A0A060WW22_ONCMY Loading...

Ankyrin repeat domain 29

AlphaFold DB , UniProt , Accession A0A060WW22, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110524391, Length 298 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
1M36.3Very low65Low235 Ų235118.5 Ų118.5100%1.15861%0.606SS**  01230-80.6166.7178.600107.8F3M1-F3 PolarHBondContact O-N 3.22Å
2S36.1Very low67.4Low116 Ų116111.2 Ų111.281%0.81158%0.576SS**  trans-69.9115.6179.1175.40000108.6K4S2-K4 PolarHBondContact O-N 2.9Å
3F44.5Very low69.6Low181 Ų181102.6 Ų102.679%0.79453%0.531SS*.  trans-61.4105.2164.6-69.9-85.9000106.7M1 K5M1-F3 PolarHBondContact O-N 3.22Å; F3-K5 PolarHBondContact O-N 3.35Å
4K54.5Low71.4Confident180 Ų18097 Ų9778%0.78350%0.501SS*.  trans-58.7114.9169.3-81.2-178178.3174.70106S2 E6S2-K4 PolarHBondContact O-N 2.9Å; K4-E6 PolarHBondContact O-N 3.37Å
5K52.5Low73.1Confident190 Ų19099.6 Ų99.683%0.82650%0.502SS*.PPolyproline II helixtrans-49.2136.5174.5-74.9-179.4175-179.60109.1F3 T7F3-K5 PolarHBondContact O-N 3.35Å; K5-T7 PolarHBondContact O-N 3.34Å
6E61Low74.6Confident81 Ų8193.4 Ų93.438%0.37947%0.471SS..PPolyproline II helixtrans-47.3116.7168.7-75.8174-166.100109K4 D40 S41K4-E6 PolarHBondContact O-N 3.37Å; E6-D40 WeakPolarHBondContact OE1-CB 3.44Å; E6-S41 WeakPolarHBondContact OE1-CB 3.39Å; E6-S41 PolarHBondContact OE1-N 3.29Å; E6-S41 PolarHBondContact OE1-OG 3.21Å
7T76.4Confident75.9Confident65 Ų6587.9 Ų87.940%0.39944%0.443SS..PPolyproline II helixtrans-91.3150.4176.664.60000108.9K5 L9 A10 N11K5-T7 PolarHBondContact O-N 3.34Å; T7-L9 PolarHBondContact O-N 3.06Å; T7-A10 PolarHBondContact O-N 3.31Å; T7-A10 PolarHBondContact OG1-N 3.42Å; T7-A10 VanDerWaalsContact OG1-N 3.16Å; T7-N11 PolarHBondContact O-N 3.02Å
8P85.3Confident77.1Confident114 Ų11492.3 Ų92.374%0.7445%0.454SS*.Hα-helixtrans-51.7-31.6173.6-28.335.2000113.3A12P8-A12 PolarHBondContact O-N 3.36Å
9L88.2Confident78.2Confident66 Ų6694.2 Ų94.235%0.34646%0.459SS..Hα-helixtrans-71.6-42.4176.5-68169.7000112.7T7 N11 A12 V13 L28 R33 V34T7-L9 PolarHBondContact O-N 3.06Å; L9-N11 VanDerWaalsContact C-N 3.29Å; L9-N11 PolarHBondContact O-N 3.09Å; L9-A12 WeakPolarHBondContact O-CB 3.37Å; L9-A12 PolarHBondContact O-N 2.77Å; L9-A12 VanDerWaalsContact O-N 3.17Å; L9-V13 PolarHBondContact O-N 3.32Å; L9-L28 HydrophobicContact CD2-CD2 4.09Å; L9-R33 HydrophobicContact CD1-CB 4Å; L9-V34 HydrophobicContact CB-CG2 3.39Å; L9-V34 HydrophobicContact CD1-CG2 4.35Å; L9-V34 HydrophobicContact CG-CG2 4.43Å
10A88.3Confident79.2Confident7 Ų790.9 Ų90.96%0.05845%0.45CS..Hα-helixtrans-61.2-40.5173.200000111.3T7 A12 V13 F14 V34 C38T7-A10 PolarHBondContact O-N 3.31Å; T7-A10 PolarHBondContact OG1-N 3.42Å; T7-A10 VanDerWaalsContact OG1-N 3.16Å; A10-A12 VanDerWaalsContact C-N 3.3Å; A10-A12 PolarHBondContact O-N 3.29Å; A10-V13 WeakPolarHBondContact O-CB 3.24Å; A10-V13 PolarHBondContact O-N 3.15Å; A10-V13 VanDerWaalsContact O-N 3.09Å; A10-F14 HydrophobicContact CB-CE2 4.26Å; A10-F14 WeakPolarHBondContact O-CD2 3.48Å; A10-F14 PolarHBondContact O-N 2.88Å; A10-V34 HydrophobicContact CB-CG1 4.48Å; A10-C38 HydrophobicContact CB-CB 4.19Å
11N91.4Very high80.1Confident69 Ų6989.4 Ų89.437%0.36944%0.444SS..Hα-helixtrans-62.6-36.7175.1-69.7-3.4000112.4T7 L9 F14 W15T7-N11 PolarHBondContact O-N 3.02Å; L9-N11 VanDerWaalsContact C-N 3.29Å; L9-N11 PolarHBondContact O-N 3.09Å; N11-F14 PolarHBondContact O-N 3.25Å; N11-W15 WeakPolarHBondContact O-CB 3.43Å; N11-W15 PolarHBondContact O-N 3.2Å
12A94.3Very high83Confident30 Ų3080.5 Ų80.525%0.24840%0.401CS..Hα-helixtrans-66.1-37173.200000112.3P8 L9 A10 W15 A16 L28P8-A12 PolarHBondContact O-N 3.36Å; L9-A12 WeakPolarHBondContact O-CB 3.37Å; L9-A12 PolarHBondContact O-N 2.77Å; L9-A12 VanDerWaalsContact O-N 3.17Å; A10-A12 VanDerWaalsContact C-N 3.3Å; A10-A12 PolarHBondContact O-N 3.29Å; A12-W15 PolarHBondContact O-N 3.31Å; A12-A16 WeakPolarHBondContact O-CB 3.25Å; A12-A16 PolarHBondContact O-N 3.18Å; A12-L28 HydrophobicContact CB-CD1 3.73Å; A12-L28 HydrophobicContact CB-CD2 4.4Å
13V95.4Very high85.9Confident0 Ų078.2 Ų78.20%039%0.389CS..Hα-helixtrans-62.4-48.4173.6172.20000110.5L9 A10 W15 A16 A17 L25 L28 V34 A46L9-V13 PolarHBondContact O-N 3.32Å; A10-V13 WeakPolarHBondContact O-CB 3.24Å; A10-V13 PolarHBondContact O-N 3.15Å; A10-V13 VanDerWaalsContact O-N 3.09Å; V13-W15 VanDerWaalsContact C-N 3.3Å; V13-W15 PolarHBondContact O-N 2.94Å; V13-A16 PolarHBondContact O-N 2.95Å; V13-A17 WeakPolarHBondContact O-CB 3.24Å; V13-A17 PolarHBondContact O-N 3.47Å; V13-L25 HydrophobicContact CG1-CD1 3.76Å; V13-L28 HydrophobicContact CG2-CB 3.79Å; V13-L28 HydrophobicContact CG2-CD1 3.83Å; V13-L28 HydrophobicContact CG2-CG 4.4Å; V13-V34 HydrophobicContact CG2-CB 4.3Å; V13-V34 HydrophobicContact CG2-CG1 3.88Å; V13-V34 HydrophobicContact CG2-CG2 4.45Å; V13-A46 HydrophobicContact CG1-CB 3.62Å
14F95.8Very high88.4Confident24 Ų2472 Ų7211%0.10536%0.364CS..Hα-helixtrans-60.3-40.4176.5-61-52.3000112.2A10 N11 R18 C38 D40 T44 A46 V49A10-F14 HydrophobicContact CB-CE2 4.26Å; A10-F14 WeakPolarHBondContact O-CD2 3.48Å; A10-F14 PolarHBondContact O-N 2.88Å; N11-F14 PolarHBondContact O-N 3.25Å; F14-R18 VanDerWaalsContact O-CB 3.28Å; F14-R18 WeakPolarHBondContact O-CB 3.39Å; F14-R18 PolarHBondContact O-N 3.05Å; F14-C38 WeakPolarHBondContact CZ-O 3.44Å; F14-D40 HydrophobicContact CE2-CB 4Å; F14-D40 HydrophobicContact CZ-CB 4.19Å; F14-T44 WeakPolarHBondContact CE1-O 3.28Å; F14-A46 HydrophobicContact CD1-CB 4.16Å; F14-A46 HydrophobicContact CE1-CB 4.3Å; F14-V49 HydrophobicContact CD1-CG2 4.22Å
15W96.3Very high90.4Very high136 Ų13663.4 Ų63.452%0.51533%0.326SS..Hα-helixtrans-64.2-45.4176-175.894.5000112N11 A12 V13 A17 R18 K19 N21 L24N11-W15 WeakPolarHBondContact O-CB 3.43Å; N11-W15 PolarHBondContact O-N 3.2Å; A12-W15 PolarHBondContact O-N 3.31Å; V13-W15 VanDerWaalsContact C-N 3.3Å; V13-W15 PolarHBondContact O-N 2.94Å; W15-A17 PolarHBondContact O-N 2.92Å; W15-R18 PolarHBondContact O-N 2.97Å; W15-K19 HydrophobicContact CD2-CG 3.99Å; W15-K19 HydrophobicContact CE3-CG 4.42Å; W15-K19 HydrophobicContact CG-CG 4.49Å; W15-K19 HydrophobicContact CH2-CG 4.28Å; W15-K19 HydrophobicContact CZ2-CG 3.84Å; W15-K19 WeakPolarHBondContact O-CB 3.26Å; W15-K19 WeakPolarHBondContact O-CG 3.18Å; W15-K19 PolarHBondContact O-N 3.2Å; W15-N21 HydrophobicContact CZ3-CB 4.43Å; W15-L24 HydrophobicContact CE3-CD2 3.86Å; W15-L24 HydrophobicContact CZ3-CD2 3.74Å
16A97.2Very high92.4Very high0 Ų057.5 Ų57.50%030%0.302CS..Hα-helixtrans-60.6-46177.400000111.1A12 V13 R18 K19 G20 N21 L24 L25A12-A16 WeakPolarHBondContact O-CB 3.25Å; A12-A16 PolarHBondContact O-N 3.18Å; V13-A16 PolarHBondContact O-N 2.95Å; A16-R18 PolarHBondContact O-N 3.24Å; A16-K19 PolarHBondContact O-N 3.12Å; A16-G20 PolarHBondContact O-N 2.78Å; A16-N21 HydrophobicContact CB-CB 4.5Å; A16-N21 PolarHBondContact O-N 3.3Å; A16-L24 HydrophobicContact CB-CB 4.22Å; A16-L24 HydrophobicContact CB-CD2 4.02Å; A16-L24 HydrophobicContact CB-CG 4.04Å; A16-L25 HydrophobicContact CB-CB 4.07Å; A16-L25 HydrophobicContact CB-CD1 4.4Å
17A97.4Very high94.1Very high0 Ų059.3 Ų59.30%031%0.313CS..Hα-helixtrans-60-44.7174.800000111.9V13 W15 K19 G20 A46 V49 A50 H55V13-A17 WeakPolarHBondContact O-CB 3.24Å; V13-A17 PolarHBondContact O-N 3.47Å; W15-A17 PolarHBondContact O-N 2.92Å; A17-K19 PolarHBondContact O-N 3.06Å; A17-G20 PolarHBondContact O-N 3.18Å; A17-A46 HydrophobicContact CB-CB 4.34Å; A17-V49 HydrophobicContact CB-CB 4.37Å; A17-V49 HydrophobicContact CB-CG1 4.25Å; A17-A50 HydrophobicContact CB-CB 4.24Å; A17-H55 PolarHBondContact O-CD2 3.06Å
18R97.4Very high94.9Very high168 Ų16856.8 Ų56.863%0.63430%0.298SS*.Hα-helixtrans-67-34.7179.6-170.9174.1179.3176.71.1113.4F14 W15 A16 V49 H55F14-R18 VanDerWaalsContact O-CB 3.28Å; F14-R18 WeakPolarHBondContact O-CB 3.39Å; F14-R18 PolarHBondContact O-N 3.05Å; W15-R18 PolarHBondContact O-N 2.97Å; A16-R18 PolarHBondContact O-N 3.24Å; R18-V49 HydrophobicContact CB-CG1 3.55Å; R18-V49 HydrophobicContact CG-CG1 4.2Å; R18-H55 PolarHBondContact O-CD2 2.82Å; R18-H55 PolarHBondContact O-NE2 3.07Å
19K97.9Very high95.3Very high128 Ų12851.9 Ų51.956%0.55727%0.265SS*.Hα-helixtrans-91-5.4-178.5-66.8-60-174.9179.40113.8W15 A16 A17 N21W15-K19 HydrophobicContact CD2-CG 3.99Å; W15-K19 HydrophobicContact CE3-CG 4.42Å; W15-K19 HydrophobicContact CG-CG 4.49Å; W15-K19 HydrophobicContact CH2-CG 4.28Å; W15-K19 HydrophobicContact CZ2-CG 3.84Å; W15-K19 WeakPolarHBondContact O-CB 3.26Å; W15-K19 WeakPolarHBondContact O-CG 3.18Å; W15-K19 PolarHBondContact O-N 3.2Å; A16-K19 PolarHBondContact O-N 3.12Å; A17-K19 PolarHBondContact O-N 3.06Å; K19-N21 PolarHBondContact O-N 3.44Å
20G97.3Very high95.5Very high28 Ų2854 Ų5429%0.28928%0.277SS..THydrogen-bonded Turntrans70.322.5-176.100000112.9A16 A17 L22 H55A16-G20 PolarHBondContact O-N 2.78Å; A17-G20 PolarHBondContact O-N 3.18Å; G20-L22 VanDerWaalsContact C-N 3.33Å; G20-L22 PolarHBondContact O-N 3.39Å; G20-H55 PolarHBondContact N-CD2 2.67Å; G20-H55 VanDerWaalsContact N-CD2 3.29Å; G20-H55 PolarHBondContact N-NE2 3.39Å
21N98Very high95.6Very high59 Ų5956.2 Ų56.232%0.31629%0.292SS..  trans-82.880.7180-170.9-19.9000110W15 A16 K19 A23 L24 L25W15-N21 HydrophobicContact CZ3-CB 4.43Å; A16-N21 HydrophobicContact CB-CB 4.5Å; A16-N21 PolarHBondContact O-N 3.3Å; K19-N21 PolarHBondContact O-N 3.44Å; N21-A23 VanDerWaalsContact C-N 3.32Å; N21-A23 PolarHBondContact O-N 3.44Å; N21-L24 HydrophobicContact CB-CB 4.23Å; N21-L24 VanDerWaalsContact CG-CB 3.5Å; N21-L24 PolarHBondContact O-N 3.15Å; N21-L24 WeakPolarHBondContact OD1-CB 3.47Å; N21-L24 PolarHBondContact OD1-N 3.04Å; N21-L25 WeakPolarHBondContact O-CB 3.28Å; N21-L25 PolarHBondContact O-N 3.16Å
22L97.6Very high95.3Very high48 Ų4856.3 Ų56.325%0.25131%0.309SS..Hα-helixtrans-57.4-42.8-178.817964.9000112.4G20 L24 L25 Q26 D57 E61G20-L22 VanDerWaalsContact C-N 3.33Å; G20-L22 PolarHBondContact O-N 3.39Å; L22-L24 PolarHBondContact O-N 2.66Å; L22-L25 WeakPolarHBondContact O-CB 3.15Å; L22-L25 PolarHBondContact O-N 2.83Å; L22-Q26 HydrophobicContact CD1-CG 4.06Å; L22-Q26 HydrophobicContact CG-CG 4.3Å; L22-Q26 WeakPolarHBondContact O-CB 3.28Å; L22-Q26 WeakPolarHBondContact O-CG 3.29Å; L22-Q26 PolarHBondContact O-N 3.46Å; L22-D57 HydrophobicContact CD1-CB 4.49Å; L22-D57 HydrophobicContact CD2-CB 4.01Å; L22-E61 HydrophobicContact CD1-CB 3.73Å; L22-E61 HydrophobicContact CD1-CG 4.08Å
23A97.4Very high94.9Very high68 Ų6864.3 Ų64.356%0.56233%0.333SS*.Hα-helixtrans-62.4-44-177.600000111.9N21 L27N21-A23 VanDerWaalsContact C-N 3.32Å; N21-A23 PolarHBondContact O-N 3.44Å; A23-L27 WeakPolarHBondContact O-CB 3.29Å; A23-L27 PolarHBondContact O-N 3.15Å
24L96.5Very high94.5Very high50 Ų5065.1 Ų65.126%0.26234%0.337SS..Hα-helixtrans-66.4-41.4174.8179.460.2000111.3W15 A16 N21 L22 L27 L28W15-L24 HydrophobicContact CE3-CD2 3.86Å; W15-L24 HydrophobicContact CZ3-CD2 3.74Å; A16-L24 HydrophobicContact CB-CB 4.22Å; A16-L24 HydrophobicContact CB-CD2 4.02Å; A16-L24 HydrophobicContact CB-CG 4.04Å; N21-L24 HydrophobicContact CB-CB 4.23Å; N21-L24 VanDerWaalsContact CG-CB 3.5Å; N21-L24 PolarHBondContact O-N 3.15Å; N21-L24 WeakPolarHBondContact OD1-CB 3.47Å; N21-L24 PolarHBondContact OD1-N 3.04Å; L22-L24 PolarHBondContact O-N 2.66Å; L24-L27 PolarHBondContact O-N 3.12Å; L24-L28 HydrophobicContact CD1-CD1 4.04Å; L24-L28 HydrophobicContact CD1-CG 4.07Å; L24-L28 HydrophobicContact CG-CD1 3.88Å; L24-L28 HydrophobicContact CG-CG 4.35Å; L24-L28 WeakPolarHBondContact O-CB 3.19Å; L24-L28 VanDerWaalsContact O-CG 3.25Å; L24-L28 WeakPolarHBondContact O-CG 3.32Å; L24-L28 PolarHBondContact O-N 3.38Å
25L96.4Very high94.2Very high0 Ų068.5 Ų68.50%036%0.357CS..Hα-helixtrans-59-49.4178.1-175.263.3000111.3V13 A16 N21 L22 L27 L28 L29 C58 L62V13-L25 HydrophobicContact CG1-CD1 3.76Å; A16-L25 HydrophobicContact CB-CB 4.07Å; A16-L25 HydrophobicContact CB-CD1 4.4Å; N21-L25 WeakPolarHBondContact O-CB 3.28Å; N21-L25 PolarHBondContact O-N 3.16Å; L22-L25 WeakPolarHBondContact O-CB 3.15Å; L22-L25 PolarHBondContact O-N 2.83Å; L25-L27 PolarHBondContact O-N 3.35Å; L25-L28 PolarHBondContact O-N 2.95Å; L25-L29 HydrophobicContact CD1-CD1 3.97Å; L25-L29 HydrophobicContact CD1-CG 4.3Å; L25-L29 HydrophobicContact CG-CD1 3.92Å; L25-L29 VanDerWaalsContact O-CG 3.32Å; L25-L29 WeakPolarHBondContact O-CG 3.34Å; L25-L29 PolarHBondContact O-N 3.06Å; L25-C58 HydrophobicContact CD2-CB 3.63Å; L25-L62 HydrophobicContact CD1-CD2 4.31Å; L25-L62 HydrophobicContact CD2-CD1 4.24Å; L25-L62 HydrophobicContact CD2-CG 4.11Å
26Q96.1Very high93.9Very high66 Ų6662.6 Ų62.631%0.30834%0.337SS..Hα-helixtrans-59.4-44.7176-75.4176-25.900111.9L22 L28 L29 N30 E61L22-Q26 HydrophobicContact CD1-CG 4.06Å; L22-Q26 HydrophobicContact CG-CG 4.3Å; L22-Q26 WeakPolarHBondContact O-CB 3.28Å; L22-Q26 WeakPolarHBondContact O-CG 3.29Å; L22-Q26 PolarHBondContact O-N 3.46Å; Q26-L28 VanDerWaalsContact C-N 3.32Å; Q26-L28 PolarHBondContact O-N 3.46Å; Q26-L29 PolarHBondContact O-N 2.8Å; Q26-N30 WeakPolarHBondContact O-CB 3.43Å; Q26-N30 PolarHBondContact O-N 3.09Å; Q26-N30 PolarHBondContact O-ND2 3.12Å; Q26-E61 HydrophobicContact CG-CG 3.81Å; Q26-E61 PolarHBondContact NE2-OE2 2.92Å
27L95.3Very high93.7Very high119 Ų11964.3 Ų64.362%0.62335%0.346SS*.Hα-helixtrans-59.9-43.5177.1-175.5153.5000111.6A23 L24 L25 S31A23-L27 WeakPolarHBondContact O-CB 3.29Å; A23-L27 PolarHBondContact O-N 3.15Å; L24-L27 PolarHBondContact O-N 3.12Å; L25-L27 PolarHBondContact O-N 3.35Å; L27-S31 PolarHBondContact O-N 2.82Å
28L94.4Very high93.4Very high13 Ų1365 Ų657%0.06835%0.351CS..Hα-helixtrans-68.6-45.4-179.2-69.8170.1000112L9 A12 V13 L24 L25 Q26 S31L9-L28 HydrophobicContact CD2-CD2 4.09Å; A12-L28 HydrophobicContact CB-CD1 3.73Å; A12-L28 HydrophobicContact CB-CD2 4.4Å; V13-L28 HydrophobicContact CG2-CB 3.79Å; V13-L28 HydrophobicContact CG2-CD1 3.83Å; V13-L28 HydrophobicContact CG2-CG 4.4Å; L24-L28 HydrophobicContact CD1-CD1 4.04Å; L24-L28 HydrophobicContact CD1-CG 4.07Å; L24-L28 HydrophobicContact CG-CD1 3.88Å; L24-L28 HydrophobicContact CG-CG 4.35Å; L24-L28 WeakPolarHBondContact O-CB 3.19Å; L24-L28 VanDerWaalsContact O-CG 3.25Å; L24-L28 WeakPolarHBondContact O-CG 3.32Å; L24-L28 PolarHBondContact O-N 3.38Å; L25-L28 PolarHBondContact O-N 2.95Å; Q26-L28 VanDerWaalsContact C-N 3.32Å; Q26-L28 PolarHBondContact O-N 3.46Å; L28-S31 WeakPolarHBondContact O-CB 3.45Å; L28-S31 PolarHBondContact O-N 3.11Å; L28-S31 PolarHBondContact O-OG 3.31Å
29L92.1Very high93.2Very high10 Ų1062.8 Ų62.85%0.05234%0.342CS..Hα-helixtrans-68.6-44.4-179.5-63.9175.1000111.4L25 Q26 S31 G32 A36 E61 L62 Q65L25-L29 HydrophobicContact CD1-CD1 3.97Å; L25-L29 HydrophobicContact CD1-CG 4.3Å; L25-L29 HydrophobicContact CG-CD1 3.92Å; L25-L29 VanDerWaalsContact O-CG 3.32Å; L25-L29 WeakPolarHBondContact O-CG 3.34Å; L25-L29 PolarHBondContact O-N 3.06Å; Q26-L29 PolarHBondContact O-N 2.8Å; L29-S31 PolarHBondContact O-N 3.26Å; L29-S31 VanDerWaalsContact O-N 3.15Å; L29-G32 PolarHBondContact O-N 2.94Å; L29-A36 HydrophobicContact CD2-CB 4.01Å; L29-E61 HydrophobicContact CD1-CG 4.45Å; L29-L62 HydrophobicContact CD1-CD2 3.77Å; L29-L62 HydrophobicContact CD1-CG 4.49Å; L29-Q65 HydrophobicContact CB-CG 4.41Å; L29-Q65 HydrophobicContact CD1-CG 3.96Å
30N93.1Very high92.9Very high112 Ų11258.5 Ų58.560%0.59933%0.325SS*.Hα-helixtrans-68.8-13.4178.4-66.4-22.3000113.5Q26 G32 Q65Q26-N30 WeakPolarHBondContact O-CB 3.43Å; Q26-N30 PolarHBondContact O-N 3.09Å; Q26-N30 PolarHBondContact O-ND2 3.12Å; N30-G32 PolarHBondContact O-N 3.43Å; N30-Q65 PolarHBondContact OD1-NE2 3.02Å
31S90.4Very high92.6Very high52 Ų5260.4 Ų60.436%0.36433%0.334SS..THydrogen-bonded Turntrans-67.4-17.7174.2790000113.3L27 L28 L29 R33L27-S31 PolarHBondContact O-N 2.82Å; L28-S31 WeakPolarHBondContact O-CB 3.45Å; L28-S31 PolarHBondContact O-N 3.11Å; L28-S31 PolarHBondContact O-OG 3.31Å; L29-S31 PolarHBondContact O-N 3.26Å; L29-S31 VanDerWaalsContact O-N 3.15Å; S31-R33 PolarHBondContact O-N 3.4Å; S31-R33 VanDerWaalsContact O-N 3.16Å; S31-R33 PolarHBondContact OG-N 2.87Å
32G84.8Confident92.4Very high71 Ų7163 Ų6373%0.73234%0.343SS*.THydrogen-bonded Turntrans68.14.7-175.300000114.4L29 N30L29-G32 PolarHBondContact O-N 2.94Å; N30-G32 PolarHBondContact O-N 3.43Å
33R86.1Confident92.2Very high199 Ų19961.3 Ų61.375%0.75134%0.338SS*.SBendtrans-90.6-13.8-177.7-60.3-176.8-178.8-164.7-0.4113.6L9 S31L9-R33 HydrophobicContact CD1-CB 4Å; S31-R33 PolarHBondContact O-N 3.4Å; S31-R33 VanDerWaalsContact O-N 3.16Å; S31-R33 PolarHBondContact OG-N 2.87Å
34V87.8Confident92.2Very high16 Ų1659 Ų5910%0.09732%0.316CS..SBendtrans-130.4133.5179.8-174.50000108.7L9 A10 V13 C38L9-V34 HydrophobicContact CB-CG2 3.39Å; L9-V34 HydrophobicContact CD1-CG2 4.35Å; L9-V34 HydrophobicContact CG-CG2 4.43Å; A10-V34 HydrophobicContact CB-CG1 4.48Å; V13-V34 HydrophobicContact CG2-CB 4.3Å; V13-V34 HydrophobicContact CG2-CG1 3.88Å; V13-V34 HydrophobicContact CG2-CG2 4.45Å; V34-C38 HydrophobicContact CG1-CB 4Å
35D88.9Confident92.2Very high96 Ų9656.7 Ų56.751%0.51331%0.305SS..  trans-72.7134.4171.9-168.6-20.7000109.3D37 C38D35-D37 PolarHBondContact O-N 2.85Å; D35-D37 PolarHBondContact OD1-N 3.44Å; D35-C38 WeakPolarHBondContact O-CB 3.24Å; D35-C38 PolarHBondContact O-N 3.24Å
36A89.7Confident92.2Very high11 Ų1156.7 Ų56.79%0.09131%0.305CS..THydrogen-bonded Turntrans-63-27.6177.800000111.6L29 C38 Q65 T67L29-A36 HydrophobicContact CD2-CB 4.01Å; A36-C38 PolarHBondContact O-N 3.04Å; A36-Q65 HydrophobicContact CB-CB 3.97Å; A36-T67 VanDerWaalsContact C-CG2 3.47Å; A36-T67 HydrophobicContact CB-CG2 3.37Å; A36-T67 WeakPolarHBondContact O-CG2 3.47Å
37D93.3Very high92.3Very high36 Ų3653.6 Ų53.619%0.19329%0.29CS..THydrogen-bonded Turntrans-87.423.5172.5-79.6-26.1000113D35 R39 T67 D68 L71D35-D37 PolarHBondContact O-N 2.85Å; D35-D37 PolarHBondContact OD1-N 3.44Å; D37-R39 WeakPolarHBondContact O-CG 3.43Å; D37-R39 PolarHBondContact O-N 2.88Å; D37-T67 VanDerWaalsContact OD1-CA 3.29Å; D37-T67 WeakPolarHBondContact OD1-CA 3.46Å; D37-T67 WeakPolarHBondContact OD1-CB 3.42Å; D37-T67 WeakPolarHBondContact OD1-CG2 3.43Å; D37-D68 PolarHBondContact OD1-N 2.96Å; D37-D68 VanDerWaalsContact OD1-N 3.12Å; D37-D68 PolarHBondContact OD2-N 3.18Å; D37-L71 HydrophobicContact CB-CD1 4.15Å
38C90.7Very high92.5Very high15 Ų1548 Ų4810%0.10126%0.261CS..  trans-56138.417567.70000111.3A10 F14 V34 D35 A36 T45A10-C38 HydrophobicContact CB-CB 4.19Å; F14-C38 WeakPolarHBondContact CZ-O 3.44Å; V34-C38 HydrophobicContact CG1-CB 4Å; D35-C38 WeakPolarHBondContact O-CB 3.24Å; D35-C38 PolarHBondContact O-N 3.24Å; A36-C38 PolarHBondContact O-N 3.04Å; C38-T45 WeakPolarHBondContact O-CA 3.4Å
39R92.9Very high92.6Very high122 Ų12248.7 Ų48.746%0.4627%0.265SS..BIsolated β-bridgetrans-120.2140.3-178.5-64.5-179-166.4141.79.8111.2D37 T44 T45D37-R39 WeakPolarHBondContact O-CG 3.43Å; D37-R39 PolarHBondContact O-N 2.88Å; R39-T44 WeakPolarHBondContact CA-O 3.32Å; R39-T45 HydrophobicContact CG-CG2 4.01Å
40D92.1Very high92.9Very high38 Ų3848.2 Ų48.220%0.20326%0.263CS..  trans-76.2-180166.375.43.4000111.2E6 F14 F42 G43 T44E6-D40 WeakPolarHBondContact OE1-CB 3.44Å; F14-D40 HydrophobicContact CE2-CB 4Å; F14-D40 HydrophobicContact CZ-CB 4.19Å; D40-F42 PolarHBondContact O-N 3.37Å; D40-F42 VanDerWaalsContact O-N 3.11Å; D40-F42 WeakPolarHBondContact OD1-CA 3.5Å; D40-F42 WeakPolarHBondContact OD1-CB 3.25Å; D40-F42 PolarHBondContact OD1-N 3.03Å; D40-G43 PolarHBondContact O-N 3.47Å; D40-G43 PolarHBondContact OD1-N 3.36Å; D40-G43 VanDerWaalsContact OD1-N 3.11Å; D40-T44 VanDerWaalsContact CG-CB 3.43Å; D40-T44 PolarHBondContact N-O 2.92Å; D40-T44 VanDerWaalsContact N-O 3.09Å; D40-T44 WeakPolarHBondContact OD1-CA 3.37Å; D40-T44 VanDerWaalsContact OD1-CB 3.24Å; D40-T44 WeakPolarHBondContact OD1-CB 3.45Å; D40-T44 PolarHBondContact OD1-N 3.02Å; D40-T44 PolarHBondContact OD1-OG1 3.42Å; D40-T44 VanDerWaalsContact OD1-OG1 3.07Å; D40-T44 VanDerWaalsContact OD2-CB 3.23Å; D40-T44 WeakPolarHBondContact OD2-CB 3.22Å; D40-T44 PolarHBondContact OD2-OG1 3.23Å; D40-T44 VanDerWaalsContact OD2-OG1 3.06Å
41S92.1Very high93.2Very high68 Ų6842.9 Ų42.948%0.47623%0.234SC..THydrogen-bonded Turntrans-59.5-15.2177.243.80000115.1E6E6-S41 WeakPolarHBondContact OE1-CB 3.39Å; E6-S41 PolarHBondContact OE1-N 3.29Å; E6-S41 PolarHBondContact OE1-OG 3.21Å
42F92.4Very high93.6Very high112 Ų11245.7 Ų45.749%0.49124%0.238SC..THydrogen-bonded Turntrans-103.25.5176.1-55.4-71.9000112.9D40 T44 R73 E74D40-F42 PolarHBondContact O-N 3.37Å; D40-F42 VanDerWaalsContact O-N 3.11Å; D40-F42 WeakPolarHBondContact OD1-CA 3.5Å; D40-F42 WeakPolarHBondContact OD1-CB 3.25Å; D40-F42 PolarHBondContact OD1-N 3.03Å; F42-T44 VanDerWaalsContact C-N 3.32Å; F42-R73 WeakPolarHBondContact O-CB 3.35Å; F42-E74 WeakPolarHBondContact O-CB 3.49Å; F42-E74 WeakPolarHBondContact O-CG 3.45Å; F42-E74 PolarHBondContact O-N 3.37Å
43G94.3Very high94.2Very high14 Ų1443.8 Ų43.814%0.14421%0.213CC..  trans78.212.3-175.400000114.3D40D40-G43 PolarHBondContact O-N 3.47Å; D40-G43 PolarHBondContact OD1-N 3.36Å; D40-G43 VanDerWaalsContact OD1-N 3.11Å
44T96Very high94.8Very high19 Ų1935.5 Ų35.512%0.11719%0.189CC..  trans-74.2129.8-179.7-44.10000110.5F14 R39 D40 F42 M48 V49F14-T44 WeakPolarHBondContact CE1-O 3.28Å; R39-T44 WeakPolarHBondContact CA-O 3.32Å; D40-T44 VanDerWaalsContact CG-CB 3.43Å; D40-T44 PolarHBondContact N-O 2.92Å; D40-T44 VanDerWaalsContact N-O 3.09Å; D40-T44 WeakPolarHBondContact OD1-CA 3.37Å; D40-T44 VanDerWaalsContact OD1-CB 3.24Å; D40-T44 WeakPolarHBondContact OD1-CB 3.45Å; D40-T44 PolarHBondContact OD1-N 3.02Å; D40-T44 PolarHBondContact OD1-OG1 3.42Å; D40-T44 VanDerWaalsContact OD1-OG1 3.07Å; D40-T44 VanDerWaalsContact OD2-CB 3.23Å; D40-T44 WeakPolarHBondContact OD2-CB 3.22Å; D40-T44 PolarHBondContact OD2-OG1 3.23Å; D40-T44 VanDerWaalsContact OD2-OG1 3.06Å; F42-T44 VanDerWaalsContact C-N 3.32Å; T44-M48 HydrophobicContact CG2-CB 3.92Å; T44-M48 HydrophobicContact CG2-SD 4.09Å; T44-V49 HydrophobicContact CG2-CG2 3.88Å
45T96.9Very high95.3Very high2 Ų237.5 Ų37.51%0.01220%0.198CC..BIsolated β-bridgetrans-93.8162.7175.667.70000112.1C38 R39 L47 M48 V49 L71C38-T45 WeakPolarHBondContact O-CA 3.4Å; R39-T45 HydrophobicContact CG-CG2 4.01Å; T45-L47 PolarHBondContact O-N 3.46Å; T45-M48 HydrophobicContact CG2-CE 4.27Å; T45-M48 PolarHBondContact N-SD 2.95Å; T45-M48 WeakPolarHBondContact O-CB 3.32Å; T45-M48 PolarHBondContact O-N 3.04Å; T45-M48 WeakPolarHBondContact OG1-CG 3.4Å; T45-M48 PolarHBondContact OG1-N 3.48Å; T45-V49 WeakPolarHBondContact O-CG2 3.46Å; T45-V49 PolarHBondContact O-N 3.25Å; T45-V49 VanDerWaalsContact O-N 3.16Å; T45-L71 HydrophobicContact CG2-CB 4.21Å; T45-L71 HydrophobicContact CG2-CD1 3.78Å
