G4VLX9_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession G4VLX9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 410 aa.

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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
1M30.5Very low69.1Low243 Ų24397.4 Ų97.4100%1.19754%0.539SS*.  0108.60-74169.8173.800107.7T3M1-T3 PolarHBondContact O-N 3.25Å; M1-T3 VanDerWaalsContact O-N 3.16Å
2S34.3Very low71.3Confident114 Ų11490.5 Ų90.580%0.79750%0.5SS*.  trans-67.8113.9176.4-167.60000107.5R4S2-R4 PolarHBondContact O-N 3.49Å
3T37.3Very low73.3Confident121 Ų12190 Ų9074%0.74250%0.495SS*.  trans-52.8116.9166.440.50000106.9M1 G5M1-T3 PolarHBondContact O-N 3.25Å; M1-T3 VanDerWaalsContact O-N 3.16Å; T3-G5 PolarHBondContact O-N 3.07Å
4R56.4Low74.8Confident207 Ų20791.6 Ų91.678%0.78149%0.489SS*.  trans-66.279.1166-80.8-177.8174.8179.9-2106S2 N6S2-R4 PolarHBondContact O-N 3.49Å; R4-N6 PolarHBondContact O-N 2.86Å
5G58.6Low76.2Confident33 Ų3391.4 Ų91.434%0.3449%0.488SS..  trans-65.5126.5178.100000108.5T3 Y7T3-G5 PolarHBondContact O-N 3.07Å; G5-Y7 VanDerWaalsContact O-CD2 3.24Å; G5-Y7 WeakPolarHBondContact O-CD2 3.31Å; G5-Y7 WeakPolarHBondContact O-CE2 3.23Å; G5-Y7 PolarHBondContact O-N 2.95Å
6N80.9Confident77.4Confident138 Ų13891.8 Ų91.874%0.73849%0.486SS*.  trans-61.9104.4164.8-84.4-25.9000107.3R4R4-N6 PolarHBondContact O-N 2.86Å
7Y88.5Confident78.3Confident40 Ų4092.8 Ų92.816%0.15749%0.485CS..  trans-76.2142.9178.5-59.5-69.5000109.8G5 D11 F12 N31 V33 N34 Q76G5-Y7 VanDerWaalsContact O-CD2 3.24Å; G5-Y7 WeakPolarHBondContact O-CD2 3.31Å; G5-Y7 WeakPolarHBondContact O-CE2 3.23Å; G5-Y7 PolarHBondContact O-N 2.95Å; Y7-D11 WeakPolarHBondContact CA-OD2 3.16Å; Y7-F12 HydrophobicContact CD2-CZ 4.19Å; Y7-F12 HydrophobicContact CG-CE2 4.48Å; Y7-F12 HydrophobicContact CG-CZ 4.3Å; Y7-N31 WeakPolarHBondContact CD1-ND2 3.43Å; Y7-N31 WeakPolarHBondContact CD2-ND2 3.42Å; Y7-N31 VanDerWaalsContact CE2-ND2 3.27Å; Y7-N31 WeakPolarHBondContact CE2-ND2 3.37Å; Y7-V33 HydrophobicContact CD1-CB 4.22Å; Y7-V33 HydrophobicContact CD1-CG2 4.06Å; Y7-V33 HydrophobicContact CE1-CB 3.75Å; Y7-V33 HydrophobicContact CE1-CG1 3.97Å; Y7-V33 HydrophobicContact CE1-CG2 4.09Å; Y7-N34 PolarHBondContact OH-ND2 3.23Å; Y7-N34 VanDerWaalsContact OH-ND2 3.07Å; Y7-Q76 PolarHBondContact O-NE2 2.86Å; Y7-Q76 PolarHBondContact O-OE1 2.8Å
8A91.6Very high78.9Confident42 Ų4291.2 Ų91.235%0.34748%0.476SS..  trans-76.7160.8170.500000110.1S10 D11 F12A8-S10 WeakPolarHBondContact CB-OG 3.44Å; A8-S10 PolarHBondContact O-N 2.92Å; A8-D11 PolarHBondContact N-OD2 3.02Å; A8-D11 VanDerWaalsContact O-CB 3.32Å; A8-D11 WeakPolarHBondContact O-CB 3.43Å; A8-D11 PolarHBondContact O-N 3.2Å; A8-F12 VanDerWaalsContact O-CD2 3.32Å; A8-F12 WeakPolarHBondContact O-CD2 3.46Å
9L92.8Very high79.1Confident19 Ų1987.8 Ų87.810%0.09947%0.466CS..G310 helixtrans-58.3-34.3173.7-174.562.8000111.2D11 F12 L40 I78 E80 Y85L9-D11 PolarHBondContact O-N 3.09Å; L9-F12 PolarHBondContact O-N 2.78Å; L9-L40 HydrophobicContact CD1-CD1 4.04Å; L9-L40 HydrophobicContact CD1-CD2 3.63Å; L9-L40 HydrophobicContact CD1-CG 4.47Å; L9-I78 HydrophobicContact CB-CG2 4.16Å; L9-E80 WeakPolarHBondContact CB-OE2 3.45Å; L9-E80 WeakPolarHBondContact CD2-OE2 3.48Å; L9-Y85 HydrophobicContact CD1-CD1 4.12Å; L9-Y85 HydrophobicContact CD1-CD2 4.47Å; L9-Y85 HydrophobicContact CD1-CE1 4.39Å; L9-Y85 HydrophobicContact CD1-CG 4.16Å; L9-Y85 HydrophobicContact CD2-CD1 4.5Å; L9-Y85 HydrophobicContact CD2-CD2 4.14Å; L9-Y85 HydrophobicContact CD2-CE1 4.09Å; L9-Y85 HydrophobicContact CD2-CE2 3.71Å
10S94.2Very high79.3Confident75 Ų7588.6 Ų88.652%0.52447%0.467SS..G310 helixtrans-62.1-17.8176.262.10000113.5A8 F12 K32A8-S10 WeakPolarHBondContact CB-OG 3.44Å; A8-S10 PolarHBondContact O-N 2.92Å; S10-F12 VanDerWaalsContact C-N 3.29Å; S10-K32 WeakPolarHBondContact O-CE 3.19Å; S10-K32 PolarHBondContact O-NZ 3.02Å
11D95.2Very high78.8Confident39 Ų3986.3 Ų86.321%0.20946%0.464CS..G310 helixtrans-77.7-13174.8-65.8-39.8000113.1Y7 A8 L9 K32 V33Y7-D11 WeakPolarHBondContact CA-OD2 3.16Å; A8-D11 PolarHBondContact N-OD2 3.02Å; A8-D11 VanDerWaalsContact O-CB 3.32Å; A8-D11 WeakPolarHBondContact O-CB 3.43Å; A8-D11 PolarHBondContact O-N 3.2Å; L9-D11 PolarHBondContact O-N 3.09Å; D11-K32 WeakPolarHBondContact O-CB 3.43Å; D11-K32 WeakPolarHBondContact O-CG 3.44Å; D11-K32 PolarHBondContact O-N 3.19Å; D11-V33 HydrophobicContact CB-CG2 4.32Å
12F95.9Very high80.4Confident15 Ų1577.7 Ų77.77%0.06643%0.426CS..EExtended strand (participates in β ladder)trans-103.7118.9-178.4-63.6-87000111.7Y7 A8 L9 S10 C29 N31 A38 I78 V87Y7-F12 HydrophobicContact CD2-CZ 4.19Å; Y7-F12 HydrophobicContact CG-CE2 4.48Å; Y7-F12 HydrophobicContact CG-CZ 4.3Å; A8-F12 VanDerWaalsContact O-CD2 3.32Å; A8-F12 WeakPolarHBondContact O-CD2 3.46Å; L9-F12 PolarHBondContact O-N 2.78Å; S10-F12 VanDerWaalsContact C-N 3.29Å; F12-C29 HydrophobicContact CB-CB 4.1Å; F12-C29 HydrophobicContact CD1-CB 4.19Å; F12-N31 HydrophobicContact CD1-CB 4.05Å; F12-N31 HydrophobicContact CE1-CB 3.87Å; F12-A38 HydrophobicContact CD1-CB 4.33Å; F12-A38 HydrophobicContact CE1-CB 4.01Å; F12-I78 HydrophobicContact CD2-CD1 4.24Å; F12-I78 HydrophobicContact CE2-CD1 3.72Å; F12-V87 HydrophobicContact CE1-CG1 3.79Å; F12-V87 HydrophobicContact CE2-CG2 4.17Å; F12-V87 HydrophobicContact CZ-CG1 3.74Å; F12-V87 HydrophobicContact CZ-CG2 4.01Å
13I96.4Very high82.1Confident84 Ų8474.3 Ų74.343%0.43140%0.396SS..EExtended strand (participates in β ladder)trans-84.2118169.4-60.4169.7000107.9L15 C29 K30 K32I13-L15 HydrophobicContact CG2-CD2 4.08Å; I13-C29 CarbonylContact O-C 3.55Å; I13-C29 WeakPolarHBondContact O-CA 3.17Å; I13-K30 PolarHBondContact N-O 3.29Å; I13-K30 PolarHBondContact O-N 2.97Å; I13-K32 HydrophobicContact CD1-CD 3.79Å; I13-K32 HydrophobicContact CD1-CG 3.51Å; I13-K32 HydrophobicContact CG1-CD 3.75Å; I13-K32 HydrophobicContact CG1-CG 3.61Å
14R95.1Very high84.1Confident112 Ų11268.7 Ų68.742%0.42336%0.361SS..EExtended strand (participates in β ladder)trans-71.7126.5171.3-65.1-176.8-171.7158.110109.5
15L95.8Very high85.6Confident89 Ų8959.4 Ų59.447%0.46633%0.328SS..EExtended strand (participates in β ladder)trans-101.9-57.4-178.4-59.4177.1000110.9I13 K28 K30 F37I13-L15 HydrophobicContact CG2-CD2 4.08Å; L15-K28 HydrophobicContact CD1-CG 4.4Å; L15-K28 PolarHBondContact N-O 3.39Å; L15-K30 HydrophobicContact CD1-CB 4.12Å; L15-F37 HydrophobicContact CD1-CD1 3.89Å; L15-F37 HydrophobicContact CD1-CE1 3.5Å
16E94.9Very high87.1Confident97 Ų9759.3 Ų59.345%0.45332%0.32SS..EExtended strand (participates in β ladder)trans-147.1153.2-176.859-178.8155.100110.6I18 Y27 K28E16-I18 HydrophobicContact CG-CG2 3.82Å; E16-Y27 CarbonylContact O-C 3.56Å; E16-Y27 WeakPolarHBondContact O-CA 3.27Å; E16-K28 HydrophobicContact CG-CB 3.79Å; E16-K28 HydrophobicContact CG-CD 3.87Å; E16-K28 HydrophobicContact CG-CG 4.5Å; E16-K28 PolarHBondContact O-N 2.77Å; E16-K28 WeakPolarHBondContact OE1-CD 3.24Å; E16-K28 IonicContact OE1-NZ 3.59Å; E16-K28 PolarHBondContact OE1-NZ 3.48Å
17K93.6Very high87.8Confident110 Ų11055.3 Ų55.348%0.47830%0.295SS..EExtended strand (participates in β ladder)trans-84.3117.9170.3178.1-179.2169.4-167.50108.1E20 V25 Y27K17-E20 WeakPolarHBondContact CE-OE2 3.31Å; K17-E20 IonicContact NZ-OE2 2.88Å; K17-E20 PolarHBondContact NZ-OE2 3.24Å; K17-V25 HydrophobicContact CD-CG1 3.85Å; K17-V25 HydrophobicContact CG-CG1 3.76Å; K17-Y27 HydrophobicContact CB-CD1 4.05Å; K17-Y27 HydrophobicContact CB-CE1 4.01Å; K17-Y27 HydrophobicContact CG-CE1 4.34Å
18I89.1Confident88.1Confident63 Ų6355.1 Ų55.132%0.32330%0.295SS..EExtended strand (participates in β ladder)trans-103.3-16.1-175.760.4177.1000113.4E16 V26 K28 A39 Y90E16-I18 HydrophobicContact CG-CG2 3.82Å; I18-V26 HydrophobicContact CD1-CG1 3.74Å; I18-V26 HydrophobicContact CG1-CB 3.96Å; I18-V26 HydrophobicContact CG1-CG1 3.67Å; I18-V26 WeakPolarHBondContact CG1-O 3.26Å; I18-V26 PolarHBondContact N-O 3.16Å; I18-K28 HydrophobicContact CD1-CB 4.35Å; I18-K28 HydrophobicContact CG2-CB 3.73Å; I18-A39 HydrophobicContact CD1-CB 4.35Å; I18-Y90 HydrophobicContact CD1-CD2 4.22Å; I18-Y90 HydrophobicContact CD1-CE2 3.87Å
19G82.7Confident88.4Confident27 Ų2753.1 Ų53.128%0.27828%0.279SS..EExtended strand (participates in β ladder)trans-162.9151.6176.900000112.5V26G19-V26 PolarHBondContact N-O 2.92Å; G19-V26 PolarHBondContact O-N 3.06Å
20E81.7Confident88.6Confident104 Ų10456.6 Ų56.649%0.48629%0.293SS..EExtended strand (participates in β ladder)trans-138.8132.7166.1176.4174.8-179.700107.7K17 G24 V25 R44K17-E20 WeakPolarHBondContact CE-OE2 3.31Å; K17-E20 IonicContact NZ-OE2 2.88Å; K17-E20 PolarHBondContact NZ-OE2 3.24Å; E20-G24 WeakPolarHBondContact CA-O 3.38Å; E20-V25 HydrophobicContact CG-CG2 4.2Å; E20-R44 IonicContact OE1-CZ 2.69Å; E20-R44 IonicContact OE1-NH1 2.7Å; E20-R44 PolarHBondContact OE1-NH1 3.46Å; E20-R44 IonicContact OE1-NH2 3.82Å; E20-R44 PolarHBondContact OE1-NH2 3.44Å
21G69.2Low88.7Confident40 Ų4053.1 Ų53.141%0.41227%0.269SS..EExtended strand (participates in β ladder)trans-139.4-175.5173.500000110.4Y23 G24G21-Y23 PolarHBondContact O-N 3.29Å; G21-Y23 VanDerWaalsContact O-N 3.11Å; G21-G24 PolarHBondContact N-O 3.38Å; G21-G24 PolarHBondContact O-N 3.39Å; G21-G24 VanDerWaalsContact O-N 3.14Å
22T65.1Low88.7Confident63 Ų6357 Ų5739%0.38728%0.284SS..THydrogen-bonded Turntrans-49.6-41.2178.7-48.50000112.1L169T22-L169 HydrophobicContact CG2-CD2 3.8Å
23Y69.3Low88.5Confident43 Ų4360.9 Ų60.917%0.16931%0.308CS..THydrogen-bonded Turntrans-88.9-5-170.8-50-66000114.3G21 I43 R44 L158G21-Y23 PolarHBondContact O-N 3.29Å; G21-Y23 VanDerWaalsContact O-N 3.11Å; Y23-I43 WeakPolarHBondContact O-CA 3.48Å; Y23-R44 PolarHBondContact O-N 3.18Å; Y23-L158 HydrophobicContact CD1-CD2 3.9Å; Y23-L158 HydrophobicContact CD2-CD2 4.45Å; Y23-L158 HydrophobicContact CD2-CG 4.44Å; Y23-L158 HydrophobicContact CE1-CD1 4.36Å; Y23-L158 HydrophobicContact CE1-CD2 3.28Å; Y23-L158 HydrophobicContact CE1-CG 4.14Å; Y23-L158 HydrophobicContact CE2-CD1 3.6Å; Y23-L158 HydrophobicContact CE2-CD2 3.91Å; Y23-L158 HydrophobicContact CE2-CG 3.82Å; Y23-L158 HydrophobicContact CG-CD2 4.45Å; Y23-L158 VanDerWaalsContact CZ-CD1 3.46Å; Y23-L158 WeakPolarHBondContact OH-CD1 3.42Å; Y23-L158 WeakPolarHBondContact OH-CD2 3.46Å
24G79.6Confident88.4Confident2 Ų259.8 Ų59.82%0.02130%0.303CS..EExtended strand (participates in β ladder)trans145.4-160176.600000115.2E20 G21 K42E20-G24 WeakPolarHBondContact CA-O 3.38Å; G21-G24 PolarHBondContact N-O 3.38Å; G21-G24 PolarHBondContact O-N 3.39Å; G21-G24 VanDerWaalsContact O-N 3.14Å; G24-K42 VanDerWaalsContact CA-O 3.26Å; G24-K42 WeakPolarHBondContact CA-O 3.37Å
25V87Confident88.3Confident13 Ų1356.2 Ų56.28%0.07930%0.301CS..EExtended strand (participates in β ladder)trans-122.9132.2-171.1-172.70000109.3K17 E20 Y27 K41 K42K17-V25 HydrophobicContact CD-CG1 3.85Å; K17-V25 HydrophobicContact CG-CG1 3.76Å; E20-V25 HydrophobicContact CG-CG2 4.2Å; V25-Y27 HydrophobicContact CB-CE2 3.82Å; V25-Y27 HydrophobicContact CG1-CD2 4.15Å; V25-Y27 HydrophobicContact CG1-CE1 4.08Å; V25-Y27 HydrophobicContact CG1-CE2 3.48Å; V25-Y27 VanDerWaalsContact CG1-CE2 3.48Å; V25-Y27 VanDerWaalsContact CG1-CZ 3.43Å; V25-K41 CarbonylContact O-C 3.58Å; V25-K41 WeakPolarHBondContact O-CA 3.39Å; V25-K42 PolarHBondContact N-O 3.25Å; V25-K42 PolarHBondContact O-N 3.44Å
26V91.1Very high88.2Confident30 Ų3058.8 Ų58.818%0.18231%0.309CS..EExtended strand (participates in β ladder)trans-104.9126.6177.1-167.50000109I18 G19 A39 L40 K41I18-V26 HydrophobicContact CD1-CG1 3.74Å; I18-V26 HydrophobicContact CG1-CB 3.96Å; I18-V26 HydrophobicContact CG1-CG1 3.67Å; I18-V26 WeakPolarHBondContact CG1-O 3.26Å; I18-V26 PolarHBondContact N-O 3.16Å; G19-V26 PolarHBondContact N-O 2.92Å; G19-V26 PolarHBondContact O-N 3.06Å; V26-A39 HydrophobicContact CG1-CB 4.17Å; V26-L40 WeakPolarHBondContact CA-O 3.45Å; V26-K41 HydrophobicContact CG2-CB 4.14Å; V26-K41 HydrophobicContact CG2-CD 4.07Å; V26-K41 HydrophobicContact CG2-CG 3.92Å
27Y94.8Very high88.3Confident54 Ų5458.8 Ų58.821%0.21231%0.308CS..EExtended strand (participates in β ladder)trans-112.8138.8174.8-60.8-87.4000109.7E16 K17 V25 A39 L40E16-Y27 CarbonylContact O-C 3.56Å; E16-Y27 WeakPolarHBondContact O-CA 3.27Å; K17-Y27 HydrophobicContact CB-CD1 4.05Å; K17-Y27 HydrophobicContact CB-CE1 4.01Å; K17-Y27 HydrophobicContact CG-CE1 4.34Å; V25-Y27 HydrophobicContact CB-CE2 3.82Å; V25-Y27 HydrophobicContact CG1-CD2 4.15Å; V25-Y27 HydrophobicContact CG1-CE1 4.08Å; V25-Y27 HydrophobicContact CG1-CE2 3.48Å; V25-Y27 VanDerWaalsContact CG1-CE2 3.48Å; V25-Y27 VanDerWaalsContact CG1-CZ 3.43Å; Y27-A39 CarbonylContact O-C 3.58Å; Y27-A39 WeakPolarHBondContact O-CA 3.45Å; Y27-L40 PolarHBondContact N-O 3.07Å; Y27-L40 PolarHBondContact O-N 3.26Å
28K95.9Very high88.4Confident37 Ų3753.7 Ų53.716%0.16129%0.286CS..EExtended strand (participates in β ladder)trans-75.8130.1159.7-179.7-173.7-175.3169.80108.1L15 E16 I18 F37 Y90L15-K28 HydrophobicContact CD1-CG 4.4Å; L15-K28 PolarHBondContact N-O 3.39Å; E16-K28 HydrophobicContact CG-CB 3.79Å; E16-K28 HydrophobicContact CG-CD 3.87Å; E16-K28 HydrophobicContact CG-CG 4.5Å; E16-K28 PolarHBondContact O-N 2.77Å; E16-K28 WeakPolarHBondContact OE1-CD 3.24Å; E16-K28 IonicContact OE1-NZ 3.59Å; E16-K28 PolarHBondContact OE1-NZ 3.48Å; I18-K28 HydrophobicContact CD1-CB 4.35Å; I18-K28 HydrophobicContact CG2-CB 3.73Å; K28-F37 HydrophobicContact CG-CD1 4.4Å; K28-Y90 HydrophobicContact CB-CD2 4.48Å; K28-Y90 HydrophobicContact CB-CE2 4.08Å; K28-Y90 HydrophobicContact CD-CE1 4.15Å; K28-Y90 HydrophobicContact CD-CE2 3.95Å; K28-Y90 HydrophobicContact CG-CD2 4.09Å; K28-Y90 HydrophobicContact CG-CE1 4.39Å; K28-Y90 HydrophobicContact CG-CE2 3.79Å; K28-Y90 PolarHBondContact NZ-OH 3.33Å
29C97Very high88.6Confident0 Ų051.2 Ų51.20%028%0.275CS..EExtended strand (participates in β ladder)trans-126.1157.1-179.4-68.70000110.6F12 I13 F37 A38 L40F12-C29 HydrophobicContact CB-CB 4.1Å; F12-C29 HydrophobicContact CD1-CB 4.19Å; I13-C29 CarbonylContact O-C 3.55Å; I13-C29 WeakPolarHBondContact O-CA 3.17Å; C29-F37 CarbonylContact O-C 3.53Å; C29-F37 VanDerWaalsContact O-CA 3.27Å; C29-F37 WeakPolarHBondContact O-CA 3.46Å; C29-A38 PolarHBondContact N-O 3.35Å; C29-A38 PolarHBondContact O-N 2.9Å; C29-L40 HydrophobicContact CB-CB 4.49Å; C29-L40 VanDerWaalsContact SG-CB 3.55Å
30K96.9Very high89.1Confident91 Ų9150 Ų5040%0.39626%0.262SS..EExtended strand (participates in β ladder)trans-114.2125.6164.9-171.9174.2-175.7179.50109I13 L15 K32 G35 F37I13-K30 PolarHBondContact N-O 3.29Å; I13-K30 PolarHBondContact O-N 2.97Å; L15-K30 HydrophobicContact CD1-CB 4.12Å; K30-K32 PolarHBondContact O-N 3.06Å; K30-G35 WeakPolarHBondContact CE-O 3.32Å; K30-F37 HydrophobicContact CB-CD1 4.33Å; K30-F37 HydrophobicContact CB-CE1 4.41Å
31N95.5Very high89.5Confident2 Ų245.7 Ų45.71%0.01124%0.242CC..EExtended strand (participates in β ladder)trans-74122.7172.7179.2-45.1000108.7Y7 F12 V33 N34 G35 K36Y7-N31 WeakPolarHBondContact CD1-ND2 3.43Å; Y7-N31 WeakPolarHBondContact CD2-ND2 3.42Å; Y7-N31 VanDerWaalsContact CE2-ND2 3.27Å; Y7-N31 WeakPolarHBondContact CE2-ND2 3.37Å; F12-N31 HydrophobicContact CD1-CB 4.05Å; F12-N31 HydrophobicContact CE1-CB 3.87Å; N31-V33 VanDerWaalsContact C-N 3.3Å; N31-V33 PolarHBondContact O-N 3.13Å; N31-V33 WeakPolarHBondContact OD1-CA 3.4Å; N31-V33 WeakPolarHBondContact OD1-CB 3.34Å; N31-V33 PolarHBondContact OD1-N 3.48Å; N31-N34 VanDerWaalsContact CB-OD1 3.3Å; N31-N34 WeakPolarHBondContact CB-OD1 3.31Å; N31-N34 PolarHBondContact OD1-N 3.12Å; N31-N34 VanDerWaalsContact OD1-N 3.14Å; N31-G35 WeakPolarHBondContact O-CA 3.34Å; N31-G35 PolarHBondContact O-N 3.43Å; N31-K36 PolarHBondContact N-O 3.27Å
32K95.6Very high90.5Very high120 Ų12046.3 Ų46.352%0.52223%0.233SC..THydrogen-bonded Turntrans-68.8-28.2-177.2-69.9-176.8-67177.10113.4S10 D11 I13 K30S10-K32 WeakPolarHBondContact O-CE 3.19Å; S10-K32 PolarHBondContact O-NZ 3.02Å; D11-K32 WeakPolarHBondContact O-CB 3.43Å; D11-K32 WeakPolarHBondContact O-CG 3.44Å; D11-K32 PolarHBondContact O-N 3.19Å; I13-K32 HydrophobicContact CD1-CD 3.79Å; I13-K32 HydrophobicContact CD1-CG 3.51Å; I13-K32 HydrophobicContact CG1-CD 3.75Å; I13-K32 HydrophobicContact CG1-CG 3.61Å; K30-K32 PolarHBondContact O-N 3.06Å
33V93Very high91.4Very high97 Ų9744.5 Ų44.559%0.58822%0.221SC*.THydrogen-bonded Turntrans-78.6-46.9-174.5-176.10000110.7Y7 D11 N31Y7-V33 HydrophobicContact CD1-CB 4.22Å; Y7-V33 HydrophobicContact CD1-CG2 4.06Å; Y7-V33 HydrophobicContact CE1-CB 3.75Å; Y7-V33 HydrophobicContact CE1-CG1 3.97Å; Y7-V33 HydrophobicContact CE1-CG2 4.09Å; D11-V33 HydrophobicContact CB-CG2 4.32Å; N31-V33 VanDerWaalsContact C-N 3.3Å; N31-V33 PolarHBondContact O-N 3.13Å; N31-V33 WeakPolarHBondContact OD1-CA 3.4Å; N31-V33 WeakPolarHBondContact OD1-CB 3.34Å; N31-V33 PolarHBondContact OD1-N 3.48Å
34N92.9Very high91.7Very high61 Ų6148.6 Ų48.633%0.32624%0.236SC..THydrogen-bonded Turntrans-107.9-6.1-175.57025.2000114.2Y7 N31 K36Y7-N34 PolarHBondContact OH-ND2 3.23Å; Y7-N34 VanDerWaalsContact OH-ND2 3.07Å; N31-N34 VanDerWaalsContact CB-OD1 3.3Å; N31-N34 WeakPolarHBondContact CB-OD1 3.31Å; N31-N34 PolarHBondContact OD1-N 3.12Å; N31-N34 VanDerWaalsContact OD1-N 3.14Å; N34-K36 PolarHBondContact O-N 3.44Å; N34-K36 VanDerWaalsContact OD1-CB 3.27Å; N34-K36 WeakPolarHBondContact OD1-CB 3.32Å; N34-K36 PolarHBondContact OD1-N 3.11Å
35G93.5Very high91.2Very high37 Ų3750.2 Ų50.238%0.38124%0.244SC..  trans73.8-1.9179.300000115.8K30 N31K30-G35 WeakPolarHBondContact CE-O 3.32Å; N31-G35 WeakPolarHBondContact O-CA 3.34Å; N31-G35 PolarHBondContact O-N 3.43Å
36K94.5Very high90.2Very high143 Ų14354.7 Ų54.762%0.62226%0.264SS*.  trans-77.4150-177.3-63.3-176177.1-178.60112N31 N34N31-K36 PolarHBondContact N-O 3.27Å; N34-K36 PolarHBondContact O-N 3.44Å; N34-K36 VanDerWaalsContact OD1-CB 3.27Å; N34-K36 WeakPolarHBondContact OD1-CB 3.32Å; N34-K36 PolarHBondContact OD1-N 3.11Å
37F95.7Very high88.9Confident98 Ų9857.7 Ų57.743%0.4328%0.279SS..EExtended strand (participates in β ladder)trans-78144.8169.1-65.4-72.8000110.9L15 K28 C29 K30 Y90L15-F37 HydrophobicContact CD1-CD1 3.89Å; L15-F37 HydrophobicContact CD1-CE1 3.5Å; K28-F37 HydrophobicContact CG-CD1 4.4Å; C29-F37 CarbonylContact O-C 3.53Å; C29-F37 VanDerWaalsContact O-CA 3.27Å; C29-F37 WeakPolarHBondContact O-CA 3.46Å; K30-F37 HydrophobicContact CB-CD1 4.33Å; K30-F37 HydrophobicContact CB-CE1 4.41Å; F37-Y90 HydrophobicContact CB-CD1 3.76Å; F37-Y90 HydrophobicContact CB-CG 4.07Å; F37-Y90 HydrophobicContact CG-CD1 4.43Å
38A95.4Very high87.3Confident2 Ų260.3 Ų60.32%0.01730%0.296CS..EExtended strand (participates in β ladder)trans-138.9153.8176.100000110.3F12 C29 V87 F88F12-A38 HydrophobicContact CD1-CB 4.33Å; F12-A38 HydrophobicContact CE1-CB 4.01Å; C29-A38 PolarHBondContact N-O 3.35Å; C29-A38 PolarHBondContact O-N 2.9Å; A38-V87 HydrophobicContact CB-CG1 3.88Å; A38-F88 WeakPolarHBondContact CA-O 2.91Å
39A94.4Very high85.7Confident12 Ų1268 Ų6810%0.09933%0.333CS..EExtended strand (participates in β ladder)trans-99.6113.5169.500000109I18 V26 Y27 F88 Y90I18-A39 HydrophobicContact CD1-CB 4.35Å; V26-A39 HydrophobicContact CG1-CB 4.17Å; Y27-A39 CarbonylContact O-C 3.58Å; Y27-A39 WeakPolarHBondContact O-CA 3.45Å; A39-F88 HydrophobicContact CB-CB 4.25Å; A39-F88 PolarHBondContact N-O 2.95Å; A39-F88 PolarHBondContact O-N 3.23Å; A39-Y90 HydrophobicContact CB-CD2 4.34Å
40L93.8Very high84.2Confident0 Ų075.6 Ų75.60%037%0.368CS..EExtended strand (participates in β ladder)trans-98.5106.2179.3-173.181.5000109.6L9 V26 Y27 C29 Y85 L86 V87L9-L40 HydrophobicContact CD1-CD1 4.04Å; L9-L40 HydrophobicContact CD1-CD2 3.63Å; L9-L40 HydrophobicContact CD1-CG 4.47Å; V26-L40 WeakPolarHBondContact CA-O 3.45Å; Y27-L40 PolarHBondContact N-O 3.07Å; Y27-L40 PolarHBondContact O-N 3.26Å; C29-L40 HydrophobicContact CB-CB 4.49Å; C29-L40 VanDerWaalsContact SG-CB 3.55Å; L40-Y85 HydrophobicContact CD1-CD1 4.34Å; L40-Y85 HydrophobicContact CD2-CD1 3.88Å; L40-Y85 HydrophobicContact CD2-CE1 4.42Å; L40-Y85 HydrophobicContact CG-CD1 4.08Å; L40-L86 CarbonylContact C-O 3.55Å; L40-L86 WeakPolarHBondContact CA-O 3.44Å; L40-V87 HydrophobicContact CD1-CG2 3.72Å
41K90.1Very high82.7Confident15 Ų1572.1 Ų72.17%0.06536%0.358CS..EExtended strand (participates in β ladder)trans-92.1108.1174.3-173.6166.4-177.1165.40109.7V25 V26 I43 Y85 L86 F88 D155V25-K41 CarbonylContact O-C 3.58Å; V25-K41 WeakPolarHBondContact O-CA 3.39Å; V26-K41 HydrophobicContact CG2-CB 4.14Å; V26-K41 HydrophobicContact CG2-CD 4.07Å; V26-K41 HydrophobicContact CG2-CG 3.92Å; K41-I43 HydrophobicContact CD-CD1 4.31Å; K41-I43 HydrophobicContact CG-CD1 4.04Å; K41-Y85 WeakPolarHBondContact O-CA 3.32Å; K41-L86 HydrophobicContact CB-CB 4.3Å; K41-L86 PolarHBondContact N-O 3.45Å; K41-L86 PolarHBondContact O-N 2.87Å; K41-F88 HydrophobicContact CB-CD2 4.48Å; K41-F88 HydrophobicContact CB-CE2 4.1Å; K41-D155 IonicContact NZ-OD1 2.73Å; K41-D155 PolarHBondContact NZ-OD1 3.2Å; K41-D155 IonicContact NZ-OD2 3.85Å; K41-D155 PolarHBondContact NZ-OD2 3.11Å
42K88.9Confident81.4Confident52 Ų5272.9 Ų72.923%0.22636%0.363CS..EExtended strand (participates in β ladder)trans-79.2117.3168.8-178.7-173.1175.6-169.70108.4G24 V25 Y85G24-K42 VanDerWaalsContact CA-O 3.26Å; G24-K42 WeakPolarHBondContact CA-O 3.37Å; V25-K42 PolarHBondContact N-O 3.25Å; V25-K42 PolarHBondContact O-N 3.44Å; K42-Y85 HydrophobicContact CB-CD1 3.83Å; K42-Y85 HydrophobicContact CB-CE1 3.7Å; K42-Y85 HydrophobicContact CD-CE1 3.97Å; K42-Y85 HydrophobicContact CG-CD1 4.06Å; K42-Y85 HydrophobicContact CG-CE1 3.57Å
43I83.5Confident80Confident25 Ų2570 Ų7013%0.12836%0.357CS..EExtended strand (participates in β ladder)trans-76.7138.8177.1-55-61.3000109.8Y23 K41 L84 L86Y23-I43 WeakPolarHBondContact O-CA 3.48Å; K41-I43 HydrophobicContact CD-CD1 4.31Å; K41-I43 HydrophobicContact CG-CD1 4.04Å; I43-L84 HydrophobicContact CB-CB 4.17Å; I43-L84 HydrophobicContact CG1-CB 4.29Å; I43-L84 HydrophobicContact CG1-CD2 4.16Å; I43-L84 HydrophobicContact CG1-CG 4.29Å; I43-L84 PolarHBondContact N-O 2.88Å; I43-L86 HydrophobicContact CD1-CD1 3.9Å; I43-L86 HydrophobicContact CD1-CG 4.21Å; I43-L86 HydrophobicContact CG1-CD1 4.34Å; I43-L86 HydrophobicContact CG1-CG 4.19Å
44R75.6Confident78.7Confident129 Ų12969.8 Ų69.849%0.48736%0.36SS..PPolyproline II helixtrans-85.9124.6168.9-82.4173.1176.91730109.1E20 Y23E20-R44 IonicContact OE1-CZ 2.69Å; E20-R44 IonicContact OE1-NH1 2.7Å; E20-R44 PolarHBondContact OE1-NH1 3.46Å; E20-R44 IonicContact OE1-NH2 3.82Å; E20-R44 PolarHBondContact OE1-NH2 3.44Å; Y23-R44 PolarHBondContact O-N 3.18Å
