Å; T96-A105 PolarHBondContact O-N 3.21Å
97W94.6Very high94.3Very high20 Ų2021.5 Ų21.58%0.07613%0.132CC..EExtended strand (participates in β ladder)trans-146.1162.3171.773-57.8000111.4P99 Q103 I131 N132 Y135 M391W97-P99 HydrophobicContact CE3-CB 4.07Å; W97-P99 HydrophobicContact CH2-CB 3.87Å; W97-P99 HydrophobicContact CH2-CG 4.34Å; W97-P99 HydrophobicContact CZ3-CB 3.57Å; W97-P99 HydrophobicContact CZ3-CG 4.32Å; W97-Q103 CarbonylContact C-O 3.46Å; W97-Q103 VanDerWaalsContact CA-O 3.22Å; W97-Q103 WeakPolarHBondContact CA-O 3.45Å; W97-Q103 VanDerWaalsContact CB-O 3.24Å; W97-Q103 WeakPolarHBondContact CB-O 3.28Å; W97-I131 HydrophobicContact CB-CG2 4.35Å; W97-I131 HydrophobicContact CE3-CG2 4Å; W97-N132 HydrophobicContact CE3-CB 4.24Å; W97-N132 HydrophobicContact CH2-CB 3.54Å; W97-N132 WeakPolarHBondContact CH2-OD1 3.19Å; W97-N132 HydrophobicContact CZ2-CB 4.2Å; W97-N132 VanDerWaalsContact CZ2-OD1 3.27Å; W97-N132 WeakPolarHBondContact CZ2-OD1 3.4Å; W97-N132 HydrophobicContact CZ3-CB 3.55Å; W97-Y135 HydrophobicContact CB-CD2 4.43Å; W97-Y135 HydrophobicContact CB-CG 4.24Å; W97-Y135 AromaticContact CD1-CD1 3.31Å; W97-Y135 AromaticContact CD1-CD2 3.65Å; W97-Y135 AromaticContact CD1-CE1 3.54Å; W97-Y135 AromaticContact CD1-CE2 3.87Å; W97-Y135 AromaticContact CD1-CG 3.35Å; W97-Y135 AromaticContact CD1-CZ 3.81Å; W97-Y135 HydrophobicContact CD2-CD1 4.42Å; W97-Y135 HydrophobicContact CG-CD1 4.03Å; W97-Y135 HydrophobicContact CG-CD2 4.28Å; W97-Y135 AromaticContact CG-CG 3.83Å; W97-Y135 HydrophobicContact CG-CG 3.83Å; W97-Y135 AromaticContact NE1-CD1 3.3Å; W97-Y135 VanDerWaalsContact NE1-CD1 3.3Å; W97-Y135 AromaticContact NE1-CE1 3.36Å; W97-Y135 AromaticContact NE1-CG 3.88Å; W97-Y135 AromaticContact NE1-CZ 3.98Å; W97-M391 VanDerWaalsContact CD1-O 3.25Å; W97-M391 HydrophobicContact CZ2-CE 3.8Å; W97-M391 PolarHBondContact N-O 2.84Å
98N91.8Very high94.3Very high28 Ų2821.1 Ų21.115%0.1513%0.13CC..EExtended strand (participates in β ladder)trans-129.7104.5173.1170.36.7000107.6A100 A101 C102 Q103N98-A100 VanDerWaalsContact C-N 3.32Å; N98-A100 PolarHBondContact O-N 3.28Å; N98-A100 PolarHBondContact OD1-N 3.4Å; N98-A100 VanDerWaalsContact OD1-N 3.17Å; N98-A101 VanDerWaalsContact ND2-CB 3.33Å; N98-A101 WeakPolarHBondContact ND2-CB 3.3Å; N98-A101 PolarHBondContact O-N 3.42Å; N98-A101 PolarHBondContact OD1-N 2.83Å; N98-C102 PolarHBondContact O-N 2.94Å; N98-Q103 HydrophobicContact CB-CB 4.23Å; N98-Q103 PolarHBondContact N-O 3.31Å; N98-Q103 PolarHBondContact ND2-OE1 3.13Å; N98-Q103 PolarHBondContact O-N 2.9Å
99P87.8Confident94.2Very high46 Ų4619.6 Ų19.630%0.29912%0.118SC..THydrogen-bonded Turntrans-62-37.6-177.820.2-30.2000112.7W97 A101 C102 P128W97-P99 HydrophobicContact CE3-CB 4.07Å; W97-P99 HydrophobicContact CH2-CB 3.87Å; W97-P99 HydrophobicContact CH2-CG 4.34Å; W97-P99 HydrophobicContact CZ3-CB 3.57Å; W97-P99 HydrophobicContact CZ3-CG 4.32Å; P99-A101 VanDerWaalsContact C-N 3.34Å; P99-A101 PolarHBondContact O-N 3.44Å; P99-C102 PolarHBondContact O-N 3.29Å; P99-C102 VanDerWaalsContact O-N 3.13Å; P99-P128 HydrophobicContact CB-CB 4.46Å
100A88.8Confident94Very high98 Ų9820 Ų2081%0.8112%0.12SC*.THydrogen-bonded Turntrans-65.3-36.1-175.600000112.6N98N98-A100 VanDerWaalsContact C-N 3.32Å; N98-A100 PolarHBondContact O-N 3.28Å; N98-A100 PolarHBondContact OD1-N 3.4Å; N98-A100 VanDerWaalsContact OD1-N 3.17Å
101A92Very high93.5Very high27 Ų2720.3 Ų20.322%0.22313%0.129CC..THydrogen-bonded Turntrans-93.12.9175.800000113.8Q56 N98 P99 Q103Q56-A101 HydrophobicContact CB-CB 4.06Å; N98-A101 VanDerWaalsContact ND2-CB 3.33Å; N98-A101 WeakPolarHBondContact ND2-CB 3.3Å; N98-A101 PolarHBondContact O-N 3.42Å; N98-A101 PolarHBondContact OD1-N 2.83Å; P99-A101 VanDerWaalsContact C-N 3.34Å; P99-A101 PolarHBondContact O-N 3.44Å; A101-Q103 VanDerWaalsContact C-N 3.26Å; A101-Q103 HydrophobicContact CB-CB 4.43Å; A101-Q103 HydrophobicContact CB-CG 3.78Å; A101-Q103 PolarHBondContact O-N 2.85Å
102C94.6Very high92.9Very high24 Ų2429.2 Ų29.216%0.16216%0.162CC..THydrogen-bonded Turntrans4945.4-170-60.30000112.6N98 P99 V124 G125 P128 I131N98-C102 PolarHBondContact O-N 2.94Å; P99-C102 PolarHBondContact O-N 3.29Å; P99-C102 VanDerWaalsContact O-N 3.13Å; C102-V124 WeakPolarHBondContact O-CA 3.49Å; C102-V124 WeakPolarHBondContact O-CB 3.3Å; C102-G125 PolarHBondContact O-N 2.71Å; C102-G125 VanDerWaalsContact O-N 3.1Å; C102-P128 VanDerWaalsContact SG-CD 3.55Å; C102-I131 WeakPolarHBondContact O-CG1 3.15Å
103Q95.8Very high92.1Very high0 Ų030.4 Ų30.40%017%0.171CC..EExtended strand (participates in β ladder)trans-109.7137.6-177.3-74.8173.1-29.900112.4L52 W97 N98 A101 L122 F123 V124 I131L52-Q103 PolarHBondContact O-NE2 3.14Å; L52-Q103 PolarHBondContact O-OE1 3.15Å; W97-Q103 CarbonylContact C-O 3.46Å; W97-Q103 VanDerWaalsContact CA-O 3.22Å; W97-Q103 WeakPolarHBondContact CA-O 3.45Å; W97-Q103 VanDerWaalsContact CB-O 3.24Å; W97-Q103 WeakPolarHBondContact CB-O 3.28Å; N98-Q103 HydrophobicContact CB-CB 4.23Å; N98-Q103 PolarHBondContact N-O 3.31Å; N98-Q103 PolarHBondContact ND2-OE1 3.13Å; N98-Q103 PolarHBondContact O-N 2.9Å; A101-Q103 VanDerWaalsContact C-N 3.26Å; A101-Q103 HydrophobicContact CB-CB 4.43Å; A101-Q103 HydrophobicContact CB-CG 3.78Å; A101-Q103 PolarHBondContact O-N 2.85Å; Q103-L122 HydrophobicContact CB-CD1 4.08Å; Q103-L122 HydrophobicContact CG-CD1 4.09Å; Q103-F123 CarbonylContact C-O 3.52Å; Q103-F123 WeakPolarHBondContact CA-O 3.37Å; Q103-V124 HydrophobicContact CB-CG1 4.42Å; Q103-V124 HydrophobicContact CG-CG1 3.64Å; Q103-I131 WeakPolarHBondContact O-CG2 3.48Å
104F96.8Very high91.4Very high0 Ų032 Ų320%018%0.184CC..EExtended strand (participates in β ladder)trans-125.6137.3166.7158.6-110.1000109L66 F106 F123 I131 L134 L138L66-F104 HydrophobicContact CD2-CD1 4.42Å; L66-F104 HydrophobicContact CD2-CE1 3.96Å; F104-F106 HydrophobicContact CE1-CD1 4.07Å; F104-F106 HydrophobicContact CZ-CD1 4.01Å; F104-F123 HydrophobicContact CD1-CB 4.27Å; F104-F123 AromaticContact CD1-CD2 3.99Å; F104-F123 HydrophobicContact CD1-CD2 3.99Å; F104-F123 HydrophobicContact CD1-CG 4.37Å; F104-F123 HydrophobicContact CE1-CD2 4.24Å; F104-F123 PolarHBondContact N-O 2.78Å; F104-F123 PolarHBondContact O-N 3.21Å; F104-F123 VanDerWaalsContact O-O 3.12Å; F104-I131 HydrophobicContact CB-CD1 4.31Å; F104-I131 HydrophobicContact CB-CG2 3.64Å; F104-L134 HydrophobicContact CB-CB 4.37Å; F104-L134 HydrophobicContact CB-CD1 4.21Å; F104-L134 HydrophobicContact CD1-CB 3.67Å; F104-L134 HydrophobicContact CD1-CD1 3.62Å; F104-L134 HydrophobicContact CD1-CG 4.3Å; F104-L134 HydrophobicContact CD2-CB 4.27Å; F104-L134 HydrophobicContact CE1-CB 3.93Å; F104-L134 HydrophobicContact CE1-CD1 4.33Å; F104-L134 HydrophobicContact CE2-CB 4.5Å; F104-L134 HydrophobicContact CG-CB 3.85Å; F104-L134 HydrophobicContact CG-CD1 4.17Å; F104-L134 HydrophobicContact CZ-CB 4.33Å; F104-L138 HydrophobicContact CE2-CB 4.5Å; F104-L138 HydrophobicContact CE2-CD2 4.07Å; F104-L138 HydrophobicContact CZ-CB 4.32Å; F104-L138 HydrophobicContact CZ-CD2 3.7Å
105A97.7Very high90.5Very high0 Ų033.2 Ų33.20%019%0.194CC..EExtended strand (participates in β ladder)trans-140.3153.3177.400000112.2L52 T96 H121 L122L52-A105 HydrophobicContact CD1-CB 3.94Å; L52-A105 HydrophobicContact CD2-CB 4.36Å; T96-A105 HydrophobicContact CG2-CB 4.06Å; T96-A105 PolarHBondContact N-O 3.36Å; T96-A105 PolarHBondContact O-N 3.21Å; A105-H121 VanDerWaalsContact CA-O 3.26Å; A105-H121 WeakPolarHBondContact CA-O 3.4Å; A105-L122 HydrophobicContact CB-CD1 4.07Å
106F97.5Very high89.6Confident0 Ų035.5 Ų35.50%021%0.211CC..EExtended strand (participates in β ladder)trans-137.4144.5168.468.1-94.1000110.7L73 I75 H87 I92 Y94 F104 A108 C120 H121 F123 L138L73-F106 HydrophobicContact CD2-CD1 3.87Å; L73-F106 HydrophobicContact CD2-CE1 3.43Å; L73-F106 VanDerWaalsContact CD2-CE1 3.43Å; L73-F106 HydrophobicContact CD2-CZ 3.95Å; I75-F106 HydrophobicContact CD1-CE1 4.47Å; I75-F106 HydrophobicContact CD1-CZ 4.12Å; H87-F106 HydrophobicContact CB-CE2 4.47Å; H87-F106 AromaticContact CD2-CE2 3.8Å; H87-F106 AromaticContact CD2-CZ 3.77Å; H87-F106 AromaticContact CG-CE2 3.92Å; I92-F106 HydrophobicContact CD1-CD2 4.37Å; I92-F106 HydrophobicContact CG1-CD2 4.27Å; I92-F106 HydrophobicContact CG1-CE2 4.48Å; I92-F106 HydrophobicContact CG2-CB 3.98Å; I92-F106 HydrophobicContact CG2-CD2 3.87Å; I92-F106 HydrophobicContact CG2-CG 4.26Å; Y94-F106 CarbonylContact O-C 3.54Å; Y94-F106 VanDerWaalsContact O-CA 3.24Å; Y94-F106 WeakPolarHBondContact O-CA 3.46Å; Y94-F106 WeakPolarHBondContact O-CB 3.49Å; F104-F106 HydrophobicContact CE1-CD1 4.07Å; F104-F106 HydrophobicContact CZ-CD1 4.01Å; F106-A108 HydrophobicContact CD2-CB 3.98Å; F106-A108 HydrophobicContact CE2-CB 3.94Å; F106-C120 WeakPolarHBondContact O-CA 3.43Å; F106-H121 HydrophobicContact CD1-CB 4.47Å; F106-H121 AromaticContact CD2-CD2 3.78Å; F106-H121 HydrophobicContact CE1-CB 4.05Å; F106-H121 HydrophobicContact CE2-CB 4.19Å; F106-H121 AromaticContact CE2-CD2 3.25Å; F106-H121 WeakPolarHBondContact CE2-CD2 3.4Å; F106-H121 AromaticContact CE2-CG 3.92Å; F106-H121 HydrophobicContact CZ-CB 3.89Å; F106-H121 AromaticContact CZ-CD2 3.73Å; F106-H121 AromaticContact CZ-CG 3.94Å; F106-H121 PolarHBondContact N-O 2.91Å; F106-H121 PolarHBondContact O-N 2.96Å; F106-F123 AromaticContact CD1-CE2 3.99Å; F106-F123 HydrophobicContact CD1-CE2 3.99Å; F106-F123 HydrophobicContact CE1-CD2 4.47Å; F106-F123 AromaticContact CE1-CE2 3.47Å; F106-F123 HydrophobicContact CE1-CE2 3.47Å; F106-F123 VanDerWaalsContact CE1-CE2 3.47Å; F106-F123 AromaticContact CE1-CZ 3.97Å; F106-F123 HydrophobicContact CE1-CZ 3.97Å; F106-F123 HydrophobicContact CZ-CE2 4.37Å; F106-L138 HydrophobicContact CB-CD2 3.72Å; F106-L138 HydrophobicContact CD1-CD2 4.39Å; F106-L138 HydrophobicContact CG-CD2 4.18Å
107V96Very high89.1Confident5 Ų541.1 Ų41.13%0.0323%0.234CC..EExtended strand (participates in β ladder)trans-98.1126.1174.9-173.80000108.4V36 V48 I92 L93 Y94 L118 F119 C120V36-V107 HydrophobicContact CB-CG1 4.37Å; V36-V107 HydrophobicContact CG2-CG1 4.16Å; V36-V107 HydrophobicContact CG2-CG2 4.38Å; V48-V107 HydrophobicContact CG2-CG2 3.9Å; I92-V107 CarbonylContact C-O 3.58Å; I92-V107 WeakPolarHBondContact CG2-O 3.39Å; L93-V107 PolarHBondContact N-O 3.47Å; Y94-V107 HydrophobicContact CD1-CG2 4Å; Y94-V107 PolarHBondContact N-O 3.14Å; Y94-V107 PolarHBondContact O-N 3.44Å; V107-L118 HydrophobicContact CG1-CB 3.81Å; V107-L118 HydrophobicContact CG1-CD1 4.24Å; V107-L118 HydrophobicContact CG1-CD2 4.16Å; V107-L118 HydrophobicContact CG1-CG 4.3Å; V107-F119 CarbonylContact C-O 3.45Å; V107-F119 VanDerWaalsContact CA-O 3.32Å; V107-F119 WeakPolarHBondContact CA-O 3.47Å; V107-C120 HydrophobicContact CG2-CB 4.09Å
108A94.8Very high89Confident0 Ų040.7 Ų40.70%023%0.234CC..EExtended strand (participates in β ladder)trans-140.7153.3177.800000111.5R91 I92 F106 F119R91-A108 CarbonylContact O-C 3.56Å; R91-A108 WeakPolarHBondContact O-CA 3.45Å; R91-A108 WeakPolarHBondContact O-CB 3.23Å; I92-A108 HydrophobicContact CB-CB 4.46Å; I92-A108 HydrophobicContact CG1-CB 4.14Å; F106-A108 HydrophobicContact CD2-CB 3.98Å; F106-A108 HydrophobicContact CE2-CB 3.94Å; A108-F119 PolarHBondContact N-O 3.38Å; A108-F119 PolarHBondContact O-N 3.03Å
109R91.3Very high89.1Confident0 Ų041 Ų410%023%0.234CC..EExtended strand (participates in β ladder)trans-89.1153.3165.863.2173.9-177.978.50.8111R91 L118 Y398 E399 E400 Q401 D402R91-R109 HydrophobicContact CB-CG 4.16Å; R91-R109 HydrophobicContact CG-CG 4.47Å; R91-R109 PolarHBondContact O-N 3.18Å; R109-L118 HydrophobicContact CB-CD2 4.04Å; R109-Y398 WeakPolarHBondContact CD-OH 3.21Å; R109-Y398 HydrophobicContact CG-CE2 4.22Å; R109-E399 PolarHBondContact NE-O 2.75Å; R109-E399 PolarHBondContact NH2-O 3.23Å; R109-E400 WeakPolarHBondContact CD-O 3.32Å; R109-E400 VanDerWaalsContact NE-C 3.33Å; R109-E400 PolarHBondContact NE-O 3.31Å; R109-Q401 PolarHBondContact NH2-O 3.37Å; R109-D402 IonicContact CZ-OD1 3.76Å; R109-D402 VanDerWaalsContact CZ-OD1 3.31Å; R109-D402 VanDerWaalsContact NH1-CG 3.28Å; R109-D402 IonicContact NH1-OD1 2.82Å; R109-D402 PolarHBondContact NH1-OD1 3.09Å; R109-D402 IonicContact NH1-OD2 3.97Å; R109-D402 IonicContact NH2-OD1 2.74Å; R109-D402 PolarHBondContact NH2-OD1 2.99Å
110N87.8Confident89.5Confident15 Ų1538.8 Ų38.88%0.0822%0.219CC..PPolyproline II helixtrans-81.2161.4179.9-84.22.8000112.5R112 S113 F119 E422N110-R112 PolarHBondContact O-N 3.26Å; N110-S113 PolarHBondContact N-OG 2.88Å; N110-S113 PolarHBondContact O-N 2.95Å; N110-S113 PolarHBondContact O-OG 3.36Å; N110-S113 VanDerWaalsContact O-OG 3.12Å; N110-F119 HydrophobicContact CB-CD2 4.5Å; N110-F119 HydrophobicContact CB-CE2 4.34Å; N110-E422 PolarHBondContact ND2-OE1 3.45Å; N110-E422 PolarHBondContact ND2-OE2 2.82Å
111P84.4Confident89.9Confident70 Ų7034.1 Ų34.146%0.45518%0.181SC..THydrogen-bonded Turntrans-59.9124.9176.3-1729.2000110.2S113P111-S113 PolarHBondContact O-N 3Å
112R79.9Confident90.2Very high232 Ų23232.9 Ų32.988%0.87517%0.17SC*.THydrogen-bonded Turntrans6017.2-178-42.2172-172.9149.61.3115.7N110 D402N110-R112 PolarHBondContact O-N 3.26Å; R112-D402 PolarHBondContact N-OD2 3.4Å
113S79Confident90.3Very high26 Ų2631.7 Ų31.718%0.18216%0.163CC..  trans-74.8158166.969.60000110.5N110 P111 K117N110-S113 PolarHBondContact N-OG 2.88Å; N110-S113 PolarHBondContact O-N 2.95Å; N110-S113 PolarHBondContact O-OG 3.36Å; N110-S113 VanDerWaalsContact O-OG 3.12Å; P111-S113 PolarHBondContact O-N 3Å; S113-K117 PolarHBondContact OG-O 3.39Å
114P80.1Confident90.4Very high73 Ų7331.8 Ų31.847%0.47416%0.163SC..  trans-54.5154.3162.3-22.233.7000111.2S116 K117P114-S116 PolarHBondContact O-N 2.93Å; P114-K117 HydrophobicContact CB-CG 4.36Å; P114-K117 HydrophobicContact CG-CD 4.43Å; P114-K117 HydrophobicContact CG-CG 4.32Å; P114-K117 PolarHBondContact O-N 3.25Å; P114-K117 VanDerWaalsContact O-N 3.11Å
115A76.4Confident90.2Very high29 Ų2932.3 Ų32.324%0.2417%0.169CC..THydrogen-bonded Turntrans-56.3-41.2177.700000112K117 E400A115-K117 PolarHBondContact O-N 2.72Å; A115-K117 VanDerWaalsContact O-N 3.11Å; A115-E400 WeakPolarHBondContact CA-O 3.31Å; A115-E400 HydrophobicContact CB-CB 3.91Å; A115-E400 WeakPolarHBondContact CB-O 3.32Å
116S78.8Confident89.9Confident49 Ų4934.9 Ų34.934%0.34319%0.187SC..THydrogen-bonded Turntrans-70.35.9177.557.80000115.7D38 P114D38-S116 WeakPolarHBondContact OD2-CB 3.32Å; P114-S116 PolarHBondContact O-N 2.93Å
117K86.4Confident89.7Confident121 Ų12140.9 Ų40.953%0.52622%0.215SC..  trans-11382.1176.1-66.2-153.6176.6-165.20110.8S113 P114 A115S113-K117 PolarHBondContact OG-O 3.39Å; P114-K117 HydrophobicContact CB-CG 4.36Å; P114-K117 HydrophobicContact CG-CD 4.43Å; P114-K117 HydrophobicContact CG-CG 4.32Å; P114-K117 PolarHBondContact O-N 3.25Å; P114-K117 VanDerWaalsContact O-N 3.11Å; A115-K117 PolarHBondContact O-N 2.72Å; A115-K117 VanDerWaalsContact O-N 3.11Å
118L92.3Very high89.4Confident12 Ų1243.5 Ų43.56%0.06323%0.232CC..EExtended strand (participates in β ladder)trans-93.3149.7174.6-65.7169.3000110.9P35 V36 L93 V107 R109P35-L118 WeakPolarHBondContact CA-O 3.45Å; V36-L118 HydrophobicContact CB-CB 4.02Å; V36-L118 PolarHBondContact N-O 3.09Å; L93-L118 HydrophobicContact CD2-CD1 3.67Å; L93-L118 HydrophobicContact CD2-CD2 4.19Å; V107-L118 HydrophobicContact CG1-CB 3.81Å; V107-L118 HydrophobicContact CG1-CD1 4.24Å; V107-L118 HydrophobicContact CG1-CD2 4.16Å; V107-L118 HydrophobicContact CG1-CG 4.3Å; R109-L118 HydrophobicContact CB-CD2 4.04Å
119F93.6Very high89.2Confident33 Ų3345 Ų4515%0.14525%0.247CC..EExtended strand (participates in β ladder)trans-130.1134.3172.1-63.5-83.7000109.3F34 P35 V107 A108 N110F34-F119 CarbonylContact O-C 3.59Å; F34-F119 WeakPolarHBondContact O-CA 3.49Å; P35-F119 HydrophobicContact CB-CD1 4.42Å; P35-F119 HydrophobicContact CB-CE1 4.35Å; V107-F119 CarbonylContact C-O 3.45Å; V107-F119 VanDerWaalsContact CA-O 3.32Å; V107-F119 WeakPolarHBondContact CA-O 3.47Å; A108-F119 PolarHBondContact N-O 3.38Å; A108-F119 PolarHBondContact O-N 3.03Å; N110-F119 HydrophobicContact CB-CD2 4.5Å; N110-F119 HydrophobicContact CB-CE2 4.34Å
120C96.2Very high89.2Confident0 Ų047.1 Ų47.10%026%0.257CS..EExtended strand (participates in β ladder)trans-93.4120.8169.5-171.60000109.1S33 F34 V36 V48 F106 V107S33-C120 WeakPolarHBondContact CA-O 3.48Å; S33-C120 WeakPolarHBondContact CB-O 3.24Å; F34-C120 HydrophobicContact CD1-CB 4.2Å; F34-C120 HydrophobicContact CD2-CB 3.94Å; F34-C120 HydrophobicContact CE1-CB 3.77Å; F34-C120 HydrophobicContact CE2-CB 3.47Å; F34-C120 VanDerWaalsContact CE2-CB 3.47Å; F34-C120 HydrophobicContact CG-CB 4.28Å; F34-C120 HydrophobicContact CZ-CB 3.39Å; F34-C120 WeakPolarHBondContact CZ-SG 3.48Å; F34-C120 PolarHBondContact N-O 3.1Å; F34-C120 VanDerWaalsContact N-O 3.08Å; F34-C120 PolarHBondContact O-N 2.83Å; V36-C120 HydrophobicContact CG2-CB 3.7Å; V48-C120 HydrophobicContact CG2-CB 4.26Å; F106-C120 WeakPolarHBondContact O-CA 3.43Å; V107-C120 HydrophobicContact CG2-CB 4.09Å
121H97.3Very high89.5Confident1 Ų146.4 Ų46.41%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-101.2118.2-179.6-53.3-82.5000109.5S33 H87 A105 F106 F123S33-H121 PolarHBondContact OG-ND1 2.87Å; H87-H121 AromaticContact CE1-CD2 4Å; H87-H121 AromaticContact CE1-CE1 3.53Å; H87-H121 AromaticContact CE1-NE2 3.17Å; H87-H121 PolarHBondContact CE1-NE2 3.46Å; H87-H121 AromaticContact ND1-NE2 3.92Å; H87-H121 AromaticContact NE2-CE1 3.88Å; H87-H121 AromaticContact NE2-NE2 3.74Å; A105-H121 VanDerWaalsContact CA-O 3.26Å; A105-H121 WeakPolarHBondContact CA-O 3.4Å; F106-H121 HydrophobicContact CD1-CB 4.47Å; F106-H121 AromaticContact CD2-CD2 3.78Å; F106-H121 HydrophobicContact CE1-CB 4.05Å; F106-H121 HydrophobicContact CE2-CB 4.19Å; F106-H121 AromaticContact CE2-CD2 3.25Å; F106-H121 WeakPolarHBondContact CE2-CD2 3.4Å; F106-H121 AromaticContact CE2-CG 3.92Å; F106-H121 HydrophobicContact CZ-CB 3.89Å; F106-H121 AromaticContact CZ-CD2 3.73Å; F106-H121 AromaticContact CZ-CG 3.94Å; F106-H121 PolarHBondContact N-O 2.91Å; F106-H121 PolarHBondContact O-N 2.96Å; H121-F123 HydrophobicContact CB-CE2 3.8Å; H121-F123 HydrophobicContact CB-CZ 4.29Å; H121-F123 WeakPolarHBondContact O-CE2 3.48Å
122L97.7Very high89.9Confident0 Ų044.2 Ų44.20%024%0.238CC..EExtended strand (participates in β ladder)trans-105.1132.5-172.8-179.462.3000112.7Y30 V31 G32 L52 L55 Q103 A105Y30-L122 WeakPolarHBondContact CD2-O 3.27Å; V31-L122 HydrophobicContact CB-CB 4.33Å; V31-L122 HydrophobicContact CB-CD2 4.08Å; V31-L122 HydrophobicContact CB-CG 4.04Å; V31-L122 HydrophobicContact CG1-CD2 4.15Å; V31-L122 HydrophobicContact CG2-CD2 4.27Å; V31-L122 HydrophobicContact CG2-CG 4.07Å; V31-L122 PolarHBondContact N-O 2.84Å; G32-L122 PolarHBondContact O-N 2.9Å; L52-L122 HydrophobicContact CD1-CD1 4Å; L52-L122 HydrophobicContact CG-CD1 3.96Å; L55-L122 HydrophobicContact CB-CD2 3.59Å; L55-L122 HydrophobicContact CD1-CD2 3.74Å; L55-L122 HydrophobicContact CG-CD2 4.32Å; Q103-L122 HydrophobicContact CB-CD1 4.08Å; Q103-L122 HydrophobicContact CG-CD1 4.09Å; A105-L122 HydrophobicContact CB-CD1 4.07Å