46A96.9Very high95.8Very high0 Ų036.6 Ų36.60%019%0.188CC..Hα-helixtrans-61.1-33.7174.100000111.8V13 F14 A17 V49 A50 L62V13-A46 HydrophobicContact CG1-CB 3.62Å; F14-A46 HydrophobicContact CD1-CB 4.16Å; F14-A46 HydrophobicContact CE1-CB 4.3Å; A17-A46 HydrophobicContact CB-CB 4.34Å; A46-V49 PolarHBondContact O-N 2.97Å; A46-A50 PolarHBondContact O-N 2.95Å; A46-L62 HydrophobicContact CB-CD1 3.88Å; A46-L62 HydrophobicContact CB-CD2 3.8Å
47L98.4Very high96.2Very high1 Ų139.8 Ų39.81%0.00520%0.203CC..Hα-helixtrans-65-40.5176.5-17861.1000111.5T45 V49 A50 S51 A59 L62 I63 I69 A79 L95T45-L47 PolarHBondContact O-N 3.46Å; L47-V49 VanDerWaalsContact C-N 3.33Å; L47-V49 PolarHBondContact O-N 3.37Å; L47-A50 PolarHBondContact O-N 3.31Å; L47-S51 WeakPolarHBondContact O-CB 3.34Å; L47-S51 PolarHBondContact O-N 2.64Å; L47-S51 PolarHBondContact O-OG 3.44Å; L47-A59 HydrophobicContact CD1-CB 3.94Å; L47-L62 HydrophobicContact CB-CB 4.49Å; L47-L62 HydrophobicContact CB-CD1 4.39Å; L47-L62 HydrophobicContact CD1-CB 4.25Å; L47-I63 HydrophobicContact CD1-CD1 4.25Å; L47-I63 HydrophobicContact CD1-CG1 3.99Å; L47-I63 HydrophobicContact CD2-CG1 4.16Å; L47-I69 HydrophobicContact CD2-CB 4.49Å; L47-I69 HydrophobicContact CD2-CG1 4.28Å; L47-A79 HydrophobicContact CD2-CB 4.08Å; L47-A79 HydrophobicContact CG-CB 3.81Å; L47-L95 HydrophobicContact CD1-CD2 4.32Å; L47-L95 HydrophobicContact CD2-CD2 4.16Å; L47-L95 HydrophobicContact CG-CD2 4.43Å
48M98.5Very high96.4Very high2 Ų238.1 Ų38.11%0.0120%0.195CC..Hα-helixtrans-61.2-41.9172.9-69.8170.5-169.900111.8T44 T45 S51 Y52 L71 R73 S77 A79 F82T44-M48 HydrophobicContact CG2-CB 3.92Å; T44-M48 HydrophobicContact CG2-SD 4.09Å; T45-M48 HydrophobicContact CG2-CE 4.27Å; T45-M48 PolarHBondContact N-SD 2.95Å; T45-M48 WeakPolarHBondContact O-CB 3.32Å; T45-M48 PolarHBondContact O-N 3.04Å; T45-M48 WeakPolarHBondContact OG1-CG 3.4Å; T45-M48 PolarHBondContact OG1-N 3.48Å; M48-S51 PolarHBondContact O-N 3.38Å; M48-Y52 WeakPolarHBondContact O-CB 3.4Å; M48-Y52 PolarHBondContact O-N 3.44Å; M48-L71 HydrophobicContact CE-CB 4.32Å; M48-L71 WeakPolarHBondContact CE-O 3.2Å; M48-R73 HydrophobicContact CE-CB 4.18Å; M48-R73 HydrophobicContact SD-CB 3.95Å; M48-S77 WeakPolarHBondContact CE-O 3.25Å; M48-A79 HydrophobicContact CG-CB 4.32Å; M48-F82 HydrophobicContact CB-CD2 3.78Å; M48-F82 HydrophobicContact CB-CE2 3.96Å; M48-F82 HydrophobicContact CG-CD2 4.02Å; M48-F82 HydrophobicContact CG-CE2 4.12Å; M48-F82 HydrophobicContact SD-CE2 4.11Å
49V98.1Very high96.8Very high26 Ų2637.4 Ų37.416%0.15819%0.19CC..Hα-helixtrans-66.5-45179.2176.60000111.7F14 A17 R18 T44 T45 A46 L47 S51 Y52 S53F14-V49 HydrophobicContact CD1-CG2 4.22Å; A17-V49 HydrophobicContact CB-CB 4.37Å; A17-V49 HydrophobicContact CB-CG1 4.25Å; R18-V49 HydrophobicContact CB-CG1 3.55Å; R18-V49 HydrophobicContact CG-CG1 4.2Å; T44-V49 HydrophobicContact CG2-CG2 3.88Å; T45-V49 WeakPolarHBondContact O-CG2 3.46Å; T45-V49 PolarHBondContact O-N 3.25Å; T45-V49 VanDerWaalsContact O-N 3.16Å; A46-V49 PolarHBondContact O-N 2.97Å; L47-V49 VanDerWaalsContact C-N 3.33Å; L47-V49 PolarHBondContact O-N 3.37Å; V49-S51 VanDerWaalsContact C-N 3.31Å; V49-Y52 PolarHBondContact O-N 3.36Å; V49-S53 WeakPolarHBondContact O-CB 3.44Å; V49-S53 PolarHBondContact O-N 2.97Å; V49-S53 PolarHBondContact O-OG 3.27Å
50A98.4Very high97Very high0 Ų036.2 Ų36.20%019%0.185CC..Hα-helixtrans-62.4-40.9174.900000111.1A17 A46 L47 S53 G54 H55 C58 A59 L62A17-A50 HydrophobicContact CB-CB 4.24Å; A46-A50 PolarHBondContact O-N 2.95Å; L47-A50 PolarHBondContact O-N 3.31Å; A50-S53 CarbonylContact O-C 3.52Å; A50-S53 PolarHBondContact O-N 3.41Å; A50-G54 PolarHBondContact O-N 3.04Å; A50-H55 PolarHBondContact O-N 3Å; A50-H55 VanDerWaalsContact O-N 3.08Å; A50-C58 HydrophobicContact CB-CB 4.14Å; A50-A59 HydrophobicContact CB-CB 4.23Å; A50-L62 HydrophobicContact CB-CD1 4.16Å
51S98.6Very high97.3Very high0 Ų035.9 Ų35.90%018%0.182CC..Hα-helixtrans-66.1-42.8178.5-64.20000112.9L47 M48 V49 S53 G54 A79 A83 H88L47-S51 WeakPolarHBondContact O-CB 3.34Å; L47-S51 PolarHBondContact O-N 2.64Å; L47-S51 PolarHBondContact O-OG 3.44Å; M48-S51 PolarHBondContact O-N 3.38Å; V49-S51 VanDerWaalsContact C-N 3.31Å; S51-S53 VanDerWaalsContact C-N 3.29Å; S51-S53 PolarHBondContact O-N 3.27Å; S51-G54 PolarHBondContact O-N 2.79Å; S51-A79 WeakPolarHBondContact CB-O 3.36Å; S51-A83 WeakPolarHBondContact O-CA 3.45Å; S51-H88 PolarHBondContact O-CD2 3.37Å; S51-H88 VanDerWaalsContact O-CD2 3.31Å
52Y98.6Very high97.5Very high111 Ų11132.7 Ų32.744%0.43516%0.16SC..Hα-helixtrans-63-35.8172.7-178.1-88.1000112.2M48 V49 F82 Q86 H88M48-Y52 WeakPolarHBondContact O-CB 3.4Å; M48-Y52 PolarHBondContact O-N 3.44Å; V49-Y52 PolarHBondContact O-N 3.36Å; Y52-F82 HydrophobicContact CD2-CB 4.33Å; Y52-F82 AromaticContact CD2-CD1 3.7Å; Y52-F82 HydrophobicContact CD2-CD1 3.7Å; Y52-F82 HydrophobicContact CD2-CE1 4.33Å; Y52-F82 HydrophobicContact CD2-CG 4.29Å; Y52-F82 HydrophobicContact CE2-CD1 4.46Å; Y52-Q86 HydrophobicContact CD2-CG 3.91Å; Y52-Q86 HydrophobicContact CE2-CG 4.06Å; Y52-Q86 HydrophobicContact CG-CG 4.29Å; Y52-Q86 VanDerWaalsContact CZ-NE2 3.26Å; Y52-Q86 WeakPolarHBondContact O-CG 3.4Å; Y52-Q86 PolarHBondContact OH-NE2 3.23Å; Y52-H88 PolarHBondContact O-NE2 3.02Å
53S98.1Very high97.7Very high32 Ų3228 Ų2822%0.22414%0.14CC..Hα-helixtrans-89.3-7.9-175.9-49.60000113.4V49 A50 S51 H55V49-S53 WeakPolarHBondContact O-CB 3.44Å; V49-S53 PolarHBondContact O-N 2.97Å; V49-S53 PolarHBondContact O-OG 3.27Å; A50-S53 CarbonylContact O-C 3.52Å; A50-S53 PolarHBondContact O-N 3.41Å; S51-S53 VanDerWaalsContact C-N 3.29Å; S51-S53 PolarHBondContact O-N 3.27Å; S53-H55 WeakPolarHBondContact CB-CD2 2.92Å
54G98.1Very high97.8Very high24 Ų2432.6 Ų32.625%0.24716%0.159CC..THydrogen-bonded Turntrans76.116.7178.900000115.3A50 S51 Y56 H88A50-G54 PolarHBondContact O-N 3.04Å; S51-G54 PolarHBondContact O-N 2.79Å; G54-Y56 PolarHBondContact O-N 3.26Å; G54-H88 WeakPolarHBondContact CA-CD2 3.32Å; G54-H88 VanDerWaalsContact CA-CG 3.41Å; G54-H88 WeakPolarHBondContact CA-NE2 3.49Å; G54-H88 PolarHBondContact N-CD2 3.09Å; G54-H88 PolarHBondContact N-NE2 2.84Å
55H98.5Very high97.7Very high59 Ų5935.3 Ų35.327%0.27317%0.17SC..  trans-82.783.6-177-64.2-54.1000111A17 R18 G20 A50 S53 D57 C58 A59A17-H55 PolarHBondContact O-CD2 3.06Å; R18-H55 PolarHBondContact O-CD2 2.82Å; R18-H55 PolarHBondContact O-NE2 3.07Å; G20-H55 PolarHBondContact N-CD2 2.67Å; G20-H55 VanDerWaalsContact N-CD2 3.29Å; G20-H55 PolarHBondContact N-NE2 3.39Å; A50-H55 PolarHBondContact O-N 3Å; A50-H55 VanDerWaalsContact O-N 3.08Å; S53-H55 WeakPolarHBondContact CB-CD2 2.92Å; H55-D57 PolarHBondContact O-N 2.82Å; H55-C58 HydrophobicContact CB-CB 4Å; H55-C58 PolarHBondContact O-N 2.99Å; H55-A59 PolarHBondContact O-N 3.31Å
56Y98.5Very high97.4Very high76 Ų7638 Ų3830%0.29820%0.199SC..Hα-helixtrans-50.7-50-176.4176.5-88.6000113.4G54 C58 A59 R60 E90 L94G54-Y56 PolarHBondContact O-N 3.26Å; Y56-C58 VanDerWaalsContact C-N 3.33Å; Y56-C58 PolarHBondContact O-N 3.38Å; Y56-A59 PolarHBondContact O-N 3.48Å; Y56-R60 WeakPolarHBondContact O-CB 3.46Å; Y56-R60 PolarHBondContact O-N 3.04Å; Y56-E90 HydrophobicContact CD2-CB 4.18Å; Y56-L94 HydrophobicContact CD2-CB 4.37Å; Y56-L94 HydrophobicContact CD2-CD2 4.12Å; Y56-L94 HydrophobicContact CE2-CB 3.83Å; Y56-L94 HydrophobicContact CE2-CD1 4.25Å; Y56-L94 HydrophobicContact CE2-CD2 3.95Å; Y56-L94 HydrophobicContact CE2-CG 4.24Å
57D98.4Very high97.3Very high78 Ų7838.6 Ų38.642%0.41720%0.202SC..Hα-helixtrans-65.7-37.2-176.8-66.3-56.6000112.4L22 H55 R60 E61L22-D57 HydrophobicContact CD1-CB 4.49Å; L22-D57 HydrophobicContact CD2-CB 4.01Å; H55-D57 PolarHBondContact O-N 2.82Å; D57-R60 PolarHBondContact O-N 3.5Å; D57-R60 IonicContact OD1-CZ 3.54Å; D57-R60 IonicContact OD1-NH1 3.91Å; D57-R60 IonicContact OD1-NH2 2.83Å; D57-R60 PolarHBondContact OD1-NH2 2.99Å; D57-E61 WeakPolarHBondContact O-CB 3.21Å; D57-E61 PolarHBondContact O-N 3.46Å
58C98.3Very high97.2Very high2 Ų242.2 Ų42.21%0.01422%0.222CC..Hα-helixtrans-66.1-42.4173.9-69.80000111.7L25 A50 H55 Y56 R60 E61 L62L25-C58 HydrophobicContact CD2-CB 3.63Å; A50-C58 HydrophobicContact CB-CB 4.14Å; H55-C58 HydrophobicContact CB-CB 4Å; H55-C58 PolarHBondContact O-N 2.99Å; Y56-C58 VanDerWaalsContact C-N 3.33Å; Y56-C58 PolarHBondContact O-N 3.38Å; C58-R60 VanDerWaalsContact C-N 3.34Å; C58-E61 PolarHBondContact O-N 2.98Å; C58-L62 WeakPolarHBondContact O-CD1 3.34Å; C58-L62 VanDerWaalsContact O-CG 3.32Å; C58-L62 WeakPolarHBondContact O-CG 3.5Å; C58-L62 PolarHBondContact O-N 3.11Å
59A98.3Very high97.1Very high0 Ų042.9 Ų42.90%023%0.225CC..Hα-helixtrans-62-43.4175.800000111.1L47 A50 H55 Y56 L62 I63 V91 L94L47-A59 HydrophobicContact CD1-CB 3.94Å; A50-A59 HydrophobicContact CB-CB 4.23Å; H55-A59 PolarHBondContact O-N 3.31Å; Y56-A59 PolarHBondContact O-N 3.48Å; A59-L62 PolarHBondContact O-N 3.09Å; A59-I63 VanDerWaalsContact O-CG1 3.28Å; A59-I63 WeakPolarHBondContact O-CG1 3.24Å; A59-I63 PolarHBondContact O-N 3.48Å; A59-V91 HydrophobicContact CB-CG1 4.21Å; A59-L94 HydrophobicContact CB-CD2 4.03Å
60R98.2Very high97.1Very high97 Ų9743.4 Ų43.437%0.36623%0.227SC..Hα-helixtrans-62.3-46.1176.7-172.9179.166.4-152.9-13.4111.7Y56 D57 C58 L62 I63 M64 L94Y56-R60 WeakPolarHBondContact O-CB 3.46Å; Y56-R60 PolarHBondContact O-N 3.04Å; D57-R60 PolarHBondContact O-N 3.5Å; D57-R60 IonicContact OD1-CZ 3.54Å; D57-R60 IonicContact OD1-NH1 3.91Å; D57-R60 IonicContact OD1-NH2 2.83Å; D57-R60 PolarHBondContact OD1-NH2 2.99Å; C58-R60 VanDerWaalsContact C-N 3.34Å; R60-L62 VanDerWaalsContact C-N 3.35Å; R60-L62 PolarHBondContact O-N 3.38Å; R60-I63 PolarHBondContact O-N 2.94Å; R60-M64 HydrophobicContact CG-CE 4.37Å; R60-M64 HydrophobicContact CG-CG 4.45Å; R60-M64 VanDerWaalsContact O-CG 3.24Å; R60-M64 WeakPolarHBondContact O-CG 3.29Å; R60-M64 PolarHBondContact O-N 3.29Å; R60-L94 HydrophobicContact CB-CD1 4.34Å; R60-L94 HydrophobicContact CB-CD2 3.88Å; R60-L94 HydrophobicContact CG-CD1 4.23Å
61E97.5Very high97.1Very high31 Ų3144.5 Ų44.515%0.14523%0.233CC..Hα-helixtrans-58.5-47.3176.6-178.164.3-144.300111.3L22 Q26 L29 D57 C58 I63 M64 Q65L22-E61 HydrophobicContact CD1-CB 3.73Å; L22-E61 HydrophobicContact CD1-CG 4.08Å; Q26-E61 HydrophobicContact CG-CG 3.81Å; Q26-E61 PolarHBondContact NE2-OE2 2.92Å; L29-E61 HydrophobicContact CD1-CG 4.45Å; D57-E61 WeakPolarHBondContact O-CB 3.21Å; D57-E61 PolarHBondContact O-N 3.46Å; C58-E61 PolarHBondContact O-N 2.98Å; E61-I63 VanDerWaalsContact C-N 3.31Å; E61-I63 PolarHBondContact O-N 3Å; E61-M64 PolarHBondContact O-N 3Å; E61-M64 VanDerWaalsContact O-N 3.15Å; E61-Q65 VanDerWaalsContact O-CG 3.26Å; E61-Q65 WeakPolarHBondContact O-CG 3.47Å; E61-Q65 PolarHBondContact O-N 3.2Å; E61-Q65 PolarHBondContact OE1-NE2 3.2Å
62L97.3Very high97Very high0 Ų048.5 Ų48.50%025%0.251CS..Hα-helixtrans-59.9-40.9178.3-74.3161.1000112.3L25 L29 A46 L47 A50 C58 A59 R60 Q65 T67L25-L62 HydrophobicContact CD1-CD2 4.31Å; L25-L62 HydrophobicContact CD2-CD1 4.24Å; L25-L62 HydrophobicContact CD2-CG 4.11Å; L29-L62 HydrophobicContact CD1-CD2 3.77Å; L29-L62 HydrophobicContact CD1-CG 4.49Å; A46-L62 HydrophobicContact CB-CD1 3.88Å; A46-L62 HydrophobicContact CB-CD2 3.8Å; L47-L62 HydrophobicContact CB-CB 4.49Å; L47-L62 HydrophobicContact CB-CD1 4.39Å; L47-L62 HydrophobicContact CD1-CB 4.25Å; A50-L62 HydrophobicContact CB-CD1 4.16Å; C58-L62 WeakPolarHBondContact O-CD1 3.34Å; C58-L62 VanDerWaalsContact O-CG 3.32Å; C58-L62 WeakPolarHBondContact O-CG 3.5Å; C58-L62 PolarHBondContact O-N 3.11Å; A59-L62 PolarHBondContact O-N 3.09Å; R60-L62 VanDerWaalsContact C-N 3.35Å; R60-L62 PolarHBondContact O-N 3.38Å; L62-Q65 PolarHBondContact O-N 3.19Å; L62-T67 VanDerWaalsContact C-OG1 3.23Å; L62-T67 HydrophobicContact CB-CG2 4.33Å; L62-T67 HydrophobicContact CD2-CG2 4.49Å; L62-T67 WeakPolarHBondContact O-CB 3.49Å; L62-T67 WeakPolarHBondContact O-CG2 3.47Å; L62-T67 PolarHBondContact O-N 3.35Å; L62-T67 PolarHBondContact O-OG1 3.02Å
63I96.9Very high96.9Very high13 Ų1346.2 Ų46.27%0.06724%0.242CC..Hα-helixtrans-65.1-42.6175.8-67.5166.5000111L47 A59 R60 E61 Q65 G66 I69 L94 L95 F98L47-I63 HydrophobicContact CD1-CD1 4.25Å; L47-I63 HydrophobicContact CD1-CG1 3.99Å; L47-I63 HydrophobicContact CD2-CG1 4.16Å; A59-I63 VanDerWaalsContact O-CG1 3.28Å; A59-I63 WeakPolarHBondContact O-CG1 3.24Å; A59-I63 PolarHBondContact O-N 3.48Å; R60-I63 PolarHBondContact O-N 2.94Å; E61-I63 VanDerWaalsContact C-N 3.31Å; E61-I63 PolarHBondContact O-N 3Å; I63-Q65 PolarHBondContact O-N 3.4Å; I63-G66 PolarHBondContact O-N 3.36Å; I63-I69 HydrophobicContact CD1-CD1 4.46Å; I63-I69 HydrophobicContact CG1-CD1 4.27Å; I63-I69 HydrophobicContact CG1-CG1 4.19Å; I63-I69 HydrophobicContact CG2-CD1 4.03Å; I63-L94 HydrophobicContact CD1-CD2 3.98Å; I63-L94 HydrophobicContact CD1-CG 3.9Å; I63-L95 HydrophobicContact CD1-CD2 4.08Å; I63-F98 HydrophobicContact CG2-CB 3.73Å; I63-F98 HydrophobicContact CG2-CD1 3.54Å; I63-F98 HydrophobicContact CG2-CD2 3.93Å; I63-F98 HydrophobicContact CG2-CE1 4.15Å; I63-F98 HydrophobicContact CG2-CG 3.44Å; I63-F98 VanDerWaalsContact CG2-CG 3.44Å
64M95.8Very high96.9Very high111 Ų11149.5 Ų49.555%0.54725%0.254SS..Hα-helixtrans-64.2-27.1178.1-69.9-66.5160.400113.2R60 E61 G66 F98R60-M64 HydrophobicContact CG-CE 4.37Å; R60-M64 HydrophobicContact CG-CG 4.45Å; R60-M64 VanDerWaalsContact O-CG 3.24Å; R60-M64 WeakPolarHBondContact O-CG 3.29Å; R60-M64 PolarHBondContact O-N 3.29Å; E61-M64 PolarHBondContact O-N 3Å; E61-M64 VanDerWaalsContact O-N 3.15Å; M64-G66 PolarHBondContact O-N 3Å; M64-F98 HydrophobicContact CE-CE1 3.58Å; M64-F98 HydrophobicContact CE-CE2 4.18Å; M64-F98 HydrophobicContact CE-CZ 3.22Å; M64-F98 HydrophobicContact SD-CE1 4.49Å
65Q94Very high96.8Very high76 Ų7650.5 Ų50.536%0.35526%0.255SS..THydrogen-bonded Turntrans-784.1173.6-63.6-72.7-1600113L29 N30 A36 E61 L62 I63L29-Q65 HydrophobicContact CB-CG 4.41Å; L29-Q65 HydrophobicContact CD1-CG 3.96Å; N30-Q65 PolarHBondContact OD1-NE2 3.02Å; A36-Q65 HydrophobicContact CB-CB 3.97Å; E61-Q65 VanDerWaalsContact O-CG 3.26Å; E61-Q65 WeakPolarHBondContact O-CG 3.47Å; E61-Q65 PolarHBondContact O-N 3.2Å; E61-Q65 PolarHBondContact OE1-NE2 3.2Å; L62-Q65 PolarHBondContact O-N 3.19Å; I63-Q65 PolarHBondContact O-N 3.4Å
66G91.3Very high96.8Very high60 Ų6048.2 Ų48.262%0.61925%0.247SC*.THydrogen-bonded Turntrans83.726.2172.700000114.7I63 M64I63-G66 PolarHBondContact O-N 3.36Å; M64-G66 PolarHBondContact O-N 3Å
67T93.4Very high96.7Very high11 Ų1144.9 Ų44.97%0.06724%0.235CC..  trans-62.4143.7174.149.40000112.2A36 D37 L62 I69A36-T67 VanDerWaalsContact C-CG2 3.47Å; A36-T67 HydrophobicContact CB-CG2 3.37Å; A36-T67 WeakPolarHBondContact O-CG2 3.47Å; D37-T67 VanDerWaalsContact OD1-CA 3.29Å; D37-T67 WeakPolarHBondContact OD1-CA 3.46Å; D37-T67 WeakPolarHBondContact OD1-CB 3.42Å; D37-T67 WeakPolarHBondContact OD1-CG2 3.43Å; L62-T67 VanDerWaalsContact C-OG1 3.23Å; L62-T67 HydrophobicContact CB-CG2 4.33Å; L62-T67 HydrophobicContact CD2-CG2 4.49Å; L62-T67 WeakPolarHBondContact O-CB 3.49Å; L62-T67 WeakPolarHBondContact O-CG2 3.47Å; L62-T67 PolarHBondContact O-N 3.35Å; L62-T67 PolarHBondContact O-OG1 3.02Å; T67-I69 PolarHBondContact O-N 3.44Å
68D96.5Very high96.7Very high77 Ų7741.4 Ų41.441%0.41222%0.217SC..  trans-74.1107.8168.3178.9-0.8000109.9D37 N70 L71D37-D68 PolarHBondContact OD1-N 2.96Å; D37-D68 VanDerWaalsContact OD1-N 3.12Å; D37-D68 PolarHBondContact OD2-N 3.18Å; D68-N70 PolarHBondContact O-N 2.84Å; D68-N70 PolarHBondContact OD1-N 3.02Å; D68-L71 HydrophobicContact CB-CD1 3.94Å; D68-L71 HydrophobicContact CB-CD2 4.07Å; D68-L71 HydrophobicContact CB-CG 3.66Å; D68-L71 VanDerWaalsContact O-CG 3.32Å; D68-L71 WeakPolarHBondContact O-CG 3.44Å; D68-L71 PolarHBondContact O-N 3.39Å; D68-L71 WeakPolarHBondContact OD2-CD2 3.19Å
69I97.1Very high96.8Very high16 Ų1641.3 Ų41.38%0.08222%0.217CC..THydrogen-bonded Turntrans-62.1-28.8-176.4-63.7175000112.3L47 I63 T67 L95 F98L47-I69 HydrophobicContact CD2-CB 4.49Å; L47-I69 HydrophobicContact CD2-CG1 4.28Å; I63-I69 HydrophobicContact CD1-CD1 4.46Å; I63-I69 HydrophobicContact CG1-CD1 4.27Å; I63-I69 HydrophobicContact CG1-CG1 4.19Å; I63-I69 HydrophobicContact CG2-CD1 4.03Å; T67-I69 PolarHBondContact O-N 3.44Å; I69-L95 HydrophobicContact CG2-CD2 3.81Å; I69-F98 HydrophobicContact CD1-CB 3.29Å; I69-F98 VanDerWaalsContact CD1-O 3.24Å; I69-F98 WeakPolarHBondContact CD1-O 3.44Å
70N97.8Very high96.8Very high38 Ų3841.5 Ų41.520%0.20322%0.217CC..THydrogen-bonded Turntrans-98.87.3-168.6-73.9-44.8000113D68 Q72 G99 S101 F104D68-N70 PolarHBondContact O-N 2.84Å; D68-N70 PolarHBondContact OD1-N 3.02Å; N70-Q72 PolarHBondContact O-N 3.17Å; N70-G99 PolarHBondContact ND2-O 3.11Å; N70-S101 PolarHBondContact OD1-N 2.87Å; N70-F104 HydrophobicContact CB-CD2 4.31Å; N70-F104 HydrophobicContact CB-CE2 3.44Å; N70-F104 VanDerWaalsContact CB-CE2 3.44Å; N70-F104 HydrophobicContact CB-CZ 3.77Å
71L97.7Very high96.8Very high22 Ų2238.1 Ų38.112%0.11521%0.205CC..  trans-56.5138.7174.7-68.2175.7000111.6D37 T45 M48 D68D37-L71 HydrophobicContact CB-CD1 4.15Å; T45-L71 HydrophobicContact CG2-CB 4.21Å; T45-L71 HydrophobicContact CG2-CD1 3.78Å; M48-L71 HydrophobicContact CE-CB 4.32Å; M48-L71 WeakPolarHBondContact CE-O 3.2Å; D68-L71 HydrophobicContact CB-CD1 3.94Å; D68-L71 HydrophobicContact CB-CD2 4.07Å; D68-L71 HydrophobicContact CB-CG 3.66Å; D68-L71 VanDerWaalsContact O-CG 3.32Å; D68-L71 WeakPolarHBondContact O-CG 3.44Å; D68-L71 PolarHBondContact O-N 3.39Å; D68-L71 WeakPolarHBondContact OD2-CD2 3.19Å
72Q97.4Very high96.9Very high84 Ų8437.8 Ų37.839%0.39320%0.203SC..  trans-106.7136.5174.8-67-177.4-69.600110N70 G76 S77 T78 F104 Q105N70-Q72 PolarHBondContact O-N 3.17Å; Q72-G76 WeakPolarHBondContact CG-O 3.44Å; Q72-G76 PolarHBondContact NE2-O 3.37Å; Q72-S77 WeakPolarHBondContact CA-O 3.49Å; Q72-T78 HydrophobicContact CG-CG2 3.74Å; Q72-F104 VanDerWaalsContact CD-CD1 3.47Å; Q72-F104 HydrophobicContact CG-CD1 3.92Å; Q72-F104 HydrophobicContact CG-CG 4.41Å; Q72-Q105 PolarHBondContact NE2-O 3Å
73R96.6Very high96.9Very high64 Ų6437.8 Ų37.824%0.24220%0.203CC..  trans-76.1178.4166.679.1178.6-164.499.1-1.4110.2F42 M48 T75 G76 S77F42-R73 WeakPolarHBondContact O-CB 3.35Å; M48-R73 HydrophobicContact CE-CB 4.18Å; M48-R73 HydrophobicContact SD-CB 3.95Å; R73-T75 VanDerWaalsContact CZ-CG2 3.46Å; R73-T75 PolarHBondContact NE-OG1 3.29Å; R73-T75 PolarHBondContact NH2-OG1 2.71Å; R73-T75 PolarHBondContact O-N 3.2Å; R73-G76 PolarHBondContact O-N 2.72Å; R73-S77 PolarHBondContact N-O 2.87Å
74E96.9Very high97Very high101 Ų10137.1 Ų37.147%0.47220%0.2SC..THydrogen-bonded Turntrans-55.5-24-178.1-75-177.4172.800115.4F42 G76 K107F42-E74 WeakPolarHBondContact O-CB 3.49Å; F42-E74 WeakPolarHBondContact O-CG 3.45Å; F42-E74 PolarHBondContact O-N 3.37Å; E74-G76 VanDerWaalsContact C-N 3.34Å; E74-K107 WeakPolarHBondContact O-CD 3.16Å; E74-K107 WeakPolarHBondContact O-CE 3.25Å; E74-K107 PolarHBondContact O-NZ 3.38Å
75T96.9Very high97.2Very high44 Ų4433.4 Ų33.427%0.2718%0.182SC..THydrogen-bonded Turntrans-87.70.7175.8630000114.1R73 S77 T106 K107R73-T75 VanDerWaalsContact CZ-CG2 3.46Å; R73-T75 PolarHBondContact NE-OG1 3.29Å; R73-T75 PolarHBondContact NH2-OG1 2.71Å; R73-T75 PolarHBondContact O-N 3.2Å; T75-S77 VanDerWaalsContact C-N 3.31Å; T75-S77 PolarHBondContact OG1-OG 3.01Å; T75-T106 CarbonylContact O-C 3.39Å; T75-T106 WeakPolarHBondContact O-CA 3.44Å; T75-T106 WeakPolarHBondContact O-CB 3.35Å; T75-K107 PolarHBondContact O-N 2.94Å
76G97.4Very high97.4Very high11 Ų1132.8 Ų32.811%0.11318%0.178CC..SBendtrans83.1-0.3-173.100000114.4Q72 R73 E74Q72-G76 WeakPolarHBondContact CG-O 3.44Å; Q72-G76 PolarHBondContact NE2-O 3.37Å; R73-G76 PolarHBondContact O-N 2.72Å; E74-G76 VanDerWaalsContact C-N 3.34Å
77S98.1Very high97.7Very high6 Ų631 Ų314%0.04216%0.161CC..  trans-75.3136.6-179.5-48.70000111.5M48 Q72 R73 T75 T106M48-S77 WeakPolarHBondContact CE-O 3.25Å; Q72-S77 WeakPolarHBondContact CA-O 3.49Å; R73-S77 PolarHBondContact N-O 2.87Å; T75-S77 VanDerWaalsContact C-N 3.31Å; T75-S77 PolarHBondContact OG1-OG 3.01Å; S77-T106 WeakPolarHBondContact OG-CG2 3.43Å
78T98.4Very high98Very high5 Ų533.4 Ų33.43%0.03117%0.171CC..  trans-102.6175.5175.563.10000112Q72 L80 F81 F82 F104Q72-T78 HydrophobicContact CG-CG2 3.74Å; T78-L80 VanDerWaalsContact C-N 3.27Å; T78-L80 PolarHBondContact O-N 3.08Å; T78-L80 PolarHBondContact OG1-N 3.37Å; T78-F81 WeakPolarHBondContact O-CB 3.49Å; T78-F81 PolarHBondContact O-N 3.45Å; T78-F81 PolarHBondContact OG1-N 3.25Å; T78-F82 VanDerWaalsContact O-CD2 3.26Å; T78-F82 WeakPolarHBondContact O-CD2 3.41Å; T78-F82 PolarHBondContact O-N 3.1Å; T78-F104 HydrophobicContact CG2-CB 3.65Å; T78-F104 HydrophobicContact CG2-CD2 4.12Å; T78-F104 HydrophobicContact CG2-CG 3.88Å
79A98.5Very high98.1Very high1 Ų130.5 Ų30.51%0.00816%0.156CC..Hα-helixtrans-57.6-41169.200000112.2L47 M48 S51 F81 F82 A83 L95L47-A79 HydrophobicContact CD2-CB 4.08Å; L47-A79 HydrophobicContact CG-CB 3.81Å; M48-A79 HydrophobicContact CG-CB 4.32Å; S51-A79 WeakPolarHBondContact CB-O 3.36Å; A79-F81 VanDerWaalsContact C-N 3.35Å; A79-F81 PolarHBondContact O-N 3.27Å; A79-F82 PolarHBondContact O-N 3.22Å; A79-A83 PolarHBondContact O-N 2.96Å; A79-L95 HydrophobicContact CB-CD1 4.23Å; A79-L95 HydrophobicContact CB-CD2 4.05Å
80L98.8Very high98.2Very high3 Ų334.7 Ų34.72%0.01618%0.175CC..Hα-helixtrans-62-41.5176.8-177.465000111.8T78 F82 S84 V92 L95 F96 S101 A112 L128T78-L80 VanDerWaalsContact C-N 3.27Å; T78-L80 PolarHBondContact O-N 3.08Å; T78-L80 PolarHBondContact OG1-N 3.37Å; L80-F82 PolarHBondContact O-N 3.27Å; L80-S84 WeakPolarHBondContact O-CB 3.26Å; L80-S84 PolarHBondContact O-N 3.2Å; L80-S84 PolarHBondContact O-OG 3.41Å; L80-V92 HydrophobicContact CD1-CB 4.38Å; L80-V92 HydrophobicContact CD1-CG1 3.87Å; L80-V92 HydrophobicContact CD1-CG2 4.32Å; L80-L95 HydrophobicContact CB-CD1 4.17Å; L80-L95 HydrophobicContact CD1-CB 4.37Å; L80-L95 HydrophobicContact CD1-CD1 4.21Å; L80-F96 HydrophobicContact CD1-CE2 4.14Å; L80-F96 HydrophobicContact CD1-CZ 4.14Å; L80-F96 HydrophobicContact CD2-CE1 4.02Å; L80-F96 HydrophobicContact CD2-CZ 3.91Å; L80-S101 WeakPolarHBondContact CD2-O 2.92Å; L80-A112 HydrophobicContact CD2-CB 4.08Å; L80-A112 HydrophobicContact CG-CB 3.82Å; L80-L128 HydrophobicContact CD1-CD2 4.11Å; L80-L128 HydrophobicContact CD2-CD2 4.26Å; L80-L128 HydrophobicContact CG-CD2 4.33Å
81F98.8Very high98.2Very high26 Ų2633 Ų3311%0.11417%0.166CC..Hα-helixtrans-57.4-49.5175.1-175.6-84.3000111.1T78 A79 S84 Q85 T106 T111 A115T78-F81 WeakPolarHBondContact O-CB 3.49Å; T78-F81 PolarHBondContact O-N 3.45Å; T78-F81 PolarHBondContact OG1-N 3.25Å; A79-F81 VanDerWaalsContact C-N 3.35Å; A79-F81 PolarHBondContact O-N 3.27Å; F81-S84 PolarHBondContact O-N 3.46Å; F81-Q85 WeakPolarHBondContact O-CB 3.4Å; F81-Q85 PolarHBondContact O-N 3.26Å; F81-T106 HydrophobicContact CD2-CG2 3.82Å; F81-T106 HydrophobicContact CE1-CG2 4.39Å; F81-T106 HydrophobicContact CE2-CG2 3.53Å; F81-T106 HydrophobicContact CG-CG2 4.37Å; F81-T106 HydrophobicContact CZ-CG2 3.85Å; F81-T111 WeakPolarHBondContact CE2-O 3.24Å; F81-A115 HydrophobicContact CD2-CB 4.33Å; F81-A115 HydrophobicContact CE1-CB 4.37Å; F81-A115 HydrophobicContact CE2-CB 3.87Å; F81-A115 HydrophobicContact CZ-CB 3.9Å