45L70.3Confident77.2Confident36 Ų3669.9 Ų69.919%0.18836%0.362CS..PPolyproline II helixtrans-98.4144.5169-63.4160.3000107.6V52 G82L45-V52 HydrophobicContact CD1-CG2 3.69Å; L45-V52 HydrophobicContact CD2-CB 4.42Å; L45-V52 HydrophobicContact CD2-CG1 4.46Å; L45-V52 HydrophobicContact CD2-CG2 4.14Å; L45-V52 HydrophobicContact CG-CG2 4.48Å; L45-G82 WeakPolarHBondContact CD1-O 3.38Å
46E65Low75.9Confident108 Ų10868.2 Ų68.251%0.50535%0.345SS..SBendtrans-74-32.2177.6-65.9-163.9135.800111.8P165 R167E46-P165 WeakPolarHBondContact OE2-CG 3.44Å; E46-R167 VanDerWaalsContact OE1-CG 3.3Å; E46-R167 WeakPolarHBondContact OE1-CG 3.42Å; E46-R167 IonicContact OE1-CZ 2.83Å; E46-R167 IonicContact OE1-NE 3.43Å; E46-R167 PolarHBondContact OE1-NE 3.15Å; E46-R167 IonicContact OE1-NH2 2.98Å
47N64.2Low74.7Confident93 Ų9364 Ų6450%0.49733%0.329SS..  trans-117.9104.6173.6-74.8-18.5000110.1E49 E50N47-E49 PolarHBondContact O-N 3.07Å; N47-E50 HydrophobicContact CB-CB 4.38Å; N47-E50 PolarHBondContact ND2-OE2 3.14Å
48D61.2Low73.3Confident108 Ų10868.6 Ų68.658%0.57834%0.343SS*.THydrogen-bonded Turntrans-64-18175.2-93.2-5.2000112.1
49E62.8Low71.7Confident198 Ų19870.1 Ų70.193%0.92535%0.35SS*.THydrogen-bonded Turntrans-84.1-34.2-177.6-63.2-165.1165.800114.7N47 G51N47-E49 PolarHBondContact O-N 3.07Å; E49-G51 VanDerWaalsContact C-N 3.25Å; E49-G51 PolarHBondContact O-N 3.39Å
50E65.1Low70.7Confident160 Ų16070.2 Ų70.275%0.74835%0.349SS*.THydrogen-bonded Turntrans-80.7-8.6179.8-78.7178.4138.200112.8N47N47-E50 HydrophobicContact CB-CB 4.38Å; N47-E50 PolarHBondContact ND2-OE2 3.14Å
51G65.8Low69.4Low18 Ų1872.6 Ų72.619%0.18637%0.366CS..  trans65.2-156.6-173.200000112.1E49E49-G51 VanDerWaalsContact C-N 3.25Å; E49-G51 PolarHBondContact O-N 3.39Å
52V67.6Low68.3Low19 Ų1976.1 Ų76.112%0.11539%0.385CS..SBendtrans-89.9125.2-177.8-174.30000109.1L45 S54 A56 I57 M79 L84L45-V52 HydrophobicContact CD1-CG2 3.69Å; L45-V52 HydrophobicContact CD2-CB 4.42Å; L45-V52 HydrophobicContact CD2-CG1 4.46Å; L45-V52 HydrophobicContact CD2-CG2 4.14Å; L45-V52 HydrophobicContact CG-CG2 4.48Å; V52-S54 PolarHBondContact O-N 3Å; V52-A56 HydrophobicContact CG1-CB 4.06Å; V52-I57 HydrophobicContact CB-CG1 4.27Å; V52-I57 HydrophobicContact CG1-CD1 4.46Å; V52-I57 HydrophobicContact CG1-CG1 3.71Å; V52-M79 HydrophobicContact CB-CE 4.15Å; V52-M79 HydrophobicContact CG2-CE 4.17Å; V52-L84 HydrophobicContact CG1-CD2 4Å; V52-L84 HydrophobicContact CG2-CB 3.74Å
53P66.3Low67.5Low58 Ų5875 Ų7538%0.37738%0.381SS..  trans-56.2137.3173.9-22.231.2000111.1T55 A56 I57P53-T55 PolarHBondContact O-N 3.4Å; P53-T55 VanDerWaalsContact O-N 3.15Å; P53-A56 HydrophobicContact CB-CB 4.36Å; P53-A56 WeakPolarHBondContact O-CB 3.42Å; P53-A56 PolarHBondContact O-N 2.96Å; P53-I57 PolarHBondContact O-N 3.21Å
54S66.9Low67.3Low94 Ų9477.6 Ų77.666%0.65739%0.391SS*.Hα-helixtrans-58.8-29.617958.80000112.8V52 I57 R58V52-S54 PolarHBondContact O-N 3Å; S54-I57 PolarHBondContact O-N 2.83Å; S54-R58 PolarHBondContact O-N 2.99Å
55T61.7Low67.5Low62 Ų6277.3 Ų77.338%0.3840%0.396SS..Hα-helixtrans-61.4-48.4172.152.50000111.5P53 I57 R58 E59P53-T55 PolarHBondContact O-N 3.4Å; P53-T55 VanDerWaalsContact O-N 3.15Å; T55-I57 VanDerWaalsContact C-N 3.31Å; T55-I57 PolarHBondContact O-N 2.77Å; T55-R58 WeakPolarHBondContact O-CB 3.38Å; T55-R58 PolarHBondContact O-N 3.11Å; T55-R58 VanDerWaalsContact O-N 3.11Å; T55-E59 WeakPolarHBondContact O-CB 3.37Å; T55-E59 VanDerWaalsContact O-CG 3.26Å; T55-E59 WeakPolarHBondContact O-CG 3.26Å; T55-E59 PolarHBondContact O-N 3.46Å
56A65.7Low68.2Low3 Ų375.9 Ų75.93%0.02539%0.388CS..Hα-helixtrans-60.6-39.2176.900000112V52 P53 E59 I60 I164V52-A56 HydrophobicContact CG1-CB 4.06Å; P53-A56 HydrophobicContact CB-CB 4.36Å; P53-A56 WeakPolarHBondContact O-CB 3.42Å; P53-A56 PolarHBondContact O-N 2.96Å; A56-E59 PolarHBondContact O-N 3.43Å; A56-I60 VanDerWaalsContact O-CB 3.27Å; A56-I60 WeakPolarHBondContact O-CB 3.46Å; A56-I60 WeakPolarHBondContact O-CD1 3.45Å; A56-I60 WeakPolarHBondContact O-CG1 3.28Å; A56-I60 PolarHBondContact O-N 3.34Å; A56-I164 HydrophobicContact CB-CD1 4.04Å; A56-I164 HydrophobicContact CB-CG1 4.05Å
57I69.6Low69.3Low54 Ų5475.9 Ų75.928%0.27739%0.388SS..Hα-helixtrans-63.1-46.4174.7-56.5168.8000110.7V52 P53 S54 T55 E59 I60 S61 M79V52-I57 HydrophobicContact CB-CG1 4.27Å; V52-I57 HydrophobicContact CG1-CD1 4.46Å; V52-I57 HydrophobicContact CG1-CG1 3.71Å; P53-I57 PolarHBondContact O-N 3.21Å; S54-I57 PolarHBondContact O-N 2.83Å; T55-I57 VanDerWaalsContact C-N 3.31Å; T55-I57 PolarHBondContact O-N 2.77Å; I57-E59 VanDerWaalsContact C-N 3.3Å; I57-E59 PolarHBondContact O-N 2.81Å; I57-I60 PolarHBondContact O-N 2.7Å; I57-S61 VanDerWaalsContact O-CB 3.31Å; I57-S61 WeakPolarHBondContact O-CB 3Å; I57-S61 PolarHBondContact O-N 2.87Å; I57-S61 PolarHBondContact O-OG 3.35Å; I57-M79 HydrophobicContact CD1-CE 3.34Å; I57-M79 HydrophobicContact CG1-CE 3.72Å
58R64.6Low70.6Confident194 Ų19472.1 Ų72.173%0.73237%0.368SS*.Hα-helixtrans-60-43.7179.4-174.7175.6-176.61591.5110.8S54 T55 S61 L62S54-R58 PolarHBondContact O-N 2.99Å; T55-R58 WeakPolarHBondContact O-CB 3.38Å; T55-R58 PolarHBondContact O-N 3.11Å; T55-R58 VanDerWaalsContact O-N 3.11Å; R58-S61 WeakPolarHBondContact O-CB 3.49Å; R58-S61 PolarHBondContact O-N 3.44Å; R58-L62 WeakPolarHBondContact O-CG 3.49Å; R58-L62 PolarHBondContact O-N 2.93Å
59E63.6Low72.1Confident35 Ų3569.5 Ų69.516%0.16436%0.357CS..Hα-helixtrans-74-36.5-175.9-66.7175.7-59.900111.9T55 A56 I57 S61 L62 L63 A161 F162T55-E59 WeakPolarHBondContact O-CB 3.37Å; T55-E59 VanDerWaalsContact O-CG 3.26Å; T55-E59 WeakPolarHBondContact O-CG 3.26Å; T55-E59 PolarHBondContact O-N 3.46Å; A56-E59 PolarHBondContact O-N 3.43Å; I57-E59 VanDerWaalsContact C-N 3.3Å; I57-E59 PolarHBondContact O-N 2.81Å; E59-S61 VanDerWaalsContact C-N 3.28Å; E59-S61 PolarHBondContact O-N 3.15Å; E59-L62 WeakPolarHBondContact O-CB 3.39Å; E59-L62 PolarHBondContact O-N 3.17Å; E59-L63 PolarHBondContact O-N 2.85Å; E59-A161 HydrophobicContact CB-CB 3.62Å; E59-A161 VanDerWaalsContact CD-C 3.46Å; E59-A161 HydrophobicContact CG-CB 4.23Å; E59-A161 WeakPolarHBondContact OE1-CA 3.36Å; E59-A161 WeakPolarHBondContact OE1-CB 3.46Å; E59-A161 VanDerWaalsContact OE2-C 3.26Å; E59-A161 WeakPolarHBondContact OE2-CA 3.21Å; E59-F162 PolarHBondContact OE1-N 3.39Å; E59-F162 PolarHBondContact OE2-N 3.42Å
60I71.9Confident73.7Confident13 Ų1360.1 Ų60.17%0.06731%0.313CS..Hα-helixtrans-67.3-32.4169.5-71.5169.4000111.2A56 I57 L62 L63 L74 V77 L84 L86A56-I60 VanDerWaalsContact O-CB 3.27Å; A56-I60 WeakPolarHBondContact O-CB 3.46Å; A56-I60 WeakPolarHBondContact O-CD1 3.45Å; A56-I60 WeakPolarHBondContact O-CG1 3.28Å; A56-I60 PolarHBondContact O-N 3.34Å; I57-I60 PolarHBondContact O-N 2.7Å; I60-L62 VanDerWaalsContact C-N 3.29Å; I60-L62 PolarHBondContact O-N 3.44Å; I60-L63 WeakPolarHBondContact O-CB 3.26Å; I60-L63 PolarHBondContact O-N 3.05Å; I60-L63 VanDerWaalsContact O-N 3.11Å; I60-L74 HydrophobicContact CG2-CD2 4.37Å; I60-V77 HydrophobicContact CG2-CG1 4.28Å; I60-V77 HydrophobicContact CG2-CG2 3.75Å; I60-L84 HydrophobicContact CD1-CD2 3.24Å; I60-L86 HydrophobicContact CD1-CD2 4.46Å; I60-L86 HydrophobicContact CG2-CD1 4.42Å; I60-L86 HydrophobicContact CG2-CD2 3.39Å
61S67.5Low75Confident51 Ų5152.5 Ų52.536%0.35728%0.277SS..Hα-helixtrans-66.5-32.8174.1-59.40000111.5I57 R58 E59 L63 K64I57-S61 VanDerWaalsContact O-CB 3.31Å; I57-S61 WeakPolarHBondContact O-CB 3Å; I57-S61 PolarHBondContact O-N 2.87Å; I57-S61 PolarHBondContact O-OG 3.35Å; R58-S61 WeakPolarHBondContact O-CB 3.49Å; R58-S61 PolarHBondContact O-N 3.44Å; E59-S61 VanDerWaalsContact C-N 3.28Å; E59-S61 PolarHBondContact O-N 3.15Å; S61-L63 VanDerWaalsContact C-N 3.26Å; S61-L63 PolarHBondContact O-N 3.2Å; S61-K64 VanDerWaalsContact O-CB 3.26Å; S61-K64 WeakPolarHBondContact O-CB 3.27Å; S61-K64 PolarHBondContact O-N 3.39Å
62L67Low76.3Confident89 Ų8952.2 Ų52.247%0.46627%0.272SS..Hα-helixtrans-64.1-30.5171.3-63.5173.4000112R58 E59 I60 K64 E65R58-L62 WeakPolarHBondContact O-CG 3.49Å; R58-L62 PolarHBondContact O-N 2.93Å; E59-L62 WeakPolarHBondContact O-CB 3.39Å; E59-L62 PolarHBondContact O-N 3.17Å; I60-L62 VanDerWaalsContact C-N 3.29Å; I60-L62 PolarHBondContact O-N 3.44Å; L62-K64 PolarHBondContact O-N 3.34Å; L62-E65 VanDerWaalsContact O-CB 3.31Å; L62-E65 WeakPolarHBondContact O-CB 3.42Å; L62-E65 PolarHBondContact O-N 2.9Å
63L71Confident77.4Confident29 Ų2953.1 Ų53.115%0.15228%0.276CS..Hα-helixtrans-64.2-22.5173-61.7175.1000112.5E59 I60 S61 E65 L66 L74 F156E59-L63 PolarHBondContact O-N 2.85Å; I60-L63 WeakPolarHBondContact O-CB 3.26Å; I60-L63 PolarHBondContact O-N 3.05Å; I60-L63 VanDerWaalsContact O-N 3.11Å; S61-L63 VanDerWaalsContact C-N 3.26Å; S61-L63 PolarHBondContact O-N 3.2Å; L63-E65 PolarHBondContact O-N 3.41Å; L63-L66 HydrophobicContact CD2-CD1 3.67Å; L63-L66 WeakPolarHBondContact O-CB 3.37Å; L63-L66 PolarHBondContact O-N 3.31Å; L63-L66 VanDerWaalsContact O-N 3.13Å; L63-L74 HydrophobicContact CB-CD2 3.95Å; L63-F156 HydrophobicContact CD2-CB 3.84Å
64K80.5Confident78.5Confident78 Ų7850.7 Ų50.734%0.33926%0.26SS..THydrogen-bonded Turntrans-68.6-18.4172.6-61.7-172.772.8-1780112.9S61 L62 L66 Q67 L74 V77S61-K64 VanDerWaalsContact O-CB 3.26Å; S61-K64 WeakPolarHBondContact O-CB 3.27Å; S61-K64 PolarHBondContact O-N 3.39Å; L62-K64 PolarHBondContact O-N 3.34Å; K64-L66 VanDerWaalsContact C-N 3.28Å; K64-Q67 WeakPolarHBondContact O-CG 3.4Å; K64-Q67 PolarHBondContact O-NE2 2.98Å; K64-Q67 VanDerWaalsContact O-NE2 3.15Å; K64-L74 HydrophobicContact CG-CD2 3.7Å; K64-L74 HydrophobicContact CG-CG 4.02Å; K64-V77 HydrophobicContact CD-CG2 4.21Å; K64-V77 HydrophobicContact CG-CG2 4.42Å
65E79.6Confident79.5Confident123 Ų12350.1 Ų50.158%0.57525%0.247SC*.THydrogen-bonded Turntrans-81-11.2174.5-56.4-177.8176.300112L62 L63 Q67L62-E65 VanDerWaalsContact O-CB 3.31Å; L62-E65 WeakPolarHBondContact O-CB 3.42Å; L62-E65 PolarHBondContact O-N 2.9Å; L63-E65 PolarHBondContact O-N 3.41Å; E65-Q67 PolarHBondContact O-N 3Å
66L84.4Confident80.8Confident6 Ų647.9 Ų47.93%0.03123%0.232CC..  trans-78.158175.1-61.4-179.5000112.3L63 K64 H68 I71 F126 V132 F156L63-L66 HydrophobicContact CD2-CD1 3.67Å; L63-L66 WeakPolarHBondContact O-CB 3.37Å; L63-L66 PolarHBondContact O-N 3.31Å; L63-L66 VanDerWaalsContact O-N 3.13Å; K64-L66 VanDerWaalsContact C-N 3.28Å; L66-H68 PolarHBondContact O-N 3.46Å; L66-I71 HydrophobicContact CB-CD1 4.3Å; L66-I71 HydrophobicContact CB-CG2 4.16Å; L66-I71 WeakPolarHBondContact O-CG2 3.42Å; L66-F126 HydrophobicContact CD2-CD1 4.29Å; L66-F126 HydrophobicContact CD2-CE1 4.15Å; L66-V132 HydrophobicContact CD1-CG1 4.02Å; L66-V132 HydrophobicContact CD1-CG2 4.43Å; L66-V132 HydrophobicContact CD2-CG2 4.16Å; L66-F156 HydrophobicContact CD1-CD1 4.1Å; L66-F156 HydrophobicContact CD1-CE1 4.35Å; L66-F156 HydrophobicContact CD1-CG 4.26Å
67Q88.8Confident81.8Confident109 Ų10949.4 Ų49.451%0.50924%0.241SC..  trans-9197.7177.2-68179.926.700110.3K64 E65 F126K64-Q67 WeakPolarHBondContact O-CG 3.4Å; K64-Q67 PolarHBondContact O-NE2 2.98Å; K64-Q67 VanDerWaalsContact O-NE2 3.15Å; E65-Q67 PolarHBondContact O-N 3Å; Q67-F126 WeakPolarHBondContact O-CZ 3.14Å
68H91.1Very high82.7Confident13 Ų1347.4 Ų47.46%0.0623%0.231CC..  trans-144.4143.8178.8-178.6-98.3000110.3L66 N70 I71 F126 A310 E313L66-H68 PolarHBondContact O-N 3.46Å; H68-N70 PolarHBondContact CE1-N 3.35Å; H68-N70 PolarHBondContact CE1-OD1 3.4Å; H68-N70 VanDerWaalsContact CE1-OD1 3.28Å; H68-N70 PolarHBondContact ND1-N 2.87Å; H68-N70 PolarHBondContact O-N 2.88Å; H68-N70 VanDerWaalsContact O-N 3.13Å; H68-I71 HydrophobicContact CB-CB 4.03Å; H68-I71 HydrophobicContact CB-CD1 3.7Å; H68-I71 HydrophobicContact CB-CG1 3.85Å; H68-I71 PolarHBondContact O-N 2.84Å; H68-F126 HydrophobicContact CB-CB 4.42Å; H68-F126 HydrophobicContact CB-CD1 3.89Å; H68-F126 HydrophobicContact CB-CD2 3.93Å; H68-F126 HydrophobicContact CB-CE1 4.04Å; H68-F126 HydrophobicContact CB-CE2 4.04Å; H68-F126 HydrophobicContact CB-CG 3.82Å; H68-F126 HydrophobicContact CB-CZ 4.08Å; H68-F126 AromaticContact CD2-CD2 3.5Å; H68-F126 VanDerWaalsContact CD2-CD2 3.5Å; H68-F126 WeakPolarHBondContact CD2-CD2 3.2Å; H68-F126 AromaticContact CD2-CG 3.89Å; H68-F126 AromaticContact CG-CD2 3.9Å; H68-F126 AromaticContact CG-CG 3.89Å; H68-A310 WeakPolarHBondContact NE2-CB 3.26Å; H68-E313 IonicContact CD2-OE1 3.06Å; H68-E313 PolarHBondContact CD2-OE1 3.36Å; H68-E313 IonicContact CD2-OE2 3.7Å; H68-E313 IonicContact CE1-OE2 3.45Å; H68-E313 IonicContact NE2-OE1 2.61Å; H68-E313 PolarHBondContact NE2-OE1 2.95Å; H68-E313 IonicContact NE2-OE2 2.91Å; H68-E313 PolarHBondContact NE2-OE2 2.85Å
69P92.8Very high83.7Confident54 Ų5442.9 Ų42.935%0.35122%0.219SC..THydrogen-bonded Turntrans-56.2-30.2-179.9-29.637.3000115.1K152 P309 A310P69-K152 WeakPolarHBondContact O-CE 3.43Å; P69-K152 WeakPolarHBondContact O-CG 3.5Å; P69-P309 HydrophobicContact CB-CB 3.43Å; P69-P309 VanDerWaalsContact CB-CB 3.43Å; P69-P309 HydrophobicContact CB-CG 4.4Å; P69-P309 HydrophobicContact CG-CB 4.18Å; P69-A310 HydrophobicContact CG-CB 4.3Å
70N95.5Very high84.7Confident0 Ų044.7 Ų44.70%023%0.227CC..THydrogen-bonded Turntrans-101.221.9177.3-52.7109.2000113.6H68 Q119 V151 K152 L153H68-N70 PolarHBondContact CE1-N 3.35Å; H68-N70 PolarHBondContact CE1-OD1 3.4Å; H68-N70 VanDerWaalsContact CE1-OD1 3.28Å; H68-N70 PolarHBondContact ND1-N 2.87Å; H68-N70 PolarHBondContact O-N 2.88Å; H68-N70 VanDerWaalsContact O-N 3.13Å; N70-Q119 WeakPolarHBondContact CB-O 3.27Å; N70-Q119 VanDerWaalsContact CG-O 3.29Å; N70-Q119 WeakPolarHBondContact ND2-CB 3.23Å; N70-Q119 PolarHBondContact ND2-OE1 3.38Å; N70-V151 WeakPolarHBondContact CA-O 3.35Å; N70-V151 WeakPolarHBondContact CB-O 3.19Å; N70-V151 PolarHBondContact ND2-O 2.88Å; N70-K152 WeakPolarHBondContact O-CA 3.36Å; N70-L153 PolarHBondContact O-N 2.79Å
71I93.5Very high85.2Confident1 Ų150.9 Ų50.91%0.00526%0.261CS..BIsolated β-bridgetrans-124.6137.2170.1-64.9176.5000107.7L66 H68 N73 F126 C127 F156L66-I71 HydrophobicContact CB-CD1 4.3Å; L66-I71 HydrophobicContact CB-CG2 4.16Å; L66-I71 WeakPolarHBondContact O-CG2 3.42Å; H68-I71 HydrophobicContact CB-CB 4.03Å; H68-I71 HydrophobicContact CB-CD1 3.7Å; H68-I71 HydrophobicContact CB-CG1 3.85Å; H68-I71 PolarHBondContact O-N 2.84Å; I71-N73 PolarHBondContact O-N 3.4Å; I71-F126 HydrophobicContact CD1-CB 4.4Å; I71-F126 HydrophobicContact CD1-CD1 3.63Å; I71-F126 HydrophobicContact CD1-CE1 4.3Å; I71-F126 HydrophobicContact CD1-CG 4.32Å; I71-C127 WeakPolarHBondContact CD1-SG 3.27Å; I71-F156 HydrophobicContact CD1-CZ 4.31Å; I71-F156 HydrophobicContact CG1-CZ 4.12Å; I71-F156 HydrophobicContact CG2-CD2 4.42Å; I71-F156 HydrophobicContact CG2-CE2 3.58Å; I71-F156 HydrophobicContact CG2-CZ 3.96Å
72V92.5Very high85.8Confident11 Ų1150.1 Ų50.17%0.06726%0.261CS..  trans-65.1122.2174.3174.50000109.3L74 F88 E89 L91 L143 K152 L153 A154V72-L74 PolarHBondContact O-N 3.21Å; V72-F88 HydrophobicContact CG1-CB 3.87Å; V72-F88 HydrophobicContact CG1-CD1 3.85Å; V72-F88 HydrophobicContact CG1-CG 4.19Å; V72-E89 HydrophobicContact CG1-CG 3.91Å; V72-L91 HydrophobicContact CG2-CD1 4.47Å; V72-L143 HydrophobicContact CG2-CB 4.44Å; V72-L143 HydrophobicContact CG2-CD1 3.67Å; V72-L143 HydrophobicContact CG2-CG 4.16Å; V72-K152 HydrophobicContact CG2-CB 3.7Å; V72-K152 HydrophobicContact CG2-CD 4.4Å; V72-L153 WeakPolarHBondContact CG2-O 3.5Å; V72-L153 PolarHBondContact N-O 2.99Å; V72-A154 HydrophobicContact CB-CB 4.25Å; V72-A154 HydrophobicContact CG2-CB 3.59Å
73N90.5Very high86.5Confident38 Ų3850.3 Ų50.320%0.20326%0.255CS..  trans-72.1121-176.4-174.243.4000111.4I71 E75 F88 E89I71-N73 PolarHBondContact O-N 3.4Å; N73-E75 PolarHBondContact O-N 3.15Å; N73-F88 VanDerWaalsContact O-CA 3.32Å; N73-F88 WeakPolarHBondContact O-CA 3.15Å; N73-E89 HydrophobicContact CB-CG 4.18Å; N73-E89 WeakPolarHBondContact CB-OE1 3.3Å; N73-E89 PolarHBondContact N-OE1 3.13Å; N73-E89 PolarHBondContact O-N 3.21Å; N73-E89 VanDerWaalsContact O-N 3.11Å
74L89.6Confident87.2Confident7 Ų749 Ų494%0.03725%0.248CC..EExtended strand (participates in β ladder)trans-78.197.2165.517858.4000108.8I60 L63 K64 V72 Q76 V77 L86 F88I60-L74 HydrophobicContact CG2-CD2 4.37Å; L63-L74 HydrophobicContact CB-CD2 3.95Å; K64-L74 HydrophobicContact CG-CD2 3.7Å; K64-L74 HydrophobicContact CG-CG 4.02Å; V72-L74 PolarHBondContact O-N 3.21Å; L74-Q76 WeakPolarHBondContact CD1-O 3.41Å; L74-V77 HydrophobicContact CD1-CG2 4.44Å; L74-V77 HydrophobicContact CD2-CG2 4.02Å; L74-V77 HydrophobicContact CG-CG2 4.43Å; L74-L86 HydrophobicContact CD1-CB 3.82Å; L74-F88 HydrophobicContact CB-CD1 4.02Å; L74-F88 HydrophobicContact CB-CE1 3.78Å; L74-F88 HydrophobicContact CD1-CD1 4.09Å; L74-F88 HydrophobicContact CD1-CE1 3.78Å; L74-F88 HydrophobicContact CD1-CE2 4.3Å; L74-F88 HydrophobicContact CD1-CG 4.48Å; L74-F88 HydrophobicContact CD1-CZ 3.9Å; L74-F88 HydrophobicContact CG-CE1 4.28Å
75E89.2Confident87.6Confident83 Ų8345.7 Ų45.739%0.38823%0.234SC..EExtended strand (participates in β ladder)trans-69.1-44.5-177.4-60.3-170.5156.900111.5N73 V87N73-E75 PolarHBondContact O-N 3.15Å; E75-V87 HydrophobicContact CB-CG1 4.49Å; E75-V87 PolarHBondContact N-O 3.33Å
76Q87.6Confident88.1Confident15 Ų1540.1 Ų40.17%0.0721%0.208CC..EExtended strand (participates in β ladder)trans-153.5151-173.6-165.8-179.7-10.400112.4Y7 L74 I78 V87Y7-Q76 PolarHBondContact O-NE2 2.86Å; Y7-Q76 PolarHBondContact O-OE1 2.8Å; L74-Q76 WeakPolarHBondContact CD1-O 3.41Å; Q76-I78 HydrophobicContact CG-CG1 4.03Å; Q76-V87 HydrophobicContact CB-CB 4.05Å; Q76-V87 HydrophobicContact CB-CG2 4.19Å; Q76-V87 PolarHBondContact N-O 3.46Å; Q76-V87 PolarHBondContact O-N 3.36Å
77V87.5Confident88.4Confident35 Ų3539.9 Ų39.921%0.21221%0.207CC..EExtended strand (participates in β ladder)trans-112.4126167.4-178.50000107.1I60 K64 L74 L84 L86I60-V77 HydrophobicContact CG2-CG1 4.28Å; I60-V77 HydrophobicContact CG2-CG2 3.75Å; K64-V77 HydrophobicContact CD-CG2 4.21Å; K64-V77 HydrophobicContact CG-CG2 4.42Å; L74-V77 HydrophobicContact CD1-CG2 4.44Å; L74-V77 HydrophobicContact CD2-CG2 4.02Å; L74-V77 HydrophobicContact CG-CG2 4.43Å; V77-L84 HydrophobicContact CG1-CD1 3.5Å; V77-L84 HydrophobicContact CG1-CG 4.46Å; V77-L86 HydrophobicContact CG1-CD2 4.07Å; V77-L86 HydrophobicContact CG2-CD2 4.06Å
78I88.5Confident88.6Confident12 Ų1236.6 Ų36.66%0.06219%0.191CC..EExtended strand (participates in β ladder)trans-118.6131.5-179.5-59.3171.5000108.1L9 F12 Q76 Y85 V87L9-I78 HydrophobicContact CB-CG2 4.16Å; F12-I78 HydrophobicContact CD2-CD1 4.24Å; F12-I78 HydrophobicContact CE2-CD1 3.72Å; Q76-I78 HydrophobicContact CG-CG1 4.03Å; I78-Y85 PolarHBondContact N-O 2.85Å; I78-Y85 PolarHBondContact O-N 3.44Å; I78-V87 HydrophobicContact CD1-CG2 3.61Å; I78-V87 HydrophobicContact CG1-CG2 4.18Å
79M84.7Confident88.6Confident98 Ų9837.9 Ų37.948%0.48320%0.197SC..EExtended strand (participates in β ladder)trans-116.4122.2171.4-169.1172.9-57.700108.9V52 I57 R83 L84V52-M79 HydrophobicContact CB-CE 4.15Å; V52-M79 HydrophobicContact CG2-CE 4.17Å; I57-M79 HydrophobicContact CD1-CE 3.34Å; I57-M79 HydrophobicContact CG1-CE 3.72Å; M79-R83 WeakPolarHBondContact CA-O 3.41Å; M79-L84 HydrophobicContact CE-CD1 4.14Å
80E84.9Confident88.7Confident73 Ų7337.9 Ų37.934%0.34119%0.19SC..EExtended strand (participates in β ladder)trans-147.7131.8179.3-166.8-178.5-140.600109.5L9 G82 R83L9-E80 WeakPolarHBondContact CB-OE2 3.45Å; L9-E80 WeakPolarHBondContact CD2-OE2 3.48Å; E80-G82 VanDerWaalsContact C-N 3.33Å; E80-G82 PolarHBondContact O-N 3.2Å; E80-R83 PolarHBondContact N-O 3.27Å; E80-R83 WeakPolarHBondContact O-CB 3.4Å; E80-R83 PolarHBondContact O-N 3.15Å
81N83.6Confident88.5Confident143 Ų14338.9 Ų38.977%0.76520%0.195SC*.THydrogen-bonded Turntrans51.247.5178.6-56.7-36.6000113.3R83N81-R83 PolarHBondContact O-N 3.22Å; N81-R83 VanDerWaalsContact O-N 3.14Å
82G78.8Confident88.2Confident35 Ų3543.8 Ų43.836%0.36122%0.222SC..THydrogen-bonded Turntrans71.31.6-179.600000115.2L45 E80L45-G82 WeakPolarHBondContact CD1-O 3.38Å; E80-G82 VanDerWaalsContact C-N 3.33Å; E80-G82 PolarHBondContact O-N 3.2Å
83R83.1Confident88.2Confident94 Ų9444 Ų4436%0.35522%0.222SC..EExtended strand (participates in β ladder)trans-108.4143.6-175.5-67.6166171.4176.25.8111.6M79 E80 N81 Y85M79-R83 WeakPolarHBondContact CA-O 3.41Å; E80-R83 PolarHBondContact N-O 3.27Å; E80-R83 WeakPolarHBondContact O-CB 3.4Å; E80-R83 PolarHBondContact O-N 3.15Å; N81-R83 PolarHBondContact O-N 3.22Å; N81-R83 VanDerWaalsContact O-N 3.14Å; R83-Y85 HydrophobicContact CB-CD2 4.42Å; R83-Y85 HydrophobicContact CB-CE2 3.58Å
84L85Confident88.3Confident1 Ų143.5 Ų43.51%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-100.5132.7176.9-16763.8000111.9I43 V52 I60 V77 M79 L86I43-L84 HydrophobicContact CB-CB 4.17Å; I43-L84 HydrophobicContact CG1-CB 4.29Å; I43-L84 HydrophobicContact CG1-CD2 4.16Å; I43-L84 HydrophobicContact CG1-CG 4.29Å; I43-L84 PolarHBondContact N-O 2.88Å; V52-L84 HydrophobicContact CG1-CD2 4Å; V52-L84 HydrophobicContact CG2-CB 3.74Å; I60-L84 HydrophobicContact CD1-CD2 3.24Å; V77-L84 HydrophobicContact CG1-CD1 3.5Å; V77-L84 HydrophobicContact CG1-CG 4.46Å; M79-L84 HydrophobicContact CE-CD1 4.14Å; L84-L86 HydrophobicContact CD2-CD2 4.4Å; L84-L86 HydrophobicContact CG-CD2 4.26Å
85Y88.6Confident88.6Confident9 Ų943.1 Ų43.14%0.03522%0.218CC..EExtended strand (participates in β ladder)trans-127.8131.1176.7-59.4-92.5000110L9 L40 K41 K42 I78 R83L9-Y85 HydrophobicContact CD1-CD1 4.12Å; L9-Y85 HydrophobicContact CD1-CD2 4.47Å; L9-Y85 HydrophobicContact CD1-CE1 4.39Å; L9-Y85 HydrophobicContact CD1-CG 4.16Å; L9-Y85 HydrophobicContact CD2-CD1 4.5Å; L9-Y85 HydrophobicContact CD2-CD2 4.14Å; L9-Y85 HydrophobicContact CD2-CE1 4.09Å; L9-Y85 HydrophobicContact CD2-CE2 3.71Å; L40-Y85 HydrophobicContact CD1-CD1 4.34Å; L40-Y85 HydrophobicContact CD2-CD1 3.88Å; L40-Y85 HydrophobicContact CD2-CE1 4.42Å; L40-Y85 HydrophobicContact CG-CD1 4.08Å; K41-Y85 WeakPolarHBondContact O-CA 3.32Å; K42-Y85 HydrophobicContact CB-CD1 3.83Å; K42-Y85 HydrophobicContact CB-CE1 3.7Å; K42-Y85 HydrophobicContact CD-CE1 3.97Å; K42-Y85 HydrophobicContact CG-CD1 4.06Å; K42-Y85 HydrophobicContact CG-CE1 3.57Å; I78-Y85 PolarHBondContact N-O 2.85Å; I78-Y85 PolarHBondContact O-N 3.44Å; R83-Y85 HydrophobicContact CB-CD2 4.42Å; R83-Y85 HydrophobicContact CB-CE2 3.58Å