123F97.4Very high90.5Very high0 Ų033.6 Ų33.60%020%0.198CC..EExtended strand (participates in β ladder)trans-129.4151.7178.1-54.3-95.5000110.2A28 Q29 Y30 V64 L66 I75 M85 Q103 F104 F106 H121A28-F123 HydrophobicContact CB-CB 4.33Å; Q29-F123 CarbonylContact O-C 3.48Å; Q29-F123 WeakPolarHBondContact O-CA 3.2Å; Y30-F123 HydrophobicContact CD2-CD1 4.04Å; Y30-F123 AromaticContact CD2-CE1 3.61Å; Y30-F123 HydrophobicContact CD2-CE1 3.61Å; Y30-F123 HydrophobicContact CD2-CE2 4.46Å; Y30-F123 AromaticContact CD2-CZ 3.83Å; Y30-F123 HydrophobicContact CD2-CZ 3.83Å; Y30-F123 HydrophobicContact CE2-CZ 4.4Å; Y30-F123 HydrophobicContact CG-CE1 4.19Å; V64-F123 HydrophobicContact CG2-CD1 4.02Å; V64-F123 HydrophobicContact CG2-CE1 4.17Å; L66-F123 HydrophobicContact CD1-CD1 3.93Å; L66-F123 HydrophobicContact CD1-CE1 4.13Å; L66-F123 HydrophobicContact CD2-CD1 4.25Å; L66-F123 HydrophobicContact CD2-CE1 4.26Å; L66-F123 HydrophobicContact CD2-CG 4.43Å; L66-F123 HydrophobicContact CD2-CZ 4.48Å; L66-F123 HydrophobicContact CG-CD1 4.5Å; L66-F123 HydrophobicContact CG-CE1 4.35Å; I75-F123 HydrophobicContact CD1-CZ 4.48Å; I75-F123 HydrophobicContact CG1-CE1 4.16Å; I75-F123 HydrophobicContact CG1-CZ 3.98Å; I75-F123 HydrophobicContact CG2-CE1 4.1Å; M85-F123 HydrophobicContact CE-CZ 4.17Å; Q103-F123 CarbonylContact C-O 3.52Å; Q103-F123 WeakPolarHBondContact CA-O 3.37Å; F104-F123 HydrophobicContact CD1-CB 4.27Å; F104-F123 AromaticContact CD1-CD2 3.99Å; F104-F123 HydrophobicContact CD1-CD2 3.99Å; F104-F123 HydrophobicContact CD1-CG 4.37Å; F104-F123 HydrophobicContact CE1-CD2 4.24Å; F104-F123 PolarHBondContact N-O 2.78Å; F104-F123 PolarHBondContact O-N 3.21Å; F104-F123 VanDerWaalsContact O-O 3.12Å; F106-F123 AromaticContact CD1-CE2 3.99Å; F106-F123 HydrophobicContact CD1-CE2 3.99Å; F106-F123 HydrophobicContact CE1-CD2 4.47Å; F106-F123 AromaticContact CE1-CE2 3.47Å; F106-F123 HydrophobicContact CE1-CE2 3.47Å; F106-F123 VanDerWaalsContact CE1-CE2 3.47Å; F106-F123 AromaticContact CE1-CZ 3.97Å; F106-F123 HydrophobicContact CE1-CZ 3.97Å; F106-F123 HydrophobicContact CZ-CE2 4.37Å; H121-F123 HydrophobicContact CB-CE2 3.8Å; H121-F123 HydrophobicContact CB-CZ 4.29Å; H121-F123 WeakPolarHBondContact O-CE2 3.48Å
124V96.4Very high91.3Very high1 Ų132.3 Ų32.31%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-132.2154.7173.2-68.30000111.4Q29 V31 R61 C102 Q103Q29-V124 HydrophobicContact CB-CG2 4Å; Q29-V124 PolarHBondContact N-O 3.4Å; Q29-V124 PolarHBondContact O-N 3.19Å; V31-V124 HydrophobicContact CG2-CB 4.38Å; V31-V124 HydrophobicContact CG2-CG1 3.84Å; V31-V124 HydrophobicContact CG2-CG2 3.78Å; R61-V124 HydrophobicContact CG-CG2 4.36Å; C102-V124 WeakPolarHBondContact O-CA 3.49Å; C102-V124 WeakPolarHBondContact O-CB 3.3Å; Q103-V124 HydrophobicContact CB-CG1 4.42Å; Q103-V124 HydrophobicContact CG-CG1 3.64Å
125G93.7Very high92Very high12 Ų1229.2 Ų29.212%0.12417%0.168CC..  trans-125.2173.3-179.600000111.5C102C102-G125 PolarHBondContact O-N 2.71Å; C102-G125 VanDerWaalsContact O-N 3.1Å
126S91.4Very high92.9Very high53 Ų5328 Ų2837%0.37116%0.158SC..SBendtrans-84-16-179.7-57.70000111.9E130 E262S126-E130 WeakPolarHBondContact CA-OE2 3.38Å; S126-E130 WeakPolarHBondContact CB-OE2 3.36Å; S126-E130 PolarHBondContact N-OE2 2.93Å; S126-E262 PolarHBondContact OG-OE2 2.88Å
127Q92.2Very high93.6Very high126 Ų12625.6 Ų25.659%0.58914%0.141SC*.SBendtrans-146.4156174.1-55.1-177.715.500112.3G129 E130Q127-G129 VanDerWaalsContact C-N 3.35Å; Q127-G129 PolarHBondContact O-N 2.98Å; Q127-E130 HydrophobicContact CB-CG 4.26Å; Q127-E130 PolarHBondContact N-OE2 3.39Å; Q127-E130 WeakPolarHBondContact O-CB 3.28Å; Q127-E130 PolarHBondContact O-N 3.26Å
128P91.2Very high94.1Very high61 Ų6119.9 Ų19.940%0.39612%0.116SC..Hα-helixtrans-59.2-39.2-179.1-24.833.5000114P99 C102 E130 I131 N132P99-P128 HydrophobicContact CB-CB 4.46Å; C102-P128 VanDerWaalsContact SG-CD 3.55Å; P128-E130 VanDerWaalsContact C-N 3.32Å; P128-E130 PolarHBondContact O-N 2.95Å; P128-I131 WeakPolarHBondContact O-CB 3.29Å; P128-I131 PolarHBondContact O-N 3.5Å; P128-I131 VanDerWaalsContact O-N 3.08Å; P128-N132 PolarHBondContact O-N 2.93Å
129G90.4Very high94.2Very high31 Ų3119.5 Ų19.532%0.3211%0.114SC..Hα-helixtrans-65.2-30.6179.100000114Q127 I131 I133Q127-G129 VanDerWaalsContact C-N 3.35Å; Q127-G129 PolarHBondContact O-N 2.98Å; G129-I131 PolarHBondContact O-N 3.44Å; G129-I133 WeakPolarHBondContact O-CG2 3.46Å; G129-I133 PolarHBondContact O-N 3.18Å; G129-I133 VanDerWaalsContact O-N 3.11Å
130E91.2Very high94.2Very high44 Ų4418.3 Ų18.321%0.20611%0.109CC..Hα-helixtrans-64.6-22.2173.9-62.5-174.9147.100112.6S126 Q127 P128 I133 L134 Q266S126-E130 WeakPolarHBondContact CA-OE2 3.38Å; S126-E130 WeakPolarHBondContact CB-OE2 3.36Å; S126-E130 PolarHBondContact N-OE2 2.93Å; Q127-E130 HydrophobicContact CB-CG 4.26Å; Q127-E130 PolarHBondContact N-OE2 3.39Å; Q127-E130 WeakPolarHBondContact O-CB 3.28Å; Q127-E130 PolarHBondContact O-N 3.26Å; P128-E130 VanDerWaalsContact C-N 3.32Å; P128-E130 PolarHBondContact O-N 2.95Å; E130-I133 VanDerWaalsContact O-CG2 3.23Å; E130-I133 WeakPolarHBondContact O-CG2 3.47Å; E130-L134 WeakPolarHBondContact O-CG 3.39Å; E130-Q266 PolarHBondContact OE1-NE2 3.33Å
131I94Very high94.1Very high0 Ų018.4 Ų18.40%011%0.11CC..Hα-helixtrans-101.7-37.5-175.9-69.8-53.5000111.2W97 C102 Q103 F104 P128 G129 I133 L134 Y135W97-I131 HydrophobicContact CB-CG2 4.35Å; W97-I131 HydrophobicContact CE3-CG2 4Å; C102-I131 WeakPolarHBondContact O-CG1 3.15Å; Q103-I131 WeakPolarHBondContact O-CG2 3.48Å; F104-I131 HydrophobicContact CB-CD1 4.31Å; F104-I131 HydrophobicContact CB-CG2 3.64Å; P128-I131 WeakPolarHBondContact O-CB 3.29Å; P128-I131 PolarHBondContact O-N 3.5Å; P128-I131 VanDerWaalsContact O-N 3.08Å; G129-I131 PolarHBondContact O-N 3.44Å; I131-I133 VanDerWaalsContact C-N 3.26Å; I131-I133 PolarHBondContact O-N 3.35Å; I131-L134 HydrophobicContact CD1-CD1 3.51Å; I131-L134 HydrophobicContact CD1-CG 4.32Å; I131-L134 WeakPolarHBondContact O-CB 3.5Å; I131-L134 PolarHBondContact O-N 3.04Å; I131-L134 VanDerWaalsContact O-N 3.1Å; I131-Y135 PolarHBondContact O-N 3.49Å; I131-Y135 VanDerWaalsContact O-N 3.11Å
132N92.3Very high94Very high25 Ų2518.5 Ų18.513%0.13411%0.11CC..Hα-helixtrans-50.4-50.3165.7-167.924.9000110.1W97 P128 L134 Y135 L136 E294W97-N132 HydrophobicContact CE3-CB 4.24Å; W97-N132 HydrophobicContact CH2-CB 3.54Å; W97-N132 WeakPolarHBondContact CH2-OD1 3.19Å; W97-N132 HydrophobicContact CZ2-CB 4.2Å; W97-N132 VanDerWaalsContact CZ2-OD1 3.27Å; W97-N132 WeakPolarHBondContact CZ2-OD1 3.4Å; W97-N132 HydrophobicContact CZ3-CB 3.55Å; P128-N132 PolarHBondContact O-N 2.93Å; N132-L134 VanDerWaalsContact C-N 3.3Å; N132-L134 PolarHBondContact O-N 3.11Å; N132-Y135 PolarHBondContact O-N 3.38Å; N132-L136 WeakPolarHBondContact O-CB 3.29Å; N132-L136 WeakPolarHBondContact O-CG 3.38Å; N132-L136 PolarHBondContact O-N 2.87Å; N132-L136 WeakPolarHBondContact OD1-CD1 3.03Å; N132-L136 WeakPolarHBondContact OD1-CG 3.45Å; N132-E294 PolarHBondContact ND2-OE1 2.83Å
133I92.9Very high93.7Very high8 Ų818.8 Ų18.84%0.04111%0.111CC..Hα-helixtrans-63.9-28.9-179.3-165.862.9000113.5K26 G129 E130 I131 L137 E294 L297K26-I133 HydrophobicContact CD-CG2 4.34Å; K26-I133 VanDerWaalsContact CE-CG1 3.49Å; G129-I133 WeakPolarHBondContact O-CG2 3.46Å; G129-I133 PolarHBondContact O-N 3.18Å; G129-I133 VanDerWaalsContact O-N 3.11Å; E130-I133 VanDerWaalsContact O-CG2 3.23Å; E130-I133 WeakPolarHBondContact O-CG2 3.47Å; I131-I133 VanDerWaalsContact C-N 3.26Å; I131-I133 PolarHBondContact O-N 3.35Å; I133-L137 HydrophobicContact CD1-CG 4.35Å; I133-L137 HydrophobicContact CG1-CD1 4.06Å; I133-L137 HydrophobicContact CG1-CG 4.33Å; I133-L137 VanDerWaalsContact O-CB 3.22Å; I133-L137 WeakPolarHBondContact O-CB 3.31Å; I133-L137 VanDerWaalsContact O-CD1 3.31Å; I133-L137 WeakPolarHBondContact O-CD1 3.28Å; I133-L137 WeakPolarHBondContact O-CG 3.09Å; I133-L137 PolarHBondContact O-N 3.43Å; I133-E294 HydrophobicContact CD1-CB 4.19Å; I133-L297 HydrophobicContact CD1-CD1 3.34Å
134L95.5Very high93.4Very high0 Ų018.8 Ų18.80%011%0.111CC..Hα-helixtrans-67.8-49.8172.6-56.5-177.6000111.4K26 A28 L66 F68 F104 E130 I131 N132 L137 L138K26-L134 HydrophobicContact CB-CD2 3.42Å; K26-L134 VanDerWaalsContact CB-CD2 3.42Å; K26-L134 HydrophobicContact CG-CD2 3.84Å; A28-L134 HydrophobicContact CB-CD1 4.07Å; L66-L134 HydrophobicContact CD2-CD1 4.24Å; L66-L134 HydrophobicContact CD2-CD2 4.48Å; F68-L134 WeakPolarHBondContact CE1-O 3.39Å; F68-L134 HydrophobicContact CE2-CD2 3.72Å; F68-L134 HydrophobicContact CZ-CB 3.98Å; F68-L134 HydrophobicContact CZ-CD2 3.74Å; F68-L134 HydrophobicContact CZ-CG 4.42Å; F104-L134 HydrophobicContact CB-CB 4.37Å; F104-L134 HydrophobicContact CB-CD1 4.21Å; F104-L134 HydrophobicContact CD1-CB 3.67Å; F104-L134 HydrophobicContact CD1-CD1 3.62Å; F104-L134 HydrophobicContact CD1-CG 4.3Å; F104-L134 HydrophobicContact CD2-CB 4.27Å; F104-L134 HydrophobicContact CE1-CB 3.93Å; F104-L134 HydrophobicContact CE1-CD1 4.33Å; F104-L134 HydrophobicContact CE2-CB 4.5Å; F104-L134 HydrophobicContact CG-CB 3.85Å; F104-L134 HydrophobicContact CG-CD1 4.17Å; F104-L134 HydrophobicContact CZ-CB 4.33Å; E130-L134 WeakPolarHBondContact O-CG 3.39Å; I131-L134 HydrophobicContact CD1-CD1 3.51Å; I131-L134 HydrophobicContact CD1-CG 4.32Å; I131-L134 WeakPolarHBondContact O-CB 3.5Å; I131-L134 PolarHBondContact O-N 3.04Å; I131-L134 VanDerWaalsContact O-N 3.1Å; N132-L134 VanDerWaalsContact C-N 3.3Å; N132-L134 PolarHBondContact O-N 3.11Å; L134-L137 PolarHBondContact O-N 3.1Å; L134-L138 PolarHBondContact O-N 2.85Å
135Y95.6Very high93.2Very high8 Ų819.4 Ų19.43%0.03112%0.116CC..Hα-helixtrans-58.2-51178.1166-107000110.9A95 W97 I131 N132 L137 L138 C139 M391 R393A95-Y135 HydrophobicContact CB-CD2 4.49Å; W97-Y135 HydrophobicContact CB-CD2 4.43Å; W97-Y135 HydrophobicContact CB-CG 4.24Å; W97-Y135 AromaticContact CD1-CD1 3.31Å; W97-Y135 AromaticContact CD1-CD2 3.65Å; W97-Y135 AromaticContact CD1-CE1 3.54Å; W97-Y135 AromaticContact CD1-CE2 3.87Å; W97-Y135 AromaticContact CD1-CG 3.35Å; W97-Y135 AromaticContact CD1-CZ 3.81Å; W97-Y135 HydrophobicContact CD2-CD1 4.42Å; W97-Y135 HydrophobicContact CG-CD1 4.03Å; W97-Y135 HydrophobicContact CG-CD2 4.28Å; W97-Y135 AromaticContact CG-CG 3.83Å; W97-Y135 HydrophobicContact CG-CG 3.83Å; W97-Y135 AromaticContact NE1-CD1 3.3Å; W97-Y135 VanDerWaalsContact NE1-CD1 3.3Å; W97-Y135 AromaticContact NE1-CE1 3.36Å; W97-Y135 AromaticContact NE1-CG 3.88Å; W97-Y135 AromaticContact NE1-CZ 3.98Å; I131-Y135 PolarHBondContact O-N 3.49Å; I131-Y135 VanDerWaalsContact O-N 3.11Å; N132-Y135 PolarHBondContact O-N 3.38Å; Y135-L137 PolarHBondContact O-N 3.24Å; Y135-L138 PolarHBondContact O-N 3.17Å; Y135-C139 WeakPolarHBondContact CE2-SG 3.38Å; Y135-C139 PolarHBondContact O-N 2.83Å; Y135-C139 PolarHBondContact O-SG 2.9Å; Y135-M391 VanDerWaalsContact CE2-O 3.32Å; Y135-M391 WeakPolarHBondContact CE2-O 3.27Å; Y135-M391 PolarHBondContact OH-O 2.86Å; Y135-R393 WeakPolarHBondContact OH-CG 3.45Å
136L94Very high93.1Very high2 Ų219.5 Ų19.51%0.0111%0.113CC..Hα-helixtrans-62.1-42.8178.8-64.2173.5000111.9N132 L138 C139 R140 E294 L297 I301N132-L136 WeakPolarHBondContact O-CB 3.29Å; N132-L136 WeakPolarHBondContact O-CG 3.38Å; N132-L136 PolarHBondContact O-N 2.87Å; N132-L136 WeakPolarHBondContact OD1-CD1 3.03Å; N132-L136 WeakPolarHBondContact OD1-CG 3.45Å; L136-L138 VanDerWaalsContact C-N 3.32Å; L136-L138 PolarHBondContact O-N 2.92Å; L136-C139 PolarHBondContact O-N 3.5Å; L136-R140 WeakPolarHBondContact O-CB 3.5Å; L136-R140 PolarHBondContact O-N 2.96Å; L136-E294 HydrophobicContact CD1-CG 4.06Å; L136-L297 HydrophobicContact CB-CB 4.02Å; L136-L297 HydrophobicContact CB-CD1 4.23Å; L136-L297 HydrophobicContact CD1-CB 4.26Å; L136-I301 HydrophobicContact CB-CD1 3.68Å; L136-I301 HydrophobicContact CD2-CD1 3.53Å; L136-I301 HydrophobicContact CG-CD1 4.19Å; L136-I301 WeakPolarHBondContact O-CD1 3.24Å
137L94.8Very high93.1Very high0 Ų017.1 Ų17.10%010%0.096CC..Hα-helixtrans-61.7-38.3175.6-76.9168.9000112.4I24 K26 F68 I133 L134 Y135 S141 L290 L297I24-L137 HydrophobicContact CD1-CD2 3.64Å; I24-L137 HydrophobicContact CG2-CD1 3.68Å; I24-L137 HydrophobicContact CG2-CD2 4.32Å; K26-L137 HydrophobicContact CG-CD1 4.04Å; F68-L137 HydrophobicContact CD1-CB 3.82Å; F68-L137 HydrophobicContact CD2-CD1 4.13Å; F68-L137 HydrophobicContact CE1-CB 4.05Å; F68-L137 HydrophobicContact CE2-CD1 4.34Å; F68-L137 HydrophobicContact CG-CB 4.09Å; F68-L137 HydrophobicContact CG-CD1 4.42Å; I133-L137 HydrophobicContact CD1-CG 4.35Å; I133-L137 HydrophobicContact CG1-CD1 4.06Å; I133-L137 HydrophobicContact CG1-CG 4.33Å; I133-L137 VanDerWaalsContact O-CB 3.22Å; I133-L137 WeakPolarHBondContact O-CB 3.31Å; I133-L137 VanDerWaalsContact O-CD1 3.31Å; I133-L137 WeakPolarHBondContact O-CD1 3.28Å; I133-L137 WeakPolarHBondContact O-CG 3.09Å; I133-L137 PolarHBondContact O-N 3.43Å; L134-L137 PolarHBondContact O-N 3.1Å; Y135-L137 PolarHBondContact O-N 3.24Å; L137-S141 WeakPolarHBondContact O-CB 3.46Å; L137-S141 PolarHBondContact O-N 2.59Å; L137-S141 VanDerWaalsContact O-N 3.1Å; L137-S141 PolarHBondContact O-OG 3.21Å; L137-L290 HydrophobicContact CD2-CD1 4.16Å; L137-L290 HydrophobicContact CD2-CD2 3.99Å; L137-L290 HydrophobicContact CD2-CG 3.86Å; L137-L297 HydrophobicContact CD2-CD1 3.98Å; L137-L297 HydrophobicContact CG-CD1 4.17Å
138L95.8Very high92.9Very high0 Ų015.6 Ų15.60%09%0.092CC..Hα-helixtrans-71.1-49.5176.8-174.453.9000111.7F68 L89 I92 A95 F104 F106 L134 Y135 L136 R140 S141 F142F68-L138 HydrophobicContact CE1-CB 4.14Å; L89-L138 HydrophobicContact CD2-CD1 4.03Å; I92-L138 HydrophobicContact CD1-CD1 3.94Å; I92-L138 HydrophobicContact CG2-CD2 4.35Å; A95-L138 HydrophobicContact CB-CD2 3.66Å; A95-L138 HydrophobicContact CB-CG 4.1Å; F104-L138 HydrophobicContact CE2-CB 4.5Å; F104-L138 HydrophobicContact CE2-CD2 4.07Å; F104-L138 HydrophobicContact CZ-CB 4.32Å; F104-L138 HydrophobicContact CZ-CD2 3.7Å; F106-L138 HydrophobicContact CB-CD2 3.72Å; F106-L138 HydrophobicContact CD1-CD2 4.39Å; F106-L138 HydrophobicContact CG-CD2 4.18Å; L134-L138 PolarHBondContact O-N 2.85Å; Y135-L138 PolarHBondContact O-N 3.17Å; L136-L138 VanDerWaalsContact C-N 3.32Å; L136-L138 PolarHBondContact O-N 2.92Å; L138-R140 VanDerWaalsContact C-N 3.35Å; L138-R140 PolarHBondContact O-N 2.86Å; L138-S141 WeakPolarHBondContact O-CA 3.31Å; L138-S141 VanDerWaalsContact O-CB 3.28Å; L138-S141 WeakPolarHBondContact O-CB 3.47Å; L138-S141 PolarHBondContact O-N 3.34Å; L138-F142 HydrophobicContact CD1-CD1 4.25Å; L138-F142 HydrophobicContact CD1-CE1 3.49Å; L138-F142 VanDerWaalsContact CD1-CE1 3.49Å; L138-F142 HydrophobicContact CD1-CZ 3.77Å; L138-F142 HydrophobicContact CD2-CZ 3.97Å; L138-F142 HydrophobicContact CG-CE1 3.81Å; L138-F142 HydrophobicContact CG-CE2 4.16Å; L138-F142 HydrophobicContact CG-CZ 3.54Å; L138-F142 PolarHBondContact O-N 3.34Å
139C95Very high92.8Very high4 Ų417.5 Ų17.53%0.02710%0.095CC..Hα-helixtrans-59.9-42.2177.8-69.60000112.1Y135 L136 S141 F142 Q143 I301Y135-C139 WeakPolarHBondContact CE2-SG 3.38Å; Y135-C139 PolarHBondContact O-N 2.83Å; Y135-C139 PolarHBondContact O-SG 2.9Å; L136-C139 PolarHBondContact O-N 3.5Å; C139-S141 VanDerWaalsContact C-N 3.28Å; C139-S141 PolarHBondContact O-N 3.48Å; C139-F142 WeakPolarHBondContact O-CB 3.42Å; C139-F142 PolarHBondContact O-N 2.73Å; C139-Q143 WeakPolarHBondContact O-CG 3.45Å; C139-Q143 PolarHBondContact O-N 3.2Å; C139-Q143 VanDerWaalsContact O-N 3.11Å; C139-I301 HydrophobicContact CB-CD1 4.23Å; C139-I301 HydrophobicContact CB-CG2 4.13Å
140R93.6Very high92.9Very high9 Ų918.8 Ų18.83%0.0349%0.093CC..Hα-helixtrans-66-31.9174-169.760.5179.61672.3112.1L136 L138 Q143 L144 L290 L297 N300 I301 A305L136-R140 WeakPolarHBondContact O-CB 3.5Å; L136-R140 PolarHBondContact O-N 2.96Å; L138-R140 VanDerWaalsContact C-N 3.35Å; L138-R140 PolarHBondContact O-N 2.86Å; R140-Q143 PolarHBondContact O-N 3.22Å; R140-L144 HydrophobicContact CG-CD1 4.1Å; R140-L144 HydrophobicContact CG-CG 4.22Å; R140-L144 WeakPolarHBondContact O-CB 3.49Å; R140-L144 VanDerWaalsContact O-CG 3.28Å; R140-L144 WeakPolarHBondContact O-CG 3.48Å; R140-L144 PolarHBondContact O-N 2.65Å; R140-L290 HydrophobicContact CB-CD1 4.07Å; R140-L290 HydrophobicContact CG-CD1 4.16Å; R140-L297 HydrophobicContact CB-CD2 3.6Å; R140-L297 HydrophobicContact CG-CD2 3.75Å; R140-N300 PolarHBondContact NH1-O 3.16Å; R140-I301 HydrophobicContact CB-CD1 4.03Å; R140-I301 HydrophobicContact CB-CG1 4.02Å; R140-A305 PolarHBondContact NH1-O 3.46Å; R140-A305 PolarHBondContact NH2-O 2.86Å
141S93.7Very high92.7Very high1 Ų119.9 Ų19.91%0.00710%0.104CC..Hα-helixtrans-64-39.2173.5-60.80000111.9L137 L138 C139 L144 A145 L290L137-S141 WeakPolarHBondContact O-CB 3.46Å; L137-S141 PolarHBondContact O-N 2.59Å; L137-S141 VanDerWaalsContact O-N 3.1Å; L137-S141 PolarHBondContact O-OG 3.21Å; L138-S141 WeakPolarHBondContact O-CA 3.31Å; L138-S141 VanDerWaalsContact O-CB 3.28Å; L138-S141 WeakPolarHBondContact O-CB 3.47Å; L138-S141 PolarHBondContact O-N 3.34Å; C139-S141 VanDerWaalsContact C-N 3.28Å; C139-S141 PolarHBondContact O-N 3.48Å; S141-L144 PolarHBondContact O-N 3.32Å; S141-A145 WeakPolarHBondContact O-CB 3.43Å; S141-A145 PolarHBondContact O-N 3.41Å; S141-L290 WeakPolarHBondContact OG-CD1 3.47Å
142F94.8Very high92.5Very high4 Ų425.5 Ų25.52%0.01813%0.13CC..Hα-helixtrans-61.5-48.9172.2-56.7-25.7000111.9L89 I92 A95 L138 C139 L144 A145 Y146 N395L89-F142 HydrophobicContact CD2-CD1 4.35Å; L89-F142 HydrophobicContact CD2-CE1 4.35Å; I92-F142 HydrophobicContact CB-CE1 4.07Å; I92-F142 HydrophobicContact CB-CZ 4.24Å; I92-F142 HydrophobicContact CG2-CE1 4Å; I92-F142 HydrophobicContact CG2-CZ 3.67Å; A95-F142 HydrophobicContact CB-CE2 3.79Å; A95-F142 HydrophobicContact CB-CZ 4.09Å; L138-F142 HydrophobicContact CD1-CD1 4.25Å; L138-F142 HydrophobicContact CD1-CE1 3.49Å; L138-F142 VanDerWaalsContact CD1-CE1 3.49Å; L138-F142 HydrophobicContact CD1-CZ 3.77Å; L138-F142 HydrophobicContact CD2-CZ 3.97Å; L138-F142 HydrophobicContact CG-CE1 3.81Å; L138-F142 HydrophobicContact CG-CE2 4.16Å; L138-F142 HydrophobicContact CG-CZ 3.54Å; L138-F142 PolarHBondContact O-N 3.34Å; C139-F142 WeakPolarHBondContact O-CB 3.42Å; C139-F142 PolarHBondContact O-N 2.73Å; F142-L144 VanDerWaalsContact C-N 3.33Å; F142-L144 PolarHBondContact O-N 3.2Å; F142-A145 PolarHBondContact O-N 2.89Å; F142-Y146 PolarHBondContact O-N 3.34Å; F142-N395 HydrophobicContact CB-CB 4.41Å; F142-N395 HydrophobicContact CD1-CB 3.74Å; F142-N395 VanDerWaalsContact CD1-CG 3.41Å; F142-N395 HydrophobicContact CD2-CB 3.76Å; F142-N395 HydrophobicContact CE1-CB 3.8Å; F142-N395 HydrophobicContact CE2-CB 3.82Å; F142-N395 HydrophobicContact CG-CB 3.73Å; F142-N395 HydrophobicContact CZ-CB 3.85Å
143Q92.3Very high92.2Very high6 Ų626.6 Ų26.63%0.02813%0.134CC..Hα-helixtrans-59.8-42.7178.9-64.1-174.8-26.400112.1C139 R140 Y146 L147 N300 I301 F304C139-Q143 WeakPolarHBondContact O-CG 3.45Å; C139-Q143 PolarHBondContact O-N 3.2Å; C139-Q143 VanDerWaalsContact O-N 3.11Å; R140-Q143 PolarHBondContact O-N 3.22Å; Q143-Y146 PolarHBondContact O-N 3.49Å; Q143-L147 WeakPolarHBondContact O-CB 3.41Å; Q143-L147 WeakPolarHBondContact O-CD1 3.34Å; Q143-L147 VanDerWaalsContact O-CG 3.27Å; Q143-L147 WeakPolarHBondContact O-CG 3.15Å; Q143-L147 PolarHBondContact O-N 2.93Å; Q143-N300 PolarHBondContact OE1-O 3.43Å; Q143-I301 PolarHBondContact NE2-O 3.08Å; Q143-F304 HydrophobicContact CB-CD1 4.2Å; Q143-F304 HydrophobicContact CB-CE1 3.68Å; Q143-F304 HydrophobicContact CB-CZ 4.25Å; Q143-F304 HydrophobicContact CG-CD1 3.86Å; Q143-F304 HydrophobicContact CG-CE1 3.47Å; Q143-F304 VanDerWaalsContact CG-CE1 3.47Å; Q143-F304 HydrophobicContact CG-CE2 4.25Å; Q143-F304 HydrophobicContact CG-CG 4.42Å; Q143-F304 HydrophobicContact CG-CZ 3.68Å