82F98.7Very high98.3Very high24 Ų2432 Ų3211%0.10516%0.16CC..Hα-helixtrans-68.5-42.7-178.4-72.6-58.1000113.9M48 Y52 T78 A79 L80 S84 Q85 Q86M48-F82 HydrophobicContact CB-CD2 3.78Å; M48-F82 HydrophobicContact CB-CE2 3.96Å; M48-F82 HydrophobicContact CG-CD2 4.02Å; M48-F82 HydrophobicContact CG-CE2 4.12Å; M48-F82 HydrophobicContact SD-CE2 4.11Å; Y52-F82 HydrophobicContact CD2-CB 4.33Å; Y52-F82 AromaticContact CD2-CD1 3.7Å; Y52-F82 HydrophobicContact CD2-CD1 3.7Å; Y52-F82 HydrophobicContact CD2-CE1 4.33Å; Y52-F82 HydrophobicContact CD2-CG 4.29Å; Y52-F82 HydrophobicContact CE2-CD1 4.46Å; T78-F82 VanDerWaalsContact O-CD2 3.26Å; T78-F82 WeakPolarHBondContact O-CD2 3.41Å; T78-F82 PolarHBondContact O-N 3.1Å; A79-F82 PolarHBondContact O-N 3.22Å; L80-F82 PolarHBondContact O-N 3.27Å; F82-S84 PolarHBondContact O-N 3.28Å; F82-Q85 PolarHBondContact O-N 3.23Å; F82-Q86 WeakPolarHBondContact O-CG 3.36Å; F82-Q86 PolarHBondContact O-N 3.44Å; F82-Q86 VanDerWaalsContact O-N 3.16Å
83A98.8Very high98.3Very high0 Ų031.6 Ų31.60%016%0.157CC..Hα-helixtrans-59.9-38.3174.100000111.1S51 A79 Q86 G87 H88 V91 V92 L95S51-A83 WeakPolarHBondContact O-CA 3.45Å; A79-A83 PolarHBondContact O-N 2.96Å; A83-Q86 PolarHBondContact O-N 3.48Å; A83-G87 PolarHBondContact O-N 3.21Å; A83-G87 VanDerWaalsContact O-N 3.08Å; A83-H88 PolarHBondContact O-N 2.9Å; A83-V91 HydrophobicContact CB-CB 4.16Å; A83-V91 HydrophobicContact CB-CG1 3.96Å; A83-V92 HydrophobicContact CB-CG2 3.72Å; A83-L95 HydrophobicContact CB-CD1 4.11Å
84S98.8Very high98.4Very high0 Ų028.6 Ų28.60%015%0.146CC..Hα-helixtrans-71.3-40.9179.6-60.40000112.6L80 F81 F82 Q86 G87 A112 H121L80-S84 WeakPolarHBondContact O-CB 3.26Å; L80-S84 PolarHBondContact O-N 3.2Å; L80-S84 PolarHBondContact O-OG 3.41Å; F81-S84 PolarHBondContact O-N 3.46Å; F82-S84 PolarHBondContact O-N 3.28Å; S84-Q86 PolarHBondContact O-N 3.16Å; S84-G87 PolarHBondContact O-N 3.18Å; S84-A112 WeakPolarHBondContact CB-O 3.38Å; S84-H121 PolarHBondContact O-CD2 3.49Å; S84-H121 VanDerWaalsContact O-CD2 3.31Å
85Q98.6Very high98.5Very high33 Ų3323.8 Ų23.815%0.15412%0.124CC..Hα-helixtrans-60-34175.7-165-167.9-80.500112.6F81 F82 A115 Y119 H121F81-Q85 WeakPolarHBondContact O-CB 3.4Å; F81-Q85 PolarHBondContact O-N 3.26Å; F82-Q85 PolarHBondContact O-N 3.23Å; Q85-A115 HydrophobicContact CB-CB 4.14Å; Q85-A115 HydrophobicContact CG-CB 4.39Å; Q85-Y119 HydrophobicContact CG-CD2 3.55Å; Q85-Y119 HydrophobicContact CG-CE2 3.28Å; Q85-H121 PolarHBondContact O-CD2 3.3Å; Q85-H121 PolarHBondContact O-NE2 3.08Å; Q85-H121 VanDerWaalsContact O-NE2 3.11Å
86Q98.6Very high98.6Very high62 Ų6223 Ų2329%0.2912%0.117SC..THydrogen-bonded Turntrans-98.9-1.1-177.2-60.4-62.8-18.800113.6Y52 F82 A83 S84 H88Y52-Q86 HydrophobicContact CD2-CG 3.91Å; Y52-Q86 HydrophobicContact CE2-CG 4.06Å; Y52-Q86 HydrophobicContact CG-CG 4.29Å; Y52-Q86 VanDerWaalsContact CZ-NE2 3.26Å; Y52-Q86 WeakPolarHBondContact O-CG 3.4Å; Y52-Q86 PolarHBondContact OH-NE2 3.23Å; F82-Q86 WeakPolarHBondContact O-CG 3.36Å; F82-Q86 PolarHBondContact O-N 3.44Å; F82-Q86 VanDerWaalsContact O-N 3.16Å; A83-Q86 PolarHBondContact O-N 3.48Å; S84-Q86 PolarHBondContact O-N 3.16Å; Q86-H88 VanDerWaalsContact C-N 3.34Å; Q86-H88 VanDerWaalsContact CB-CD2 3.46Å; Q86-H88 WeakPolarHBondContact CB-CD2 3.28Å; Q86-H88 WeakPolarHBondContact CB-NE2 3.35Å; Q86-H88 PolarHBondContact O-N 3.24Å
87G98.4Very high98.6Very high24 Ų2428.7 Ų28.725%0.24714%0.14CC..THydrogen-bonded Turntrans76.817.8175.400000114.7A83 S84 N89 H121A83-G87 PolarHBondContact O-N 3.21Å; A83-G87 VanDerWaalsContact O-N 3.08Å; S84-G87 PolarHBondContact O-N 3.18Å; G87-N89 VanDerWaalsContact C-N 3.26Å; G87-N89 PolarHBondContact O-N 3.4Å; G87-H121 WeakPolarHBondContact CA-CD2 3.41Å; G87-H121 PolarHBondContact N-CD2 3.47Å; G87-H121 PolarHBondContact N-NE2 3.31Å
88H98.8Very high98.6Very high60 Ų6032.7 Ų32.728%0.27816%0.157SC..  trans-79.871.9-177.7-62.5-41.9000111.7S51 Y52 G54 A83 Q86 E90 V91 V92S51-H88 PolarHBondContact O-CD2 3.37Å; S51-H88 VanDerWaalsContact O-CD2 3.31Å; Y52-H88 PolarHBondContact O-NE2 3.02Å; G54-H88 WeakPolarHBondContact CA-CD2 3.32Å; G54-H88 VanDerWaalsContact CA-CG 3.41Å; G54-H88 WeakPolarHBondContact CA-NE2 3.49Å; G54-H88 PolarHBondContact N-CD2 3.09Å; G54-H88 PolarHBondContact N-NE2 2.84Å; A83-H88 PolarHBondContact O-N 2.9Å; Q86-H88 VanDerWaalsContact C-N 3.34Å; Q86-H88 VanDerWaalsContact CB-CD2 3.46Å; Q86-H88 WeakPolarHBondContact CB-CD2 3.28Å; Q86-H88 WeakPolarHBondContact CB-NE2 3.35Å; Q86-H88 PolarHBondContact O-N 3.24Å; H88-E90 VanDerWaalsContact C-N 3.29Å; H88-E90 PolarHBondContact O-N 3.17Å; H88-V91 HydrophobicContact CB-CB 4.2Å; H88-V91 HydrophobicContact CB-CG2 4.14Å; H88-V91 WeakPolarHBondContact O-CB 3.48Å; H88-V91 PolarHBondContact O-N 2.8Å; H88-V92 PolarHBondContact O-N 2.81Å
89N98.7Very high98.5Very high17 Ų1734.7 Ų34.79%0.09118%0.178CC..Hα-helixtrans-56.8-35.7-172.2-169.772.7000114.8G87 V91 V92 K93 K123 V124 T127G87-N89 VanDerWaalsContact C-N 3.26Å; G87-N89 PolarHBondContact O-N 3.4Å; N89-V91 VanDerWaalsContact C-N 3.34Å; N89-V92 WeakPolarHBondContact O-CB 3.44Å; N89-V92 PolarHBondContact O-N 3.48Å; N89-K93 VanDerWaalsContact ND2-CE 3.28Å; N89-K93 WeakPolarHBondContact ND2-CE 3.48Å; N89-K93 WeakPolarHBondContact O-CG 3.49Å; N89-K93 PolarHBondContact O-N 3.09Å; N89-K123 HydrophobicContact CB-CB 4.32Å; N89-K123 PolarHBondContact OD1-O 3.34Å; N89-V124 HydrophobicContact CB-CG2 3.96Å; N89-V124 WeakPolarHBondContact OD1-CA 3.32Å; N89-V124 PolarHBondContact OD1-N 2.9Å; N89-T127 PolarHBondContact OD1-OG1 3.31Å
90E98.8Very high98.4Very high103 Ų10335 Ų3548%0.48118%0.182SC..Hα-helixtrans-71.2-31.5178.2-56.7-47.9118.300112Y56 H88 K93 L94Y56-E90 HydrophobicContact CD2-CB 4.18Å; H88-E90 VanDerWaalsContact C-N 3.29Å; H88-E90 PolarHBondContact O-N 3.17Å; E90-K93 IonicContact OE1-NZ 2.82Å; E90-K93 PolarHBondContact OE1-NZ 3.17Å; E90-K93 IonicContact OE2-NZ 3.06Å; E90-K93 PolarHBondContact OE2-NZ 3.44Å; E90-L94 WeakPolarHBondContact O-CB 3.46Å; E90-L94 PolarHBondContact O-N 3.04Å; E90-L94 VanDerWaalsContact O-N 3.09Å
91V98.8Very high98.4Very high3 Ų336.5 Ų36.52%0.01819%0.193CC..Hα-helixtrans-70.9-39.5170.4-177.50000110.5A59 A83 H88 N89 K93 L94 L95A59-V91 HydrophobicContact CB-CG1 4.21Å; A83-V91 HydrophobicContact CB-CB 4.16Å; A83-V91 HydrophobicContact CB-CG1 3.96Å; H88-V91 HydrophobicContact CB-CB 4.2Å; H88-V91 HydrophobicContact CB-CG2 4.14Å; H88-V91 WeakPolarHBondContact O-CB 3.48Å; H88-V91 PolarHBondContact O-N 2.8Å; N89-V91 VanDerWaalsContact C-N 3.34Å; V91-K93 PolarHBondContact O-N 3.38Å; V91-L94 WeakPolarHBondContact O-CB 3.33Å; V91-L94 PolarHBondContact O-N 2.88Å; V91-L95 HydrophobicContact CG1-CD1 4.03Å; V91-L95 HydrophobicContact CG1-CG 4.25Å; V91-L95 VanDerWaalsContact O-CG 3.25Å; V91-L95 WeakPolarHBondContact O-CG 3.49Å; V91-L95 PolarHBondContact O-N 2.91Å
92V98.9Very high98.3Very high0 Ų036 Ų360%019%0.191CC..Hα-helixtrans-58.6-46.6175.3170.20000111.4L80 A83 H88 N89 L95 F96 V124 T127 L128L80-V92 HydrophobicContact CD1-CB 4.38Å; L80-V92 HydrophobicContact CD1-CG1 3.87Å; L80-V92 HydrophobicContact CD1-CG2 4.32Å; A83-V92 HydrophobicContact CB-CG2 3.72Å; H88-V92 PolarHBondContact O-N 2.81Å; N89-V92 WeakPolarHBondContact O-CB 3.44Å; N89-V92 PolarHBondContact O-N 3.48Å; V92-L95 PolarHBondContact O-N 3.01Å; V92-F96 HydrophobicContact CG1-CD2 3.9Å; V92-F96 HydrophobicContact CG1-CE2 3.62Å; V92-F96 VanDerWaalsContact O-CD2 3.24Å; V92-F96 WeakPolarHBondContact O-CD2 3.39Å; V92-F96 PolarHBondContact O-N 3.48Å; V92-F96 VanDerWaalsContact O-N 3.11Å; V92-V124 HydrophobicContact CG2-CG1 4.13Å; V92-V124 HydrophobicContact CG2-CG2 4.24Å; V92-T127 HydrophobicContact CG1-CG2 3.93Å; V92-L128 HydrophobicContact CG1-CD2 4.28Å
93K98.8Very high98.2Very high76 Ų7640.9 Ų40.933%0.3322%0.215SC..Hα-helixtrans-59.6-47.3174.8-72.2172.8-178.6161.10111.9N89 E90 V91 L95 F96 E97 T127N89-K93 VanDerWaalsContact ND2-CE 3.28Å; N89-K93 WeakPolarHBondContact ND2-CE 3.48Å; N89-K93 WeakPolarHBondContact O-CG 3.49Å; N89-K93 PolarHBondContact O-N 3.09Å; E90-K93 IonicContact OE1-NZ 2.82Å; E90-K93 PolarHBondContact OE1-NZ 3.17Å; E90-K93 IonicContact OE2-NZ 3.06Å; E90-K93 PolarHBondContact OE2-NZ 3.44Å; V91-K93 PolarHBondContact O-N 3.38Å; K93-L95 VanDerWaalsContact C-N 3.31Å; K93-L95 PolarHBondContact O-N 3.16Å; K93-F96 WeakPolarHBondContact O-CB 3.44Å; K93-F96 PolarHBondContact O-N 2.99Å; K93-F96 VanDerWaalsContact O-N 3.12Å; K93-E97 WeakPolarHBondContact O-CG 3.33Å; K93-E97 PolarHBondContact O-N 2.93Å; K93-T127 HydrophobicContact CG-CG2 3.99Å
94L98.6Very high98.1Very high1 Ų144.1 Ų44.11%0.00523%0.229CC..Hα-helixtrans-56.6-46.1176.7177.470.4000111.4Y56 A59 R60 I63 E90 V91 F96 E97 F98Y56-L94 HydrophobicContact CD2-CB 4.37Å; Y56-L94 HydrophobicContact CD2-CD2 4.12Å; Y56-L94 HydrophobicContact CE2-CB 3.83Å; Y56-L94 HydrophobicContact CE2-CD1 4.25Å; Y56-L94 HydrophobicContact CE2-CD2 3.95Å; Y56-L94 HydrophobicContact CE2-CG 4.24Å; A59-L94 HydrophobicContact CB-CD2 4.03Å; R60-L94 HydrophobicContact CB-CD1 4.34Å; R60-L94 HydrophobicContact CB-CD2 3.88Å; R60-L94 HydrophobicContact CG-CD1 4.23Å; I63-L94 HydrophobicContact CD1-CD2 3.98Å; I63-L94 HydrophobicContact CD1-CG 3.9Å; E90-L94 WeakPolarHBondContact O-CB 3.46Å; E90-L94 PolarHBondContact O-N 3.04Å; E90-L94 VanDerWaalsContact O-N 3.09Å; V91-L94 WeakPolarHBondContact O-CB 3.33Å; V91-L94 PolarHBondContact O-N 2.88Å; L94-F96 VanDerWaalsContact C-N 3.27Å; L94-F96 PolarHBondContact O-N 3.07Å; L94-E97 WeakPolarHBondContact O-CB 3.16Å; L94-E97 PolarHBondContact O-N 2.78Å; L94-F98 HydrophobicContact CD1-CD2 3.95Å; L94-F98 HydrophobicContact CD1-CE2 3.67Å; L94-F98 WeakPolarHBondContact O-CD2 3.49Å; L94-F98 PolarHBondContact O-N 2.81Å
95L98.6Very high98.1Very high0 Ų048.2 Ų48.20%025%0.248CC..Hα-helixtrans-60.5-39.8178.6-67.7167000111.1L47 I63 I69 A79 L80 A83 V91 V92 K93 F98 G99 G100L47-L95 HydrophobicContact CD1-CD2 4.32Å; L47-L95 HydrophobicContact CD2-CD2 4.16Å; L47-L95 HydrophobicContact CG-CD2 4.43Å; I63-L95 HydrophobicContact CD1-CD2 4.08Å; I69-L95 HydrophobicContact CG2-CD2 3.81Å; A79-L95 HydrophobicContact CB-CD1 4.23Å; A79-L95 HydrophobicContact CB-CD2 4.05Å; L80-L95 HydrophobicContact CB-CD1 4.17Å; L80-L95 HydrophobicContact CD1-CB 4.37Å; L80-L95 HydrophobicContact CD1-CD1 4.21Å; A83-L95 HydrophobicContact CB-CD1 4.11Å; V91-L95 HydrophobicContact CG1-CD1 4.03Å; V91-L95 HydrophobicContact CG1-CG 4.25Å; V91-L95 VanDerWaalsContact O-CG 3.25Å; V91-L95 WeakPolarHBondContact O-CG 3.49Å; V91-L95 PolarHBondContact O-N 2.91Å; V92-L95 PolarHBondContact O-N 3.01Å; K93-L95 VanDerWaalsContact C-N 3.31Å; K93-L95 PolarHBondContact O-N 3.16Å; L95-F98 PolarHBondContact O-N 3.11Å; L95-G99 PolarHBondContact O-N 3Å; L95-G100 WeakPolarHBondContact O-CA 3.12Å; L95-G100 PolarHBondContact O-N 3.05Å
96F98.6Very high98Very high28 Ų2847.2 Ų47.212%0.12324%0.244CC..Hα-helixtrans-67.3-40.1174.8-76.5-54.3000113.9L80 V92 K93 L94 F98 G99 G100 T102 T127 L128 N131L80-F96 HydrophobicContact CD1-CE2 4.14Å; L80-F96 HydrophobicContact CD1-CZ 4.14Å; L80-F96 HydrophobicContact CD2-CE1 4.02Å; L80-F96 HydrophobicContact CD2-CZ 3.91Å; V92-F96 HydrophobicContact CG1-CD2 3.9Å; V92-F96 HydrophobicContact CG1-CE2 3.62Å; V92-F96 VanDerWaalsContact O-CD2 3.24Å; V92-F96 WeakPolarHBondContact O-CD2 3.39Å; V92-F96 PolarHBondContact O-N 3.48Å; V92-F96 VanDerWaalsContact O-N 3.11Å; K93-F96 WeakPolarHBondContact O-CB 3.44Å; K93-F96 PolarHBondContact O-N 2.99Å; K93-F96 VanDerWaalsContact O-N 3.12Å; L94-F96 VanDerWaalsContact C-N 3.27Å; L94-F96 PolarHBondContact O-N 3.07Å; F96-F98 PolarHBondContact O-N 2.83Å; F96-F98 VanDerWaalsContact O-N 3.09Å; F96-G99 PolarHBondContact O-N 2.96Å; F96-G100 VanDerWaalsContact CD1-O 3.25Å; F96-G100 WeakPolarHBondContact CD1-O 3.34Å; F96-G100 WeakPolarHBondContact CE1-O 3.48Å; F96-T102 HydrophobicContact CE1-CG2 3.76Å; F96-T102 HydrophobicContact CZ-CG2 3.72Å; F96-T127 HydrophobicContact CD2-CG2 4.07Å; F96-T127 HydrophobicContact CE2-CG2 4.17Å; F96-L128 HydrophobicContact CE2-CD2 3.8Å; F96-L128 HydrophobicContact CZ-CD2 3.64Å; F96-N131 HydrophobicContact CD1-CB 3.81Å; F96-N131 HydrophobicContact CD2-CB 4.03Å; F96-N131 HydrophobicContact CE1-CB 3.61Å; F96-N131 HydrophobicContact CE2-CB 3.8Å; F96-N131 HydrophobicContact CG-CB 4.03Å; F96-N131 HydrophobicContact CZ-CB 3.58Å
97E97.9Very high98Very high131 Ų13151.4 Ų51.461%0.61226%0.261SS*.Hα-helixtrans-54.8-29.7176.8-74.3168.4-168.500112.4K93 L94K93-E97 WeakPolarHBondContact O-CG 3.33Å; K93-E97 PolarHBondContact O-N 2.93Å; L94-E97 WeakPolarHBondContact O-CB 3.16Å; L94-E97 PolarHBondContact O-N 2.78Å
98F97.5Very high97.9Very high90 Ų9054.4 Ų54.440%0.39527%0.272SS..THydrogen-bonded Turntrans-107.412-179.5-68.3-92.1000114.4I63 M64 I69 L94 L95 F96I63-F98 HydrophobicContact CG2-CB 3.73Å; I63-F98 HydrophobicContact CG2-CD1 3.54Å; I63-F98 HydrophobicContact CG2-CD2 3.93Å; I63-F98 HydrophobicContact CG2-CE1 4.15Å; I63-F98 HydrophobicContact CG2-CG 3.44Å; I63-F98 VanDerWaalsContact CG2-CG 3.44Å; M64-F98 HydrophobicContact CE-CE1 3.58Å; M64-F98 HydrophobicContact CE-CE2 4.18Å; M64-F98 HydrophobicContact CE-CZ 3.22Å; M64-F98 HydrophobicContact SD-CE1 4.49Å; I69-F98 HydrophobicContact CD1-CB 3.29Å; I69-F98 VanDerWaalsContact CD1-O 3.24Å; I69-F98 WeakPolarHBondContact CD1-O 3.44Å; L94-F98 HydrophobicContact CD1-CD2 3.95Å; L94-F98 HydrophobicContact CD1-CE2 3.67Å; L94-F98 WeakPolarHBondContact O-CD2 3.49Å; L94-F98 PolarHBondContact O-N 2.81Å; L95-F98 PolarHBondContact O-N 3.11Å; F96-F98 PolarHBondContact O-N 2.83Å; F96-F98 VanDerWaalsContact O-N 3.09Å
99G96.3Very high97.9Very high46 Ų4651.6 Ų51.647%0.47426%0.259SS..THydrogen-bonded Turntrans95.926.4171.700000115.9N70 L95 F96 S101N70-G99 PolarHBondContact ND2-O 3.11Å; L95-G99 PolarHBondContact O-N 3Å; F96-G99 PolarHBondContact O-N 2.96Å; G99-S101 PolarHBondContact O-N 2.74Å
100G97.2Very high97.8Very high8 Ų850.9 Ų50.98%0.08226%0.255CS..  trans-60.3130167.700000111.4L95 F96L95-G100 WeakPolarHBondContact O-CA 3.12Å; L95-G100 PolarHBondContact O-N 3.05Å; F96-G100 VanDerWaalsContact CD1-O 3.25Å; F96-G100 WeakPolarHBondContact CD1-O 3.34Å; F96-G100 WeakPolarHBondContact CE1-O 3.48Å
101S97.8Very high97.8Very high35 Ų3546 Ų4625%0.24523%0.233CC..  trans-99.2142.3-176.61770000112.5N70 L80 G99 E103N70-S101 PolarHBondContact OD1-N 2.87Å; L80-S101 WeakPolarHBondContact CD2-O 2.92Å; G99-S101 PolarHBondContact O-N 2.74Å; S101-E103 VanDerWaalsContact C-N 3.34Å; S101-E103 PolarHBondContact OG-N 3.41Å
102T97.2Very high97.8Very high14 Ų1446.1 Ų46.19%0.08623%0.234CC..SBendtrans-80.7-13173.448.20000113.9F96 F104 A133F96-T102 HydrophobicContact CE1-CG2 3.76Å; F96-T102 HydrophobicContact CZ-CG2 3.72Å; T102-F104 VanDerWaalsContact C-N 3.31Å; T102-F104 PolarHBondContact O-N 3.03Å; T102-A133 HydrophobicContact CG2-CB 3.8Å
103E95.9Very high97.8Very high128 Ų12846.2 Ų46.260%0.59823%0.234SC*.  trans-79.3-11.3-168.3-55.9-53.4107.900113.9S101S101-E103 VanDerWaalsContact C-N 3.34Å; S101-E103 PolarHBondContact OG-N 3.41Å
104F97.6Very high97.8Very high67 Ų6743 Ų4329%0.29422%0.221SC..  trans-77.6131.7-177.3-69-74.9000112.1N70 Q72 T78 T102N70-F104 HydrophobicContact CB-CD2 4.31Å; N70-F104 HydrophobicContact CB-CE2 3.44Å; N70-F104 VanDerWaalsContact CB-CE2 3.44Å; N70-F104 HydrophobicContact CB-CZ 3.77Å; Q72-F104 VanDerWaalsContact CD-CD1 3.47Å; Q72-F104 HydrophobicContact CG-CD1 3.92Å; Q72-F104 HydrophobicContact CG-CG 4.41Å; T78-F104 HydrophobicContact CG2-CB 3.65Å; T78-F104 HydrophobicContact CG2-CD2 4.12Å; T78-F104 HydrophobicContact CG2-CG 3.88Å; T102-F104 VanDerWaalsContact C-N 3.31Å; T102-F104 PolarHBondContact O-N 3.03Å
105Q97.7Very high97.8Very high87 Ų8743 Ų4341%0.40722%0.222SC..  trans-114.9145.6-179.6-71.7174.6-1100111.8Q72 G110 T111Q72-Q105 PolarHBondContact NE2-O 3Å; Q105-G110 CarbonylContact C-O 3.43Å; Q105-G110 VanDerWaalsContact CA-O 3.28Å; Q105-G110 WeakPolarHBondContact CA-O 3.41Å; Q105-T111 HydrophobicContact CG-CG2 3.7Å
106T98.3Very high97.8Very high11 Ų1143 Ų437%0.06722%0.222CC..  trans-73.2167.6166.456.30000110.9T75 S77 F81 D108 G109 G110T75-T106 CarbonylContact O-C 3.39Å; T75-T106 WeakPolarHBondContact O-CA 3.44Å; T75-T106 WeakPolarHBondContact O-CB 3.35Å; S77-T106 WeakPolarHBondContact OG-CG2 3.43Å; F81-T106 HydrophobicContact CD2-CG2 3.82Å; F81-T106 HydrophobicContact CE1-CG2 4.39Å; F81-T106 HydrophobicContact CE2-CG2 3.53Å; F81-T106 HydrophobicContact CG-CG2 4.37Å; F81-T106 HydrophobicContact CZ-CG2 3.85Å; T106-D108 WeakPolarHBondContact CB-OD1 3.43Å; T106-D108 PolarHBondContact O-N 2.93Å; T106-D108 PolarHBondContact OG1-OD1 2.89Å; T106-G109 PolarHBondContact O-N 3.42Å; T106-G110 PolarHBondContact N-O 3.11Å; T106-G110 WeakPolarHBondContact OG1-CA 3.46Å; T106-G110 PolarHBondContact OG1-N 3.08Å; T106-G110 PolarHBondContact OG1-O 3.34Å
107K97.8Very high97.8Very high151 Ų15141.7 Ų41.766%0.65722%0.216SC*.THydrogen-bonded Turntrans-60.5-16.5-179.5-80-177.2168162.20114.8E74 T75 H140E74-K107 WeakPolarHBondContact O-CD 3.16Å; E74-K107 WeakPolarHBondContact O-CE 3.25Å; E74-K107 PolarHBondContact O-NZ 3.38Å; T75-K107 PolarHBondContact O-N 2.94Å; K107-H140 PolarHBondContact O-CE1 2.88Å; K107-H140 PolarHBondContact O-ND1 3.5Å
108D96.8Very high97.8Very high87 Ų8738.4 Ų38.447%0.46520%0.201SC..THydrogen-bonded Turntrans-101.28.3174.560.2-37000113T106 L139 H140T106-D108 WeakPolarHBondContact CB-OD1 3.43Å; T106-D108 PolarHBondContact O-N 2.93Å; T106-D108 PolarHBondContact OG1-OD1 2.89Å; D108-L139 CarbonylContact O-C 3.44Å; D108-L139 VanDerWaalsContact O-CA 3.25Å; D108-L139 WeakPolarHBondContact O-CA 3.49Å; D108-L139 WeakPolarHBondContact O-CB 3.43Å; D108-H140 PolarHBondContact O-N 2.92Å
109G97.5Very high97.9Very high1 Ų139.6 Ų39.61%0.0120%0.204CC..SBendtrans85.66.1179.700000114.5T106T106-G109 PolarHBondContact O-N 3.42Å
110G97.9Very high98Very high1 Ų138.4 Ų38.41%0.0119%0.191CC..  trans-72138.6-178.700000113.3Q105 T106 S114 L139Q105-G110 CarbonylContact C-O 3.43Å; Q105-G110 VanDerWaalsContact CA-O 3.28Å; Q105-G110 WeakPolarHBondContact CA-O 3.41Å; T106-G110 PolarHBondContact N-O 3.11Å; T106-G110 WeakPolarHBondContact OG1-CA 3.46Å; T106-G110 PolarHBondContact OG1-N 3.08Å; T106-G110 PolarHBondContact OG1-O 3.34Å; G110-S114 WeakPolarHBondContact CA-OG 3.43Å; G110-L139 VanDerWaalsContact N-CD2 3.34Å
111T98.6Very high98.1Very high1 Ų140.6 Ų40.61%0.00620%0.199CC..  trans-112171.217563.30000110.8F81 Q105 L113 S114 A115 D137F81-T111 WeakPolarHBondContact CE2-O 3.24Å; Q105-T111 HydrophobicContact CG-CG2 3.7Å; T111-L113 PolarHBondContact O-N 2.93Å; T111-L113 PolarHBondContact OG1-N 3.11Å; T111-S114 PolarHBondContact N-OG 3.31Å; T111-S114 PolarHBondContact O-N 3.02Å; T111-S114 PolarHBondContact O-OG 3.33Å; T111-S114 PolarHBondContact OG1-N 3.28Å; T111-A115 PolarHBondContact O-N 2.99Å; T111-A115 VanDerWaalsContact O-N 3.1Å; T111-D137 HydrophobicContact CG2-CB 4.08Å; T111-D137 WeakPolarHBondContact CG2-OD2 3.37Å
112A98.6Very high98.1Very high6 Ų640.7 Ų40.75%0.0520%0.2CC..Hα-helixtrans-55.9-35.2171.100000112.1L80 S84 A116 L128L80-A112 HydrophobicContact CD2-CB 4.08Å; L80-A112 HydrophobicContact CG-CB 3.82Å; S84-A112 WeakPolarHBondContact CB-O 3.38Å; A112-A116 WeakPolarHBondContact O-CB 3.49Å; A112-A116 PolarHBondContact O-N 2.95Å; A112-L128 HydrophobicContact CB-CD1 4.23Å; A112-L128 HydrophobicContact CB-CD2 3.93Å; A112-L128 WeakPolarHBondContact O-CD1 3.37Å
113L98.8Very high98.2Very high1 Ų147.4 Ų47.41%0.00523%0.227CC..Hα-helixtrans-69.5-43.2177.4-178.965000112T111 A115 A116 C117 V125 L128 L129 A133 P145 L161T111-L113 PolarHBondContact O-N 2.93Å; T111-L113 PolarHBondContact OG1-N 3.11Å; L113-A115 VanDerWaalsContact C-N 3.32Å; L113-A115 PolarHBondContact O-N 2.9Å; L113-A116 PolarHBondContact O-N 3.08Å; L113-C117 WeakPolarHBondContact O-CB 3.39Å; L113-C117 PolarHBondContact O-N 3.43Å; L113-C117 PolarHBondContact O-SG 3.37Å; L113-V125 HydrophobicContact CD1-CG1 4.08Å; L113-V125 HydrophobicContact CD1-CG2 4.5Å; L113-L128 HydrophobicContact CB-CD1 4.2Å; L113-L128 HydrophobicContact CD1-CB 4.22Å; L113-L128 HydrophobicContact CD1-CD1 4.25Å; L113-L129 HydrophobicContact CD1-CD2 4.18Å; L113-L129 HydrophobicContact CD1-CG 4.11Å; L113-L129 HydrophobicContact CD2-CD2 3.83Å; L113-A133 HydrophobicContact CB-CB 4.13Å; L113-A133 HydrophobicContact CD2-CB 4.09Å; L113-P145 HydrophobicContact CD2-CG 4.14Å; L113-P145 HydrophobicContact CG-CB 4.34Å; L113-P145 HydrophobicContact CG-CG 4.21Å; L113-L161 HydrophobicContact CD1-CD2 4.49Å
114S98.4Very high98.3Very high8 Ų841.3 Ų41.36%0.05620%0.199CC..Hα-helixtrans-63-41.2178.1730000111.1G110 T111 C117 Q118G110-S114 WeakPolarHBondContact CA-OG 3.43Å; T111-S114 PolarHBondContact N-OG 3.31Å; T111-S114 PolarHBondContact O-N 3.02Å; T111-S114 PolarHBondContact O-OG 3.33Å; T111-S114 PolarHBondContact OG1-N 3.28Å; S114-C117 PolarHBondContact O-N 3.08Å; S114-Q118 WeakPolarHBondContact O-CB 3.36Å; S114-Q118 PolarHBondContact O-N 2.93Å
115A98.5Very high98.4Very high2 Ų238.1 Ų38.12%0.01719%0.185CC..Hα-helixtrans-62.1-51.9174.900000111.9F81 Q85 T111 L113 C117 Q118 Y119F81-A115 HydrophobicContact CD2-CB 4.33Å; F81-A115 HydrophobicContact CE1-CB 4.37Å; F81-A115 HydrophobicContact CE2-CB 3.87Å; F81-A115 HydrophobicContact CZ-CB 3.9Å; Q85-A115 HydrophobicContact CB-CB 4.14Å; Q85-A115 HydrophobicContact CG-CB 4.39Å; T111-A115 PolarHBondContact O-N 2.99Å; T111-A115 VanDerWaalsContact O-N 3.1Å; L113-A115 VanDerWaalsContact C-N 3.32Å; L113-A115 PolarHBondContact O-N 2.9Å; A115-C117 PolarHBondContact O-N 3.29Å; A115-Q118 PolarHBondContact O-N 3.46Å; A115-Y119 VanDerWaalsContact O-CD2 3.27Å; A115-Y119 WeakPolarHBondContact O-CD2 3.41Å; A115-Y119 PolarHBondContact O-N 3.04Å
116A98.8Very high98.4Very high0 Ų036.8 Ų36.80%018%0.181CC..Hα-helixtrans-58.1-36.7178.200000112.6A112 L113 G120 H121 V124 V125 L128A112-A116 WeakPolarHBondContact O-CB 3.49Å; A112-A116 PolarHBondContact O-N 2.95Å; L113-A116 PolarHBondContact O-N 3.08Å; A116-G120 PolarHBondContact O-N 3.05Å; A116-H121 PolarHBondContact O-N 3.01Å; A116-V124 HydrophobicContact CB-CB 4.17Å; A116-V124 HydrophobicContact CB-CG1 3.55Å; A116-V125 HydrophobicContact CB-CG2 3.77Å; A116-L128 HydrophobicContact CB-CD1 3.86Å