86L89.1Confident88.8Confident6 Ų641.4 Ų41.43%0.03121%0.209CC..EExtended strand (participates in β ladder)trans-106.5124.5174.4-49.7-175000108.4L40 K41 I43 I60 L74 V77 L84 F88L40-L86 CarbonylContact C-O 3.55Å; L40-L86 WeakPolarHBondContact CA-O 3.44Å; K41-L86 HydrophobicContact CB-CB 4.3Å; K41-L86 PolarHBondContact N-O 3.45Å; K41-L86 PolarHBondContact O-N 2.87Å; I43-L86 HydrophobicContact CD1-CD1 3.9Å; I43-L86 HydrophobicContact CD1-CG 4.21Å; I43-L86 HydrophobicContact CG1-CD1 4.34Å; I43-L86 HydrophobicContact CG1-CG 4.19Å; I60-L86 HydrophobicContact CD1-CD2 4.46Å; I60-L86 HydrophobicContact CG2-CD1 4.42Å; I60-L86 HydrophobicContact CG2-CD2 3.39Å; L74-L86 HydrophobicContact CD1-CB 3.82Å; V77-L86 HydrophobicContact CG1-CD2 4.07Å; V77-L86 HydrophobicContact CG2-CD2 4.06Å; L84-L86 HydrophobicContact CD2-CD2 4.4Å; L84-L86 HydrophobicContact CG-CD2 4.26Å; L86-F88 HydrophobicContact CB-CD2 4.11Å; L86-F88 HydrophobicContact CB-CE2 3.4Å; L86-F88 HydrophobicContact CB-CZ 3.92Å; L86-F88 HydrophobicContact CD1-CE2 4.02Å; L86-F88 HydrophobicContact CD1-CZ 3.93Å; L86-F88 HydrophobicContact CG-CE2 4.36Å
87V91.9Very high89Confident1 Ų147.3 Ų47.31%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-100.9111.9177.7-174.20000108F12 A38 L40 E75 Q76 I78F12-V87 HydrophobicContact CE1-CG1 3.79Å; F12-V87 HydrophobicContact CE2-CG2 4.17Å; F12-V87 HydrophobicContact CZ-CG1 3.74Å; F12-V87 HydrophobicContact CZ-CG2 4.01Å; A38-V87 HydrophobicContact CB-CG1 3.88Å; L40-V87 HydrophobicContact CD1-CG2 3.72Å; E75-V87 HydrophobicContact CB-CG1 4.49Å; E75-V87 PolarHBondContact N-O 3.33Å; Q76-V87 HydrophobicContact CB-CB 4.05Å; Q76-V87 HydrophobicContact CB-CG2 4.19Å; Q76-V87 PolarHBondContact N-O 3.46Å; Q76-V87 PolarHBondContact O-N 3.36Å; I78-V87 HydrophobicContact CD1-CG2 3.61Å; I78-V87 HydrophobicContact CG1-CG2 4.18Å
88F92.4Very high89.3Confident39 Ų3947 Ų4717%0.17123%0.226CC..EExtended strand (participates in β ladder)trans-106.4157.4175.3-62.6-86.4000110.9A38 A39 K41 V72 N73 L74 L86A38-F88 WeakPolarHBondContact CA-O 2.91Å; A39-F88 HydrophobicContact CB-CB 4.25Å; A39-F88 PolarHBondContact N-O 2.95Å; A39-F88 PolarHBondContact O-N 3.23Å; K41-F88 HydrophobicContact CB-CD2 4.48Å; K41-F88 HydrophobicContact CB-CE2 4.1Å; V72-F88 HydrophobicContact CG1-CB 3.87Å; V72-F88 HydrophobicContact CG1-CD1 3.85Å; V72-F88 HydrophobicContact CG1-CG 4.19Å; N73-F88 VanDerWaalsContact O-CA 3.32Å; N73-F88 WeakPolarHBondContact O-CA 3.15Å; L74-F88 HydrophobicContact CB-CD1 4.02Å; L74-F88 HydrophobicContact CB-CE1 3.78Å; L74-F88 HydrophobicContact CD1-CD1 4.09Å; L74-F88 HydrophobicContact CD1-CE1 3.78Å; L74-F88 HydrophobicContact CD1-CE2 4.3Å; L74-F88 HydrophobicContact CD1-CG 4.48Å; L74-F88 HydrophobicContact CD1-CZ 3.9Å; L74-F88 HydrophobicContact CG-CE1 4.28Å; L86-F88 HydrophobicContact CB-CD2 4.11Å; L86-F88 HydrophobicContact CB-CE2 3.4Å; L86-F88 HydrophobicContact CB-CZ 3.92Å; L86-F88 HydrophobicContact CD1-CE2 4.02Å; L86-F88 HydrophobicContact CD1-CZ 3.93Å; L86-F88 HydrophobicContact CG-CE2 4.36Å
89E92.4Very high89.5Confident41 Ų4146.6 Ų46.619%0.19222%0.224CC..EExtended strand (participates in β ladder)trans-54.9143.4161.167179.1126.800110V72 N73 L91 K152V72-E89 HydrophobicContact CG1-CG 3.91Å; N73-E89 HydrophobicContact CB-CG 4.18Å; N73-E89 WeakPolarHBondContact CB-OE1 3.3Å; N73-E89 PolarHBondContact N-OE1 3.13Å; N73-E89 PolarHBondContact O-N 3.21Å; N73-E89 VanDerWaalsContact O-N 3.11Å; E89-L91 HydrophobicContact CG-CD1 3.85Å; E89-K152 IonicContact OE1-NZ 2.77Å; E89-K152 PolarHBondContact OE1-NZ 2.83Å; E89-K152 IonicContact OE2-NZ 3.15Å; E89-K152 PolarHBondContact OE2-NZ 2.88Å
90Y93.1Very high89.7Confident54 Ų5446 Ų4621%0.21222%0.223CC..  trans-95.9126.3178.8177.6-104.2000111.4I18 K28 F37 A39 N92I18-Y90 HydrophobicContact CD1-CD2 4.22Å; I18-Y90 HydrophobicContact CD1-CE2 3.87Å; K28-Y90 HydrophobicContact CB-CD2 4.48Å; K28-Y90 HydrophobicContact CB-CE2 4.08Å; K28-Y90 HydrophobicContact CD-CE1 4.15Å; K28-Y90 HydrophobicContact CD-CE2 3.95Å; K28-Y90 HydrophobicContact CG-CD2 4.09Å; K28-Y90 HydrophobicContact CG-CE1 4.39Å; K28-Y90 HydrophobicContact CG-CE2 3.79Å; K28-Y90 PolarHBondContact NZ-OH 3.33Å; F37-Y90 HydrophobicContact CB-CD1 3.76Å; F37-Y90 HydrophobicContact CB-CG 4.07Å; F37-Y90 HydrophobicContact CG-CD1 4.43Å; A39-Y90 HydrophobicContact CB-CD2 4.34Å; Y90-N92 HydrophobicContact CE1-CB 3.89Å
91L92.8Very high89.8Confident20 Ų2048.6 Ų48.611%0.10524%0.239CC..  trans-115.2140.3163.7-69.485.5000107.9V72 E89 L143 D145 K152V72-L91 HydrophobicContact CG2-CD1 4.47Å; E89-L91 HydrophobicContact CG-CD1 3.85Å; L91-L143 HydrophobicContact CB-CB 3.82Å; L91-L143 HydrophobicContact CB-CD1 3.96Å; L91-L143 HydrophobicContact CB-CG 4.46Å; L91-L143 HydrophobicContact CD1-CB 4.43Å; L91-L143 HydrophobicContact CD1-CD1 4.14Å; L91-L143 HydrophobicContact CD2-CB 3.81Å; L91-L143 HydrophobicContact CG-CB 4.23Å; L91-D145 HydrophobicContact CD2-CB 4.26Å; L91-K152 HydrophobicContact CD1-CD 4.21Å; L91-K152 HydrophobicContact CD2-CD 4.25Å; L91-K152 HydrophobicContact CD2-CG 4.35Å
92N86Confident89.6Confident104 Ų10443.8 Ų43.856%0.55622%0.217SC*.SBendtrans-86.1-13.9-170.863.7-50.5000114.1Y90Y90-N92 HydrophobicContact CE1-CB 3.89Å
93L92.2Very high89.1Confident15 Ų1543.7 Ų43.78%0.07922%0.216CC..EExtended strand (participates in β ladder)trans-133.9137.5-173.2-164.466.8000111R97 Y98 L143 V144 I146L93-R97 HydrophobicContact CD1-CB 3.43Å; L93-R97 VanDerWaalsContact CD1-CB 3.43Å; L93-R97 HydrophobicContact CD1-CG 4.49Å; L93-R97 HydrophobicContact CG-CB 4.33Å; L93-Y98 HydrophobicContact CD2-CD2 3.75Å; L93-Y98 HydrophobicContact CD2-CG 4.23Å; L93-L143 CarbonylContact O-C 3.56Å; L93-L143 WeakPolarHBondContact O-CA 3.36Å; L93-V144 PolarHBondContact O-N 2.98Å; L93-I146 HydrophobicContact CD2-CD1 3.26Å; L93-I146 HydrophobicContact CD2-CG1 3.71Å
94D94Very high88.3Confident28 Ų2850.7 Ų50.715%0.1524%0.242CC..EExtended strand (participates in β ladder)trans-99.5159.9166.763.668.1000110.4K96 R97 Y98 I142 L143D94-K96 PolarHBondContact O-N 3.23Å; D94-K96 WeakPolarHBondContact OD1-CA 3.09Å; D94-K96 VanDerWaalsContact OD1-CB 3.27Å; D94-K96 WeakPolarHBondContact OD1-CB 3.26Å; D94-K96 PolarHBondContact OD1-N 3.26Å; D94-R97 PolarHBondContact O-N 3Å; D94-R97 PolarHBondContact OD1-N 3.04Å; D94-R97 WeakPolarHBondContact OD2-CD 3.45Å; D94-R97 WeakPolarHBondContact OD2-CG 3.48Å; D94-R97 IonicContact OD2-NE 3.25Å; D94-R97 PolarHBondContact OD2-NE 3.24Å; D94-Y98 PolarHBondContact O-N 2.82Å; D94-I142 CarbonylContact C-O 3.58Å; D94-I142 WeakPolarHBondContact CA-O 3.17Å; D94-L143 HydrophobicContact CB-CD2 3.99Å
95L95.4Very high87.3Confident0 Ų060.3 Ų60.30%028%0.284CS..Hα-helixtrans-63.7-29.3-176.1-178.964000111.4Y98 L99 F116 M120 P139 I142 V144 I202 V206L95-Y98 HydrophobicContact CD1-CD1 4.1Å; L95-Y98 PolarHBondContact O-N 3.37Å; L95-L99 HydrophobicContact CD1-CG 4.34Å; L95-L99 HydrophobicContact CG-CD1 4.24Å; L95-L99 HydrophobicContact CG-CG 4.47Å; L95-L99 VanDerWaalsContact O-CG 3.24Å; L95-L99 WeakPolarHBondContact O-CG 3.2Å; L95-L99 PolarHBondContact O-N 3.48Å; L95-F116 HydrophobicContact CD1-CD2 4.14Å; L95-F116 HydrophobicContact CD1-CE2 4.28Å; L95-M120 HydrophobicContact CD2-SD 4.34Å; L95-P139 HydrophobicContact CB-CB 4.18Å; L95-P139 WeakPolarHBondContact CB-O 3.45Å; L95-P139 HydrophobicContact CD2-CB 4.36Å; L95-P139 HydrophobicContact CG-CB 4.26Å; L95-P139 PolarHBondContact N-O 3.17Å; L95-I142 HydrophobicContact CB-CB 3.95Å; L95-I142 HydrophobicContact CB-CG2 4.04Å; L95-I142 HydrophobicContact CD2-CB 4.16Å; L95-I142 HydrophobicContact CD2-CD1 3.85Å; L95-I142 HydrophobicContact CD2-CG2 4.05Å; L95-I142 PolarHBondContact N-O 3.26Å; L95-V144 HydrophobicContact CB-CG2 4Å; L95-V144 HydrophobicContact CD1-CG2 4.14Å; L95-I202 HydrophobicContact CD2-CG2 4Å; L95-V206 HydrophobicContact CD1-CG2 4.29Å; L95-V206 HydrophobicContact CD2-CG2 3.73Å; L95-V206 HydrophobicContact CG-CG2 4.3Å
96K94Very high86.7Confident46 Ų4665.5 Ų65.520%0.231%0.312CS..Hα-helixtrans-63.4-52.3176.5-178.454.8-175.5147.70110.6D94 Y98 L99 D100 P139 Q140 E205D94-K96 PolarHBondContact O-N 3.23Å; D94-K96 WeakPolarHBondContact OD1-CA 3.09Å; D94-K96 VanDerWaalsContact OD1-CB 3.27Å; D94-K96 WeakPolarHBondContact OD1-CB 3.26Å; D94-K96 PolarHBondContact OD1-N 3.26Å; K96-Y98 VanDerWaalsContact C-N 3.32Å; K96-Y98 PolarHBondContact O-N 2.81Å; K96-L99 PolarHBondContact O-N 3.35Å; K96-D100 VanDerWaalsContact CE-OD2 3.26Å; K96-D100 WeakPolarHBondContact CE-OD2 3.27Å; K96-D100 IonicContact NZ-OD1 3.78Å; K96-D100 PolarHBondContact NZ-OD1 3.47Å; K96-D100 IonicContact NZ-OD2 2.77Å; K96-D100 PolarHBondContact NZ-OD2 3.47Å; K96-D100 VanDerWaalsContact O-CG 3.32Å; K96-D100 PolarHBondContact O-N 3.21Å; K96-P139 HydrophobicContact CB-CB 3.92Å; K96-P139 PolarHBondContact N-O 3.24Å; K96-Q140 HydrophobicContact CB-CG 3.97Å; K96-Q140 HydrophobicContact CG-CG 4.38Å; K96-E205 IonicContact NZ-OE1 3.86Å
97R92.2Very high86.5Confident140 Ų14069.5 Ų69.553%0.52833%0.333SS..Hα-helixtrans-61-41.6176.2-69.9-177-175.2-155.4-0.8111.5L93 D94 L99 D100 D101L93-R97 HydrophobicContact CD1-CB 3.43Å; L93-R97 VanDerWaalsContact CD1-CB 3.43Å; L93-R97 HydrophobicContact CD1-CG 4.49Å; L93-R97 HydrophobicContact CG-CB 4.33Å; D94-R97 PolarHBondContact O-N 3Å; D94-R97 PolarHBondContact OD1-N 3.04Å; D94-R97 WeakPolarHBondContact OD2-CD 3.45Å; D94-R97 WeakPolarHBondContact OD2-CG 3.48Å; D94-R97 IonicContact OD2-NE 3.25Å; D94-R97 PolarHBondContact OD2-NE 3.24Å; R97-L99 VanDerWaalsContact C-N 3.32Å; R97-L99 PolarHBondContact O-N 3.11Å; R97-D100 PolarHBondContact O-N 3.03Å; R97-D101 WeakPolarHBondContact O-CB 3.02Å; R97-D101 VanDerWaalsContact O-CG 3.3Å; R97-D101 PolarHBondContact O-N 2.82Å
98Y92.9Very high86.3Confident28 Ų2870.3 Ų70.311%0.1134%0.337CS..Hα-helixtrans-56.9-43.6176-179.6-102.7000112.7L93 D94 L95 K96 S102 L108 F116 V144 I146L93-Y98 HydrophobicContact CD2-CD2 3.75Å; L93-Y98 HydrophobicContact CD2-CG 4.23Å; D94-Y98 PolarHBondContact O-N 2.82Å; L95-Y98 HydrophobicContact CD1-CD1 4.1Å; L95-Y98 PolarHBondContact O-N 3.37Å; K96-Y98 VanDerWaalsContact C-N 3.32Å; K96-Y98 PolarHBondContact O-N 2.81Å; Y98-S102 WeakPolarHBondContact O-CB 3.16Å; Y98-S102 PolarHBondContact O-N 2.83Å; Y98-S102 PolarHBondContact O-OG 3.18Å; Y98-L108 HydrophobicContact CD1-CD1 4.41Å; Y98-L108 HydrophobicContact CE1-CD1 3.84Å; Y98-L108 HydrophobicContact CE1-CD2 3.62Å; Y98-L108 HydrophobicContact CE1-CG 4.4Å; Y98-F116 HydrophobicContact CD1-CE2 4.1Å; Y98-F116 AromaticContact CE1-CE2 3.69Å; Y98-F116 HydrophobicContact CE1-CE2 3.69Å; Y98-F116 HydrophobicContact CE1-CZ 4.32Å; Y98-V144 HydrophobicContact CD2-CG1 4.37Å; Y98-V144 HydrophobicContact CG-CG1 4.49Å; Y98-I146 HydrophobicContact CD2-CD1 4.15Å; Y98-I146 HydrophobicContact CD2-CG1 3.89Å; Y98-I146 HydrophobicContact CE2-CD1 4.38Å; Y98-I146 HydrophobicContact CE2-CG1 3.94Å
99L92.4Very high86.2Confident4 Ų474.3 Ų74.32%0.02136%0.356CS..Hα-helixtrans-67.8-40.3178-69.5170.5000112.3L95 K96 R97 L108 E205 V206L95-L99 HydrophobicContact CD1-CG 4.34Å; L95-L99 HydrophobicContact CG-CD1 4.24Å; L95-L99 HydrophobicContact CG-CG 4.47Å; L95-L99 VanDerWaalsContact O-CG 3.24Å; L95-L99 WeakPolarHBondContact O-CG 3.2Å; L95-L99 PolarHBondContact O-N 3.48Å; K96-L99 PolarHBondContact O-N 3.35Å; R97-L99 VanDerWaalsContact C-N 3.32Å; R97-L99 PolarHBondContact O-N 3.11Å; L99-L108 HydrophobicContact CD2-CD1 3.55Å; L99-L108 HydrophobicContact CD2-CG 4.19Å; L99-E205 HydrophobicContact CD1-CG 4.16Å; L99-V206 HydrophobicContact CD1-CG2 4.27Å
100D89.7Confident86.2Confident86 Ų8676.9 Ų76.946%0.4638%0.377SS..Hα-helixtrans-68-43.6179.6-67.7-21.4000111.5K96 R97 S102 G103K96-D100 VanDerWaalsContact CE-OD2 3.26Å; K96-D100 WeakPolarHBondContact CE-OD2 3.27Å; K96-D100 IonicContact NZ-OD1 3.78Å; K96-D100 PolarHBondContact NZ-OD1 3.47Å; K96-D100 IonicContact NZ-OD2 2.77Å; K96-D100 PolarHBondContact NZ-OD2 3.47Å; K96-D100 VanDerWaalsContact O-CG 3.32Å; K96-D100 PolarHBondContact O-N 3.21Å; R97-D100 PolarHBondContact O-N 3.03Å; D100-S102 PolarHBondContact O-N 3.05Å; D100-G103 PolarHBondContact O-N 2.67Å
101D86.6Confident86.2Confident126 Ų12676.1 Ų76.167%0.67439%0.385SS*.Hα-helixtrans-70.1-29.6-179.5-72.5-13.6000112.9R97 G103R97-D101 WeakPolarHBondContact O-CB 3.02Å; R97-D101 VanDerWaalsContact O-CG 3.3Å; R97-D101 PolarHBondContact O-N 2.82Å; D101-G103 PolarHBondContact O-N 3.18Å
102S79.9Confident86.1Confident43 Ų4376.4 Ų76.430%0.30139%0.387SS..THydrogen-bonded Turntrans-69.35.3178.8-62.40000113.6Y98 D100 K209Y98-S102 WeakPolarHBondContact O-CB 3.16Å; Y98-S102 PolarHBondContact O-N 2.83Å; Y98-S102 PolarHBondContact O-OG 3.18Å; D100-S102 PolarHBondContact O-N 3.05Å; S102-K209 VanDerWaalsContact C-NZ 3.32Å; S102-K209 PolarHBondContact O-NZ 3Å
103G68.3Low86.6Confident33 Ų3371.7 Ų71.734%0.3436%0.362SS..  trans74.8135.1177.800000113.6D100 D101 K105 K209D100-G103 PolarHBondContact O-N 2.67Å; D101-G103 PolarHBondContact O-N 3.18Å; G103-K105 PolarHBondContact O-N 2.69Å; G103-K105 VanDerWaalsContact O-N 3.16Å; G103-K209 PolarHBondContact O-NZ 3.38Å
104R65.2Low86.8Confident240 Ų24072.2 Ų72.291%0.90636%0.363SS*.THydrogen-bonded Turntrans-62.6-24.6-175.9-69.7-175.3-176.3157.42.3114.9
105K64.2Low86.9Confident203 Ų20371.8 Ų71.888%0.88336%0.363SS*.THydrogen-bonded Turntrans-84.1-25.8-171.9-70.8-171.6177.4-176.80114.4G103G103-K105 PolarHBondContact O-N 2.69Å; G103-K105 VanDerWaalsContact O-N 3.16Å
106N76.4Confident86.9Confident118 Ų11871.9 Ų71.963%0.63136%0.363SS*.SBendtrans-107.9119.4-174.8-63.9-14.8000108.8K209N106-K209 WeakPolarHBondContact O-CE 3.4Å; N106-K209 PolarHBondContact O-NZ 2.92Å
107L84.9Confident87.1Confident91 Ų9169.7 Ų69.748%0.47635%0.353SS..PPolyproline II helixtrans-62.1157.2168.8-59.7-177.1000109.8S207 K209 A268L107-S207 WeakPolarHBondContact CD2-O 3.29Å; L107-K209 HydrophobicContact CD2-CG 4.43Å; L107-A268 HydrophobicContact CD1-CB 4.31Å
108L87.7Confident87.4Confident17 Ų1763 Ų639%0.08933%0.328CS..PPolyproline II helixtrans-64.7149169.8-68.2178.7000109.6Y98 L99 V113 V206Y98-L108 HydrophobicContact CD1-CD1 4.41Å; Y98-L108 HydrophobicContact CE1-CD1 3.84Å; Y98-L108 HydrophobicContact CE1-CD2 3.62Å; Y98-L108 HydrophobicContact CE1-CG 4.4Å; L99-L108 HydrophobicContact CD2-CD1 3.55Å; L99-L108 HydrophobicContact CD2-CG 4.19Å; L108-V113 HydrophobicContact CB-CG2 3.72Å; L108-V206 HydrophobicContact CD1-CG1 3.74Å
109E89.7Confident87.6Confident123 Ų12361.8 Ų61.858%0.57532%0.323SS*.PPolyproline II helixtrans-57.2132.6173.3-170.3-165.9162.600109.6G111 I112 V113E109-G111 PolarHBondContact O-N 3.06Å; E109-G111 VanDerWaalsContact O-N 3.08Å; E109-I112 HydrophobicContact CB-CD1 4.12Å; E109-I112 HydrophobicContact CB-CG1 4.18Å; E109-I112 WeakPolarHBondContact O-CB 3.44Å; E109-I112 PolarHBondContact O-N 3.18Å; E109-V113 PolarHBondContact O-N 3.44Å; E109-V113 VanDerWaalsContact O-N 3.15Å
110P92.1Very high87.8Confident96 Ų9661.7 Ų61.762%0.62332%0.323SS*.Hα-helixtrans-53.3-34-178.1-29.535.5000114I112 V113 K114P110-I112 PolarHBondContact O-N 2.92Å; P110-V113 PolarHBondContact O-N 2.82Å; P110-K114 VanDerWaalsContact O-CB 3.3Å; P110-K114 WeakPolarHBondContact O-CB 3.28Å; P110-K114 PolarHBondContact O-N 2.82Å
111G93.1Very high88.2Confident37 Ų3757.6 Ų57.638%0.38130%0.301SS..Hα-helixtrans-63.4-37.5175.300000113.5E109 S115E109-G111 PolarHBondContact O-N 3.06Å; E109-G111 VanDerWaalsContact O-N 3.08Å; G111-S115 WeakPolarHBondContact O-CB 3.34Å; G111-S115 PolarHBondContact O-N 3.34Å
112I92.4Very high88.7Confident27 Ų2751.6 Ų51.614%0.13827%0.269CS..Hα-helixtrans-69.3-47175.9-64.4176.2000110E109 P110 K114 S115 F116E109-I112 HydrophobicContact CB-CD1 4.12Å; E109-I112 HydrophobicContact CB-CG1 4.18Å; E109-I112 WeakPolarHBondContact O-CB 3.44Å; E109-I112 PolarHBondContact O-N 3.18Å; P110-I112 PolarHBondContact O-N 2.92Å; I112-K114 VanDerWaalsContact C-N 3.31Å; I112-K114 PolarHBondContact O-N 3.06Å; I112-S115 PolarHBondContact O-N 3Å; I112-F116 HydrophobicContact CG2-CD1 4.19Å; I112-F116 HydrophobicContact CG2-CD2 4.05Å; I112-F116 HydrophobicContact CG2-CE1 3.97Å; I112-F116 HydrophobicContact CG2-CE2 3.82Å; I112-F116 HydrophobicContact CG2-CG 4.24Å; I112-F116 HydrophobicContact CG2-CZ 3.78Å; I112-F116 WeakPolarHBondContact O-CB 3.39Å; I112-F116 WeakPolarHBondContact O-CG 3.34Å; I112-F116 PolarHBondContact O-N 3.44Å
113V95Very high89.4Confident5 Ų549.5 Ų49.53%0.0325%0.254CS..Hα-helixtrans-55.5-49.9177.31800000110.2L108 E109 P110 F116 M117 F203 V206 S207L108-V113 HydrophobicContact CB-CG2 3.72Å; E109-V113 PolarHBondContact O-N 3.44Å; E109-V113 VanDerWaalsContact O-N 3.15Å; P110-V113 PolarHBondContact O-N 2.82Å; V113-F116 PolarHBondContact O-N 3.16Å; V113-M117 HydrophobicContact CG1-CG 4.48Å; V113-M117 WeakPolarHBondContact O-CB 3.4Å; V113-M117 WeakPolarHBondContact O-CG 3.48Å; V113-M117 PolarHBondContact O-N 2.99Å; V113-F203 HydrophobicContact CG1-CD2 4.14Å; V113-F203 HydrophobicContact CG1-CE2 3.85Å; V113-V206 HydrophobicContact CB-CG1 4.32Å; V113-V206 HydrophobicContact CG1-CG1 3.98Å; V113-V206 HydrophobicContact CG2-CG1 4.06Å; V113-S207 WeakPolarHBondContact CG1-OG 3.34Å
114K96.5Very high90.6Very high26 Ų2648 Ų4811%0.11324%0.238CC..Hα-helixtrans-60-47.3178.7-170.3177.3-64.9-174.30112P110 I112 M117 Y118 Y299 F300 D302 L303P110-K114 VanDerWaalsContact O-CB 3.3Å; P110-K114 WeakPolarHBondContact O-CB 3.28Å; P110-K114 PolarHBondContact O-N 2.82Å; I112-K114 VanDerWaalsContact C-N 3.31Å; I112-K114 PolarHBondContact O-N 3.06Å; K114-M117 PolarHBondContact O-N 3.14Å; K114-Y118 WeakPolarHBondContact O-CB 3.39Å; K114-Y118 PolarHBondContact O-N 2.91Å; K114-Y299 HydrophobicContact CB-CE1 4.12Å; K114-Y299 VanDerWaalsContact CD-O 3.3Å; K114-Y299 WeakPolarHBondContact CD-O 3.35Å; K114-Y299 WeakPolarHBondContact CE-O 3.41Å; K114-Y299 HydrophobicContact CG-CD1 4.33Å; K114-Y299 HydrophobicContact CG-CE1 3.82Å; K114-Y299 PolarHBondContact NZ-O 3.24Å; K114-F300 HydrophobicContact CD-CD1 4.44Å; K114-F300 HydrophobicContact CG-CD1 3.63Å; K114-F300 HydrophobicContact CG-CE1 3.94Å; K114-F300 WeakPolarHBondContact O-CE1 3.46Å; K114-D302 IonicContact NZ-OD1 3.12Å; K114-D302 PolarHBondContact NZ-OD1 2.72Å; K114-D302 IonicContact NZ-OD2 3.42Å; K114-D302 PolarHBondContact NZ-OD2 3.44Å; K114-L303 HydrophobicContact CD-CB 4.06Å; K114-L303 HydrophobicContact CD-CD1 4.32Å; K114-L303 HydrophobicContact CG-CB 4.39Å; K114-L303 HydrophobicContact CG-CD1 4.18Å
115S95.6Very high92Very high19 Ų1937.2 Ų37.213%0.13320%0.199CC..Hα-helixtrans-61.5-45.8177.5178.80000112.5G111 I112 Y118 Q119G111-S115 WeakPolarHBondContact O-CB 3.34Å; G111-S115 PolarHBondContact O-N 3.34Å; I112-S115 PolarHBondContact O-N 3Å; S115-Y118 PolarHBondContact O-N 3.26Å; S115-Q119 WeakPolarHBondContact O-CB 3.4Å; S115-Q119 VanDerWaalsContact O-CG 3.31Å; S115-Q119 WeakPolarHBondContact O-CG 3.35Å; S115-Q119 PolarHBondContact O-N 3.43Å; S115-Q119 PolarHBondContact OG-NE2 3.31Å
116F96.3Very high93.3Very high2 Ų228 Ų281%0.00916%0.158CC..Hα-helixtrans-64.2-44.5179.4-75.77.4000111.3L95 Y98 I112 V113 Y118 Q119 M120 V144 K149 V151L95-F116 HydrophobicContact CD1-CD2 4.14Å; L95-F116 HydrophobicContact CD1-CE2 4.28Å; Y98-F116 HydrophobicContact CD1-CE2 4.1Å; Y98-F116 AromaticContact CE1-CE2 3.69Å; Y98-F116 HydrophobicContact CE1-CE2 3.69Å; Y98-F116 HydrophobicContact CE1-CZ 4.32Å; I112-F116 HydrophobicContact CG2-CD1 4.19Å; I112-F116 HydrophobicContact CG2-CD2 4.05Å; I112-F116 HydrophobicContact CG2-CE1 3.97Å; I112-F116 HydrophobicContact CG2-CE2 3.82Å; I112-F116 HydrophobicContact CG2-CG 4.24Å; I112-F116 HydrophobicContact CG2-CZ 3.78Å; I112-F116 WeakPolarHBondContact O-CB 3.39Å; I112-F116 WeakPolarHBondContact O-CG 3.34Å; I112-F116 PolarHBondContact O-N 3.44Å; V113-F116 PolarHBondContact O-N 3.16Å; F116-Y118 VanDerWaalsContact C-N 3.34Å; F116-Y118 PolarHBondContact O-N 3.26Å; F116-Q119 PolarHBondContact O-N 2.91Å; F116-M120 HydrophobicContact CB-CE 4.4Å; F116-M120 WeakPolarHBondContact O-CB 3.42Å; F116-M120 WeakPolarHBondContact O-CE 3.39Å; F116-M120 VanDerWaalsContact O-CG 3.28Å; F116-M120 WeakPolarHBondContact O-CG 3.49Å; F116-M120 PolarHBondContact O-N 2.93Å; F116-V144 HydrophobicContact CE2-CG1 4.22Å; F116-V144 HydrophobicContact CZ-CG1 3.91Å; F116-K149 HydrophobicContact CE1-CB 4.45Å; F116-V151 HydrophobicContact CB-CG1 4.14Å; F116-V151 HydrophobicContact CB-CG2 4.39Å; F116-V151 HydrophobicContact CD1-CG1 3.59Å; F116-V151 HydrophobicContact CD2-CG1 3.73Å; F116-V151 HydrophobicContact CE1-CG1 3.79Å; F116-V151 HydrophobicContact CE2-CG1 3.92Å; F116-V151 HydrophobicContact CG-CG1 3.55Å; F116-V151 HydrophobicContact CZ-CG1 3.95Å
117M98Very high93.9Very high0 Ų022.3 Ų22.30%013%0.128CC..Hα-helixtrans-59.8-44.2175.9-73.3-50.4-51.300112.5V113 K114 M120 L121 M199 F203 M280 F300V113-M117 HydrophobicContact CG1-CG 4.48Å; V113-M117 WeakPolarHBondContact O-CB 3.4Å; V113-M117 WeakPolarHBondContact O-CG 3.48Å; V113-M117 PolarHBondContact O-N 2.99Å; K114-M117 PolarHBondContact O-N 3.14Å; M117-M120 HydrophobicContact CE-CE 4.12Å; M117-M120 HydrophobicContact CG-CE 4.34Å; M117-M120 PolarHBondContact O-N 3.05Å; M117-M120 HydrophobicContact SD-CE 3.26Å; M117-M120 WeakPolarHBondContact SD-CE 3.49Å; M117-L121 WeakPolarHBondContact O-CB 3.12Å; M117-L121 WeakPolarHBondContact O-CG 3.27Å; M117-L121 PolarHBondContact O-N 3.23Å; M117-M199 HydrophobicContact CE-CG 3.69Å; M117-M199 HydrophobicContact CE-SD 3.87Å; M117-F203 HydrophobicContact CE-CB 3.54Å; M117-F203 HydrophobicContact CE-CD1 4.38Å; M117-F203 HydrophobicContact CE-CD2 4.3Å; M117-F203 HydrophobicContact CE-CG 3.84Å; M117-F203 HydrophobicContact CG-CB 4.35Å; M117-F203 HydrophobicContact CG-CD2 3.34Å; M117-F203 HydrophobicContact CG-CE2 3.71Å; M117-F203 HydrophobicContact CG-CG 3.88Å; M117-F203 HydrophobicContact CG-CZ 4.49Å; M117-F203 VanDerWaalsContact SD-CA 3.51Å; M117-F203 HydrophobicContact SD-CB 3.54Å; M117-F203 VanDerWaalsContact SD-CB 3.54Å; M117-F203 HydrophobicContact SD-CD2 3.66Å; M117-F203 HydrophobicContact SD-CG 3.75Å; M117-M280 HydrophobicContact CE-CE 4.34Å; M117-F300 HydrophobicContact CB-CE1 4.12Å; M117-F300 HydrophobicContact CB-CZ 4.02Å