144L91.2Very high91.7Very high0 Ų030.2 Ų30.20%015%0.147CC..Hα-helixtrans-71.6-33.5178.7-70.8-178.9000112.8L70 R140 S141 F142 L147 L148 L290L70-L144 HydrophobicContact CD1-CB 4.39Å; L70-L144 HydrophobicContact CD2-CB 3.66Å; L70-L144 HydrophobicContact CD2-CD1 4.07Å; R140-L144 HydrophobicContact CG-CD1 4.1Å; R140-L144 HydrophobicContact CG-CG 4.22Å; R140-L144 WeakPolarHBondContact O-CB 3.49Å; R140-L144 VanDerWaalsContact O-CG 3.28Å; R140-L144 WeakPolarHBondContact O-CG 3.48Å; R140-L144 PolarHBondContact O-N 2.65Å; S141-L144 PolarHBondContact O-N 3.32Å; F142-L144 VanDerWaalsContact C-N 3.33Å; F142-L144 PolarHBondContact O-N 3.2Å; L144-L147 HydrophobicContact CD2-CD1 4.32Å; L144-L148 VanDerWaalsContact O-CG 3.27Å; L144-L148 WeakPolarHBondContact O-CG 3.47Å; L144-L148 PolarHBondContact O-N 2.84Å; L144-L290 HydrophobicContact CD1-CD1 4.42Å
145A91.5Very high90.9Very high13 Ų1332.7 Ų32.711%0.10717%0.168CC..Hα-helixtrans-64.6-44.5171.500000111.2L89 S141 F142 L148 Q149 T397L89-A145 HydrophobicContact CD1-CB 3.91Å; S141-A145 WeakPolarHBondContact O-CB 3.43Å; S141-A145 PolarHBondContact O-N 3.41Å; F142-A145 PolarHBondContact O-N 2.89Å; A145-L148 WeakPolarHBondContact O-CB 3.44Å; A145-L148 PolarHBondContact O-N 2.97Å; A145-L148 VanDerWaalsContact O-N 3.1Å; A145-Q149 PolarHBondContact O-N 3.08Å; A145-Q149 VanDerWaalsContact O-N 3.09Å; A145-T397 HydrophobicContact CB-CG2 3.93Å
146Y92.6Very high89.4Confident15 Ų1539 Ų396%0.05920%0.197CC..Hα-helixtrans-61-47.2176.8-171.3-94.4000111.5F142 Q143 L148 Q149 H150 E153 L307 L315 P396 T397F142-Y146 PolarHBondContact O-N 3.34Å; Q143-Y146 PolarHBondContact O-N 3.49Å; Y146-L148 PolarHBondContact O-N 3.22Å; Y146-L148 VanDerWaalsContact O-N 3.1Å; Y146-Q149 PolarHBondContact O-N 2.79Å; Y146-H150 HydrophobicContact CD1-CB 4.44Å; Y146-H150 AromaticContact CD2-CD2 3.68Å; Y146-H150 HydrophobicContact CE1-CB 4.08Å; Y146-H150 AromaticContact CE1-CD2 3.96Å; Y146-H150 AromaticContact CE2-CD2 3.28Å; Y146-H150 WeakPolarHBondContact CE2-CD2 3.47Å; Y146-H150 AromaticContact CE2-NE2 3.75Å; Y146-H150 AromaticContact CZ-CD2 3.44Å; Y146-H150 VanDerWaalsContact CZ-CD2 3.44Å; Y146-H150 AromaticContact CZ-CG 3.9Å; Y146-H150 PolarHBondContact O-N 2.74Å; Y146-E153 WeakPolarHBondContact CE1-OE2 3.43Å; Y146-E153 VanDerWaalsContact OH-CD 3.28Å; Y146-E153 PolarHBondContact OH-OE1 2.66Å; Y146-E153 PolarHBondContact OH-OE2 3.12Å; Y146-L307 HydrophobicContact CD1-CD1 4Å; Y146-L307 HydrophobicContact CD1-CD2 4.04Å; Y146-L307 HydrophobicContact CE1-CD1 3.95Å; Y146-L307 HydrophobicContact CE1-CD2 3.93Å; Y146-L315 HydrophobicContact CD1-CD1 3.99Å; Y146-L315 HydrophobicContact CE1-CD1 3.73Å; Y146-L315 HydrophobicContact CE1-CD2 4.45Å; Y146-L315 HydrophobicContact CE1-CG 4.45Å; Y146-L315 HydrophobicContact CE2-CD1 4.36Å; Y146-L315 HydrophobicContact CE2-CD2 3.95Å; Y146-L315 HydrophobicContact CG-CD1 4.39Å; Y146-P396 HydrophobicContact CD2-CB 3.74Å; Y146-P396 HydrophobicContact CD2-CG 3.74Å; Y146-P396 HydrophobicContact CE2-CB 4.05Å; Y146-P396 HydrophobicContact CE2-CG 4.48Å; Y146-P396 HydrophobicContact CG-CB 4.49Å; Y146-P396 HydrophobicContact CG-CG 4.05Å; Y146-T397 HydrophobicContact CD2-CG2 4.13Å; Y146-T397 HydrophobicContact CG-CG2 4.47Å
147L90.3Very high87.6Confident3 Ų344.1 Ų44.12%0.01623%0.231CC..Hα-helixtrans-63.1-14.1175.4-74.6164000114.5Q143 L144 R154 G306 L307Q143-L147 WeakPolarHBondContact O-CB 3.41Å; Q143-L147 WeakPolarHBondContact O-CD1 3.34Å; Q143-L147 VanDerWaalsContact O-CG 3.27Å; Q143-L147 WeakPolarHBondContact O-CG 3.15Å; Q143-L147 PolarHBondContact O-N 2.93Å; L144-L147 HydrophobicContact CD2-CD1 4.32Å; L147-R154 HydrophobicContact CD2-CG 3.89Å; L147-R154 PolarHBondContact O-NE 3.35Å; L147-R154 PolarHBondContact O-NH2 3.44Å; L147-G306 WeakPolarHBondContact CD2-O 3.09Å; L147-L307 HydrophobicContact CD2-CD2 3.51Å; L147-L307 HydrophobicContact CD2-CG 3.89Å; L147-L307 HydrophobicContact CG-CD2 4.32Å; L147-L307 HydrophobicContact CG-CG 4.46Å
148L88.8Confident85.1Confident94 Ų9452.4 Ų52.449%0.49227%0.27SS..Hα-helixtrans-92.7-28.4172.3-73169000112.7L70 L144 A145 Y146L70-L148 HydrophobicContact CD1-CD1 4.03Å; L144-L148 VanDerWaalsContact O-CG 3.27Å; L144-L148 WeakPolarHBondContact O-CG 3.47Å; L144-L148 PolarHBondContact O-N 2.84Å; A145-L148 WeakPolarHBondContact O-CB 3.44Å; A145-L148 PolarHBondContact O-N 2.97Å; A145-L148 VanDerWaalsContact O-N 3.1Å; Y146-L148 PolarHBondContact O-N 3.22Å; Y146-L148 VanDerWaalsContact O-N 3.1Å
149Q89.6Confident82.2Confident100 Ų10057.2 Ų57.247%0.46730%0.301SS..Hα-helixtrans-80.2-34.2173.6-70.4174.9-26.600112.1A145 Y146 P151A145-Q149 PolarHBondContact O-N 3.08Å; A145-Q149 VanDerWaalsContact O-N 3.09Å; Y146-Q149 PolarHBondContact O-N 2.79Å; Q149-P151 VanDerWaalsContact C-CD 3.42Å; Q149-P151 VanDerWaalsContact O-CD 3.23Å; Q149-P151 WeakPolarHBondContact O-CD 3.39Å
150H90.9Very high79.2Confident58 Ų5861.8 Ų61.827%0.26933%0.333SS..  trans-118.571-176.4-65.9-70.7000111.9Y146 E152 E153Y146-H150 HydrophobicContact CD1-CB 4.44Å; Y146-H150 AromaticContact CD2-CD2 3.68Å; Y146-H150 HydrophobicContact CE1-CB 4.08Å; Y146-H150 AromaticContact CE1-CD2 3.96Å; Y146-H150 AromaticContact CE2-CD2 3.28Å; Y146-H150 WeakPolarHBondContact CE2-CD2 3.47Å; Y146-H150 AromaticContact CE2-NE2 3.75Å; Y146-H150 AromaticContact CZ-CD2 3.44Å; Y146-H150 VanDerWaalsContact CZ-CD2 3.44Å; Y146-H150 AromaticContact CZ-CG 3.9Å; Y146-H150 PolarHBondContact O-N 2.74Å; H150-E152 WeakPolarHBondContact CA-OE1 3.28Å; H150-E152 WeakPolarHBondContact CB-OE1 3.41Å; H150-E152 IonicContact CE1-OE1 3.65Å; H150-E152 IonicContact CG-OE1 3.8Å; H150-E152 IonicContact ND1-OE1 2.73Å; H150-E152 PolarHBondContact ND1-OE1 3.35Å; H150-E152 PolarHBondContact O-N 3.16Å; H150-E153 HydrophobicContact CB-CB 4.19Å; H150-E153 HydrophobicContact CB-CG 4.12Å; H150-E153 PolarHBondContact O-N 2.81Å
151P88.3Confident76.4Confident67 Ų6769.2 Ų69.244%0.43537%0.373SS..SBendtrans-63.2-24.7175.227.7-36000113.7Q149 R154Q149-P151 VanDerWaalsContact C-CD 3.42Å; Q149-P151 VanDerWaalsContact O-CD 3.23Å; Q149-P151 WeakPolarHBondContact O-CD 3.39Å; P151-R154 WeakPolarHBondContact O-CB 3.46Å; P151-R154 WeakPolarHBondContact O-CD 3.39Å; P151-R154 VanDerWaalsContact O-CG 3.27Å; P151-R154 WeakPolarHBondContact O-CG 3.47Å
152E89.1Confident73.7Confident119 Ų11975.2 Ų75.256%0.55641%0.409SS*.THydrogen-bonded Turntrans-71.8-30.6178.467.1-71.4166.600114H150 R154H150-E152 WeakPolarHBondContact CA-OE1 3.28Å; H150-E152 WeakPolarHBondContact CB-OE1 3.41Å; H150-E152 IonicContact CE1-OE1 3.65Å; H150-E152 IonicContact CG-OE1 3.8Å; H150-E152 IonicContact ND1-OE1 2.73Å; H150-E152 PolarHBondContact ND1-OE1 3.35Å; H150-E152 PolarHBondContact O-N 3.16Å; E152-R154 PolarHBondContact O-N 2.83Å
153E86.7Confident71.1Confident48 Ų4881.1 Ų81.122%0.22445%0.448CS..THydrogen-bonded Turntrans-82-2.5-179.2-67.2-156.3-176.900114.1Y146 H150 L307 S308 C311Y146-E153 WeakPolarHBondContact CE1-OE2 3.43Å; Y146-E153 VanDerWaalsContact OH-CD 3.28Å; Y146-E153 PolarHBondContact OH-OE1 2.66Å; Y146-E153 PolarHBondContact OH-OE2 3.12Å; H150-E153 HydrophobicContact CB-CB 4.19Å; H150-E153 HydrophobicContact CB-CG 4.12Å; H150-E153 PolarHBondContact O-N 2.81Å; E153-L307 HydrophobicContact CB-CD2 3.75Å; E153-L307 WeakPolarHBondContact O-CD2 3.19Å; E153-S308 PolarHBondContact O-N 2.88Å; E153-S308 VanDerWaalsContact O-N 3.16Å; E153-C311 HydrophobicContact CB-CB 4.16Å; E153-C311 VanDerWaalsContact CB-SG 3.59Å; E153-C311 VanDerWaalsContact CD-SG 3.54Å; E153-C311 WeakPolarHBondContact OE2-CB 3.4Å; E153-C311 PolarHBondContact OE2-SG 3.08Å
154R80.9Confident68.5Low83 Ų8384.6 Ų84.631%0.31349%0.485SS..BIsolated β-bridgetrans-59.6142179.7-68.3178.9-179.21766.6110.7L147 P151 E152 Q156 G306L147-R154 HydrophobicContact CD2-CG 3.89Å; L147-R154 PolarHBondContact O-NE 3.35Å; L147-R154 PolarHBondContact O-NH2 3.44Å; P151-R154 WeakPolarHBondContact O-CB 3.46Å; P151-R154 WeakPolarHBondContact O-CD 3.39Å; P151-R154 VanDerWaalsContact O-CG 3.27Å; P151-R154 WeakPolarHBondContact O-CG 3.47Å; E152-R154 PolarHBondContact O-N 2.83Å; R154-Q156 PolarHBondContact O-N 2.98Å; R154-G306 CarbonylContact C-O 3.55Å; R154-G306 VanDerWaalsContact CA-O 3.29Å; R154-G306 WeakPolarHBondContact CA-O 3.36Å
155A78.9Confident65.7Low52 Ų5288 Ų8843%0.4352%0.521SS..  trans-56.2113.6167.800000108.7G306A155-G306 PolarHBondContact N-O 2.93Å
156Q64.6Low63.1Low140 Ų14094.9 Ų94.965%0.65456%0.555SS**PPolyproline II helixtrans-60.7140.5168.6-63.7-60.2-30.500107.9R154 E158R154-Q156 PolarHBondContact O-N 2.98Å; Q156-E158 PolarHBondContact O-N 3.32Å; Q156-E158 VanDerWaalsContact O-N 3.16Å
157P56.3Low60.6Low111 Ų111103 Ų10372%0.72160%0.596SS**PPolyproline II helixtrans-56.7122.4160.8-15.729.6000106.9
158E42.3Very low58Low174 Ų174107.2 Ų107.281%0.81363%0.626SS**PPolyproline II helixtrans-46.9118.9174.9-80.8-62.9139.100108.5Q156 S160Q156-E158 PolarHBondContact O-N 3.32Å; Q156-E158 VanDerWaalsContact O-N 3.16Å; E158-S160 PolarHBondContact O-N 3.09Å
159P35.2Very low55.7Low100 Ų100111.3 Ų111.365%0.64965%0.647SS**  trans-65.7106-174.925.7-32.6000107.3L161P159-L161 PolarHBondContact O-N 3.34Å
160S30.8Very low53.1Low101 Ų101115.7 Ų115.771%0.70667%0.665SS**  trans-58102.4175.356.90000107.8E158 V162E158-S160 PolarHBondContact O-N 3.09Å; S160-V162 PolarHBondContact O-N 3.22Å
161L36.4Very low50.4Low164 Ų164118 Ų11886%0.85969%0.685SS**  trans-59.998.3-179.6-79.4165.2000108.4P159 P163P159-L161 PolarHBondContact O-N 3.34Å; L161-P163 WeakPolarHBondContact O-CD 3.31Å
162V36Very low47.8Very low127 Ų127122.9 Ų122.977%0.7771%0.707SS**  trans-76.9109.3171.3-1790000106.6S160 G164S160-V162 PolarHBondContact O-N 3.22Å; V162-G164 PolarHBondContact O-N 3.02Å
163P40.7Very low45Very low129 Ų129123.2 Ų123.284%0.83872%0.72SS**  trans-81.573.7-174.9-9.129.5000109.9L161L161-P163 WeakPolarHBondContact O-CD 3.31Å
164G37Very low42.6Very low78 Ų78126.4 Ų126.480%0.80475%0.748SS**  trans-90.195.1172.400000110.7V162V162-G164 PolarHBondContact O-N 3.02Å
165G33.2Very low40.5Very low73 Ų73128.6 Ų128.675%0.75377%0.773SS**  trans164.470.4-177.400000113.1
166D37.4Very low38.2Very low156 Ų156129.7 Ų129.783%0.83479%0.79SS**  trans-56.1125.7-177.6-173.710.3000114.3
167M40.3Very low36.7Very low185 Ų185129.7 Ų129.791%0.91180%0.799SS**  trans-164.4146.2143.5-107.8-72.2160.200110.6
168S35.2Very low35.4Very low92 Ų92128.6 Ų128.664%0.64380%0.799SS**  trans-115.7131-156.3178.40000115.1
169L39.4Very low34.8Very low181 Ų181125.6 Ų125.695%0.94880%0.795SS**  trans-141.8164146.8-80.6-173.6000110.4
170K34.8Very low34.4Very low191 Ų191124.7 Ų124.783%0.8380%0.796SS**  trans-129.2169.7-149.6-145-162.3175-178.40111.5
171P36Very low34.5Very low106 Ų106128.1 Ų128.169%0.68881%0.805SS**  -122.1169.7-75.439.8-28000112.9
172L32.5Very low34.3Very low171 Ų171126.3 Ų126.390%0.89580%0.801SS**  trans-163.8171149.4-110.7165.9000110.5
173C31.3Very low34.5Very low125 Ų125126 Ų12685%0.84579%0.786SS**  trans73.7128.6-178.5-60.70000117.5
174S34.6Very low34.2Very low115 Ų115126.3 Ų126.380%0.80478%0.776SS**PPolyproline II helixtrans-75157.3175.4-60.20000112G176S174-G176 PolarHBondContact O-N 2.69Å
175P37Very low34.3Very low130 Ų130126.5 Ų126.584%0.84476%0.763SS**PPolyproline II helixtrans-70128.3-164.626.9-35.5000113.4
176G31.5Very low34.6Very low75 Ų75125.4 Ų125.477%0.77374%0.738SS**PPolyproline II helixtrans-73.5135175.500000112.7S174 A178S174-G176 PolarHBondContact O-N 2.69Å; G176-A178 PolarHBondContact O-N 3.4Å
177V32.4Very low34.8Very low140 Ų140122.3 Ų122.385%0.84873%0.728SS**  trans-68.9111.5158.8176.20000106.8P179V177-P179 VanDerWaalsContact O-CD 3.23Å; V177-P179 WeakPolarHBondContact O-CD 3.22Å
178A28.8Very low34.9Very low88 Ų88124 Ų12473%0.72772%0.724SS**  trans-63.2116.617500000109.4G176 A180G176-A178 PolarHBondContact O-N 3.4Å; A178-A180 PolarHBondContact O-N 3Å
179P30.6Very low35Very low110 Ų110126.2 Ų126.271%0.71473%0.729SS**  trans-72.4101.9172.630.2-31000107.4V177 L181V177-P179 VanDerWaalsContact O-CD 3.23Å; V177-P179 WeakPolarHBondContact O-CD 3.22Å; P179-L181 PolarHBondContact O-N 3.39Å
180A27.5Very low35Very low82 Ų82126.2 Ų126.268%0.67873%0.725SS**  trans-51.5130.5157.800000107A178 V182A178-A180 PolarHBondContact O-N 3Å; A180-V182 PolarHBondContact O-N 3.1Å
181L32.9Very low35.1Very low172 Ų172125.2 Ų125.290%0.90173%0.727SS**  trans-71.373.9-176.8-69.4175.2000110.5P179 R183P179-L181 PolarHBondContact O-N 3.39Å; L181-R183 PolarHBondContact O-N 2.87Å
182V30.7Very low35Very low127 Ų127124.1 Ų124.177%0.7772%0.722SS**  trans-67.681.2162-177.60000105.8A180 E184A180-V182 PolarHBondContact O-N 3.1Å; V182-E184 PolarHBondContact O-N 3.48Å
183R41.6Very low35.3Very low121 Ų121124.7 Ų124.746%0.45772%0.72SS.*  trans-56.7106.8165178.3-170.1-86.6-157.1-5.8105.9L181 P185 E299L181-R183 PolarHBondContact O-N 2.87Å; R183-P185 VanDerWaalsContact O-CD 3.23Å; R183-P185 WeakPolarHBondContact O-CD 3.37Å; R183-P185 VanDerWaalsContact O-N 3.09Å; R183-E299 VanDerWaalsContact CD-OE2 3.25Å; R183-E299 WeakPolarHBondContact CD-OE2 3.21Å; R183-E299 IonicContact CZ-OE2 3.53Å; R183-E299 IonicContact NE-OE2 3.44Å; R183-E299 IonicContact NH1-OE2 3.47Å; R183-E299 PolarHBondContact NH1-OE2 2.88Å
184E32.5Very low35.6Very low134 Ų134125.4 Ų125.463%0.62672%0.715SS**  trans-59.2110.3174.3-170.4166.9-104.500106.9V182 R353V182-E184 PolarHBondContact O-N 3.48Å; E184-R353 IonicContact OE2-CZ 3.83Å; E184-R353 IonicContact OE2-NH1 3.99Å; E184-R353 PolarHBondContact OE2-NH1 3.05Å; E184-R353 IonicContact OE2-NH2 2.86Å
185P39.8Very low35.9Very low83 Ų83125.9 Ų125.954%0.53971%0.713SS.*  trans-68.4153.5-179.630.8-34.7000108.8R183 S187R183-P185 VanDerWaalsContact O-CD 3.23Å; R183-P185 WeakPolarHBondContact O-CD 3.37Å; R183-P185 VanDerWaalsContact O-N 3.09Å; P185-S187 PolarHBondContact O-N 3.44Å
186F40Very low35.9Very low50 Ų50127.9 Ų127.922%0.21971%0.711CS.*SBendtrans-48.2132.8-179.8-65.7-56.3000111.8R188 T298 E299 W302 L371 E372F186-R188 PolarHBondContact O-N 2.78Å; F186-R188 VanDerWaalsContact O-N 3.13Å; F186-T298 HydrophobicContact CE2-CG2 4.16Å; F186-E299 HydrophobicContact CD2-CB 4.17Å; F186-E299 HydrophobicContact CD2-CG 3.99Å; F186-E299 HydrophobicContact CE2-CB 3.47Å; F186-E299 VanDerWaalsContact CE2-CB 3.47Å; F186-E299 HydrophobicContact CE2-CG 3.82Å; F186-E299 HydrophobicContact CZ-CB 4.12Å; F186-W302 HydrophobicContact CE2-CE3 4.49Å; F186-W302 HydrophobicContact CZ-CE3 4.11Å; F186-W302 HydrophobicContact CZ-CZ3 4.21Å; F186-L371 HydrophobicContact CE1-CB 4.03Å; F186-L371 HydrophobicContact CE1-CD1 3.83Å; F186-E372 VanDerWaalsContact CB-OE1 3.31Å; F186-E372 WeakPolarHBondContact CB-OE1 3.47Å; F186-E372 VanDerWaalsContact CD1-OE1 3.23Å; F186-E372 WeakPolarHBondContact CD1-OE1 3.39Å; F186-E372 WeakPolarHBondContact CG-OE1 3.44Å
187S41.5Very low36.2Very low91 Ų91128.6 Ų128.664%0.63671%0.71SS**  trans-59.4114.6-15650.30000112.7P185 D189P185-S187 PolarHBondContact O-N 3.44Å; S187-D189 PolarHBondContact O-N 2.87Å
188R42.1Very low36.3Very low219 Ų219129.5 Ų129.583%0.82671%0.709SS**  trans-72-13.7-167.3-156.6174.3-162154.38.9114.8F186F186-R188 PolarHBondContact O-N 2.78Å; F186-R188 VanDerWaalsContact O-N 3.13Å
189D37.2Very low36.5Very low140 Ų140131.6 Ų131.675%0.74971%0.713SS**  trans-111.576.5-157.8-60.3-59.7000112.7S187S187-D189 PolarHBondContact O-N 2.87Å
190Q39.8Very low36.5Very low181 Ų181130.5 Ų130.585%0.84671%0.707SS**SBendtrans-153.41.5163.1-125.9158.5109.500118
191L36.2Very low36.7Very low170 Ų170135.2 Ų135.289%0.8971%0.713SS**SBendtrans-123.497.7179.3-71.2176.3000114.2
192S34Very low36.8Very low82 Ų82138.6 Ų138.657%0.57371%0.714SS**  trans48.9112.9155.9-156.80000119.4N194S192-N194 PolarHBondContact O-N 3.06Å; S192-N194 PolarHBondContact OG-ND2 3.29Å
193Q38.5Very low37.1Very low184 Ų184143.3 Ų143.386%0.8672%0.718SS**G310 helixtrans-64.2-1.3177.3-67169-20.100115.3V195Q193-V195 PolarHBondContact O-N 3Å
194N38.5Very low36.6Very low139 Ų139145.6 Ų145.674%0.74374%0.738SS**G310 helixtrans-79.1-7.1-169.1-70.1-31.3000115.6S192S192-N194 PolarHBondContact O-N 3.06Å; S192-N194 PolarHBondContact OG-ND2 3.29Å
195V40.4Very low36.9Very low125 Ų125144.7 Ų144.776%0.75874%0.744SS**G310 helixtrans-108.4-1.7-172.8-166.90000113.8Q193 A197Q193-V195 PolarHBondContact O-N 3Å; V195-A197 PolarHBondContact O-N 3.17Å
196H36.8Very low36.4Very low172 Ų172145.5 Ų145.580%0.79676%0.758SS**G310 helixtrans-75.2-1.6177.5-92.2-79.2000115.4L198H196-L198 PolarHBondContact O-N 2.82Å
197A39Very low36.2Very low91 Ų91152.4 Ų152.475%0.75279%0.791SS**G310 helixtrans-80.9-0-167.200000116.7V195V195-A197 PolarHBondContact O-N 3.17Å
198L35Very low35.9Very low158 Ų158151.2 Ų151.283%0.82779%0.793SS**G310 helixtrans-127.14.2-172-88.1167.7000116.4H196H196-L198 PolarHBondContact O-N 2.82Å
199V32.9Very low35.5Very low133 Ų133148.9 Ų148.981%0.80680%0.796SS**  trans-129.784.1-177.3-170.60000111.6
200S30.7Very low35.6Very low86 Ų86150.4 Ų150.460%0.60180%0.803SS**  trans-158.426.3-177.157.50000118.1
201F29.9Very low35.4Very low181 Ų181144.9 Ų144.979%0.79480%0.795SS**  trans-128.275.2-177.8-69.2-67.7000116.8
202R36.5Very low35.4Very low243 Ų243142.2 Ų142.292%0.91779%0.79SS**  trans174.593.9146.7-97.1165.5-167.6-151.63.3105.9
203R36.3Very low35.6Very low226 Ų226146 Ų14685%0.85380%0.804SS**  50.196.663.1-66.1-167.5178-172.6-1.8112.8
204L31.8Very low35.4Very low169 Ų169140.2 Ų140.289%0.88580%0.795SS**  trans-67.3143.6161.6-70.6161.2000110.5
205P37.4Very low35.6Very low115 Ų115142.3 Ų142.375%0.74780%0.797SS**  trans-82.6157147.1-2.822.8000110.4
206A30Very low35.4Very low101 Ų101144 Ų14484%0.83580%0.797SS**  trans-134125.9171.400000110
207E35.8Very low35.3Very low194 Ų194142.6 Ų142.691%0.90779%0.794SS**  trans-148.3146-179.7-59.6176.614000106.4
208G35.9Very low35.3Very low67 Ų67144 Ų14469%0.69180%0.796SS**  cis-167.1127-13.300000106.4
209L33.5Very low35.2Very low169 Ų169144 Ų14489%0.88579%0.792SS**  70.4146.497-111.278.4000116.7
210L38.1Very low35.8Very low172 Ų172142.6 Ų142.690%0.90179%0.785SS**  trans71.1132.9-178.9-8161.2000116.8
211G35.6Very low36.1Very low66 Ų66147.6 Ų147.668%0.6880%0.799SS**  cis160.6156.4-13.500000115.2
212S37Very low36.3Very low113 Ų113142.8 Ų142.879%0.7980%0.801SS**  trans60.9142.4164.3-63.10000118.4
213N37Very low36.2Very low161 Ų161143.5 Ų143.586%0.86180%0.803SS**  cis-154.2162.6-10.4-84.5-31.6000105.7
214G36.3Very low36.2Very low64 Ų64137 Ų13766%0.6681%0.807SS**  cis151.1135.2-4.700000110.9
215K41.4Very low36.8Very low183 Ų183132.7 Ų132.780%0.79680%0.802SS**  trans63.8148.1174.9-66.4166160.1-93.90115.8
216E35.9Very low37.1Very low161 Ų161134.2 Ų134.275%0.75281%0.81SS**  cis-151.2176.50.1-132.4140.1-139.900111.7
217L34.5Very low38Very low141 Ų141139.3 Ų139.374%0.73881%0.808SS**  trans-102.9140.5-176.6-178.161.2000108.5
218P40.8Very low38.7Very low121 Ų121137.1 Ų137.179%0.78680%0.797SS**  -150.4170.97240.9-19.9000120.2
219E33Very low39.2Very low158 Ų158140.5 Ų140.574%0.73880%0.798SS**  trans-44.1163.1158.6-61-72.4120.400114.1