117C98.8Very high98.4Very high0 Ų037 Ų370%018%0.182CC..Hα-helixtrans-70.6-42.2178.2-690000112.8L113 S114 A115 Y119 G120 P145 A149 H154 V157 L161L113-C117 WeakPolarHBondContact O-CB 3.39Å; L113-C117 PolarHBondContact O-N 3.43Å; L113-C117 PolarHBondContact O-SG 3.37Å; S114-C117 PolarHBondContact O-N 3.08Å; A115-C117 PolarHBondContact O-N 3.29Å; C117-Y119 VanDerWaalsContact C-N 3.34Å; C117-Y119 PolarHBondContact O-N 3.07Å; C117-G120 PolarHBondContact O-N 3.23Å; C117-P145 HydrophobicContact CB-CB 4.05Å; C117-A149 HydrophobicContact CB-CB 4.33Å; C117-H154 PolarHBondContact O-CD2 2.94Å; C117-H154 VanDerWaalsContact O-CD2 3.31Å; C117-V157 HydrophobicContact CB-CG1 3.96Å; C117-L161 HydrophobicContact CB-CD1 4.48Å
118Q98.6Very high98.5Very high63 Ų6329.8 Ų29.829%0.29415%0.151SC..Hα-helixtrans-61.7-42.2176.5-174.3176.42.300111.6S114 A115 L148 E152 H154S114-Q118 WeakPolarHBondContact O-CB 3.36Å; S114-Q118 PolarHBondContact O-N 2.93Å; A115-Q118 PolarHBondContact O-N 3.46Å; Q118-L148 HydrophobicContact CB-CB 4.13Å; Q118-L148 HydrophobicContact CB-CD1 4.44Å; Q118-E152 HydrophobicContact CG-CG 4.2Å; Q118-E152 WeakPolarHBondContact O-CB 3.34Å; Q118-E152 WeakPolarHBondContact O-CG 3.44Å; Q118-H154 PolarHBondContact O-CD2 3.04Å; Q118-H154 VanDerWaalsContact O-CD2 3.28Å; Q118-H154 PolarHBondContact O-NE2 2.96Å
119Y98.5Very high98.6Very high115 Ų11527.1 Ų27.145%0.45114%0.136SC..THydrogen-bonded Turntrans-89.81.7-179.3-66.4-79.2000114.3Q85 A115 C117 H121Q85-Y119 HydrophobicContact CG-CD2 3.55Å; Q85-Y119 HydrophobicContact CG-CE2 3.28Å; A115-Y119 VanDerWaalsContact O-CD2 3.27Å; A115-Y119 WeakPolarHBondContact O-CD2 3.41Å; A115-Y119 PolarHBondContact O-N 3.04Å; C117-Y119 VanDerWaalsContact C-N 3.34Å; C117-Y119 PolarHBondContact O-N 3.07Å; Y119-H121 WeakPolarHBondContact CB-NE2 3.21Å
120G98.3Very high98.6Very high20 Ų2034.2 Ų34.221%0.20617%0.167CC..THydrogen-bonded Turntrans78.619.317000000115.5A116 C117 S122 H154A116-G120 PolarHBondContact O-N 3.05Å; C117-G120 PolarHBondContact O-N 3.23Å; G120-S122 VanDerWaalsContact C-N 3.32Å; G120-S122 PolarHBondContact O-N 3.29Å; G120-H154 WeakPolarHBondContact CA-CD2 3.38Å; G120-H154 PolarHBondContact N-CD2 3.05Å; G120-H154 VanDerWaalsContact N-CD2 3.32Å; G120-H154 PolarHBondContact N-NE2 3.41Å
121H98.8Very high98.6Very high55 Ų5537.9 Ų37.926%0.25519%0.186SC..  trans-81.671.9-174.2-61.7-46.7000112.5S84 Q85 G87 A116 Y119 K123 V124 V125S84-H121 PolarHBondContact O-CD2 3.49Å; S84-H121 VanDerWaalsContact O-CD2 3.31Å; Q85-H121 PolarHBondContact O-CD2 3.3Å; Q85-H121 PolarHBondContact O-NE2 3.08Å; Q85-H121 VanDerWaalsContact O-NE2 3.11Å; G87-H121 WeakPolarHBondContact CA-CD2 3.41Å; G87-H121 PolarHBondContact N-CD2 3.47Å; G87-H121 PolarHBondContact N-NE2 3.31Å; A116-H121 PolarHBondContact O-N 3.01Å; Y119-H121 WeakPolarHBondContact CB-NE2 3.21Å; H121-K123 VanDerWaalsContact C-N 3.29Å; H121-K123 PolarHBondContact O-N 3.19Å; H121-K123 VanDerWaalsContact O-N 3.11Å; H121-V124 HydrophobicContact CB-CB 4.01Å; H121-V124 HydrophobicContact CB-CG2 4.16Å; H121-V124 WeakPolarHBondContact O-CA 3.46Å; H121-V124 WeakPolarHBondContact O-CB 3.43Å; H121-V124 PolarHBondContact O-N 3.49Å; H121-V125 PolarHBondContact O-N 3.16Å
122S98.6Very high98.5Very high37 Ų3740.3 Ų40.326%0.25921%0.211SC..Hα-helixtrans-50.3-36.6-175.655.50000116.2G120 V125 D126 Q160G120-S122 VanDerWaalsContact C-N 3.32Å; G120-S122 PolarHBondContact O-N 3.29Å; S122-V125 PolarHBondContact O-N 2.86Å; S122-D126 PolarHBondContact O-N 3.3Å; S122-Q160 VanDerWaalsContact CB-OE1 3.25Å; S122-Q160 PolarHBondContact O-NE2 3.11Å; S122-Q160 PolarHBondContact O-OE1 3.15Å
123K98.8Very high98.5Very high154 Ų15440.5 Ų40.567%0.6721%0.213SC*.Hα-helixtrans-66.7-41.3175.5-69.7-177.3178.6178.60112.3N89 H121 T127N89-K123 HydrophobicContact CB-CB 4.32Å; N89-K123 PolarHBondContact OD1-O 3.34Å; H121-K123 VanDerWaalsContact C-N 3.29Å; H121-K123 PolarHBondContact O-N 3.19Å; H121-K123 VanDerWaalsContact O-N 3.11Å; K123-T127 PolarHBondContact O-N 3.36Å; K123-T127 VanDerWaalsContact O-N 3.09Å; K123-T127 PolarHBondContact O-OG1 3.31Å
124V98.9Very high98.5Very high1 Ų143.7 Ų43.71%0.00623%0.23CC..Hα-helixtrans-66.5-44.9175.6170.30000109.8N89 V92 A116 H121 D126 T127 L128N89-V124 HydrophobicContact CB-CG2 3.96Å; N89-V124 WeakPolarHBondContact OD1-CA 3.32Å; N89-V124 PolarHBondContact OD1-N 2.9Å; V92-V124 HydrophobicContact CG2-CG1 4.13Å; V92-V124 HydrophobicContact CG2-CG2 4.24Å; A116-V124 HydrophobicContact CB-CB 4.17Å; A116-V124 HydrophobicContact CB-CG1 3.55Å; H121-V124 HydrophobicContact CB-CB 4.01Å; H121-V124 HydrophobicContact CB-CG2 4.16Å; H121-V124 WeakPolarHBondContact O-CA 3.46Å; H121-V124 WeakPolarHBondContact O-CB 3.43Å; H121-V124 PolarHBondContact O-N 3.49Å; V124-D126 VanDerWaalsContact C-N 3.32Å; V124-D126 PolarHBondContact O-N 2.96Å; V124-T127 PolarHBondContact O-N 3.31Å; V124-T127 VanDerWaalsContact O-N 3.11Å; V124-L128 HydrophobicContact CG1-CD1 3.62Å; V124-L128 HydrophobicContact CG1-CG 3.97Å; V124-L128 WeakPolarHBondContact O-CB 3.47Å; V124-L128 VanDerWaalsContact O-CG 3.29Å; V124-L128 WeakPolarHBondContact O-CG 3.46Å; V124-L128 PolarHBondContact O-N 3.24Å
125V98.8Very high98.4Very high0 Ų043.9 Ų43.90%023%0.231CC..Hα-helixtrans-55.2-47.6176.7171.90000111.2L113 A116 H121 S122 T127 L128 L129 V157 Q160 L161L113-V125 HydrophobicContact CD1-CG1 4.08Å; L113-V125 HydrophobicContact CD1-CG2 4.5Å; A116-V125 HydrophobicContact CB-CG2 3.77Å; H121-V125 PolarHBondContact O-N 3.16Å; S122-V125 PolarHBondContact O-N 2.86Å; V125-T127 PolarHBondContact O-N 3.35Å; V125-L128 PolarHBondContact O-N 2.96Å; V125-L129 HydrophobicContact CG1-CD1 3.67Å; V125-L129 HydrophobicContact CG1-CG 4.39Å; V125-L129 WeakPolarHBondContact O-CB 3.3Å; V125-L129 WeakPolarHBondContact O-CD1 3.4Å; V125-L129 VanDerWaalsContact O-CG 3.24Å; V125-L129 WeakPolarHBondContact O-CG 3.46Å; V125-L129 PolarHBondContact O-N 3.31Å; V125-V157 HydrophobicContact CG1-CG1 4.43Å; V125-V157 HydrophobicContact CG2-CG1 4.11Å; V125-V157 HydrophobicContact CG2-CG2 4.12Å; V125-Q160 HydrophobicContact CG1-CB 4.33Å; V125-L161 HydrophobicContact CG1-CD2 4.4Å
126D98.6Very high98.4Very high59 Ų5947.3 Ų47.332%0.31625%0.246SC..Hα-helixtrans-59-45.3175.7-176.461.4000112.3S122 V124 K130S122-D126 PolarHBondContact O-N 3.3Å; V124-D126 VanDerWaalsContact C-N 3.32Å; V124-D126 PolarHBondContact O-N 2.96Å; D126-K130 WeakPolarHBondContact O-CB 3.36Å; D126-K130 VanDerWaalsContact O-CG 3.29Å; D126-K130 WeakPolarHBondContact O-CG 3.31Å; D126-K130 PolarHBondContact O-N 3.47Å; D126-K130 VanDerWaalsContact OD1-CE 3.28Å; D126-K130 WeakPolarHBondContact OD1-CE 3.47Å; D126-K130 IonicContact OD1-NZ 3.39Å; D126-K130 PolarHBondContact OD1-NZ 2.79Å; D126-K130 WeakPolarHBondContact OD2-CE 3.06Å; D126-K130 IonicContact OD2-NZ 2.66Å; D126-K130 PolarHBondContact OD2-NZ 3.24Å
127T98.8Very high98.3Very high14 Ų1448.5 Ų48.59%0.08625%0.253CS..Hα-helixtrans-64.1-44.6178.7-56.30000111.7N89 V92 K93 F96 K123 V124 V125 K130 N131N89-T127 PolarHBondContact OD1-OG1 3.31Å; V92-T127 HydrophobicContact CG1-CG2 3.93Å; K93-T127 HydrophobicContact CG-CG2 3.99Å; F96-T127 HydrophobicContact CD2-CG2 4.07Å; F96-T127 HydrophobicContact CE2-CG2 4.17Å; K123-T127 PolarHBondContact O-N 3.36Å; K123-T127 VanDerWaalsContact O-N 3.09Å; K123-T127 PolarHBondContact O-OG1 3.31Å; V124-T127 PolarHBondContact O-N 3.31Å; V124-T127 VanDerWaalsContact O-N 3.11Å; V125-T127 PolarHBondContact O-N 3.35Å; T127-K130 PolarHBondContact O-N 3.46Å; T127-N131 PolarHBondContact O-N 3.04Å; T127-N131 VanDerWaalsContact O-N 3.15Å; T127-N131 PolarHBondContact O-ND2 3.29Å
128L98.8Very high98.2Very high0 Ų052 Ų520%027%0.269CS..Hα-helixtrans-62.9-46.6178.9-70.7172.2000111.5L80 V92 F96 A112 L113 A116 V124 V125 K130 N131 G132 A133L80-L128 HydrophobicContact CD1-CD2 4.11Å; L80-L128 HydrophobicContact CD2-CD2 4.26Å; L80-L128 HydrophobicContact CG-CD2 4.33Å; V92-L128 HydrophobicContact CG1-CD2 4.28Å; F96-L128 HydrophobicContact CE2-CD2 3.8Å; F96-L128 HydrophobicContact CZ-CD2 3.64Å; A112-L128 HydrophobicContact CB-CD1 4.23Å; A112-L128 HydrophobicContact CB-CD2 3.93Å; A112-L128 WeakPolarHBondContact O-CD1 3.37Å; L113-L128 HydrophobicContact CB-CD1 4.2Å; L113-L128 HydrophobicContact CD1-CB 4.22Å; L113-L128 HydrophobicContact CD1-CD1 4.25Å; A116-L128 HydrophobicContact CB-CD1 3.86Å; V124-L128 HydrophobicContact CG1-CD1 3.62Å; V124-L128 HydrophobicContact CG1-CG 3.97Å; V124-L128 WeakPolarHBondContact O-CB 3.47Å; V124-L128 VanDerWaalsContact O-CG 3.29Å; V124-L128 WeakPolarHBondContact O-CG 3.46Å; V124-L128 PolarHBondContact O-N 3.24Å; V125-L128 PolarHBondContact O-N 2.96Å; L128-K130 VanDerWaalsContact C-N 3.35Å; L128-K130 PolarHBondContact O-N 2.92Å; L128-N131 CarbonylContact O-C 3.5Å; L128-N131 PolarHBondContact O-N 3.33Å; L128-N131 VanDerWaalsContact O-N 3.12Å; L128-G132 PolarHBondContact O-N 3.1Å; L128-A133 HydrophobicContact CB-CB 3.95Å; L128-A133 VanDerWaalsContact O-CB 3.22Å; L128-A133 WeakPolarHBondContact O-CB 3.27Å; L128-A133 PolarHBondContact O-N 3Å
129L98.4Very high98.2Very high32 Ų3250.2 Ų50.217%0.16826%0.262CS..Hα-helixtrans-63.9-39.5179.5-68.9167.4000111.9L113 V125 N131 G132 V135 L161L113-L129 HydrophobicContact CD1-CD2 4.18Å; L113-L129 HydrophobicContact CD1-CG 4.11Å; L113-L129 HydrophobicContact CD2-CD2 3.83Å; V125-L129 HydrophobicContact CG1-CD1 3.67Å; V125-L129 HydrophobicContact CG1-CG 4.39Å; V125-L129 WeakPolarHBondContact O-CB 3.3Å; V125-L129 WeakPolarHBondContact O-CD1 3.4Å; V125-L129 VanDerWaalsContact O-CG 3.24Å; V125-L129 WeakPolarHBondContact O-CG 3.46Å; V125-L129 PolarHBondContact O-N 3.31Å; L129-N131 PolarHBondContact O-N 2.9Å; L129-G132 PolarHBondContact O-N 3.37Å; L129-V135 HydrophobicContact CD2-CB 4.13Å; L129-V135 HydrophobicContact CD2-CG2 4.24Å; L129-L161 HydrophobicContact CD1-CD2 4.44Å
130K98.2Very high98.2Very high149 Ų14950.7 Ų50.765%0.64827%0.268SS*.Hα-helixtrans-64.4-27.2174.3-76171.2178.3169.60113.4D126 T127 L128 G132D126-K130 WeakPolarHBondContact O-CB 3.36Å; D126-K130 VanDerWaalsContact O-CG 3.29Å; D126-K130 WeakPolarHBondContact O-CG 3.31Å; D126-K130 PolarHBondContact O-N 3.47Å; D126-K130 VanDerWaalsContact OD1-CE 3.28Å; D126-K130 WeakPolarHBondContact OD1-CE 3.47Å; D126-K130 IonicContact OD1-NZ 3.39Å; D126-K130 PolarHBondContact OD1-NZ 2.79Å; D126-K130 WeakPolarHBondContact OD2-CE 3.06Å; D126-K130 IonicContact OD2-NZ 2.66Å; D126-K130 PolarHBondContact OD2-NZ 3.24Å; T127-K130 PolarHBondContact O-N 3.46Å; L128-K130 VanDerWaalsContact C-N 3.35Å; L128-K130 PolarHBondContact O-N 2.92Å; K130-G132 VanDerWaalsContact C-N 3.34Å
131N98.3Very high98.1Very high78 Ų7852 Ų5242%0.41727%0.27SS..THydrogen-bonded Turntrans-96.721.9177.4-72.4-82.2000112.7F96 T127 L128 L129F96-N131 HydrophobicContact CD1-CB 3.81Å; F96-N131 HydrophobicContact CD2-CB 4.03Å; F96-N131 HydrophobicContact CE1-CB 3.61Å; F96-N131 HydrophobicContact CE2-CB 3.8Å; F96-N131 HydrophobicContact CG-CB 4.03Å; F96-N131 HydrophobicContact CZ-CB 3.58Å; T127-N131 PolarHBondContact O-N 3.04Å; T127-N131 VanDerWaalsContact O-N 3.15Å; T127-N131 PolarHBondContact O-ND2 3.29Å; L128-N131 CarbonylContact O-C 3.5Å; L128-N131 PolarHBondContact O-N 3.33Å; L128-N131 VanDerWaalsContact O-N 3.12Å; L129-N131 PolarHBondContact O-N 2.9Å
132G96.8Very high98Very high52 Ų5249.7 Ų49.754%0.53626%0.261SS..THydrogen-bonded Turntrans8810168.600000115.9L128 L129 K130 N134L128-G132 PolarHBondContact O-N 3.1Å; L129-G132 PolarHBondContact O-N 3.37Å; K130-G132 VanDerWaalsContact C-N 3.34Å; G132-N134 PolarHBondContact O-N 3.45Å
133A98.2Very high98Very high10 Ų1048 Ų488%0.08325%0.249CC..  trans-58.7130175.100000111.3T102 L113 L128 V135T102-A133 HydrophobicContact CG2-CB 3.8Å; L113-A133 HydrophobicContact CB-CB 4.13Å; L113-A133 HydrophobicContact CD2-CB 4.09Å; L128-A133 HydrophobicContact CB-CB 3.95Å; L128-A133 VanDerWaalsContact O-CB 3.22Å; L128-A133 WeakPolarHBondContact O-CB 3.27Å; L128-A133 PolarHBondContact O-N 3Å; A133-V135 PolarHBondContact O-N 3.48Å
134N98.1Very high98Very high68 Ų6841.1 Ų41.136%0.36422%0.22SC..  trans-74.7113.8-177.9177.716.8000111.4G132 H136 D137G132-N134 PolarHBondContact O-N 3.45Å; N134-H136 PolarHBondContact O-N 2.89Å; N134-H136 VanDerWaalsContact O-N 3.08Å; N134-H136 WeakPolarHBondContact OD1-CB 3.37Å; N134-H136 PolarHBondContact OD1-N 3.26Å; N134-D137 WeakPolarHBondContact CB-OD1 3.43Å; N134-D137 PolarHBondContact ND2-OD1 3.38Å; N134-D137 PolarHBondContact O-N 2.92Å
135V98Very high97.9Very high13 Ų1341.1 Ų41.18%0.07922%0.22CC..THydrogen-bonded Turntrans-63.8-14.4178.7770000113.5L129 A133 L161 A166L129-V135 HydrophobicContact CD2-CB 4.13Å; L129-V135 HydrophobicContact CD2-CG2 4.24Å; A133-V135 PolarHBondContact O-N 3.48Å; V135-L161 HydrophobicContact CG2-CB 4.43Å; V135-L161 HydrophobicContact CG2-CD2 3.74Å; V135-A166 HydrophobicContact CG2-CB 3.76Å
136H97.1Very high97.9Very high73 Ų7341.2 Ų41.234%0.33822%0.22SC..THydrogen-bonded Turntrans-102.52.5-177.3-60-49.2000114.8N134 Q138 G165N134-H136 PolarHBondContact O-N 2.89Å; N134-H136 VanDerWaalsContact O-N 3.08Å; N134-H136 WeakPolarHBondContact OD1-CB 3.37Å; N134-H136 PolarHBondContact OD1-N 3.26Å; H136-Q138 WeakPolarHBondContact O-CG 3.28Å; H136-G165 PolarHBondContact CE1-O 3.11Å
137D96.9Very high97.9Very high26 Ų2638.4 Ų38.414%0.13921%0.206CC..  trans-57.6154.5174.7-69.9-24.5000111.5T111 N134 P145T111-D137 HydrophobicContact CG2-CB 4.08Å; T111-D137 WeakPolarHBondContact CG2-OD2 3.37Å; N134-D137 WeakPolarHBondContact CB-OD1 3.43Å; N134-D137 PolarHBondContact ND2-OD1 3.38Å; N134-D137 PolarHBondContact O-N 2.92Å; D137-P145 WeakPolarHBondContact O-CD 3.23Å
138Q97.4Very high97.9Very high74 Ų7438.2 Ų38.235%0.34620%0.204SC..  trans-138.9142-172.7-54.5-173.20.500110.6H136 A143 T144 H170H136-Q138 WeakPolarHBondContact O-CG 3.28Å; Q138-A143 WeakPolarHBondContact CA-O 3.5Å; Q138-T144 HydrophobicContact CG-CG2 4.12Å; Q138-H170 PolarHBondContact NE2-CD2 3.49Å; Q138-H170 PolarHBondContact NE2-CE1 3.11Å; Q138-H170 PolarHBondContact NE2-NE2 2.97Å
139L98.3Very high97.9Very high25 Ų2538.2 Ų38.213%0.13120%0.204CC..  trans-64.6162.1159.3-56.7-172.9000109.8D108 G110 D141 G142 A143 L148D108-L139 CarbonylContact O-C 3.44Å; D108-L139 VanDerWaalsContact O-CA 3.25Å; D108-L139 WeakPolarHBondContact O-CA 3.49Å; D108-L139 WeakPolarHBondContact O-CB 3.43Å; G110-L139 VanDerWaalsContact N-CD2 3.34Å; L139-D141 WeakPolarHBondContact CB-OD1 3.16Å; L139-D141 PolarHBondContact O-N 2.78Å; L139-G142 PolarHBondContact O-N 3.16Å; L139-A143 HydrophobicContact CB-CB 4.22Å; L139-A143 HydrophobicContact CD1-CB 4.06Å; L139-A143 HydrophobicContact CG-CB 4.22Å; L139-A143 PolarHBondContact N-O 3.15Å; L139-L148 HydrophobicContact CD1-CD1 4.23Å; L139-L148 HydrophobicContact CD1-CD2 4.17Å
140H97.4Very high97.9Very high124 Ų12436.7 Ų36.757%0.57420%0.196SC*.THydrogen-bonded Turntrans-59.3-19.3178.8-69.1-178.6000114K107 D108 G142K107-H140 PolarHBondContact O-CE1 2.88Å; K107-H140 PolarHBondContact O-ND1 3.5Å; D108-H140 PolarHBondContact O-N 2.92Å; H140-G142 VanDerWaalsContact C-N 3.32Å
141D96.4Very high97.9Very high49 Ų4931.6 Ų31.626%0.26218%0.175SC..THydrogen-bonded Turntrans-92.710.5176.269.92.5000113.8L139 A143 R172 E173L139-D141 WeakPolarHBondContact CB-OD1 3.16Å; L139-D141 PolarHBondContact O-N 2.78Å; D141-A143 WeakPolarHBondContact OD1-CB 3.37Å; D141-A143 PolarHBondContact OD1-N 3.23Å; D141-R172 VanDerWaalsContact CG-CZ 3.45Å; D141-R172 PolarHBondContact O-NE 3.34Å; D141-R172 IonicContact OD1-NE 3.52Å; D141-R172 IonicContact OD2-CZ 3.74Å; D141-R172 IonicContact OD2-NE 3.36Å; D141-R172 IonicContact OD2-NH1 2.65Å; D141-R172 PolarHBondContact OD2-NH1 2.95Å; D141-R172 IonicContact OD2-NH2 2.94Å; D141-R172 PolarHBondContact OD2-NH2 2.98Å; D141-E173 PolarHBondContact O-N 3.31Å; D141-E173 VanDerWaalsContact O-N 3.16Å
142G97.2Very high97.9Very high6 Ų631.6 Ų31.66%0.06217%0.172CC..  trans81.24.7-17900000114.7L139 H140 T144L139-G142 PolarHBondContact O-N 3.16Å; H140-G142 VanDerWaalsContact C-N 3.32Å; G142-T144 PolarHBondContact O-N 2.98Å
143A98.1Very high98Very high2 Ų230 Ų302%0.01716%0.155CC..  trans-70.2120.6179.800000111.4Q138 L139 D141 F147 L148 R172Q138-A143 WeakPolarHBondContact CA-O 3.5Å; L139-A143 HydrophobicContact CB-CB 4.22Å; L139-A143 HydrophobicContact CD1-CB 4.06Å; L139-A143 HydrophobicContact CG-CB 4.22Å; L139-A143 PolarHBondContact N-O 3.15Å; D141-A143 WeakPolarHBondContact OD1-CB 3.37Å; D141-A143 PolarHBondContact OD1-N 3.23Å; A143-F147 HydrophobicContact CB-CD1 3.86Å; A143-F147 HydrophobicContact CB-CE1 4.47Å; A143-F147 HydrophobicContact CB-CG 4.33Å; A143-L148 HydrophobicContact CB-CD2 4.24Å; A143-L148 HydrophobicContact CB-CG 4.5Å; A143-R172 HydrophobicContact CB-CG 4.12Å
144T98.4Very high98Very high8 Ų832.1 Ų32.15%0.04916%0.164CC..  trans-84.7163.2173.860.40000111.7Q138 G142 L146 F147 L148 H170Q138-T144 HydrophobicContact CG-CG2 4.12Å; G142-T144 PolarHBondContact O-N 2.98Å; T144-L146 PolarHBondContact O-N 3.46Å; T144-F147 WeakPolarHBondContact O-CA 3.42Å; T144-F147 VanDerWaalsContact O-CB 3.31Å; T144-F147 WeakPolarHBondContact O-CB 3.15Å; T144-F147 PolarHBondContact O-N 3.21Å; T144-F147 PolarHBondContact OG1-N 3.45Å; T144-F147 VanDerWaalsContact OG1-N 3.15Å; T144-L148 PolarHBondContact O-N 3.18Å; T144-H170 HydrophobicContact CG2-CB 4.29Å
145P98.4Very high98Very high1 Ų130.4 Ų30.41%0.00616%0.155CC..Hα-helixtrans-52.2-36.7169.7-28.732.8000113.4L113 C117 D137 L148 A149 L161L113-P145 HydrophobicContact CD2-CG 4.14Å; L113-P145 HydrophobicContact CG-CB 4.34Å; L113-P145 HydrophobicContact CG-CG 4.21Å; C117-P145 HydrophobicContact CB-CB 4.05Å; D137-P145 WeakPolarHBondContact O-CD 3.23Å; P145-L148 PolarHBondContact O-N 3.03Å; P145-A149 WeakPolarHBondContact O-CB 3.43Å; P145-A149 PolarHBondContact O-N 3.01Å; P145-L161 HydrophobicContact CB-CD1 4.14Å; P145-L161 HydrophobicContact CB-CD2 4.12Å
146L98.6Very high98.1Very high2 Ų234 Ų341%0.0118%0.178CC..Hα-helixtrans-66.3-40.7176.1-178.667.3000111.7T144 S150 I158 L161 L162 A166 P178 L194T144-L146 PolarHBondContact O-N 3.46Å; L146-S150 VanDerWaalsContact O-CB 3.3Å; L146-S150 WeakPolarHBondContact O-CB 3.49Å; L146-S150 PolarHBondContact O-N 3.45Å; L146-S150 PolarHBondContact O-OG 2.99Å; L146-I158 HydrophobicContact CD1-CB 4.28Å; L146-I158 HydrophobicContact CD1-CG1 4.12Å; L146-I158 HydrophobicContact CD1-CG2 3.89Å; L146-L161 HydrophobicContact CB-CD1 4.18Å; L146-L161 HydrophobicContact CD1-CB 4.32Å; L146-L161 HydrophobicContact CD1-CD1 4.29Å; L146-L162 HydrophobicContact CD1-CD2 4.18Å; L146-L162 HydrophobicContact CD1-CG 4.08Å; L146-L162 HydrophobicContact CD2-CD2 3.78Å; L146-A166 HydrophobicContact CB-CB 4.35Å; L146-A166 HydrophobicContact CD2-CB 4.27Å; L146-P178 HydrophobicContact CD2-CG 4.38Å; L146-P178 HydrophobicContact CG-CB 4.49Å; L146-P178 HydrophobicContact CG-CG 4.45Å; L146-L194 HydrophobicContact CD1-CD2 4.3Å; L146-L194 HydrophobicContact CD2-CD2 4.42Å
147F98.6Very high98.1Very high1 Ų130.6 Ų30.60%0.00416%0.162CC..Hα-helixtrans-60.2-49.8175-176.3-81.8000111.2A143 T144 A149 S150 Q151 R172 T176 P178 M181A143-F147 HydrophobicContact CB-CD1 3.86Å; A143-F147 HydrophobicContact CB-CE1 4.47Å; A143-F147 HydrophobicContact CB-CG 4.33Å; T144-F147 WeakPolarHBondContact O-CA 3.42Å; T144-F147 VanDerWaalsContact O-CB 3.31Å; T144-F147 WeakPolarHBondContact O-CB 3.15Å; T144-F147 PolarHBondContact O-N 3.21Å; T144-F147 PolarHBondContact OG1-N 3.45Å; T144-F147 VanDerWaalsContact OG1-N 3.15Å; F147-A149 PolarHBondContact O-N 2.94Å; F147-S150 WeakPolarHBondContact O-CB 3.25Å; F147-S150 PolarHBondContact O-N 2.99Å; F147-S150 VanDerWaalsContact O-N 3.11Å; F147-Q151 PolarHBondContact O-N 3.49Å; F147-R172 HydrophobicContact CD1-CG 4.44Å; F147-R172 HydrophobicContact CD2-CG 3.95Å; F147-R172 VanDerWaalsContact CE1-CD 3.49Å; F147-R172 HydrophobicContact CE1-CG 4.3Å; F147-R172 HydrophobicContact CE2-CG 3.76Å; F147-R172 HydrophobicContact CG-CG 4.3Å; F147-R172 HydrophobicContact CZ-CG 3.94Å; F147-T176 HydrophobicContact CE2-CG2 3.81Å; F147-T176 WeakPolarHBondContact CE2-O 3.41Å; F147-T176 HydrophobicContact CZ-CG2 4.12Å; F147-P178 HydrophobicContact CB-CG 4.38Å; F147-P178 HydrophobicContact CD2-CG 4.35Å; F147-M181 HydrophobicContact CE1-CE 4.17Å; F147-M181 HydrophobicContact CE1-CG 4.17Å; F147-M181 HydrophobicContact CE2-CB 3.9Å; F147-M181 HydrophobicContact CE2-CG 4.41Å; F147-M181 HydrophobicContact CZ-CB 3.83Å; F147-M181 HydrophobicContact CZ-CE 3.57Å; F147-M181 HydrophobicContact CZ-CG 3.85Å
148L98.6Very high98.2Very high9 Ų929.4 Ų29.45%0.04716%0.155CC..Hα-helixtrans-61.8-45.2-179.6-63.1173.1000111.9Q118 L139 A143 T144 P145 S150 Q151 E152Q118-L148 HydrophobicContact CB-CB 4.13Å; Q118-L148 HydrophobicContact CB-CD1 4.44Å; L139-L148 HydrophobicContact CD1-CD1 4.23Å; L139-L148 HydrophobicContact CD1-CD2 4.17Å; A143-L148 HydrophobicContact CB-CD2 4.24Å; A143-L148 HydrophobicContact CB-CG 4.5Å; T144-L148 PolarHBondContact O-N 3.18Å; P145-L148 PolarHBondContact O-N 3.03Å; L148-S150 VanDerWaalsContact C-N 3.25Å; L148-S150 PolarHBondContact O-N 3.29Å; L148-Q151 WeakPolarHBondContact O-CB 3.24Å; L148-Q151 PolarHBondContact O-N 2.85Å; L148-E152 PolarHBondContact O-N 2.88Å; L148-E152 VanDerWaalsContact O-N 3.16Å
149A98.7Very high98.3Very high0 Ų030.5 Ų30.50%016%0.156CC..Hα-helixtrans-63.3-32.4175.300000112.5C117 P145 F147 G153 H154 V157 I158 L161C117-A149 HydrophobicContact CB-CB 4.33Å; P145-A149 WeakPolarHBondContact O-CB 3.43Å; P145-A149 PolarHBondContact O-N 3.01Å; F147-A149 PolarHBondContact O-N 2.94Å; A149-G153 PolarHBondContact O-N 3.37Å; A149-H154 HydrophobicContact CB-CB 4.42Å; A149-H154 PolarHBondContact O-N 2.98Å; A149-V157 HydrophobicContact CB-CB 4.28Å; A149-V157 HydrophobicContact CB-CG1 3.67Å; A149-I158 HydrophobicContact CB-CG1 3.88Å; A149-L161 HydrophobicContact CB-CD1 4.26Å
150S98.6Very high98.3Very high0 Ų031.4 Ų31.40%016%0.16CC..Hα-helixtrans-73.6-33.6176.7-58.40000113L146 F147 L148 H187L146-S150 VanDerWaalsContact O-CB 3.3Å; L146-S150 WeakPolarHBondContact O-CB 3.49Å; L146-S150 PolarHBondContact O-N 3.45Å; L146-S150 PolarHBondContact O-OG 2.99Å; F147-S150 WeakPolarHBondContact O-CB 3.25Å; F147-S150 PolarHBondContact O-N 2.99Å; F147-S150 VanDerWaalsContact O-N 3.11Å; L148-S150 VanDerWaalsContact C-N 3.25Å; L148-S150 PolarHBondContact O-N 3.29Å; S150-H187 PolarHBondContact O-CD2 2.65Å
151Q98.4Very high98.3Very high43 Ų4325.5 Ų25.520%0.20113%0.132CC..Hα-helixtrans-64.3-43.5173.2-175.2-178.2-78.500111.5F147 L148 M181 M185 H187F147-Q151 PolarHBondContact O-N 3.49Å; L148-Q151 WeakPolarHBondContact O-CB 3.24Å; L148-Q151 PolarHBondContact O-N 2.85Å; Q151-M181 HydrophobicContact CB-CG 3.71Å; Q151-M181 HydrophobicContact CG-CG 3.85Å; Q151-M181 HydrophobicContact CG-SD 4.15Å; Q151-M185 HydrophobicContact CG-CG 4.36Å; Q151-M185 WeakPolarHBondContact O-CG 3.18Å; Q151-H187 PolarHBondContact O-CD2 3.36Å; Q151-H187 PolarHBondContact O-NE2 2.66Å