118Y97.8Very high94.1Very high0 Ų019.3 Ų19.30%011%0.112CC..Hα-helixtrans-59.3-52.2177.5-163.5-97.7000111.1K114 S115 F116 M120 L121 Q122 L295 F300 L303 K305 V308 E314K114-Y118 WeakPolarHBondContact O-CB 3.39Å; K114-Y118 PolarHBondContact O-N 2.91Å; S115-Y118 PolarHBondContact O-N 3.26Å; F116-Y118 VanDerWaalsContact C-N 3.34Å; F116-Y118 PolarHBondContact O-N 3.26Å; Y118-M120 PolarHBondContact O-N 2.8Å; Y118-L121 WeakPolarHBondContact O-CB 3.18Å; Y118-L121 PolarHBondContact O-N 3.5Å; Y118-L121 VanDerWaalsContact O-N 3.13Å; Y118-Q122 HydrophobicContact CD1-CG 4.07Å; Y118-Q122 VanDerWaalsContact CE1-CD 3.48Å; Y118-Q122 HydrophobicContact CE1-CG 4.05Å; Y118-Q122 VanDerWaalsContact CE1-NE2 3.26Å; Y118-Q122 WeakPolarHBondContact O-CG 3.45Å; Y118-Q122 PolarHBondContact O-N 3.06Å; Y118-L295 HydrophobicContact CD1-CD2 4.19Å; Y118-L295 HydrophobicContact CD2-CD2 3.58Å; Y118-L295 HydrophobicContact CE1-CD2 4.13Å; Y118-L295 HydrophobicContact CE2-CB 4.32Å; Y118-L295 HydrophobicContact CE2-CD2 3.53Å; Y118-L295 HydrophobicContact CG-CD2 3.94Å; Y118-F300 HydrophobicContact CD2-CB 3.88Å; Y118-F300 AromaticContact CD2-CD1 3.58Å; Y118-F300 HydrophobicContact CD2-CD1 3.58Å; Y118-F300 AromaticContact CD2-CD2 3.83Å; Y118-F300 HydrophobicContact CD2-CD2 3.83Å; Y118-F300 AromaticContact CD2-CE1 3.99Å; Y118-F300 HydrophobicContact CD2-CE1 3.99Å; Y118-F300 HydrophobicContact CD2-CE2 4.21Å; Y118-F300 AromaticContact CD2-CG 3.49Å; Y118-F300 HydrophobicContact CD2-CG 3.49Å; Y118-F300 VanDerWaalsContact CD2-CG 3.49Å; Y118-F300 HydrophobicContact CD2-CZ 4.29Å; Y118-F300 HydrophobicContact CE2-CB 3.97Å; Y118-F300 HydrophobicContact CE2-CD1 4.49Å; Y118-F300 HydrophobicContact CE2-CD2 4.26Å; Y118-F300 HydrophobicContact CE2-CG 4.02Å; Y118-F300 HydrophobicContact CG-CD1 4.29Å; Y118-F300 HydrophobicContact CG-CE1 4.47Å; Y118-L303 HydrophobicContact CD1-CD2 4.02Å; Y118-L303 HydrophobicContact CD2-CD2 3.86Å; Y118-L303 HydrophobicContact CG-CD2 3.54Å; Y118-K305 WeakPolarHBondContact OH-CE 3.35Å; Y118-V308 HydrophobicContact CD1-CB 4.37Å; Y118-V308 HydrophobicContact CD1-CG1 4.04Å; Y118-V308 HydrophobicContact CD1-CG2 4Å; Y118-V308 HydrophobicContact CE1-CG2 3.92Å; Y118-E314 PolarHBondContact OH-OE1 3.13Å; Y118-E314 VanDerWaalsContact OH-OE1 3.12Å; Y118-E314 PolarHBondContact OH-OE2 3.26Å
119Q97.2Very high94Very high2 Ų221.2 Ų21.21%0.00914%0.136CC..Hα-helixtrans-59.2-41.2179-76.6-176.668.500113.3N70 S115 F116 Q122 G123 K149 V151 V308N70-Q119 WeakPolarHBondContact CB-O 3.27Å; N70-Q119 VanDerWaalsContact CG-O 3.29Å; N70-Q119 WeakPolarHBondContact ND2-CB 3.23Å; N70-Q119 PolarHBondContact ND2-OE1 3.38Å; S115-Q119 WeakPolarHBondContact O-CB 3.4Å; S115-Q119 VanDerWaalsContact O-CG 3.31Å; S115-Q119 WeakPolarHBondContact O-CG 3.35Å; S115-Q119 PolarHBondContact O-N 3.43Å; S115-Q119 PolarHBondContact OG-NE2 3.31Å; F116-Q119 PolarHBondContact O-N 2.91Å; Q119-Q122 PolarHBondContact O-N 2.91Å; Q119-G123 PolarHBondContact O-N 3.31Å; Q119-G123 VanDerWaalsContact O-N 3.08Å; Q119-K149 PolarHBondContact NE2-O 2.94Å; Q119-V151 HydrophobicContact CB-CG2 3.4Å; Q119-V151 HydrophobicContact CG-CG2 4.39Å; Q119-V151 VanDerWaalsContact OE1-N 3.13Å; Q119-V308 HydrophobicContact CG-CB 4.27Å; Q119-V308 HydrophobicContact CG-CG1 4.15Å
120M98Very high93.6Very high1 Ų119.6 Ų19.61%0.00512%0.124CC..Hα-helixtrans-65.2-39.8175.7-71.8-175-67.400111.9L95 F116 M117 Y118 G123 L124 I142 V151 L153 M199 I202L95-M120 HydrophobicContact CD2-SD 4.34Å; F116-M120 HydrophobicContact CB-CE 4.4Å; F116-M120 WeakPolarHBondContact O-CB 3.42Å; F116-M120 WeakPolarHBondContact O-CE 3.39Å; F116-M120 VanDerWaalsContact O-CG 3.28Å; F116-M120 WeakPolarHBondContact O-CG 3.49Å; F116-M120 PolarHBondContact O-N 2.93Å; M117-M120 HydrophobicContact CE-CE 4.12Å; M117-M120 HydrophobicContact CG-CE 4.34Å; M117-M120 PolarHBondContact O-N 3.05Å; M117-M120 HydrophobicContact SD-CE 3.26Å; M117-M120 WeakPolarHBondContact SD-CE 3.49Å; Y118-M120 PolarHBondContact O-N 2.8Å; M120-G123 PolarHBondContact O-N 3.48Å; M120-L124 WeakPolarHBondContact O-CB 3.28Å; M120-L124 PolarHBondContact O-N 3.49Å; M120-I142 HydrophobicContact CG-CG2 4.37Å; M120-I142 HydrophobicContact SD-CD1 3.37Å; M120-I142 WeakPolarHBondContact SD-CD1 3.5Å; M120-I142 HydrophobicContact SD-CG1 4.08Å; M120-I142 HydrophobicContact SD-CG2 3.96Å; M120-V151 HydrophobicContact CG-CB 4.47Å; M120-V151 HydrophobicContact CG-CG2 3.77Å; M120-L153 HydrophobicContact CB-CD2 4.35Å; M120-L153 HydrophobicContact CG-CD2 4.25Å; M120-M199 HydrophobicContact CB-CE 3.66Å; M120-M199 HydrophobicContact CB-SD 3.65Å; M120-M199 HydrophobicContact CE-SD 4.16Å; M120-M199 HydrophobicContact CG-SD 4.43Å; M120-M199 HydrophobicContact SD-SD 4.05Å; M120-I202 HydrophobicContact CE-CG2 4.08Å; M120-I202 HydrophobicContact SD-CG2 4.17Å
121L98.1Very high93.1Very high0 Ų026 Ų260%014%0.136CC..Hα-helixtrans-67-35.2175.4-73168.3000112.5M117 Y118 L124 L125 M199 M280 A291 A294 L295 F300M117-L121 WeakPolarHBondContact O-CB 3.12Å; M117-L121 WeakPolarHBondContact O-CG 3.27Å; M117-L121 PolarHBondContact O-N 3.23Å; Y118-L121 WeakPolarHBondContact O-CB 3.18Å; Y118-L121 PolarHBondContact O-N 3.5Å; Y118-L121 VanDerWaalsContact O-N 3.13Å; L121-L124 PolarHBondContact O-N 3.1Å; L121-L125 WeakPolarHBondContact O-CB 3.38Å; L121-L125 PolarHBondContact O-N 3.4Å; L121-M199 HydrophobicContact CD2-CG 4.07Å; L121-M280 HydrophobicContact CD1-CE 3.9Å; L121-M280 HydrophobicContact CD2-CE 3.94Å; L121-M280 HydrophobicContact CG-CE 4.38Å; L121-A291 HydrophobicContact CD2-CB 4.44Å; L121-A294 HydrophobicContact CD1-CB 3.77Å; L121-A294 HydrophobicContact CD2-CB 3.99Å; L121-L295 HydrophobicContact CB-CD2 3.65Å; L121-L295 HydrophobicContact CB-CG 3.89Å; L121-F300 HydrophobicContact CD1-CE2 3.75Å; L121-F300 HydrophobicContact CD1-CZ 3.84Å
122Q95.9Very high92.6Very high0 Ų025.4 Ų25.40%013%0.125CC..Hα-helixtrans-62.2-51173.2-67.5-174.7-57.100111.2Y118 Q119 L124 L125 F126 L295 A310Y118-Q122 HydrophobicContact CD1-CG 4.07Å; Y118-Q122 VanDerWaalsContact CE1-CD 3.48Å; Y118-Q122 HydrophobicContact CE1-CG 4.05Å; Y118-Q122 VanDerWaalsContact CE1-NE2 3.26Å; Y118-Q122 WeakPolarHBondContact O-CG 3.45Å; Y118-Q122 PolarHBondContact O-N 3.06Å; Q119-Q122 PolarHBondContact O-N 2.91Å; Q122-L124 PolarHBondContact O-N 3.41Å; Q122-L125 PolarHBondContact O-N 3.01Å; Q122-F126 WeakPolarHBondContact O-CB 3.2Å; Q122-F126 PolarHBondContact O-N 3.39Å; Q122-L295 HydrophobicContact CG-CD1 4.17Å; Q122-L295 HydrophobicContact CG-CD2 3.74Å; Q122-A310 PolarHBondContact NE2-O 3.48Å
123G95Very high92.2Very high0 Ų025.3 Ų25.30%013%0.125CC..Hα-helixtrans-56.1-39.2174.100000112.5Q119 M120 C127Q119-G123 PolarHBondContact O-N 3.31Å; Q119-G123 VanDerWaalsContact O-N 3.08Å; M120-G123 PolarHBondContact O-N 3.48Å; G123-C127 PolarHBondContact O-N 3.29Å; G123-C127 PolarHBondContact O-SG 3.12Å
124L94.4Very high91.8Very high0 Ų025.1 Ų25.10%012%0.123CC..Hα-helixtrans-72.7-42-179.5-167.361000112.9M120 L121 Q122 F126 C127 H128 L137 L153 D195 I196 M199M120-L124 WeakPolarHBondContact O-CB 3.28Å; M120-L124 PolarHBondContact O-N 3.49Å; L121-L124 PolarHBondContact O-N 3.1Å; Q122-L124 PolarHBondContact O-N 3.41Å; L124-F126 VanDerWaalsContact C-N 3.3Å; L124-F126 PolarHBondContact O-N 2.9Å; L124-C127 WeakPolarHBondContact O-CB 3.32Å; L124-C127 PolarHBondContact O-N 3.1Å; L124-C127 VanDerWaalsContact O-N 3.17Å; L124-H128 WeakPolarHBondContact CD1-NE2 3.4Å; L124-H128 VanDerWaalsContact CG-CE1 3.46Å; L124-H128 WeakPolarHBondContact CG-CE1 3.41Å; L124-H128 VanDerWaalsContact O-CG 3.31Å; L124-H128 PolarHBondContact O-N 2.77Å; L124-L137 HydrophobicContact CD1-CD1 4.11Å; L124-L137 HydrophobicContact CD2-CD1 4.29Å; L124-L153 HydrophobicContact CB-CD1 4.2Å; L124-L153 HydrophobicContact CD1-CD1 4.44Å; L124-D195 HydrophobicContact CD1-CB 3.76Å; L124-D195 HydrophobicContact CD2-CB 3.84Å; L124-D195 HydrophobicContact CG-CB 4.33Å; L124-I196 HydrophobicContact CD2-CD1 3.83Å; L124-M199 HydrophobicContact CB-CE 4.39Å; L124-M199 HydrophobicContact CD2-CE 3.95Å
125L94Very high91.3Very high14 Ų1427.7 Ų27.77%0.07313%0.132CC..Hα-helixtrans-57.5-45.6174174.260.3000110.7L121 Q122 C127 H128 G129 A291 R292 L295 E313L121-L125 WeakPolarHBondContact O-CB 3.38Å; L121-L125 PolarHBondContact O-N 3.4Å; Q122-L125 PolarHBondContact O-N 3.01Å; L125-C127 VanDerWaalsContact C-N 3.26Å; L125-C127 PolarHBondContact O-N 3.16Å; L125-H128 PolarHBondContact O-N 3.12Å; L125-G129 PolarHBondContact O-N 3.43Å; L125-A291 HydrophobicContact CB-CB 4.01Å; L125-R292 HydrophobicContact CD1-CB 3.94Å; L125-L295 HydrophobicContact CB-CD1 4.25Å; L125-L295 HydrophobicContact CD2-CD1 3.66Å; L125-E313 WeakPolarHBondContact CD2-O 3.07Å
126F91.3Very high90.9Very high9 Ų928.8 Ų28.84%0.03914%0.137CC..Hα-helixtrans-58-40177.7-172.9-82.3000112.3L66 Q67 H68 I71 Q122 L124 R130 L363L66-F126 HydrophobicContact CD2-CD1 4.29Å; L66-F126 HydrophobicContact CD2-CE1 4.15Å; Q67-F126 WeakPolarHBondContact O-CZ 3.14Å; H68-F126 HydrophobicContact CB-CB 4.42Å; H68-F126 HydrophobicContact CB-CD1 3.89Å; H68-F126 HydrophobicContact CB-CD2 3.93Å; H68-F126 HydrophobicContact CB-CE1 4.04Å; H68-F126 HydrophobicContact CB-CE2 4.04Å; H68-F126 HydrophobicContact CB-CG 3.82Å; H68-F126 HydrophobicContact CB-CZ 4.08Å; H68-F126 AromaticContact CD2-CD2 3.5Å; H68-F126 VanDerWaalsContact CD2-CD2 3.5Å; H68-F126 WeakPolarHBondContact CD2-CD2 3.2Å; H68-F126 AromaticContact CD2-CG 3.89Å; H68-F126 AromaticContact CG-CD2 3.9Å; H68-F126 AromaticContact CG-CG 3.89Å; I71-F126 HydrophobicContact CD1-CB 4.4Å; I71-F126 HydrophobicContact CD1-CD1 3.63Å; I71-F126 HydrophobicContact CD1-CE1 4.3Å; I71-F126 HydrophobicContact CD1-CG 4.32Å; Q122-F126 WeakPolarHBondContact O-CB 3.2Å; Q122-F126 PolarHBondContact O-N 3.39Å; L124-F126 VanDerWaalsContact C-N 3.3Å; L124-F126 PolarHBondContact O-N 2.9Å; F126-R130 VanDerWaalsContact CD2-NH1 3.33Å; F126-R130 VanDerWaalsContact CE2-CZ 3.48Å; F126-R130 PolarHBondContact O-NH1 3.46Å; F126-L363 HydrophobicContact CD2-CD1 4.45Å; F126-L363 HydrophobicContact CD2-CD2 3.85Å; F126-L363 HydrophobicContact CE2-CD2 3.54Å; F126-L363 HydrophobicContact CZ-CD2 4.45Å
127C89.4Confident90.7Very high0 Ų028.7 Ų28.70%014%0.136CC..Hα-helixtrans-68-50.1175.5-64.80000111.8I71 G123 L124 L125 G129 R130 R131 V132 F156I71-C127 WeakPolarHBondContact CD1-SG 3.27Å; G123-C127 PolarHBondContact O-N 3.29Å; G123-C127 PolarHBondContact O-SG 3.12Å; L124-C127 WeakPolarHBondContact O-CB 3.32Å; L124-C127 PolarHBondContact O-N 3.1Å; L124-C127 VanDerWaalsContact O-N 3.17Å; L125-C127 VanDerWaalsContact C-N 3.26Å; L125-C127 PolarHBondContact O-N 3.16Å; C127-G129 VanDerWaalsContact C-N 3.3Å; C127-G129 PolarHBondContact O-N 3.19Å; C127-R130 CarbonylContact O-C 3.59Å; C127-R130 WeakPolarHBondContact O-CA 3.32Å; C127-R130 PolarHBondContact O-N 2.78Å; C127-R131 PolarHBondContact O-N 3.15Å; C127-V132 CarbonylContact C-O 3.4Å; C127-V132 HydrophobicContact CB-CB 4.08Å; C127-V132 HydrophobicContact CB-CG1 4.21Å; C127-V132 WeakPolarHBondContact O-CB 3.09Å; C127-V132 PolarHBondContact O-N 3.1Å; C127-F156 HydrophobicContact CB-CE1 4.41Å; C127-F156 WeakPolarHBondContact SG-CE1 3.36Å
128H88.9Confident90.5Very high27 Ų2730.2 Ų30.213%0.12514%0.143CC..Hα-helixtrans-61.8-38.9-178-69.4-180000111.7L124 L125 R130 R131 V132 C192 D195L124-H128 WeakPolarHBondContact CD1-NE2 3.4Å; L124-H128 VanDerWaalsContact CG-CE1 3.46Å; L124-H128 WeakPolarHBondContact CG-CE1 3.41Å; L124-H128 VanDerWaalsContact O-CG 3.31Å; L124-H128 PolarHBondContact O-N 2.77Å; L125-H128 PolarHBondContact O-N 3.12Å; H128-R130 PolarHBondContact O-N 3.47Å; H128-R131 PolarHBondContact O-N 3.19Å; H128-V132 PolarHBondContact CD2-O 3Å; H128-C192 VanDerWaalsContact CE1-CB 3.47Å; H128-C192 WeakPolarHBondContact CE1-CB 3.02Å; H128-C192 PolarHBondContact CE1-O 3.21Å; H128-C192 VanDerWaalsContact CG-SG 3.54Å; H128-C192 WeakPolarHBondContact ND1-CB 3.47Å; H128-D195 IonicContact CD2-OD2 3.54Å; H128-D195 IonicContact CE1-OD2 3Å; H128-D195 IonicContact NE2-OD2 3.54Å; H128-D195 PolarHBondContact NE2-OD2 2.89Å
129G84.8Confident90.4Very high58 Ų5830.2 Ų30.260%0.59814%0.143SC*.Hα-helixtrans-60.8-23.7173.400000113.9L125 C127L125-G129 PolarHBondContact O-N 3.43Å; C127-G129 VanDerWaalsContact C-N 3.3Å; C127-G129 PolarHBondContact O-N 3.19Å
130R83Confident90.1Very high89 Ų8933.5 Ų33.534%0.33616%0.158SC..THydrogen-bonded Turntrans-101.115.1175.1-71.3172.9175.671.7-1.5113.3F126 C127 H128 V132F126-R130 VanDerWaalsContact CD2-NH1 3.33Å; F126-R130 VanDerWaalsContact CE2-CZ 3.48Å; F126-R130 PolarHBondContact O-NH1 3.46Å; C127-R130 CarbonylContact O-C 3.59Å; C127-R130 WeakPolarHBondContact O-CA 3.32Å; C127-R130 PolarHBondContact O-N 2.78Å; H128-R130 PolarHBondContact O-N 3.47Å; R130-V132 HydrophobicContact CB-CG2 4.29Å; R130-V132 PolarHBondContact O-N 2.64Å
131R81.3Confident89.9Confident230 Ų23034.1 Ų34.187%0.86816%0.162SC*.THydrogen-bonded Turntrans60.126.3-179.1-49.5179.2-178.9-158-0.6113.2C127 H128C127-R131 PolarHBondContact O-N 3.15Å; H128-R131 PolarHBondContact O-N 3.19Å
132V81.2Confident89.8Confident25 Ų2534.1 Ų34.115%0.15216%0.162CC..  trans-97.2121.7175.1176.30000108.5L66 C127 H128 R130 F156 A159L66-V132 HydrophobicContact CD1-CG1 4.02Å; L66-V132 HydrophobicContact CD1-CG2 4.43Å; L66-V132 HydrophobicContact CD2-CG2 4.16Å; C127-V132 CarbonylContact C-O 3.4Å; C127-V132 HydrophobicContact CB-CB 4.08Å; C127-V132 HydrophobicContact CB-CG1 4.21Å; C127-V132 WeakPolarHBondContact O-CB 3.09Å; C127-V132 PolarHBondContact O-N 3.1Å; H128-V132 PolarHBondContact CD2-O 3Å; R130-V132 HydrophobicContact CB-CG2 4.29Å; R130-V132 PolarHBondContact O-N 2.64Å; V132-F156 HydrophobicContact CG1-CD1 4.04Å; V132-F156 HydrophobicContact CG1-CE1 4.46Å; V132-A159 HydrophobicContact CG1-CB 3.55Å
133I84.6Confident89.8Confident25 Ų2535.7 Ų35.713%0.12817%0.17CC..  trans-109.1127.7173.9-52.6173.4000107.6R135 A159 V194 D195I133-R135 HydrophobicContact CB-CG 4.21Å; I133-R135 HydrophobicContact CG2-CG 3.63Å; I133-A159 WeakPolarHBondContact O-CB 3.42Å; I133-V194 HydrophobicContact CG2-CG2 3.74Å; I133-D195 WeakPolarHBondContact CA-OD2 3.32Å; I133-D195 VanDerWaalsContact CG2-OD2 3.28Å; I133-D195 WeakPolarHBondContact CG2-OD2 3.5Å
134H87.4Confident89.8Confident1 Ų135.7 Ų35.71%0.00517%0.17CC..  trans-72.2-47.4-173-170.4-70000112.5D136 L137 A154 F156 D195H134-D136 PolarHBondContact CE1-O 3Å; H134-D136 VanDerWaalsContact ND1-C 3.33Å; H134-D136 PolarHBondContact ND1-N 3.23Å; H134-D136 PolarHBondContact O-N 3.26Å; H134-L137 HydrophobicContact CB-CD1 4.43Å; H134-L137 HydrophobicContact CB-CD2 4.29Å; H134-L137 HydrophobicContact CB-CG 3.93Å; H134-L137 PolarHBondContact ND1-N 2.69Å; H134-A154 PolarHBondContact CE1-O 2.64Å; H134-A154 PolarHBondContact NE2-O 3.28Å; H134-F156 AromaticContact CD2-CD1 3.66Å; H134-F156 AromaticContact CD2-CE1 3.5Å; H134-F156 AromaticContact CD2-CZ 3.87Å; H134-D195 PolarHBondContact N-OD1 2.84Å; H134-D195 PolarHBondContact N-OD2 2.96Å
135R86.1Confident89.6Confident80 Ų8037.6 Ų37.630%0.30218%0.18SC..  trans67.1-17.8176.3-55.6-170.7-74.9176.91.7117.8I133 L158 Y190 D195I133-R135 HydrophobicContact CB-CG 4.21Å; I133-R135 HydrophobicContact CG2-CG 3.63Å; R135-L158 PolarHBondContact NH2-O 3.48Å; R135-Y190 PolarHBondContact NH1-OH 3.48Å; R135-D195 PolarHBondContact N-OD1 2.88Å
136D86Confident89.3Confident41 Ų4141.1 Ų41.122%0.21920%0.198CC..  trans-125.842.2176.8-168.132.4000111.9H134 K138 N141H134-D136 PolarHBondContact CE1-O 3Å; H134-D136 VanDerWaalsContact ND1-C 3.33Å; H134-D136 PolarHBondContact ND1-N 3.23Å; H134-D136 PolarHBondContact O-N 3.26Å; D136-K138 PolarHBondContact O-N 3.33Å; D136-K138 IonicContact OD1-NZ 3.48Å; D136-K138 PolarHBondContact OD1-NZ 3.13Å; D136-K138 IonicContact OD2-NZ 3.92Å; D136-K138 PolarHBondContact OD2-NZ 2.88Å; D136-N141 PolarHBondContact O-ND2 3.01Å; D136-N141 PolarHBondContact OD2-ND2 3.13Å
137L92.9Very high89Confident1 Ų144.3 Ų44.31%0.00523%0.234CC..  trans-69.8124.3175.4-77.7175.3000110.1L124 H134 L153 Y178 D195 M199 I202L124-L137 HydrophobicContact CD1-CD1 4.11Å; L124-L137 HydrophobicContact CD2-CD1 4.29Å; H134-L137 HydrophobicContact CB-CD1 4.43Å; H134-L137 HydrophobicContact CB-CD2 4.29Å; H134-L137 HydrophobicContact CB-CG 3.93Å; H134-L137 PolarHBondContact ND1-N 2.69Å; L137-L153 HydrophobicContact CD2-CD2 3.93Å; L137-Y178 WeakPolarHBondContact O-CB 3.47Å; L137-D195 HydrophobicContact CD1-CB 3.78Å; L137-M199 HydrophobicContact CD1-CE 3.93Å; L137-I202 HydrophobicContact CB-CD1 4.06Å
138K93.5Very high88.9Confident32 Ų3253.2 Ų53.214%0.13927%0.267CS..  trans-158.4160175.358.4-173.2173-132.30109.1D136 Q140 N141 Y178D136-K138 PolarHBondContact O-N 3.33Å; D136-K138 IonicContact OD1-NZ 3.48Å; D136-K138 PolarHBondContact OD1-NZ 3.13Å; D136-K138 IonicContact OD2-NZ 3.92Å; D136-K138 PolarHBondContact OD2-NZ 2.88Å; K138-Q140 HydrophobicContact CG-CB 4.3Å; K138-Q140 PolarHBondContact O-N 3.26Å; K138-Q140 VanDerWaalsContact O-N 3.09Å; K138-N141 WeakPolarHBondContact CE-ND2 3.28Å; K138-N141 HydrophobicContact CG-CB 4.06Å; K138-N141 WeakPolarHBondContact O-CA 3.43Å; K138-N141 PolarHBondContact O-N 2.87Å; K138-Y178 HydrophobicContact CB-CD2 3.42Å; K138-Y178 VanDerWaalsContact CB-CD2 3.42Å; K138-Y178 HydrophobicContact CB-CE2 3.41Å; K138-Y178 VanDerWaalsContact CB-CE2 3.41Å; K138-Y178 HydrophobicContact CB-CG 4.1Å
139P95.2Very high88.9Confident0 Ų057.6 Ų57.60%029%0.286CS..G310 helixtrans-55.2-30.1-179.5-27.736.5000114.1L95 K96 N141 I142 Y178 I202L95-P139 HydrophobicContact CB-CB 4.18Å; L95-P139 WeakPolarHBondContact CB-O 3.45Å; L95-P139 HydrophobicContact CD2-CB 4.36Å; L95-P139 HydrophobicContact CG-CB 4.26Å; L95-P139 PolarHBondContact N-O 3.17Å; K96-P139 HydrophobicContact CB-CB 3.92Å; K96-P139 PolarHBondContact N-O 3.24Å; P139-N141 PolarHBondContact O-N 3.43Å; P139-I142 PolarHBondContact O-N 2.86Å; P139-Y178 VanDerWaalsContact CD-CE1 3.46Å; P139-Y178 WeakPolarHBondContact CD-OH 3.39Å; P139-Y178 HydrophobicContact CG-CE1 4.11Å; P139-I202 HydrophobicContact CG-CG1 4.37Å
140Q92.3Very high89.3Confident70 Ų7056.3 Ų56.333%0.32727%0.265SS..G310 helixtrans-68.7-23.2175.7-6082.6-1.600113.5K96 K138K96-Q140 HydrophobicContact CB-CG 3.97Å; K96-Q140 HydrophobicContact CG-CG 4.38Å; K138-Q140 HydrophobicContact CG-CB 4.3Å; K138-Q140 PolarHBondContact O-N 3.26Å; K138-Q140 VanDerWaalsContact O-N 3.09Å
141N92.8Very high89.9Confident15 Ų1552.1 Ų52.18%0.0825%0.249CC..G310 helixtrans-98.913.3179.1-72.2-2.8000112D136 K138 P139 A154D136-N141 PolarHBondContact O-ND2 3.01Å; D136-N141 PolarHBondContact OD2-ND2 3.13Å; K138-N141 WeakPolarHBondContact CE-ND2 3.28Å; K138-N141 HydrophobicContact CG-CB 4.06Å; K138-N141 WeakPolarHBondContact O-CA 3.43Å; K138-N141 PolarHBondContact O-N 2.87Å; P139-N141 PolarHBondContact O-N 3.43Å; N141-A154 WeakPolarHBondContact O-CA 3.37Å; N141-A154 WeakPolarHBondContact O-CB 3.47Å; N141-A154 PolarHBondContact O-N 3.2Å
142I96Very high90.6Very high0 Ų042.6 Ų42.60%021%0.214CC..EExtended strand (participates in β ladder)trans-118.3115.7172.2-64.3155.6000107.1D94 L95 M120 P139 V151 K152 L153 I202D94-I142 CarbonylContact C-O 3.58Å; D94-I142 WeakPolarHBondContact CA-O 3.17Å; L95-I142 HydrophobicContact CB-CB 3.95Å; L95-I142 HydrophobicContact CB-CG2 4.04Å; L95-I142 HydrophobicContact CD2-CB 4.16Å; L95-I142 HydrophobicContact CD2-CD1 3.85Å; L95-I142 HydrophobicContact CD2-CG2 4.05Å; L95-I142 PolarHBondContact N-O 3.26Å; M120-I142 HydrophobicContact CG-CG2 4.37Å; M120-I142 HydrophobicContact SD-CD1 3.37Å; M120-I142 WeakPolarHBondContact SD-CD1 3.5Å; M120-I142 HydrophobicContact SD-CG1 4.08Å; M120-I142 HydrophobicContact SD-CG2 3.96Å; P139-I142 PolarHBondContact O-N 2.86Å; I142-V151 HydrophobicContact CG2-CB 4.06Å; I142-V151 HydrophobicContact CG2-CG1 4.45Å; I142-K152 CarbonylContact C-O 3.34Å; I142-K152 WeakPolarHBondContact CA-O 3.35Å; I142-L153 HydrophobicContact CG1-CD2 4.05Å; I142-I202 HydrophobicContact CD1-CD1 3.75Å; I142-I202 HydrophobicContact CD1-CG1 4.46Å; I142-I202 HydrophobicContact CD1-CG2 3.97Å
143L95.5Very high91.3Very high32 Ų3241.4 Ų41.417%0.16821%0.207CC..EExtended strand (participates in β ladder)trans-92145.7179.4-55.8-173.5000110.7V72 L91 L93 D94 V151 K152 A154V72-L143 HydrophobicContact CG2-CB 4.44Å; V72-L143 HydrophobicContact CG2-CD1 3.67Å; V72-L143 HydrophobicContact CG2-CG 4.16Å; L91-L143 HydrophobicContact CB-CB 3.82Å; L91-L143 HydrophobicContact CB-CD1 3.96Å; L91-L143 HydrophobicContact CB-CG 4.46Å; L91-L143 HydrophobicContact CD1-CB 4.43Å; L91-L143 HydrophobicContact CD1-CD1 4.14Å; L91-L143 HydrophobicContact CD2-CB 3.81Å; L91-L143 HydrophobicContact CG-CB 4.23Å; L93-L143 CarbonylContact O-C 3.56Å; L93-L143 WeakPolarHBondContact O-CA 3.36Å; D94-L143 HydrophobicContact CB-CD2 3.99Å; L143-V151 CarbonylContact O-C 3.48Å; L143-V151 VanDerWaalsContact O-CA 3.29Å; L143-V151 WeakPolarHBondContact O-CA 3.5Å; L143-K152 PolarHBondContact N-O 2.9Å; L143-K152 PolarHBondContact O-N 2.88Å; L143-A154 HydrophobicContact CD1-CB 4.06Å; L143-A154 HydrophobicContact CG-CB 3.86Å
144V94.5Very high91.6Very high0 Ų040.7 Ų40.70%021%0.205CC..EExtended strand (participates in β ladder)trans-123.1126.2-174.3-170.20000109.9L93 L95 Y98 F116 I146 I150 V151L93-V144 PolarHBondContact O-N 2.98Å; L95-V144 HydrophobicContact CB-CG2 4Å; L95-V144 HydrophobicContact CD1-CG2 4.14Å; Y98-V144 HydrophobicContact CD2-CG1 4.37Å; Y98-V144 HydrophobicContact CG-CG1 4.49Å; F116-V144 HydrophobicContact CE2-CG1 4.22Å; F116-V144 HydrophobicContact CZ-CG1 3.91Å; V144-I146 HydrophobicContact CG1-CG1 4.31Å; V144-I150 WeakPolarHBondContact CA-O 3.3Å; V144-V151 HydrophobicContact CG1-CG1 4.45Å; V144-V151 HydrophobicContact CG2-CG1 4.24Å
145D91.9Very high91.3Very high40 Ų4043.3 Ų43.321%0.21422%0.219CC..EExtended strand (participates in β ladder)trans-97.398.8161.7-178.1-25.2000107.6L91 G147 R148 K149 I150L91-D145 HydrophobicContact CD2-CB 4.26Å; D145-G147 VanDerWaalsContact C-N 3.3Å; D145-G147 PolarHBondContact O-N 2.8Å; D145-G147 PolarHBondContact OD1-N 3.11Å; D145-G147 VanDerWaalsContact OD1-N 3.12Å; D145-R148 HydrophobicContact CB-CB 4.43Å; D145-R148 PolarHBondContact O-N 2.88Å; D145-R148 PolarHBondContact OD1-N 2.99Å; D145-R148 VanDerWaalsContact OD2-CD 3.3Å; D145-R148 WeakPolarHBondContact OD2-CD 3.47Å; D145-R148 WeakPolarHBondContact OD2-CG 3.43Å; D145-R148 IonicContact OD2-NE 3.2Å; D145-R148 IonicContact OD2-NH1 3.44Å; D145-K149 VanDerWaalsContact O-CA 3.3Å; D145-K149 WeakPolarHBondContact O-CA 3.31Å; D145-K149 PolarHBondContact O-N 3.36Å; D145-I150 HydrophobicContact CB-CB 4.32Å; D145-I150 PolarHBondContact N-O 2.8Å; D145-I150 PolarHBondContact O-N 2.88Å; D145-I150 VanDerWaalsContact O-N 3.08Å
146I86.5Confident90.7Very high89 Ų8940.2 Ų40.246%0.45621%0.207SC..THydrogen-bonded Turntrans-61.2-42.2-177.5-60.8166.1000111L93 Y98 V144 R148 K149L93-I146 HydrophobicContact CD2-CD1 3.26Å; L93-I146 HydrophobicContact CD2-CG1 3.71Å; Y98-I146 HydrophobicContact CD2-CD1 4.15Å; Y98-I146 HydrophobicContact CD2-CG1 3.89Å; Y98-I146 HydrophobicContact CE2-CD1 4.38Å; Y98-I146 HydrophobicContact CE2-CG1 3.94Å; V144-I146 HydrophobicContact CG1-CG1 4.31Å; I146-R148 VanDerWaalsContact C-N 3.26Å; I146-R148 PolarHBondContact O-N 3.26Å; I146-K149 PolarHBondContact O-N 3.4Å