220P43.8Very low39.7Very low103 Ų103143.3 Ų143.367%0.66980%0.797SS**  cis-131.9-169.816.144.9-29.7000115.1
221E38.1Very low39.9Very low192 Ų192143.9 Ų143.990%0.89780%0.8SS**SBendtrans52.495.2161.7-60.8-167.6123.800117.9
222G32.7Very low39.9Very low80 Ų80144.3 Ų144.383%0.82580%0.804SS**SBendtrans118.567.4152.100000119.6
223R35.7Very low40.3Very low258 Ų258146.4 Ų146.497%0.97481%0.806SS**  trans91.146.6134.7-140.2177.5-138-131.63.1121.9
224G36.7Very low40.6Very low90 Ų90144 Ų14493%0.92880%0.799SS**  123.8131.2123.300000126
225G42.7Very low40.9Very low77 Ų77152 Ų15279%0.79481%0.812SS**  trans131.2129.6139.700000124.8
226T43.9Very low41.2Very low148 Ų148149.5 Ų149.591%0.90882%0.815SS**  trans127.5170150.9-430000122.3
227R50.6Low41.6Very low208 Ų208146 Ų14679%0.78581%0.809SS**  trans-159.6-177.7-163.1-75.8-166.9154.5113.33.1114.9
228H49.5Very low42.4Very low148 Ų148144.4 Ų144.469%0.68581%0.807SS**  cis178.8-174.2-18.8-83.9-1.5000109.7
229I47.5Very low43.2Very low137 Ų137144 Ų14470%0.70380%0.802SS**  cis177165.8-23.9-86.5172.8000109.4
230R42.6Very low44.4Very low228 Ų228143.4 Ų143.486%0.8680%0.804SS**  cis-172.2179.2-33.2-82-178.9174-179.3-2.1112.4
231L41.8Very low45.4Very low184 Ų184143.7 Ų143.796%0.96380%0.803SS**  trans118.5173.9151.7-129.172.5000124.7
232G37.2Very low46.5Very low75 Ų75144.2 Ų144.277%0.77380%0.797SS**  trans-173.9-178.1-172.900000120
233N44.6Very low48.1Very low157 Ų157147.7 Ų147.784%0.8479%0.789SS**  trans-158.4159-167.4176.682.5000121
234P44.2Very low49.7Very low110 Ų110143.6 Ų143.671%0.71478%0.779SS**  trans-130.1-167.5-177.144.1-27.8000121.5
235Y41.3Very low50.9Low234 Ų234141.2 Ų141.292%0.91875%0.75SS**  trans-142.6130.5-174.6-107.9-83.7000120
236C48.4Very low52Low129 Ų129143.6 Ų143.687%0.87274%0.743SS**  trans-175.2165153.3-1650000112
237S44.3Very low53Low89 Ų89146.7 Ų146.762%0.62274%0.738SS**  trans-139.8137.8-166.1-70.90000118.9
238P51.5Low54Low106 Ų106139.9 Ų139.969%0.68872%0.723SS**SBendtrans-77.2-19.4-173.6-19.133.2000119.1L240 V241P238-L240 VanDerWaalsContact C-N 3.31Å; P238-L240 PolarHBondContact O-N 3.05Å; P238-L240 VanDerWaalsContact O-N 3.13Å; P238-V241 PolarHBondContact O-N 3.01Å; P238-V241 VanDerWaalsContact O-N 3.16Å
239T57.1Low54.5Low112 Ų112141.8 Ų141.869%0.68773%0.729SS**Hα-helixtrans-62.6-29.7-158.9-44.90000115V241T239-V241 VanDerWaalsContact C-N 3.28Å; T239-V241 PolarHBondContact O-N 3.41Å
240L58Low55.1Low147 Ų147140.7 Ų140.777%0.7773%0.728SS**Hα-helixtrans-62.9-32.7179.8-85.676.4000112.8P238 R242P238-L240 VanDerWaalsContact C-N 3.31Å; P238-L240 PolarHBondContact O-N 3.05Å; P238-L240 VanDerWaalsContact O-N 3.13Å; L240-R242 PolarHBondContact O-N 3.41Å
241V64.9Low55.6Low109 Ų109135.6 Ų135.666%0.66172%0.717SS**Hα-helixtrans-64.3-44.1-175.1-174.50000110.9P238 T239 K243 K244 A245P238-V241 PolarHBondContact O-N 3.01Å; P238-V241 VanDerWaalsContact O-N 3.16Å; T239-V241 VanDerWaalsContact C-N 3.28Å; T239-V241 PolarHBondContact O-N 3.41Å; V241-K243 VanDerWaalsContact C-N 3.34Å; V241-K243 PolarHBondContact O-N 3.19Å; V241-K244 PolarHBondContact O-N 3.02Å; V241-A245 PolarHBondContact O-N 2.83Å
242R60.9Low56.1Low202 Ų202138.3 Ų138.376%0.76271%0.714SS**Hα-helixtrans-63-37.4-175.5-156.8176-169.5121.1-2.8112.5L240 K244 A245 I246L240-R242 PolarHBondContact O-N 3.41Å; R242-K244 VanDerWaalsContact C-N 3.34Å; R242-K244 PolarHBondContact O-N 3.45Å; R242-A245 PolarHBondContact O-N 3.19Å; R242-I246 PolarHBondContact O-N 2.82Å
243K67Low56.6Low154 Ų154139.4 Ų139.467%0.6771%0.71SS**Hα-helixtrans-72-26.4179.6-161.9170.5-176175.30112.8V241V241-K243 VanDerWaalsContact C-N 3.34Å; V241-K243 PolarHBondContact O-N 3.19Å
244K69.1Low56.5Low172 Ų172135.9 Ų135.975%0.74871%0.711SS**Hα-helixtrans-74.3-41.8174.7-165.7173.2-178.6179.40111.7V241 R242 I246 R247 S248V241-K244 PolarHBondContact O-N 3.02Å; R242-K244 VanDerWaalsContact C-N 3.34Å; R242-K244 PolarHBondContact O-N 3.45Å; K244-I246 PolarHBondContact O-N 3.27Å; K244-R247 PolarHBondContact O-N 3.38Å; K244-S248 PolarHBondContact O-N 3.01Å
245A63.1Low56.6Low40 Ų40134.9 Ų134.933%0.33171%0.712SS.*Hα-helixtrans-66.3-33.6-178.800000114.4V241 R242 S248 I251V241-A245 PolarHBondContact O-N 2.83Å; R242-A245 PolarHBondContact O-N 3.19Å; A245-S248 PolarHBondContact O-OG 3.25Å; A245-I251 HydrophobicContact CB-CD1 4.48Å
246I63.9Low56.9Low127 Ų127134 Ų13465%0.65171%0.709SS**Hα-helixtrans-69.4-40.4176.8-64.1168000110.9R242 K244 S248R242-I246 PolarHBondContact O-N 2.82Å; K244-I246 PolarHBondContact O-N 3.27Å; I246-S248 VanDerWaalsContact C-N 3.32Å; I246-S248 PolarHBondContact O-N 3.1Å
247R66.4Low56.6Low212 Ų212139.7 Ų139.780%0.871%0.712SS**Hα-helixtrans-67.9-26.4-178.1-82.1-175165.6-172-5.6114K244K244-R247 PolarHBondContact O-N 3.38Å
248S70.7Confident56.2Low66 Ų66138.9 Ų138.946%0.46272%0.718SS.*THydrogen-bonded Turntrans-83.9-5.8-175.861.10000115K244 A245 I246 V250K244-S248 PolarHBondContact O-N 3.01Å; A245-S248 PolarHBondContact O-OG 3.25Å; I246-S248 VanDerWaalsContact C-N 3.32Å; I246-S248 PolarHBondContact O-N 3.1Å; S248-V250 PolarHBondContact O-N 3.28Å; S248-V250 VanDerWaalsContact O-N 3.09Å; S248-V250 WeakPolarHBondContact OG-CG2 3.27Å
249K60Low55.9Low188 Ų188139.3 Ų139.382%0.81772%0.722SS**THydrogen-bonded Turntrans55.518-175.9-60.7-174.5177.1-178.90115.4I251K249-I251 VanDerWaalsContact C-N 3.34Å; K249-I251 PolarHBondContact O-N 2.83Å
250V59.6Low56Low113 Ų113138.3 Ų138.369%0.68572%0.716SS**  trans-72.5-22-174.3170.60000113.5S248 R252S248-V250 PolarHBondContact O-N 3.28Å; S248-V250 VanDerWaalsContact O-N 3.09Å; S248-V250 WeakPolarHBondContact OG-CG2 3.27Å; V250-R252 PolarHBondContact O-N 3.11Å
251I54.9Low55.5Low122 Ų122139.1 Ų139.163%0.62671%0.71SS**  trans-82.9100.7-174-51.3177.2000110.5A245 K249A245-I251 HydrophobicContact CB-CD1 4.48Å; K249-I251 VanDerWaalsContact C-N 3.34Å; K249-I251 PolarHBondContact O-N 2.83Å
252R52Low54.8Low240 Ų240136.7 Ų136.791%0.90669%0.691SS**  trans-106.418.2176.8-80.4-174.5168.1-179.7-4114.4V250V250-R252 PolarHBondContact O-N 3.11Å
253S46.9Very low54.7Low98 Ų98129.4 Ų129.469%0.68567%0.669SS**  trans-97.4120.8-173.6-47.40000112.4A255S253-A255 VanDerWaalsContact C-N 3.27Å; S253-A255 PolarHBondContact O-N 3.37Å
254G43.1Very low54.3Low84 Ų84128.1 Ų128.187%0.86667%0.665SS**  trans-76.839.6-169.400000117.6Y256G254-Y256 VanDerWaalsContact C-N 3.32Å; G254-Y256 PolarHBondContact O-N 3.22Å
255A46.4Very low53.9Low89 Ų89121.1 Ų121.174%0.73664%0.636SS**  trans-83.520.9-167.500000116.5S253S253-A255 VanDerWaalsContact C-N 3.27Å; S253-A255 PolarHBondContact O-N 3.37Å
256Y46.3Very low53.7Low215 Ų215122.8 Ų122.884%0.84364%0.637SS**  trans-146.761-169.6-112.8-89.9000114.3G254G254-Y256 VanDerWaalsContact C-N 3.32Å; G254-Y256 PolarHBondContact O-N 3.22Å
257R41.7Very low53.4Low249 Ų249120.5 Ų120.594%0.9463%0.626SS**  trans-142.2101.8169.3-69.3-64.2-175.2174.30.6109.7
258G37.8Very low52.9Low72 Ų72113 Ų11374%0.74261%0.606SS**  trans175.152.7-174.600000114.7
259C44.5Very low52.2Low115 Ų115110.5 Ų110.578%0.77759%0.589SS**  trans-127.6116168.2-56.40000107.9
260T58.6Low51.9Low90 Ų90111.2 Ų111.255%0.55259%0.587SS**  trans-102.1173176.357.70000110.3E262 T263 Q264T260-E262 PolarHBondContact O-N 2.76Å; T260-T263 PolarHBondContact N-OG1 2.75Å; T260-T263 WeakPolarHBondContact O-CB 3.45Å; T260-T263 PolarHBondContact O-N 3.32Å; T260-T263 PolarHBondContact OG1-OG1 3.22Å; T260-Q264 PolarHBondContact O-N 2.99Å; T260-Q264 VanDerWaalsContact O-N 3.08Å
261Y47Very low51.6Low164 Ų164112.2 Ų112.264%0.64358%0.584SS**Hα-helixtrans-54.3-35.7175.1178.3-110.7000112.6Q264 L265Y261-Q264 PolarHBondContact O-N 3.31Å; Y261-L265 HydrophobicContact CD1-CD1 3.97Å; Y261-L265 HydrophobicContact CE1-CD1 3.47Å; Y261-L265 VanDerWaalsContact CE1-CD1 3.47Å; Y261-L265 HydrophobicContact CE1-CG 4.16Å; Y261-L265 HydrophobicContact CE2-CG 4.42Å; Y261-L265 PolarHBondContact O-N 2.94Å
262E52.1Low51.6Low59 Ų59109.5 Ų109.528%0.27658%0.58SS.*Hα-helixtrans-64-42.1174.4-58.9-159.9140.100112.1Q29 S126 T260 Q264 L265 Q266Q29-E262 PolarHBondContact NE2-OE1 3.13Å; S126-E262 PolarHBondContact OG-OE2 2.88Å; T260-E262 PolarHBondContact O-N 2.76Å; E262-Q264 VanDerWaalsContact C-N 3.27Å; E262-Q264 PolarHBondContact O-N 3.18Å; E262-L265 PolarHBondContact O-N 3.37Å; E262-Q266 WeakPolarHBondContact O-CG 3.37Å; E262-Q266 PolarHBondContact O-N 2.82Å
263T57.6Low51Low49 Ų49103.3 Ų103.330%0.30156%0.56SS.*Hα-helixtrans-60.3-39.9173.5-37.90000111.1T260 Q266 L267T260-T263 PolarHBondContact N-OG1 2.75Å; T260-T263 WeakPolarHBondContact O-CB 3.45Å; T260-T263 PolarHBondContact O-N 3.32Å; T260-T263 PolarHBondContact OG1-OG1 3.22Å; T263-Q266 PolarHBondContact O-N 3.11Å; T263-L267 HydrophobicContact CG2-CD1 4.41Å; T263-L267 WeakPolarHBondContact O-CB 3.4Å; T263-L267 VanDerWaalsContact O-CG 3.28Å; T263-L267 WeakPolarHBondContact O-CG 3.49Å; T263-L267 PolarHBondContact O-N 3.17Å
264Q58.8Low50.8Low126 Ų126103.8 Ų103.859%0.58956%0.56SS**Hα-helixtrans-68.8-35.4177.6-171.3174.4-500112.4T260 Y261 E262 S268T260-Q264 PolarHBondContact O-N 2.99Å; T260-Q264 VanDerWaalsContact O-N 3.08Å; Y261-Q264 PolarHBondContact O-N 3.31Å; E262-Q264 VanDerWaalsContact C-N 3.27Å; E262-Q264 PolarHBondContact O-N 3.18Å; Q264-S268 VanDerWaalsContact O-CB 3.27Å; Q264-S268 WeakPolarHBondContact O-CB 3.49Å; Q264-S268 PolarHBondContact O-N 3.34Å; Q264-S268 PolarHBondContact O-OG 2.72Å
265L61.7Low50.6Low25 Ų25104.6 Ų104.613%0.13156%0.559CS.*Hα-helixtrans-69.4-42.1172.3-75.5177.3000112.3F27 Y261 E262 L267 S268 A269F27-L265 HydrophobicContact CE2-CB 4.19Å; F27-L265 HydrophobicContact CE2-CD1 3.99Å; F27-L265 HydrophobicContact CZ-CD1 4.07Å; Y261-L265 HydrophobicContact CD1-CD1 3.97Å; Y261-L265 HydrophobicContact CE1-CD1 3.47Å; Y261-L265 VanDerWaalsContact CE1-CD1 3.47Å; Y261-L265 HydrophobicContact CE1-CG 4.16Å; Y261-L265 HydrophobicContact CE2-CG 4.42Å; Y261-L265 PolarHBondContact O-N 2.94Å; E262-L265 PolarHBondContact O-N 3.37Å; L265-L267 VanDerWaalsContact C-N 3.34Å; L265-L267 PolarHBondContact O-N 2.92Å; L265-S268 PolarHBondContact O-N 3.18Å; L265-A269 WeakPolarHBondContact O-CB 3.39Å; L265-A269 PolarHBondContact O-N 2.9Å
266Q57.2Low50Low75 Ų75104.2 Ų104.235%0.3556%0.556SS.*Hα-helixtrans-63-40.4174.4-72.1-172.54.100112F27 E130 E262 T263 R270F27-Q266 HydrophobicContact CB-CG 4.14Å; F27-Q266 HydrophobicContact CG-CG 4.44Å; E130-Q266 PolarHBondContact OE1-NE2 3.33Å; E262-Q266 WeakPolarHBondContact O-CG 3.37Å; E262-Q266 PolarHBondContact O-N 2.82Å; T263-Q266 PolarHBondContact O-N 3.11Å; Q266-R270 WeakPolarHBondContact O-CB 3.07Å; Q266-R270 PolarHBondContact O-N 2.7Å
267L57.6Low49.2Very low80 Ų8098.6 Ų98.642%0.41953%0.533SS..Hα-helixtrans-62.8-47.6171-74.3169.1000110.9T263 L265 A269 R270 E271T263-L267 HydrophobicContact CG2-CD1 4.41Å; T263-L267 WeakPolarHBondContact O-CB 3.4Å; T263-L267 VanDerWaalsContact O-CG 3.28Å; T263-L267 WeakPolarHBondContact O-CG 3.49Å; T263-L267 PolarHBondContact O-N 3.17Å; L265-L267 VanDerWaalsContact C-N 3.34Å; L265-L267 PolarHBondContact O-N 2.92Å; L267-A269 PolarHBondContact O-N 2.71Å; L267-R270 CarbonylContact O-C 3.59Å; L267-R270 WeakPolarHBondContact O-CA 3.31Å; L267-R270 WeakPolarHBondContact O-CB 3.37Å; L267-R270 PolarHBondContact O-N 2.84Å; L267-E271 WeakPolarHBondContact O-CB 3.23Å; L267-E271 VanDerWaalsContact O-CG 3.29Å; L267-E271 WeakPolarHBondContact O-CG 3.18Å; L267-E271 PolarHBondContact O-N 2.9Å
268S56.4Low48.8Very low54 Ų5496.2 Ų96.238%0.37853%0.533SS..Hα-helixtrans-60.3-41.9179.3-61.60000112.4Q264 L265 R270 E271 A272Q264-S268 VanDerWaalsContact O-CB 3.27Å; Q264-S268 WeakPolarHBondContact O-CB 3.49Å; Q264-S268 PolarHBondContact O-N 3.34Å; Q264-S268 PolarHBondContact O-OG 2.72Å; L265-S268 PolarHBondContact O-N 3.18Å; S268-R270 PolarHBondContact O-N 3.18Å; S268-E271 PolarHBondContact O-N 3.03Å; S268-A272 WeakPolarHBondContact O-CB 3.39Å; S268-A272 PolarHBondContact O-N 2.82Å
269A55.9Low48.3Very low14 Ų1496.7 Ų96.712%0.11653%0.53CS..Hα-helixtrans-63.4-27.7174.800000113.1I65 L265 L267I65-A269 HydrophobicContact CD1-CB 3.73Å; I65-A269 HydrophobicContact CG1-CB 4.32Å; L265-A269 WeakPolarHBondContact O-CB 3.39Å; L265-A269 PolarHBondContact O-N 2.9Å; L267-A269 PolarHBondContact O-N 2.71Å
270R53.9Low47.6Very low203 Ų20395.5 Ų95.577%0.76651%0.509SS*.Hα-helixtrans-89.9-26.9177.6-172.4176.4-178.3170.22113.3Q266 L267 S268Q266-R270 WeakPolarHBondContact O-CB 3.07Å; Q266-R270 PolarHBondContact O-N 2.7Å; L267-R270 CarbonylContact O-C 3.59Å; L267-R270 WeakPolarHBondContact O-CA 3.31Å; L267-R270 WeakPolarHBondContact O-CB 3.37Å; L267-R270 PolarHBondContact O-N 2.84Å; S268-R270 PolarHBondContact O-N 3.18Å
271E54.4Low46.4Very low134 Ų13496.7 Ų96.763%0.62652%0.518SS*.Hα-helixtrans-87.8-34.3-179.6-73.8172-17000112L267 S268 F273L267-E271 WeakPolarHBondContact O-CB 3.23Å; L267-E271 VanDerWaalsContact O-CG 3.29Å; L267-E271 WeakPolarHBondContact O-CG 3.18Å; L267-E271 PolarHBondContact O-N 2.9Å; S268-E271 PolarHBondContact O-N 3.03Å; E271-F273 PolarHBondContact O-N 3.06Å; E271-F273 VanDerWaalsContact O-N 3.13Å
272A53.4Low45.9Very low64 Ų64100.8 Ų100.853%0.52953%0.532SS..SBendtrans-61.9-17.6174.200000113.7S268S268-A272 WeakPolarHBondContact O-CB 3.39Å; S268-A272 PolarHBondContact O-N 2.82Å
273F40.9Very low45Very low111 Ų111100 Ų10049%0.48754%0.54SS..SBendtrans-131.189178.2-61.1-73.8000110.3K67 E271K67-F273 VanDerWaalsContact NZ-CE2 3.32Å; K67-F273 VanDerWaalsContact NZ-CZ 3.27Å; E271-F273 PolarHBondContact O-N 3.06Å; E271-F273 VanDerWaalsContact O-N 3.13Å
274P40.8Very low43.7Very low108 Ų108104.3 Ų104.370%0.70157%0.569SS**  trans-53.8141.4-179-2835.1000113A276P274-A276 PolarHBondContact O-N 2.87Å
275A40.6Very low42.9Very low101 Ų101102 Ų10284%0.83558%0.578SS**  trans-73.450.8-178.500000114.3
276A33Very low41.8Very low81 Ų81104.6 Ų104.667%0.66960%0.599SS**  trans-66.6130.1142.900000106.6P274P274-A276 PolarHBondContact O-N 2.87Å
277W28.7Very low41.5Very low96 Ų96103.9 Ų103.936%0.36460%0.601SS.*  cis-155.8111.321.736.7-77.5000109.8R22 A279 W280R22-W277 HydrophobicContact CB-CZ2 3.99Å; W277-A279 PolarHBondContact O-N 3.01Å; W277-A279 VanDerWaalsContact O-N 3.14Å; W277-W280 AromaticContact CE3-CD1 3.83Å; W277-W280 AromaticContact CE3-NE1 3.68Å; W277-W280 HydrophobicContact CH2-CD2 4.28Å; W277-W280 AromaticContact CH2-CE2 3.43Å; W277-W280 VanDerWaalsContact CH2-CE2 3.43Å; W277-W280 HydrophobicContact CH2-CH2 4.2Å; W277-W280 AromaticContact CH2-CZ2 3.39Å; W277-W280 HydrophobicContact CH2-CZ2 3.39Å; W277-W280 AromaticContact CH2-NE1 3.47Å; W277-W280 HydrophobicContact CZ2-CZ2 4.36Å; W277-W280 AromaticContact CZ3-CD1 3.52Å; W277-W280 AromaticContact CZ3-CD2 3.81Å; W277-W280 HydrophobicContact CZ3-CD2 3.81Å; W277-W280 AromaticContact CZ3-CE2 3.31Å; W277-W280 AromaticContact CZ3-CG 3.95Å; W277-W280 HydrophobicContact CZ3-CG 3.95Å; W277-W280 AromaticContact CZ3-CZ2 3.81Å; W277-W280 HydrophobicContact CZ3-CZ2 3.81Å; W277-W280 AromaticContact CZ3-NE1 3.09Å
278E33.6Very low41.5Very low200 Ų200101.4 Ų101.494%0.93559%0.59SS**  trans-74.87.7173.8-62.1-166.2137.300113.5W280E278-W280 PolarHBondContact O-N 3.16Å
279A28.5Very low41.8Very low82 Ų82100 Ų10068%0.67858%0.58SS**  trans-97.766.6-17500000112.5W277W277-A279 PolarHBondContact O-N 3.01Å; W277-A279 VanDerWaalsContact O-N 3.14Å
280W29.8Very low42.7Very low90 Ų9099.7 Ų99.734%0.34158%0.576SS.*  trans-86.4139.4159.9-78.177.4000109.8W277 E278 R282 C289W277-W280 AromaticContact CE3-CD1 3.83Å; W277-W280 AromaticContact CE3-NE1 3.68Å; W277-W280 HydrophobicContact CH2-CD2 4.28Å; W277-W280 AromaticContact CH2-CE2 3.43Å; W277-W280 VanDerWaalsContact CH2-CE2 3.43Å; W277-W280 HydrophobicContact CH2-CH2 4.2Å; W277-W280 AromaticContact CH2-CZ2 3.39Å; W277-W280 HydrophobicContact CH2-CZ2 3.39Å; W277-W280 AromaticContact CH2-NE1 3.47Å; W277-W280 HydrophobicContact CZ2-CZ2 4.36Å; W277-W280 AromaticContact CZ3-CD1 3.52Å; W277-W280 AromaticContact CZ3-CD2 3.81Å; W277-W280 HydrophobicContact CZ3-CD2 3.81Å; W277-W280 AromaticContact CZ3-CE2 3.31Å; W277-W280 AromaticContact CZ3-CG 3.95Å; W277-W280 HydrophobicContact CZ3-CG 3.95Å; W277-W280 AromaticContact CZ3-CZ2 3.81Å; W277-W280 HydrophobicContact CZ3-CZ2 3.81Å; W277-W280 AromaticContact CZ3-NE1 3.09Å; E278-W280 PolarHBondContact O-N 3.16Å; W280-R282 PolarHBondContact O-N 2.91Å; W280-C289 HydrophobicContact CH2-CB 4.35Å; W280-C289 HydrophobicContact CZ2-CB 4.18Å; W280-C289 VanDerWaalsContact CZ2-SG 3.58Å
281P33.5Very low43.7Very low114 Ų11493 Ų9374%0.7456%0.558SS**  trans-61.4124164-16.730.1000109.2G283P281-G283 PolarHBondContact O-N 2.92Å
282R36Very low44.8Very low251 Ų25190.9 Ų90.995%0.94755%0.548SS*.  trans-76.764.6172.8-62.9-165.9-165.4-157.97110.7W280W280-R282 PolarHBondContact O-N 2.91Å
283G32.4Very low45.9Very low43 Ų4391.9 Ų91.944%0.44355%0.545SS..  trans-73.5128.8171.400000110.7P281 G285P281-G283 PolarHBondContact O-N 2.92Å; G283-G285 PolarHBondContact O-N 2.91Å
284P31.5Very low47.4Very low138 Ų13890.2 Ų90.290%0.89654%0.538SS*.THydrogen-bonded Turntrans-64127.5170.927.5-32.5000109.3
285G40.4Very low48.8Very low77 Ų7786.5 Ų86.579%0.79452%0.52SS*.THydrogen-bonded Turntrans107.96.1178.700000117G283 P287G283-G285 PolarHBondContact O-N 2.91Å; G285-P287 VanDerWaalsContact O-CD 3.23Å; G285-P287 WeakPolarHBondContact O-CD 3.44Å
286S39.6Very low50.5Low80 Ų8083.7 Ų83.756%0.55949%0.494SS*.  trans-108.895.6176.9-169.90000113.5
287P51Low52.9Low61 Ų6180 Ų8040%0.39646%0.463SS..  trans-86.8-3.4171.535.7-35.9000113.4G285 C289G285-P287 VanDerWaalsContact O-CD 3.23Å; G285-P287 WeakPolarHBondContact O-CD 3.44Å; P287-C289 VanDerWaalsContact C-N 3.27Å; P287-C289 PolarHBondContact O-N 2.82Å
288S57Low55.5Low28 Ų2876.1 Ų76.120%0.19645%0.45CS..  trans-83.941.1-160-54.50000115.5
289C62.3Low57.8Low25 Ų2568.2 Ų68.217%0.16941%0.413CS..  trans-123.6136.3176.8-173.20000111.6R22 W280 P287 V291R22-C289 VanDerWaalsContact CD-SG 3.5Å; R22-C289 PolarHBondContact NH1-SG 3.02Å; W280-C289 HydrophobicContact CH2-CB 4.35Å; W280-C289 HydrophobicContact CZ2-CB 4.18Å; W280-C289 VanDerWaalsContact CZ2-SG 3.58Å; P287-C289 VanDerWaalsContact C-N 3.27Å; P287-C289 PolarHBondContact O-N 2.82Å; C289-V291 HydrophobicContact CB-CG2 4.48Å
290L74.7Confident60.5Low6 Ų666.8 Ų66.83%0.03139%0.394CS..  trans-71.6128.7166.6-160.768.6000109R22 I24 F68 L137 R140 S141 L144R22-L290 PolarHBondContact NE-O 2.86Å; I24-L290 HydrophobicContact CD1-CB 4.37Å; I24-L290 HydrophobicContact CD1-CD2 4.05Å; I24-L290 HydrophobicContact CD1-CG 3.95Å; F68-L290 HydrophobicContact CB-CD2 4.01Å; L137-L290 HydrophobicContact CD2-CD1 4.16Å; L137-L290 HydrophobicContact CD2-CD2 3.99Å; L137-L290 HydrophobicContact CD2-CG 3.86Å; R140-L290 HydrophobicContact CB-CD1 4.07Å; R140-L290 HydrophobicContact CG-CD1 4.16Å; S141-L290 WeakPolarHBondContact OG-CD1 3.47Å; L144-L290 HydrophobicContact CD1-CD1 4.42Å
291V76.2Confident63.2Low63 Ų6362.5 Ų62.538%0.38238%0.378SS..  trans-132.2139-174.2175.30000108.4C289 N293 L297C289-V291 HydrophobicContact CB-CG2 4.48Å; V291-N293 HydrophobicContact CG1-CB 4.28Å; V291-L297 VanDerWaalsContact O-CD1 3.27Å; V291-L297 WeakPolarHBondContact O-CD1 3.39Å; V291-L297 WeakPolarHBondContact O-CD2 3.22Å; V291-L297 VanDerWaalsContact O-CG 3.29Å; V291-L297 WeakPolarHBondContact O-CG 3.28Å