152E98.4Very high98.4Very high78 Ų7824 Ų2436%0.36412%0.124SC..Hα-helixtrans-90.5-7.4-175.2-57.8-57143.900113.6Q118 L148 H154Q118-E152 HydrophobicContact CG-CG 4.2Å; Q118-E152 WeakPolarHBondContact O-CB 3.34Å; Q118-E152 WeakPolarHBondContact O-CG 3.44Å; L148-E152 PolarHBondContact O-N 2.88Å; L148-E152 VanDerWaalsContact O-N 3.16Å; E152-H154 VanDerWaalsContact CB-NE2 3.3Å; E152-H154 WeakPolarHBondContact CB-NE2 3.47Å
153G98.2Very high98.5Very high18 Ų1827.6 Ų27.619%0.18615%0.149CC..THydrogen-bonded Turntrans88.718.3171.300000115.3A149 V155 H187A149-G153 PolarHBondContact O-N 3.37Å; G153-V155 PolarHBondContact O-N 2.91Å; G153-H187 WeakPolarHBondContact CA-CD2 3.17Å; G153-H187 PolarHBondContact N-CD2 3.36Å; G153-H187 PolarHBondContact N-NE2 2.95Å
154H98.6Very high98.4Very high55 Ų5530.3 Ų30.326%0.25517%0.168SC..  trans-83.178.1-170.5-61.2-49.2000113.1C117 Q118 G120 A149 E152 T156 V157 I158C117-H154 PolarHBondContact O-CD2 2.94Å; C117-H154 VanDerWaalsContact O-CD2 3.31Å; Q118-H154 PolarHBondContact O-CD2 3.04Å; Q118-H154 VanDerWaalsContact O-CD2 3.28Å; Q118-H154 PolarHBondContact O-NE2 2.96Å; G120-H154 WeakPolarHBondContact CA-CD2 3.38Å; G120-H154 PolarHBondContact N-CD2 3.05Å; G120-H154 VanDerWaalsContact N-CD2 3.32Å; G120-H154 PolarHBondContact N-NE2 3.41Å; A149-H154 HydrophobicContact CB-CB 4.42Å; A149-H154 PolarHBondContact O-N 2.98Å; E152-H154 VanDerWaalsContact CB-NE2 3.3Å; E152-H154 WeakPolarHBondContact CB-NE2 3.47Å; H154-T156 VanDerWaalsContact C-N 3.32Å; H154-T156 PolarHBondContact O-N 2.85Å; H154-V157 HydrophobicContact CB-CB 3.98Å; H154-V157 HydrophobicContact CB-CG2 4.13Å; H154-V157 WeakPolarHBondContact O-CB 3.43Å; H154-V157 PolarHBondContact O-N 2.49Å; H154-V157 VanDerWaalsContact O-N 3.11Å; H154-I158 WeakPolarHBondContact O-CD1 3.5Å; H154-I158 WeakPolarHBondContact O-CG1 3.36Å; H154-I158 PolarHBondContact O-N 3.05Å
155V98.4Very high98.4Very high32 Ų3232.1 Ų32.119%0.19419%0.188CC..Hα-helixtrans-52.4-44.6-174.8178.80000113.3G153 V157 I158 R159 E189 V190 V193G153-V155 PolarHBondContact O-N 2.91Å; V155-V157 PolarHBondContact O-N 3.04Å; V155-I158 PolarHBondContact O-N 2.9Å; V155-R159 WeakPolarHBondContact O-CG 3.18Å; V155-R159 PolarHBondContact O-N 3.06Å; V155-E189 HydrophobicContact CB-CG 4.49Å; V155-E189 HydrophobicContact CG1-CG 4.01Å; V155-E189 HydrophobicContact CG2-CB 3.98Å; V155-E189 HydrophobicContact CG2-CG 3.69Å; V155-V190 HydrophobicContact CG2-CG2 3.73Å; V155-V193 HydrophobicContact CG1-CG2 4.09Å
156T98.5Very high98.3Very high89 Ų8932.6 Ų32.655%0.54619%0.192SC..Hα-helixtrans-62.8-44.2-179.2-53.20000111.5H154 R159 Q160H154-T156 VanDerWaalsContact C-N 3.32Å; H154-T156 PolarHBondContact O-N 2.85Å; T156-R159 PolarHBondContact O-N 3.07Å; T156-Q160 WeakPolarHBondContact O-CG 3.27Å; T156-Q160 PolarHBondContact O-N 2.87Å; T156-Q160 VanDerWaalsContact O-N 3.11Å
157V98.8Very high98.3Very high1 Ų138.6 Ų38.61%0.00622%0.218CC..Hα-helixtrans-62.7-45.1176.6169.70000110.5C117 V125 A149 H154 V155 R159 Q160 L161C117-V157 HydrophobicContact CB-CG1 3.96Å; V125-V157 HydrophobicContact CG1-CG1 4.43Å; V125-V157 HydrophobicContact CG2-CG1 4.11Å; V125-V157 HydrophobicContact CG2-CG2 4.12Å; A149-V157 HydrophobicContact CB-CB 4.28Å; A149-V157 HydrophobicContact CB-CG1 3.67Å; H154-V157 HydrophobicContact CB-CB 3.98Å; H154-V157 HydrophobicContact CB-CG2 4.13Å; H154-V157 WeakPolarHBondContact O-CB 3.43Å; H154-V157 PolarHBondContact O-N 2.49Å; H154-V157 VanDerWaalsContact O-N 3.11Å; V155-V157 PolarHBondContact O-N 3.04Å; V157-R159 VanDerWaalsContact C-N 3.3Å; V157-R159 PolarHBondContact O-N 2.86Å; V157-Q160 WeakPolarHBondContact O-CB 3.32Å; V157-Q160 PolarHBondContact O-N 3.3Å; V157-Q160 VanDerWaalsContact O-N 3.08Å; V157-L161 HydrophobicContact CG1-CD1 3.8Å; V157-L161 HydrophobicContact CG1-CG 4.15Å; V157-L161 WeakPolarHBondContact O-CG 3.47Å; V157-L161 PolarHBondContact O-N 3.03Å
158I98.7Very high98.3Very high0 Ų039.5 Ų39.50%022%0.223CC..Hα-helixtrans-56.3-45.3176.9-71.7154.5000111.3L146 A149 H154 V155 Q160 L161 L162 V190 V193 L194L146-I158 HydrophobicContact CD1-CB 4.28Å; L146-I158 HydrophobicContact CD1-CG1 4.12Å; L146-I158 HydrophobicContact CD1-CG2 3.89Å; A149-I158 HydrophobicContact CB-CG1 3.88Å; H154-I158 WeakPolarHBondContact O-CD1 3.5Å; H154-I158 WeakPolarHBondContact O-CG1 3.36Å; H154-I158 PolarHBondContact O-N 3.05Å; V155-I158 PolarHBondContact O-N 2.9Å; I158-Q160 VanDerWaalsContact C-N 3.31Å; I158-Q160 PolarHBondContact O-N 3.23Å; I158-L161 PolarHBondContact O-N 3.47Å; I158-L162 HydrophobicContact CG2-CD1 3.6Å; I158-L162 HydrophobicContact CG2-CG 4.29Å; I158-L162 WeakPolarHBondContact O-CB 3.19Å; I158-L162 VanDerWaalsContact O-CG 3.24Å; I158-L162 WeakPolarHBondContact O-CG 3.47Å; I158-L162 PolarHBondContact O-N 2.97Å; I158-V190 HydrophobicContact CD1-CB 3.97Å; I158-V190 HydrophobicContact CD1-CG1 3.46Å; I158-V190 VanDerWaalsContact CD1-CG1 3.46Å; I158-V190 HydrophobicContact CD1-CG2 3.38Å; I158-V193 HydrophobicContact CG2-CG1 3.86Å; I158-L194 HydrophobicContact CG2-CD2 4.17Å
159R98.5Very high98.2Very high98 Ų9842.2 Ų42.237%0.3724%0.238SC..Hα-helixtrans-62.5-38.5177.5-69.7179.7-170.4-82.14111.9V155 T156 V157 S163 E189 V193V155-R159 WeakPolarHBondContact O-CG 3.18Å; V155-R159 PolarHBondContact O-N 3.06Å; T156-R159 PolarHBondContact O-N 3.07Å; V157-R159 VanDerWaalsContact C-N 3.3Å; V157-R159 PolarHBondContact O-N 2.86Å; R159-S163 WeakPolarHBondContact O-CB 3.32Å; R159-S163 PolarHBondContact O-N 2.89Å; R159-S163 VanDerWaalsContact O-N 3.07Å; R159-S163 PolarHBondContact O-OG 3.15Å; R159-E189 IonicContact NH2-OE1 3.23Å; R159-E189 PolarHBondContact NH2-OE1 2.81Å; R159-V193 HydrophobicContact CG-CG1 4.05Å
160Q98.4Very high98.1Very high43 Ų4344.9 Ų44.920%0.20125%0.25CS..Hα-helixtrans-65.8-48.4176.6-69.8171.6-55.600111.5S122 V125 T156 V157 I158 L162 S163 S164S122-Q160 VanDerWaalsContact CB-OE1 3.25Å; S122-Q160 PolarHBondContact O-NE2 3.11Å; S122-Q160 PolarHBondContact O-OE1 3.15Å; V125-Q160 HydrophobicContact CG1-CB 4.33Å; T156-Q160 WeakPolarHBondContact O-CG 3.27Å; T156-Q160 PolarHBondContact O-N 2.87Å; T156-Q160 VanDerWaalsContact O-N 3.11Å; V157-Q160 WeakPolarHBondContact O-CB 3.32Å; V157-Q160 PolarHBondContact O-N 3.3Å; V157-Q160 VanDerWaalsContact O-N 3.08Å; I158-Q160 VanDerWaalsContact C-N 3.31Å; I158-Q160 PolarHBondContact O-N 3.23Å; Q160-L162 PolarHBondContact O-N 3.05Å; Q160-S163 PolarHBondContact O-N 3.31Å; Q160-S164 WeakPolarHBondContact O-CB 3.29Å; Q160-S164 PolarHBondContact O-N 3.44Å; Q160-S164 PolarHBondContact O-OG 3.49Å
161L98.6Very high97.9Very high0 Ų047.5 Ų47.50%027%0.267CS..Hα-helixtrans-60.2-48178.7-68.8173.4000111.8L113 C117 V125 L129 V135 P145 L146 A149 V157 I158 S163 S164 G165 A166L113-L161 HydrophobicContact CD1-CD2 4.49Å; C117-L161 HydrophobicContact CB-CD1 4.48Å; V125-L161 HydrophobicContact CG1-CD2 4.4Å; L129-L161 HydrophobicContact CD1-CD2 4.44Å; V135-L161 HydrophobicContact CG2-CB 4.43Å; V135-L161 HydrophobicContact CG2-CD2 3.74Å; P145-L161 HydrophobicContact CB-CD1 4.14Å; P145-L161 HydrophobicContact CB-CD2 4.12Å; L146-L161 HydrophobicContact CB-CD1 4.18Å; L146-L161 HydrophobicContact CD1-CB 4.32Å; L146-L161 HydrophobicContact CD1-CD1 4.29Å; A149-L161 HydrophobicContact CB-CD1 4.26Å; V157-L161 HydrophobicContact CG1-CD1 3.8Å; V157-L161 HydrophobicContact CG1-CG 4.15Å; V157-L161 WeakPolarHBondContact O-CG 3.47Å; V157-L161 PolarHBondContact O-N 3.03Å; I158-L161 PolarHBondContact O-N 3.47Å; L161-S163 VanDerWaalsContact C-N 3.3Å; L161-S163 PolarHBondContact O-N 2.99Å; L161-S164 CarbonylContact O-C 3.44Å; L161-S164 WeakPolarHBondContact O-CA 3.48Å; L161-S164 PolarHBondContact O-N 3.23Å; L161-G165 PolarHBondContact O-N 2.99Å; L161-A166 HydrophobicContact CB-CB 3.94Å; L161-A166 WeakPolarHBondContact O-CB 3.44Å; L161-A166 PolarHBondContact O-N 3.46Å
162L98.1Very high97.8Very high18 Ų1848.3 Ų48.39%0.09427%0.268CS..Hα-helixtrans-64.8-34.3178.8-68170.8000112.3L146 I158 Q160 S164 G165 A166 V168 V193 L194 R197L146-L162 HydrophobicContact CD1-CD2 4.18Å; L146-L162 HydrophobicContact CD1-CG 4.08Å; L146-L162 HydrophobicContact CD2-CD2 3.78Å; I158-L162 HydrophobicContact CG2-CD1 3.6Å; I158-L162 HydrophobicContact CG2-CG 4.29Å; I158-L162 WeakPolarHBondContact O-CB 3.19Å; I158-L162 VanDerWaalsContact O-CG 3.24Å; I158-L162 WeakPolarHBondContact O-CG 3.47Å; I158-L162 PolarHBondContact O-N 2.97Å; Q160-L162 PolarHBondContact O-N 3.05Å; L162-S164 PolarHBondContact O-N 3.49Å; L162-G165 PolarHBondContact O-N 3.43Å; L162-A166 HydrophobicContact CD2-CB 4.5Å; L162-V168 HydrophobicContact CD2-CB 3.93Å; L162-V168 HydrophobicContact CD2-CG2 4.12Å; L162-V193 HydrophobicContact CD1-CG1 4.2Å; L162-L194 HydrophobicContact CD1-CD2 4.32Å; L162-R197 HydrophobicContact CD1-CB 3.87Å; L162-R197 HydrophobicContact CD1-CG 3.77Å
163S97.8Very high97.6Very high82 Ų8250.9 Ų50.957%0.57328%0.28SS*.Hα-helixtrans-73.4-20.2174.8-52.10000112.5R159 Q160 L161 G165R159-S163 WeakPolarHBondContact O-CB 3.32Å; R159-S163 PolarHBondContact O-N 2.89Å; R159-S163 VanDerWaalsContact O-N 3.07Å; R159-S163 PolarHBondContact O-OG 3.15Å; Q160-S163 PolarHBondContact O-N 3.31Å; L161-S163 VanDerWaalsContact C-N 3.3Å; L161-S163 PolarHBondContact O-N 2.99Å; S163-G165 VanDerWaalsContact C-N 3.33Å
164S97.7Very high97.3Very high59 Ų5952.4 Ų52.441%0.41328%0.284SS..THydrogen-bonded Turntrans-94.112.6175.7-50.20000112.9Q160 L161 L162Q160-S164 WeakPolarHBondContact O-CB 3.29Å; Q160-S164 PolarHBondContact O-N 3.44Å; Q160-S164 PolarHBondContact O-OG 3.49Å; L161-S164 CarbonylContact O-C 3.44Å; L161-S164 WeakPolarHBondContact O-CA 3.48Å; L161-S164 PolarHBondContact O-N 3.23Å; L162-S164 PolarHBondContact O-N 3.49Å
165G97.1Very high97.1Very high46 Ų4650.8 Ų50.847%0.47428%0.282SS..THydrogen-bonded Turntrans92.98.3173.400000115.7H136 L161 L162 S163 K167H136-G165 PolarHBondContact CE1-O 3.11Å; L161-G165 PolarHBondContact O-N 2.99Å; L162-G165 PolarHBondContact O-N 3.43Å; S163-G165 VanDerWaalsContact C-N 3.33Å; G165-K167 PolarHBondContact O-N 2.94Å
166A97.8Very high97.1Very high11 Ų1149.3 Ų49.39%0.09127%0.273CS..  trans-53.8134.4176.700000112.1V135 L146 L161 L162 V168V135-A166 HydrophobicContact CG2-CB 3.76Å; L146-A166 HydrophobicContact CB-CB 4.35Å; L146-A166 HydrophobicContact CD2-CB 4.27Å; L161-A166 HydrophobicContact CB-CB 3.94Å; L161-A166 WeakPolarHBondContact O-CB 3.44Å; L161-A166 PolarHBondContact O-N 3.46Å; L162-A166 HydrophobicContact CD2-CB 4.5Å; A166-V168 PolarHBondContact O-N 3.1Å
167K97.7Very high97Very high128 Ų12845.4 Ų45.456%0.55725%0.25SS*.  trans-74.7106.5178.9-68.1177.4-174.4175.70109.9G165 N169 H170G165-K167 PolarHBondContact O-N 2.94Å; K167-N169 PolarHBondContact O-N 2.94Å; K167-N169 VanDerWaalsContact O-N 3.16Å; K167-H170 HydrophobicContact CB-CB 4Å; K167-H170 PolarHBondContact O-N 2.7Å
168V97.7Very high96.9Very high20 Ų2045.4 Ų45.412%0.12125%0.25CC..THydrogen-bonded Turntrans-55.5-34.3-174.968.30000114.2L162 A166 L194 A199L162-V168 HydrophobicContact CD2-CB 3.93Å; L162-V168 HydrophobicContact CD2-CG2 4.12Å; A166-V168 PolarHBondContact O-N 3.1Å; V168-L194 HydrophobicContact CG2-CD2 3.95Å; V168-A199 HydrophobicContact CG2-CB 3.79Å
169N96.8Very high96.9Very high66 Ų6645.5 Ų45.535%0.35325%0.251SS..THydrogen-bonded Turntrans-101.97.3-174-69-36.4000114.4K167 P171 G198 A199 D200K167-N169 PolarHBondContact O-N 2.94Å; K167-N169 VanDerWaalsContact O-N 3.16Å; N169-P171 WeakPolarHBondContact O-CD 3.49Å; N169-P171 VanDerWaalsContact O-N 3.13Å; N169-G198 PolarHBondContact ND2-O 3.07Å; N169-G198 VanDerWaalsContact ND2-O 3.08Å; N169-A199 WeakPolarHBondContact OD1-CA 3.34Å; N169-D200 PolarHBondContact OD1-N 2.95Å
170H96.9Very high96.8Very high56 Ų5641.4 Ų41.426%0.25924%0.235SC..  trans-67.1113.9-176.1-164.184.5000110.7Q138 T144 K167 P178Q138-H170 PolarHBondContact NE2-CD2 3.49Å; Q138-H170 PolarHBondContact NE2-CE1 3.11Å; Q138-H170 PolarHBondContact NE2-NE2 2.97Å; T144-H170 HydrophobicContact CG2-CB 4.29Å; K167-H170 HydrophobicContact CB-CB 4Å; K167-H170 PolarHBondContact O-N 2.7Å; H170-P178 WeakPolarHBondContact O-CD 3.47Å
171P95.3Very high96.8Very high54 Ų5440.1 Ų40.135%0.35123%0.229SC..  trans-86.3160.1-176.836.2-32.9000111.3N169 T176N169-P171 WeakPolarHBondContact O-CD 3.49Å; N169-P171 VanDerWaalsContact O-N 3.13Å; P171-T176 WeakPolarHBondContact CA-O 3.48Å
172R95.7Very high96.8Very high61 Ų6140.1 Ų40.123%0.2323%0.229CC..  trans-65.3171.2161.4-79.6-174.760.8172.7-5.1111.8D141 A143 F147 D174 G175 T176D141-R172 VanDerWaalsContact CG-CZ 3.45Å; D141-R172 PolarHBondContact O-NE 3.34Å; D141-R172 IonicContact OD1-NE 3.52Å; D141-R172 IonicContact OD2-CZ 3.74Å; D141-R172 IonicContact OD2-NE 3.36Å; D141-R172 IonicContact OD2-NH1 2.65Å; D141-R172 PolarHBondContact OD2-NH1 2.95Å; D141-R172 IonicContact OD2-NH2 2.94Å; D141-R172 PolarHBondContact OD2-NH2 2.98Å; A143-R172 HydrophobicContact CB-CG 4.12Å; F147-R172 HydrophobicContact CD1-CG 4.44Å; F147-R172 HydrophobicContact CD2-CG 3.95Å; F147-R172 VanDerWaalsContact CE1-CD 3.49Å; F147-R172 HydrophobicContact CE1-CG 4.3Å; F147-R172 HydrophobicContact CE2-CG 3.76Å; F147-R172 HydrophobicContact CG-CG 4.3Å; F147-R172 HydrophobicContact CZ-CG 3.94Å; R172-D174 WeakPolarHBondContact CB-OD1 3.45Å; R172-D174 PolarHBondContact O-N 3.32Å; R172-D174 VanDerWaalsContact O-N 3.13Å; R172-G175 PolarHBondContact O-N 3.5Å; R172-T176 PolarHBondContact N-O 2.92Å
173E94.4Very high96.8Very high131 Ų13139.3 Ų39.361%0.61223%0.225SC*.THydrogen-bonded Turntrans-56.3-30.6177.4-69.7-171.4154.100113.9D141 G175 K206D141-E173 PolarHBondContact O-N 3.31Å; D141-E173 VanDerWaalsContact O-N 3.16Å; E173-G175 PolarHBondContact O-N 3.33Å; E173-K206 WeakPolarHBondContact O-CE 3.37Å; E173-K206 PolarHBondContact O-NZ 3.13Å
174D92.7Very high96.8Very high51 Ų5137.8 Ų37.827%0.27321%0.209SC..THydrogen-bonded Turntrans-84.66.2178.571.9-8.4000114.1R172 T176 R205 K206R172-D174 WeakPolarHBondContact CB-OD1 3.45Å; R172-D174 PolarHBondContact O-N 3.32Å; R172-D174 VanDerWaalsContact O-N 3.13Å; D174-T176 VanDerWaalsContact C-N 3.34Å; D174-T176 WeakPolarHBondContact OD1-CB 3.43Å; D174-T176 PolarHBondContact OD1-N 3.07Å; D174-T176 PolarHBondContact OD1-OG1 3.35Å; D174-T176 PolarHBondContact OD2-OG1 3.11Å; D174-T176 VanDerWaalsContact OD2-OG1 3.13Å; D174-R205 VanDerWaalsContact CG-NH1 3.25Å; D174-R205 IonicContact OD1-NH1 3.66Å; D174-R205 IonicContact OD2-CZ 3.82Å; D174-R205 IonicContact OD2-NH1 2.85Å; D174-R205 PolarHBondContact OD2-NH1 2.79Å; D174-K206 VanDerWaalsContact O-CG 3.31Å; D174-K206 WeakPolarHBondContact O-CG 3.33Å; D174-K206 PolarHBondContact O-N 3.28Å
175G94.4Very high96.8Very high20 Ų2039 Ų3921%0.20621%0.209CC..SBendtrans84.24.6-177.500000113.9R172 E173 A177R172-G175 PolarHBondContact O-N 3.5Å; E173-G175 PolarHBondContact O-N 3.33Å; G175-A177 PolarHBondContact O-N 3.42Å
176T96.5Very high96.8Very high2 Ų237.9 Ų37.91%0.01220%0.197CC..  trans-73.8111.6179.8-50.60000111.2F147 P171 R172 D174 W180 M181 R205F147-T176 HydrophobicContact CE2-CG2 3.81Å; F147-T176 WeakPolarHBondContact CE2-O 3.41Å; F147-T176 HydrophobicContact CZ-CG2 4.12Å; P171-T176 WeakPolarHBondContact CA-O 3.48Å; R172-T176 PolarHBondContact N-O 2.92Å; D174-T176 VanDerWaalsContact C-N 3.34Å; D174-T176 WeakPolarHBondContact OD1-CB 3.43Å; D174-T176 PolarHBondContact OD1-N 3.07Å; D174-T176 PolarHBondContact OD1-OG1 3.35Å; D174-T176 PolarHBondContact OD2-OG1 3.11Å; D174-T176 VanDerWaalsContact OD2-OG1 3.13Å; T176-W180 HydrophobicContact CG2-CB 4.23Å; T176-W180 HydrophobicContact CG2-CD2 3.94Å; T176-W180 HydrophobicContact CG2-CE3 3.31Å; T176-W180 HydrophobicContact CG2-CG 4.32Å; T176-W180 HydrophobicContact CG2-CZ3 3.88Å; T176-M181 HydrophobicContact CG2-CB 4.33Å; T176-M181 HydrophobicContact CG2-CE 4.24Å; T176-R205 PolarHBondContact OG1-NH1 2.66Å
177A96.8Very high96.9Very high7 Ų739.9 Ų39.96%0.05821%0.205CC..  trans-79.1156.8172.700000112.3G175 L179 W180 M181G175-A177 PolarHBondContact O-N 3.42Å; A177-L179 PolarHBondContact O-N 3.02Å; A177-W180 WeakPolarHBondContact O-CB 3.43Å; A177-W180 PolarHBondContact O-N 3.41Å; A177-M181 PolarHBondContact O-N 3.16Å; A177-M181 VanDerWaalsContact O-N 3.16Å
178P98.1Very high96.9Very high0 Ų035.6 Ų35.60%019%0.191CC..Hα-helixtrans-54.7-38.6176.9-27.235.5000113.4L146 F147 H170 W180 M181 A182 L194L146-P178 HydrophobicContact CD2-CG 4.38Å; L146-P178 HydrophobicContact CG-CB 4.49Å; L146-P178 HydrophobicContact CG-CG 4.45Å; F147-P178 HydrophobicContact CB-CG 4.38Å; F147-P178 HydrophobicContact CD2-CG 4.35Å; H170-P178 WeakPolarHBondContact O-CD 3.47Å; P178-W180 PolarHBondContact O-N 3.48Å; P178-M181 PolarHBondContact O-N 3.25Å; P178-A182 WeakPolarHBondContact O-CB 3.48Å; P178-A182 PolarHBondContact O-N 2.73Å; P178-L194 HydrophobicContact CB-CD1 4.25Å
179L97.9Very high96.9Very high3 Ų338.2 Ų38.22%0.01620%0.202CC..Hα-helixtrans-61.9-43.5176.9-175.772.8000112.3A177 M181 A182 A183 V191 L194 L195 A199 D200 R201 A211 L227A177-L179 PolarHBondContact O-N 3.02Å; L179-M181 VanDerWaalsContact C-N 3.33Å; L179-M181 PolarHBondContact O-N 3.4Å; L179-A182 PolarHBondContact O-N 2.98Å; L179-A183 WeakPolarHBondContact O-CB 3.37Å; L179-A183 PolarHBondContact O-N 3.29Å; L179-V191 HydrophobicContact CD1-CB 4.23Å; L179-V191 HydrophobicContact CD1-CG1 3.98Å; L179-V191 HydrophobicContact CD1-CG2 4.22Å; L179-L194 HydrophobicContact CB-CD1 4.31Å; L179-L194 HydrophobicContact CD1-CB 3.95Å; L179-L194 HydrophobicContact CD1-CD1 4.25Å; L179-L195 HydrophobicContact CD1-CD2 4.23Å; L179-L195 HydrophobicContact CD1-CG 4.02Å; L179-L195 HydrophobicContact CD2-CD2 3.9Å; L179-A199 HydrophobicContact CB-CB 4.31Å; L179-A199 HydrophobicContact CD1-CB 4.39Å; L179-A199 HydrophobicContact CD2-CB 4.2Å; L179-D200 WeakPolarHBondContact CD2-O 3.36Å; L179-R201 VanDerWaalsContact CD2-CA 3.49Å; L179-R201 HydrophobicContact CD2-CB 4.47Å; L179-A211 HydrophobicContact CD2-CB 4.35Å; L179-A211 HydrophobicContact CG-CB 4.23Å; L179-L227 HydrophobicContact CD2-CD2 4.33Å
180W97.4Very high97Very high12 Ų1235.1 Ų35.15%0.04519%0.185CC..Hα-helixtrans-62.1-43.8178.2-172.6107.8000110.7T176 A177 P178 A183 Q184 R205 S209 T210 K214T176-W180 HydrophobicContact CG2-CB 4.23Å; T176-W180 HydrophobicContact CG2-CD2 3.94Å; T176-W180 HydrophobicContact CG2-CE3 3.31Å; T176-W180 HydrophobicContact CG2-CG 4.32Å; T176-W180 HydrophobicContact CG2-CZ3 3.88Å; A177-W180 WeakPolarHBondContact O-CB 3.43Å; A177-W180 PolarHBondContact O-N 3.41Å; P178-W180 PolarHBondContact O-N 3.48Å; W180-A183 PolarHBondContact O-N 3.23Å; W180-Q184 HydrophobicContact CE3-CB 4.27Å; W180-Q184 HydrophobicContact CZ3-CB 4.03Å; W180-Q184 HydrophobicContact CZ3-CG 4.49Å; W180-Q184 PolarHBondContact O-N 2.91Å; W180-R205 HydrophobicContact CD2-CG 4.46Å; W180-S209 PolarHBondContact NE1-O 3.31Å; W180-S209 PolarHBondContact NE1-OG 3.48Å; W180-T210 PolarHBondContact NE1-O 3.42Å; W180-K214 HydrophobicContact CH2-CD 4.05Å; W180-K214 HydrophobicContact CH2-CG 4.02Å; W180-K214 HydrophobicContact CZ2-CB 4.02Å; W180-K214 HydrophobicContact CZ2-CD 3.73Å; W180-K214 HydrophobicContact CZ2-CG 3.68Å
181M98Very high97.1Very high16 Ų1632.4 Ų32.48%0.07917%0.173CC..Hα-helixtrans-67.3-43.2179.6-173.255.376.900111.8F147 Q151 T176 A177 P178 L179 A183 Q184 M185F147-M181 HydrophobicContact CE1-CE 4.17Å; F147-M181 HydrophobicContact CE1-CG 4.17Å; F147-M181 HydrophobicContact CE2-CB 3.9Å; F147-M181 HydrophobicContact CE2-CG 4.41Å; F147-M181 HydrophobicContact CZ-CB 3.83Å; F147-M181 HydrophobicContact CZ-CE 3.57Å; F147-M181 HydrophobicContact CZ-CG 3.85Å; Q151-M181 HydrophobicContact CB-CG 3.71Å; Q151-M181 HydrophobicContact CG-CG 3.85Å; Q151-M181 HydrophobicContact CG-SD 4.15Å; T176-M181 HydrophobicContact CG2-CB 4.33Å; T176-M181 HydrophobicContact CG2-CE 4.24Å; A177-M181 PolarHBondContact O-N 3.16Å; A177-M181 VanDerWaalsContact O-N 3.16Å; P178-M181 PolarHBondContact O-N 3.25Å; L179-M181 VanDerWaalsContact C-N 3.33Å; L179-M181 PolarHBondContact O-N 3.4Å; M181-A183 PolarHBondContact O-N 3.19Å; M181-Q184 WeakPolarHBondContact O-CB 3.45Å; M181-Q184 PolarHBondContact O-N 2.89Å; M181-Q184 VanDerWaalsContact O-N 3.14Å; M181-Q184 HydrophobicContact SD-CB 4.36Å; M181-M185 WeakPolarHBondContact O-CG 3.3Å; M181-M185 PolarHBondContact O-N 2.79Å; M181-M185 HydrophobicContact SD-CG 4.14Å
182A98.3Very high97.2Very high0 Ų033.4 Ų33.40%017%0.172CC..Hα-helixtrans-58.3-39173.500000112P178 L179 M185 G186 H187 V190 V191 L194P178-A182 WeakPolarHBondContact O-CB 3.48Å; P178-A182 PolarHBondContact O-N 2.73Å; L179-A182 PolarHBondContact O-N 2.98Å; A182-M185 PolarHBondContact O-N 2.93Å; A182-G186 PolarHBondContact O-N 3.42Å; A182-H187 PolarHBondContact O-N 2.62Å; A182-V190 HydrophobicContact CB-CB 4.15Å; A182-V190 HydrophobicContact CB-CG1 3.48Å; A182-V190 VanDerWaalsContact CB-CG1 3.48Å; A182-V191 HydrophobicContact CB-CG2 3.84Å; A182-L194 HydrophobicContact CB-CD1 4.33Å
183A97.7Very high97.3Very high0 Ų030.5 Ų30.50%016%0.161CC..Hα-helixtrans-69.3-36.1176.300000113.1L179 W180 M181 M185 V191 A211 A215 H220 V223L179-A183 WeakPolarHBondContact O-CB 3.37Å; L179-A183 PolarHBondContact O-N 3.29Å; W180-A183 PolarHBondContact O-N 3.23Å; M181-A183 PolarHBondContact O-N 3.19Å; A183-M185 VanDerWaalsContact C-N 3.33Å; A183-V191 HydrophobicContact CB-CG2 4.33Å; A183-A211 HydrophobicContact CB-CB 3.72Å; A183-A211 WeakPolarHBondContact CB-O 3.07Å; A183-A215 HydrophobicContact CB-CB 4.36Å; A183-H220 PolarHBondContact O-CD2 3.4Å; A183-H220 VanDerWaalsContact O-CD2 3.27Å; A183-V223 HydrophobicContact CB-CG1 3.75Å
184Q97.2Very high97.5Very high51 Ų5124.3 Ų24.324%0.23813%0.132CC..Hα-helixtrans-61.4-42.8171.6171.2170.9-52.500111.9W180 M181 G186 K214 H220W180-Q184 HydrophobicContact CE3-CB 4.27Å; W180-Q184 HydrophobicContact CZ3-CB 4.03Å; W180-Q184 HydrophobicContact CZ3-CG 4.49Å; W180-Q184 PolarHBondContact O-N 2.91Å; M181-Q184 WeakPolarHBondContact O-CB 3.45Å; M181-Q184 PolarHBondContact O-N 2.89Å; M181-Q184 VanDerWaalsContact O-N 3.14Å; M181-Q184 HydrophobicContact SD-CB 4.36Å; Q184-G186 VanDerWaalsContact C-N 3.33Å; Q184-K214 HydrophobicContact CB-CG 3.8Å; Q184-K214 HydrophobicContact CG-CG 4.24Å; Q184-H220 PolarHBondContact O-CD2 3.13Å; Q184-H220 PolarHBondContact O-NE2 3.16Å
185M98.1Very high97.7Very high83 Ų8322.5 Ų22.541%0.40912%0.122SC..Hα-helixtrans-83.6-9.8-174.9-60.9-54.7-68.500113.2Q151 M181 A182 A183Q151-M185 HydrophobicContact CG-CG 4.36Å; Q151-M185 WeakPolarHBondContact O-CG 3.18Å; M181-M185 WeakPolarHBondContact O-CG 3.3Å; M181-M185 PolarHBondContact O-N 2.79Å; M181-M185 HydrophobicContact SD-CG 4.14Å; A182-M185 PolarHBondContact O-N 2.93Å; A183-M185 VanDerWaalsContact C-N 3.33Å