147G85.6Confident89.2Confident76 Ų7639.9 Ų39.978%0.78421%0.214SC*.THydrogen-bonded Turntrans-63.2-36.7-174.600000111.7D145D145-G147 VanDerWaalsContact C-N 3.3Å; D145-G147 PolarHBondContact O-N 2.8Å; D145-G147 PolarHBondContact OD1-N 3.11Å; D145-G147 VanDerWaalsContact OD1-N 3.12Å
148R86.8Confident87Confident186 Ų18641.7 Ų41.770%0.70222%0.223SC*.THydrogen-bonded Turntrans-96.6-6.3177.5-59.8-176.2-179.7152.8-3.9114.1D145 I146 I150D145-R148 HydrophobicContact CB-CB 4.43Å; D145-R148 PolarHBondContact O-N 2.88Å; D145-R148 PolarHBondContact OD1-N 2.99Å; D145-R148 VanDerWaalsContact OD2-CD 3.3Å; D145-R148 WeakPolarHBondContact OD2-CD 3.47Å; D145-R148 WeakPolarHBondContact OD2-CG 3.43Å; D145-R148 IonicContact OD2-NE 3.2Å; D145-R148 IonicContact OD2-NH1 3.44Å; I146-R148 VanDerWaalsContact C-N 3.26Å; I146-R148 PolarHBondContact O-N 3.26Å; R148-I150 HydrophobicContact CB-CB 4.43Å; R148-I150 HydrophobicContact CB-CD1 3.71Å; R148-I150 HydrophobicContact CB-CG1 3.8Å; R148-I150 PolarHBondContact O-N 2.85Å
149K89.2Confident84.7Confident120 Ų12041.3 Ų41.352%0.52223%0.226SC..THydrogen-bonded Turntrans53.140-171.2-56.5-177.9179-176.30112.6F116 Q119 D145 I146F116-K149 HydrophobicContact CE1-CB 4.45Å; Q119-K149 PolarHBondContact NE2-O 2.94Å; D145-K149 VanDerWaalsContact O-CA 3.3Å; D145-K149 WeakPolarHBondContact O-CA 3.31Å; D145-K149 PolarHBondContact O-N 3.36Å; I146-K149 PolarHBondContact O-N 3.4Å
150I92.5Very high82.3Confident31 Ų3147.8 Ų47.816%0.15925%0.25CS..EExtended strand (participates in β ladder)trans-103.4138.1179.6-64.2174.6000109.7V144 D145 R148 K152 P309V144-I150 WeakPolarHBondContact CA-O 3.3Å; D145-I150 HydrophobicContact CB-CB 4.32Å; D145-I150 PolarHBondContact N-O 2.8Å; D145-I150 PolarHBondContact O-N 2.88Å; D145-I150 VanDerWaalsContact O-N 3.08Å; R148-I150 HydrophobicContact CB-CB 4.43Å; R148-I150 HydrophobicContact CB-CD1 3.71Å; R148-I150 HydrophobicContact CB-CG1 3.8Å; R148-I150 PolarHBondContact O-N 2.85Å; I150-K152 HydrophobicContact CG2-CG 4.12Å; I150-P309 HydrophobicContact CD1-CG 3.9Å; I150-P309 HydrophobicContact CG1-CG 3.81Å; I150-P309 HydrophobicContact CG2-CG 4.31Å
151V96.5Very high79.5Confident1 Ų145.6 Ų45.61%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-114.2143.7169-640000111.1N70 F116 Q119 M120 I142 L143 V144N70-V151 WeakPolarHBondContact CA-O 3.35Å; N70-V151 WeakPolarHBondContact CB-O 3.19Å; N70-V151 PolarHBondContact ND2-O 2.88Å; F116-V151 HydrophobicContact CB-CG1 4.14Å; F116-V151 HydrophobicContact CB-CG2 4.39Å; F116-V151 HydrophobicContact CD1-CG1 3.59Å; F116-V151 HydrophobicContact CD2-CG1 3.73Å; F116-V151 HydrophobicContact CE1-CG1 3.79Å; F116-V151 HydrophobicContact CE2-CG1 3.92Å; F116-V151 HydrophobicContact CG-CG1 3.55Å; F116-V151 HydrophobicContact CZ-CG1 3.95Å; Q119-V151 HydrophobicContact CB-CG2 3.4Å; Q119-V151 HydrophobicContact CG-CG2 4.39Å; Q119-V151 VanDerWaalsContact OE1-N 3.13Å; M120-V151 HydrophobicContact CG-CB 4.47Å; M120-V151 HydrophobicContact CG-CG2 3.77Å; I142-V151 HydrophobicContact CG2-CB 4.06Å; I142-V151 HydrophobicContact CG2-CG1 4.45Å; L143-V151 CarbonylContact O-C 3.48Å; L143-V151 VanDerWaalsContact O-CA 3.29Å; L143-V151 WeakPolarHBondContact O-CA 3.5Å; V144-V151 HydrophobicContact CG1-CG1 4.45Å; V144-V151 HydrophobicContact CG2-CG1 4.24Å
152K96Very high76.6Confident29 Ų2951.9 Ų51.913%0.12627%0.271CS..EExtended strand (participates in β ladder)trans-133.2130-179.8-59.7-164.7174.5-150.60111.4P69 N70 V72 E89 L91 I142 L143 I150P69-K152 WeakPolarHBondContact O-CE 3.43Å; P69-K152 WeakPolarHBondContact O-CG 3.5Å; N70-K152 WeakPolarHBondContact O-CA 3.36Å; V72-K152 HydrophobicContact CG2-CB 3.7Å; V72-K152 HydrophobicContact CG2-CD 4.4Å; E89-K152 IonicContact OE1-NZ 2.77Å; E89-K152 PolarHBondContact OE1-NZ 2.83Å; E89-K152 IonicContact OE2-NZ 3.15Å; E89-K152 PolarHBondContact OE2-NZ 2.88Å; L91-K152 HydrophobicContact CD1-CD 4.21Å; L91-K152 HydrophobicContact CD2-CD 4.25Å; L91-K152 HydrophobicContact CD2-CG 4.35Å; I142-K152 CarbonylContact C-O 3.34Å; I142-K152 WeakPolarHBondContact CA-O 3.35Å; L143-K152 PolarHBondContact N-O 2.9Å; L143-K152 PolarHBondContact O-N 2.88Å; I150-K152 HydrophobicContact CG2-CG 4.12Å
153L95.2Very high73.7Confident1 Ų154.3 Ų54.31%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-67.8135.4169.9-55.7-174.9000109.5N70 V72 M120 L124 L137 I142 F156 M199N70-L153 PolarHBondContact O-N 2.79Å; V72-L153 WeakPolarHBondContact CG2-O 3.5Å; V72-L153 PolarHBondContact N-O 2.99Å; M120-L153 HydrophobicContact CB-CD2 4.35Å; M120-L153 HydrophobicContact CG-CD2 4.25Å; L124-L153 HydrophobicContact CB-CD1 4.2Å; L124-L153 HydrophobicContact CD1-CD1 4.44Å; L137-L153 HydrophobicContact CD2-CD2 3.93Å; I142-L153 HydrophobicContact CG1-CD2 4.05Å; L153-F156 HydrophobicContact CB-CE2 4.01Å; L153-F156 HydrophobicContact CB-CZ 3.71Å; L153-F156 HydrophobicContact CD1-CZ 4.4Å; L153-F156 WeakPolarHBondContact O-CE2 3.14Å; L153-M199 HydrophobicContact CD2-CE 4.47Å
154A91.1Very high71.1Confident10 Ų1056 Ų568%0.08331%0.305CS..  trans-136.3164.9-175.800000111.2V72 H134 N141 L143V72-A154 HydrophobicContact CB-CB 4.25Å; V72-A154 HydrophobicContact CG2-CB 3.59Å; H134-A154 PolarHBondContact CE1-O 2.64Å; H134-A154 PolarHBondContact NE2-O 3.28Å; N141-A154 WeakPolarHBondContact O-CA 3.37Å; N141-A154 WeakPolarHBondContact O-CB 3.47Å; N141-A154 PolarHBondContact O-N 3.2Å; L143-A154 HydrophobicContact CD1-CB 4.06Å; L143-A154 HydrophobicContact CG-CB 3.86Å
155D81.8Confident68.3Low55 Ų5559.8 Ų59.829%0.29433%0.329SS..  trans59.351.2178.7-148.8-6.8000115K41 G157K41-D155 IonicContact NZ-OD1 2.73Å; K41-D155 PolarHBondContact NZ-OD1 3.2Å; K41-D155 IonicContact NZ-OD2 3.85Å; K41-D155 PolarHBondContact NZ-OD2 3.11Å; D155-G157 PolarHBondContact O-N 3Å; D155-G157 PolarHBondContact OD1-N 3.02Å
156F72.7Confident65.9Low15 Ų1562 Ų627%0.06634%0.344CS..  trans-63.913.4163-63.9-90.9000113.4L63 L66 I71 C127 V132 H134 L153 L158 A159L63-F156 HydrophobicContact CD2-CB 3.84Å; L66-F156 HydrophobicContact CD1-CD1 4.1Å; L66-F156 HydrophobicContact CD1-CE1 4.35Å; L66-F156 HydrophobicContact CD1-CG 4.26Å; I71-F156 HydrophobicContact CD1-CZ 4.31Å; I71-F156 HydrophobicContact CG1-CZ 4.12Å; I71-F156 HydrophobicContact CG2-CD2 4.42Å; I71-F156 HydrophobicContact CG2-CE2 3.58Å; I71-F156 HydrophobicContact CG2-CZ 3.96Å; C127-F156 HydrophobicContact CB-CE1 4.41Å; C127-F156 WeakPolarHBondContact SG-CE1 3.36Å; V132-F156 HydrophobicContact CG1-CD1 4.04Å; V132-F156 HydrophobicContact CG1-CE1 4.46Å; H134-F156 AromaticContact CD2-CD1 3.66Å; H134-F156 AromaticContact CD2-CE1 3.5Å; H134-F156 AromaticContact CD2-CZ 3.87Å; L153-F156 HydrophobicContact CB-CE2 4.01Å; L153-F156 HydrophobicContact CB-CZ 3.71Å; L153-F156 HydrophobicContact CD1-CZ 4.4Å; L153-F156 WeakPolarHBondContact O-CE2 3.14Å; F156-L158 PolarHBondContact O-N 2.95Å; F156-A159 PolarHBondContact O-N 2.82Å
157G54.2Low63.6Low34 Ų3465.4 Ų65.435%0.35135%0.351SS..THydrogen-bonded Turntrans-6210.2-165.700000115.8D155D155-G157 PolarHBondContact O-N 3Å; D155-G157 PolarHBondContact OD1-N 3.02Å
158L47.4Very low61.3Low40 Ų4068.2 Ų68.221%0.20935%0.353CS..THydrogen-bonded Turntrans-134.5-3173.1-66.3171.3000113.8Y23 R135 F156 R160Y23-L158 HydrophobicContact CD1-CD2 3.9Å; Y23-L158 HydrophobicContact CD2-CD2 4.45Å; Y23-L158 HydrophobicContact CD2-CG 4.44Å; Y23-L158 HydrophobicContact CE1-CD1 4.36Å; Y23-L158 HydrophobicContact CE1-CD2 3.28Å; Y23-L158 HydrophobicContact CE1-CG 4.14Å; Y23-L158 HydrophobicContact CE2-CD1 3.6Å; Y23-L158 HydrophobicContact CE2-CD2 3.91Å; Y23-L158 HydrophobicContact CE2-CG 3.82Å; Y23-L158 HydrophobicContact CG-CD2 4.45Å; Y23-L158 VanDerWaalsContact CZ-CD1 3.46Å; Y23-L158 WeakPolarHBondContact OH-CD1 3.42Å; Y23-L158 WeakPolarHBondContact OH-CD2 3.46Å; R135-L158 PolarHBondContact NH2-O 3.48Å; F156-L158 PolarHBondContact O-N 2.95Å; L158-R160 VanDerWaalsContact C-N 3.3Å; L158-R160 PolarHBondContact O-N 3.21Å
159A45.3Very low58.8Low23 Ų2362 Ų6219%0.1933%0.333CS..SBendtrans-62.391-171.900000111.8V132 I133 F156 A161V132-A159 HydrophobicContact CG1-CB 3.55Å; I133-A159 WeakPolarHBondContact O-CB 3.42Å; F156-A159 PolarHBondContact O-N 2.82Å; A159-A161 PolarHBondContact O-N 3.39Å
160R43.6Very low56.4Low136 Ų13661.1 Ų61.151%0.51334%0.338SS..SBendtrans37.952.3177.1-112.5-175.1159.81350.5116.7L158 F162L158-R160 VanDerWaalsContact C-N 3.3Å; L158-R160 PolarHBondContact O-N 3.21Å; R160-F162 HydrophobicContact CG-CD2 4.48Å; R160-F162 HydrophobicContact CG-CE2 4.1Å; R160-F162 PolarHBondContact O-N 3.36Å
161A34.6Very low53.9Low25 Ų2565.6 Ų65.621%0.20736%0.358CS..  trans-76.491.9159.300000110.9E59 A159 G163 I164E59-A161 HydrophobicContact CB-CB 3.62Å; E59-A161 VanDerWaalsContact CD-C 3.46Å; E59-A161 HydrophobicContact CG-CB 4.23Å; E59-A161 WeakPolarHBondContact OE1-CA 3.36Å; E59-A161 WeakPolarHBondContact OE1-CB 3.46Å; E59-A161 VanDerWaalsContact OE2-C 3.26Å; E59-A161 WeakPolarHBondContact OE2-CA 3.21Å; A159-A161 PolarHBondContact O-N 3.39Å; A161-G163 PolarHBondContact O-N 3.04Å; A161-I164 HydrophobicContact CB-CD1 4.34Å
162F32.3Very low51.1Low147 Ų14774.2 Ų74.265%0.64540%0.398SS*.THydrogen-bonded Turntrans-61.298.3173.6-82.4-88.6000110.6E59 R160E59-F162 PolarHBondContact OE1-N 3.39Å; E59-F162 PolarHBondContact OE2-N 3.42Å; R160-F162 HydrophobicContact CG-CD2 4.48Å; R160-F162 HydrophobicContact CG-CE2 4.1Å; R160-F162 PolarHBondContact O-N 3.36Å
163G35.3Very low48.9Very low50 Ų5078.6 Ų78.652%0.51543%0.427SS..THydrogen-bonded Turntrans144.9-13.5170.200000115.1A161 P165A161-G163 PolarHBondContact O-N 3.04Å; G163-P165 WeakPolarHBondContact O-CD 3.43Å
164I39.4Very low47.5Very low68 Ų6880.4 Ų80.435%0.34944%0.438SS..SBendtrans-84.9118.8168-54.9177.4000106.6A56 A161 V166A56-I164 HydrophobicContact CB-CD1 4.04Å; A56-I164 HydrophobicContact CB-CG1 4.05Å; A161-I164 HydrophobicContact CB-CD1 4.34Å; I164-V166 PolarHBondContact O-N 3.08Å
165P36.2Very low46.7Very low80 Ų8082.9 Ų82.952%0.51945%0.452SS..  trans-54.1109.1171.9-21.933000107.6E46 G163 R167E46-P165 WeakPolarHBondContact OE2-CG 3.44Å; G163-P165 WeakPolarHBondContact O-CD 3.43Å; P165-R167 PolarHBondContact O-N 3.05Å
166V41Very low47.1Very low86 Ų8680.7 Ų80.752%0.52144%0.44SS..  trans-66.397.6163-177.60000102.3I164 V168I164-V166 PolarHBondContact O-N 3.08Å; V166-V168 PolarHBondContact O-N 2.93Å; V166-V168 VanDerWaalsContact O-N 3.11Å
167R38.4Very low48.2Very low160 Ų16083.3 Ų83.360%0.60445%0.45SS*.  trans-43.6129.7169.9-89.8-173.1174.2-162.4-6.9106.3E46 P165 L169E46-R167 VanDerWaalsContact OE1-CG 3.3Å; E46-R167 WeakPolarHBondContact OE1-CG 3.42Å; E46-R167 IonicContact OE1-CZ 2.83Å; E46-R167 IonicContact OE1-NE 3.43Å; E46-R167 PolarHBondContact OE1-NE 3.15Å; E46-R167 IonicContact OE1-NH2 2.98Å; P165-R167 PolarHBondContact O-N 3.05Å; R167-L169 PolarHBondContact O-N 2.7Å
168V38.2Very low50.2Low136 Ų13682.2 Ų82.282%0.82444%0.435SS*.  trans-57.796.1165.1-163.90000103.9V166 T170V166-V168 PolarHBondContact O-N 2.93Å; V166-V168 VanDerWaalsContact O-N 3.11Å; V168-T170 PolarHBondContact O-N 3.28Å; V168-T170 VanDerWaalsContact O-N 3.07Å
169L34.5Very low52.4Low55 Ų5583.6 Ų83.629%0.28844%0.438SS..  trans-62.8118.8-175.5-81.5155.3000104.7T22 R167 H171 V174T22-L169 HydrophobicContact CG2-CD2 3.8Å; R167-L169 PolarHBondContact O-N 2.7Å; L169-H171 PolarHBondContact O-N 2.68Å; L169-V174 HydrophobicContact CB-CG2 4.27Å; L169-V174 HydrophobicContact CD1-CG2 4.19Å; L169-V174 HydrophobicContact CD2-CG2 3.92Å; L169-V174 HydrophobicContact CG-CG2 4.35Å
170T37.7Very low54.8Low101 Ų10182.6 Ų82.662%0.6243%0.429SS*.  trans-51.7130.2173450000108V168 E172V168-T170 PolarHBondContact O-N 3.28Å; V168-T170 VanDerWaalsContact O-N 3.07Å; T170-E172 PolarHBondContact O-N 3.08Å
171H41Very low57.4Low126 Ų12676.1 Ų76.158%0.58341%0.405SS*.THydrogen-bonded Turntrans-58.1-8.6-165.1-73.2-93000115.2L169 E218L169-H171 PolarHBondContact O-N 2.68Å; H171-E218 IonicContact CE1-OE1 2.92Å; H171-E218 IonicContact CE1-OE2 2.75Å; H171-E218 PolarHBondContact CE1-OE2 3.2Å; H171-E218 VanDerWaalsContact CE1-OE2 3.25Å; H171-E218 IonicContact ND1-OE1 3.29Å; H171-E218 PolarHBondContact ND1-OE1 3.44Å; H171-E218 IonicContact ND1-OE2 3.52Å; H171-E218 PolarHBondContact ND1-OE2 3.01Å; H171-E218 VanDerWaalsContact ND1-OE2 3.12Å
172E37.9Very low60.2Low181 Ų18175 Ų7585%0.84640%0.396SS*.THydrogen-bonded Turntrans-96.4-18.9-167.9-69.3-177.815100115.9T170T170-E172 PolarHBondContact O-N 3.08Å
173V49.5Very low63.1Low122 Ų12270.7 Ų70.774%0.73938%0.378SS*.SBendtrans-1145.5-162.9-158.60000114.6
174V64.5Low65.8Low39 Ų3968.6 Ų68.624%0.23636%0.355CS..SBendtrans-118.8129.9-176.7-172.30000111L169 L176L169-V174 HydrophobicContact CB-CG2 4.27Å; L169-V174 HydrophobicContact CD1-CG2 4.19Å; L169-V174 HydrophobicContact CD2-CG2 3.92Å; L169-V174 HydrophobicContact CG-CG2 4.35Å; V174-L176 WeakPolarHBondContact O-CG 3.42Å; V174-L176 PolarHBondContact O-N 3.12Å; V174-L176 VanDerWaalsContact O-N 3.12Å
175T75Confident68.4Low61 Ų6165.3 Ų65.337%0.37434%0.339SS..  trans-58.8115.8176.2-51.50000111W177 Y178T175-W177 HydrophobicContact CG2-CB 3.92Å; T175-W177 HydrophobicContact CG2-CD2 3.71Å; T175-W177 HydrophobicContact CG2-CE3 4.13Å; T175-W177 HydrophobicContact CG2-CG 3.6Å; T175-Y178 HydrophobicContact CG2-CD2 4.44Å; T175-Y178 HydrophobicContact CG2-CE2 3.99Å
176L90.4Very high71Confident9 Ų962.4 Ų62.45%0.04732%0.323CS..  trans-88.2-6.3-178.3-58.9176.5000113.7V174 Y178 R179 E218 Q221V174-L176 WeakPolarHBondContact O-CG 3.42Å; V174-L176 PolarHBondContact O-N 3.12Å; V174-L176 VanDerWaalsContact O-N 3.12Å; L176-Y178 PolarHBondContact O-N 3.04Å; L176-R179 VanDerWaalsContact CD2-NH1 3.31Å; L176-R179 VanDerWaalsContact O-CB 3.26Å; L176-R179 WeakPolarHBondContact O-CB 3.46Å; L176-R179 PolarHBondContact O-N 3.19Å; L176-E218 HydrophobicContact CD1-CB 4.5Å; L176-E218 HydrophobicContact CD1-CG 3.83Å; L176-E218 HydrophobicContact CD2-CG 4.39Å; L176-Q221 HydrophobicContact CB-CB 4.34Å; L176-Q221 HydrophobicContact CB-CG 4.14Å; L176-Q221 PolarHBondContact O-NE2 3.39Å
177W96Very high73.2Confident70 Ų7059.1 Ų59.127%0.26531%0.305SS..THydrogen-bonded Turntrans-61.3-24.9-162.5-60.4-4.6000115.1T175 A211 F213 R214 G215 Q221T175-W177 HydrophobicContact CG2-CB 3.92Å; T175-W177 HydrophobicContact CG2-CD2 3.71Å; T175-W177 HydrophobicContact CG2-CE3 4.13Å; T175-W177 HydrophobicContact CG2-CG 3.6Å; W177-A211 HydrophobicContact CD2-CB 4.32Å; W177-A211 HydrophobicContact CE3-CB 3.43Å; W177-A211 VanDerWaalsContact CE3-CB 3.43Å; W177-A211 HydrophobicContact CZ3-CB 3.72Å; W177-F213 WeakPolarHBondContact CA-O 3.48Å; W177-F213 WeakPolarHBondContact CB-O 3.35Å; W177-R214 HydrophobicContact CD2-CB 4.44Å; W177-R214 HydrophobicContact CD2-CG 4.25Å; W177-R214 HydrophobicContact CE3-CG 4.32Å; W177-R214 HydrophobicContact CH2-CG 4.26Å; W177-R214 HydrophobicContact CZ2-CB 4.1Å; W177-R214 HydrophobicContact CZ2-CG 4.18Å; W177-R214 HydrophobicContact CZ3-CG 4.32Å; W177-G215 PolarHBondContact NE1-O 2.86Å; W177-Q221 PolarHBondContact O-NE2 3.32Å
178Y96.2Very high75.1Confident11 Ų1159.6 Ų59.64%0.04331%0.314CS..THydrogen-bonded Turntrans-107.33.1-177.8-43.3-82.9000112.5L137 K138 P139 T175 L176 S198 C201 I202 E205L137-Y178 WeakPolarHBondContact O-CB 3.47Å; K138-Y178 HydrophobicContact CB-CD2 3.42Å; K138-Y178 VanDerWaalsContact CB-CD2 3.42Å; K138-Y178 HydrophobicContact CB-CE2 3.41Å; K138-Y178 VanDerWaalsContact CB-CE2 3.41Å; K138-Y178 HydrophobicContact CB-CG 4.1Å; P139-Y178 VanDerWaalsContact CD-CE1 3.46Å; P139-Y178 WeakPolarHBondContact CD-OH 3.39Å; P139-Y178 HydrophobicContact CG-CE1 4.11Å; T175-Y178 HydrophobicContact CG2-CD2 4.44Å; T175-Y178 HydrophobicContact CG2-CE2 3.99Å; L176-Y178 PolarHBondContact O-N 3.04Å; Y178-S198 WeakPolarHBondContact O-CA 3.26Å; Y178-S198 WeakPolarHBondContact O-CB 3.5Å; Y178-S198 PolarHBondContact O-OG 2.85Å; Y178-C201 HydrophobicContact CD1-CB 3.78Å; Y178-I202 HydrophobicContact CD1-CG1 3.96Å; Y178-I202 HydrophobicContact CE1-CG1 4.12Å; Y178-E205 WeakPolarHBondContact CE1-OE2 3.25Å; Y178-E205 PolarHBondContact OH-OE2 3.3Å
179R94.4Very high77Confident69 Ų6964.1 Ų64.126%0.2632%0.316SS..  trans-75.8132.4-176.7-170.2174.7-74.71793.2110.4L176 I183 L184 W197 E218L176-R179 VanDerWaalsContact CD2-NH1 3.31Å; L176-R179 VanDerWaalsContact O-CB 3.26Å; L176-R179 WeakPolarHBondContact O-CB 3.46Å; L176-R179 PolarHBondContact O-N 3.19Å; R179-I183 HydrophobicContact CG-CB 3.92Å; R179-I183 HydrophobicContact CG-CG2 3.88Å; R179-L184 HydrophobicContact CB-CG 4.43Å; R179-L184 HydrophobicContact CG-CD2 4.21Å; R179-L184 HydrophobicContact CG-CG 4.03Å; R179-W197 PolarHBondContact O-NE1 2.87Å; R179-E218 IonicContact NH1-OE1 2.96Å; R179-E218 PolarHBondContact NH1-OE1 3.01Å
180A95.7Very high79.3Confident2 Ų265.3 Ų65.32%0.01732%0.318CS..  trans-69.4148-179.900000112.2E182 I183 L184 V194 W197A180-E182 VanDerWaalsContact C-N 3.28Å; A180-E182 HydrophobicContact CB-CG 4.38Å; A180-E182 WeakPolarHBondContact CB-OE2 3.28Å; A180-E182 PolarHBondContact O-N 3.34Å; A180-I183 HydrophobicContact CB-CG1 4.48Å; A180-I183 PolarHBondContact O-N 3.36Å; A180-I183 VanDerWaalsContact O-N 3.09Å; A180-L184 PolarHBondContact O-N 3.08Å; A180-V194 HydrophobicContact CB-CB 4.14Å; A180-V194 HydrophobicContact CB-CG1 4.18Å; A180-W197 VanDerWaalsContact CA-CD1 3.45Å; A180-W197 HydrophobicContact CB-CB 3.78Å; A180-W197 HydrophobicContact CB-CD2 4.43Å; A180-W197 HydrophobicContact CB-CG 3.77Å
181P96.8Very high81.5Confident0 Ų063.2 Ų63.20%031%0.307CS..Hα-helixtrans-62.2-33.3-176.125.3-34.7000112.6I183 L184 L185 W197 W237 Y283P181-I183 VanDerWaalsContact C-N 3.28Å; P181-I183 PolarHBondContact O-N 3.12Å; P181-L184 PolarHBondContact O-N 3.33Å; P181-L185 VanDerWaalsContact O-CB 3.32Å; P181-L185 WeakPolarHBondContact O-CB 3.49Å; P181-L185 VanDerWaalsContact O-CG 3.27Å; P181-L185 WeakPolarHBondContact O-CG 3.37Å; P181-L185 PolarHBondContact O-N 3.09Å; P181-W197 VanDerWaalsContact CD-CD2 3.47Å; P181-W197 HydrophobicContact CG-CD2 4.46Å; P181-W197 HydrophobicContact CG-CE3 4.11Å; P181-W197 HydrophobicContact CG-CH2 3.89Å; P181-W197 HydrophobicContact CG-CZ2 4.28Å; P181-W197 HydrophobicContact CG-CZ3 3.8Å; P181-W237 HydrophobicContact CB-CZ3 4.25Å; P181-W237 HydrophobicContact CG-CZ3 4.39Å; P181-Y283 HydrophobicContact CB-CD1 4.21Å; P181-Y283 HydrophobicContact CB-CE1 4.27Å; P181-Y283 HydrophobicContact CG-CD1 3.91Å; P181-Y283 HydrophobicContact CG-CE1 4.29Å
182E94.2Very high83.9Confident3 Ų359.2 Ų59.21%0.01429%0.293CS..Hα-helixtrans-63.3-32.3175.962.9-89.5-15200113.4A180 G186 A187 V194 W237 P285 R288A180-E182 VanDerWaalsContact C-N 3.28Å; A180-E182 HydrophobicContact CB-CG 4.38Å; A180-E182 WeakPolarHBondContact CB-OE2 3.28Å; A180-E182 PolarHBondContact O-N 3.34Å; E182-G186 PolarHBondContact O-N 3.42Å; E182-A187 HydrophobicContact CB-CB 4.02Å; E182-A187 WeakPolarHBondContact O-CB 3.46Å; E182-A187 PolarHBondContact O-N 3Å; E182-V194 HydrophobicContact CG-CG1 4.25Å; E182-V194 WeakPolarHBondContact OE1-CG1 3.45Å; E182-W237 HydrophobicContact CB-CH2 3.71Å; E182-W237 HydrophobicContact CB-CZ2 3.93Å; E182-P285 HydrophobicContact CB-CG 4.09Å; E182-P285 HydrophobicContact CG-CG 3.96Å; E182-R288 IonicContact OE1-CZ 2.89Å; E182-R288 IonicContact OE1-NH1 3.88Å; E182-R288 PolarHBondContact OE1-NH1 3.43Å; E182-R288 IonicContact OE1-NH2 2.6Å; E182-R288 PolarHBondContact OE1-NH2 3.3Å; E182-R288 IonicContact OE2-CZ 2.94Å; E182-R288 IonicContact OE2-NH1 3.81Å; E182-R288 IonicContact OE2-NH2 3.8Å; E182-R288 PolarHBondContact OE2-NH2 3.25Å
183I92.1Very high86.5Confident55 Ų5551 Ų5128%0.28226%0.256SS..Hα-helixtrans-72.8-44.6175.1-58.6-59.7000109.8R179 A180 P181 L185 G186 Y190 V194R179-I183 HydrophobicContact CG-CB 3.92Å; R179-I183 HydrophobicContact CG-CG2 3.88Å; A180-I183 HydrophobicContact CB-CG1 4.48Å; A180-I183 PolarHBondContact O-N 3.36Å; A180-I183 VanDerWaalsContact O-N 3.09Å; P181-I183 VanDerWaalsContact C-N 3.28Å; P181-I183 PolarHBondContact O-N 3.12Å; I183-L185 PolarHBondContact O-N 2.67Å; I183-G186 PolarHBondContact O-N 3.12Å; I183-G186 VanDerWaalsContact O-N 3.14Å; I183-Y190 HydrophobicContact CD1-CD1 3.44Å; I183-Y190 VanDerWaalsContact CD1-CD1 3.44Å; I183-Y190 HydrophobicContact CD1-CD2 4.43Å; I183-Y190 HydrophobicContact CD1-CE1 4.15Å; I183-Y190 HydrophobicContact CD1-CG 3.61Å; I183-V194 HydrophobicContact CD1-CG1 4.01Å; I183-V194 HydrophobicContact CG1-CG1 3.93Å
184L93.3Very high88.6Confident6 Ų645.6 Ų45.63%0.03122%0.223CC..Hα-helixtrans-64.6-29.1177.9-68.1166.5000112.7R179 A180 P181 G186 E218 Q221 L222 I225R179-L184 HydrophobicContact CB-CG 4.43Å; R179-L184 HydrophobicContact CG-CD2 4.21Å; R179-L184 HydrophobicContact CG-CG 4.03Å; A180-L184 PolarHBondContact O-N 3.08Å; P181-L184 PolarHBondContact O-N 3.33Å; L184-G186 VanDerWaalsContact C-N 3.3Å; L184-E218 HydrophobicContact CD2-CB 3.97Å; L184-E218 HydrophobicContact CD2-CG 3.95Å; L184-Q221 HydrophobicContact CD1-CB 4.18Å; L184-Q221 HydrophobicContact CD1-CG 3.53Å; L184-Q221 HydrophobicContact CD2-CG 4.39Å; L184-L222 HydrophobicContact CB-CD1 4.23Å; L184-L222 HydrophobicContact CB-CD2 3.64Å; L184-L222 HydrophobicContact CB-CG 3.85Å; L184-L222 HydrophobicContact CD1-CD2 3.99Å; L184-L222 HydrophobicContact CD1-CG 4.18Å; L184-L222 HydrophobicContact CG-CD2 4.47Å; L184-I225 HydrophobicContact CD1-CD1 3.91Å
185L94.4Very high90Very high0 Ų043.8 Ų43.80%021%0.212CC..THydrogen-bonded Turntrans-87.54.1177.2-68.7171.2000113.3P181 I183 L222 W237 V240 L243 E245 Y246 F251P181-L185 VanDerWaalsContact O-CB 3.32Å; P181-L185 WeakPolarHBondContact O-CB 3.49Å; P181-L185 VanDerWaalsContact O-CG 3.27Å; P181-L185 WeakPolarHBondContact O-CG 3.37Å; P181-L185 PolarHBondContact O-N 3.09Å; I183-L185 PolarHBondContact O-N 2.67Å; L185-L222 HydrophobicContact CD2-CD1 3.87Å; L185-L222 HydrophobicContact CD2-CD2 4.15Å; L185-L222 HydrophobicContact CG-CD1 4.47Å; L185-L222 HydrophobicContact CG-CD2 4.03Å; L185-W237 HydrophobicContact CD1-CH2 4Å; L185-W237 HydrophobicContact CD1-CZ3 3.68Å; L185-V240 HydrophobicContact CD1-CG2 4.08Å; L185-L243 HydrophobicContact CB-CB 4.07Å; L185-L243 HydrophobicContact CB-CD1 3.67Å; L185-L243 HydrophobicContact CB-CG 4.48Å; L185-L243 HydrophobicContact CD1-CD1 3.83Å; L185-L243 HydrophobicContact CG-CD1 4.4Å; L185-E245 PolarHBondContact O-N 2.64Å; L185-Y246 HydrophobicContact CD1-CD2 4.36Å; L185-Y246 HydrophobicContact CD2-CD2 4.12Å; L185-F251 HydrophobicContact CD2-CE2 4.05Å; L185-F251 HydrophobicContact CD2-CZ 4.3Å