292E77.3Confident65.8Low89 Ų8958.1 Ų58.142%0.41635%0.346SS..  trans-91.23.6-169-152.4-179141.500114.5I24 K26 E294I24-E292 HydrophobicContact CD1-CB 4.01Å; I24-E292 HydrophobicContact CD1-CG 4.38Å; I24-E292 HydrophobicContact CG2-CG 3.92Å; K26-E292 VanDerWaalsContact CE-OE1 3.28Å; K26-E292 WeakPolarHBondContact CE-OE1 3.43Å; K26-E292 IonicContact NZ-OE1 2.7Å; K26-E292 PolarHBondContact NZ-OE1 3.43Å; E292-E294 PolarHBondContact O-N 3.29Å
293N76.6Confident68.1Low86 Ų8647.2 Ų47.246%0.4631%0.31SS..  trans-76.3108179.9-176.420000109.9V291 G295 S296 L297V291-N293 HydrophobicContact CG1-CB 4.28Å; N293-G295 PolarHBondContact O-N 2.81Å; N293-S296 PolarHBondContact ND2-OG 3.34Å; N293-S296 CarbonylContact O-C 3.6Å; N293-S296 PolarHBondContact O-N 2.86Å; N293-S296 VanDerWaalsContact O-N 3.15Å; N293-L297 PolarHBondContact O-N 3.07Å
294E72.4Confident70.4Confident76 Ų7645.5 Ų45.536%0.35529%0.29SS..Hα-helixtrans-52.1-54.9-173.5-172.6172.9-17200113N132 I133 L136 E292 S296 L297 T298N132-E294 PolarHBondContact ND2-OE1 2.83Å; I133-E294 HydrophobicContact CD1-CB 4.19Å; L136-E294 HydrophobicContact CD1-CG 4.06Å; E292-E294 PolarHBondContact O-N 3.29Å; E294-S296 VanDerWaalsContact C-N 3.32Å; E294-S296 PolarHBondContact O-N 3.37Å; E294-L297 WeakPolarHBondContact O-CA 3.29Å; E294-L297 WeakPolarHBondContact O-CB 3.33Å; E294-L297 PolarHBondContact O-N 3.35Å; E294-T298 PolarHBondContact O-N 3.44Å; E294-T298 PolarHBondContact O-OG1 3.33Å
295G70.3Confident72.9Confident30 Ų3040 Ų4031%0.30926%0.256SS..Hα-helixtrans-57.3-44.4178.500000112.5N293 L297 T298 E299N293-G295 PolarHBondContact O-N 2.81Å; G295-L297 VanDerWaalsContact C-N 3.32Å; G295-L297 PolarHBondContact O-N 2.89Å; G295-T298 PolarHBondContact O-N 2.93Å; G295-E299 VanDerWaalsContact O-CG 3.25Å; G295-E299 WeakPolarHBondContact O-CG 3.5Å; G295-E299 PolarHBondContact O-N 3.3Å
296S76.1Confident74.9Confident42 Ų4237.4 Ų37.429%0.29423%0.229SC..Hα-helixtrans-64.1-34.5174.4-61.70000112.7N293 E294 N300N293-S296 PolarHBondContact ND2-OG 3.34Å; N293-S296 CarbonylContact O-C 3.6Å; N293-S296 PolarHBondContact O-N 2.86Å; N293-S296 VanDerWaalsContact O-N 3.15Å; E294-S296 VanDerWaalsContact C-N 3.32Å; E294-S296 PolarHBondContact O-N 3.37Å; S296-N300 WeakPolarHBondContact O-CB 3.46Å; S296-N300 VanDerWaalsContact O-CG 3.26Å; S296-N300 PolarHBondContact O-N 3.11Å; S296-N300 VanDerWaalsContact O-N 3.07Å; S296-N300 PolarHBondContact O-ND2 2.82Å
297L82.8Confident77.1Confident4 Ų434.2 Ų34.22%0.02121%0.206CC..Hα-helixtrans-66.3-45.8174.6-78.7165.3000110.9I133 L136 L137 R140 V291 N293 E294 G295 N300 I301I133-L297 HydrophobicContact CD1-CD1 3.34Å; L136-L297 HydrophobicContact CB-CB 4.02Å; L136-L297 HydrophobicContact CB-CD1 4.23Å; L136-L297 HydrophobicContact CD1-CB 4.26Å; L137-L297 HydrophobicContact CD2-CD1 3.98Å; L137-L297 HydrophobicContact CG-CD1 4.17Å; R140-L297 HydrophobicContact CB-CD2 3.6Å; R140-L297 HydrophobicContact CG-CD2 3.75Å; V291-L297 VanDerWaalsContact O-CD1 3.27Å; V291-L297 WeakPolarHBondContact O-CD1 3.39Å; V291-L297 WeakPolarHBondContact O-CD2 3.22Å; V291-L297 VanDerWaalsContact O-CG 3.29Å; V291-L297 WeakPolarHBondContact O-CG 3.28Å; N293-L297 PolarHBondContact O-N 3.07Å; E294-L297 WeakPolarHBondContact O-CA 3.29Å; E294-L297 WeakPolarHBondContact O-CB 3.33Å; E294-L297 PolarHBondContact O-N 3.35Å; G295-L297 VanDerWaalsContact C-N 3.32Å; G295-L297 PolarHBondContact O-N 2.89Å; L297-N300 PolarHBondContact O-N 2.78Å; L297-I301 HydrophobicContact CB-CD1 4.24Å; L297-I301 WeakPolarHBondContact O-CB 3.18Å; L297-I301 VanDerWaalsContact O-CD1 3.29Å; L297-I301 WeakPolarHBondContact O-CD1 3.43Å; L297-I301 WeakPolarHBondContact O-CG1 3.11Å; L297-I301 PolarHBondContact O-N 3.1Å
298T84.6Confident78.8Confident13 Ų1332.9 Ų32.98%0.0820%0.198CC..Hα-helixtrans-54.7-56.7178.8-56.40000111.7F186 E294 G295 N300 I301 W302F186-T298 HydrophobicContact CE2-CG2 4.16Å; E294-T298 PolarHBondContact O-N 3.44Å; E294-T298 PolarHBondContact O-OG1 3.33Å; G295-T298 PolarHBondContact O-N 2.93Å; T298-N300 VanDerWaalsContact C-N 3.35Å; T298-N300 PolarHBondContact O-N 2.88Å; T298-I301 PolarHBondContact O-N 2.86Å; T298-I301 VanDerWaalsContact O-N 3.17Å; T298-W302 HydrophobicContact CG2-CD2 3.64Å; T298-W302 HydrophobicContact CG2-CE3 3.69Å; T298-W302 HydrophobicContact CG2-CG 4.41Å; T298-W302 HydrophobicContact CG2-CH2 3.6Å; T298-W302 HydrophobicContact CG2-CZ2 3.55Å; T298-W302 HydrophobicContact CG2-CZ3 3.67Å; T298-W302 WeakPolarHBondContact O-CB 3.41Å; T298-W302 PolarHBondContact O-N 3.28Å
299E81.5Confident80.3Confident34 Ų3436.6 Ų36.616%0.15921%0.208CC..Hα-helixtrans-67.6-30.8177.634.4168.6132.300113.4R183 F186 G295 I301 A303R183-E299 VanDerWaalsContact CD-OE2 3.25Å; R183-E299 WeakPolarHBondContact CD-OE2 3.21Å; R183-E299 IonicContact CZ-OE2 3.53Å; R183-E299 IonicContact NE-OE2 3.44Å; R183-E299 IonicContact NH1-OE2 3.47Å; R183-E299 PolarHBondContact NH1-OE2 2.88Å; F186-E299 HydrophobicContact CD2-CB 4.17Å; F186-E299 HydrophobicContact CD2-CG 3.99Å; F186-E299 HydrophobicContact CE2-CB 3.47Å; F186-E299 VanDerWaalsContact CE2-CB 3.47Å; F186-E299 HydrophobicContact CE2-CG 3.82Å; F186-E299 HydrophobicContact CZ-CB 4.12Å; G295-E299 VanDerWaalsContact O-CG 3.25Å; G295-E299 WeakPolarHBondContact O-CG 3.5Å; G295-E299 PolarHBondContact O-N 3.3Å; E299-I301 VanDerWaalsContact C-N 3.3Å; E299-I301 PolarHBondContact O-N 3.47Å; E299-A303 WeakPolarHBondContact O-CB 3.39Å; E299-A303 PolarHBondContact O-N 2.99Å; E299-A303 VanDerWaalsContact O-N 3.09Å
300N84.1Confident81.7Confident52 Ų5239.4 Ų39.428%0.27823%0.228SC..Hα-helixtrans-65.1-34.8173.1-86.6-61.6000112.2R140 Q143 S296 L297 T298 F304 A305R140-N300 PolarHBondContact NH1-O 3.16Å; Q143-N300 PolarHBondContact OE1-O 3.43Å; S296-N300 WeakPolarHBondContact O-CB 3.46Å; S296-N300 VanDerWaalsContact O-CG 3.26Å; S296-N300 PolarHBondContact O-N 3.11Å; S296-N300 VanDerWaalsContact O-N 3.07Å; S296-N300 PolarHBondContact O-ND2 2.82Å; L297-N300 PolarHBondContact O-N 2.78Å; T298-N300 VanDerWaalsContact C-N 3.35Å; T298-N300 PolarHBondContact O-N 2.88Å; N300-F304 CarbonylContact O-C 3.58Å; N300-F304 WeakPolarHBondContact O-CA 3.49Å; N300-F304 PolarHBondContact O-N 3.19Å; N300-A305 HydrophobicContact CB-CB 4.18Å; N300-A305 PolarHBondContact O-N 3.37Å; N300-A305 WeakPolarHBondContact OD1-CB 3.4Å
301I87.2Confident82.6Confident1 Ų140 Ų401%0.00523%0.233CC..Hα-helixtrans-83.3-47.2-175.8-67.6158.6000110.7L136 C139 R140 Q143 L297 T298 E299 A303 F304L136-I301 HydrophobicContact CB-CD1 3.68Å; L136-I301 HydrophobicContact CD2-CD1 3.53Å; L136-I301 HydrophobicContact CG-CD1 4.19Å; L136-I301 WeakPolarHBondContact O-CD1 3.24Å; C139-I301 HydrophobicContact CB-CD1 4.23Å; C139-I301 HydrophobicContact CB-CG2 4.13Å; R140-I301 HydrophobicContact CB-CD1 4.03Å; R140-I301 HydrophobicContact CB-CG1 4.02Å; Q143-I301 PolarHBondContact NE2-O 3.08Å; L297-I301 HydrophobicContact CB-CD1 4.24Å; L297-I301 WeakPolarHBondContact O-CB 3.18Å; L297-I301 VanDerWaalsContact O-CD1 3.29Å; L297-I301 WeakPolarHBondContact O-CD1 3.43Å; L297-I301 WeakPolarHBondContact O-CG1 3.11Å; L297-I301 PolarHBondContact O-N 3.1Å; T298-I301 PolarHBondContact O-N 2.86Å; T298-I301 VanDerWaalsContact O-N 3.17Å; E299-I301 VanDerWaalsContact C-N 3.3Å; E299-I301 PolarHBondContact O-N 3.47Å; I301-A303 PolarHBondContact O-N 3.39Å; I301-F304 PolarHBondContact O-N 3.31Å
302W88.1Confident83.3Confident22 Ų2237.2 Ų37.28%0.08322%0.216CC..Hα-helixtrans-65.5-36178.5-66-6.4000112.4F186 T298 F304 F324 L325 L326 E372 V375F186-W302 HydrophobicContact CE2-CE3 4.49Å; F186-W302 HydrophobicContact CZ-CE3 4.11Å; F186-W302 HydrophobicContact CZ-CZ3 4.21Å; T298-W302 HydrophobicContact CG2-CD2 3.64Å; T298-W302 HydrophobicContact CG2-CE3 3.69Å; T298-W302 HydrophobicContact CG2-CG 4.41Å; T298-W302 HydrophobicContact CG2-CH2 3.6Å; T298-W302 HydrophobicContact CG2-CZ2 3.55Å; T298-W302 HydrophobicContact CG2-CZ3 3.67Å; T298-W302 WeakPolarHBondContact O-CB 3.41Å; T298-W302 PolarHBondContact O-N 3.28Å; W302-F304 VanDerWaalsContact C-N 3.35Å; W302-F324 AromaticContact CD1-CE2 3.81Å; W302-F324 AromaticContact CD1-CZ 3.96Å; W302-F324 HydrophobicContact CD2-CE2 4.06Å; W302-F324 HydrophobicContact CD2-CZ 4.45Å; W302-F324 AromaticContact CE2-CZ 3.94Å; W302-F324 AromaticContact CG-CE2 3.94Å; W302-F324 HydrophobicContact CG-CE2 3.94Å; W302-F324 HydrophobicContact CG-CZ 4.47Å; W302-F324 HydrophobicContact CZ2-CZ 4.44Å; W302-F324 AromaticContact NE1-CE2 3.87Å; W302-F324 AromaticContact NE1-CZ 3.63Å; W302-L325 CarbonylContact O-C 3.56Å; W302-L325 WeakPolarHBondContact O-CA 3.43Å; W302-L325 WeakPolarHBondContact O-CB 3.27Å; W302-L325 VanDerWaalsContact O-CD2 3.24Å; W302-L325 WeakPolarHBondContact O-CD2 3.37Å; W302-L326 CarbonylContact C-O 3.56Å; W302-L326 HydrophobicContact CB-CB 4.32Å; W302-L326 HydrophobicContact CE3-CD2 4.19Å; W302-L326 PolarHBondContact O-N 2.82Å; W302-E372 HydrophobicContact CH2-CB 4.29Å; W302-E372 HydrophobicContact CH2-CG 3.96Å; W302-E372 HydrophobicContact CZ3-CG 4.22Å; W302-V375 HydrophobicContact CH2-CB 4.18Å; W302-V375 HydrophobicContact CH2-CG1 4.26Å; W302-V375 HydrophobicContact CH2-CG2 4.16Å; W302-V375 HydrophobicContact CZ2-CB 4.45Å; W302-V375 HydrophobicContact CZ2-CG1 4.02Å; W302-V375 HydrophobicContact CZ3-CG2 4.24Å
303A83.2Confident84.2Confident21 Ų2134.4 Ų34.417%0.17420%0.203CC..THydrogen-bonded Turntrans-87.83175.100000114.2E299 I301 A305 L326E299-A303 WeakPolarHBondContact O-CB 3.39Å; E299-A303 PolarHBondContact O-N 2.99Å; E299-A303 VanDerWaalsContact O-N 3.09Å; I301-A303 PolarHBondContact O-N 3.39Å; A303-A305 PolarHBondContact O-N 2.83Å; A303-L326 VanDerWaalsContact CA-O 3.31Å; A303-L326 WeakPolarHBondContact CA-O 3.41Å; A303-L326 WeakPolarHBondContact CB-O 3.23Å
304F82.5Confident85Confident7 Ų732.5 Ų32.53%0.03120%0.2CC..THydrogen-bonded Turntrans42.747.1-169.2-142.6-52000113Q143 N300 I301 W302 G306 L307 A312 L315 L325Q143-F304 HydrophobicContact CB-CD1 4.2Å; Q143-F304 HydrophobicContact CB-CE1 3.68Å; Q143-F304 HydrophobicContact CB-CZ 4.25Å; Q143-F304 HydrophobicContact CG-CD1 3.86Å; Q143-F304 HydrophobicContact CG-CE1 3.47Å; Q143-F304 VanDerWaalsContact CG-CE1 3.47Å; Q143-F304 HydrophobicContact CG-CE2 4.25Å; Q143-F304 HydrophobicContact CG-CG 4.42Å; Q143-F304 HydrophobicContact CG-CZ 3.68Å; N300-F304 CarbonylContact O-C 3.58Å; N300-F304 WeakPolarHBondContact O-CA 3.49Å; N300-F304 PolarHBondContact O-N 3.19Å; I301-F304 PolarHBondContact O-N 3.31Å; W302-F304 VanDerWaalsContact C-N 3.35Å; F304-G306 PolarHBondContact O-N 3.24Å; F304-G306 VanDerWaalsContact O-N 3.07Å; F304-L307 HydrophobicContact CD1-CB 4.32Å; F304-L307 HydrophobicContact CD1-CD1 3.52Å; F304-L307 HydrophobicContact CD1-CG 3.89Å; F304-L307 HydrophobicContact CE1-CD1 3.33Å; F304-L307 HydrophobicContact CE1-CG 3.94Å; F304-L307 HydrophobicContact CE2-CD1 4.39Å; F304-L307 HydrophobicContact CG-CD1 4.13Å; F304-L307 HydrophobicContact CZ-CD1 3.81Å; F304-L307 PolarHBondContact O-N 3.49Å; F304-A312 HydrophobicContact CB-CB 3.95Å; F304-A312 HydrophobicContact CG-CB 4.38Å; F304-L315 HydrophobicContact CE1-CD1 4.21Å; F304-L315 HydrophobicContact CE2-CB 4.36Å; F304-L315 HydrophobicContact CE2-CD1 3.59Å; F304-L315 HydrophobicContact CZ-CD1 3.39Å; F304-L325 HydrophobicContact CB-CD1 4.5Å; F304-L325 HydrophobicContact CB-CD2 3.99Å; F304-L325 HydrophobicContact CD2-CD2 4.13Å
305A82.7Confident86.1Confident23 Ų2329.5 Ų29.519%0.1919%0.186CC..THydrogen-bonded Turntrans-61.1114.5-165.200000112.2R140 N300 A303R140-A305 PolarHBondContact NH1-O 3.46Å; R140-A305 PolarHBondContact NH2-O 2.86Å; N300-A305 HydrophobicContact CB-CB 4.18Å; N300-A305 PolarHBondContact O-N 3.37Å; N300-A305 WeakPolarHBondContact OD1-CB 3.4Å; A303-A305 PolarHBondContact O-N 2.83Å
306G82.7Confident87.3Confident22 Ų2228.1 Ų28.123%0.22717%0.171CC..THydrogen-bonded Turntrans129.9-25.3-177.400000113.4L147 R154 A155 F304L147-G306 WeakPolarHBondContact CD2-O 3.09Å; R154-G306 CarbonylContact C-O 3.55Å; R154-G306 VanDerWaalsContact CA-O 3.29Å; R154-G306 WeakPolarHBondContact CA-O 3.36Å; A155-G306 PolarHBondContact N-O 2.93Å; F304-G306 PolarHBondContact O-N 3.24Å; F304-G306 VanDerWaalsContact O-N 3.07Å
307L85Confident88.2Confident14 Ų1432.5 Ų32.57%0.07318%0.182CC..BIsolated β-bridgetrans-92.7157173.3-72-177.8000112.3Y146 L147 E153 F304 C311 A312 L315Y146-L307 HydrophobicContact CD1-CD1 4Å; Y146-L307 HydrophobicContact CD1-CD2 4.04Å; Y146-L307 HydrophobicContact CE1-CD1 3.95Å; Y146-L307 HydrophobicContact CE1-CD2 3.93Å; L147-L307 HydrophobicContact CD2-CD2 3.51Å; L147-L307 HydrophobicContact CD2-CG 3.89Å; L147-L307 HydrophobicContact CG-CD2 4.32Å; L147-L307 HydrophobicContact CG-CG 4.46Å; E153-L307 HydrophobicContact CB-CD2 3.75Å; E153-L307 WeakPolarHBondContact O-CD2 3.19Å; F304-L307 HydrophobicContact CD1-CB 4.32Å; F304-L307 HydrophobicContact CD1-CD1 3.52Å; F304-L307 HydrophobicContact CD1-CG 3.89Å; F304-L307 HydrophobicContact CE1-CD1 3.33Å; F304-L307 HydrophobicContact CE1-CG 3.94Å; F304-L307 HydrophobicContact CE2-CD1 4.39Å; F304-L307 HydrophobicContact CG-CD1 4.13Å; F304-L307 HydrophobicContact CZ-CD1 3.81Å; F304-L307 PolarHBondContact O-N 3.49Å; L307-C311 HydrophobicContact CB-CB 4.29Å; L307-C311 HydrophobicContact CD1-CB 4.39Å; L307-C311 HydrophobicContact CD2-CB 4.36Å; L307-A312 HydrophobicContact CB-CB 4.42Å; L307-L315 HydrophobicContact CD1-CD1 3.53Å
308S87.7Confident88.7Confident32 Ų3241.8 Ų41.822%0.22422%0.216CC..  trans-64.8154.8164.277.80000111.6E153 S310 C311 A312E153-S308 PolarHBondContact O-N 2.88Å; E153-S308 VanDerWaalsContact O-N 3.16Å; S308-S310 VanDerWaalsContact C-N 3.26Å; S308-S310 PolarHBondContact O-N 2.92Å; S308-S310 PolarHBondContact OG-OG 2.89Å; S308-S310 VanDerWaalsContact OG-OG 3.06Å; S308-C311 PolarHBondContact O-N 3.22Å; S308-C311 WeakPolarHBondContact OG-CB 3.1Å; S308-C311 PolarHBondContact OG-N 3.38Å; S308-C311 PolarHBondContact OG-SG 3.21Å; S308-A312 WeakPolarHBondContact O-CB 3.41Å; S308-A312 PolarHBondContact O-N 2.75Å
309R88.7Confident89.2Confident106 Ų10641.6 Ų41.640%0.422%0.215SC..Hα-helixtrans-61.5-33179.2-174.6173.2174.3172.1-2.1112.4L313 E329R309-L313 HydrophobicContact CG-CD1 4.17Å; R309-L313 VanDerWaalsContact O-CB 3.29Å; R309-L313 WeakPolarHBondContact O-CB 3.27Å; R309-L313 WeakPolarHBondContact O-CD1 3.04Å; R309-L313 VanDerWaalsContact O-CG 3.29Å; R309-L313 WeakPolarHBondContact O-CG 3.36Å; R309-L313 PolarHBondContact O-N 2.69Å; R309-E329 IonicContact CZ-OE1 2.65Å; R309-E329 IonicContact CZ-OE2 3.51Å; R309-E329 IonicContact NH1-OE1 2.68Å; R309-E329 PolarHBondContact NH1-OE1 2.85Å; R309-E329 IonicContact NH1-OE2 3.52Å; R309-E329 PolarHBondContact NH1-OE2 3.4Å; R309-E329 IonicContact NH2-OE1 3.2Å; R309-E329 PolarHBondContact NH2-OE1 3.01Å; R309-E329 IonicContact NH2-OE2 2.72Å; R309-E329 PolarHBondContact NH2-OE2 3.25Å
310S91.8Very high89.8Confident84 Ų8440 Ų4059%0.58721%0.207SC*.Hα-helixtrans-68.6-44.9175.948.50000112.1S308 L313 A314S308-S310 VanDerWaalsContact C-N 3.26Å; S308-S310 PolarHBondContact O-N 2.92Å; S308-S310 PolarHBondContact OG-OG 2.89Å; S308-S310 VanDerWaalsContact OG-OG 3.06Å; S310-L313 PolarHBondContact O-N 3.43Å; S310-A314 WeakPolarHBondContact O-CB 3.31Å; S310-A314 PolarHBondContact O-N 3.44Å
311C92.2Very high90.3Very high20 Ų2039.7 Ų39.714%0.13520%0.204CC..Hα-helixtrans-63.5-46.6175.2-68.70000111.9E153 L307 S308 L313 A314 L315E153-C311 HydrophobicContact CB-CB 4.16Å; E153-C311 VanDerWaalsContact CB-SG 3.59Å; E153-C311 VanDerWaalsContact CD-SG 3.54Å; E153-C311 WeakPolarHBondContact OE2-CB 3.4Å; E153-C311 PolarHBondContact OE2-SG 3.08Å; L307-C311 HydrophobicContact CB-CB 4.29Å; L307-C311 HydrophobicContact CD1-CB 4.39Å; L307-C311 HydrophobicContact CD2-CB 4.36Å; S308-C311 PolarHBondContact O-N 3.22Å; S308-C311 WeakPolarHBondContact OG-CB 3.1Å; S308-C311 PolarHBondContact OG-N 3.38Å; S308-C311 PolarHBondContact OG-SG 3.21Å; C311-L313 VanDerWaalsContact C-N 3.31Å; C311-L313 PolarHBondContact O-N 3.03Å; C311-A314 WeakPolarHBondContact O-CA 3.32Å; C311-A314 WeakPolarHBondContact O-CB 3.31Å; C311-A314 PolarHBondContact O-N 3.27Å; C311-L315 PolarHBondContact O-N 2.95Å
312A92.6Very high90.5Very high3 Ų339.6 Ų39.63%0.02520%0.204CC..Hα-helixtrans-59.8-40.4176.200000112.2F304 L307 S308 L316 L325F304-A312 HydrophobicContact CB-CB 3.95Å; F304-A312 HydrophobicContact CG-CB 4.38Å; L307-A312 HydrophobicContact CB-CB 4.42Å; S308-A312 WeakPolarHBondContact O-CB 3.41Å; S308-A312 PolarHBondContact O-N 2.75Å; A312-L316 WeakPolarHBondContact O-CB 3.36Å; A312-L316 PolarHBondContact O-N 3.22Å; A312-L325 HydrophobicContact CB-CD1 3.84Å; A312-L325 WeakPolarHBondContact O-CD1 3.31Å
313L94.4Very high90.9Very high31 Ų3138.6 Ų38.616%0.16220%0.2CC..Hα-helixtrans-68.2-30.3171.5-80.7168.8000113.6R309 S310 C311 L316 R317 W327 V346R309-L313 HydrophobicContact CG-CD1 4.17Å; R309-L313 VanDerWaalsContact O-CB 3.29Å; R309-L313 WeakPolarHBondContact O-CB 3.27Å; R309-L313 WeakPolarHBondContact O-CD1 3.04Å; R309-L313 VanDerWaalsContact O-CG 3.29Å; R309-L313 WeakPolarHBondContact O-CG 3.36Å; R309-L313 PolarHBondContact O-N 2.69Å; S310-L313 PolarHBondContact O-N 3.43Å; C311-L313 VanDerWaalsContact C-N 3.31Å; C311-L313 PolarHBondContact O-N 3.03Å; L313-L316 HydrophobicContact CD2-CD2 4.47Å; L313-R317 WeakPolarHBondContact O-CG 3.15Å; L313-R317 PolarHBondContact O-N 3.45Å; L313-R317 PolarHBondContact O-NH1 3.04Å; L313-W327 HydrophobicContact CD1-CH2 4.39Å; L313-W327 HydrophobicContact CD2-CH2 3.73Å; L313-W327 HydrophobicContact CG-CH2 3.92Å; L313-V346 HydrophobicContact CD2-CG1 3.78Å
314A94.8Very high91.4Very high46 Ų4637.8 Ų37.838%0.3819%0.192SC..Hα-helixtrans-69.8-41.2175.600000111.2S310 C311 R317S310-A314 WeakPolarHBondContact O-CB 3.31Å; S310-A314 PolarHBondContact O-N 3.44Å; C311-A314 WeakPolarHBondContact O-CA 3.32Å; C311-A314 WeakPolarHBondContact O-CB 3.31Å; C311-A314 PolarHBondContact O-N 3.27Å; A314-R317 PolarHBondContact O-N 3.29Å
315L94.8Very high92Very high13 Ų1337.4 Ų37.47%0.06819%0.191CC..Hα-helixtrans-65.4-43.3171.5-65.6-176.7000112.1Y146 F304 L307 C311 R317 R318 D319 P396Y146-L315 HydrophobicContact CD1-CD1 3.99Å; Y146-L315 HydrophobicContact CE1-CD1 3.73Å; Y146-L315 HydrophobicContact CE1-CD2 4.45Å; Y146-L315 HydrophobicContact CE1-CG 4.45Å; Y146-L315 HydrophobicContact CE2-CD1 4.36Å; Y146-L315 HydrophobicContact CE2-CD2 3.95Å; Y146-L315 HydrophobicContact CG-CD1 4.39Å; F304-L315 HydrophobicContact CE1-CD1 4.21Å; F304-L315 HydrophobicContact CE2-CB 4.36Å; F304-L315 HydrophobicContact CE2-CD1 3.59Å; F304-L315 HydrophobicContact CZ-CD1 3.39Å; L307-L315 HydrophobicContact CD1-CD1 3.53Å; C311-L315 PolarHBondContact O-N 2.95Å; L315-R317 PolarHBondContact O-N 3.14Å; L315-R318 WeakPolarHBondContact O-CA 3.35Å; L315-R318 WeakPolarHBondContact O-CB 3.4Å; L315-R318 PolarHBondContact O-N 2.81Å; L315-D319 PolarHBondContact O-N 3.21Å; L315-D319 VanDerWaalsContact O-N 3.16Å; L315-P396 HydrophobicContact CD1-CB 4.39Å; L315-P396 HydrophobicContact CD1-CG 4.3Å; L315-P396 HydrophobicContact CD2-CB 3.83Å