186G98Very high97.8Very high23 Ų2326.6 Ų26.624%0.23714%0.139CC..THydrogen-bonded Turntrans87.115.2174.700000114.5A182 Q184 S188 H220A182-G186 PolarHBondContact O-N 3.42Å; Q184-G186 VanDerWaalsContact C-N 3.33Å; G186-S188 PolarHBondContact O-N 3.29Å; G186-H220 VanDerWaalsContact CA-CD2 3.44Å; G186-H220 WeakPolarHBondContact CA-CD2 3.45Å
187H98.5Very high97.8Very high53 Ų5331.7 Ų31.725%0.24516%0.158CC..  trans-82.878.7-174.3-60.6-43.4000111.7S150 Q151 G153 A182 E189 V190 V191S150-H187 PolarHBondContact O-CD2 2.65Å; Q151-H187 PolarHBondContact O-CD2 3.36Å; Q151-H187 PolarHBondContact O-NE2 2.66Å; G153-H187 WeakPolarHBondContact CA-CD2 3.17Å; G153-H187 PolarHBondContact N-CD2 3.36Å; G153-H187 PolarHBondContact N-NE2 2.95Å; A182-H187 PolarHBondContact O-N 2.62Å; H187-E189 PolarHBondContact O-N 3.49Å; H187-V190 HydrophobicContact CB-CB 3.84Å; H187-V190 HydrophobicContact CB-CG2 3.93Å; H187-V190 WeakPolarHBondContact O-CB 3.41Å; H187-V190 PolarHBondContact O-N 2.91Å; H187-V190 VanDerWaalsContact O-N 3.15Å; H187-V191 WeakPolarHBondContact O-CG2 3.31Å; H187-V191 PolarHBondContact O-N 3.48Å
188S97.9Very high97.7Very high38 Ų3833.7 Ų33.727%0.26618%0.179SC..Hα-helixtrans-58.7-40.8-175.258.30000114.2G186 V190 V191 K192G186-S188 PolarHBondContact O-N 3.29Å; S188-V190 VanDerWaalsContact C-N 3.34Å; S188-V190 PolarHBondContact O-N 3.39Å; S188-V191 WeakPolarHBondContact O-CB 3.49Å; S188-V191 PolarHBondContact O-N 3.22Å; S188-K192 WeakPolarHBondContact O-CB 2.98Å; S188-K192 PolarHBondContact O-N 3.15Å
189E98.3Very high97.6Very high75 Ų7534.2 Ų34.235%0.3518%0.183SC..Hα-helixtrans-68.2-34.6178.1-175.760.7-158.900111.6V155 R159 H187 K192 V193V155-E189 HydrophobicContact CB-CG 4.49Å; V155-E189 HydrophobicContact CG1-CG 4.01Å; V155-E189 HydrophobicContact CG2-CB 3.98Å; V155-E189 HydrophobicContact CG2-CG 3.69Å; R159-E189 IonicContact NH2-OE1 3.23Å; R159-E189 PolarHBondContact NH2-OE1 2.81Å; H187-E189 PolarHBondContact O-N 3.49Å; E189-K192 PolarHBondContact O-N 3.29Å; E189-K192 IonicContact OE2-NZ 3.85Å; E189-V193 VanDerWaalsContact O-CG2 3.32Å; E189-V193 WeakPolarHBondContact O-CG2 3.32Å; E189-V193 PolarHBondContact O-N 2.63Å
190V98.6Very high97.4Very high1 Ų138 Ų381%0.00620%0.203CC..Hα-helixtrans-63.9-47.9172168.50000110.5V155 I158 A182 H187 S188 K192 V193 L194V155-V190 HydrophobicContact CG2-CG2 3.73Å; I158-V190 HydrophobicContact CD1-CB 3.97Å; I158-V190 HydrophobicContact CD1-CG1 3.46Å; I158-V190 VanDerWaalsContact CD1-CG1 3.46Å; I158-V190 HydrophobicContact CD1-CG2 3.38Å; A182-V190 HydrophobicContact CB-CB 4.15Å; A182-V190 HydrophobicContact CB-CG1 3.48Å; A182-V190 VanDerWaalsContact CB-CG1 3.48Å; H187-V190 HydrophobicContact CB-CB 3.84Å; H187-V190 HydrophobicContact CB-CG2 3.93Å; H187-V190 WeakPolarHBondContact O-CB 3.41Å; H187-V190 PolarHBondContact O-N 2.91Å; H187-V190 VanDerWaalsContact O-N 3.15Å; S188-V190 VanDerWaalsContact C-N 3.34Å; S188-V190 PolarHBondContact O-N 3.39Å; V190-K192 VanDerWaalsContact C-N 3.31Å; V190-K192 PolarHBondContact O-N 3.31Å; V190-V193 PolarHBondContact O-N 2.98Å; V190-V193 VanDerWaalsContact O-N 3.15Å; V190-L194 HydrophobicContact CG1-CD1 3.68Å; V190-L194 HydrophobicContact CG1-CG 4.13Å; V190-L194 WeakPolarHBondContact O-CB 3.49Å; V190-L194 WeakPolarHBondContact O-CG 3.46Å; V190-L194 PolarHBondContact O-N 3.33Å
191V98.3Very high97.2Very high0 Ų039.5 Ų39.50%021%0.209CC..Hα-helixtrans-54.2-49.7177164.30000110.5L179 A182 A183 H187 S188 V193 L194 L195 V223 E226 L227L179-V191 HydrophobicContact CD1-CB 4.23Å; L179-V191 HydrophobicContact CD1-CG1 3.98Å; L179-V191 HydrophobicContact CD1-CG2 4.22Å; A182-V191 HydrophobicContact CB-CG2 3.84Å; A183-V191 HydrophobicContact CB-CG2 4.33Å; H187-V191 WeakPolarHBondContact O-CG2 3.31Å; H187-V191 PolarHBondContact O-N 3.48Å; S188-V191 WeakPolarHBondContact O-CB 3.49Å; S188-V191 PolarHBondContact O-N 3.22Å; V191-V193 PolarHBondContact O-N 3.4Å; V191-L194 PolarHBondContact O-N 3.42Å; V191-L195 HydrophobicContact CG1-CD1 3.76Å; V191-L195 HydrophobicContact CG1-CG 4.47Å; V191-L195 WeakPolarHBondContact O-CB 3.45Å; V191-L195 VanDerWaalsContact O-CG 3.25Å; V191-L195 WeakPolarHBondContact O-CG 3.25Å; V191-L195 PolarHBondContact O-N 3.37Å; V191-V223 HydrophobicContact CG1-CG1 4.41Å; V191-V223 HydrophobicContact CG2-CG1 4.03Å; V191-V223 HydrophobicContact CG2-CG2 4.31Å; V191-E226 HydrophobicContact CG1-CB 4.17Å; V191-L227 HydrophobicContact CG1-CD2 3.93Å; V191-L227 HydrophobicContact CG1-CG 3.97Å
192K97.9Very high96.8Very high74 Ų7441.7 Ų41.732%0.32222%0.221SC..Hα-helixtrans-57.3-47.5176.5179.8-177.3174.9-171.40112.3S188 E189 V190 L195 L196 E226S188-K192 WeakPolarHBondContact O-CB 2.98Å; S188-K192 PolarHBondContact O-N 3.15Å; E189-K192 PolarHBondContact O-N 3.29Å; E189-K192 IonicContact OE2-NZ 3.85Å; V190-K192 VanDerWaalsContact C-N 3.31Å; V190-K192 PolarHBondContact O-N 3.31Å; K192-L195 PolarHBondContact O-N 2.88Å; K192-L196 HydrophobicContact CG-CD1 4.06Å; K192-L196 WeakPolarHBondContact O-CB 3.46Å; K192-L196 VanDerWaalsContact O-CG 3.27Å; K192-L196 WeakPolarHBondContact O-CG 3.45Å; K192-L196 PolarHBondContact O-N 3.48Å; K192-E226 HydrophobicContact CB-CG 4.34Å
193V98.1Very high96.4Very high1 Ų142.9 Ų42.91%0.00623%0.231CC..Hα-helixtrans-63.2-43.3179.4170.70000111.9V155 I158 R159 L162 E189 V190 V191 L196 R197V155-V193 HydrophobicContact CG1-CG2 4.09Å; I158-V193 HydrophobicContact CG2-CG1 3.86Å; R159-V193 HydrophobicContact CG-CG1 4.05Å; L162-V193 HydrophobicContact CD1-CG1 4.2Å; E189-V193 VanDerWaalsContact O-CG2 3.32Å; E189-V193 WeakPolarHBondContact O-CG2 3.32Å; E189-V193 PolarHBondContact O-N 2.63Å; V190-V193 PolarHBondContact O-N 2.98Å; V190-V193 VanDerWaalsContact O-N 3.15Å; V191-V193 PolarHBondContact O-N 3.4Å; V193-L196 PolarHBondContact O-N 3.33Å; V193-R197 WeakPolarHBondContact O-CB 3.36Å; V193-R197 VanDerWaalsContact O-CG 3.25Å; V193-R197 WeakPolarHBondContact O-CG 3.3Å; V193-R197 PolarHBondContact O-N 2.9Å; V193-R197 VanDerWaalsContact O-N 3.15Å
194L98Very high96Very high0 Ų045.1 Ų45.10%024%0.243CC..Hα-helixtrans-62.4-46.7178-70.7174.1000110.9L146 I158 L162 V168 P178 L179 A182 V190 V191 L196 R197 G198 A199L146-L194 HydrophobicContact CD1-CD2 4.3Å; L146-L194 HydrophobicContact CD2-CD2 4.42Å; I158-L194 HydrophobicContact CG2-CD2 4.17Å; L162-L194 HydrophobicContact CD1-CD2 4.32Å; V168-L194 HydrophobicContact CG2-CD2 3.95Å; P178-L194 HydrophobicContact CB-CD1 4.25Å; L179-L194 HydrophobicContact CB-CD1 4.31Å; L179-L194 HydrophobicContact CD1-CB 3.95Å; L179-L194 HydrophobicContact CD1-CD1 4.25Å; A182-L194 HydrophobicContact CB-CD1 4.33Å; V190-L194 HydrophobicContact CG1-CD1 3.68Å; V190-L194 HydrophobicContact CG1-CG 4.13Å; V190-L194 WeakPolarHBondContact O-CB 3.49Å; V190-L194 WeakPolarHBondContact O-CG 3.46Å; V190-L194 PolarHBondContact O-N 3.33Å; V191-L194 PolarHBondContact O-N 3.42Å; L194-L196 PolarHBondContact O-N 3.16Å; L194-R197 CarbonylContact O-C 3.57Å; L194-R197 WeakPolarHBondContact O-CA 3.49Å; L194-R197 PolarHBondContact O-N 3.27Å; L194-G198 PolarHBondContact O-N 3.5Å; L194-A199 VanDerWaalsContact C-CB 3.41Å; L194-A199 HydrophobicContact CB-CB 3.85Å; L194-A199 WeakPolarHBondContact O-CB 3.18Å; L194-A199 PolarHBondContact O-N 3Å
195L96.8Very high95.7Very high13 Ų1345 Ų457%0.06824%0.24CC..Hα-helixtrans-60.6-45.8177.1-69.1167.8000112.2L179 V191 K192 R197 G198 R201 L227 F230L179-L195 HydrophobicContact CD1-CD2 4.23Å; L179-L195 HydrophobicContact CD1-CG 4.02Å; L179-L195 HydrophobicContact CD2-CD2 3.9Å; V191-L195 HydrophobicContact CG1-CD1 3.76Å; V191-L195 HydrophobicContact CG1-CG 4.47Å; V191-L195 WeakPolarHBondContact O-CB 3.45Å; V191-L195 VanDerWaalsContact O-CG 3.25Å; V191-L195 WeakPolarHBondContact O-CG 3.25Å; V191-L195 PolarHBondContact O-N 3.37Å; K192-L195 PolarHBondContact O-N 2.88Å; L195-R197 PolarHBondContact O-N 3.44Å; L195-R197 VanDerWaalsContact O-N 3.11Å; L195-G198 PolarHBondContact O-N 2.95Å; L195-R201 HydrophobicContact CD2-CB 3.66Å; L195-R201 HydrophobicContact CD2-CG 4.04Å; L195-L227 HydrophobicContact CD1-CD2 4.09Å; L195-F230 HydrophobicContact CB-CD1 3.95Å; L195-F230 HydrophobicContact CB-CD2 4.05Å; L195-F230 HydrophobicContact CB-CE1 3.82Å; L195-F230 HydrophobicContact CB-CE2 3.93Å; L195-F230 HydrophobicContact CB-CG 4.06Å; L195-F230 HydrophobicContact CB-CZ 3.82Å; L195-F230 HydrophobicContact CD1-CB 4.48Å; L195-F230 HydrophobicContact CD1-CD2 3.53Å; L195-F230 HydrophobicContact CD1-CE2 3.87Å; L195-F230 HydrophobicContact CD1-CG 4Å; L195-F230 HydrophobicContact CG-CD2 4.33Å; L195-F230 HydrophobicContact CG-CG 4.42Å
196L96.9Very high95.4Very high106 Ų10649.1 Ų49.156%0.55526%0.256SS*.Hα-helixtrans-61.3-19.8175.1-72.7173.1000113.3K192 V193 L194 F230K192-L196 HydrophobicContact CG-CD1 4.06Å; K192-L196 WeakPolarHBondContact O-CB 3.46Å; K192-L196 VanDerWaalsContact O-CG 3.27Å; K192-L196 WeakPolarHBondContact O-CG 3.45Å; K192-L196 PolarHBondContact O-N 3.48Å; V193-L196 PolarHBondContact O-N 3.33Å; L194-L196 PolarHBondContact O-N 3.16Å; L196-F230 HydrophobicContact CD2-CE1 4.06Å; L196-F230 HydrophobicContact CD2-CZ 3.8Å; L196-F230 HydrophobicContact CG-CE1 4.46Å; L196-F230 HydrophobicContact CG-CZ 3.98Å
197R96.8Very high95Very high109 Ų10951.8 Ų51.841%0.41127%0.265SS..THydrogen-bonded Turntrans-104.117.6178.9-65.5-67.8-165.7105.9-0.3112.7L162 V193 L194 L195L162-R197 HydrophobicContact CD1-CB 3.87Å; L162-R197 HydrophobicContact CD1-CG 3.77Å; V193-R197 WeakPolarHBondContact O-CB 3.36Å; V193-R197 VanDerWaalsContact O-CG 3.25Å; V193-R197 WeakPolarHBondContact O-CG 3.3Å; V193-R197 PolarHBondContact O-N 2.9Å; V193-R197 VanDerWaalsContact O-N 3.15Å; L194-R197 CarbonylContact O-C 3.57Å; L194-R197 WeakPolarHBondContact O-CA 3.49Å; L194-R197 PolarHBondContact O-N 3.27Å; L195-R197 PolarHBondContact O-N 3.44Å; L195-R197 VanDerWaalsContact O-N 3.11Å
198G94.9Very high94.6Very high49 Ų4949.5 Ų49.551%0.50526%0.255SS..THydrogen-bonded Turntrans84.924.1172.500000114.4N169 L194 L195 D200N169-G198 PolarHBondContact ND2-O 3.07Å; N169-G198 VanDerWaalsContact ND2-O 3.08Å; L194-G198 PolarHBondContact O-N 3.5Å; L195-G198 PolarHBondContact O-N 2.95Å; G198-D200 PolarHBondContact O-N 2.96Å
199A96.1Very high94.3Very high11 Ų1148 Ų489%0.09125%0.245CC..  trans-60.1134.4169.500000110.5V168 N169 L179 L194 R201V168-A199 HydrophobicContact CG2-CB 3.79Å; N169-A199 WeakPolarHBondContact OD1-CA 3.34Å; L179-A199 HydrophobicContact CB-CB 4.31Å; L179-A199 HydrophobicContact CD1-CB 4.39Å; L179-A199 HydrophobicContact CD2-CB 4.2Å; L194-A199 VanDerWaalsContact C-CB 3.41Å; L194-A199 HydrophobicContact CB-CB 3.85Å; L194-A199 WeakPolarHBondContact O-CB 3.18Å; L194-A199 PolarHBondContact O-N 3Å; A199-R201 PolarHBondContact O-N 3.14Å; A199-R201 VanDerWaalsContact O-N 3.1Å
200D94.1Very high94.1Very high82 Ų8244.9 Ų44.944%0.43923%0.231SC..  trans-70.7106.3170.6-178.4-0.1000108.5N169 L179 G198 D202 A203N169-D200 PolarHBondContact OD1-N 2.95Å; L179-D200 WeakPolarHBondContact CD2-O 3.36Å; G198-D200 PolarHBondContact O-N 2.96Å; D200-D202 VanDerWaalsContact C-N 3.27Å; D200-D202 PolarHBondContact O-N 3.31Å; D200-D202 PolarHBondContact OD1-N 3.41Å; D200-A203 HydrophobicContact CB-CB 3.98Å; D200-A203 WeakPolarHBondContact O-CB 3.36Å; D200-A203 PolarHBondContact O-N 3.17Å; D200-A203 PolarHBondContact OD1-N 3Å
201R91.6Very high93.9Very high45 Ų4544.9 Ų44.917%0.1723%0.231CC..THydrogen-bonded Turntrans-61.9-35.2-178.6178.8-16055.4-132-5.6112.7L179 L195 A199 L227 F230 S231 P232L179-R201 VanDerWaalsContact CD2-CA 3.49Å; L179-R201 HydrophobicContact CD2-CB 4.47Å; L195-R201 HydrophobicContact CD2-CB 3.66Å; L195-R201 HydrophobicContact CD2-CG 4.04Å; A199-R201 PolarHBondContact O-N 3.14Å; A199-R201 VanDerWaalsContact O-N 3.1Å; R201-L227 HydrophobicContact CG-CD2 3.92Å; R201-F230 PolarHBondContact NH1-O 2.96Å; R201-S231 PolarHBondContact NH1-O 3.4Å; R201-S231 PolarHBondContact NH2-O 2.97Å; R201-P232 VanDerWaalsContact CD-CD 3.48Å; R201-P232 VanDerWaalsContact CZ-CA 3.5Å; R201-P232 VanDerWaalsContact CZ-CG 3.42Å
202D89.7Confident93.7Very high61 Ų6145.6 Ų45.633%0.32624%0.235SC..THydrogen-bonded Turntrans-1025.7-172.4-54.6-36.6000112.7D200 D204 P232D200-D202 VanDerWaalsContact C-N 3.27Å; D200-D202 PolarHBondContact O-N 3.31Å; D200-D202 PolarHBondContact OD1-N 3.41Å; D202-D204 PolarHBondContact O-N 2.84Å; D202-D204 VanDerWaalsContact O-N 3.17Å; D202-P232 WeakPolarHBondContact OD1-CB 3.26Å; D202-P232 WeakPolarHBondContact OD1-CG 3.38Å; D202-P232 WeakPolarHBondContact OD2-CB 3.22Å
203A90.3Very high93.5Very high25 Ų2543.3 Ų43.321%0.20723%0.225CC..  trans-50.5124.7171.700000109.9D200D200-A203 HydrophobicContact CB-CB 3.98Å; D200-A203 WeakPolarHBondContact O-CB 3.36Å; D200-A203 PolarHBondContact O-N 3.17Å; D200-A203 PolarHBondContact OD1-N 3Å
204D89Confident93.4Very high47 Ų4745.6 Ų45.625%0.25124%0.235SC..BIsolated β-bridgetrans-106.4145.5-179.363.3-40.3000111.3D202 S209 T210 K238D202-D204 PolarHBondContact O-N 2.84Å; D202-D204 VanDerWaalsContact O-N 3.17Å; D204-S209 WeakPolarHBondContact CA-O 3.43Å; D204-T210 HydrophobicContact CB-CG2 4.17Å; D204-K238 IonicContact OD1-NZ 2.73Å; D204-K238 PolarHBondContact OD1-NZ 3.35Å; D204-K238 WeakPolarHBondContact OD2-CD 3.46Å; D204-K238 WeakPolarHBondContact OD2-CE 3.49Å; D204-K238 IonicContact OD2-NZ 2.79Å; D204-K238 PolarHBondContact OD2-NZ 3.04Å
205R92.6Very high93.3Very high49 Ų4945.6 Ų45.619%0.18524%0.235CC..  trans-67.2171.6167.5-89.8168.651.179.66.5110.9D174 T176 W180 D207 G208 S209D174-R205 VanDerWaalsContact CG-NH1 3.25Å; D174-R205 IonicContact OD1-NH1 3.66Å; D174-R205 IonicContact OD2-CZ 3.82Å; D174-R205 IonicContact OD2-NH1 2.85Å; D174-R205 PolarHBondContact OD2-NH1 2.79Å; T176-R205 PolarHBondContact OG1-NH1 2.66Å; W180-R205 HydrophobicContact CD2-CG 4.46Å; R205-D207 VanDerWaalsContact CB-OD1 3.23Å; R205-D207 WeakPolarHBondContact CB-OD1 3.43Å; R205-D207 IonicContact CZ-OD2 3.84Å; R205-D207 IonicContact NE-OD1 2.92Å; R205-D207 IonicContact NE-OD2 2.66Å; R205-D207 PolarHBondContact NE-OD2 2.85Å; R205-D207 IonicContact NH2-OD2 3.33Å; R205-D207 PolarHBondContact NH2-OD2 2.92Å; R205-D207 PolarHBondContact O-N 3.08Å; R205-D207 VanDerWaalsContact O-N 3.08Å; R205-G208 WeakPolarHBondContact O-CA 3.18Å; R205-G208 PolarHBondContact O-N 2.67Å; R205-S209 PolarHBondContact N-O 3.27Å
206K90.9Very high93.2Very high169 Ų16945 Ų4574%0.73523%0.232SC*.THydrogen-bonded Turntrans-55-26170.9-71.4-179.6-175.9178.80114.2E173 D174 G208E173-K206 WeakPolarHBondContact O-CE 3.37Å; E173-K206 PolarHBondContact O-NZ 3.13Å; D174-K206 VanDerWaalsContact O-CG 3.31Å; D174-K206 WeakPolarHBondContact O-CG 3.33Å; D174-K206 PolarHBondContact O-N 3.28Å; K206-G208 VanDerWaalsContact C-N 3.28Å
207D89.2Confident93.2Very high80 Ų8043.7 Ų43.743%0.42822%0.222SC..THydrogen-bonded Turntrans-82.8-0.7175.560.423.2000113.9R205 S209 N239R205-D207 VanDerWaalsContact CB-OD1 3.23Å; R205-D207 WeakPolarHBondContact CB-OD1 3.43Å; R205-D207 IonicContact CZ-OD2 3.84Å; R205-D207 IonicContact NE-OD1 2.92Å; R205-D207 IonicContact NE-OD2 2.66Å; R205-D207 PolarHBondContact NE-OD2 2.85Å; R205-D207 IonicContact NH2-OD2 3.33Å; R205-D207 PolarHBondContact NH2-OD2 2.92Å; R205-D207 PolarHBondContact O-N 3.08Å; R205-D207 VanDerWaalsContact O-N 3.08Å; D207-S209 VanDerWaalsContact C-N 3.32Å; D207-S209 VanDerWaalsContact OD1-CB 3.22Å; D207-S209 WeakPolarHBondContact OD1-CB 3.21Å; D207-S209 PolarHBondContact OD1-N 3.15Å; D207-S209 PolarHBondContact OD1-OG 3.44Å; D207-N239 VanDerWaalsContact O-CB 3.26Å; D207-N239 WeakPolarHBondContact O-CB 3.44Å
208G89.7Confident93.1Very high4 Ų443.7 Ų43.74%0.04123%0.225CC..SBendtrans77.79.7-178.800000114.8R205 K206R205-G208 WeakPolarHBondContact O-CA 3.18Å; R205-G208 PolarHBondContact O-N 2.67Å; K206-G208 VanDerWaalsContact C-N 3.28Å
209S91.9Very high93.2Very high7 Ų742 Ų425%0.04921%0.208CC..  trans-85.2138.2175.169.60000112.3W180 D204 R205 D207W180-S209 PolarHBondContact NE1-O 3.31Å; W180-S209 PolarHBondContact NE1-OG 3.48Å; D204-S209 WeakPolarHBondContact CA-O 3.43Å; R205-S209 PolarHBondContact N-O 3.27Å; D207-S209 VanDerWaalsContact C-N 3.32Å; D207-S209 VanDerWaalsContact OD1-CB 3.22Å; D207-S209 WeakPolarHBondContact OD1-CB 3.21Å; D207-S209 PolarHBondContact OD1-N 3.15Å; D207-S209 PolarHBondContact OD1-OG 3.44Å
210T94Very high93.3Very high9 Ų944.1 Ų44.16%0.05522%0.215CC..BIsolated β-bridgetrans-101.3169.1176.761.50000111.9W180 D204 L212 F213 K214 L237W180-T210 PolarHBondContact NE1-O 3.42Å; D204-T210 HydrophobicContact CB-CG2 4.17Å; T210-L212 VanDerWaalsContact C-N 3.25Å; T210-L212 PolarHBondContact O-N 3.28Å; T210-F213 WeakPolarHBondContact O-CB 3.23Å; T210-F213 PolarHBondContact O-N 3.36Å; T210-F213 PolarHBondContact OG1-N 3.02Å; T210-K214 PolarHBondContact O-N 3.36Å; T210-K214 VanDerWaalsContact O-N 3.1Å; T210-L237 HydrophobicContact CG2-CD2 3.73Å
211A94.9Very high93.4Very high2 Ų242.2 Ų42.22%0.01721%0.205CC..Hα-helixtrans-54.8-42.5174.100000111.9L179 A183 K214 A215 L227L179-A211 HydrophobicContact CD2-CB 4.35Å; L179-A211 HydrophobicContact CG-CB 4.23Å; A183-A211 HydrophobicContact CB-CB 3.72Å; A183-A211 WeakPolarHBondContact CB-O 3.07Å; A211-K214 PolarHBondContact O-N 3.5Å; A211-A215 WeakPolarHBondContact O-CB 3.48Å; A211-A215 PolarHBondContact O-N 3.1Å; A211-L227 HydrophobicContact CB-CD1 4.23Å; A211-L227 HydrophobicContact CB-CD2 4.32Å
212L94.8Very high93.7Very high14 Ų1442.3 Ų42.37%0.07322%0.216CC..Hα-helixtrans-64.2-44.3178.1-177.364000112.2T210 K214 A215 A216 I224 L227 L234 A243 L259T210-L212 VanDerWaalsContact C-N 3.25Å; T210-L212 PolarHBondContact O-N 3.28Å; L212-K214 VanDerWaalsContact C-N 3.29Å; L212-K214 PolarHBondContact O-N 3.4Å; L212-A215 PolarHBondContact O-N 2.89Å; L212-A216 VanDerWaalsContact O-CB 3.26Å; L212-A216 WeakPolarHBondContact O-CB 3.37Å; L212-A216 PolarHBondContact O-N 2.88Å; L212-I224 HydrophobicContact CD1-CB 4.4Å; L212-I224 HydrophobicContact CD1-CG1 4.29Å; L212-I224 HydrophobicContact CD1-CG2 4.03Å; L212-L227 HydrophobicContact CB-CD1 4.07Å; L212-L227 HydrophobicContact CD1-CB 4.24Å; L212-L227 HydrophobicContact CD1-CD1 4.11Å; L212-L234 HydrophobicContact CD2-CD2 3.36Å; L212-A243 HydrophobicContact CD2-CB 3.85Å; L212-A243 HydrophobicContact CG-CB 3.8Å; L212-L259 HydrophobicContact CD1-CD2 4.33Å; L212-L259 HydrophobicContact CD2-CD2 4.46Å
213F94.1Very high94Very high27 Ų2739.5 Ų39.512%0.11820%0.201CC..Hα-helixtrans-55.8-47.3175.7-176.8-87.8000111T210 A216 F217 L237 A246 M249T210-F213 WeakPolarHBondContact O-CB 3.23Å; T210-F213 PolarHBondContact O-N 3.36Å; T210-F213 PolarHBondContact OG1-N 3.02Å; F213-A216 PolarHBondContact O-N 3.37Å; F213-F217 WeakPolarHBondContact O-CB 3.41Å; F213-F217 PolarHBondContact O-N 2.93Å; F213-L237 HydrophobicContact CB-CD1 3.59Å; F213-L237 HydrophobicContact CD2-CD1 3.42Å; F213-L237 VanDerWaalsContact CD2-CD1 3.42Å; F213-L237 HydrophobicContact CE2-CD1 4.4Å; F213-L237 HydrophobicContact CG-CD1 3.83Å; F213-A246 HydrophobicContact CD1-CB 4.2Å; F213-A246 HydrophobicContact CD2-CB 3.61Å; F213-A246 HydrophobicContact CE1-CB 4.19Å; F213-A246 HydrophobicContact CE2-CB 3.63Å; F213-A246 HydrophobicContact CG-CB 3.92Å; F213-A246 HydrophobicContact CZ-CB 3.92Å; F213-A246 VanDerWaalsContact O-CB 3.29Å; F213-A246 WeakPolarHBondContact O-CB 3.16Å; F213-M249 HydrophobicContact CE2-CE 4.34Å; F213-M249 HydrophobicContact CZ-CE 3.98Å
214K95.3Very high94.3Very high48 Ų4838.3 Ų38.321%0.20919%0.191CC..Hα-helixtrans-69.7-41.2-177-164.462.1167.1-167.80112.4W180 Q184 T210 A211 L212 F217 K218W180-K214 HydrophobicContact CH2-CD 4.05Å; W180-K214 HydrophobicContact CH2-CG 4.02Å; W180-K214 HydrophobicContact CZ2-CB 4.02Å; W180-K214 HydrophobicContact CZ2-CD 3.73Å; W180-K214 HydrophobicContact CZ2-CG 3.68Å; Q184-K214 HydrophobicContact CB-CG 3.8Å; Q184-K214 HydrophobicContact CG-CG 4.24Å; T210-K214 PolarHBondContact O-N 3.36Å; T210-K214 VanDerWaalsContact O-N 3.1Å; A211-K214 PolarHBondContact O-N 3.5Å; L212-K214 VanDerWaalsContact C-N 3.29Å; L212-K214 PolarHBondContact O-N 3.4Å; K214-F217 PolarHBondContact O-N 3.22Å; K214-K218 PolarHBondContact O-N 3.21Å
215A96.1Very high94.5Very high0 Ų040.3 Ų40.30%020%0.199CC..Hα-helixtrans-61.8-42.3175.100000112A183 A211 L212 K218 G219 H220 V223 I224 L227A183-A215 HydrophobicContact CB-CB 4.36Å; A211-A215 WeakPolarHBondContact O-CB 3.48Å; A211-A215 PolarHBondContact O-N 3.1Å; L212-A215 PolarHBondContact O-N 2.89Å; A215-K218 PolarHBondContact O-N 3.35Å; A215-G219 PolarHBondContact O-N 3.2Å; A215-H220 HydrophobicContact CB-CB 4.34Å; A215-H220 PolarHBondContact O-N 2.95Å; A215-V223 HydrophobicContact CB-CB 4.13Å; A215-V223 HydrophobicContact CB-CG1 3.56Å; A215-I224 HydrophobicContact CB-CG1 3.92Å; A215-L227 HydrophobicContact CB-CD1 4.46Å
216A95.1Very high94.7Very high0 Ų039.2 Ų39.20%020%0.196CC..Hα-helixtrans-62.5-45.6175.100000112.2L212 F213 K218 G219 I224 A243 A246 A247 N252 L259L212-A216 VanDerWaalsContact O-CB 3.26Å; L212-A216 WeakPolarHBondContact O-CB 3.37Å; L212-A216 PolarHBondContact O-N 2.88Å; F213-A216 PolarHBondContact O-N 3.37Å; A216-K218 VanDerWaalsContact C-N 3.29Å; A216-K218 PolarHBondContact O-N 3.34Å; A216-G219 PolarHBondContact O-N 2.99Å; A216-I224 HydrophobicContact CB-CD1 4.27Å; A216-A243 HydrophobicContact CB-CB 4.42Å; A216-A243 WeakPolarHBondContact CB-O 3.49Å; A216-A246 HydrophobicContact CB-CB 4.06Å; A216-A247 HydrophobicContact CB-CB 4.12Å; A216-A247 WeakPolarHBondContact O-CA 3.39Å; A216-N252 PolarHBondContact O-ND2 3Å; A216-L259 HydrophobicContact CB-CD1 4.05Å
217F95.1Very high94.8Very high79 Ų7931.3 Ų31.335%0.34616%0.161SC..Hα-helixtrans-61.8-35.8176.8-174.5-96.4000113F213 K214 A246 M249 G250 N252F213-F217 WeakPolarHBondContact O-CB 3.41Å; F213-F217 PolarHBondContact O-N 2.93Å; K214-F217 PolarHBondContact O-N 3.22Å; F217-A246 WeakPolarHBondContact CA-O 3.41Å; F217-A246 HydrophobicContact CB-CB 4.05Å; F217-M249 HydrophobicContact CD2-CB 4.11Å; F217-M249 HydrophobicContact CE2-CB 3.93Å; F217-G250 WeakPolarHBondContact O-CA 3.13Å; F217-N252 PolarHBondContact O-ND2 3.16Å
218K96.4Very high94.9Very high109 Ų10929.3 Ų29.347%0.47415%0.151SC..Hα-helixtrans-88.2-11.4179.8-71.2-68.7-169.9173.90114.3K214 A215 A216K214-K218 PolarHBondContact O-N 3.21Å; A215-K218 PolarHBondContact O-N 3.35Å; A216-K218 VanDerWaalsContact C-N 3.29Å; A216-K218 PolarHBondContact O-N 3.34Å
219G96.3Very high95Very high14 Ų1435.6 Ų35.614%0.14418%0.177CC..THydrogen-bonded Turntrans82.120.1179.200000114.6A215 A216 N221 N252 S255A215-G219 PolarHBondContact O-N 3.2Å; A216-G219 PolarHBondContact O-N 2.99Å; G219-N221 VanDerWaalsContact C-N 3.28Å; G219-N221 PolarHBondContact O-N 3.33Å; G219-N221 PolarHBondContact O-ND2 3.36Å; G219-N221 VanDerWaalsContact O-ND2 3.16Å; G219-N252 WeakPolarHBondContact CA-ND2 3.31Å; G219-N252 WeakPolarHBondContact CA-OD1 3.48Å; G219-N252 PolarHBondContact N-ND2 3.03Å; G219-N252 VanDerWaalsContact N-ND2 3.11Å; G219-S255 WeakPolarHBondContact CA-OG 3.47Å