186G89.7Confident91.2Very high18 Ų1841 Ų4119%0.18620%0.195CC..THydrogen-bonded Turntrans80.323.8173.400000115.1E182 I183 L184 Q188 P244E182-G186 PolarHBondContact O-N 3.42Å; I183-G186 PolarHBondContact O-N 3.12Å; I183-G186 VanDerWaalsContact O-N 3.14Å; L184-G186 VanDerWaalsContact C-N 3.3Å; G186-Q188 PolarHBondContact O-N 3.34Å; G186-P244 WeakPolarHBondContact O-CD 3.37Å; G186-P244 WeakPolarHBondContact O-CG 3.46Å
187A87.4Confident91.5Very high18 Ų1840.5 Ų40.515%0.14919%0.193CC..  trans-58.6124.2176.600000111.2E182 R189 L243E182-A187 HydrophobicContact CB-CB 4.02Å; E182-A187 WeakPolarHBondContact O-CB 3.46Å; E182-A187 PolarHBondContact O-N 3Å; A187-R189 PolarHBondContact O-N 3.27Å; A187-L243 HydrophobicContact CB-CD2 3.82Å
188Q78.9Confident91.6Very high169 Ų16937.5 Ų37.579%0.7918%0.182SC*.SBendtrans-70.6-22.5-179.3-64.6-62-44.500113.1G186G186-Q188 PolarHBondContact O-N 3.34Å
189R77.8Confident91.7Very high232 Ų23237 Ų3788%0.87518%0.18SC*.  trans-124.7130.3179.5-61.8-177.7-177.8-1711.3108.7A187A187-R189 PolarHBondContact O-N 3.27Å
190Y81.6Confident91.9Very high79 Ų7933.7 Ų33.731%0.3117%0.168SC..  trans-137.4160.9173.653.5-97.2000109.7R135 I183 V194R135-Y190 PolarHBondContact NH1-OH 3.48Å; I183-Y190 HydrophobicContact CD1-CD1 3.44Å; I183-Y190 VanDerWaalsContact CD1-CD1 3.44Å; I183-Y190 HydrophobicContact CD1-CD2 4.43Å; I183-Y190 HydrophobicContact CD1-CE1 4.15Å; I183-Y190 HydrophobicContact CD1-CG 3.61Å; Y190-V194 HydrophobicContact CG-CG1 4.41Å
191S84.6Confident92.1Very high58 Ų5833.7 Ų33.741%0.40617%0.167SC..  trans-131.8-170.3-174.6710000110.3A193 V194S191-A193 PolarHBondContact O-N 2.93Å; S191-A193 PolarHBondContact OG-N 3.36Å; S191-V194 WeakPolarHBondContact O-CG2 3.5Å; S191-V194 PolarHBondContact O-N 3.37Å
192C90.7Very high92.1Very high42 Ų4233.7 Ų33.728%0.28417%0.167SC..THydrogen-bonded Turntrans-48.3-24.2171.1-64.30000114.9H128 V194 D195 I196H128-C192 VanDerWaalsContact CE1-CB 3.47Å; H128-C192 WeakPolarHBondContact CE1-CB 3.02Å; H128-C192 PolarHBondContact CE1-O 3.21Å; H128-C192 VanDerWaalsContact CG-SG 3.54Å; H128-C192 WeakPolarHBondContact ND1-CB 3.47Å; C192-V194 PolarHBondContact O-N 3.08Å; C192-V194 VanDerWaalsContact O-N 3.16Å; C192-D195 PolarHBondContact O-N 3.15Å; C192-D195 VanDerWaalsContact O-N 3.11Å; C192-I196 PolarHBondContact O-N 2.86Å
193A93.7Very high92.4Very high9 Ų933.5 Ų33.57%0.07417%0.167CC..Hα-helixtrans-58.2-28.7-179.100000113.1S191 D195 I196 W197 P285 R288S191-A193 PolarHBondContact O-N 2.93Å; S191-A193 PolarHBondContact OG-N 3.36Å; A193-D195 VanDerWaalsContact C-N 3.28Å; A193-D195 PolarHBondContact O-N 2.81Å; A193-I196 PolarHBondContact O-N 2.83Å; A193-W197 PolarHBondContact O-N 3.29Å; A193-P285 HydrophobicContact CB-CB 3.86Å; A193-P285 WeakPolarHBondContact CB-O 3.49Å; A193-R288 WeakPolarHBondContact O-CD 3.46Å; A193-R288 PolarHBondContact O-NH1 3.13Å
194V93.7Very high92.6Very high8 Ų831 Ų315%0.04815%0.154CC..Hα-helixtrans-63.3-37.7178.8-57.30000111.7I133 A180 E182 I183 Y190 S191 C192 I196 W197 S198I133-V194 HydrophobicContact CG2-CG2 3.74Å; A180-V194 HydrophobicContact CB-CB 4.14Å; A180-V194 HydrophobicContact CB-CG1 4.18Å; E182-V194 HydrophobicContact CG-CG1 4.25Å; E182-V194 WeakPolarHBondContact OE1-CG1 3.45Å; I183-V194 HydrophobicContact CD1-CG1 4.01Å; I183-V194 HydrophobicContact CG1-CG1 3.93Å; Y190-V194 HydrophobicContact CG-CG1 4.41Å; S191-V194 WeakPolarHBondContact O-CG2 3.5Å; S191-V194 PolarHBondContact O-N 3.37Å; C192-V194 PolarHBondContact O-N 3.08Å; C192-V194 VanDerWaalsContact O-N 3.16Å; V194-I196 VanDerWaalsContact C-N 3.35Å; V194-W197 PolarHBondContact O-N 2.83Å; V194-S198 PolarHBondContact O-N 3.43Å; V194-S198 PolarHBondContact O-OG 2.87Å
195D94.4Very high92.8Very high0 Ų030.7 Ų30.70%015%0.152CC..Hα-helixtrans-70.9-34.8177.6-67.5-24.4000111.1L124 H128 I133 H134 R135 L137 C192 A193 W197 S198 M199L124-D195 HydrophobicContact CD1-CB 3.76Å; L124-D195 HydrophobicContact CD2-CB 3.84Å; L124-D195 HydrophobicContact CG-CB 4.33Å; H128-D195 IonicContact CD2-OD2 3.54Å; H128-D195 IonicContact CE1-OD2 3Å; H128-D195 IonicContact NE2-OD2 3.54Å; H128-D195 PolarHBondContact NE2-OD2 2.89Å; I133-D195 WeakPolarHBondContact CA-OD2 3.32Å; I133-D195 VanDerWaalsContact CG2-OD2 3.28Å; I133-D195 WeakPolarHBondContact CG2-OD2 3.5Å; H134-D195 PolarHBondContact N-OD1 2.84Å; H134-D195 PolarHBondContact N-OD2 2.96Å; R135-D195 PolarHBondContact N-OD1 2.88Å; L137-D195 HydrophobicContact CD1-CB 3.78Å; C192-D195 PolarHBondContact O-N 3.15Å; C192-D195 VanDerWaalsContact O-N 3.11Å; A193-D195 VanDerWaalsContact C-N 3.28Å; A193-D195 PolarHBondContact O-N 2.81Å; D195-W197 VanDerWaalsContact C-N 3.33Å; D195-S198 PolarHBondContact O-N 3.47Å; D195-M199 WeakPolarHBondContact O-CB 3.33Å; D195-M199 PolarHBondContact O-N 2.84Å
196I98.5Very high92.9Very high2 Ų230.7 Ų30.71%0.0115%0.152CC..Hα-helixtrans-64.4-40.8175.6-58.9-63.3000110.9L124 C192 A193 V194 M199 G200 M280 R288 I289 A291L124-I196 HydrophobicContact CD2-CD1 3.83Å; C192-I196 PolarHBondContact O-N 2.86Å; A193-I196 PolarHBondContact O-N 2.83Å; V194-I196 VanDerWaalsContact C-N 3.35Å; I196-M199 WeakPolarHBondContact O-CB 3.4Å; I196-M199 PolarHBondContact O-N 3.37Å; I196-G200 PolarHBondContact O-N 2.92Å; I196-M280 HydrophobicContact CG2-CB 4.03Å; I196-M280 HydrophobicContact CG2-CG 3.93Å; I196-R288 HydrophobicContact CB-CG 4.4Å; I196-R288 HydrophobicContact CG2-CG 3.93Å; I196-I289 WeakPolarHBondContact CG1-O 3.49Å; I196-I289 HydrophobicContact CG2-CG2 4.02Å; I196-I289 WeakPolarHBondContact CG2-O 3.15Å; I196-A291 HydrophobicContact CD1-CB 3.91Å
197W98.6Very high93.1Very high0 Ų030.2 Ų30.20%015%0.146CC..Hα-helixtrans-59.3-50.1174.1177.9-82.4000111.1R179 A180 P181 A193 V194 D195 M199 G200 C201 F213 I225 L229 L281R179-W197 PolarHBondContact O-NE1 2.87Å; A180-W197 VanDerWaalsContact CA-CD1 3.45Å; A180-W197 HydrophobicContact CB-CB 3.78Å; A180-W197 HydrophobicContact CB-CD2 4.43Å; A180-W197 HydrophobicContact CB-CG 3.77Å; P181-W197 VanDerWaalsContact CD-CD2 3.47Å; P181-W197 HydrophobicContact CG-CD2 4.46Å; P181-W197 HydrophobicContact CG-CE3 4.11Å; P181-W197 HydrophobicContact CG-CH2 3.89Å; P181-W197 HydrophobicContact CG-CZ2 4.28Å; P181-W197 HydrophobicContact CG-CZ3 3.8Å; A193-W197 PolarHBondContact O-N 3.29Å; V194-W197 PolarHBondContact O-N 2.83Å; D195-W197 VanDerWaalsContact C-N 3.33Å; W197-M199 PolarHBondContact O-N 2.87Å; W197-G200 PolarHBondContact O-N 3.39Å; W197-G200 VanDerWaalsContact O-N 3.07Å; W197-C201 PolarHBondContact O-N 2.94Å; W197-F213 HydrophobicContact CZ2-CD2 4.39Å; W197-F213 AromaticContact CZ2-CE2 3.72Å; W197-F213 HydrophobicContact CZ2-CE2 3.72Å; W197-F213 HydrophobicContact CZ2-CZ 4.3Å; W197-I225 HydrophobicContact CH2-CG2 3.72Å; W197-I225 HydrophobicContact CZ2-CD1 3.84Å; W197-I225 HydrophobicContact CZ2-CG1 4.01Å; W197-I225 HydrophobicContact CZ2-CG2 3.85Å; W197-L229 HydrophobicContact CH2-CD1 3.57Å; W197-L229 HydrophobicContact CZ2-CD1 4.49Å; W197-L229 HydrophobicContact CZ3-CD1 4.18Å; W197-L281 HydrophobicContact CD2-CD2 3.94Å; W197-L281 HydrophobicContact CE3-CD2 3.99Å; W197-L281 HydrophobicContact CH2-CD2 4.34Å; W197-L281 HydrophobicContact CZ2-CD2 4.27Å; W197-L281 HydrophobicContact CZ3-CB 4.25Å; W197-L281 HydrophobicContact CZ3-CD2 4.2Å; W197-L281 WeakPolarHBondContact CZ3-O 3.24Å
198S97.5Very high93.5Very high7 Ų730 Ų305%0.04914%0.143CC..Hα-helixtrans-57.5-40.9176.6-55.30000111.5Y178 V194 D195 G200 C201 I202Y178-S198 WeakPolarHBondContact O-CA 3.26Å; Y178-S198 WeakPolarHBondContact O-CB 3.5Å; Y178-S198 PolarHBondContact O-OG 2.85Å; V194-S198 PolarHBondContact O-N 3.43Å; V194-S198 PolarHBondContact O-OG 2.87Å; D195-S198 PolarHBondContact O-N 3.47Å; S198-G200 PolarHBondContact O-N 2.88Å; S198-C201 WeakPolarHBondContact O-CB 3.3Å; S198-C201 PolarHBondContact O-N 2.87Å; S198-I202 WeakPolarHBondContact O-CD1 3.09Å; S198-I202 VanDerWaalsContact O-CG1 3.31Å; S198-I202 WeakPolarHBondContact O-CG1 3.23Å; S198-I202 PolarHBondContact O-N 2.82Å
199M98.5Very high94.1Very high0 Ų023.2 Ų23.20%011%0.111CC..Hα-helixtrans-62.9-38.8175.8-164.661.373.400112.2M117 M120 L121 L124 L137 L153 D195 I196 W197 I202 F203M117-M199 HydrophobicContact CE-CG 3.69Å; M117-M199 HydrophobicContact CE-SD 3.87Å; M120-M199 HydrophobicContact CB-CE 3.66Å; M120-M199 HydrophobicContact CB-SD 3.65Å; M120-M199 HydrophobicContact CE-SD 4.16Å; M120-M199 HydrophobicContact CG-SD 4.43Å; M120-M199 HydrophobicContact SD-SD 4.05Å; L121-M199 HydrophobicContact CD2-CG 4.07Å; L124-M199 HydrophobicContact CB-CE 4.39Å; L124-M199 HydrophobicContact CD2-CE 3.95Å; L137-M199 HydrophobicContact CD1-CE 3.93Å; L153-M199 HydrophobicContact CD2-CE 4.47Å; D195-M199 WeakPolarHBondContact O-CB 3.33Å; D195-M199 PolarHBondContact O-N 2.84Å; I196-M199 WeakPolarHBondContact O-CB 3.4Å; I196-M199 PolarHBondContact O-N 3.37Å; W197-M199 PolarHBondContact O-N 2.87Å; M199-I202 PolarHBondContact O-N 2.68Å; M199-F203 WeakPolarHBondContact O-CB 3.16Å; M199-F203 PolarHBondContact O-N 2.98Å
200G98.7Very high94.8Very high0 Ų017 Ų170%09%0.092CC..Hα-helixtrans-62.7-43.7172.600000112.6I196 W197 S198 I202 F203 S204 L277I196-G200 PolarHBondContact O-N 2.92Å; W197-G200 PolarHBondContact O-N 3.39Å; W197-G200 VanDerWaalsContact O-N 3.07Å; S198-G200 PolarHBondContact O-N 2.88Å; G200-I202 VanDerWaalsContact C-N 3.33Å; G200-I202 PolarHBondContact O-N 2.6Å; G200-F203 WeakPolarHBondContact O-CB 3.37Å; G200-F203 PolarHBondContact O-N 2.79Å; G200-S204 PolarHBondContact O-N 2.57Å; G200-L277 WeakPolarHBondContact O-CD1 3.44Å
201C98.7Very high95.4Very high1 Ų113.6 Ų13.61%0.0078%0.08CC..Hα-helixtrans-59.7-43.8173.1-66.90000111.9Y178 W197 S198 S204 E205Y178-C201 HydrophobicContact CD1-CB 3.78Å; W197-C201 PolarHBondContact O-N 2.94Å; S198-C201 WeakPolarHBondContact O-CB 3.3Å; S198-C201 PolarHBondContact O-N 2.87Å; C201-S204 PolarHBondContact O-N 3.14Å; C201-E205 PolarHBondContact O-N 2.84Å
202I98.3Very high96.1Very high0 Ų012.2 Ų12.20%07%0.068CC..Hα-helixtrans-65.4-40.8177-67.8156.7000110.7L95 M120 L137 P139 I142 Y178 S198 M199 G200 S204 E205 V206L95-I202 HydrophobicContact CD2-CG2 4Å; M120-I202 HydrophobicContact CE-CG2 4.08Å; M120-I202 HydrophobicContact SD-CG2 4.17Å; L137-I202 HydrophobicContact CB-CD1 4.06Å; P139-I202 HydrophobicContact CG-CG1 4.37Å; I142-I202 HydrophobicContact CD1-CD1 3.75Å; I142-I202 HydrophobicContact CD1-CG1 4.46Å; I142-I202 HydrophobicContact CD1-CG2 3.97Å; Y178-I202 HydrophobicContact CD1-CG1 3.96Å; Y178-I202 HydrophobicContact CE1-CG1 4.12Å; S198-I202 WeakPolarHBondContact O-CD1 3.09Å; S198-I202 VanDerWaalsContact O-CG1 3.31Å; S198-I202 WeakPolarHBondContact O-CG1 3.23Å; S198-I202 PolarHBondContact O-N 2.82Å; M199-I202 PolarHBondContact O-N 2.68Å; G200-I202 VanDerWaalsContact C-N 3.33Å; G200-I202 PolarHBondContact O-N 2.6Å; I202-S204 VanDerWaalsContact C-N 3.32Å; I202-S204 PolarHBondContact O-N 2.94Å; I202-E205 PolarHBondContact O-N 2.89Å; I202-E205 VanDerWaalsContact O-N 3.12Å; I202-V206 HydrophobicContact CG2-CG2 3.96Å; I202-V206 WeakPolarHBondContact O-CB 3.28Å; I202-V206 VanDerWaalsContact O-CG2 3.26Å; I202-V206 WeakPolarHBondContact O-CG2 3.46Å; I202-V206 PolarHBondContact O-N 3.3Å
203F98.6Very high96.4Very high0 Ų010.3 Ų10.30%06%0.055CC..Hα-helixtrans-58.7-46.4177.2-173.2-165.4000111.4V113 M117 M199 G200 S207 F269 G273 L276 L277 M280 Y299V113-F203 HydrophobicContact CG1-CD2 4.14Å; V113-F203 HydrophobicContact CG1-CE2 3.85Å; M117-F203 HydrophobicContact CE-CB 3.54Å; M117-F203 HydrophobicContact CE-CD1 4.38Å; M117-F203 HydrophobicContact CE-CD2 4.3Å; M117-F203 HydrophobicContact CE-CG 3.84Å; M117-F203 HydrophobicContact CG-CB 4.35Å; M117-F203 HydrophobicContact CG-CD2 3.34Å; M117-F203 HydrophobicContact CG-CE2 3.71Å; M117-F203 HydrophobicContact CG-CG 3.88Å; M117-F203 HydrophobicContact CG-CZ 4.49Å; M117-F203 VanDerWaalsContact SD-CA 3.51Å; M117-F203 HydrophobicContact SD-CB 3.54Å; M117-F203 VanDerWaalsContact SD-CB 3.54Å; M117-F203 HydrophobicContact SD-CD2 3.66Å; M117-F203 HydrophobicContact SD-CG 3.75Å; M199-F203 WeakPolarHBondContact O-CB 3.16Å; M199-F203 PolarHBondContact O-N 2.98Å; G200-F203 WeakPolarHBondContact O-CB 3.37Å; G200-F203 PolarHBondContact O-N 2.79Å; F203-S207 WeakPolarHBondContact O-CB 3.46Å; F203-S207 PolarHBondContact O-N 3.47Å; F203-S207 VanDerWaalsContact O-N 3.12Å; F203-S207 PolarHBondContact O-OG 2.96Å; F203-F269 AromaticContact CD1-CE1 3.92Å; F203-F269 HydrophobicContact CD1-CE1 3.92Å; F203-F269 AromaticContact CD2-CE1 3.84Å; F203-F269 HydrophobicContact CD2-CE1 3.84Å; F203-F269 HydrophobicContact CD2-CZ 4.11Å; F203-F269 HydrophobicContact CE1-CD1 4.35Å; F203-F269 AromaticContact CE1-CE1 3.61Å; F203-F269 HydrophobicContact CE1-CE1 3.61Å; F203-F269 HydrophobicContact CE2-CD1 4.35Å; F203-F269 AromaticContact CE2-CE1 3.51Å; F203-F269 HydrophobicContact CE2-CE1 3.51Å; F203-F269 HydrophobicContact CE2-CZ 4.17Å; F203-F269 HydrophobicContact CG-CE1 4.04Å; F203-F269 HydrophobicContact CG-CZ 4.28Å; F203-F269 HydrophobicContact CZ-CD1 4.01Å; F203-F269 AromaticContact CZ-CE1 3.4Å; F203-F269 HydrophobicContact CZ-CE1 3.4Å; F203-F269 VanDerWaalsContact CZ-CE1 3.4Å; F203-F269 HydrophobicContact CZ-CZ 4.43Å; F203-G273 WeakPolarHBondContact CE1-O 2.97Å; F203-L276 HydrophobicContact CE1-CB 4.23Å; F203-L276 HydrophobicContact CE1-CD2 3.98Å; F203-L276 HydrophobicContact CE1-CG 4.12Å; F203-L277 HydrophobicContact CB-CD1 4.34Å; F203-L277 HydrophobicContact CD1-CB 4.19Å; F203-L277 HydrophobicContact CD1-CD1 4.22Å; F203-L277 HydrophobicContact CE1-CB 4.35Å; F203-M280 HydrophobicContact CD1-SD 4.25Å; F203-Y299 HydrophobicContact CE1-CE1 4.41Å; F203-Y299 AromaticContact CE2-CE1 3.99Å; F203-Y299 HydrophobicContact CE2-CE1 3.99Å; F203-Y299 AromaticContact CE2-CZ 3.98Å; F203-Y299 HydrophobicContact CZ-CD1 4.09Å; F203-Y299 AromaticContact CZ-CE1 3.48Å; F203-Y299 HydrophobicContact CZ-CE1 3.48Å; F203-Y299 VanDerWaalsContact CZ-CE1 3.48Å; F203-Y299 HydrophobicContact CZ-CE2 4.27Å; F203-Y299 AromaticContact CZ-CZ 3.59Å
204S97.9Very high96.4Very high1 Ų115 Ų151%0.0077%0.071CC..Hα-helixtrans-57-51.1171.9-179.10000111.3G200 C201 I202 V206 S207 T208 I265G200-S204 PolarHBondContact O-N 2.57Å; C201-S204 PolarHBondContact O-N 3.14Å; I202-S204 VanDerWaalsContact C-N 3.32Å; I202-S204 PolarHBondContact O-N 2.94Å; S204-V206 PolarHBondContact O-N 2.71Å; S204-S207 PolarHBondContact O-N 3.12Å; S204-S207 VanDerWaalsContact O-N 3.14Å; S204-T208 WeakPolarHBondContact O-CG2 3.46Å; S204-T208 PolarHBondContact O-N 3.04Å; S204-T208 PolarHBondContact O-OG1 2.86Å; S204-I265 VanDerWaalsContact OG-CD1 3.24Å; S204-I265 WeakPolarHBondContact OG-CD1 3.4Å
205E96.7Very high96.5Very high1 Ų114.9 Ų14.91%0.0057%0.071CC..Hα-helixtrans-65.7-37-175.9-177.8165.8-179.700113.3K96 L99 Y178 C201 I202 S207 K209 E210 A211K96-E205 IonicContact NZ-OE1 3.86Å; L99-E205 HydrophobicContact CD1-CG 4.16Å; Y178-E205 WeakPolarHBondContact CE1-OE2 3.25Å; Y178-E205 PolarHBondContact OH-OE2 3.3Å; C201-E205 PolarHBondContact O-N 2.84Å; I202-E205 PolarHBondContact O-N 2.89Å; I202-E205 VanDerWaalsContact O-N 3.12Å; E205-S207 VanDerWaalsContact C-N 3.27Å; E205-S207 PolarHBondContact O-N 3.17Å; E205-K209 WeakPolarHBondContact O-CA 3.3Å; E205-K209 PolarHBondContact O-N 3.27Å; E205-E210 WeakPolarHBondContact CA-O 3.41Å; E205-A211 WeakPolarHBondContact OE2-CA 3.33Å; E205-A211 WeakPolarHBondContact OE2-CB 3.48Å
206V95.9Very high96.3Very high0 Ų021 Ų210%010%0.103CC..Hα-helixtrans-66-34.9175.1174.90000110.7L95 L99 L108 V113 I202 S204L95-V206 HydrophobicContact CD1-CG2 4.29Å; L95-V206 HydrophobicContact CD2-CG2 3.73Å; L95-V206 HydrophobicContact CG-CG2 4.3Å; L99-V206 HydrophobicContact CD1-CG2 4.27Å; L108-V206 HydrophobicContact CD1-CG1 3.74Å; V113-V206 HydrophobicContact CB-CG1 4.32Å; V113-V206 HydrophobicContact CG1-CG1 3.98Å; V113-V206 HydrophobicContact CG2-CG1 4.06Å; I202-V206 HydrophobicContact CG2-CG2 3.96Å; I202-V206 WeakPolarHBondContact O-CB 3.28Å; I202-V206 VanDerWaalsContact O-CG2 3.26Å; I202-V206 WeakPolarHBondContact O-CG2 3.46Å; I202-V206 PolarHBondContact O-N 3.3Å; S204-V206 PolarHBondContact O-N 2.71Å
207S95.7Very high95.9Very high7 Ų722.8 Ų22.85%0.04912%0.116CC..Hα-helixtrans-79.6-35.7-178.7-52.50000112.9L107 V113 F203 S204 E205 A268 F269L107-S207 WeakPolarHBondContact CD2-O 3.29Å; V113-S207 WeakPolarHBondContact CG1-OG 3.34Å; F203-S207 WeakPolarHBondContact O-CB 3.46Å; F203-S207 PolarHBondContact O-N 3.47Å; F203-S207 VanDerWaalsContact O-N 3.12Å; F203-S207 PolarHBondContact O-OG 2.96Å; S204-S207 PolarHBondContact O-N 3.12Å; S204-S207 VanDerWaalsContact O-N 3.14Å; E205-S207 VanDerWaalsContact C-N 3.27Å; E205-S207 PolarHBondContact O-N 3.17Å; S207-A268 WeakPolarHBondContact O-CB 3.42Å; S207-F269 VanDerWaalsContact CB-CE2 3.43Å; S207-F269 VanDerWaalsContact CB-CZ 3.47Å; S207-F269 VanDerWaalsContact OG-CZ 3.24Å; S207-F269 WeakPolarHBondContact OG-CZ 3.49Å
208T94.1Very high95.6Very high15 Ų1525.7 Ų25.79%0.09213%0.13CC..Hα-helixtrans-104.4-14.3-175.865.70000114.2S204 E210 I265 A268 F269S204-T208 WeakPolarHBondContact O-CG2 3.46Å; S204-T208 PolarHBondContact O-N 3.04Å; S204-T208 PolarHBondContact O-OG1 2.86Å; T208-E210 PolarHBondContact O-N 3.16Å; T208-E210 PolarHBondContact OG1-N 3.15Å; T208-E210 VanDerWaalsContact OG1-N 3.09Å; T208-E210 PolarHBondContact OG1-O 3.22Å; T208-E210 VanDerWaalsContact OG1-O 3.07Å; T208-I265 HydrophobicContact CG2-CD1 3.79Å; T208-A268 HydrophobicContact CG2-CB 3.9Å; T208-F269 HydrophobicContact CG2-CE2 4.5Å
209K92Very high95.3Very high26 Ų2629 Ų2911%0.11315%0.146CC..SBendtrans62.313.7-165.9-58.9-167.2166.3-1690115.1S102 G103 N106 L107 E205S102-K209 VanDerWaalsContact C-NZ 3.32Å; S102-K209 PolarHBondContact O-NZ 3Å; G103-K209 PolarHBondContact O-NZ 3.38Å; N106-K209 WeakPolarHBondContact O-CE 3.4Å; N106-K209 PolarHBondContact O-NZ 2.92Å; L107-K209 HydrophobicContact CD2-CG 4.43Å; E205-K209 WeakPolarHBondContact O-CA 3.3Å; E205-K209 PolarHBondContact O-N 3.27Å
210E92.6Very high95.1Very high101 Ų10130.6 Ų30.647%0.47216%0.155SC..SBendtrans-127.4127.4-180-65.2-174.7154.200111E205 T208 L212 N264E205-E210 WeakPolarHBondContact CA-O 3.41Å; T208-E210 PolarHBondContact O-N 3.16Å; T208-E210 PolarHBondContact OG1-N 3.15Å; T208-E210 VanDerWaalsContact OG1-N 3.09Å; T208-E210 PolarHBondContact OG1-O 3.22Å; T208-E210 VanDerWaalsContact OG1-O 3.07Å; E210-L212 PolarHBondContact O-N 3.34Å; E210-N264 PolarHBondContact OE2-ND2 2.93Å
211A95.3Very high95Very high8 Ų830.6 Ų30.67%0.06616%0.155CC..  trans-54.9127.917100000110.6W177 E205 R214W177-A211 HydrophobicContact CD2-CB 4.32Å; W177-A211 HydrophobicContact CE3-CB 3.43Å; W177-A211 VanDerWaalsContact CE3-CB 3.43Å; W177-A211 HydrophobicContact CZ3-CB 3.72Å; E205-A211 WeakPolarHBondContact OE2-CA 3.33Å; E205-A211 WeakPolarHBondContact OE2-CB 3.48Å; A211-R214 HydrophobicContact CB-CG 3.83Å; A211-R214 PolarHBondContact O-NE 3.39Å
212L97.5Very high94.8Very high28 Ų2830.9 Ų30.915%0.14716%0.156CC..SBendtrans-65.7-42.7-171.9-17658.2000112.8E210 L228 L259 I265 L281E210-L212 PolarHBondContact O-N 3.34Å; L212-L228 HydrophobicContact CD1-CD2 3.48Å; L212-L228 VanDerWaalsContact CD1-CD2 3.48Å; L212-L228 HydrophobicContact CG-CD2 4.05Å; L212-L259 HydrophobicContact CD1-CD1 4.36Å; L212-I265 HydrophobicContact CD1-CD1 4.19Å; L212-L281 HydrophobicContact CD2-CD1 3.61Å
213F97.5Very high94.7Very high2 Ų233.4 Ų33.41%0.00917%0.167CC..  trans-128.7101.4-177.6-53.4-60.4000110.3W177 W197 G215 Q221 R224 I225 L228 L229 L281W177-F213 WeakPolarHBondContact CA-O 3.48Å; W177-F213 WeakPolarHBondContact CB-O 3.35Å; W197-F213 HydrophobicContact CZ2-CD2 4.39Å; W197-F213 AromaticContact CZ2-CE2 3.72Å; W197-F213 HydrophobicContact CZ2-CE2 3.72Å; W197-F213 HydrophobicContact CZ2-CZ 4.3Å; F213-G215 PolarHBondContact O-N 2.99Å; F213-Q221 PolarHBondContact O-OE1 3.44Å; F213-R224 HydrophobicContact CD1-CB 4.37Å; F213-I225 HydrophobicContact CB-CG1 4.36Å; F213-I225 HydrophobicContact CD1-CB 4.49Å; F213-I225 HydrophobicContact CD1-CG1 3.88Å; F213-I225 HydrophobicContact CD2-CG1 3.89Å; F213-I225 HydrophobicContact CE1-CB 4.36Å; F213-I225 HydrophobicContact CE1-CG1 4.06Å; F213-I225 HydrophobicContact CE2-CG1 4.09Å; F213-I225 HydrophobicContact CG-CG1 3.79Å; F213-I225 HydrophobicContact CZ-CG1 4.17Å; F213-L228 HydrophobicContact CD1-CD2 4.42Å; F213-L228 HydrophobicContact CE1-CB 3.93Å; F213-L228 HydrophobicContact CE1-CD2 3.5Å; F213-L228 VanDerWaalsContact CE1-CD2 3.5Å; F213-L228 HydrophobicContact CE1-CG 4.29Å; F213-L228 HydrophobicContact CZ-CD2 3.98Å; F213-L229 HydrophobicContact CZ-CD1 4.24Å; F213-L229 HydrophobicContact CZ-CG 4.41Å; F213-L281 HydrophobicContact CE2-CD2 4.45Å
214R95Very high94.6Very high108 Ų10838 Ų3841%0.40818%0.184SC..  trans-99.258.7-175.8-60.9-177.2-172.1-143.15.7113.5W177 A211 R224W177-R214 HydrophobicContact CD2-CB 4.44Å; W177-R214 HydrophobicContact CD2-CG 4.25Å; W177-R214 HydrophobicContact CE3-CG 4.32Å; W177-R214 HydrophobicContact CH2-CG 4.26Å; W177-R214 HydrophobicContact CZ2-CB 4.1Å; W177-R214 HydrophobicContact CZ2-CG 4.18Å; W177-R214 HydrophobicContact CZ3-CG 4.32Å; A211-R214 HydrophobicContact CB-CG 3.83Å; A211-R214 PolarHBondContact O-NE 3.39Å; R214-R224 VanDerWaalsContact C-NE 3.31Å; R214-R224 WeakPolarHBondContact O-CD 3.4Å; R214-R224 PolarHBondContact O-NE 2.96Å; R214-R224 PolarHBondContact O-NH2 2.72Å
215G94.3Very high94.6Very high5 Ų537.9 Ų37.95%0.05218%0.184CC..  trans-67.4141177.800000112.6W177 F213 D220W177-G215 PolarHBondContact NE1-O 2.86Å; F213-G215 PolarHBondContact O-N 2.99Å; G215-D220 VanDerWaalsContact CA-OD2 3.31Å; G215-D220 WeakPolarHBondContact CA-OD2 3.49Å
216D90.4Very high94.6Very high128 Ų12837.9 Ų37.968%0.68418%0.184SC*.SBendtrans-96.3-11.4171.260.118.4000113.6D220D216-D220 PolarHBondContact N-OD2 2.99Å; D216-D220 WeakPolarHBondContact OD1-CB 3.33Å
217S91Very high94.7Very high41 Ų4145 Ų4529%0.28721%0.211SC..SBendtrans-149.7167179.3570000109.4I219 D220 Q221S217-I219 VanDerWaalsContact C-N 3.28Å; S217-I219 PolarHBondContact O-N 2.83Å; S217-D220 PolarHBondContact O-N 3.25Å; S217-D220 VanDerWaalsContact OG-CB 3.26Å; S217-D220 WeakPolarHBondContact OG-CB 3.41Å; S217-D220 PolarHBondContact OG-N 3.42Å; S217-Q221 VanDerWaalsContact O-CB 3.25Å; S217-Q221 WeakPolarHBondContact O-CB 3.37Å; S217-Q221 PolarHBondContact O-N 2.92Å