316L95.4Very high92.4Very high0 Ų036.9 Ų36.90%018%0.184CC..Hα-helixtrans-60-31.3179-172.261.4000113.1A312 L313 R318 D319 A323 L325 S339 R341 V346A312-L316 WeakPolarHBondContact O-CB 3.36Å; A312-L316 PolarHBondContact O-N 3.22Å; L313-L316 HydrophobicContact CD2-CD2 4.47Å; L316-R318 PolarHBondContact O-N 2.76Å; L316-D319 HydrophobicContact CD1-CB 4.38Å; L316-D319 PolarHBondContact O-N 3.05Å; L316-A323 HydrophobicContact CD1-CB 4.05Å; L316-A323 WeakPolarHBondContact CD1-O 3.45Å; L316-L325 HydrophobicContact CB-CD1 4.09Å; L316-L325 HydrophobicContact CD1-CG 4.26Å; L316-L325 HydrophobicContact CD2-CB 4.28Å; L316-L325 HydrophobicContact CD2-CD1 4.09Å; L316-L325 HydrophobicContact CD2-CG 4.06Å; L316-L325 HydrophobicContact CG-CD1 4.5Å; L316-S339 WeakPolarHBondContact CD2-O 3.46Å; L316-R341 HydrophobicContact CD1-CB 4.28Å; L316-R341 HydrophobicContact CG-CB 4.36Å; L316-R341 WeakPolarHBondContact O-CG 3.39Å; L316-V346 HydrophobicContact CB-CG2 4.34Å; L316-V346 HydrophobicContact CD2-CG1 3.85Å; L316-V346 HydrophobicContact CD2-CG2 4.17Å; L316-V346 HydrophobicContact CG-CG2 3.98Å
317R95.5Very high92.7Very high135 Ų13536.8 Ų36.851%0.50918%0.177SC..Hα-helixtrans-64.3-25.7172.6-73.4174.1-17497.2-10.5113.3L313 A314 L315 R341 V346L313-R317 WeakPolarHBondContact O-CG 3.15Å; L313-R317 PolarHBondContact O-N 3.45Å; L313-R317 PolarHBondContact O-NH1 3.04Å; A314-R317 PolarHBondContact O-N 3.29Å; L315-R317 PolarHBondContact O-N 3.14Å; R317-R341 PolarHBondContact O-NE 2.86Å; R317-R341 PolarHBondContact O-NH2 2.88Å; R317-V346 HydrophobicContact CB-CG2 4.46Å; R317-V346 HydrophobicContact CG-CG2 3.64Å
318R93.6Very high92.7Very high199 Ų19938.9 Ų38.975%0.75119%0.192SC*.Hα-helixtrans-94.8-12.2178.8-61.6-178.6178.8174.90.5113.6L315 L316 L394L315-R318 WeakPolarHBondContact O-CA 3.35Å; L315-R318 WeakPolarHBondContact O-CB 3.4Å; L315-R318 PolarHBondContact O-N 2.81Å; L316-R318 PolarHBondContact O-N 2.76Å; R318-L394 VanDerWaalsContact O-CD1 3.22Å; R318-L394 WeakPolarHBondContact O-CD1 3.49Å
319D94.9Very high92.4Very high9 Ų939 Ų395%0.04819%0.189CC..SBendtrans-75.7175.4-178-144.4-25.5000112.1L315 L316 A323 R393 L394L315-D319 PolarHBondContact O-N 3.21Å; L315-D319 VanDerWaalsContact O-N 3.16Å; L316-D319 HydrophobicContact CD1-CB 4.38Å; L316-D319 PolarHBondContact O-N 3.05Å; D319-A323 HydrophobicContact CB-CB 3.75Å; D319-R393 IonicContact OD2-CZ 3.31Å; D319-R393 IonicContact OD2-NE 3.66Å; D319-R393 PolarHBondContact OD2-NE 2.78Å; D319-R393 IonicContact OD2-NH2 2.94Å; D319-R393 PolarHBondContact OD2-NH2 3.28Å; D319-L394 PolarHBondContact OD1-N 2.94Å
320V94.2Very high91.9Very high0 Ų039.2 Ų39.20%020%0.204CC..  trans-64.8157-179.2-55.60000112.6T41 V45 Y94 A323 R341 G392 L394T41-V320 HydrophobicContact CG2-CG1 4.26Å; V45-V320 HydrophobicContact CG2-CB 4.39Å; V45-V320 HydrophobicContact CG2-CG1 3.64Å; Y94-V320 HydrophobicContact CD2-CG1 4.04Å; Y94-V320 HydrophobicContact CE2-CG1 3.61Å; Y94-V320 HydrophobicContact CE2-CG2 4.25Å; V320-A323 HydrophobicContact CG2-CB 3.85Å; V320-A323 WeakPolarHBondContact O-CB 3.49Å; V320-A323 PolarHBondContact O-N 2.73Å; V320-R341 WeakPolarHBondContact O-CB 3.49Å; V320-R341 WeakPolarHBondContact O-CG 3.49Å; V320-G392 WeakPolarHBondContact CG2-O 3.46Å; V320-L394 HydrophobicContact CG1-CD2 4.04Å; V320-L394 HydrophobicContact CG1-CG 3.92Å
321H93.6Very high91Very high45 Ų4539.4 Ų39.421%0.20822%0.22CC..THydrogen-bonded Turntrans-60.2141.2169-69.3142.4000110.2Q42 A323 R341 S390Q42-H321 VanDerWaalsContact CD-ND1 3.27Å; Q42-H321 WeakPolarHBondContact CG-ND1 3.44Å; Q42-H321 PolarHBondContact OE1-ND1 3.02Å; H321-A323 PolarHBondContact O-N 3.26Å; H321-R341 CarbonylContact C-O 3.59Å; H321-R341 WeakPolarHBondContact CA-O 3.41Å; H321-R341 PolarHBondContact CD2-NH1 3.17Å; H321-R341 PolarHBondContact NE2-NH1 3.42Å; H321-S390 WeakPolarHBondContact O-CB 3.44Å
322G93.3Very high90.1Very high0 Ų041.2 Ų41.20%023%0.23CC..THydrogen-bonded Turntrans78.4-14.7-171.200000114.3F324 R341 P388 L389 S390G322-F324 PolarHBondContact O-N 2.79Å; G322-R341 PolarHBondContact N-O 2.86Å; G322-P388 WeakPolarHBondContact CA-O 3.5Å; G322-L389 CarbonylContact O-C 3.55Å; G322-L389 WeakPolarHBondContact O-CA 3.16Å; G322-S390 PolarHBondContact O-N 2.82Å
323A94.7Very high89.2Confident0 Ų047.5 Ų47.50%027%0.274CS..  trans-57.3141.9174.500000109.7L316 D319 V320 H321 V340 R341L316-A323 HydrophobicContact CD1-CB 4.05Å; L316-A323 WeakPolarHBondContact CD1-O 3.45Å; D319-A323 HydrophobicContact CB-CB 3.75Å; V320-A323 HydrophobicContact CG2-CB 3.85Å; V320-A323 WeakPolarHBondContact O-CB 3.49Å; V320-A323 PolarHBondContact O-N 2.73Å; H321-A323 PolarHBondContact O-N 3.26Å; A323-V340 WeakPolarHBondContact O-CA 3.38Å; A323-R341 HydrophobicContact CB-CB 4.48Å; A323-R341 PolarHBondContact O-N 3.27Å
324F95Very high88.3Confident4 Ų447 Ų472%0.01828%0.276CS..EExtended strand (participates in β ladder)trans-139.9163.4-172.168.6-86.1000113.4W302 G322 L338 S339 V340 V375 L389 M391 R393W302-F324 AromaticContact CD1-CE2 3.81Å; W302-F324 AromaticContact CD1-CZ 3.96Å; W302-F324 HydrophobicContact CD2-CE2 4.06Å; W302-F324 HydrophobicContact CD2-CZ 4.45Å; W302-F324 AromaticContact CE2-CZ 3.94Å; W302-F324 AromaticContact CG-CE2 3.94Å; W302-F324 HydrophobicContact CG-CE2 3.94Å; W302-F324 HydrophobicContact CG-CZ 4.47Å; W302-F324 HydrophobicContact CZ2-CZ 4.44Å; W302-F324 AromaticContact NE1-CE2 3.87Å; W302-F324 AromaticContact NE1-CZ 3.63Å; G322-F324 PolarHBondContact O-N 2.79Å; F324-L338 HydrophobicContact CB-CD1 4.01Å; F324-L338 HydrophobicContact CD2-CD1 3.72Å; F324-L338 HydrophobicContact CG-CD1 4.16Å; F324-S339 CarbonylContact C-O 3.53Å; F324-S339 WeakPolarHBondContact CA-O 3.44Å; F324-S339 WeakPolarHBondContact CB-O 3.24Å; F324-V340 HydrophobicContact CB-CG2 4.25Å; F324-V375 HydrophobicContact CE1-CG1 4.06Å; F324-V375 HydrophobicContact CE2-CG1 4.11Å; F324-V375 HydrophobicContact CE2-CG2 4Å; F324-V375 HydrophobicContact CZ-CG1 3.49Å; F324-V375 VanDerWaalsContact CZ-CG1 3.49Å; F324-V375 HydrophobicContact CZ-CG2 4.24Å; F324-L389 HydrophobicContact CB-CD2 4.08Å; F324-L389 HydrophobicContact CD1-CB 3.94Å; F324-L389 HydrophobicContact CD1-CD1 4.32Å; F324-L389 HydrophobicContact CD1-CD2 4.21Å; F324-L389 HydrophobicContact CD1-CG 4.38Å; F324-L389 HydrophobicContact CE1-CB 4.18Å; F324-L389 HydrophobicContact CG-CD1 4.48Å; F324-L389 HydrophobicContact CG-CD2 4.26Å; F324-M391 HydrophobicContact CE1-SD 4.27Å; F324-R393 PolarHBondContact O-NH1 2.93Å
325L94.4Very high88Confident0 Ų048.5 Ų48.50%028%0.275CS..EExtended strand (participates in β ladder)trans-136.3145.5168.9-65.4176.2000109.7W302 F304 A312 L316 W327 L338 S339W302-L325 CarbonylContact O-C 3.56Å; W302-L325 WeakPolarHBondContact O-CA 3.43Å; W302-L325 WeakPolarHBondContact O-CB 3.27Å; W302-L325 VanDerWaalsContact O-CD2 3.24Å; W302-L325 WeakPolarHBondContact O-CD2 3.37Å; F304-L325 HydrophobicContact CB-CD1 4.5Å; F304-L325 HydrophobicContact CB-CD2 3.99Å; F304-L325 HydrophobicContact CD2-CD2 4.13Å; A312-L325 HydrophobicContact CB-CD1 3.84Å; A312-L325 WeakPolarHBondContact O-CD1 3.31Å; L316-L325 HydrophobicContact CB-CD1 4.09Å; L316-L325 HydrophobicContact CD1-CG 4.26Å; L316-L325 HydrophobicContact CD2-CB 4.28Å; L316-L325 HydrophobicContact CD2-CD1 4.09Å; L316-L325 HydrophobicContact CD2-CG 4.06Å; L316-L325 HydrophobicContact CG-CD1 4.5Å; L325-W327 HydrophobicContact CB-CE3 3.92Å; L325-W327 HydrophobicContact CB-CH2 4.29Å; L325-W327 HydrophobicContact CB-CZ3 3.44Å; L325-W327 VanDerWaalsContact CB-CZ3 3.44Å; L325-W327 HydrophobicContact CD1-CZ3 3.92Å; L325-W327 HydrophobicContact CG-CZ3 4.34Å; L325-L338 WeakPolarHBondContact O-CA 3.47Å; L325-S339 PolarHBondContact N-O 2.89Å; L325-S339 PolarHBondContact O-N 2.84Å
326L92Very high87.8Confident11 Ų1150 Ų506%0.05828%0.28CS..EExtended strand (participates in β ladder)trans-133.2123.3-178-178.970.6000109.3W302 A303 W336 L338 V351 L371W302-L326 CarbonylContact C-O 3.56Å; W302-L326 HydrophobicContact CB-CB 4.32Å; W302-L326 HydrophobicContact CE3-CD2 4.19Å; W302-L326 PolarHBondContact O-N 2.82Å; A303-L326 VanDerWaalsContact CA-O 3.31Å; A303-L326 WeakPolarHBondContact CA-O 3.41Å; A303-L326 WeakPolarHBondContact CB-O 3.23Å; L326-W336 HydrophobicContact CD1-CB 3.84Å; L326-L338 HydrophobicContact CB-CD1 4.44Å; L326-L338 HydrophobicContact CD1-CB 4.09Å; L326-L338 HydrophobicContact CD1-CD1 4.38Å; L326-V351 HydrophobicContact CD1-CG2 4.5Å; L326-L371 HydrophobicContact CD2-CB 4.22Å; L326-L371 HydrophobicContact CD2-CD1 4.19Å; L326-L371 HydrophobicContact CD2-CD2 4.13Å; L326-L371 HydrophobicContact CD2-CG 4.4Å
327W87.6Confident87.6Confident20 Ų2050.1 Ų50.18%0.07628%0.28CS..EExtended strand (participates in β ladder)trans-136.4147.7178.946.569.8000110.7L313 L325 W336 S337 S339L313-W327 HydrophobicContact CD1-CH2 4.39Å; L313-W327 HydrophobicContact CD2-CH2 3.73Å; L313-W327 HydrophobicContact CG-CH2 3.92Å; L325-W327 HydrophobicContact CB-CE3 3.92Å; L325-W327 HydrophobicContact CB-CH2 4.29Å; L325-W327 HydrophobicContact CB-CZ3 3.44Å; L325-W327 VanDerWaalsContact CB-CZ3 3.44Å; L325-W327 HydrophobicContact CD1-CZ3 3.92Å; L325-W327 HydrophobicContact CG-CZ3 4.34Å; W327-W336 CarbonylContact O-C 3.46Å; W327-W336 WeakPolarHBondContact O-CA 3.32Å; W327-W336 WeakPolarHBondContact O-CB 3.18Å; W327-S337 PolarHBondContact N-O 3.39Å; W327-S337 PolarHBondContact O-N 2.83Å; W327-S339 VanDerWaalsContact CH2-CB 3.49Å; W327-S339 WeakPolarHBondContact CH2-OG 3.46Å; W327-S339 WeakPolarHBondContact CZ2-OG 3.45Å
328P85.1Confident87.5Confident59 Ų5943.7 Ų43.738%0.38326%0.256SS..EExtended strand (participates in β ladder)trans-64.8143.4167.129.8-34.2000109.7Q335P328-Q335 WeakPolarHBondContact CA-O 3.49Å
329E83Confident87.6Confident33 Ų3334.2 Ų34.215%0.15422%0.221CC..PPolyproline II helixtrans-82.7145.2173.3-72.3-68.6-176.100111R309 Q335 S337R309-E329 IonicContact CZ-OE1 2.65Å; R309-E329 IonicContact CZ-OE2 3.51Å; R309-E329 IonicContact NH1-OE1 2.68Å; R309-E329 PolarHBondContact NH1-OE1 2.85Å; R309-E329 IonicContact NH1-OE2 3.52Å; R309-E329 PolarHBondContact NH1-OE2 3.4Å; R309-E329 IonicContact NH2-OE1 3.2Å; R309-E329 PolarHBondContact NH2-OE1 3.01Å; R309-E329 IonicContact NH2-OE2 2.72Å; R309-E329 PolarHBondContact NH2-OE2 3.25Å; E329-Q335 HydrophobicContact CB-CB 4.47Å; E329-Q335 PolarHBondContact N-O 3.43Å; E329-S337 WeakPolarHBondContact OE1-CB 3.21Å
330P77.6Confident87.5Confident111 Ų11133.9 Ų33.972%0.72122%0.219SC*.THydrogen-bonded Turntrans-76.9132.2-176.130.9-32.5000111.2
331G73.1Confident87.6Confident89 Ų8936 Ų3692%0.91823%0.227SC*.THydrogen-bonded Turntrans93-17175.500000115.3
332T73.5Confident87.6Confident58 Ų5834.2 Ų34.236%0.35622%0.219SC..  trans-116.4107-178.942.70000112.3G334 Q335T332-G334 PolarHBondContact O-N 2.92Å; T332-Q335 PolarHBondContact O-N 2.85Å; T332-Q335 PolarHBondContact OG1-OE1 3.26Å
333S73.1Confident87.4Confident134 Ų13442.1 Ų42.194%0.93726%0.256SS*.THydrogen-bonded Turntrans-64132.5172.2-171.50000110.2
334G76Confident87.3Confident20 Ų2048.1 Ų48.121%0.20630%0.296CS..THydrogen-bonded Turntrans80.119.3-17900000115T332 W336 F352 R353T332-G334 PolarHBondContact O-N 2.92Å; G334-W336 VanDerWaalsContact O-CZ3 3.25Å; G334-W336 WeakPolarHBondContact O-CZ3 3.38Å; G334-F352 WeakPolarHBondContact O-CA 3.19Å; G334-R353 PolarHBondContact O-N 2.9Å
335Q87.5Confident87.2Confident79 Ų7949 Ų4937%0.36931%0.307SS..EExtended strand (participates in β ladder)trans-124.1140.9170.2-69.9-175.8-19.400112.3P328 E329 T332 V351 F352P328-Q335 WeakPolarHBondContact CA-O 3.49Å; E329-Q335 HydrophobicContact CB-CB 4.47Å; E329-Q335 PolarHBondContact N-O 3.43Å; T332-Q335 PolarHBondContact O-N 2.85Å; T332-Q335 PolarHBondContact OG1-OE1 3.26Å; Q335-V351 WeakPolarHBondContact CA-O 3.5Å; Q335-F352 HydrophobicContact CG-CB 4.46Å
336W90.6Very high87.2Confident45 Ų4550.7 Ų50.717%0.1732%0.317CS..EExtended strand (participates in β ladder)trans-135.5158.7173.7-59.5-107.6000108.4L326 W327 G334 Q350 V351 R353 Y359 L371L326-W336 HydrophobicContact CD1-CB 3.84Å; W327-W336 CarbonylContact O-C 3.46Å; W327-W336 WeakPolarHBondContact O-CA 3.32Å; W327-W336 WeakPolarHBondContact O-CB 3.18Å; G334-W336 VanDerWaalsContact O-CZ3 3.25Å; G334-W336 WeakPolarHBondContact O-CZ3 3.38Å; W336-Q350 PolarHBondContact O-OE1 3.45Å; W336-V351 HydrophobicContact CB-CB 4.27Å; W336-V351 PolarHBondContact N-O 2.91Å; W336-V351 PolarHBondContact O-N 3.36Å; W336-V351 VanDerWaalsContact O-O 3.07Å; W336-R353 HydrophobicContact CH2-CB 4.49Å; W336-R353 HydrophobicContact CZ3-CB 4.07Å; W336-Y359 HydrophobicContact CE3-CD1 4.26Å; W336-Y359 HydrophobicContact CE3-CE1 4.11Å; W336-Y359 HydrophobicContact CH2-CD1 4.36Å; W336-Y359 AromaticContact CH2-CE1 3.49Å; W336-Y359 HydrophobicContact CH2-CE1 3.49Å; W336-Y359 VanDerWaalsContact CH2-CE1 3.49Å; W336-Y359 HydrophobicContact CZ2-CE1 4.07Å; W336-Y359 AromaticContact CZ3-CD1 3.9Å; W336-Y359 HydrophobicContact CZ3-CD1 3.9Å; W336-Y359 AromaticContact CZ3-CE1 3.49Å; W336-Y359 HydrophobicContact CZ3-CE1 3.49Å; W336-Y359 VanDerWaalsContact CZ3-CE1 3.49Å; W336-L371 HydrophobicContact CD2-CD1 4.09Å; W336-L371 HydrophobicContact CG-CD1 4.38Å; W336-L371 HydrophobicContact CZ2-CD1 4.24Å
337S91.7Very high87.3Confident1 Ų152 Ų521%0.00733%0.325CS..EExtended strand (participates in β ladder)trans-118.1131.2165.8169.20000110.4W327 E329 H349W327-S337 PolarHBondContact N-O 3.39Å; W327-S337 PolarHBondContact O-N 2.83Å; E329-S337 WeakPolarHBondContact OE1-CB 3.21Å; S337-H349 CarbonylContact C-O 3.58Å; S337-H349 VanDerWaalsContact CA-O 3.32Å; S337-H349 WeakPolarHBondContact CA-O 3.5Å; S337-H349 PolarHBondContact OG-O 2.85Å
338L93.4Very high87.5Confident1 Ų154.1 Ų54.11%0.00534%0.343CS..EExtended strand (participates in β ladder)trans-97.5111.2174.6176.866.4000107.7F324 L325 L326 V340 S348 H349 V351 L361 L374 L385 L389F324-L338 HydrophobicContact CB-CD1 4.01Å; F324-L338 HydrophobicContact CD2-CD1 3.72Å; F324-L338 HydrophobicContact CG-CD1 4.16Å; L325-L338 WeakPolarHBondContact O-CA 3.47Å; L326-L338 HydrophobicContact CB-CD1 4.44Å; L326-L338 HydrophobicContact CD1-CB 4.09Å; L326-L338 HydrophobicContact CD1-CD1 4.38Å; L338-V340 HydrophobicContact CD1-CG2 4.47Å; L338-V340 HydrophobicContact CD2-CG2 4.28Å; L338-V340 HydrophobicContact CG-CG2 3.94Å; L338-S348 WeakPolarHBondContact O-CA 3.48Å; L338-H349 PolarHBondContact N-O 2.86Å; L338-H349 PolarHBondContact O-N 3.41Å; L338-V351 HydrophobicContact CB-CG2 3.96Å; L338-L361 HydrophobicContact CD2-CD1 4.43Å; L338-L361 HydrophobicContact CD2-CD2 4.14Å; L338-L374 HydrophobicContact CD2-CD2 4.4Å; L338-L385 HydrophobicContact CD2-CD1 4.48Å; L338-L389 HydrophobicContact CD2-CD1 4.35Å
339S94.5Very high87.8Confident0 Ų052.7 Ų52.70%033%0.332CS..EExtended strand (participates in β ladder)trans-101.9130172.5-67.20000110.6L316 F324 L325 W327 V347 S348L316-S339 WeakPolarHBondContact CD2-O 3.46Å; F324-S339 CarbonylContact C-O 3.53Å; F324-S339 WeakPolarHBondContact CA-O 3.44Å; F324-S339 WeakPolarHBondContact CB-O 3.24Å; L325-S339 PolarHBondContact N-O 2.89Å; L325-S339 PolarHBondContact O-N 2.84Å; W327-S339 VanDerWaalsContact CH2-CB 3.49Å; W327-S339 WeakPolarHBondContact CH2-OG 3.46Å; W327-S339 WeakPolarHBondContact CZ2-OG 3.45Å; S339-V347 CarbonylContact C-O 3.58Å; S339-V347 VanDerWaalsContact CA-O 3.32Å; S339-V347 WeakPolarHBondContact CA-O 3.25Å; S339-S348 PolarHBondContact OG-OG 3.48Å
340V94.6Very high88.2Confident2 Ų254.1 Ų54.11%0.01234%0.338CS..EExtended strand (participates in β ladder)trans-125.3134.6-173.5-170.60000109.6A323 F324 L338 T342 V346 V347 L389A323-V340 WeakPolarHBondContact O-CA 3.38Å; F324-V340 HydrophobicContact CB-CG2 4.25Å; L338-V340 HydrophobicContact CD1-CG2 4.47Å; L338-V340 HydrophobicContact CD2-CG2 4.28Å; L338-V340 HydrophobicContact CG-CG2 3.94Å; V340-T342 HydrophobicContact CG1-CG2 4.41Å; V340-T342 PolarHBondContact O-N 2.8Å; V340-V346 WeakPolarHBondContact O-CA 3.22Å; V340-V347 PolarHBondContact N-O 3.4Å; V340-V347 PolarHBondContact O-N 3.22Å; V340-L389 HydrophobicContact CB-CD2 4.35Å; V340-L389 HydrophobicContact CG1-CD2 3.79Å; V340-L389 HydrophobicContact CG2-CD2 3.55Å
341R94.8Very high88.9Confident45 Ų4548.8 Ų48.817%0.1730%0.304CS..EExtended strand (participates in β ladder)trans-78106.1172.3178.250.3166.787.317.6109.7L316 R317 V320 H321 G322 A323 G345L316-R341 HydrophobicContact CD1-CB 4.28Å; L316-R341 HydrophobicContact CG-CB 4.36Å; L316-R341 WeakPolarHBondContact O-CG 3.39Å; R317-R341 PolarHBondContact O-NE 2.86Å; R317-R341 PolarHBondContact O-NH2 2.88Å; V320-R341 WeakPolarHBondContact O-CB 3.49Å; V320-R341 WeakPolarHBondContact O-CG 3.49Å; H321-R341 CarbonylContact C-O 3.59Å; H321-R341 WeakPolarHBondContact CA-O 3.41Å; H321-R341 PolarHBondContact CD2-NH1 3.17Å; H321-R341 PolarHBondContact NE2-NH1 3.42Å; G322-R341 PolarHBondContact N-O 2.86Å; A323-R341 HydrophobicContact CB-CB 4.48Å; A323-R341 PolarHBondContact O-N 3.27Å; R341-G345 CarbonylContact C-O 3.45Å; R341-G345 WeakPolarHBondContact CA-O 3.26Å; R341-G345 VanDerWaalsContact CD-O 3.31Å; R341-G345 WeakPolarHBondContact CD-O 3.24Å
342T93.2Very high89.8Confident7 Ų748.4 Ų48.44%0.04328%0.277CS..EExtended strand (participates in β ladder)trans-107.6173.4175.376.30000110V340 C344 G345 V347 F386 C387V340-T342 HydrophobicContact CG1-CG2 4.41Å; V340-T342 PolarHBondContact O-N 2.8Å; T342-C344 PolarHBondContact O-N 3.1Å; T342-C344 PolarHBondContact OG1-N 3.02Å; T342-G345 PolarHBondContact N-O 3.13Å; T342-G345 PolarHBondContact O-N 3.32Å; T342-G345 VanDerWaalsContact O-N 3.11Å; T342-V347 HydrophobicContact CG2-CB 4.19Å; T342-V347 HydrophobicContact CG2-CG2 3.8Å; T342-V347 WeakPolarHBondContact OG1-CG2 3.2Å; T342-F386 HydrophobicContact CG2-CB 4.26Å; T342-C387 HydrophobicContact CG2-CB 4.12Å
343Q90.9Very high90.7Very high166 Ų16650.4 Ų50.478%0.77628%0.278SS*.THydrogen-bonded Turntrans-57.7-27.9175.4-69.7176.2-10.400113
344C90.8Very high91.4Very high125 Ų12545 Ų4585%0.84524%0.239SC*.THydrogen-bonded Turntrans-85.6-1.3-179.6-53.90000114.1T342T342-C344 PolarHBondContact O-N 3.1Å; T342-C344 PolarHBondContact OG1-N 3.02Å
345G93.4Very high92Very high23 Ų2352.4 Ų52.424%0.23727%0.267CS..EExtended strand (participates in β ladder)trans127.8-137.5-177.900000112.3R341 T342R341-G345 CarbonylContact C-O 3.45Å; R341-G345 WeakPolarHBondContact CA-O 3.26Å; R341-G345 VanDerWaalsContact CD-O 3.31Å; R341-G345 WeakPolarHBondContact CD-O 3.24Å; T342-G345 PolarHBondContact N-O 3.13Å; T342-G345 PolarHBondContact O-N 3.32Å; T342-G345 VanDerWaalsContact O-N 3.11Å
346V94.6Very high92.2Very high35 Ų3553.8 Ų53.821%0.21228%0.276CS..EExtended strand (participates in β ladder)trans-108.4120.2169.8173.60000108.3L313 L316 R317 V340L313-V346 HydrophobicContact CD2-CG1 3.78Å; L316-V346 HydrophobicContact CB-CG2 4.34Å; L316-V346 HydrophobicContact CD2-CG1 3.85Å; L316-V346 HydrophobicContact CD2-CG2 4.17Å; L316-V346 HydrophobicContact CG-CG2 3.98Å; R317-V346 HydrophobicContact CB-CG2 4.46Å; R317-V346 HydrophobicContact CG-CG2 3.64Å; V340-V346 WeakPolarHBondContact O-CA 3.22Å
347V93.4Very high92Very high38 Ų3852.9 Ų52.923%0.2328%0.281CS..EExtended strand (participates in β ladder)trans-100.5138.3174.9-176.40000107.8S339 V340 T342 H349 F386S339-V347 CarbonylContact C-O 3.58Å; S339-V347 VanDerWaalsContact CA-O 3.32Å; S339-V347 WeakPolarHBondContact CA-O 3.25Å; V340-V347 PolarHBondContact N-O 3.4Å; V340-V347 PolarHBondContact O-N 3.22Å; T342-V347 HydrophobicContact CG2-CB 4.19Å; T342-V347 HydrophobicContact CG2-CG2 3.8Å; T342-V347 WeakPolarHBondContact OG1-CG2 3.2Å; V347-H349 WeakPolarHBondContact CG1-NE2 3.2Å; V347-F386 HydrophobicContact CG1-CD2 4.44Å; V347-F386 HydrophobicContact CG1-CE2 4.49Å