220H97.8Very high94.8Very high55 Ų5538.8 Ų38.826%0.25519%0.19SC..  trans-79.174-176.1-66.4-37.9000111.5A183 Q184 G186 A215 A222 V223 I224A183-H220 PolarHBondContact O-CD2 3.4Å; A183-H220 VanDerWaalsContact O-CD2 3.27Å; Q184-H220 PolarHBondContact O-CD2 3.13Å; Q184-H220 PolarHBondContact O-NE2 3.16Å; G186-H220 VanDerWaalsContact CA-CD2 3.44Å; G186-H220 WeakPolarHBondContact CA-CD2 3.45Å; A215-H220 HydrophobicContact CB-CB 4.34Å; A215-H220 PolarHBondContact O-N 2.95Å; H220-A222 VanDerWaalsContact C-N 3.34Å; H220-A222 PolarHBondContact O-N 3.37Å; H220-V223 HydrophobicContact CB-CB 4.07Å; H220-V223 HydrophobicContact CB-CG2 4.17Å; H220-V223 WeakPolarHBondContact O-CB 3.5Å; H220-V223 PolarHBondContact O-N 2.98Å; H220-I224 WeakPolarHBondContact O-CG1 3.34Å; H220-I224 PolarHBondContact O-N 3.1Å
221N96.6Very high93.8Very high42 Ų4242.8 Ų42.823%0.22522%0.218CC..Hα-helixtrans-55.5-42.6-172.3-58.9-54.6000113.6G219 V223 I224 E225 S255 L258G219-N221 VanDerWaalsContact C-N 3.28Å; G219-N221 PolarHBondContact O-N 3.33Å; G219-N221 PolarHBondContact O-ND2 3.36Å; G219-N221 VanDerWaalsContact O-ND2 3.16Å; N221-V223 VanDerWaalsContact C-N 3.3Å; N221-V223 PolarHBondContact O-N 3.27Å; N221-I224 WeakPolarHBondContact O-CB 3.4Å; N221-I224 PolarHBondContact O-N 2.96Å; N221-I224 VanDerWaalsContact O-N 3.17Å; N221-E225 WeakPolarHBondContact O-CG 3.44Å; N221-E225 PolarHBondContact O-N 3.31Å; N221-S255 WeakPolarHBondContact OD1-CA 3.25Å; N221-S255 PolarHBondContact OD1-N 3.3Å; N221-S255 VanDerWaalsContact OD1-N 3.16Å; N221-S255 PolarHBondContact OD1-OG 3.11Å; N221-L258 HydrophobicContact CB-CD1 3.7Å
222A97.5Very high92.2Very high48 Ų4843.7 Ų43.740%0.39722%0.224SC..Hα-helixtrans-64.1-35.2178.500000112.5H220 E226H220-A222 VanDerWaalsContact C-N 3.34Å; H220-A222 PolarHBondContact O-N 3.37Å; A222-E226 WeakPolarHBondContact O-CG 3.41Å; A222-E226 PolarHBondContact O-N 3.26Å; A222-E226 VanDerWaalsContact O-N 3.1Å
223V97.1Very high91.1Very high1 Ų148 Ų481%0.00626%0.255CS..Hα-helixtrans-68.2-42.8173.8168.30000110.6A183 V191 A215 H220 N221 E225 E226 L227A183-V223 HydrophobicContact CB-CG1 3.75Å; V191-V223 HydrophobicContact CG1-CG1 4.41Å; V191-V223 HydrophobicContact CG2-CG1 4.03Å; V191-V223 HydrophobicContact CG2-CG2 4.31Å; A215-V223 HydrophobicContact CB-CB 4.13Å; A215-V223 HydrophobicContact CB-CG1 3.56Å; H220-V223 HydrophobicContact CB-CB 4.07Å; H220-V223 HydrophobicContact CB-CG2 4.17Å; H220-V223 WeakPolarHBondContact O-CB 3.5Å; H220-V223 PolarHBondContact O-N 2.98Å; N221-V223 VanDerWaalsContact C-N 3.3Å; N221-V223 PolarHBondContact O-N 3.27Å; V223-E225 VanDerWaalsContact C-N 3.35Å; V223-E226 PolarHBondContact O-N 3.23Å; V223-L227 HydrophobicContact CG1-CD1 3.67Å; V223-L227 HydrophobicContact CG1-CG 4.23Å; V223-L227 WeakPolarHBondContact O-CB 3.5Å; V223-L227 WeakPolarHBondContact O-CG 3.21Å; V223-L227 PolarHBondContact O-N 2.87Å
224I95.4Very high90.3Very high0 Ų048 Ų480%026%0.257CS..Hα-helixtrans-58.9-49.2177.3-64.2168.4000109.7L212 A215 A216 H220 N221 E226 L227 L228 S255 L258 L259L212-I224 HydrophobicContact CD1-CB 4.4Å; L212-I224 HydrophobicContact CD1-CG1 4.29Å; L212-I224 HydrophobicContact CD1-CG2 4.03Å; A215-I224 HydrophobicContact CB-CG1 3.92Å; A216-I224 HydrophobicContact CB-CD1 4.27Å; H220-I224 WeakPolarHBondContact O-CG1 3.34Å; H220-I224 PolarHBondContact O-N 3.1Å; N221-I224 WeakPolarHBondContact O-CB 3.4Å; N221-I224 PolarHBondContact O-N 2.96Å; N221-I224 VanDerWaalsContact O-N 3.17Å; I224-E226 VanDerWaalsContact C-N 3.33Å; I224-E226 PolarHBondContact O-N 2.62Å; I224-L227 PolarHBondContact O-N 3.45Å; I224-L228 HydrophobicContact CG2-CD1 3.7Å; I224-L228 HydrophobicContact CG2-CG 4.14Å; I224-L228 WeakPolarHBondContact O-CB 3.45Å; I224-L228 WeakPolarHBondContact O-CG 3.2Å; I224-L228 PolarHBondContact O-N 3.44Å; I224-S255 WeakPolarHBondContact CD1-OG 3.41Å; I224-L258 HydrophobicContact CG2-CB 4.39Å; I224-L259 HydrophobicContact CG2-CD2 4.23Å
225E94.8Very high89.3Confident90 Ų9047 Ų4742%0.42126%0.26SS..Hα-helixtrans-57.1-44.5176.9-72.8171.9-166.800112.1N221 V223 L228 K229 L258N221-E225 WeakPolarHBondContact O-CG 3.44Å; N221-E225 PolarHBondContact O-N 3.31Å; V223-E225 VanDerWaalsContact C-N 3.35Å; E225-L228 PolarHBondContact O-N 2.77Å; E225-K229 WeakPolarHBondContact O-CG 3.42Å; E225-K229 PolarHBondContact O-N 3.17Å; E225-L258 HydrophobicContact CG-CD1 4.13Å; E225-L258 HydrophobicContact CG-CD2 4.12Å
226E94.9Very high88.5Confident26 Ų2651.6 Ų51.612%0.12128%0.284CS..Hα-helixtrans-63.8-44.9175.4-71.3-57.5141.700112.2V191 K192 A222 V223 I224 L228 K229 F230V191-E226 HydrophobicContact CG1-CB 4.17Å; K192-E226 HydrophobicContact CB-CG 4.34Å; A222-E226 WeakPolarHBondContact O-CG 3.41Å; A222-E226 PolarHBondContact O-N 3.26Å; A222-E226 VanDerWaalsContact O-N 3.1Å; V223-E226 PolarHBondContact O-N 3.23Å; I224-E226 VanDerWaalsContact C-N 3.33Å; I224-E226 PolarHBondContact O-N 2.62Å; E226-L228 VanDerWaalsContact C-N 3.33Å; E226-L228 PolarHBondContact O-N 2.92Å; E226-K229 WeakPolarHBondContact O-CB 3.28Å; E226-K229 PolarHBondContact O-N 3.38Å; E226-K229 IonicContact OE1-NZ 3.57Å; E226-K229 PolarHBondContact OE1-NZ 3.05Å; E226-K229 IonicContact OE2-NZ 2.67Å; E226-F230 VanDerWaalsContact O-CD2 3.32Å; E226-F230 WeakPolarHBondContact O-CD2 3.24Å
227L93.7Very high88Confident2 Ų253.2 Ų53.21%0.0129%0.292CS..Hα-helixtrans-63.2-39178.6-72.3166.7000112.4L179 V191 L195 R201 A211 L212 A215 V223 I224 K229 F230L179-L227 HydrophobicContact CD2-CD2 4.33Å; V191-L227 HydrophobicContact CG1-CD2 3.93Å; V191-L227 HydrophobicContact CG1-CG 3.97Å; L195-L227 HydrophobicContact CD1-CD2 4.09Å; R201-L227 HydrophobicContact CG-CD2 3.92Å; A211-L227 HydrophobicContact CB-CD1 4.23Å; A211-L227 HydrophobicContact CB-CD2 4.32Å; L212-L227 HydrophobicContact CB-CD1 4.07Å; L212-L227 HydrophobicContact CD1-CB 4.24Å; L212-L227 HydrophobicContact CD1-CD1 4.11Å; A215-L227 HydrophobicContact CB-CD1 4.46Å; V223-L227 HydrophobicContact CG1-CD1 3.67Å; V223-L227 HydrophobicContact CG1-CG 4.23Å; V223-L227 WeakPolarHBondContact O-CB 3.5Å; V223-L227 WeakPolarHBondContact O-CG 3.21Å; V223-L227 PolarHBondContact O-N 2.87Å; I224-L227 PolarHBondContact O-N 3.45Å; L227-K229 VanDerWaalsContact C-N 3.32Å; L227-K229 PolarHBondContact O-N 3.27Å; L227-F230 PolarHBondContact O-N 3.04Å
228L91.7Very high87.4Confident38 Ų3856.5 Ų56.520%0.19931%0.306CS..Hα-helixtrans-65.5-32.6179.4-71.6174.5000112.4I224 E225 E226 F230 S231 L234 A262I224-L228 HydrophobicContact CG2-CD1 3.7Å; I224-L228 HydrophobicContact CG2-CG 4.14Å; I224-L228 WeakPolarHBondContact O-CB 3.45Å; I224-L228 WeakPolarHBondContact O-CG 3.2Å; I224-L228 PolarHBondContact O-N 3.44Å; E225-L228 PolarHBondContact O-N 2.77Å; E226-L228 VanDerWaalsContact C-N 3.33Å; E226-L228 PolarHBondContact O-N 2.92Å; L228-F230 PolarHBondContact O-N 2.9Å; L228-S231 PolarHBondContact O-N 2.9Å; L228-S231 VanDerWaalsContact O-N 3.15Å; L228-L234 HydrophobicContact CD2-CD1 4.23Å; L228-L234 HydrophobicContact CD2-CD2 3.8Å; L228-A262 HydrophobicContact CD1-CB 3.83Å; L228-A262 HydrophobicContact CD2-CB 3.87Å; L228-A262 HydrophobicContact CG-CB 4.44Å
229K91.6Very high86.6Confident136 Ų13652.8 Ų52.859%0.59129%0.292SS*.Hα-helixtrans-59.7-29.6176.6-72.3169.1-167.7175.90113.2E225 E226 L227E225-K229 WeakPolarHBondContact O-CG 3.42Å; E225-K229 PolarHBondContact O-N 3.17Å; E226-K229 WeakPolarHBondContact O-CB 3.28Å; E226-K229 PolarHBondContact O-N 3.38Å; E226-K229 IonicContact OE1-NZ 3.57Å; E226-K229 PolarHBondContact OE1-NZ 3.05Å; E226-K229 IonicContact OE2-NZ 2.67Å; L227-K229 VanDerWaalsContact C-N 3.32Å; L227-K229 PolarHBondContact O-N 3.27Å
230F86.6Confident86Confident74 Ų7452.6 Ų52.633%0.32529%0.29SS..THydrogen-bonded Turntrans-89.1-7.6-177.4-71.1-99.7000112.9L195 L196 R201 E226 L227 L228L195-F230 HydrophobicContact CB-CD1 3.95Å; L195-F230 HydrophobicContact CB-CD2 4.05Å; L195-F230 HydrophobicContact CB-CE1 3.82Å; L195-F230 HydrophobicContact CB-CE2 3.93Å; L195-F230 HydrophobicContact CB-CG 4.06Å; L195-F230 HydrophobicContact CB-CZ 3.82Å; L195-F230 HydrophobicContact CD1-CB 4.48Å; L195-F230 HydrophobicContact CD1-CD2 3.53Å; L195-F230 HydrophobicContact CD1-CE2 3.87Å; L195-F230 HydrophobicContact CD1-CG 4Å; L195-F230 HydrophobicContact CG-CD2 4.33Å; L195-F230 HydrophobicContact CG-CG 4.42Å; L196-F230 HydrophobicContact CD2-CE1 4.06Å; L196-F230 HydrophobicContact CD2-CZ 3.8Å; L196-F230 HydrophobicContact CG-CE1 4.46Å; L196-F230 HydrophobicContact CG-CZ 3.98Å; R201-F230 PolarHBondContact NH1-O 2.96Å; E226-F230 VanDerWaalsContact O-CD2 3.32Å; E226-F230 WeakPolarHBondContact O-CD2 3.24Å; L227-F230 PolarHBondContact O-N 3.04Å; L228-F230 PolarHBondContact O-N 2.9Å
231S74.2Confident85.5Confident94 Ų9450.8 Ų50.866%0.65728%0.283SS*.  trans54.394.7170-1500000119.9R201 L228R201-S231 PolarHBondContact NH1-O 3.4Å; R201-S231 PolarHBondContact NH2-O 2.97Å; L228-S231 PolarHBondContact O-N 2.9Å; L228-S231 VanDerWaalsContact O-N 3.15Å
232P62.1Low85.3Confident21 Ų2148.9 Ų48.914%0.13627%0.273CS..  trans-106.4166.8154.728.9-21.2000112.9R201 D202 L234R201-P232 VanDerWaalsContact CD-CD 3.48Å; R201-P232 VanDerWaalsContact CZ-CA 3.5Å; R201-P232 VanDerWaalsContact CZ-CG 3.42Å; D202-P232 WeakPolarHBondContact OD1-CB 3.26Å; D202-P232 WeakPolarHBondContact OD1-CG 3.38Å; D202-P232 WeakPolarHBondContact OD2-CB 3.22Å; P232-L234 PolarHBondContact O-N 3.37Å
233S70.4Confident85Confident104 Ų10446.9 Ų46.973%0.72726%0.257SS*.  trans-50.8125.1157.1540000112.9G235S233-G235 PolarHBondContact O-N 2.92Å
234L77.9Confident84.7Confident28 Ų2846.9 Ų46.915%0.14726%0.257CS..  trans-81.720.5169.6-62.5177.8000113.3L212 L228 P232 L259 A262 A264L212-L234 HydrophobicContact CD2-CD2 3.36Å; L228-L234 HydrophobicContact CD2-CD1 4.23Å; L228-L234 HydrophobicContact CD2-CD2 3.8Å; P232-L234 PolarHBondContact O-N 3.37Å; L234-L259 HydrophobicContact CD2-CD2 4.38Å; L234-A262 HydrophobicContact CD1-CB 3.82Å; L234-A262 WeakPolarHBondContact CD1-O 3.48Å; L234-A264 HydrophobicContact CB-CB 4.44Å; L234-A264 HydrophobicContact CD1-CB 4.01Å
235G73.9Confident84.6Confident27 Ų2746.9 Ų46.928%0.27826%0.257SS..SBendtrans-71.8-166.5-174.900000113.7S233 L237S233-G235 PolarHBondContact O-N 2.92Å; G235-L237 PolarHBondContact O-N 3.45Å
236L78.9Confident84.5Confident95 Ų9542.6 Ų42.650%0.49724%0.237SC..  trans-64.5128.3176.8-71.9168000110.7T242 P269L236-T242 HydrophobicContact CD2-CG2 3.88Å; L236-T242 HydrophobicContact CG-CG2 4.44Å; L236-P269 WeakPolarHBondContact CD2-O 3.5Å
237L84.6Confident84.5Confident34 Ų3441.4 Ų41.418%0.17823%0.231CC..  trans-77.4172.3172-54.6174.6000109.9T210 F213 G235 N239 G240 S241T210-L237 HydrophobicContact CG2-CD2 3.73Å; F213-L237 HydrophobicContact CB-CD1 3.59Å; F213-L237 HydrophobicContact CD2-CD1 3.42Å; F213-L237 VanDerWaalsContact CD2-CD1 3.42Å; F213-L237 HydrophobicContact CE2-CD1 4.4Å; F213-L237 HydrophobicContact CG-CD1 3.83Å; G235-L237 PolarHBondContact O-N 3.45Å; L237-N239 WeakPolarHBondContact CB-OD1 3.12Å; L237-N239 PolarHBondContact O-N 3.39Å; L237-G240 VanDerWaalsContact O-CA 3.24Å; L237-G240 WeakPolarHBondContact O-CA 3.45Å; L237-G240 PolarHBondContact O-N 3.37Å; L237-S241 VanDerWaalsContact CB-O 3.28Å; L237-S241 WeakPolarHBondContact CB-O 3.4Å; L237-S241 WeakPolarHBondContact CG-O 3.13Å; L237-S241 PolarHBondContact N-O 3.4Å
238K82.3Confident84.5Confident148 Ų14841.4 Ų41.464%0.64323%0.231SC*.THydrogen-bonded Turntrans-64.2-26177.5-58.7-161.2-158.2136.40113.1D204 G240 K271D204-K238 IonicContact OD1-NZ 2.73Å; D204-K238 PolarHBondContact OD1-NZ 3.35Å; D204-K238 WeakPolarHBondContact OD2-CD 3.46Å; D204-K238 WeakPolarHBondContact OD2-CE 3.49Å; D204-K238 IonicContact OD2-NZ 2.79Å; D204-K238 PolarHBondContact OD2-NZ 3.04Å; K238-G240 PolarHBondContact O-N 2.93Å; K238-K271 WeakPolarHBondContact O-CE 3.36Å; K238-K271 PolarHBondContact O-NZ 3.13Å
239N80Confident84.5Confident32 Ų3243.4 Ų43.417%0.17124%0.241CC..THydrogen-bonded Turntrans-71-7.1170.373.29.6000113.2D207 L237 S241 K271D207-N239 VanDerWaalsContact O-CB 3.26Å; D207-N239 WeakPolarHBondContact O-CB 3.44Å; L237-N239 WeakPolarHBondContact CB-OD1 3.12Å; L237-N239 PolarHBondContact O-N 3.39Å; N239-S241 VanDerWaalsContact C-N 3.32Å; N239-S241 WeakPolarHBondContact OD1-CB 3.26Å; N239-S241 PolarHBondContact OD1-N 3.27Å; N239-S241 PolarHBondContact OD1-O 3.22Å; N239-K271 WeakPolarHBondContact O-CD 3.31Å; N239-K271 WeakPolarHBondContact O-CE 3.37Å; N239-K271 WeakPolarHBondContact O-CG 3.21Å; N239-K271 PolarHBondContact O-NZ 2.93Å
240G83.9Confident84.5Confident10 Ų1038 Ų3810%0.10322%0.224CC..SBendtrans67.527.8179.600000113.8L237 K238 N270 K271L237-G240 VanDerWaalsContact O-CA 3.24Å; L237-G240 WeakPolarHBondContact O-CA 3.45Å; L237-G240 PolarHBondContact O-N 3.37Å; K238-G240 PolarHBondContact O-N 2.93Å; G240-N270 CarbonylContact O-C 3.44Å; G240-N270 WeakPolarHBondContact O-CA 3.45Å; G240-K271 PolarHBondContact O-N 3.13Å
241S87.8Confident84.8Confident17 Ų1739.1 Ų39.112%0.11923%0.233CC..  trans-117.9160.2165.4-68.60000109L237 N239L237-S241 VanDerWaalsContact CB-O 3.28Å; L237-S241 WeakPolarHBondContact CB-O 3.4Å; L237-S241 WeakPolarHBondContact CG-O 3.13Å; L237-S241 PolarHBondContact N-O 3.4Å; N239-S241 VanDerWaalsContact C-N 3.32Å; N239-S241 WeakPolarHBondContact OD1-CB 3.26Å; N239-S241 PolarHBondContact OD1-N 3.27Å; N239-S241 PolarHBondContact OD1-O 3.22Å
242T91.7Very high85.7Confident2 Ų236.4 Ų36.41%0.01221%0.211CC..  trans-99166.4172.9710000110.8L236 L244 H245 A246 L268L236-T242 HydrophobicContact CD2-CG2 3.88Å; L236-T242 HydrophobicContact CG-CG2 4.44Å; T242-L244 PolarHBondContact O-N 3.4Å; T242-L244 WeakPolarHBondContact OG1-CB 3.29Å; T242-L244 PolarHBondContact OG1-N 2.91Å; T242-H245 PolarHBondContact N-ND1 3.24Å; T242-H245 VanDerWaalsContact N-ND1 3.13Å; T242-H245 PolarHBondContact O-N 2.89Å; T242-H245 PolarHBondContact OG1-N 3.05Å; T242-H245 PolarHBondContact OG1-ND1 2.91Å; T242-A246 PolarHBondContact O-N 3.02Å; T242-L268 HydrophobicContact CG2-CB 4.13Å; T242-L268 HydrophobicContact CG2-CD1 3.92Å
243A90.9Very high87.1Confident6 Ų638.7 Ų38.75%0.0522%0.22CC..Hα-helixtrans-59.4-27.3169.700000112.3L212 A216 A246 A247 L259L212-A243 HydrophobicContact CD2-CB 3.85Å; L212-A243 HydrophobicContact CG-CB 3.8Å; A216-A243 HydrophobicContact CB-CB 4.42Å; A216-A243 WeakPolarHBondContact CB-O 3.49Å; A243-A246 WeakPolarHBondContact O-CB 3.35Å; A243-A246 PolarHBondContact O-N 3.38Å; A243-A247 PolarHBondContact O-N 3.28Å; A243-L259 HydrophobicContact CB-CD1 4.03Å; A243-L259 HydrophobicContact CB-CD2 4.04Å; A243-L259 VanDerWaalsContact O-CD1 3.31Å; A243-L259 WeakPolarHBondContact O-CD1 3.42Å
244L92Very high88.2Confident1 Ų140.8 Ų40.81%0.00522%0.216CC..Hα-helixtrans-69-42.8176.7-174.461.3000111.5T242 A246 A247 V248 V256 L259 L260 A264 P266 P276 L289T242-L244 PolarHBondContact O-N 3.4Å; T242-L244 WeakPolarHBondContact OG1-CB 3.29Å; T242-L244 PolarHBondContact OG1-N 2.91Å; L244-A246 PolarHBondContact O-N 3.28Å; L244-A247 PolarHBondContact O-N 3.1Å; L244-V248 VanDerWaalsContact O-CG2 3.31Å; L244-V248 WeakPolarHBondContact O-CG2 3.47Å; L244-V248 PolarHBondContact O-N 3.08Å; L244-V256 HydrophobicContact CD1-CB 4.4Å; L244-V256 HydrophobicContact CD1-CG1 4.03Å; L244-V256 HydrophobicContact CD1-CG2 4.38Å; L244-L259 HydrophobicContact CD1-CB 4.25Å; L244-L260 HydrophobicContact CD1-CD2 4.44Å; L244-L260 HydrophobicContact CD1-CG 4.33Å; L244-L260 HydrophobicContact CD2-CD2 3.96Å; L244-A264 HydrophobicContact CB-CB 4.28Å; L244-A264 HydrophobicContact CD2-CB 4.35Å; L244-P266 HydrophobicContact CD2-CB 3.81Å; L244-P276 HydrophobicContact CD2-CB 4.37Å; L244-P276 HydrophobicContact CD2-CG 4.11Å; L244-P276 HydrophobicContact CG-CB 4.18Å; L244-P276 HydrophobicContact CG-CG 4.18Å; L244-L289 HydrophobicContact CD1-CD2 4.35Å; L244-L289 HydrophobicContact CD2-CD2 4.08Å; L244-L289 HydrophobicContact CG-CD2 4.48Å
245H93.4Very high89Confident0 Ų039.5 Ų39.50%021%0.209CC..Hα-helixtrans-55.5-44.3171.1-6689.1000110.7T242 V248 M249 L268 N270 E274 P276 L279T242-H245 PolarHBondContact N-ND1 3.24Å; T242-H245 VanDerWaalsContact N-ND1 3.13Å; T242-H245 PolarHBondContact O-N 2.89Å; T242-H245 PolarHBondContact OG1-N 3.05Å; T242-H245 PolarHBondContact OG1-ND1 2.91Å; H245-V248 PolarHBondContact O-N 3.45Å; H245-M249 HydrophobicContact CB-CE 4.16Å; H245-M249 WeakPolarHBondContact O-CB 3.09Å; H245-M249 WeakPolarHBondContact O-CE 3.46Å; H245-M249 VanDerWaalsContact O-CG 3.27Å; H245-M249 WeakPolarHBondContact O-CG 3.48Å; H245-M249 PolarHBondContact O-N 2.9Å; H245-L268 PolarHBondContact CE1-O 3.16Å; H245-L268 PolarHBondContact NE2-O 2.93Å; H245-N270 PolarHBondContact NE2-N 3.4Å; H245-E274 PolarHBondContact NE2-O 3.17Å; H245-P276 WeakPolarHBondContact NE2-CD 3.32Å; H245-L279 HydrophobicContact CB-CD1 4.13Å
246A92.7Very high89.9Confident0 Ų038.2 Ų38.20%020%0.196CC..Hα-helixtrans-60-47.9176.400000113.2F213 A216 F217 T242 A243 L244 V248 M249 G250F213-A246 HydrophobicContact CD1-CB 4.2Å; F213-A246 HydrophobicContact CD2-CB 3.61Å; F213-A246 HydrophobicContact CE1-CB 4.19Å; F213-A246 HydrophobicContact CE2-CB 3.63Å; F213-A246 HydrophobicContact CG-CB 3.92Å; F213-A246 HydrophobicContact CZ-CB 3.92Å; F213-A246 VanDerWaalsContact O-CB 3.29Å; F213-A246 WeakPolarHBondContact O-CB 3.16Å; A216-A246 HydrophobicContact CB-CB 4.06Å; F217-A246 WeakPolarHBondContact CA-O 3.41Å; F217-A246 HydrophobicContact CB-CB 4.05Å; T242-A246 PolarHBondContact O-N 3.02Å; A243-A246 WeakPolarHBondContact O-CB 3.35Å; A243-A246 PolarHBondContact O-N 3.38Å; L244-A246 PolarHBondContact O-N 3.28Å; A246-V248 PolarHBondContact O-N 3.37Å; A246-M249 PolarHBondContact O-N 2.96Å; A246-G250 PolarHBondContact O-N 2.96Å
247A94.3Very high90.6Very high0 Ų037 Ų370%019%0.19CC..Hα-helixtrans-58.7-38.6177.200000112.3A216 A243 L244 D251 N252 V256 L259A216-A247 HydrophobicContact CB-CB 4.12Å; A216-A247 WeakPolarHBondContact O-CA 3.39Å; A243-A247 PolarHBondContact O-N 3.28Å; L244-A247 PolarHBondContact O-N 3.1Å; A247-D251 PolarHBondContact O-N 3.42Å; A247-N252 PolarHBondContact O-N 3.48Å; A247-V256 HydrophobicContact CB-CG2 3.75Å; A247-L259 HydrophobicContact CB-CD1 3.76Å
248V93.9Very high90.9Very high3 Ų337.8 Ų37.82%0.01819%0.194CC..Hα-helixtrans-73.4-44.3179179.80000112.1L244 H245 A246 G250 D251 V256 P276 L279 T280 I285 L289L244-V248 VanDerWaalsContact O-CG2 3.31Å; L244-V248 WeakPolarHBondContact O-CG2 3.47Å; L244-V248 PolarHBondContact O-N 3.08Å; H245-V248 PolarHBondContact O-N 3.45Å; A246-V248 PolarHBondContact O-N 3.37Å; V248-G250 PolarHBondContact O-N 3.42Å; V248-D251 PolarHBondContact O-N 2.95Å; V248-V256 HydrophobicContact CG2-CG2 3.73Å; V248-P276 WeakPolarHBondContact CG1-O 3.18Å; V248-P276 HydrophobicContact CG2-CB 4.05Å; V248-L279 HydrophobicContact CG1-CB 4.34Å; V248-T280 HydrophobicContact CG1-CG2 3.5Å; V248-T280 VanDerWaalsContact CG1-CG2 3.5Å; V248-I285 HydrophobicContact CB-CG2 4.49Å; V248-I285 HydrophobicContact CG1-CG2 4.04Å; V248-I285 HydrophobicContact CG2-CG2 3.82Å; V248-L289 HydrophobicContact CG2-CD1 4.28Å
249M92.1Very high91.4Very high80 Ų8030.7 Ų30.739%0.39416%0.163SC..Hα-helixtrans-60.6-31.6174.8-72.7-175.3-70.500112.4F213 F217 H245 A246 D251 L279F213-M249 HydrophobicContact CE2-CE 4.34Å; F213-M249 HydrophobicContact CZ-CE 3.98Å; F217-M249 HydrophobicContact CD2-CB 4.11Å; F217-M249 HydrophobicContact CE2-CB 3.93Å; H245-M249 HydrophobicContact CB-CE 4.16Å; H245-M249 WeakPolarHBondContact O-CB 3.09Å; H245-M249 WeakPolarHBondContact O-CE 3.46Å; H245-M249 VanDerWaalsContact O-CG 3.27Å; H245-M249 WeakPolarHBondContact O-CG 3.48Å; H245-M249 PolarHBondContact O-N 2.9Å; A246-M249 PolarHBondContact O-N 2.96Å; M249-D251 VanDerWaalsContact C-N 3.3Å; M249-L279 HydrophobicContact CG-CB 4.37Å; M249-L279 HydrophobicContact CG-CD1 3.82Å; M249-L279 HydrophobicContact SD-CD1 4.18Å
250G90.8Very high91.9Very high23 Ų2329.6 Ų29.624%0.23716%0.157CC..THydrogen-bonded Turntrans-81.91.3173.900000115.1F217 A246 V248 N252F217-G250 WeakPolarHBondContact O-CA 3.13Å; A246-G250 PolarHBondContact O-N 2.96Å; V248-G250 PolarHBondContact O-N 3.42Å; G250-N252 PolarHBondContact O-N 2.72Å; G250-N252 PolarHBondContact O-ND2 3.25Å; G250-N252 PolarHBondContact O-OD1 3.16Å
251D92.8Very high92.1Very high97 Ų9732.1 Ų32.152%0.51918%0.183SC..THydrogen-bonded Turntrans52.433-173-162.434.2000114A247 V248 M249 H253 S282 I285A247-D251 PolarHBondContact O-N 3.42Å; V248-D251 PolarHBondContact O-N 2.95Å; M249-D251 VanDerWaalsContact C-N 3.3Å; D251-H253 PolarHBondContact O-N 3.31Å; D251-S282 WeakPolarHBondContact OD1-CB 3.4Å; D251-S282 PolarHBondContact OD1-OG 3.36Å; D251-I285 WeakPolarHBondContact OD1-CD1 3.43Å
252N92.9Very high92.2Very high36 Ų3633.1 Ų33.119%0.19319%0.192CC..  trans-94.880.2-173.9-63.9-57.4000112.1A216 F217 G219 A247 G250 K254 S255 V256A216-N252 PolarHBondContact O-ND2 3Å; F217-N252 PolarHBondContact O-ND2 3.16Å; G219-N252 WeakPolarHBondContact CA-ND2 3.31Å; G219-N252 WeakPolarHBondContact CA-OD1 3.48Å; G219-N252 PolarHBondContact N-ND2 3.03Å; G219-N252 VanDerWaalsContact N-ND2 3.11Å; A247-N252 PolarHBondContact O-N 3.48Å; G250-N252 PolarHBondContact O-N 2.72Å; G250-N252 PolarHBondContact O-ND2 3.25Å; G250-N252 PolarHBondContact O-OD1 3.16Å; N252-K254 VanDerWaalsContact C-N 3.29Å; N252-K254 PolarHBondContact O-N 2.95Å; N252-S255 WeakPolarHBondContact O-CB 3.44Å; N252-S255 PolarHBondContact O-N 3.41Å; N252-V256 WeakPolarHBondContact O-CG2 3.47Å; N252-V256 PolarHBondContact O-N 3.21Å
253H92.8Very high92Very high69 Ų6939.9 Ų39.932%0.31923%0.228SC..Hα-helixtrans-52.2-40.3-178.9173.3-86000114.6D251 V256 N257 I285D251-H253 PolarHBondContact O-N 3.31Å; H253-V256 PolarHBondContact O-N 2.92Å; H253-N257 PolarHBondContact CE1-ND2 2.79Å; H253-N257 PolarHBondContact O-N 2.64Å; H253-N257 VanDerWaalsContact O-N 3.09Å; H253-I285 HydrophobicContact CB-CG1 4.24Å
254K93.4Very high91.9Very high149 Ų14940 Ų4065%0.64823%0.229SC*.Hα-helixtrans-65.1-43.3177.9-70.5-174.4-179.7-178.60111.6N252 V256 N257 L258N252-K254 VanDerWaalsContact C-N 3.29Å; N252-K254 PolarHBondContact O-N 2.95Å; K254-V256 VanDerWaalsContact C-N 3.32Å; K254-V256 PolarHBondContact O-N 3.3Å; K254-N257 PolarHBondContact O-N 2.96Å; K254-L258 WeakPolarHBondContact O-CG 3.41Å; K254-L258 PolarHBondContact O-N 3.5Å
255S93.7Very high91.7Very high0 Ų042.9 Ų42.90%025%0.245CC..Hα-helixtrans-65.4-37.2177.7-52.10000111.6G219 N221 I224 N252 L258 L259G219-S255 WeakPolarHBondContact CA-OG 3.47Å; N221-S255 WeakPolarHBondContact OD1-CA 3.25Å; N221-S255 PolarHBondContact OD1-N 3.3Å; N221-S255 VanDerWaalsContact OD1-N 3.16Å; N221-S255 PolarHBondContact OD1-OG 3.11Å; I224-S255 WeakPolarHBondContact CD1-OG 3.41Å; N252-S255 WeakPolarHBondContact O-CB 3.44Å; N252-S255 PolarHBondContact O-N 3.41Å; S255-L258 PolarHBondContact O-N 2.81Å; S255-L259 WeakPolarHBondContact O-CB 3.48Å; S255-L259 VanDerWaalsContact O-CG 3.25Å; S255-L259 WeakPolarHBondContact O-CG 3.49Å; S255-L259 PolarHBondContact O-N 3.26Å