218E90.9Very high94.7Very high61 Ų6145.5 Ų45.529%0.28521%0.213SC..Hα-helixtrans-62.5-38.1-179.9-66.9-175.4151.900112H171 L176 R179 L184 L222H171-E218 IonicContact CE1-OE1 2.92Å; H171-E218 IonicContact CE1-OE2 2.75Å; H171-E218 PolarHBondContact CE1-OE2 3.2Å; H171-E218 VanDerWaalsContact CE1-OE2 3.25Å; H171-E218 IonicContact ND1-OE1 3.29Å; H171-E218 PolarHBondContact ND1-OE1 3.44Å; H171-E218 IonicContact ND1-OE2 3.52Å; H171-E218 PolarHBondContact ND1-OE2 3.01Å; H171-E218 VanDerWaalsContact ND1-OE2 3.12Å; L176-E218 HydrophobicContact CD1-CB 4.5Å; L176-E218 HydrophobicContact CD1-CG 3.83Å; L176-E218 HydrophobicContact CD2-CG 4.39Å; R179-E218 IonicContact NH1-OE1 2.96Å; R179-E218 PolarHBondContact NH1-OE1 3.01Å; L184-E218 HydrophobicContact CD2-CB 3.97Å; L184-E218 HydrophobicContact CD2-CG 3.95Å; E218-L222 WeakPolarHBondContact O-CG 3.32Å; E218-L222 PolarHBondContact O-N 2.85Å
219I92.5Very high94.9Very high76 Ų7645.7 Ų45.739%0.3921%0.213SC..Hα-helixtrans-70.4-42.6177-168.861.2000112.2S217 Q221 L222 F223 F251S217-I219 VanDerWaalsContact C-N 3.28Å; S217-I219 PolarHBondContact O-N 2.83Å; I219-Q221 VanDerWaalsContact C-N 3.32Å; I219-Q221 PolarHBondContact O-N 3Å; I219-L222 PolarHBondContact O-N 2.81Å; I219-F223 HydrophobicContact CD1-CD1 4.2Å; I219-F223 HydrophobicContact CD1-CE1 3.53Å; I219-F223 HydrophobicContact CD1-CE2 4.3Å; I219-F223 HydrophobicContact CD1-CZ 3.59Å; I219-F223 HydrophobicContact CG1-CD1 4.49Å; I219-F223 HydrophobicContact CG1-CD2 4.35Å; I219-F223 HydrophobicContact CG1-CE1 3.97Å; I219-F223 HydrophobicContact CG1-CE2 3.81Å; I219-F223 HydrophobicContact CG1-CZ 3.6Å; I219-F223 VanDerWaalsContact O-CG 3.31Å; I219-F223 WeakPolarHBondContact O-CG 3.28Å; I219-F223 PolarHBondContact O-N 3.3Å; I219-F251 HydrophobicContact CD1-CD1 4.21Å; I219-F251 HydrophobicContact CD1-CE1 3.58Å; I219-F251 HydrophobicContact CD1-CZ 4.47Å
220D93.7Very high95.1Very high34 Ų3444.7 Ų44.718%0.18221%0.21CC..Hα-helixtrans-65.2-38.7175.6-175.447.8000111G215 D216 S217 L222 F223 R224G215-D220 VanDerWaalsContact CA-OD2 3.31Å; G215-D220 WeakPolarHBondContact CA-OD2 3.49Å; D216-D220 PolarHBondContact N-OD2 2.99Å; D216-D220 WeakPolarHBondContact OD1-CB 3.33Å; S217-D220 PolarHBondContact O-N 3.25Å; S217-D220 VanDerWaalsContact OG-CB 3.26Å; S217-D220 WeakPolarHBondContact OG-CB 3.41Å; S217-D220 PolarHBondContact OG-N 3.42Å; D220-L222 PolarHBondContact O-N 3.47Å; D220-F223 PolarHBondContact O-N 2.76Å; D220-R224 WeakPolarHBondContact O-CG 3.44Å; D220-R224 PolarHBondContact O-N 3.29Å; D220-R224 IonicContact OD1-NE 2.73Å; D220-R224 IonicContact OD1-NH2 3.3Å; D220-R224 IonicContact OD2-CZ 3.37Å; D220-R224 VanDerWaalsContact OD2-CZ 3.29Å; D220-R224 IonicContact OD2-NE 2.58Å; D220-R224 PolarHBondContact OD2-NE 3.05Å; D220-R224 IonicContact OD2-NH2 2.64Å; D220-R224 PolarHBondContact OD2-NH2 3.17Å
221Q95.9Very high95.3Very high0 Ų041 Ų410%020%0.195CC..Hα-helixtrans-58.9-48174.2-175.365.428.600111.1L176 W177 L184 F213 S217 I219 F223 R224 I225L176-Q221 HydrophobicContact CB-CB 4.34Å; L176-Q221 HydrophobicContact CB-CG 4.14Å; L176-Q221 PolarHBondContact O-NE2 3.39Å; W177-Q221 PolarHBondContact O-NE2 3.32Å; L184-Q221 HydrophobicContact CD1-CB 4.18Å; L184-Q221 HydrophobicContact CD1-CG 3.53Å; L184-Q221 HydrophobicContact CD2-CG 4.39Å; F213-Q221 PolarHBondContact O-OE1 3.44Å; S217-Q221 VanDerWaalsContact O-CB 3.25Å; S217-Q221 WeakPolarHBondContact O-CB 3.37Å; S217-Q221 PolarHBondContact O-N 2.92Å; I219-Q221 VanDerWaalsContact C-N 3.32Å; I219-Q221 PolarHBondContact O-N 3Å; Q221-F223 PolarHBondContact O-N 3.41Å; Q221-R224 PolarHBondContact O-N 2.91Å; Q221-I225 HydrophobicContact CG-CD1 4.26Å; Q221-I225 VanDerWaalsContact O-CG1 3.29Å; Q221-I225 WeakPolarHBondContact O-CG1 3.47Å; Q221-I225 PolarHBondContact O-N 3.2Å; Q221-I225 VanDerWaalsContact O-N 3.09Å
222L96Very high95.3Very high6 Ų640.8 Ų40.83%0.03119%0.192CC..Hα-helixtrans-59.2-45.7173.9-77.1172.9000111.8L184 L185 E218 I219 D220 R224 I225 F226 F251L184-L222 HydrophobicContact CB-CD1 4.23Å; L184-L222 HydrophobicContact CB-CD2 3.64Å; L184-L222 HydrophobicContact CB-CG 3.85Å; L184-L222 HydrophobicContact CD1-CD2 3.99Å; L184-L222 HydrophobicContact CD1-CG 4.18Å; L184-L222 HydrophobicContact CG-CD2 4.47Å; L185-L222 HydrophobicContact CD2-CD1 3.87Å; L185-L222 HydrophobicContact CD2-CD2 4.15Å; L185-L222 HydrophobicContact CG-CD1 4.47Å; L185-L222 HydrophobicContact CG-CD2 4.03Å; E218-L222 WeakPolarHBondContact O-CG 3.32Å; E218-L222 PolarHBondContact O-N 2.85Å; I219-L222 PolarHBondContact O-N 2.81Å; D220-L222 PolarHBondContact O-N 3.47Å; L222-R224 VanDerWaalsContact C-N 3.32Å; L222-R224 PolarHBondContact O-N 3.13Å; L222-I225 WeakPolarHBondContact O-CB 3.47Å; L222-I225 PolarHBondContact O-N 3.48Å; L222-F226 HydrophobicContact CB-CE2 4.09Å; L222-F226 HydrophobicContact CB-CZ 4.08Å; L222-F226 HydrophobicContact CD2-CE1 3.99Å; L222-F226 HydrophobicContact CD2-CZ 3.75Å; L222-F226 HydrophobicContact CG-CZ 4.38Å; L222-F226 WeakPolarHBondContact O-CB 3.42Å; L222-F226 WeakPolarHBondContact O-CD1 3.44Å; L222-F226 WeakPolarHBondContact O-CG 3.37Å; L222-F226 PolarHBondContact O-N 2.77Å; L222-F251 HydrophobicContact CD1-CZ 4.35Å
223F95.8Very high95.1Very high53 Ų5341.6 Ų41.623%0.23220%0.201CC..Hα-helixtrans-63.5-35.7-180-70.9-7.3000113I219 D220 Q221 F226 R227 F251 P252 W254I219-F223 HydrophobicContact CD1-CD1 4.2Å; I219-F223 HydrophobicContact CD1-CE1 3.53Å; I219-F223 HydrophobicContact CD1-CE2 4.3Å; I219-F223 HydrophobicContact CD1-CZ 3.59Å; I219-F223 HydrophobicContact CG1-CD1 4.49Å; I219-F223 HydrophobicContact CG1-CD2 4.35Å; I219-F223 HydrophobicContact CG1-CE1 3.97Å; I219-F223 HydrophobicContact CG1-CE2 3.81Å; I219-F223 HydrophobicContact CG1-CZ 3.6Å; I219-F223 VanDerWaalsContact O-CG 3.31Å; I219-F223 WeakPolarHBondContact O-CG 3.28Å; I219-F223 PolarHBondContact O-N 3.3Å; D220-F223 PolarHBondContact O-N 2.76Å; Q221-F223 PolarHBondContact O-N 3.41Å; F223-F226 HydrophobicContact CD1-CD2 4.4Å; F223-R227 WeakPolarHBondContact O-CB 3.14Å; F223-R227 PolarHBondContact O-N 3.41Å; F223-F251 AromaticContact CE1-CD1 3.79Å; F223-F251 HydrophobicContact CE1-CD1 3.79Å; F223-F251 HydrophobicContact CE1-CE1 4.33Å; F223-F251 HydrophobicContact CE1-CG 4.49Å; F223-F251 HydrophobicContact CZ-CD1 4.44Å; F223-P252 HydrophobicContact CZ-CG 4.41Å; F223-W254 HydrophobicContact CB-CH2 4.05Å; F223-W254 HydrophobicContact CB-CZ3 4.35Å; F223-W254 HydrophobicContact CD1-CH2 4.26Å; F223-W254 HydrophobicContact CD1-CZ3 4.13Å; F223-W254 HydrophobicContact CG-CH2 4.09Å; F223-W254 HydrophobicContact CG-CZ3 4.36Å
224R97Very high94.9Very high96 Ų9645.2 Ų45.236%0.36222%0.218SC..Hα-helixtrans-66.4-42.5173.6-71.4174.9-169.2-92.62.9112F213 R214 D220 Q221 L222 L228F213-R224 HydrophobicContact CD1-CB 4.37Å; R214-R224 VanDerWaalsContact C-NE 3.31Å; R214-R224 WeakPolarHBondContact O-CD 3.4Å; R214-R224 PolarHBondContact O-NE 2.96Å; R214-R224 PolarHBondContact O-NH2 2.72Å; D220-R224 WeakPolarHBondContact O-CG 3.44Å; D220-R224 PolarHBondContact O-N 3.29Å; D220-R224 IonicContact OD1-NE 2.73Å; D220-R224 IonicContact OD1-NH2 3.3Å; D220-R224 IonicContact OD2-CZ 3.37Å; D220-R224 VanDerWaalsContact OD2-CZ 3.29Å; D220-R224 IonicContact OD2-NE 2.58Å; D220-R224 PolarHBondContact OD2-NE 3.05Å; D220-R224 IonicContact OD2-NH2 2.64Å; D220-R224 PolarHBondContact OD2-NH2 3.17Å; Q221-R224 PolarHBondContact O-N 2.91Å; L222-R224 VanDerWaalsContact C-N 3.32Å; L222-R224 PolarHBondContact O-N 3.13Å; R224-L228 PolarHBondContact O-N 3Å
225I97.9Very high94.9Very high0 Ų048.3 Ų48.30%024%0.237CC..Hα-helixtrans-60.3-52.1174.8-66.3166.9000109.7L184 W197 F213 Q221 L222 R227 L228 L229 Y283L184-I225 HydrophobicContact CD1-CD1 3.91Å; W197-I225 HydrophobicContact CH2-CG2 3.72Å; W197-I225 HydrophobicContact CZ2-CD1 3.84Å; W197-I225 HydrophobicContact CZ2-CG1 4.01Å; W197-I225 HydrophobicContact CZ2-CG2 3.85Å; F213-I225 HydrophobicContact CB-CG1 4.36Å; F213-I225 HydrophobicContact CD1-CB 4.49Å; F213-I225 HydrophobicContact CD1-CG1 3.88Å; F213-I225 HydrophobicContact CD2-CG1 3.89Å; F213-I225 HydrophobicContact CE1-CB 4.36Å; F213-I225 HydrophobicContact CE1-CG1 4.06Å; F213-I225 HydrophobicContact CE2-CG1 4.09Å; F213-I225 HydrophobicContact CG-CG1 3.79Å; F213-I225 HydrophobicContact CZ-CG1 4.17Å; Q221-I225 HydrophobicContact CG-CD1 4.26Å; Q221-I225 VanDerWaalsContact O-CG1 3.29Å; Q221-I225 WeakPolarHBondContact O-CG1 3.47Å; Q221-I225 PolarHBondContact O-N 3.2Å; Q221-I225 VanDerWaalsContact O-N 3.09Å; L222-I225 WeakPolarHBondContact O-CB 3.47Å; L222-I225 PolarHBondContact O-N 3.48Å; I225-R227 PolarHBondContact O-N 3.16Å; I225-L228 PolarHBondContact O-N 3.26Å; I225-L229 HydrophobicContact CG2-CD1 4.09Å; I225-L229 PolarHBondContact O-N 3.36Å; I225-Y283 HydrophobicContact CG2-CE1 3.83Å; I225-Y283 WeakPolarHBondContact CG2-OH 3.34Å
226F96.7Very high94.9Very high0 Ų051.5 Ų51.50%026%0.255CS..Hα-helixtrans-65.7-36.4-177.8-59.4-13000112.5L222 F223 L228 G230 T231 P232 F251 W254 Y283L222-F226 HydrophobicContact CB-CE2 4.09Å; L222-F226 HydrophobicContact CB-CZ 4.08Å; L222-F226 HydrophobicContact CD2-CE1 3.99Å; L222-F226 HydrophobicContact CD2-CZ 3.75Å; L222-F226 HydrophobicContact CG-CZ 4.38Å; L222-F226 WeakPolarHBondContact O-CB 3.42Å; L222-F226 WeakPolarHBondContact O-CD1 3.44Å; L222-F226 WeakPolarHBondContact O-CG 3.37Å; L222-F226 PolarHBondContact O-N 2.77Å; F223-F226 HydrophobicContact CD1-CD2 4.4Å; F226-L228 PolarHBondContact O-N 3.04Å; F226-G230 CarbonylContact O-C 3.22Å; F226-G230 WeakPolarHBondContact O-CA 3.49Å; F226-G230 PolarHBondContact O-N 3.11Å; F226-T231 HydrophobicContact CD2-CG2 4.23Å; F226-P232 VanDerWaalsContact CD1-CD 3.47Å; F226-P232 HydrophobicContact CD1-CG 4.31Å; F226-P232 HydrophobicContact CE1-CG 3.76Å; F226-P232 HydrophobicContact CZ-CG 4.15Å; F226-F251 AromaticContact CE2-CD2 3.81Å; F226-F251 HydrophobicContact CE2-CD2 3.81Å; F226-F251 HydrophobicContact CE2-CE2 4.04Å; F226-F251 HydrophobicContact CE2-CG 4.2Å; F226-F251 HydrophobicContact CZ-CD2 4.49Å; F226-F251 HydrophobicContact CZ-CE2 4.42Å; F226-W254 HydrophobicContact CB-CE3 3.58Å; F226-W254 HydrophobicContact CB-CZ3 3.91Å; F226-W254 HydrophobicContact CD2-CZ3 4.47Å; F226-W254 WeakPolarHBondContact O-CB 3.46Å; F226-Y283 HydrophobicContact CD1-CE1 4.29Å; F226-Y283 WeakPolarHBondContact CD1-OH 3.33Å; F226-Y283 HydrophobicContact CE1-CE1 4.22Å
227R96.4Very high95.2Very high150 Ų15046.2 Ų46.257%0.56623%0.225SC*.Hα-helixtrans-63.2-33.1176.5-176.2177.4-66.6-177.41.1112.2F223 I225 W254F223-R227 WeakPolarHBondContact O-CB 3.14Å; F223-R227 PolarHBondContact O-N 3.41Å; I225-R227 PolarHBondContact O-N 3.16Å; R227-W254 HydrophobicContact CB-CD2 4.22Å; R227-W254 HydrophobicContact CB-CG 4.46Å
228L97.3Very high95.4Very high17 Ų1747.8 Ų47.89%0.08924%0.235CC..Hα-helixtrans-87.6-44.5179.8-17458.4000112.9L212 F213 R224 I225 F226 S257 K258 L259L212-L228 HydrophobicContact CD1-CD2 3.48Å; L212-L228 VanDerWaalsContact CD1-CD2 3.48Å; L212-L228 HydrophobicContact CG-CD2 4.05Å; F213-L228 HydrophobicContact CD1-CD2 4.42Å; F213-L228 HydrophobicContact CE1-CB 3.93Å; F213-L228 HydrophobicContact CE1-CD2 3.5Å; F213-L228 VanDerWaalsContact CE1-CD2 3.5Å; F213-L228 HydrophobicContact CE1-CG 4.29Å; F213-L228 HydrophobicContact CZ-CD2 3.98Å; R224-L228 PolarHBondContact O-N 3Å; I225-L228 PolarHBondContact O-N 3.26Å; F226-L228 PolarHBondContact O-N 3.04Å; L228-S257 CarbonylContact O-C 3.54Å; L228-K258 HydrophobicContact CD1-CB 4.25Å; L228-K258 PolarHBondContact O-N 2.89Å; L228-L259 HydrophobicContact CD2-CD1 3.71Å; L228-L259 HydrophobicContact CG-CB 4.46Å; L228-L259 HydrophobicContact CG-CD1 4.2Å
229L97.6Very high95.5Very high19 Ų1946.2 Ų46.210%0.09924%0.235CC..Hα-helixtrans-101-7.2-172.1-55.8-178.5000113.6W197 F213 I225 L259 L281 Y283W197-L229 HydrophobicContact CH2-CD1 3.57Å; W197-L229 HydrophobicContact CZ2-CD1 4.49Å; W197-L229 HydrophobicContact CZ3-CD1 4.18Å; F213-L229 HydrophobicContact CZ-CD1 4.24Å; F213-L229 HydrophobicContact CZ-CG 4.41Å; I225-L229 HydrophobicContact CG2-CD1 4.09Å; I225-L229 PolarHBondContact O-N 3.36Å; L229-L259 HydrophobicContact CD2-CB 4Å; L229-L259 HydrophobicContact CD2-CD2 4.06Å; L229-L259 HydrophobicContact CD2-CG 4.44Å; L229-L281 HydrophobicContact CD1-CB 4.24Å; L229-Y283 HydrophobicContact CB-CE2 3.85Å; L229-Y283 WeakPolarHBondContact CB-OH 3.45Å
230G96.5Very high95.7Very high5 Ų542.6 Ų42.65%0.05222%0.216CC..  trans90.7150.4-170.300000111.8F226 W254 Y283F226-G230 CarbonylContact O-C 3.22Å; F226-G230 WeakPolarHBondContact O-CA 3.49Å; F226-G230 PolarHBondContact O-N 3.11Å; G230-W254 CarbonylContact C-O 3.56Å; G230-W254 WeakPolarHBondContact CA-O 3.26Å; G230-Y283 WeakPolarHBondContact O-CE2 3.1Å; G230-Y283 PolarHBondContact O-OH 3.41Å
231T96Very high95.7Very high25 Ų2544 Ų4415%0.15323%0.229CC..  trans-69.3125.1175.7-540000109.2F226 S233 P252 W254F226-T231 HydrophobicContact CD2-CG2 4.23Å; T231-S233 PolarHBondContact O-N 3.33Å; T231-P252 PolarHBondContact OG1-O 2.77Å; T231-W254 PolarHBondContact N-O 3.41Å; T231-W254 PolarHBondContact OG1-N 2.94Å
232P95.7Very high95.6Very high2 Ų248.7 Ų48.71%0.01326%0.261CS..  trans-65.8138.8-177.126.2-33.2000110.7F226 W237 V240 Y246 Y283F226-P232 VanDerWaalsContact CD1-CD 3.47Å; F226-P232 HydrophobicContact CD1-CG 4.31Å; F226-P232 HydrophobicContact CE1-CG 3.76Å; F226-P232 HydrophobicContact CZ-CG 4.15Å; P232-W237 HydrophobicContact CB-CE3 4.24Å; P232-V240 HydrophobicContact CB-CG2 4.24Å; P232-V240 HydrophobicContact CG-CG2 4.16Å; P232-Y246 HydrophobicContact CG-CE2 4.29Å; P232-Y246 PolarHBondContact O-OH 3.33Å; P232-Y283 HydrophobicContact CB-CD1 4.2Å; P232-Y283 HydrophobicContact CB-CD2 4.09Å; P232-Y283 HydrophobicContact CB-CE1 4.35Å; P232-Y283 HydrophobicContact CB-CE2 4.23Å; P232-Y283 HydrophobicContact CB-CG 4.08Å; P232-Y283 HydrophobicContact CG-CD1 4.31Å; P232-Y283 HydrophobicContact CG-CE1 4.13Å
233S93.1Very high95.5Very high46 Ų4649.7 Ų49.732%0.32227%0.266SS..  trans-118.7171.1174.269.90000109.7T231 E235 V236 W237T231-S233 PolarHBondContact O-N 3.33Å; S233-E235 PolarHBondContact O-N 2.85Å; S233-E235 VanDerWaalsContact O-N 3.13Å; S233-E235 PolarHBondContact OG-N 2.74Å; S233-V236 PolarHBondContact O-N 3Å; S233-V236 VanDerWaalsContact O-N 3.16Å; S233-W237 CarbonylContact O-C 3.49Å; S233-W237 PolarHBondContact O-N 3.32Å
234E94.1Very high95.3Very high78 Ų7850.9 Ų50.936%0.36428%0.28SS..THydrogen-bonded Turntrans-59.3-19.6172.7-69.1-61137.800113.8P238 G239 V240 S241E234-P238 WeakPolarHBondContact O-CA 3.3Å; E234-P238 WeakPolarHBondContact O-CG 3.35Å; E234-G239 PolarHBondContact OE2-N 2.9Å; E234-V240 PolarHBondContact OE1-N 3.39Å; E234-S241 WeakPolarHBondContact OE1-CA 3.33Å; E234-S241 WeakPolarHBondContact OE1-CB 3.44Å; E234-S241 PolarHBondContact OE1-N 3.33Å; E234-S241 PolarHBondContact OE1-OG 2.71Å
235E94.2Very high95Very high172 Ų17251.1 Ų51.180%0.80429%0.285SS*.THydrogen-bonded Turntrans-76.6-42.9176-176.1-176.2178.400111.6S233S233-E235 PolarHBondContact O-N 2.85Å; S233-E235 VanDerWaalsContact O-N 3.13Å; S233-E235 PolarHBondContact OG-N 2.74Å
236V94.2Very high94.7Very high72 Ų7252.5 Ų52.544%0.43629%0.29SS..THydrogen-bonded Turntrans-84.4-31.9-177.9179.10000111.6S233 Y283S233-V236 PolarHBondContact O-N 3Å; S233-V236 VanDerWaalsContact O-N 3.16Å; V236-Y283 HydrophobicContact CG1-CD2 3.93Å
237W95.9Very high94.1Very high17 Ų1757.6 Ų57.66%0.06431%0.314CS..SBendtrans-142.588.8178.1-177.9-1.1000109.5P181 E182 L185 P232 S233 G239 V240 L243 Y283 E284 P285P181-W237 HydrophobicContact CB-CZ3 4.25Å; P181-W237 HydrophobicContact CG-CZ3 4.39Å; E182-W237 HydrophobicContact CB-CH2 3.71Å; E182-W237 HydrophobicContact CB-CZ2 3.93Å; L185-W237 HydrophobicContact CD1-CH2 4Å; L185-W237 HydrophobicContact CD1-CZ3 3.68Å; P232-W237 HydrophobicContact CB-CE3 4.24Å; S233-W237 CarbonylContact O-C 3.49Å; S233-W237 PolarHBondContact O-N 3.32Å; W237-G239 PolarHBondContact O-N 2.73Å; W237-V240 HydrophobicContact CB-CB 4.05Å; W237-V240 HydrophobicContact CB-CG1 4.49Å; W237-V240 HydrophobicContact CD2-CB 3.82Å; W237-V240 HydrophobicContact CD2-CG2 3.82Å; W237-V240 HydrophobicContact CE3-CB 4.03Å; W237-V240 HydrophobicContact CE3-CG2 3.51Å; W237-V240 HydrophobicContact CG-CB 3.82Å; W237-V240 HydrophobicContact CG-CG2 4.32Å; W237-V240 HydrophobicContact CZ3-CG2 3.94Å; W237-V240 WeakPolarHBondContact O-CB 3.1Å; W237-V240 WeakPolarHBondContact O-CG1 3.3Å; W237-V240 PolarHBondContact O-N 3.25Å; W237-V240 VanDerWaalsContact O-N 3.08Å; W237-L243 HydrophobicContact CH2-CD1 3.55Å; W237-L243 HydrophobicContact CZ2-CD1 3.54Å; W237-L243 HydrophobicContact CZ3-CD1 4.25Å; W237-Y283 HydrophobicContact CE3-CD1 4.08Å; W237-Y283 HydrophobicContact CE3-CG 4.25Å; W237-Y283 HydrophobicContact CZ3-CD1 4.2Å; W237-E284 HydrophobicContact CB-CB 4.46Å; W237-E284 HydrophobicContact CG-CB 4.21Å; W237-E284 HydrophobicContact CG-CG 4.48Å; W237-P285 HydrophobicContact CZ2-CG 4.35Å
238P95.7Very high93Very high75 Ų7557.3 Ų57.349%0.48732%0.317SS..THydrogen-bonded Turntrans-54.6126.5173.7-25.534.8000111.5E234 E284E234-P238 WeakPolarHBondContact O-CA 3.3Å; E234-P238 WeakPolarHBondContact O-CG 3.35Å; P238-E284 WeakPolarHBondContact CD-OE2 3.45Å
239G94.4Very high91.8Very high27 Ų2766.8 Ų66.828%0.27836%0.358SS..THydrogen-bonded Turntrans90.6-1.6-17800000115.3E234 W237 S241 S242E234-G239 PolarHBondContact OE2-N 2.9Å; W237-G239 PolarHBondContact O-N 2.73Å; G239-S241 PolarHBondContact O-N 3.35Å; G239-S242 WeakPolarHBondContact O-CB 3.5Å; G239-S242 PolarHBondContact O-N 3.11Å; G239-S242 PolarHBondContact O-OG 2.93Å
240V95.1Very high91Very high1 Ų169 Ų691%0.00638%0.375CS..G310 helixtrans-57.6-34.1-179.770.40000112.6L185 P232 E234 W237 S242 L243 Y246L185-V240 HydrophobicContact CD1-CG2 4.08Å; P232-V240 HydrophobicContact CB-CG2 4.24Å; P232-V240 HydrophobicContact CG-CG2 4.16Å; E234-V240 PolarHBondContact OE1-N 3.39Å; W237-V240 HydrophobicContact CB-CB 4.05Å; W237-V240 HydrophobicContact CB-CG1 4.49Å; W237-V240 HydrophobicContact CD2-CB 3.82Å; W237-V240 HydrophobicContact CD2-CG2 3.82Å; W237-V240 HydrophobicContact CE3-CB 4.03Å; W237-V240 HydrophobicContact CE3-CG2 3.51Å; W237-V240 HydrophobicContact CG-CB 3.82Å; W237-V240 HydrophobicContact CG-CG2 4.32Å; W237-V240 HydrophobicContact CZ3-CG2 3.94Å; W237-V240 WeakPolarHBondContact O-CB 3.1Å; W237-V240 WeakPolarHBondContact O-CG1 3.3Å; W237-V240 PolarHBondContact O-N 3.25Å; W237-V240 VanDerWaalsContact O-N 3.08Å; V240-S242 PolarHBondContact O-N 2.58Å; V240-L243 HydrophobicContact CG2-CD1 4.11Å; V240-L243 WeakPolarHBondContact O-CB 3.32Å; V240-L243 PolarHBondContact O-N 3.21Å; V240-Y246 HydrophobicContact CG1-CE2 4.24Å; V240-Y246 HydrophobicContact CG2-CD2 3.67Å; V240-Y246 HydrophobicContact CG2-CE2 3.75Å; V240-Y246 HydrophobicContact CG2-CG 4.36Å; V240-Y246 VanDerWaalsContact O-CB 3.27Å; V240-Y246 WeakPolarHBondContact O-CB 3.46Å
241S93.9Very high90.6Very high63 Ų6369.5 Ų69.544%0.44138%0.375SS..G310 helixtrans-70-11.617864.10000114.9E234 G239E234-S241 WeakPolarHBondContact OE1-CA 3.33Å; E234-S241 WeakPolarHBondContact OE1-CB 3.44Å; E234-S241 PolarHBondContact OE1-N 3.33Å; E234-S241 PolarHBondContact OE1-OG 2.71Å; G239-S241 PolarHBondContact O-N 3.35Å
242S93.5Very high90.4Very high98 Ų9870.9 Ų70.969%0.68539%0.385SS*.G310 helixtrans-90.5-6.517573.20000113.6G239 V240G239-S242 WeakPolarHBondContact O-CB 3.5Å; G239-S242 PolarHBondContact O-N 3.11Å; G239-S242 PolarHBondContact O-OG 2.93Å; V240-S242 PolarHBondContact O-N 2.58Å
243L93.9Very high90.2Very high27 Ų2777.3 Ų77.314%0.14142%0.418CS..SBendtrans-71.9138.7179.5-65.6175.2000111L185 A187 W237 V240 E245 Y246L185-L243 HydrophobicContact CB-CB 4.07Å; L185-L243 HydrophobicContact CB-CD1 3.67Å; L185-L243 HydrophobicContact CB-CG 4.48Å; L185-L243 HydrophobicContact CD1-CD1 3.83Å; L185-L243 HydrophobicContact CG-CD1 4.4Å; A187-L243 HydrophobicContact CB-CD2 3.82Å; W237-L243 HydrophobicContact CH2-CD1 3.55Å; W237-L243 HydrophobicContact CZ2-CD1 3.54Å; W237-L243 HydrophobicContact CZ3-CD1 4.25Å; V240-L243 HydrophobicContact CG2-CD1 4.11Å; V240-L243 WeakPolarHBondContact O-CB 3.32Å; V240-L243 PolarHBondContact O-N 3.21Å; L243-E245 VanDerWaalsContact C-N 3.29Å; L243-E245 PolarHBondContact O-N 3.3Å; L243-E245 VanDerWaalsContact O-N 3.17Å; L243-Y246 PolarHBondContact O-N 3.11Å
244P91.6Very high90.2Very high79 Ų7977.7 Ų77.751%0.51341%0.412SS..THydrogen-bonded Turntrans-53.8-40.5-171.1-30.537.5000114.8G186G186-P244 WeakPolarHBondContact O-CD 3.37Å; G186-P244 WeakPolarHBondContact O-CG 3.46Å
245E91.2Very high90Very high100 Ų10083.8 Ų83.847%0.46743%0.432SS..THydrogen-bonded Turntrans-97.17.7-176.4-53-56.4147.800112.8L185 L243 Q247 F251L185-E245 PolarHBondContact O-N 2.64Å; L243-E245 VanDerWaalsContact C-N 3.29Å; L243-E245 PolarHBondContact O-N 3.3Å; L243-E245 VanDerWaalsContact O-N 3.17Å; E245-Q247 PolarHBondContact O-N 2.75Å; E245-Q247 VanDerWaalsContact O-N 3.11Å; E245-F251 WeakPolarHBondContact O-CZ 3.43Å
246Y91.3Very high89.8Confident29 Ų2982 Ų8211%0.11443%0.428CS..  trans-79.897177.2-171.6-92.6000111.5L185 P232 V240 L243 K248 F251L185-Y246 HydrophobicContact CD1-CD2 4.36Å; L185-Y246 HydrophobicContact CD2-CD2 4.12Å; P232-Y246 HydrophobicContact CG-CE2 4.29Å; P232-Y246 PolarHBondContact O-OH 3.33Å; V240-Y246 HydrophobicContact CG1-CE2 4.24Å; V240-Y246 HydrophobicContact CG2-CD2 3.67Å; V240-Y246 HydrophobicContact CG2-CE2 3.75Å; V240-Y246 HydrophobicContact CG2-CG 4.36Å; V240-Y246 VanDerWaalsContact O-CB 3.27Å; V240-Y246 WeakPolarHBondContact O-CB 3.46Å; L243-Y246 PolarHBondContact O-N 3.11Å; Y246-K248 HydrophobicContact CD1-CB 4.09Å; Y246-K248 HydrophobicContact CE1-CB 3.58Å; Y246-K248 HydrophobicContact CE1-CD 4.41Å; Y246-K248 HydrophobicContact CE1-CG 3.93Å; Y246-K248 PolarHBondContact O-N 3.28Å; Y246-F251 HydrophobicContact CD2-CD2 4.21Å; Y246-F251 AromaticContact CD2-CE2 3.88Å; Y246-F251 HydrophobicContact CD2-CE2 3.88Å; Y246-F251 HydrophobicContact CE2-CD2 4.19Å; Y246-F251 HydrophobicContact CE2-CE2 4.31Å; Y246-F251 HydrophobicContact CG-CE2 4.35Å
247Q84.8Confident89.8Confident107 Ų10781.2 Ų81.250%0.543%0.425SS..  trans-96.879.3179.9-59.5179.219.800111.2E245 K249 S250 F251E245-Q247 PolarHBondContact O-N 2.75Å; E245-Q247 VanDerWaalsContact O-N 3.11Å; Q247-K249 PolarHBondContact O-N 2.93Å; Q247-S250 WeakPolarHBondContact CB-OG 3.49Å; Q247-S250 PolarHBondContact O-N 2.61Å; Q247-S250 PolarHBondContact O-OG 3.24Å; Q247-S250 VanDerWaalsContact O-OG 3.13Å; Q247-S250 PolarHBondContact OE1-OG 2.97Å; Q247-F251 HydrophobicContact CB-CE1 4.24Å; Q247-F251 HydrophobicContact CB-CZ 4.29Å; Q247-F251 PolarHBondContact O-N 3.08Å; Q247-F251 VanDerWaalsContact O-N 3.17Å