348S92.2Very high92Very high65 Ų6558.3 Ų58.346%0.45530%0.301SS..EExtended strand (participates in β ladder)trans-117.3129.4179.4-59.60000109.8L338 S339L338-S348 WeakPolarHBondContact O-CA 3.48Å; S339-S348 PolarHBondContact OG-OG 3.48Å
349H91.6Very high91.9Very high30 Ų3059.3 Ų59.314%0.13931%0.306CS..EExtended strand (participates in β ladder)trans-113.3146175.4-58.4-93.2000109.1S337 L338 V347 L361S337-H349 CarbonylContact C-O 3.58Å; S337-H349 VanDerWaalsContact CA-O 3.32Å; S337-H349 WeakPolarHBondContact CA-O 3.5Å; S337-H349 PolarHBondContact OG-O 2.85Å; L338-H349 PolarHBondContact N-O 2.86Å; L338-H349 PolarHBondContact O-N 3.41Å; V347-H349 WeakPolarHBondContact CG1-NE2 3.2Å; H349-L361 HydrophobicContact CB-CD2 3.56Å
350Q92.8Very high91.8Very high62 Ų6259.6 Ų59.629%0.2931%0.307SS..EExtended strand (participates in β ladder)trans-84.1140.8168.9-60.9-61-23.800110.7W336 E362W336-Q350 PolarHBondContact O-OE1 3.45Å; Q350-E362 HydrophobicContact CB-CB 4.15Å; Q350-E362 WeakPolarHBondContact CB-OE2 3.28Å; Q350-E362 WeakPolarHBondContact CG-OE2 3.37Å; Q350-E362 WeakPolarHBondContact O-CB 3.47Å; Q350-E362 PolarHBondContact O-N 2.87Å
351V92.1Very high91.6Very high0 Ų059.5 Ų59.50%031%0.307CS..EExtended strand (participates in β ladder)trans-119.9124173.8178.10000107.5L326 Q335 W336 L338 Y359 C360 L361 L371 L374L326-V351 HydrophobicContact CD1-CG2 4.5Å; Q335-V351 WeakPolarHBondContact CA-O 3.5Å; W336-V351 HydrophobicContact CB-CB 4.27Å; W336-V351 PolarHBondContact N-O 2.91Å; W336-V351 PolarHBondContact O-N 3.36Å; W336-V351 VanDerWaalsContact O-O 3.07Å; L338-V351 HydrophobicContact CB-CG2 3.96Å; V351-Y359 HydrophobicContact CG1-CD1 4.4Å; V351-C360 VanDerWaalsContact CA-O 3.32Å; V351-C360 WeakPolarHBondContact CA-O 3.48Å; V351-L361 HydrophobicContact CG2-CD2 3.52Å; V351-L361 HydrophobicContact CG2-CG 4.04Å; V351-L371 HydrophobicContact CG1-CD2 3.66Å; V351-L374 HydrophobicContact CG1-CD1 3.73Å; V351-L374 HydrophobicContact CG2-CD1 4.4Å
352F91.8Very high91.2Very high81 Ų8161.2 Ų61.236%0.35532%0.317SS..EExtended strand (participates in β ladder)trans-123.4146.6-176.958.1-85.6000111.3G334 Q335 Y359 C360G334-F352 WeakPolarHBondContact O-CA 3.19Å; Q335-F352 HydrophobicContact CG-CB 4.46Å; F352-Y359 WeakPolarHBondContact O-CA 3.28Å; F352-C360 WeakPolarHBondContact CD1-O 3.37Å; F352-C360 HydrophobicContact CD2-CB 4.22Å; F352-C360 HydrophobicContact CE1-CB 3.97Å; F352-C360 HydrophobicContact CE2-CB 3.64Å; F352-C360 HydrophobicContact CZ-CB 3.5Å; F352-C360 PolarHBondContact N-O 2.88Å; F352-C360 PolarHBondContact O-N 3.15Å
353R91.4Very high90.7Very high100 Ų10069.3 Ų69.338%0.37735%0.354SS..EExtended strand (participates in β ladder)trans-86.3120.1171.3-159173.8-171.6-179.41.6109.2E184 G334 W336 G357 R358 Y359E184-R353 IonicContact OE2-CZ 3.83Å; E184-R353 IonicContact OE2-NH1 3.99Å; E184-R353 PolarHBondContact OE2-NH1 3.05Å; E184-R353 IonicContact OE2-NH2 2.86Å; G334-R353 PolarHBondContact O-N 2.9Å; W336-R353 HydrophobicContact CH2-CB 4.49Å; W336-R353 HydrophobicContact CZ3-CB 4.07Å; R353-G357 WeakPolarHBondContact CG-O 3.17Å; R353-G357 PolarHBondContact NE-O 2.92Å; R353-R358 CarbonylContact C-O 3.48Å; R353-R358 VanDerWaalsContact CA-O 3.23Å; R353-R358 WeakPolarHBondContact CA-O 3.45Å; R353-Y359 HydrophobicContact CG-CE1 4.4Å
354N89.2Confident90.5Very high21 Ų2163.5 Ų63.511%0.11233%0.328CS..  trans-74.2173.9177.281.4-1.1000111.5L356 G357 R358 E367N354-L356 PolarHBondContact O-N 3.07Å; N354-L356 VanDerWaalsContact OD1-CA 3.32Å; N354-L356 WeakPolarHBondContact OD1-CA 3.21Å; N354-L356 WeakPolarHBondContact OD1-CB 3.48Å; N354-L356 PolarHBondContact OD1-N 2.72Å; N354-G357 PolarHBondContact O-N 3.25Å; N354-G357 PolarHBondContact OD1-N 3.06Å; N354-G357 VanDerWaalsContact OD1-N 3.09Å; N354-R358 PolarHBondContact N-O 3.41Å; N354-R358 WeakPolarHBondContact OD1-CB 3.2Å; N354-R358 PolarHBondContact OD1-N 2.84Å; N354-R358 PolarHBondContact OD1-O 3.33Å; N354-E367 PolarHBondContact ND2-OE1 2.88Å; N354-E367 PolarHBondContact ND2-OE2 2.82Å
355H88.4Confident90.2Very high174 Ų17463.7 Ų63.781%0.80633%0.327SS*.THydrogen-bonded Turntrans-66.9-13179.565.1-90.1000114.2G357H355-G357 VanDerWaalsContact C-N 3.34Å
356L90.1Very high90Very high108 Ų10864.6 Ų64.657%0.56533%0.332SS*.THydrogen-bonded Turntrans-90.73172.1-53.8177.4000112.3N354 R358N354-L356 PolarHBondContact O-N 3.07Å; N354-L356 VanDerWaalsContact OD1-CA 3.32Å; N354-L356 WeakPolarHBondContact OD1-CA 3.21Å; N354-L356 WeakPolarHBondContact OD1-CB 3.48Å; N354-L356 PolarHBondContact OD1-N 2.72Å; L356-R358 VanDerWaalsContact C-N 3.29Å; L356-R358 PolarHBondContact O-N 3.11Å
357G88Confident89.9Confident26 Ų2666.7 Ų66.727%0.26834%0.34SS..SBendtrans80.51.2-179.100000115.2R353 N354 H355R353-G357 WeakPolarHBondContact CG-O 3.17Å; R353-G357 PolarHBondContact NE-O 2.92Å; N354-G357 PolarHBondContact O-N 3.25Å; N354-G357 PolarHBondContact OD1-N 3.06Å; N354-G357 VanDerWaalsContact OD1-N 3.09Å; H355-G357 VanDerWaalsContact C-N 3.34Å
358R91.6Very high89.9Confident115 Ų11565.9 Ų65.943%0.43433%0.333SS..  trans-82.2161.9177.8-65.1172.8171.8-178.8-5.9111.6R353 N354 L356 E367 F368R353-R358 CarbonylContact C-O 3.48Å; R353-R358 VanDerWaalsContact CA-O 3.23Å; R353-R358 WeakPolarHBondContact CA-O 3.45Å; N354-R358 PolarHBondContact N-O 3.41Å; N354-R358 WeakPolarHBondContact OD1-CB 3.2Å; N354-R358 PolarHBondContact OD1-N 2.84Å; N354-R358 PolarHBondContact OD1-O 3.33Å; L356-R358 VanDerWaalsContact C-N 3.29Å; L356-R358 PolarHBondContact O-N 3.11Å; R358-E367 HydrophobicContact CB-CB 4.26Å; R358-E367 WeakPolarHBondContact CD-OE2 3.09Å; R358-E367 IonicContact CZ-OE2 2.79Å; R358-E367 IonicContact NE-OE2 2.71Å; R358-E367 IonicContact NH1-OE2 2.74Å; R358-E367 PolarHBondContact NH1-OE2 3.43Å; R358-F368 CarbonylContact C-O 3.57Å; R358-F368 VanDerWaalsContact CA-O 3.3Å; R358-F368 WeakPolarHBondContact CA-O 3.45Å; R358-F368 VanDerWaalsContact CB-O 3.3Å; R358-F368 WeakPolarHBondContact CB-O 3.19Å
359Y91.3Very high89.9Confident23 Ų2367.5 Ų67.59%0.0934%0.343CS..EExtended strand (participates in β ladder)trans-105.8134.1-178.6-60.7-94.2000110.9W336 V351 F352 R353 F368 L371W336-Y359 HydrophobicContact CE3-CD1 4.26Å; W336-Y359 HydrophobicContact CE3-CE1 4.11Å; W336-Y359 HydrophobicContact CH2-CD1 4.36Å; W336-Y359 AromaticContact CH2-CE1 3.49Å; W336-Y359 HydrophobicContact CH2-CE1 3.49Å; W336-Y359 VanDerWaalsContact CH2-CE1 3.49Å; W336-Y359 HydrophobicContact CZ2-CE1 4.07Å; W336-Y359 AromaticContact CZ3-CD1 3.9Å; W336-Y359 HydrophobicContact CZ3-CD1 3.9Å; W336-Y359 AromaticContact CZ3-CE1 3.49Å; W336-Y359 HydrophobicContact CZ3-CE1 3.49Å; W336-Y359 VanDerWaalsContact CZ3-CE1 3.49Å; V351-Y359 HydrophobicContact CG1-CD1 4.4Å; F352-Y359 WeakPolarHBondContact O-CA 3.28Å; R353-Y359 HydrophobicContact CG-CE1 4.4Å; Y359-F368 PolarHBondContact N-O 3.11Å; Y359-F368 WeakPolarHBondContact O-CD2 3.37Å; Y359-F368 PolarHBondContact O-N 2.91Å; Y359-L371 HydrophobicContact CD1-CD1 4.09Å; Y359-L371 HydrophobicContact CD1-CD2 3.42Å; Y359-L371 VanDerWaalsContact CD1-CD2 3.42Å; Y359-L371 HydrophobicContact CD1-CG 3.5Å; Y359-L371 HydrophobicContact CD2-CG 4.42Å; Y359-L371 HydrophobicContact CE1-CD1 3.67Å; Y359-L371 HydrophobicContact CE1-CD2 3.92Å; Y359-L371 HydrophobicContact CE1-CG 3.51Å; Y359-L371 HydrophobicContact CE2-CG 4.47Å; Y359-L371 HydrophobicContact CG-CD2 3.92Å; Y359-L371 HydrophobicContact CG-CG 3.96Å
360C91.5Very high89.8Confident5 Ų567.2 Ų67.23%0.03434%0.344CS..EExtended strand (participates in β ladder)trans-131147.3179.8-500000109.8V351 F352V351-C360 VanDerWaalsContact CA-O 3.32Å; V351-C360 WeakPolarHBondContact CA-O 3.48Å; F352-C360 WeakPolarHBondContact CD1-O 3.37Å; F352-C360 HydrophobicContact CD2-CB 4.22Å; F352-C360 HydrophobicContact CE1-CB 3.97Å; F352-C360 HydrophobicContact CE2-CB 3.64Å; F352-C360 HydrophobicContact CZ-CB 3.5Å; F352-C360 PolarHBondContact N-O 2.88Å; F352-C360 PolarHBondContact O-N 3.15Å
361L91.1Very high89.6Confident1 Ų164.3 Ų64.31%0.00533%0.33CS..EExtended strand (participates in β ladder)trans-90.6144.7171.6-91.6160.7000110.5L338 H349 V351 H363 L364 L374 L385L338-L361 HydrophobicContact CD2-CD1 4.43Å; L338-L361 HydrophobicContact CD2-CD2 4.14Å; H349-L361 HydrophobicContact CB-CD2 3.56Å; V351-L361 HydrophobicContact CG2-CD2 3.52Å; V351-L361 HydrophobicContact CG2-CG 4.04Å; L361-H363 PolarHBondContact O-N 3.11Å; L361-L364 HydrophobicContact CB-CB 4.05Å; L361-L364 HydrophobicContact CB-CD1 3.82Å; L361-L364 HydrophobicContact CB-CG 4.28Å; L361-L364 HydrophobicContact CD1-CD1 3.93Å; L361-L364 HydrophobicContact CG-CD1 4.49Å; L361-L364 PolarHBondContact O-N 3.19Å; L361-L364 VanDerWaalsContact O-N 3.1Å; L361-L374 HydrophobicContact CD1-CD2 3.91Å; L361-L374 HydrophobicContact CD1-CG 4.38Å; L361-L374 HydrophobicContact CG-CD1 4.33Å; L361-L374 HydrophobicContact CG-CD2 4.28Å; L361-L385 HydrophobicContact CD1-CD2 4.48Å
362E86.2Confident89.4Confident81 Ų8166.6 Ų66.638%0.37934%0.341SS..THydrogen-bonded Turntrans-56.6132.5174.6-167172-154.700111.5Q350 L364Q350-E362 HydrophobicContact CB-CB 4.15Å; Q350-E362 WeakPolarHBondContact CB-OE2 3.28Å; Q350-E362 WeakPolarHBondContact CG-OE2 3.37Å; Q350-E362 WeakPolarHBondContact O-CB 3.47Å; Q350-E362 PolarHBondContact O-N 2.87Å; E362-L364 PolarHBondContact O-N 3.22Å
363H83.4Confident89.2Confident177 Ų17763.9 Ų63.982%0.81933%0.333SS*.THydrogen-bonded Turntrans62.65.9-174-44.7-51000116.9L361L361-H363 PolarHBondContact O-N 3.11Å
364L86.2Confident89.2Confident43 Ų4359.2 Ų59.223%0.22532%0.316CS..  trans-109.2136.9176-66.7178.5000112L361 E362 A366 L385L361-L364 HydrophobicContact CB-CB 4.05Å; L361-L364 HydrophobicContact CB-CD1 3.82Å; L361-L364 HydrophobicContact CB-CG 4.28Å; L361-L364 HydrophobicContact CD1-CD1 3.93Å; L361-L364 HydrophobicContact CG-CD1 4.49Å; L361-L364 PolarHBondContact O-N 3.19Å; L361-L364 VanDerWaalsContact O-N 3.1Å; E362-L364 PolarHBondContact O-N 3.22Å; L364-A366 VanDerWaalsContact C-N 3.32Å; L364-A366 PolarHBondContact O-N 2.99Å; L364-L385 HydrophobicContact CD1-CD2 4.33Å
365P84.4Confident89.2Confident129 Ų12958.2 Ų58.284%0.83831%0.311SS*.  trans-82.4-4.3-175.734.1-37.3000114.3
366A89.7Confident89.1Confident42 Ų4255.6 Ų55.635%0.34730%0.299SS..  trans-82.4133.3-176.300000111.8L364 F368L364-A366 VanDerWaalsContact C-N 3.32Å; L364-A366 PolarHBondContact O-N 2.99Å; A366-F368 HydrophobicContact CB-CE2 3.68Å; A366-F368 HydrophobicContact CB-CZ 3.56Å
367E92.1Very high89Confident80 Ų8052 Ų5237%0.37428%0.282SS..EExtended strand (participates in β ladder)trans-112137.3175.4-45.1-164.213700111.2N354 R358N354-E367 PolarHBondContact ND2-OE1 2.88Å; N354-E367 PolarHBondContact ND2-OE2 2.82Å; R358-E367 HydrophobicContact CB-CB 4.26Å; R358-E367 WeakPolarHBondContact CD-OE2 3.09Å; R358-E367 IonicContact CZ-OE2 2.79Å; R358-E367 IonicContact NE-OE2 2.71Å; R358-E367 IonicContact NH1-OE2 2.74Å; R358-E367 PolarHBondContact NH1-OE2 3.43Å
368F92.3Very high89.1Confident20 Ų2050.9 Ų50.99%0.08827%0.27CS..EExtended strand (participates in β ladder)trans-119.6142.7-175.2-58.7-80.5000111.8R358 Y359 A366 S370 A373 L374 S377 H378R358-F368 CarbonylContact C-O 3.57Å; R358-F368 VanDerWaalsContact CA-O 3.3Å; R358-F368 WeakPolarHBondContact CA-O 3.45Å; R358-F368 VanDerWaalsContact CB-O 3.3Å; R358-F368 WeakPolarHBondContact CB-O 3.19Å; Y359-F368 PolarHBondContact N-O 3.11Å; Y359-F368 WeakPolarHBondContact O-CD2 3.37Å; Y359-F368 PolarHBondContact O-N 2.91Å; A366-F368 HydrophobicContact CB-CE2 3.68Å; A366-F368 HydrophobicContact CB-CZ 3.56Å; F368-S370 PolarHBondContact O-N 3.23Å; F368-A373 HydrophobicContact CB-CB 4.36Å; F368-A373 WeakPolarHBondContact CD1-O 3.44Å; F368-L374 HydrophobicContact CB-CB 3.83Å; F368-L374 HydrophobicContact CD1-CB 4.4Å; F368-L374 HydrophobicContact CD2-CB 3.71Å; F368-L374 HydrophobicContact CD2-CD1 3.9Å; F368-L374 HydrophobicContact CD2-CG 3.64Å; F368-L374 HydrophobicContact CE2-CB 4.44Å; F368-L374 HydrophobicContact CE2-CG 4.07Å; F368-L374 VanDerWaalsContact CG-CA 3.5Å; F368-L374 HydrophobicContact CG-CB 3.69Å; F368-L374 HydrophobicContact CG-CG 4.17Å; F368-S377 WeakPolarHBondContact CE1-OG 3.48Å; F368-H378 AromaticContact CE2-CE1 3.64Å; F368-H378 AromaticContact CZ-CE1 3.55Å
369P92.8Very high88.9Confident100 Ų10047 Ų4765%0.64926%0.262SS*.SBendtrans-67.6-24.7179.328.2-35.5000113A373P369-A373 HydrophobicContact CG-CB 3.82Å
370S89.5Confident88.2Confident23 Ų2347.4 Ų47.416%0.16127%0.274CS..SBendtrans-150.3172.4178.883.30000111.4F368 E372 A373 L374F368-S370 PolarHBondContact O-N 3.23Å; S370-E372 VanDerWaalsContact C-N 3.32Å; S370-E372 WeakPolarHBondContact CB-OE2 3.29Å; S370-E372 PolarHBondContact OG-N 3.12Å; S370-E372 PolarHBondContact OG-OE2 3.17Å; S370-A373 PolarHBondContact OG-N 3.45Å; S370-L374 PolarHBondContact O-N 3.23Å
371L87.6Confident86.8Confident2 Ų255.2 Ų55.21%0.0131%0.312CS..Hα-helixtrans-72-28.3176.3-74.1165.7000112F186 L326 W336 V351 Y359 L374 V375F186-L371 HydrophobicContact CE1-CB 4.03Å; F186-L371 HydrophobicContact CE1-CD1 3.83Å; L326-L371 HydrophobicContact CD2-CB 4.22Å; L326-L371 HydrophobicContact CD2-CD1 4.19Å; L326-L371 HydrophobicContact CD2-CD2 4.13Å; L326-L371 HydrophobicContact CD2-CG 4.4Å; W336-L371 HydrophobicContact CD2-CD1 4.09Å; W336-L371 HydrophobicContact CG-CD1 4.38Å; W336-L371 HydrophobicContact CZ2-CD1 4.24Å; V351-L371 HydrophobicContact CG1-CD2 3.66Å; Y359-L371 HydrophobicContact CD1-CD1 4.09Å; Y359-L371 HydrophobicContact CD1-CD2 3.42Å; Y359-L371 VanDerWaalsContact CD1-CD2 3.42Å; Y359-L371 HydrophobicContact CD1-CG 3.5Å; Y359-L371 HydrophobicContact CD2-CG 4.42Å; Y359-L371 HydrophobicContact CE1-CD1 3.67Å; Y359-L371 HydrophobicContact CE1-CD2 3.92Å; Y359-L371 HydrophobicContact CE1-CG 3.51Å; Y359-L371 HydrophobicContact CE2-CG 4.47Å; Y359-L371 HydrophobicContact CG-CD2 3.92Å; Y359-L371 HydrophobicContact CG-CG 3.96Å; L371-L374 HydrophobicContact CD2-CD1 4.47Å; L371-L374 PolarHBondContact O-N 3.23Å; L371-V375 WeakPolarHBondContact O-CG2 3.36Å; L371-V375 PolarHBondContact O-N 2.97Å
372E88.1Confident85.2Confident48 Ų4861.8 Ų61.822%0.22434%0.342CS..Hα-helixtrans-64-51171.8-56.278.7-178.700110.9F186 W302 S370 L374 V375 E376F186-E372 VanDerWaalsContact CB-OE1 3.31Å; F186-E372 WeakPolarHBondContact CB-OE1 3.47Å; F186-E372 VanDerWaalsContact CD1-OE1 3.23Å; F186-E372 WeakPolarHBondContact CD1-OE1 3.39Å; F186-E372 WeakPolarHBondContact CG-OE1 3.44Å; W302-E372 HydrophobicContact CH2-CB 4.29Å; W302-E372 HydrophobicContact CH2-CG 3.96Å; W302-E372 HydrophobicContact CZ3-CG 4.22Å; S370-E372 VanDerWaalsContact C-N 3.32Å; S370-E372 WeakPolarHBondContact CB-OE2 3.29Å; S370-E372 PolarHBondContact OG-N 3.12Å; S370-E372 PolarHBondContact OG-OE2 3.17Å; E372-L374 PolarHBondContact O-N 2.89Å; E372-V375 PolarHBondContact O-N 3.4Å; E372-E376 WeakPolarHBondContact O-CB 3.46Å; E372-E376 WeakPolarHBondContact O-CG 3.45Å; E372-E376 PolarHBondContact O-N 3.08Å
373A89.1Confident84.1Confident23 Ų2369 Ų6919%0.1937%0.366CS..Hα-helixtrans-61.7-32.517800000112.7F368 P369 S370 S377F368-A373 HydrophobicContact CB-CB 4.36Å; F368-A373 WeakPolarHBondContact CD1-O 3.44Å; P369-A373 HydrophobicContact CG-CB 3.82Å; S370-A373 PolarHBondContact OG-N 3.45Å; A373-S377 WeakPolarHBondContact O-CB 3.37Å; A373-S377 PolarHBondContact O-N 2.83Å; A373-S377 VanDerWaalsContact O-N 3.1Å
374L90.8Very high83.5Confident2 Ų263 Ų631%0.0134%0.344CS..Hα-helixtrans-64.4-49171.8-174159.1000110.9L338 V351 L361 F368 S370 L371 E372 H378L338-L374 HydrophobicContact CD2-CD2 4.4Å; V351-L374 HydrophobicContact CG1-CD1 3.73Å; V351-L374 HydrophobicContact CG2-CD1 4.4Å; L361-L374 HydrophobicContact CD1-CD2 3.91Å; L361-L374 HydrophobicContact CD1-CG 4.38Å; L361-L374 HydrophobicContact CG-CD1 4.33Å; L361-L374 HydrophobicContact CG-CD2 4.28Å; F368-L374 HydrophobicContact CB-CB 3.83Å; F368-L374 HydrophobicContact CD1-CB 4.4Å; F368-L374 HydrophobicContact CD2-CB 3.71Å; F368-L374 HydrophobicContact CD2-CD1 3.9Å; F368-L374 HydrophobicContact CD2-CG 3.64Å; F368-L374 HydrophobicContact CE2-CB 4.44Å; F368-L374 HydrophobicContact CE2-CG 4.07Å; F368-L374 VanDerWaalsContact CG-CA 3.5Å; F368-L374 HydrophobicContact CG-CB 3.69Å; F368-L374 HydrophobicContact CG-CG 4.17Å; S370-L374 PolarHBondContact O-N 3.23Å; L371-L374 HydrophobicContact CD2-CD1 4.47Å; L371-L374 PolarHBondContact O-N 3.23Å; E372-L374 PolarHBondContact O-N 2.89Å; L374-H378 WeakPolarHBondContact O-CB 3.17Å; L374-H378 PolarHBondContact O-N 2.95Å; L374-H378 VanDerWaalsContact O-N 3.17Å; L374-H378 PolarHBondContact O-ND1 3.38Å
375V88.9Confident83.1Confident1 Ų161.6 Ų61.61%0.00634%0.337CS..Hα-helixtrans-63.3-43.6177.8166.10000111.7W302 F324 L371 E372 H378 A379 L389 M391W302-V375 HydrophobicContact CH2-CB 4.18Å; W302-V375 HydrophobicContact CH2-CG1 4.26Å; W302-V375 HydrophobicContact CH2-CG2 4.16Å; W302-V375 HydrophobicContact CZ2-CB 4.45Å; W302-V375 HydrophobicContact CZ2-CG1 4.02Å; W302-V375 HydrophobicContact CZ3-CG2 4.24Å; F324-V375 HydrophobicContact CE1-CG1 4.06Å; F324-V375 HydrophobicContact CE2-CG1 4.11Å; F324-V375 HydrophobicContact CE2-CG2 4Å; F324-V375 HydrophobicContact CZ-CG1 3.49Å; F324-V375 VanDerWaalsContact CZ-CG1 3.49Å; F324-V375 HydrophobicContact CZ-CG2 4.24Å; L371-V375 WeakPolarHBondContact O-CG2 3.36Å; L371-V375 PolarHBondContact O-N 2.97Å; E372-V375 PolarHBondContact O-N 3.4Å; V375-H378 CarbonylContact O-C 3.59Å; V375-H378 PolarHBondContact O-N 3.17Å; V375-A379 WeakPolarHBondContact O-CB 3.32Å; V375-A379 PolarHBondContact O-N 2.89Å; V375-L389 HydrophobicContact CB-CD1 4.31Å; V375-L389 HydrophobicContact CG1-CD1 4.15Å; V375-L389 HydrophobicContact CG2-CD1 4.24Å; V375-M391 HydrophobicContact CG1-SD 4.32Å
376E87.5Confident82.8Confident118 Ų11863.8 Ų63.855%0.55133%0.334SS*.Hα-helixtrans-64.1-44-179.4-73.2176.216800112.4E372 H378 A379 G380E372-E376 WeakPolarHBondContact O-CB 3.46Å; E372-E376 WeakPolarHBondContact O-CG 3.45Å; E372-E376 PolarHBondContact O-N 3.08Å; E376-H378 VanDerWaalsContact C-N 3.34Å; E376-H378 PolarHBondContact O-N 2.84Å; E376-A379 PolarHBondContact O-N 3.06Å; E376-G380 PolarHBondContact O-N 3.47Å
377S87.8Confident82.5Confident32 Ų3262.9 Ų62.922%0.22432%0.324CS..Hα-helixtrans-59.4-45173.3166.30000111.6F368 A373 A379 G380F368-S377 WeakPolarHBondContact CE1-OG 3.48Å; A373-S377 WeakPolarHBondContact O-CB 3.37Å; A373-S377 PolarHBondContact O-N 2.83Å; A373-S377 VanDerWaalsContact O-N 3.1Å; S377-A379 VanDerWaalsContact C-N 3.32Å; S377-A379 PolarHBondContact O-N 3.25Å; S377-G380 PolarHBondContact O-N 3.35Å
378H88.9Confident82.4Confident4 Ų462.5 Ų62.52%0.01933%0.329CS..Hα-helixtrans-78.3-12.9-178-71.283.9000114.2F368 L374 V375 E376 G380 S384 L385 P388 L389F368-H378 AromaticContact CE2-CE1 3.64Å; F368-H378 AromaticContact CZ-CE1 3.55Å; L374-H378 WeakPolarHBondContact O-CB 3.17Å; L374-H378 PolarHBondContact O-N 2.95Å; L374-H378 VanDerWaalsContact O-N 3.17Å; L374-H378 PolarHBondContact O-ND1 3.38Å; V375-H378 CarbonylContact O-C 3.59Å; V375-H378 PolarHBondContact O-N 3.17Å; E376-H378 VanDerWaalsContact C-N 3.34Å; E376-H378 PolarHBondContact O-N 2.84Å; H378-G380 VanDerWaalsContact C-N 3.32Å; H378-S384 PolarHBondContact CD2-OG 2.94Å; H378-S384 PolarHBondContact NE2-OG 2.94Å; H378-L385 HydrophobicContact CB-CD1 4.04Å; H378-P388 CarbonylContact O-C 3.58Å; H378-P388 WeakPolarHBondContact O-CA 3.49Å; H378-L389 HydrophobicContact CB-CD1 3.65Å; H378-L389 HydrophobicContact CB-CG 3.81Å; H378-L389 PolarHBondContact O-N 3.31Å