256V93.7Very high91.4Very high0 Ų043.2 Ų43.20%025%0.247CC..Hα-helixtrans-57.4-51.1171.8169.90000110.6L244 A247 V248 N252 H253 K254 L258 L259 L260 I285 A288 L289L244-V256 HydrophobicContact CD1-CB 4.4Å; L244-V256 HydrophobicContact CD1-CG1 4.03Å; L244-V256 HydrophobicContact CD1-CG2 4.38Å; A247-V256 HydrophobicContact CB-CG2 3.75Å; V248-V256 HydrophobicContact CG2-CG2 3.73Å; N252-V256 WeakPolarHBondContact O-CG2 3.47Å; N252-V256 PolarHBondContact O-N 3.21Å; H253-V256 PolarHBondContact O-N 2.92Å; K254-V256 VanDerWaalsContact C-N 3.32Å; K254-V256 PolarHBondContact O-N 3.3Å; V256-L258 VanDerWaalsContact C-N 3.34Å; V256-L258 PolarHBondContact O-N 3.29Å; V256-L259 PolarHBondContact O-N 3.33Å; V256-L260 HydrophobicContact CG1-CD1 3.77Å; V256-L260 HydrophobicContact CG1-CG 4.34Å; V256-L260 WeakPolarHBondContact O-CB 3.31Å; V256-L260 VanDerWaalsContact O-CG 3.31Å; V256-L260 WeakPolarHBondContact O-CG 3.31Å; V256-L260 PolarHBondContact O-N 2.85Å; V256-I285 HydrophobicContact CG1-CG2 4.35Å; V256-I285 HydrophobicContact CG2-CD1 4.47Å; V256-I285 HydrophobicContact CG2-CG2 4.13Å; V256-A288 HydrophobicContact CG1-CB 4.32Å; V256-L289 HydrophobicContact CG1-CD2 4.29Å
257N92.4Very high91.2Very high71 Ų7145.9 Ų45.938%0.3826%0.263SS..Hα-helixtrans-63.8-38.7179.7-71.2-10.2000112.7H253 K254 G261 A288H253-N257 PolarHBondContact CE1-ND2 2.79Å; H253-N257 PolarHBondContact O-N 2.64Å; H253-N257 VanDerWaalsContact O-N 3.09Å; K254-N257 PolarHBondContact O-N 2.96Å; N257-G261 PolarHBondContact O-N 3.29Å; N257-A288 WeakPolarHBondContact OD1-CB 3.4Å
258L92.2Very high90.9Very high49 Ų4948 Ų4826%0.25727%0.274SS..Hα-helixtrans-62.2-44.6175.8-74.6173.6000111.7N221 I224 E225 K254 S255 V256 G261 A262N221-L258 HydrophobicContact CB-CD1 3.7Å; I224-L258 HydrophobicContact CG2-CB 4.39Å; E225-L258 HydrophobicContact CG-CD1 4.13Å; E225-L258 HydrophobicContact CG-CD2 4.12Å; K254-L258 WeakPolarHBondContact O-CG 3.41Å; K254-L258 PolarHBondContact O-N 3.5Å; S255-L258 PolarHBondContact O-N 2.81Å; V256-L258 VanDerWaalsContact C-N 3.34Å; V256-L258 PolarHBondContact O-N 3.29Å; L258-G261 PolarHBondContact O-N 2.99Å; L258-A262 WeakPolarHBondContact O-CB 3.46Å; L258-A262 PolarHBondContact O-N 3.2Å; L258-A262 VanDerWaalsContact O-N 3.08Å
259L91.8Very high90.7Very high0 Ų050.1 Ų50.10%029%0.288CS..Hα-helixtrans-69-41.9179.6-69.5170.4000111.8L212 A216 I224 L234 A243 L244 A247 S255 V256 G261 A262 N263 A264L212-L259 HydrophobicContact CD1-CD2 4.33Å; L212-L259 HydrophobicContact CD2-CD2 4.46Å; A216-L259 HydrophobicContact CB-CD1 4.05Å; I224-L259 HydrophobicContact CG2-CD2 4.23Å; L234-L259 HydrophobicContact CD2-CD2 4.38Å; A243-L259 HydrophobicContact CB-CD1 4.03Å; A243-L259 HydrophobicContact CB-CD2 4.04Å; A243-L259 VanDerWaalsContact O-CD1 3.31Å; A243-L259 WeakPolarHBondContact O-CD1 3.42Å; L244-L259 HydrophobicContact CD1-CB 4.25Å; A247-L259 HydrophobicContact CB-CD1 3.76Å; S255-L259 WeakPolarHBondContact O-CB 3.48Å; S255-L259 VanDerWaalsContact O-CG 3.25Å; S255-L259 WeakPolarHBondContact O-CG 3.49Å; S255-L259 PolarHBondContact O-N 3.26Å; V256-L259 PolarHBondContact O-N 3.33Å; L259-G261 VanDerWaalsContact C-N 3.34Å; L259-A262 CarbonylContact O-C 3.34Å; L259-A262 WeakPolarHBondContact O-CA 3.35Å; L259-A262 PolarHBondContact O-N 2.96Å; L259-A262 VanDerWaalsContact O-N 3.1Å; L259-N263 PolarHBondContact O-N 3.34Å; L259-A264 HydrophobicContact CB-CB 3.92Å; L259-A264 WeakPolarHBondContact O-CB 3.35Å; L259-A264 PolarHBondContact O-N 3.19Å
260L90.6Very high90.5Very high9 Ų947.1 Ų47.15%0.04727%0.273CS..Hα-helixtrans-62.4-41.8174.2-70.3172.1000111.7L244 V256 A262 N263 P266 A288 L289 H292L244-L260 HydrophobicContact CD1-CD2 4.44Å; L244-L260 HydrophobicContact CD1-CG 4.33Å; L244-L260 HydrophobicContact CD2-CD2 3.96Å; V256-L260 HydrophobicContact CG1-CD1 3.77Å; V256-L260 HydrophobicContact CG1-CG 4.34Å; V256-L260 WeakPolarHBondContact O-CB 3.31Å; V256-L260 VanDerWaalsContact O-CG 3.31Å; V256-L260 WeakPolarHBondContact O-CG 3.31Å; V256-L260 PolarHBondContact O-N 2.85Å; L260-A262 PolarHBondContact O-N 3.29Å; L260-N263 PolarHBondContact O-N 3.36Å; L260-P266 HydrophobicContact CD2-CB 4.28Å; L260-P266 HydrophobicContact CD2-CG 4.36Å; L260-A288 HydrophobicContact CD1-CB 4.36Å; L260-L289 HydrophobicContact CD1-CD2 4.21Å; L260-L289 HydrophobicContact CD2-CD2 4.24Å; L260-H292 HydrophobicContact CD2-CB 4.42Å
261G88.9Confident90.3Very high63 Ų6352.9 Ų52.965%0.64929%0.292SS*.Hα-helixtrans-65.1-19.8174.200000113.8N257 L258 L259N257-G261 PolarHBondContact O-N 3.29Å; L258-G261 PolarHBondContact O-N 2.99Å; L259-G261 VanDerWaalsContact C-N 3.34Å
262A88.6Confident90Very high37 Ų3754 Ų5431%0.30630%0.298SS..THydrogen-bonded Turntrans-96.417.417300000113.2L228 L234 L258 L259 L260L228-A262 HydrophobicContact CD1-CB 3.83Å; L228-A262 HydrophobicContact CD2-CB 3.87Å; L228-A262 HydrophobicContact CG-CB 4.44Å; L234-A262 HydrophobicContact CD1-CB 3.82Å; L234-A262 WeakPolarHBondContact CD1-O 3.48Å; L258-A262 WeakPolarHBondContact O-CB 3.46Å; L258-A262 PolarHBondContact O-N 3.2Å; L258-A262 VanDerWaalsContact O-N 3.08Å; L259-A262 CarbonylContact O-C 3.34Å; L259-A262 WeakPolarHBondContact O-CA 3.35Å; L259-A262 PolarHBondContact O-N 2.96Å; L259-A262 VanDerWaalsContact O-N 3.1Å; L260-A262 PolarHBondContact O-N 3.29Å
263N87.4Confident89.8Confident145 Ų14558.4 Ų58.478%0.77532%0.322SS*.THydrogen-bonded Turntrans66.631.3179-58.432.5000114.4L259 L260 D265L259-N263 PolarHBondContact O-N 3.34Å; L260-N263 PolarHBondContact O-N 3.36Å; N263-D265 PolarHBondContact O-N 2.94Å
264A88.8Confident89.6Confident7 Ų758.5 Ų58.56%0.05832%0.322CS..  trans-64.2129166.400000110.3L234 L244 L259 P266L234-A264 HydrophobicContact CB-CB 4.44Å; L234-A264 HydrophobicContact CD1-CB 4.01Å; L244-A264 HydrophobicContact CB-CB 4.28Å; L244-A264 HydrophobicContact CD2-CB 4.35Å; L259-A264 HydrophobicContact CB-CB 3.92Å; L259-A264 WeakPolarHBondContact O-CB 3.35Å; L259-A264 PolarHBondContact O-N 3.19Å; A264-P266 VanDerWaalsContact O-CD 3.31Å; A264-P266 WeakPolarHBondContact O-CD 3.27Å
265D88.1Confident89.4Confident63 Ų6353.9 Ų53.934%0.33730%0.304SS..  trans-80.1115.7-179.4-174.9-6.5000111.1N263 T267 L268N263-D265 PolarHBondContact O-N 2.94Å; D265-T267 VanDerWaalsContact C-N 3.27Å; D265-T267 PolarHBondContact O-N 3.47Å; D265-T267 WeakPolarHBondContact OD1-CA 3.42Å; D265-T267 WeakPolarHBondContact OD1-CB 3.31Å; D265-T267 PolarHBondContact OD1-N 3.39Å; D265-T267 PolarHBondContact OD1-OG1 3.29Å; D265-T267 PolarHBondContact OD2-OG1 3.02Å; D265-L268 HydrophobicContact CB-CD1 3.85Å; D265-L268 HydrophobicContact CB-CG 3.85Å
266P87.9Confident89.2Confident7 Ų753.9 Ų53.95%0.04530%0.304CS..THydrogen-bonded Turntrans-79.9-5.3177.236.1-37.7000113.8L244 L260 A264 P276 L289 H292 I293L244-P266 HydrophobicContact CD2-CB 3.81Å; L260-P266 HydrophobicContact CD2-CB 4.28Å; L260-P266 HydrophobicContact CD2-CG 4.36Å; A264-P266 VanDerWaalsContact O-CD 3.31Å; A264-P266 WeakPolarHBondContact O-CD 3.27Å; P266-P276 WeakPolarHBondContact O-CD 3.4Å; P266-L289 HydrophobicContact CB-CD2 3.91Å; P266-H292 HydrophobicContact CG-CB 3.67Å; P266-I293 HydrophobicContact CB-CG1 4.05Å; P266-I293 HydrophobicContact CG-CG1 4.01Å
267T87.7Confident89Confident55 Ų5554.8 Ų54.834%0.33731%0.312SS..THydrogen-bonded Turntrans-95-7.4-179.372.60000113D265 P269 L275D265-T267 VanDerWaalsContact C-N 3.27Å; D265-T267 PolarHBondContact O-N 3.47Å; D265-T267 WeakPolarHBondContact OD1-CA 3.42Å; D265-T267 WeakPolarHBondContact OD1-CB 3.31Å; D265-T267 PolarHBondContact OD1-N 3.39Å; D265-T267 PolarHBondContact OD1-OG1 3.29Å; D265-T267 PolarHBondContact OD2-OG1 3.02Å; T267-P269 WeakPolarHBondContact O-CD 3.44Å; T267-L275 WeakPolarHBondContact O-CD2 3.39Å
268L88.1Confident88.8Confident45 Ų4556.5 Ų56.524%0.23632%0.321CS..  trans-70.2122.8174.4-69.3175.6000110.1T242 H245 D265T242-L268 HydrophobicContact CG2-CB 4.13Å; T242-L268 HydrophobicContact CG2-CD1 3.92Å; H245-L268 PolarHBondContact CE1-O 3.16Å; H245-L268 PolarHBondContact NE2-O 2.93Å; D265-L268 HydrophobicContact CB-CD1 3.85Å; D265-L268 HydrophobicContact CB-CG 3.85Å
269P89.2Confident88.6Confident48 Ų4856.2 Ų56.231%0.31232%0.319SS..  trans-79.4152.4173.131.6-33.2000111.5L236 T267 L275L236-P269 WeakPolarHBondContact CD2-O 3.5Å; T267-P269 WeakPolarHBondContact O-CD 3.44Å; P269-L275 HydrophobicContact CB-CD2 4.3Å
270N89.3Confident88.5Confident16 Ų1657 Ų579%0.08632%0.324CS..  trans-77.2-178.2168.773.98.3000112.1G240 H245 N272 N273 E274G240-N270 CarbonylContact O-C 3.44Å; G240-N270 WeakPolarHBondContact O-CA 3.45Å; H245-N270 PolarHBondContact NE2-N 3.4Å; N270-N272 PolarHBondContact O-N 3.2Å; N270-N272 VanDerWaalsContact O-N 3.13Å; N270-N272 VanDerWaalsContact OD1-CA 3.31Å; N270-N272 WeakPolarHBondContact OD1-CA 3.39Å; N270-N272 WeakPolarHBondContact OD1-CB 3.35Å; N270-N272 PolarHBondContact OD1-N 2.95Å; N270-N273 PolarHBondContact O-N 3.07Å; N270-N273 PolarHBondContact OD1-N 3.09Å; N270-N273 VanDerWaalsContact OD1-N 3.16Å; N270-E274 PolarHBondContact N-O 3.33Å; N270-E274 PolarHBondContact ND2-OE2 2.91Å; N270-E274 PolarHBondContact OD1-N 2.85Å; N270-E274 PolarHBondContact OD1-O 3.28Å
271K86.4Confident88.3Confident145 Ų14566.3 Ų66.363%0.6336%0.364SS*.THydrogen-bonded Turntrans-58.3-23.6175.3-67.7-167.4174.1163.60114.9K238 N239 G240 N273K238-K271 WeakPolarHBondContact O-CE 3.36Å; K238-K271 PolarHBondContact O-NZ 3.13Å; N239-K271 WeakPolarHBondContact O-CD 3.31Å; N239-K271 WeakPolarHBondContact O-CE 3.37Å; N239-K271 WeakPolarHBondContact O-CG 3.21Å; N239-K271 PolarHBondContact O-NZ 2.93Å; G240-K271 PolarHBondContact O-N 3.13Å; K271-N273 VanDerWaalsContact C-N 3.28Å
272N87.1Confident88.2Confident121 Ų12164.6 Ų64.665%0.64734%0.343SS*.THydrogen-bonded Turntrans-90.57.1177.2-58.4-26000112.3N270 E274N270-N272 PolarHBondContact O-N 3.2Å; N270-N272 VanDerWaalsContact O-N 3.13Å; N270-N272 VanDerWaalsContact OD1-CA 3.31Å; N270-N272 WeakPolarHBondContact OD1-CA 3.39Å; N270-N272 WeakPolarHBondContact OD1-CB 3.35Å; N270-N272 PolarHBondContact OD1-N 2.95Å; N272-E274 HydrophobicContact CB-CG 3.96Å; N272-E274 WeakPolarHBondContact CB-OE2 3.43Å; N272-E274 PolarHBondContact ND2-OE2 3.24Å; N272-E274 PolarHBondContact O-N 3.43Å
273N87Confident88.1Confident128 Ų12868.3 Ų68.368%0.68436%0.357SS*.SBendtrans6425.1-175.3-155.957.4000114.1N270 K271N270-N273 PolarHBondContact O-N 3.07Å; N270-N273 PolarHBondContact OD1-N 3.09Å; N270-N273 VanDerWaalsContact OD1-N 3.16Å; K271-N273 VanDerWaalsContact C-N 3.28Å
274E89.5Confident88.2Confident70 Ų7070.4 Ų70.433%0.32735%0.354SS..  trans-95.7133.1176.9-55.3166.9118.200109.4H245 N270 N272 D278 L279H245-E274 PolarHBondContact NE2-O 3.17Å; N270-E274 PolarHBondContact N-O 3.33Å; N270-E274 PolarHBondContact ND2-OE2 2.91Å; N270-E274 PolarHBondContact OD1-N 2.85Å; N270-E274 PolarHBondContact OD1-O 3.28Å; N272-E274 HydrophobicContact CB-CG 3.96Å; N272-E274 WeakPolarHBondContact CB-OE2 3.43Å; N272-E274 PolarHBondContact ND2-OE2 3.24Å; N272-E274 PolarHBondContact O-N 3.43Å; E274-D278 HydrophobicContact CB-CB 4.44Å; E274-L279 HydrophobicContact CB-CD2 3.98Å; E274-L279 HydrophobicContact CB-CG 4.37Å; E274-L279 HydrophobicContact CG-CD2 4.4Å
275L90.1Very high88.1Confident52 Ų5270 Ų7027%0.27235%0.352SS..  trans-79.9159.6171.6-63.3175000110.4T267 P269 A277 D278 L279T267-L275 WeakPolarHBondContact O-CD2 3.39Å; P269-L275 HydrophobicContact CB-CD2 4.3Å; L275-A277 PolarHBondContact O-N 2.96Å; L275-A277 VanDerWaalsContact O-N 3.09Å; L275-D278 WeakPolarHBondContact CB-OD2 3.19Å; L275-D278 PolarHBondContact N-OD2 2.89Å; L275-D278 WeakPolarHBondContact O-CB 3.47Å; L275-D278 PolarHBondContact O-N 3.38Å; L275-L279 PolarHBondContact O-N 3.09Å
276P88.9Confident88.1Confident0 Ų068.8 Ų68.80%034%0.344CS..THydrogen-bonded Turntrans-52.3-34.4170.6-25.634.2000112.8L244 H245 V248 P266 D278 L279 L289L244-P276 HydrophobicContact CD2-CB 4.37Å; L244-P276 HydrophobicContact CD2-CG 4.11Å; L244-P276 HydrophobicContact CG-CB 4.18Å; L244-P276 HydrophobicContact CG-CG 4.18Å; H245-P276 WeakPolarHBondContact NE2-CD 3.32Å; V248-P276 WeakPolarHBondContact CG1-O 3.18Å; V248-P276 HydrophobicContact CG2-CB 4.05Å; P266-P276 WeakPolarHBondContact O-CD 3.4Å; P276-D278 VanDerWaalsContact C-N 3.33Å; P276-D278 PolarHBondContact O-N 3.46Å; P276-L279 PolarHBondContact O-N 3.4Å; P276-L289 HydrophobicContact CB-CD1 4.32Å
277A89.2Confident88.1Confident20 Ų2077.3 Ų77.317%0.16538%0.376CS..THydrogen-bonded Turntrans-66.6-31177.400000113.5L275 L279 L286 L289 I293L275-A277 PolarHBondContact O-N 2.96Å; L275-A277 VanDerWaalsContact O-N 3.09Å; A277-L279 VanDerWaalsContact C-N 3.3Å; A277-L286 HydrophobicContact CB-CD2 4.15Å; A277-L286 WeakPolarHBondContact O-CD2 3.48Å; A277-L289 HydrophobicContact CB-CD1 4.12Å; A277-I293 HydrophobicContact CB-CD1 4.01Å
278D88.6Confident88.1Confident106 Ų10675.6 Ų75.657%0.56737%0.367SS*.THydrogen-bonded Turntrans-75-25.1-179.2-57-35.7000111.6E274 L275 P276 T280E274-D278 HydrophobicContact CB-CB 4.44Å; L275-D278 WeakPolarHBondContact CB-OD2 3.19Å; L275-D278 PolarHBondContact N-OD2 2.89Å; L275-D278 WeakPolarHBondContact O-CB 3.47Å; L275-D278 PolarHBondContact O-N 3.38Å; P276-D278 VanDerWaalsContact C-N 3.33Å; P276-D278 PolarHBondContact O-N 3.46Å; D278-T280 VanDerWaalsContact C-N 3.27Å; D278-T280 PolarHBondContact O-N 2.93Å
279L88.1Confident88Confident43 Ų4373.5 Ų73.523%0.22536%0.356CS..THydrogen-bonded Turntrans-80.51-177.3-62.5-178.3000114.2H245 V248 M249 E274 L275 P276 A277H245-L279 HydrophobicContact CB-CD1 4.13Å; V248-L279 HydrophobicContact CG1-CB 4.34Å; M249-L279 HydrophobicContact CG-CB 4.37Å; M249-L279 HydrophobicContact CG-CD1 3.82Å; M249-L279 HydrophobicContact SD-CD1 4.18Å; E274-L279 HydrophobicContact CB-CD2 3.98Å; E274-L279 HydrophobicContact CB-CG 4.37Å; E274-L279 HydrophobicContact CG-CD2 4.4Å; L275-L279 PolarHBondContact O-N 3.09Å; P276-L279 PolarHBondContact O-N 3.4Å; A277-L279 VanDerWaalsContact C-N 3.3Å
280T88.4Confident87.8Confident17 Ų1778.6 Ų78.610%0.10437%0.369CS..  trans-137.1144.4-177.4-170.90000114.4V248 D278 S282 I285 L286V248-T280 HydrophobicContact CG1-CG2 3.5Å; V248-T280 VanDerWaalsContact CG1-CG2 3.5Å; D278-T280 VanDerWaalsContact C-N 3.27Å; D278-T280 PolarHBondContact O-N 2.93Å; T280-S282 VanDerWaalsContact OG1-CB 3.23Å; T280-S282 WeakPolarHBondContact OG1-CB 3.47Å; T280-S282 PolarHBondContact OG1-N 3.43Å; T280-I285 HydrophobicContact CG2-CB 4.2Å; T280-I285 HydrophobicContact CG2-CG2 3.86Å; T280-L286 HydrophobicContact CG2-CD2 3.93Å; T280-L286 HydrophobicContact CG2-CG 4.1Å
281K86Confident87.5Confident204 Ų20480.9 Ų80.989%0.88739%0.385SS*.  trans-1011.4168.3-60.7-179.3-178.4177.90112N283K281-N283 PolarHBondContact O-N 3.27Å
282S88.2Confident87.2Confident28 Ų2878.1 Ų78.120%0.19637%0.374CS..  trans-77.5110.4-175.1-1750000110.8D251 T280 R284 I285 L286D251-S282 WeakPolarHBondContact OD1-CB 3.4Å; D251-S282 PolarHBondContact OD1-OG 3.36Å; T280-S282 VanDerWaalsContact OG1-CB 3.23Å; T280-S282 WeakPolarHBondContact OG1-CB 3.47Å; T280-S282 PolarHBondContact OG1-N 3.43Å; S282-R284 PolarHBondContact O-N 3.31Å; S282-R284 VanDerWaalsContact O-N 3.1Å; S282-I285 PolarHBondContact O-N 3.24Å; S282-I285 VanDerWaalsContact O-N 3.13Å; S282-L286 WeakPolarHBondContact O-CG 3.31Å; S282-L286 PolarHBondContact O-N 3.15Å
283N86.3Confident86.7Confident115 Ų11574.5 Ų74.562%0.61535%0.354SS*.Hα-helixtrans-56.4-28.9178.3-77.6-43.1000113.2K281 R287K281-N283 PolarHBondContact O-N 3.27Å; N283-R287 WeakPolarHBondContact O-CB 3.24Å; N283-R287 WeakPolarHBondContact O-CG 3.46Å; N283-R287 PolarHBondContact O-N 3.11Å; N283-R287 VanDerWaalsContact O-N 3.11Å
284R88.4Confident85.9Confident188 Ų18874.2 Ų74.271%0.70935%0.352SS*.Hα-helixtrans-69.6-47.5178.2-66.8-178178.1177.4-0.5111.2S282 R287 A288S282-R284 PolarHBondContact O-N 3.31Å; S282-R284 VanDerWaalsContact O-N 3.1Å; R284-R287 PolarHBondContact O-N 3Å; R284-A288 PolarHBondContact O-N 3.08Å; R284-A288 VanDerWaalsContact O-N 3.16Å
285I88.3Confident84.4Confident0 Ų076.9 Ų76.90%037%0.369CS..Hα-helixtrans-66.8-43179-63.4-179.8000110.5V248 D251 H253 V256 T280 S282 R287 A288 L289V248-I285 HydrophobicContact CB-CG2 4.49Å; V248-I285 HydrophobicContact CG1-CG2 4.04Å; V248-I285 HydrophobicContact CG2-CG2 3.82Å; D251-I285 WeakPolarHBondContact OD1-CD1 3.43Å; H253-I285 HydrophobicContact CB-CG1 4.24Å; V256-I285 HydrophobicContact CG1-CG2 4.35Å; V256-I285 HydrophobicContact CG2-CD1 4.47Å; V256-I285 HydrophobicContact CG2-CG2 4.13Å; T280-I285 HydrophobicContact CG2-CB 4.2Å; T280-I285 HydrophobicContact CG2-CG2 3.86Å; S282-I285 PolarHBondContact O-N 3.24Å; S282-I285 VanDerWaalsContact O-N 3.13Å; I285-R287 VanDerWaalsContact C-N 3.29Å; I285-R287 PolarHBondContact O-N 3.39Å; I285-A288 WeakPolarHBondContact O-CB 3.46Å; I285-A288 PolarHBondContact O-N 3.36Å; I285-L289 HydrophobicContact CG2-CD1 3.87Å; I285-L289 HydrophobicContact CG2-CG 4.3Å; I285-L289 WeakPolarHBondContact O-CG 3.21Å; I285-L289 PolarHBondContact O-N 2.97Å
286L87.9Confident82.6Confident36 Ų3677.1 Ų77.119%0.18838%0.383CS..Hα-helixtrans-59.2-40175.8-69.8173.6000112.3A277 T280 S282 A288 L289 R290A277-L286 HydrophobicContact CB-CD2 4.15Å; A277-L286 WeakPolarHBondContact O-CD2 3.48Å; T280-L286 HydrophobicContact CG2-CD2 3.93Å; T280-L286 HydrophobicContact CG2-CG 4.1Å; S282-L286 WeakPolarHBondContact O-CG 3.31Å; S282-L286 PolarHBondContact O-N 3.15Å; L286-A288 VanDerWaalsContact C-N 3.3Å; L286-A288 PolarHBondContact O-N 3.31Å; L286-L289 PolarHBondContact O-N 3.47Å; L286-R290 VanDerWaalsContact O-CG 3.24Å; L286-R290 WeakPolarHBondContact O-CG 3.4Å; L286-R290 PolarHBondContact O-N 3.03Å; L286-R290 VanDerWaalsContact O-N 3.08Å
287R87.6Confident80.4Confident187 Ų18781.7 Ų81.771%0.70642%0.415SS*.Hα-helixtrans-64.2-34.5174.6-77.8175-176.7-172.11.1112.6N283 R284 I285 P291N283-R287 WeakPolarHBondContact O-CB 3.24Å; N283-R287 WeakPolarHBondContact O-CG 3.46Å; N283-R287 PolarHBondContact O-N 3.11Å; N283-R287 VanDerWaalsContact O-N 3.11Å; R284-R287 PolarHBondContact O-N 3Å; I285-R287 VanDerWaalsContact C-N 3.29Å; I285-R287 PolarHBondContact O-N 3.39Å; R287-P291 VanDerWaalsContact O-CD 3.31Å; R287-P291 WeakPolarHBondContact O-CD 3.22Å
288A86.6Confident77.8Confident18 Ų1888.7 Ų88.715%0.14946%0.463CS..Hα-helixtrans-71.5-36.217600000112.5V256 N257 L260 R284 I285 L286 H292V256-A288 HydrophobicContact CG1-CB 4.32Å; N257-A288 WeakPolarHBondContact OD1-CB 3.4Å; L260-A288 HydrophobicContact CD1-CB 4.36Å; R284-A288 PolarHBondContact O-N 3.08Å; R284-A288 VanDerWaalsContact O-N 3.16Å; I285-A288 WeakPolarHBondContact O-CB 3.46Å; I285-A288 PolarHBondContact O-N 3.36Å; L286-A288 VanDerWaalsContact C-N 3.3Å; L286-A288 PolarHBondContact O-N 3.31Å; A288-H292 PolarHBondContact O-CD2 3.13Å
289L87.1Confident77.3Confident1 Ų187.8 Ų87.81%0.00546%0.458CS..Hα-helixtrans-77.6-36.7-178.4-66.9170.6000113.6L244 V248 V256 L260 P266 P276 A277 I285 L286 H292 I293L244-L289 HydrophobicContact CD1-CD2 4.35Å; L244-L289 HydrophobicContact CD2-CD2 4.08Å; L244-L289 HydrophobicContact CG-CD2 4.48Å; V248-L289 HydrophobicContact CG2-CD1 4.28Å; V256-L289 HydrophobicContact CG1-CD2 4.29Å; L260-L289 HydrophobicContact CD1-CD2 4.21Å; L260-L289 HydrophobicContact CD2-CD2 4.24Å; P266-L289 HydrophobicContact CB-CD2 3.91Å; P276-L289 HydrophobicContact CB-CD1 4.32Å; A277-L289 HydrophobicContact CB-CD1 4.12Å; I285-L289 HydrophobicContact CG2-CD1 3.87Å; I285-L289 HydrophobicContact CG2-CG 4.3Å; I285-L289 WeakPolarHBondContact O-CG 3.21Å; I285-L289 PolarHBondContact O-N 2.97Å; L286-L289 PolarHBondContact O-N 3.47Å; L289-H292 PolarHBondContact O-N 2.99Å; L289-H292 VanDerWaalsContact O-N 3.11Å; L289-I293 HydrophobicContact CB-CD1 4.05Å; L289-I293 WeakPolarHBondContact O-CG1 3.23Å; L289-I293 PolarHBondContact O-N 3.35Å; L289-I293 VanDerWaalsContact O-N 3.15Å
290R84.3Confident76.7Confident155 Ų15590.2 Ų90.259%0.58547%0.47SS*.Hα-helixtrans-50.3-47.7-173.7-83.5171.2-172.9-166.41.5115.3L286 H292 I293 L294L286-R290 VanDerWaalsContact O-CG 3.24Å; L286-R290 WeakPolarHBondContact O-CG 3.4Å; L286-R290 PolarHBondContact O-N 3.03Å; L286-R290 VanDerWaalsContact O-N 3.08Å; R290-H292 PolarHBondContact O-N 3.34Å; R290-I293 PolarHBondContact O-N 3.21Å; R290-L294 WeakPolarHBondContact O-CG 3.43Å; R290-L294 PolarHBondContact O-N 2.99Å
291P82.6Confident76.1Confident64 Ų6494.2 Ų94.242%0.41649%0.49SS..Hα-helixtrans-61.7-34.6-178.6-22.834.1000113R287 N295R287-P291 VanDerWaalsContact O-CD 3.31Å; R287-P291 WeakPolarHBondContact O-CD 3.22Å; P291-N295 VanDerWaalsContact O-CG 3.25Å; P291-N295 PolarHBondContact O-N 3.16Å; P291-N295 PolarHBondContact O-ND2 3.11Å
292H80.1Confident75.5Confident87 Ų8787.8 Ų87.840%0.40347%0.467SS..Hα-helixtrans-80.9-31.6-176.6-64.7-86.7000112.4L260 P266 A288 L289 R290 G296L260-H292 HydrophobicContact CD2-CB 4.42Å; P266-H292 HydrophobicContact CG-CB 3.67Å; A288-H292 PolarHBondContact O-CD2 3.13Å; L289-H292 PolarHBondContact O-N 2.99Å; L289-H292 VanDerWaalsContact O-N 3.11Å; R290-H292 PolarHBondContact O-N 3.34Å; H292-G296 PolarHBondContact O-N 3.29Å
293I76.8Confident74.7Confident46 Ų4691.5 Ų91.524%0.23648%0.484CS..Hα-helixtrans-68-41.2175.1-65.1168.7000111P266 A277 L289 R290 S297P266-I293 HydrophobicContact CB-CG1 4.05Å; P266-I293 HydrophobicContact CG-CG1 4.01Å; A277-I293 HydrophobicContact CB-CD1 4.01Å; L289-I293 HydrophobicContact CB-CD1 4.05Å; L289-I293 WeakPolarHBondContact O-CG1 3.23Å; L289-I293 PolarHBondContact O-N 3.35Å; L289-I293 VanDerWaalsContact O-N 3.15Å; R290-I293 PolarHBondContact O-N 3.21Å; I293-S297 PolarHBondContact O-OG 3.1Å
294L69.9Low73.9Confident122 Ų12289.9 Ų89.964%0.63948%0.475SS*.Hα-helixtrans-72-30.4-178.7-66.5170.9000113.2R290 S297R290-L294 WeakPolarHBondContact O-CG 3.43Å; R290-L294 PolarHBondContact O-N 2.99Å; L294-S297 PolarHBondContact O-OG 3.33Å
295N59.7Low72.9Confident126 Ų12682.9 Ų82.967%0.67446%0.458SS*.Hα-helixtrans-83.4-19.3179.7-70.7-11.4000113.5P291 S297P291-N295 VanDerWaalsContact O-CG 3.25Å; P291-N295 PolarHBondContact O-N 3.16Å; P291-N295 PolarHBondContact O-ND2 3.11Å; N295-S297 VanDerWaalsContact C-N 3.31Å
296G51.7Low71.7Confident56 Ų5689.3 Ų89.358%0.57749%0.494SS*.THydrogen-bonded Turntrans-83.2-2.3176.300000114.7H292H292-G296 PolarHBondContact O-N 3.29Å
297S43Very low70.4Confident96 Ų9693.8 Ų93.867%0.67152%0.519SS*.THydrogen-bonded Turntrans-101.816.8-179.711.30000113.5I293 L294 N295I293-S297 PolarHBondContact O-OG 3.1Å; L294-S297 PolarHBondContact O-OG 3.33Å; N295-S297 VanDerWaalsContact C-N 3.31Å
298S35Very low68.8Low167 Ų16785.3 Ų85.3100%1.16850%0.502SS*.  trans-104.20179.1-44.70000112.2

Retrieved 298 of 298 residues in 342.6 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).