379A87Confident82.4Confident32 Ų3261.8 Ų61.826%0.26433%0.326SS..Hα-helixtrans-81.5-12.616600000112.8V375 E376 S377 L389 M391V375-A379 WeakPolarHBondContact O-CB 3.32Å; V375-A379 PolarHBondContact O-N 2.89Å; E376-A379 PolarHBondContact O-N 3.06Å; S377-A379 VanDerWaalsContact C-N 3.32Å; S377-A379 PolarHBondContact O-N 3.25Å; A379-L389 VanDerWaalsContact CA-O 3.31Å; A379-L389 WeakPolarHBondContact CA-O 3.33Å; A379-L389 HydrophobicContact CB-CB 4.15Å; A379-L389 VanDerWaalsContact CB-O 3.31Å; A379-L389 WeakPolarHBondContact CB-O 3.39Å; A379-M391 HydrophobicContact CB-CG 4.04Å; A379-M391 HydrophobicContact CB-SD 4.22Å
380G77.3Confident82.2Confident32 Ų3257.4 Ų57.433%0.3330%0.298SS..SBendtrans-72.3-176.9172.800000113.6E376 S377 H378 E382 P388E376-G380 PolarHBondContact O-N 3.47Å; S377-G380 PolarHBondContact O-N 3.35Å; H378-G380 VanDerWaalsContact C-N 3.32Å; G380-E382 VanDerWaalsContact C-N 3.25Å; G380-E382 PolarHBondContact O-N 3.24Å; G380-P388 WeakPolarHBondContact O-CB 3.29Å
381M62.2Low81.9Confident170 Ų17057.7 Ų57.784%0.83730%0.297SS*.SBendtrans-80.9-1.4-179.1-159.5172.4-69.900113.7R383M381-R383 PolarHBondContact O-N 3.17Å
382E58.4Low82.2Confident138 Ų13857.6 Ų57.665%0.64530%0.296SS*.  trans-71.5112.1178.4-65.9-166.7130.500110.9G380 S384G380-E382 VanDerWaalsContact C-N 3.25Å; G380-E382 PolarHBondContact O-N 3.24Å; E382-S384 PolarHBondContact O-N 2.82Å
383R63.1Low82.5Confident233 Ų23356 Ų5688%0.87929%0.288SS*.THydrogen-bonded Turntrans-81.950.5-172.3-58.6-175.9-178.4-177.9-0.6113.3M381M381-R383 PolarHBondContact O-N 3.17Å
384S69.7Low82.8Confident51 Ų5156.4 Ų56.436%0.35729%0.287SS..THydrogen-bonded Turntrans-73.5-28.4172.253.70000112.5H378 E382H378-S384 PolarHBondContact CD2-OG 2.94Å; H378-S384 PolarHBondContact NE2-OG 2.94Å; E382-S384 PolarHBondContact O-N 2.82Å
385L77.5Confident83Confident14 Ų1456.6 Ų56.67%0.07329%0.288CS..SBendtrans-104.6158.5171.4-64.7173.5000111.1L338 L361 L364 H378 C387 L389L338-L385 HydrophobicContact CD2-CD1 4.48Å; L361-L385 HydrophobicContact CD1-CD2 4.48Å; L364-L385 HydrophobicContact CD1-CD2 4.33Å; H378-L385 HydrophobicContact CB-CD1 4.04Å; L385-C387 PolarHBondContact O-N 3.4Å; L385-L389 HydrophobicContact CD1-CD2 4.04Å; L385-L389 HydrophobicContact CD1-CG 4.37Å
386F79.2Confident83.3Confident175 Ų17559 Ų5977%0.76830%0.304SS*.SBendtrans-57.2-21175.4-64.8-75.4000114.2T342 V347T342-F386 HydrophobicContact CG2-CB 4.26Å; V347-F386 HydrophobicContact CG1-CD2 4.44Å; V347-F386 HydrophobicContact CG1-CE2 4.49Å
387C83.8Confident83.6Confident22 Ų2253.7 Ų53.715%0.14928%0.28CS..SBendtrans-152.1135.1178-168.10000107.5T342 L385T342-C387 HydrophobicContact CG2-CB 4.12Å; L385-C387 PolarHBondContact O-N 3.4Å
388P89.3Confident83.8Confident72 Ų7254.5 Ų54.547%0.46828%0.278SS..PPolyproline II helixtrans-64.3150.4173.729.3-35.7000110.4G322 H378 G380 S390G322-P388 WeakPolarHBondContact CA-O 3.5Å; H378-P388 CarbonylContact O-C 3.58Å; H378-P388 WeakPolarHBondContact O-CA 3.49Å; G380-P388 WeakPolarHBondContact O-CB 3.29Å; P388-S390 PolarHBondContact O-N 3.39Å
389L91.3Very high83.9Confident6 Ų656.9 Ų56.93%0.03129%0.289CS..PPolyproline II helixtrans-69.5127.6179.1-58-175.9000110.5G322 F324 L338 V340 V375 H378 A379 L385G322-L389 CarbonylContact O-C 3.55Å; G322-L389 WeakPolarHBondContact O-CA 3.16Å; F324-L389 HydrophobicContact CB-CD2 4.08Å; F324-L389 HydrophobicContact CD1-CB 3.94Å; F324-L389 HydrophobicContact CD1-CD1 4.32Å; F324-L389 HydrophobicContact CD1-CD2 4.21Å; F324-L389 HydrophobicContact CD1-CG 4.38Å; F324-L389 HydrophobicContact CE1-CB 4.18Å; F324-L389 HydrophobicContact CG-CD1 4.48Å; F324-L389 HydrophobicContact CG-CD2 4.26Å; L338-L389 HydrophobicContact CD2-CD1 4.35Å; V340-L389 HydrophobicContact CB-CD2 4.35Å; V340-L389 HydrophobicContact CG1-CD2 3.79Å; V340-L389 HydrophobicContact CG2-CD2 3.55Å; V375-L389 HydrophobicContact CB-CD1 4.31Å; V375-L389 HydrophobicContact CG1-CD1 4.15Å; V375-L389 HydrophobicContact CG2-CD1 4.24Å; H378-L389 HydrophobicContact CB-CD1 3.65Å; H378-L389 HydrophobicContact CB-CG 3.81Å; H378-L389 PolarHBondContact O-N 3.31Å; A379-L389 VanDerWaalsContact CA-O 3.31Å; A379-L389 WeakPolarHBondContact CA-O 3.33Å; A379-L389 HydrophobicContact CB-CB 4.15Å; A379-L389 VanDerWaalsContact CB-O 3.31Å; A379-L389 WeakPolarHBondContact CB-O 3.39Å; L385-L389 HydrophobicContact CD1-CD2 4.04Å; L385-L389 HydrophobicContact CD1-CG 4.37Å
390S88.5Confident83.8Confident8 Ų861.3 Ų61.36%0.05630%0.304CS..PPolyproline II helixtrans-87.9128.6179.5-176.60000110.6H321 G322 P388 G392H321-S390 WeakPolarHBondContact O-CB 3.44Å; G322-S390 PolarHBondContact O-N 2.82Å; P388-S390 PolarHBondContact O-N 3.39Å; S390-G392 PolarHBondContact O-N 2.79Å; S390-G392 PolarHBondContact OG-N 2.9Å
391M84.6Confident84Confident29 Ų2966.4 Ų66.414%0.14332%0.32CS..SBendtrans-88.630.2174.8-58.3-58.2-93.200111.8W97 Y135 F324 V375 A379W97-M391 VanDerWaalsContact CD1-O 3.25Å; W97-M391 HydrophobicContact CZ2-CE 3.8Å; W97-M391 PolarHBondContact N-O 2.84Å; Y135-M391 VanDerWaalsContact CE2-O 3.32Å; Y135-M391 WeakPolarHBondContact CE2-O 3.27Å; Y135-M391 PolarHBondContact OH-O 2.86Å; F324-M391 HydrophobicContact CE1-SD 4.27Å; V375-M391 HydrophobicContact CG1-SD 4.32Å; A379-M391 HydrophobicContact CB-CG 4.04Å; A379-M391 HydrophobicContact CB-SD 4.22Å
392G93Very high84.6Confident0 Ų060.7 Ų60.70%029%0.292CS..EExtended strand (participates in β ladder)trans-137.3155.9171.700000112.7A95 V320 S390A95-G392 CarbonylContact O-C 3.53Å; A95-G392 WeakPolarHBondContact O-CA 3.33Å; V320-G392 WeakPolarHBondContact CG2-O 3.46Å; S390-G392 PolarHBondContact O-N 2.79Å; S390-G392 PolarHBondContact OG-N 2.9Å
393R95Very high84.8Confident13 Ų1358.3 Ų58.35%0.04929%0.291CS..EExtended strand (participates in β ladder)trans-138.8138-173.3-55.8-61.2-58.4-100.83.2111.1Y94 A95 Y135 D319 F324Y94-R393 VanDerWaalsContact CD2-O 3.27Å; Y94-R393 WeakPolarHBondContact CD2-O 2.99Å; A95-R393 PolarHBondContact N-O 2.77Å; A95-R393 PolarHBondContact O-N 2.56Å; Y135-R393 WeakPolarHBondContact OH-CG 3.45Å; D319-R393 IonicContact OD2-CZ 3.31Å; D319-R393 IonicContact OD2-NE 3.66Å; D319-R393 PolarHBondContact OD2-NE 2.78Å; D319-R393 IonicContact OD2-NH2 2.94Å; D319-R393 PolarHBondContact OD2-NH2 3.28Å; F324-R393 PolarHBondContact O-NH1 2.93Å
394L95.5Very high84.4Confident32 Ų3250 Ų5017%0.16828%0.277CS..EExtended strand (participates in β ladder)trans-70.8153.8165.7-64.2-179.5000111.5T41 L93 Y94 R318 D319 V320 P396T41-L394 HydrophobicContact CG2-CD1 4.02Å; T41-L394 HydrophobicContact CG2-CD2 4.03Å; T41-L394 HydrophobicContact CG2-CG 4.5Å; L93-L394 HydrophobicContact CD1-CD2 4.28Å; L93-L394 HydrophobicContact CG-CD2 4.43Å; L93-L394 CarbonylContact O-C 3.53Å; L93-L394 WeakPolarHBondContact O-CA 3.34Å; Y94-L394 HydrophobicContact CD2-CD2 3.97Å; Y94-L394 HydrophobicContact CG-CD2 4.47Å; R318-L394 VanDerWaalsContact O-CD1 3.22Å; R318-L394 WeakPolarHBondContact O-CD1 3.49Å; D319-L394 PolarHBondContact OD1-N 2.94Å; V320-L394 HydrophobicContact CG1-CD2 4.04Å; V320-L394 HydrophobicContact CG1-CG 3.92Å; L394-P396 WeakPolarHBondContact O-CD 3.05Å
395N95.6Very high83.2Confident6 Ų653.4 Ų53.43%0.03230%0.299CS..  trans-89.6111.1166.6177.816.1000110L89 I92 L93 F142 T397 Y398L89-N395 PolarHBondContact O-ND2 3.17Å; I92-N395 WeakPolarHBondContact O-CB 3.07Å; I92-N395 PolarHBondContact O-ND2 3.38Å; L93-N395 PolarHBondContact O-N 2.89Å; F142-N395 HydrophobicContact CB-CB 4.41Å; F142-N395 HydrophobicContact CD1-CB 3.74Å; F142-N395 VanDerWaalsContact CD1-CG 3.41Å; F142-N395 HydrophobicContact CD2-CB 3.76Å; F142-N395 HydrophobicContact CE1-CB 3.8Å; F142-N395 HydrophobicContact CE2-CB 3.82Å; F142-N395 HydrophobicContact CG-CB 3.73Å; F142-N395 HydrophobicContact CZ-CB 3.85Å; N395-T397 VanDerWaalsContact CG-OG1 3.29Å; N395-T397 PolarHBondContact ND2-OG1 3.34Å; N395-T397 VanDerWaalsContact ND2-OG1 3.12Å; N395-T397 PolarHBondContact O-N 2.92Å; N395-T397 VanDerWaalsContact O-N 3.08Å; N395-T397 WeakPolarHBondContact OD1-CB 3.5Å; N395-T397 PolarHBondContact OD1-N 3.48Å; N395-T397 PolarHBondContact OD1-OG1 2.96Å; N395-Y398 WeakPolarHBondContact O-CB 3.47Å; N395-Y398 PolarHBondContact O-N 3.22Å
396P94.2Very high81.5Confident52 Ų5262.1 Ų62.134%0.33834%0.339SS..THydrogen-bonded Turntrans-69.8-3.9177.431.8-37.9000113.7Y146 L315 L394Y146-P396 HydrophobicContact CD2-CB 3.74Å; Y146-P396 HydrophobicContact CD2-CG 3.74Å; Y146-P396 HydrophobicContact CE2-CB 4.05Å; Y146-P396 HydrophobicContact CE2-CG 4.48Å; Y146-P396 HydrophobicContact CG-CB 4.49Å; Y146-P396 HydrophobicContact CG-CG 4.05Å; L315-P396 HydrophobicContact CD1-CB 4.39Å; L315-P396 HydrophobicContact CD1-CG 4.3Å; L315-P396 HydrophobicContact CD2-CB 3.83Å; L394-P396 WeakPolarHBondContact O-CD 3.05Å
397T93.3Very high79.2Confident7 Ų757.3 Ų57.34%0.04334%0.339CS..THydrogen-bonded Turntrans-103.714.2175.273.20000113.4K90 A145 Y146 N395K90-T397 WeakPolarHBondContact CA-O 3.44Å; A145-T397 HydrophobicContact CB-CG2 3.93Å; Y146-T397 HydrophobicContact CD2-CG2 4.13Å; Y146-T397 HydrophobicContact CG-CG2 4.47Å; N395-T397 VanDerWaalsContact CG-OG1 3.29Å; N395-T397 PolarHBondContact ND2-OG1 3.34Å; N395-T397 VanDerWaalsContact ND2-OG1 3.12Å; N395-T397 PolarHBondContact O-N 2.92Å; N395-T397 VanDerWaalsContact O-N 3.08Å; N395-T397 WeakPolarHBondContact OD1-CB 3.5Å; N395-T397 PolarHBondContact OD1-N 3.48Å; N395-T397 PolarHBondContact OD1-OG1 2.96Å
398Y93.3Very high76.7Confident48 Ų4867.4 Ų67.419%0.18837%0.374CS..  trans-66.7133.4177.1178.1-107.1000111.8K90 L93 R109 N395 E400K90-Y398 WeakPolarHBondContact O-CD2 3.33Å; L93-Y398 HydrophobicContact CB-CD2 3.83Å; L93-Y398 HydrophobicContact CB-CE2 3.85Å; L93-Y398 HydrophobicContact CB-CG 4.18Å; L93-Y398 HydrophobicContact CD1-CD1 3.65Å; L93-Y398 HydrophobicContact CD1-CD2 4.36Å; L93-Y398 HydrophobicContact CD1-CE1 3.99Å; L93-Y398 HydrophobicContact CD1-CG 3.84Å; R109-Y398 WeakPolarHBondContact CD-OH 3.21Å; R109-Y398 HydrophobicContact CG-CE2 4.22Å; N395-Y398 WeakPolarHBondContact O-CB 3.47Å; N395-Y398 PolarHBondContact O-N 3.22Å; Y398-E400 HydrophobicContact CD1-CG 4.49Å; Y398-E400 HydrophobicContact CE1-CB 4.42Å; Y398-E400 HydrophobicContact CE1-CG 3.85Å
399E90.6Very high74Confident54 Ų5473.6 Ų73.625%0.25239%0.394SS..  trans-114.5118171.9-71.5176.7-131.600108.8K90 R109 Q401 S403K90-E399 HydrophobicContact CB-CB 4.38Å; K90-E399 HydrophobicContact CB-CG 4.22Å; K90-E399 VanDerWaalsContact CD-OE1 3.24Å; K90-E399 WeakPolarHBondContact CD-OE1 3.47Å; K90-E399 WeakPolarHBondContact CE-OE1 3.25Å; K90-E399 WeakPolarHBondContact CE-OE2 3.26Å; K90-E399 IonicContact NZ-OE1 3.7Å; K90-E399 PolarHBondContact NZ-OE1 3.46Å; K90-E399 IonicContact NZ-OE2 2.78Å; K90-E399 PolarHBondContact NZ-OE2 3Å; K90-E399 PolarHBondContact O-N 3.03Å; R109-E399 PolarHBondContact NE-O 2.75Å; R109-E399 PolarHBondContact NH2-O 3.23Å; E399-Q401 PolarHBondContact O-N 2.97Å; E399-Q401 VanDerWaalsContact O-N 3.14Å; E399-S403 PolarHBondContact OE2-OG 3.27Å
400E85.2Confident71.3Confident126 Ų12679.1 Ų79.159%0.58943%0.43SS*.SBendtrans-55.5-29.5177.6-72.5169.5-158.200114.2R109 A115 Y398R109-E400 WeakPolarHBondContact CD-O 3.32Å; R109-E400 VanDerWaalsContact NE-C 3.33Å; R109-E400 PolarHBondContact NE-O 3.31Å; A115-E400 WeakPolarHBondContact CA-O 3.31Å; A115-E400 HydrophobicContact CB-CB 3.91Å; A115-E400 WeakPolarHBondContact CB-O 3.32Å; Y398-E400 HydrophobicContact CD1-CG 4.49Å; Y398-E400 HydrophobicContact CE1-CB 4.42Å; Y398-E400 HydrophobicContact CE1-CG 3.85Å
401Q80.5Confident68.8Low139 Ų13989.6 Ų89.665%0.6547%0.468SS*.SBendtrans-129.5153.2-176.3-60.3-172.542.200111.6R109 E399 S403R109-Q401 PolarHBondContact NH2-O 3.37Å; E399-Q401 PolarHBondContact O-N 2.97Å; E399-Q401 VanDerWaalsContact O-N 3.14Å; Q401-S403 PolarHBondContact O-N 3.19Å
402D75.1Confident66.3Low49 Ų4994.6 Ų94.626%0.26250%0.5SS..  trans-77.5102.2171.8-78-18.5000109.7R91 R109 R112 G404R91-D402 IonicContact CZ-OD1 3.46Å; R91-D402 IonicContact CZ-OD2 3.38Å; R91-D402 IonicContact NE-OD1 2.79Å; R91-D402 PolarHBondContact NE-OD1 3.45Å; R91-D402 IonicContact NE-OD2 3.26Å; R91-D402 PolarHBondContact NE-OD2 3.25Å; R91-D402 VanDerWaalsContact NH2-CG 3.28Å; R91-D402 IonicContact NH2-OD1 3.27Å; R91-D402 PolarHBondContact NH2-OD1 2.71Å; R91-D402 IonicContact NH2-OD2 2.73Å; R91-D402 PolarHBondContact NH2-OD2 3.02Å; R109-D402 IonicContact CZ-OD1 3.76Å; R109-D402 VanDerWaalsContact CZ-OD1 3.31Å; R109-D402 VanDerWaalsContact NH1-CG 3.28Å; R109-D402 IonicContact NH1-OD1 2.82Å; R109-D402 PolarHBondContact NH1-OD1 3.09Å; R109-D402 IonicContact NH1-OD2 3.97Å; R109-D402 IonicContact NH2-OD1 2.74Å; R109-D402 PolarHBondContact NH2-OD1 2.99Å; R112-D402 PolarHBondContact N-OD2 3.4Å; D402-G404 PolarHBondContact O-N 3.21Å
403S62.2Low63.6Low88 Ų88102.7 Ų102.762%0.61554%0.543SS*.  trans-55.4102.7169.232.30000111K90 E399 Q401K90-S403 PolarHBondContact NZ-OG 3.27Å; E399-S403 PolarHBondContact OE2-OG 3.27Å; Q401-S403 PolarHBondContact O-N 3.19Å
404G55Low60.7Low58 Ų58113.4 Ų113.460%0.59858%0.583SS**  trans-154.9148.4-179.600000111.3D402 E406D402-G404 PolarHBondContact O-N 3.21Å; G404-E406 PolarHBondContact O-N 2.99Å
405P45.1Very low57.7Low123 Ų123117.7 Ų117.780%0.79961%0.613SS**  trans-72.3128-177.129-34.1000111.1G407P405-G407 PolarHBondContact O-N 2.77Å
406E40.1Very low55Low197 Ų197125.2 Ų125.292%0.92165%0.652SS**SBendtrans-58.3134.1159.1-64.1-165.4130.800109.2G404G404-E406 PolarHBondContact O-N 2.99Å
407G31.5Very low52Low74 Ų74128 Ų12876%0.76367%0.673SS**SBendtrans77.555.5165.200000117.9P405P405-G407 PolarHBondContact O-N 2.77Å
408R32Very low49.3Very low235 Ų235136 Ų13689%0.88771%0.709SS**  trans-163.4113.3138.1-110.2162.8-167.8-169.34.1113.1P410R408-P410 WeakPolarHBondContact O-CD 3.1Å
409F33.3Very low46.7Very low202 Ų202138.2 Ų138.289%0.88674%0.738SS**PPolyproline II helixtrans-72.5121.4168.9-70.6-90.3000110.8R411F409-R411 PolarHBondContact O-N 3.21Å
410P34.2Very low44.3Very low121 Ų121142.5 Ų142.579%0.78676%0.755SS**PPolyproline II helixtrans-68.4116.2153.8-6.925.1000107R408R408-P410 WeakPolarHBondContact O-CD 3.1Å
411R34.9Very low42.1Very low228 Ų228140 Ų14086%0.8675%0.752SS**PPolyproline II helixtrans-64160.2164.5-73.1177.1170.7158.6-3.5108.9F409F409-R411 PolarHBondContact O-N 3.21Å
412T33.6Very low40.4Very low134 Ų134137 Ų13782%0.82274%0.738SS**  trans6271.1176.262.30000117.6
413L35.8Very low38.9Very low171 Ų171137.8 Ų137.890%0.89575%0.751SS**  -126.6118.7122.6-75.9179.7000108.1
414R32.6Very low38.1Very low238 Ų238138.2 Ų138.290%0.89874%0.743SS**  trans-70.2137.4168.6-79.9-178.9172.2163.7-3.3108.1L416R414-L416 PolarHBondContact O-N 3.36Å
415P33.9Very low37.8Very low121 Ų121137.9 Ų137.979%0.78673%0.728SS**  trans-57.9130.8166-20.632.4000109.7S417P415-S417 PolarHBondContact O-N 3.03Å
416L37.8Very low38Very low165 Ų165137.3 Ų137.386%0.86471%0.714SS**  trans-67.8115.3163-87.2164.9000107.3R414 H418R414-L416 PolarHBondContact O-N 3.36Å; L416-H418 PolarHBondContact O-N 3.28Å
417S31.9Very low37.9Very low109 Ų109131 Ų13176%0.76270%0.702SS**THydrogen-bonded Turntrans-77.157.7-168.356.40000113.1P415P415-S417 PolarHBondContact O-N 3.03Å
418H36.5Very low38.2Very low175 Ų175131.2 Ų131.281%0.8169%0.685SS**THydrogen-bonded Turntrans-149.55.4170-97.6-61.1000115L416 K420L416-H418 PolarHBondContact O-N 3.28Å; H418-K420 PolarHBondContact O-N 3.02Å
419A39Very low38.3Very low95 Ų95126.2 Ų126.279%0.78571%0.706SS**  trans-69.696.6167.600000109.8S421A419-S421 PolarHBondContact O-N 2.77Å
420K39.1Very low38.5Very low144 Ų144122.4 Ų122.463%0.62670%0.697SS**  trans-57.4131.6168.4-74.3-176.1155.9-85.10109H418 E424H418-K420 PolarHBondContact O-N 3.02Å; K420-E424 VanDerWaalsContact CB-OE2 3.31Å; K420-E424 WeakPolarHBondContact CB-OE2 3.31Å; K420-E424 VanDerWaalsContact CD-OE2 3.26Å; K420-E424 WeakPolarHBondContact CD-OE2 3.45Å; K420-E424 WeakPolarHBondContact CE-OE2 3.48Å; K420-E424 WeakPolarHBondContact CG-OE2 3.26Å; K420-E424 IonicContact NZ-OE1 2.72Å; K420-E424 PolarHBondContact NZ-OE1 2.92Å; K420-E424 IonicContact NZ-OE2 2.68Å; K420-E424 PolarHBondContact NZ-OE2 2.94Å
421S40.2Very low38.8Very low73 Ų73122.5 Ų122.551%0.5169%0.693SS.*  trans-70.6152.6-178.351.10000111.2A419 A423 E424A419-S421 PolarHBondContact O-N 2.77Å; S421-A423 PolarHBondContact O-N 2.96Å; S421-E424 PolarHBondContact O-N 3.06Å
422E45.2Very low39Very low78 Ų78116.6 Ų116.636%0.36468%0.683SS.*Hα-helixtrans-56.8-24.1175.5-67.917293.300112.6N110 E424 L425 Q426N110-E422 PolarHBondContact ND2-OE1 3.45Å; N110-E422 PolarHBondContact ND2-OE2 2.82Å; E422-E424 VanDerWaalsContact C-N 3.29Å; E422-E424 PolarHBondContact O-N 3.49Å; E422-L425 CarbonylContact O-C 3.48Å; E422-L425 WeakPolarHBondContact O-CA 3.38Å; E422-L425 WeakPolarHBondContact O-CB 3.4Å; E422-L425 PolarHBondContact O-N 3Å; E422-Q426 WeakPolarHBondContact O-CG 3.26Å; E422-Q426 PolarHBondContact O-N 2.68Å
423A43.9Very low39.3Very low64 Ų64115.6 Ų115.653%0.52968%0.675SS.*Hα-helixtrans-58-34.1172.400000113.6S421 L425 Q426 G427S421-A423 PolarHBondContact O-N 2.96Å; A423-L425 VanDerWaalsContact C-N 3.28Å; A423-L425 PolarHBondContact O-N 3.33Å; A423-Q426 PolarHBondContact O-N 2.72Å; A423-G427 PolarHBondContact O-N 3.06Å
424E44.1Very low39.5Very low97 Ų97112.1 Ų112.145%0.45366%0.661SS.*Hα-helixtrans-75.2-16.3172.6-78.6-167.5117.900113.3K420 S421 E422K420-E424 VanDerWaalsContact CB-OE2 3.31Å; K420-E424 WeakPolarHBondContact CB-OE2 3.31Å; K420-E424 VanDerWaalsContact CD-OE2 3.26Å; K420-E424 WeakPolarHBondContact CD-OE2 3.45Å; K420-E424 WeakPolarHBondContact CE-OE2 3.48Å; K420-E424 WeakPolarHBondContact CG-OE2 3.26Å; K420-E424 IonicContact NZ-OE1 2.72Å; K420-E424 PolarHBondContact NZ-OE1 2.92Å; K420-E424 IonicContact NZ-OE2 2.68Å; K420-E424 PolarHBondContact NZ-OE2 2.94Å; S421-E424 PolarHBondContact O-N 3.06Å; E422-E424 VanDerWaalsContact C-N 3.29Å; E422-E424 PolarHBondContact O-N 3.49Å
425L49.8Very low40Very low52 Ų52103.7 Ų103.727%0.27265%0.646SS.*Hα-helixtrans-92.2-24.5172.4-65.4172000112E422 A423E422-L425 CarbonylContact O-C 3.48Å; E422-L425 WeakPolarHBondContact O-CA 3.38Å; E422-L425 WeakPolarHBondContact O-CB 3.4Å; E422-L425 PolarHBondContact O-N 3Å; A423-L425 VanDerWaalsContact C-N 3.28Å; A423-L425 PolarHBondContact O-N 3.33Å
426Q49Very low40.4Very low110 Ų110102.5 Ų102.551%0.51464%0.636SS.*Hα-helixtrans-84.9-22.8175.2-71.6170.8-12.700113E422 A423 L428E422-Q426 WeakPolarHBondContact O-CG 3.26Å; E422-Q426 PolarHBondContact O-N 2.68Å; A423-Q426 PolarHBondContact O-N 2.72Å; Q426-L428 PolarHBondContact O-N 2.97Å
427G37.8Very low40.6Very low64 Ų6497.7 Ų97.766%0.6662%0.618SS**SBendtrans-69.916.7172.900000115A423A423-G427 PolarHBondContact O-N 3.06Å
428L37.8Very low41.3Very low80 Ų8096.8 Ų96.842%0.41961%0.606SS.*  trans-133.862.8-167.5-60.8-172.5000110.6Q426Q426-L428 PolarHBondContact O-N 2.97Å
429G33.8Very low41.8Very low129 Ų12989.6 Ų89.6100%1.3359%0.588SS**  trans-61.7016800000113.8R60R60-G429 PolarHBondContact NH1-O 3.36Å

Retrieved 429 of 429 residues in 123.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).