248K72.1Confident89.8Confident144 Ų14485.1 Ų85.163%0.62644%0.443SS*.THydrogen-bonded Turntrans-48.7-36.8-175.9-167.5173.6-180174.80114.6Y246Y246-K248 HydrophobicContact CD1-CB 4.09Å; Y246-K248 HydrophobicContact CE1-CB 3.58Å; Y246-K248 HydrophobicContact CE1-CD 4.41Å; Y246-K248 HydrophobicContact CE1-CG 3.93Å; Y246-K248 PolarHBondContact O-N 3.28Å
249K73.4Confident89.8Confident217 Ų21781.6 Ų81.694%0.94342%0.42SS*.THydrogen-bonded Turntrans-81.5-19.3-175.8-67.5-174.2-179.9179.30113.7Q247Q247-K249 PolarHBondContact O-N 2.93Å
250S80.3Confident89.8Confident65 Ų6582.6 Ų82.646%0.45542%0.423SS..THydrogen-bonded Turntrans-103.9-22.9-176.361.20000113.2Q247Q247-S250 WeakPolarHBondContact CB-OG 3.49Å; Q247-S250 PolarHBondContact O-N 2.61Å; Q247-S250 PolarHBondContact O-OG 3.24Å; Q247-S250 VanDerWaalsContact O-OG 3.13Å; Q247-S250 PolarHBondContact OE1-OG 2.97Å
251F88Confident89.7Confident15 Ų1588.4 Ų88.47%0.06645%0.452CS..SBendtrans-72.4133179-65.1-19.9000112.5L185 I219 L222 F223 F226 E245 Y246 Q247L185-F251 HydrophobicContact CD2-CE2 4.05Å; L185-F251 HydrophobicContact CD2-CZ 4.3Å; I219-F251 HydrophobicContact CD1-CD1 4.21Å; I219-F251 HydrophobicContact CD1-CE1 3.58Å; I219-F251 HydrophobicContact CD1-CZ 4.47Å; L222-F251 HydrophobicContact CD1-CZ 4.35Å; F223-F251 AromaticContact CE1-CD1 3.79Å; F223-F251 HydrophobicContact CE1-CD1 3.79Å; F223-F251 HydrophobicContact CE1-CE1 4.33Å; F223-F251 HydrophobicContact CE1-CG 4.49Å; F223-F251 HydrophobicContact CZ-CD1 4.44Å; F226-F251 AromaticContact CE2-CD2 3.81Å; F226-F251 HydrophobicContact CE2-CD2 3.81Å; F226-F251 HydrophobicContact CE2-CE2 4.04Å; F226-F251 HydrophobicContact CE2-CG 4.2Å; F226-F251 HydrophobicContact CZ-CD2 4.49Å; F226-F251 HydrophobicContact CZ-CE2 4.42Å; E245-F251 WeakPolarHBondContact O-CZ 3.43Å; Y246-F251 HydrophobicContact CD2-CD2 4.21Å; Y246-F251 AromaticContact CD2-CE2 3.88Å; Y246-F251 HydrophobicContact CD2-CE2 3.88Å; Y246-F251 HydrophobicContact CE2-CD2 4.19Å; Y246-F251 HydrophobicContact CE2-CE2 4.31Å; Y246-F251 HydrophobicContact CG-CE2 4.35Å; Q247-F251 HydrophobicContact CB-CE1 4.24Å; Q247-F251 HydrophobicContact CB-CZ 4.29Å; Q247-F251 PolarHBondContact O-N 3.08Å; Q247-F251 VanDerWaalsContact O-N 3.17Å
252P91.1Very high89.7Confident55 Ų5588.6 Ų88.636%0.35745%0.446SS..  trans-61.2145.8168.8-18.330.5000110.8F223 T231 W254F223-P252 HydrophobicContact CZ-CG 4.41Å; T231-P252 PolarHBondContact OG1-O 2.77Å; P252-W254 HydrophobicContact CB-CD2 4.43Å; P252-W254 HydrophobicContact CB-CE3 4.08Å; P252-W254 HydrophobicContact CB-CH2 3.48Å; P252-W254 VanDerWaalsContact CB-CH2 3.48Å; P252-W254 HydrophobicContact CB-CZ2 3.81Å; P252-W254 HydrophobicContact CB-CZ3 3.62Å; P252-W254 HydrophobicContact CG-CH2 3.53Å; P252-W254 HydrophobicContact CG-CZ2 4.16Å; P252-W254 HydrophobicContact CG-CZ3 3.89Å
253I91.8Very high89.7Confident137 Ų13789.4 Ų89.470%0.70344%0.443SS*.  trans-98.3103.5-179.3-56.7178.4000109R255I253-R255 HydrophobicContact CG2-CG 4.45Å
254W94.6Very high89.6Confident53 Ų5390.4 Ų90.420%0.20145%0.449CS..  trans-94.5127.6166.8-68-78.1000109.4F223 F226 R227 G230 T231 P252F223-W254 HydrophobicContact CB-CH2 4.05Å; F223-W254 HydrophobicContact CB-CZ3 4.35Å; F223-W254 HydrophobicContact CD1-CH2 4.26Å; F223-W254 HydrophobicContact CD1-CZ3 4.13Å; F223-W254 HydrophobicContact CG-CH2 4.09Å; F223-W254 HydrophobicContact CG-CZ3 4.36Å; F226-W254 HydrophobicContact CB-CE3 3.58Å; F226-W254 HydrophobicContact CB-CZ3 3.91Å; F226-W254 HydrophobicContact CD2-CZ3 4.47Å; F226-W254 WeakPolarHBondContact O-CB 3.46Å; R227-W254 HydrophobicContact CB-CD2 4.22Å; R227-W254 HydrophobicContact CB-CG 4.46Å; G230-W254 CarbonylContact C-O 3.56Å; G230-W254 WeakPolarHBondContact CA-O 3.26Å; T231-W254 PolarHBondContact N-O 3.41Å; T231-W254 PolarHBondContact OG1-N 2.94Å; P252-W254 HydrophobicContact CB-CD2 4.43Å; P252-W254 HydrophobicContact CB-CE3 4.08Å; P252-W254 HydrophobicContact CB-CH2 3.48Å; P252-W254 VanDerWaalsContact CB-CH2 3.48Å; P252-W254 HydrophobicContact CB-CZ2 3.81Å; P252-W254 HydrophobicContact CB-CZ3 3.62Å; P252-W254 HydrophobicContact CG-CH2 3.53Å; P252-W254 HydrophobicContact CG-CZ2 4.16Å; P252-W254 HydrophobicContact CG-CZ3 3.89Å
255R90Very high89.8Confident207 Ų20786.7 Ų86.778%0.78142%0.424SS*.  trans-97.4141.4179.1-63.1-177.3-176.9152.90.6110.3I253I253-R255 HydrophobicContact CG2-CG 4.45Å
256N89.7Confident89.9Confident135 Ų13584.5 Ų84.572%0.72242%0.423SS*.SBendtrans63.4145.7175.7-51-31.3000114
257S93.8Very high90Very high55 Ų5591 Ų9139%0.38545%0.452SS..  trans-71135.2170.3-179.40000110.2L228 L259L228-S257 CarbonylContact O-C 3.54Å; S257-L259 WeakPolarHBondContact OG-CB 3.26Å; S257-L259 PolarHBondContact OG-N 3.49Å
258K95.6Very high90.4Very high98 Ų9887.2 Ų87.243%0.42644%0.439SS..  trans-102.50.3173.7-59.9-177.7-178.8-179.70112.4L228 S260 I261 Q262L228-K258 HydrophobicContact CD1-CB 4.25Å; L228-K258 PolarHBondContact O-N 2.89Å; K258-S260 VanDerWaalsContact C-N 3.31Å; K258-S260 PolarHBondContact O-N 3.06Å; K258-I261 HydrophobicContact CB-CD1 4.27Å; K258-I261 HydrophobicContact CB-CG1 4.08Å; K258-I261 HydrophobicContact CG-CD1 4.34Å; K258-I261 WeakPolarHBondContact O-CG1 3.42Å; K258-I261 PolarHBondContact O-N 3.3Å; K258-I261 VanDerWaalsContact O-N 3.14Å; K258-Q262 PolarHBondContact O-N 3.12Å; K258-Q262 VanDerWaalsContact O-N 3.12Å
259L96.1Very high91.5Very high1 Ų181.4 Ų81.41%0.00541%0.414CS..G310 helixtrans-54.6-45.3-173.6-175.267.3000112.5L212 L228 L229 S257 I261 I265 L277 Q278 L281L212-L259 HydrophobicContact CD1-CD1 4.36Å; L228-L259 HydrophobicContact CD2-CD1 3.71Å; L228-L259 HydrophobicContact CG-CB 4.46Å; L228-L259 HydrophobicContact CG-CD1 4.2Å; L229-L259 HydrophobicContact CD2-CB 4Å; L229-L259 HydrophobicContact CD2-CD2 4.06Å; L229-L259 HydrophobicContact CD2-CG 4.44Å; S257-L259 WeakPolarHBondContact OG-CB 3.26Å; S257-L259 PolarHBondContact OG-N 3.49Å; L259-I261 VanDerWaalsContact C-N 3.34Å; L259-I261 PolarHBondContact O-N 3.49Å; L259-I265 HydrophobicContact CD1-CG1 4.39Å; L259-I265 HydrophobicContact CD1-CG2 4.48Å; L259-I265 WeakPolarHBondContact O-CG2 3.3Å; L259-L277 HydrophobicContact CD1-CD2 4.25Å; L259-L277 HydrophobicContact CD2-CD2 4.23Å; L259-L277 HydrophobicContact CD2-CG 4.25Å; L259-L277 HydrophobicContact CG-CD2 4.47Å; L259-Q278 HydrophobicContact CD2-CG 3.88Å; L259-L281 HydrophobicContact CD1-CD1 4.49Å; L259-L281 HydrophobicContact CD2-CD1 4.01Å
260S93.9Very high92.6Very high49 Ų4974 Ų7434%0.34339%0.389SS..G310 helixtrans-73.6-21.8-177.652.20000114.7K258K258-S260 VanDerWaalsContact C-N 3.31Å; K258-S260 PolarHBondContact O-N 3.06Å
261I93.6Very high93.4Very high122 Ų12275.7 Ų75.763%0.62640%0.401SS*.G310 helixtrans-102.7-1.3-176.962.7167.9000112.6K258 L259 D263K258-I261 HydrophobicContact CB-CD1 4.27Å; K258-I261 HydrophobicContact CB-CG1 4.08Å; K258-I261 HydrophobicContact CG-CD1 4.34Å; K258-I261 WeakPolarHBondContact O-CG1 3.42Å; K258-I261 PolarHBondContact O-N 3.3Å; K258-I261 VanDerWaalsContact O-N 3.14Å; L259-I261 VanDerWaalsContact C-N 3.34Å; L259-I261 PolarHBondContact O-N 3.49Å; I261-D263 PolarHBondContact O-N 3.18Å
262Q93.6Very high93.8Very high68 Ų6877.4 Ų77.432%0.31841%0.414SS..  trans-73.8119.9177.2-162.9-176.1-27.900109.5K258 N264 I265 A266K258-Q262 PolarHBondContact O-N 3.12Å; K258-Q262 VanDerWaalsContact O-N 3.12Å; Q262-N264 VanDerWaalsContact C-N 3.31Å; Q262-N264 VanDerWaalsContact CD-OD1 3.23Å; Q262-N264 WeakPolarHBondContact CG-OD1 3.49Å; Q262-N264 PolarHBondContact NE2-OD1 3.45Å; Q262-N264 PolarHBondContact O-N 3.39Å; Q262-N264 VanDerWaalsContact O-N 3.13Å; Q262-I265 HydrophobicContact CB-CB 4.29Å; Q262-I265 HydrophobicContact CB-CG1 4.15Å; Q262-I265 PolarHBondContact O-N 3.02Å; Q262-A266 PolarHBondContact O-N 3.46Å
263D92.5Very high94.1Very high114 Ų11474.8 Ų74.861%0.6140%0.397SS*.Hα-helixtrans-49.3-43.9-171.2-81.64.4000115I261 K267I261-D263 PolarHBondContact O-N 3.18Å; D263-K267 WeakPolarHBondContact O-CB 3.31Å; D263-K267 WeakPolarHBondContact O-CD 3.27Å; D263-K267 WeakPolarHBondContact O-CG 3.34Å; D263-K267 PolarHBondContact O-N 3.43Å; D263-K267 VanDerWaalsContact O-N 3.11Å
264N92.6Very high94.4Very high49 Ų4969.6 Ų69.626%0.26237%0.37SS..Hα-helixtrans-69.4-36.9-179.763.4-25.4000112E210 Q262 A268E210-N264 PolarHBondContact OE2-ND2 2.93Å; Q262-N264 VanDerWaalsContact C-N 3.31Å; Q262-N264 VanDerWaalsContact CD-OD1 3.23Å; Q262-N264 WeakPolarHBondContact CG-OD1 3.49Å; Q262-N264 PolarHBondContact NE2-OD1 3.45Å; Q262-N264 PolarHBondContact O-N 3.39Å; Q262-N264 VanDerWaalsContact O-N 3.13Å; N264-A268 WeakPolarHBondContact O-CB 3.38Å; N264-A268 PolarHBondContact O-N 2.93Å
265I95.2Very high94.6Very high1 Ų171 Ų711%0.00538%0.382CS..Hα-helixtrans-70.2-50.4175.4-60.2-69.8000110.1S204 T208 L212 L259 Q262 K267 A268 F269 L274 L277S204-I265 VanDerWaalsContact OG-CD1 3.24Å; S204-I265 WeakPolarHBondContact OG-CD1 3.4Å; T208-I265 HydrophobicContact CG2-CD1 3.79Å; L212-I265 HydrophobicContact CD1-CD1 4.19Å; L259-I265 HydrophobicContact CD1-CG1 4.39Å; L259-I265 HydrophobicContact CD1-CG2 4.48Å; L259-I265 WeakPolarHBondContact O-CG2 3.3Å; Q262-I265 HydrophobicContact CB-CB 4.29Å; Q262-I265 HydrophobicContact CB-CG1 4.15Å; Q262-I265 PolarHBondContact O-N 3.02Å; I265-K267 PolarHBondContact O-N 3.24Å; I265-A268 PolarHBondContact O-N 3.28Å; I265-F269 HydrophobicContact CD1-CE2 4.25Å; I265-F269 HydrophobicContact CG2-CD2 3.91Å; I265-F269 HydrophobicContact CG2-CE2 4.36Å; I265-F269 WeakPolarHBondContact O-CD2 3.18Å; I265-F269 PolarHBondContact O-N 3.38Å; I265-L274 HydrophobicContact CG2-CD1 3.81Å; I265-L277 HydrophobicContact CG2-CD2 4.34Å
266A93.6Very high95Very high53 Ų5361.1 Ų61.144%0.43834%0.344SS..Hα-helixtrans-59.3-32.4-178.700000112.8Q262Q262-A266 PolarHBondContact O-N 3.46Å
267K93Very high95.5Very high165 Ų16554.7 Ų54.772%0.71731%0.31SS*.Hα-helixtrans-79.3-31.8175.2-71.4169.8-173.5167.80113.5D263 I265D263-K267 WeakPolarHBondContact O-CB 3.31Å; D263-K267 WeakPolarHBondContact O-CD 3.27Å; D263-K267 WeakPolarHBondContact O-CG 3.34Å; D263-K267 PolarHBondContact O-N 3.43Å; D263-K267 VanDerWaalsContact O-N 3.11Å; I265-K267 PolarHBondContact O-N 3.24Å
268A93.9Very high95.7Very high28 Ų2855.5 Ų55.523%0.23131%0.308CS..Hα-helixtrans-83.7-23.9-175.300000113.3L107 S207 T208 N264 I265L107-A268 HydrophobicContact CD1-CB 4.31Å; S207-A268 WeakPolarHBondContact O-CB 3.42Å; T208-A268 HydrophobicContact CG2-CB 3.9Å; N264-A268 WeakPolarHBondContact O-CB 3.38Å; N264-A268 PolarHBondContact O-N 2.93Å; I265-A268 PolarHBondContact O-N 3.28Å
269F95.9Very high95.8Very high22 Ų2251.8 Ų51.810%0.09630%0.296CS..  trans-111.7137.1-173.2-74.4-96000113F203 S207 T208 I265 L274 L277F203-F269 AromaticContact CD1-CE1 3.92Å; F203-F269 HydrophobicContact CD1-CE1 3.92Å; F203-F269 AromaticContact CD2-CE1 3.84Å; F203-F269 HydrophobicContact CD2-CE1 3.84Å; F203-F269 HydrophobicContact CD2-CZ 4.11Å; F203-F269 HydrophobicContact CE1-CD1 4.35Å; F203-F269 AromaticContact CE1-CE1 3.61Å; F203-F269 HydrophobicContact CE1-CE1 3.61Å; F203-F269 HydrophobicContact CE2-CD1 4.35Å; F203-F269 AromaticContact CE2-CE1 3.51Å; F203-F269 HydrophobicContact CE2-CE1 3.51Å; F203-F269 HydrophobicContact CE2-CZ 4.17Å; F203-F269 HydrophobicContact CG-CE1 4.04Å; F203-F269 HydrophobicContact CG-CZ 4.28Å; F203-F269 HydrophobicContact CZ-CD1 4.01Å; F203-F269 AromaticContact CZ-CE1 3.4Å; F203-F269 HydrophobicContact CZ-CE1 3.4Å; F203-F269 VanDerWaalsContact CZ-CE1 3.4Å; F203-F269 HydrophobicContact CZ-CZ 4.43Å; S207-F269 VanDerWaalsContact CB-CE2 3.43Å; S207-F269 VanDerWaalsContact CB-CZ 3.47Å; S207-F269 VanDerWaalsContact OG-CZ 3.24Å; S207-F269 WeakPolarHBondContact OG-CZ 3.49Å; T208-F269 HydrophobicContact CG2-CE2 4.5Å; I265-F269 HydrophobicContact CD1-CE2 4.25Å; I265-F269 HydrophobicContact CG2-CD2 3.91Å; I265-F269 HydrophobicContact CG2-CE2 4.36Å; I265-F269 WeakPolarHBondContact O-CD2 3.18Å; I265-F269 PolarHBondContact O-N 3.38Å; F269-L274 HydrophobicContact CB-CB 4.07Å; F269-L277 HydrophobicContact CE1-CB 4.18Å; F269-L277 HydrophobicContact CE1-CD2 4.07Å; F269-L277 HydrophobicContact CE2-CD2 4Å; F269-L277 HydrophobicContact CZ-CD2 3.75Å
270S95.5Very high95.9Very high61 Ų6151.8 Ų51.843%0.42730%0.295SS..  trans-72163.5159.662.80000110.3G273 L274S270-G273 PolarHBondContact O-N 3.5Å; S270-G273 PolarHBondContact OG-N 2.86Å; S270-L274 PolarHBondContact O-N 3.32Å
271S96.7Very high96.2Very high102 Ų10249.8 Ų49.871%0.71328%0.281SS*.Hα-helixtrans-54.5-47.51781670000113.2G273 L274 D275S271-G273 VanDerWaalsContact C-N 3.29Å; S271-G273 PolarHBondContact O-N 3.07Å; S271-L274 PolarHBondContact O-N 2.84Å; S271-D275 WeakPolarHBondContact O-CB 3.48Å; S271-D275 PolarHBondContact O-N 3.27Å
272P97.8Very high96.4Very high50 Ų5046.5 Ų46.533%0.32526%0.264SS..Hα-helixtrans-64.5-30.8175.1-23.434.5000113.8L276 H297 Y299P272-L276 PolarHBondContact O-N 3.23Å; P272-L276 VanDerWaalsContact O-N 3.12Å; P272-H297 PolarHBondContact O-CE1 2.96Å; P272-Y299 HydrophobicContact CB-CD2 4.4Å
273G97.8Very high96.6Very high0 Ų043.8 Ų43.80%025%0.251CS..Hα-helixtrans-71-41.6177.400000112F203 S270 S271 D275 L276 L277F203-G273 WeakPolarHBondContact CE1-O 2.97Å; S270-G273 PolarHBondContact O-N 3.5Å; S270-G273 PolarHBondContact OG-N 2.86Å; S271-G273 VanDerWaalsContact C-N 3.29Å; S271-G273 PolarHBondContact O-N 3.07Å; G273-D275 VanDerWaalsContact C-N 3.35Å; G273-L276 PolarHBondContact O-N 3.31Å; G273-L277 PolarHBondContact O-N 2.8Å
274L97.9Very high96.8Very high28 Ų2840.1 Ų40.115%0.14723%0.23CC..Hα-helixtrans-66.1-39.5176.7-179.860.1000111.6I265 F269 S270 S271 L277 Q278I265-L274 HydrophobicContact CG2-CD1 3.81Å; F269-L274 HydrophobicContact CB-CB 4.07Å; S270-L274 PolarHBondContact O-N 3.32Å; S271-L274 PolarHBondContact O-N 2.84Å; L274-L277 PolarHBondContact O-N 2.82Å; L274-Q278 WeakPolarHBondContact O-CB 3.47Å; L274-Q278 WeakPolarHBondContact O-CG 3.12Å; L274-Q278 PolarHBondContact O-N 3.26Å
275D98.3Very high96.9Very high82 Ų8239.3 Ų39.344%0.43923%0.228SC..Hα-helixtrans-60.1-47.1174.2-174.455.7000111.3S271 G273 L277 Q278 A279 H297S271-D275 WeakPolarHBondContact O-CB 3.48Å; S271-D275 PolarHBondContact O-N 3.27Å; G273-D275 VanDerWaalsContact C-N 3.35Å; D275-L277 PolarHBondContact O-N 3.37Å; D275-Q278 WeakPolarHBondContact O-CB 3.21Å; D275-Q278 PolarHBondContact O-N 3.37Å; D275-A279 PolarHBondContact O-N 3.02Å; D275-H297 IonicContact OD2-CE1 2.92Å; D275-H297 PolarHBondContact OD2-CE1 3.4Å; D275-H297 VanDerWaalsContact OD2-CE1 3.3Å; D275-H297 IonicContact OD2-NE2 3.95Å; D275-H297 PolarHBondContact OD2-NE2 3.02Å
276L98.7Very high96.8Very high0 Ų043.6 Ų43.60%026%0.258CS..Hα-helixtrans-60.1-44.7174.1-178.856.6000112.2F203 P272 G273 Q278 A279 M280 I289 A294 H297 Y299 F300F203-L276 HydrophobicContact CE1-CB 4.23Å; F203-L276 HydrophobicContact CE1-CD2 3.98Å; F203-L276 HydrophobicContact CE1-CG 4.12Å; P272-L276 PolarHBondContact O-N 3.23Å; P272-L276 VanDerWaalsContact O-N 3.12Å; G273-L276 PolarHBondContact O-N 3.31Å; L276-Q278 VanDerWaalsContact C-N 3.32Å; L276-Q278 PolarHBondContact O-N 3.17Å; L276-A279 PolarHBondContact O-N 3.05Å; L276-M280 HydrophobicContact CD1-CE 3.85Å; L276-M280 HydrophobicContact CD2-CE 4.1Å; L276-M280 HydrophobicContact CG-CE 3.85Å; L276-M280 WeakPolarHBondContact O-CG 3.44Å; L276-M280 PolarHBondContact O-N 3.26Å; L276-I289 HydrophobicContact CD1-CD1 3.95Å; L276-A294 HydrophobicContact CD1-CB 3.97Å; L276-H297 HydrophobicContact CD1-CB 3.96Å; L276-H297 HydrophobicContact CD2-CB 4.44Å; L276-H297 PolarHBondContact N-CE1 3.35Å; L276-Y299 HydrophobicContact CD2-CD1 3.71Å; L276-Y299 HydrophobicContact CD2-CG 4.21Å; L276-F300 HydrophobicContact CD2-CE2 3.64Å; L276-F300 HydrophobicContact CD2-CZ 3.86Å
277L98.7Very high97Very high0 Ų048.6 Ų48.60%027%0.265CS..Hα-helixtrans-60.6-42.8177.9179.165.2000111.4G200 F203 L259 I265 F269 G273 L274 D275 A279 M280 L281G200-L277 WeakPolarHBondContact O-CD1 3.44Å; F203-L277 HydrophobicContact CB-CD1 4.34Å; F203-L277 HydrophobicContact CD1-CB 4.19Å; F203-L277 HydrophobicContact CD1-CD1 4.22Å; F203-L277 HydrophobicContact CE1-CB 4.35Å; L259-L277 HydrophobicContact CD1-CD2 4.25Å; L259-L277 HydrophobicContact CD2-CD2 4.23Å; L259-L277 HydrophobicContact CD2-CG 4.25Å; L259-L277 HydrophobicContact CG-CD2 4.47Å; I265-L277 HydrophobicContact CG2-CD2 4.34Å; F269-L277 HydrophobicContact CE1-CB 4.18Å; F269-L277 HydrophobicContact CE1-CD2 4.07Å; F269-L277 HydrophobicContact CE2-CD2 4Å; F269-L277 HydrophobicContact CZ-CD2 3.75Å; G273-L277 PolarHBondContact O-N 2.8Å; L274-L277 PolarHBondContact O-N 2.82Å; D275-L277 PolarHBondContact O-N 3.37Å; L277-A279 VanDerWaalsContact C-N 3.35Å; L277-M280 PolarHBondContact O-N 2.91Å; L277-L281 HydrophobicContact CD1-CD1 3.81Å; L277-L281 HydrophobicContact CD1-CG 4.27Å; L277-L281 HydrophobicContact CG-CD1 4.03Å; L277-L281 WeakPolarHBondContact O-CG 3.4Å; L277-L281 PolarHBondContact O-N 2.87Å; L277-L281 VanDerWaalsContact O-N 3.1Å
278Q98.3Very high97.3Very high73 Ų7341.2 Ų41.234%0.34123%0.233SC..Hα-helixtrans-61.6-43.4175.8-76.5174.6-13.500111.4L259 L274 D275 L276 M280 L281 I282L259-Q278 HydrophobicContact CD2-CG 3.88Å; L274-Q278 WeakPolarHBondContact O-CB 3.47Å; L274-Q278 WeakPolarHBondContact O-CG 3.12Å; L274-Q278 PolarHBondContact O-N 3.26Å; D275-Q278 WeakPolarHBondContact O-CB 3.21Å; D275-Q278 PolarHBondContact O-N 3.37Å; L276-Q278 VanDerWaalsContact C-N 3.32Å; L276-Q278 PolarHBondContact O-N 3.17Å; Q278-M280 VanDerWaalsContact C-N 3.28Å; Q278-M280 PolarHBondContact O-N 3.45Å; Q278-L281 CarbonylContact O-C 3.59Å; Q278-L281 PolarHBondContact O-N 3.06Å; Q278-L281 VanDerWaalsContact O-N 3.13Å; Q278-I282 WeakPolarHBondContact O-CG1 3.43Å; Q278-I282 PolarHBondContact O-N 3.22Å
279A98.6Very high97.5Very high20 Ų2041 Ų4117%0.16523%0.228CC..Hα-helixtrans-63.9-32177.800000113D275 L276 L277 I289D275-A279 PolarHBondContact O-N 3.02Å; L276-A279 PolarHBondContact O-N 3.05Å; L277-A279 VanDerWaalsContact C-N 3.35Å; A279-I289 HydrophobicContact CB-CB 3.94Å; A279-I289 HydrophobicContact CB-CD1 4.1Å; A279-I289 HydrophobicContact CB-CG2 4.03Å; A279-I289 PolarHBondContact O-N 2.76Å; A279-I289 VanDerWaalsContact O-N 3.13Å
280M98.8Very high97.6Very high0 Ų043.1 Ų43.10%024%0.243CC..Hα-helixtrans-74.2-27.4173.6-68.7-178.7175.800113.6M117 L121 I196 F203 L276 L277 Q278 R288 I289 A294M117-M280 HydrophobicContact CE-CE 4.34Å; L121-M280 HydrophobicContact CD1-CE 3.9Å; L121-M280 HydrophobicContact CD2-CE 3.94Å; L121-M280 HydrophobicContact CG-CE 4.38Å; I196-M280 HydrophobicContact CG2-CB 4.03Å; I196-M280 HydrophobicContact CG2-CG 3.93Å; F203-M280 HydrophobicContact CD1-SD 4.25Å; L276-M280 HydrophobicContact CD1-CE 3.85Å; L276-M280 HydrophobicContact CD2-CE 4.1Å; L276-M280 HydrophobicContact CG-CE 3.85Å; L276-M280 WeakPolarHBondContact O-CG 3.44Å; L276-M280 PolarHBondContact O-N 3.26Å; L277-M280 PolarHBondContact O-N 2.91Å; Q278-M280 VanDerWaalsContact C-N 3.28Å; Q278-M280 PolarHBondContact O-N 3.45Å; M280-R288 WeakPolarHBondContact O-CD 3.39Å; M280-R288 VanDerWaalsContact O-CG 3.3Å; M280-R288 WeakPolarHBondContact O-CG 3.49Å; M280-I289 HydrophobicContact CB-CG2 4.44Å; M280-I289 HydrophobicContact CG-CG2 3.76Å; M280-A294 HydrophobicContact CE-CB 4.12Å
281L98.7Very high97.6Very high7 Ų740.3 Ų40.34%0.03722%0.223CC..THydrogen-bonded Turntrans-103.521-175.6-63.3178.5000113.4W197 L212 F213 L229 L259 L277 Q278 Y283W197-L281 HydrophobicContact CD2-CD2 3.94Å; W197-L281 HydrophobicContact CE3-CD2 3.99Å; W197-L281 HydrophobicContact CH2-CD2 4.34Å; W197-L281 HydrophobicContact CZ2-CD2 4.27Å; W197-L281 HydrophobicContact CZ3-CB 4.25Å; W197-L281 HydrophobicContact CZ3-CD2 4.2Å; W197-L281 WeakPolarHBondContact CZ3-O 3.24Å; L212-L281 HydrophobicContact CD2-CD1 3.61Å; F213-L281 HydrophobicContact CE2-CD2 4.45Å; L229-L281 HydrophobicContact CD1-CB 4.24Å; L259-L281 HydrophobicContact CD1-CD1 4.49Å; L259-L281 HydrophobicContact CD2-CD1 4.01Å; L277-L281 HydrophobicContact CD1-CD1 3.81Å; L277-L281 HydrophobicContact CD1-CG 4.27Å; L277-L281 HydrophobicContact CG-CD1 4.03Å; L277-L281 WeakPolarHBondContact O-CG 3.4Å; L277-L281 PolarHBondContact O-N 2.87Å; L277-L281 VanDerWaalsContact O-N 3.1Å; Q278-L281 CarbonylContact O-C 3.59Å; Q278-L281 PolarHBondContact O-N 3.06Å; Q278-L281 VanDerWaalsContact O-N 3.13Å; L281-Y283 PolarHBondContact O-N 2.73Å
282I98.3Very high97.5Very high54 Ų5439.2 Ų39.228%0.27720%0.203SC..  trans-64.1133.8170.7-68.7174.5000109.8Q278 R287 R288Q278-I282 WeakPolarHBondContact O-CG1 3.43Å; Q278-I282 PolarHBondContact O-N 3.22Å; I282-R287 WeakPolarHBondContact CD1-O 3.33Å; I282-R287 HydrophobicContact CG2-CB 3.94Å; I282-R288 HydrophobicContact CB-CB 4.34Å; I282-R288 PolarHBondContact O-NE 3.09Å; I282-R288 PolarHBondContact O-NH2 3.09Å
283Y97.8Very high97.4Very high10 Ų1040.5 Ų40.54%0.03921%0.208CC..SBendtrans-60.1-57.3178.1-84-62.8000112.5P181 I225 F226 L229 G230 P232 V236 W237 L281 P285 R288P181-Y283 HydrophobicContact CB-CD1 4.21Å; P181-Y283 HydrophobicContact CB-CE1 4.27Å; P181-Y283 HydrophobicContact CG-CD1 3.91Å; P181-Y283 HydrophobicContact CG-CE1 4.29Å; I225-Y283 HydrophobicContact CG2-CE1 3.83Å; I225-Y283 WeakPolarHBondContact CG2-OH 3.34Å; F226-Y283 HydrophobicContact CD1-CE1 4.29Å; F226-Y283 WeakPolarHBondContact CD1-OH 3.33Å; F226-Y283 HydrophobicContact CE1-CE1 4.22Å; L229-Y283 HydrophobicContact CB-CE2 3.85Å; L229-Y283 WeakPolarHBondContact CB-OH 3.45Å; G230-Y283 WeakPolarHBondContact O-CE2 3.1Å; G230-Y283 PolarHBondContact O-OH 3.41Å; P232-Y283 HydrophobicContact CB-CD1 4.2Å; P232-Y283 HydrophobicContact CB-CD2 4.09Å; P232-Y283 HydrophobicContact CB-CE1 4.35Å; P232-Y283 HydrophobicContact CB-CE2 4.23Å; P232-Y283 HydrophobicContact CB-CG 4.08Å; P232-Y283 HydrophobicContact CG-CD1 4.31Å; P232-Y283 HydrophobicContact CG-CE1 4.13Å; V236-Y283 HydrophobicContact CG1-CD2 3.93Å; W237-Y283 HydrophobicContact CE3-CD1 4.08Å; W237-Y283 HydrophobicContact CE3-CG 4.25Å; W237-Y283 HydrophobicContact CZ3-CD1 4.2Å; L281-Y283 PolarHBondContact O-N 2.73Å; Y283-P285 VanDerWaalsContact O-CD 3.24Å; Y283-P285 WeakPolarHBondContact O-CD 3.4Å; Y283-R288 PolarHBondContact O-NH2 2.83Å
284E96.2Very high97.4Very high37 Ų3740.5 Ų40.517%0.17321%0.208CC..SBendtrans-66.7115.7-176.2-165.9-172.8162.600110.8W237 P238 S286 R287 R288W237-E284 HydrophobicContact CB-CB 4.46Å; W237-E284 HydrophobicContact CG-CB 4.21Å; W237-E284 HydrophobicContact CG-CG 4.48Å; P238-E284 WeakPolarHBondContact CD-OE2 3.45Å; E284-S286 VanDerWaalsContact CG-OG 3.28Å; E284-S286 WeakPolarHBondContact CG-OG 3.35Å; E284-S286 PolarHBondContact O-N 3.18Å; E284-S286 VanDerWaalsContact O-N 3.17Å; E284-S286 PolarHBondContact OE1-OG 2.67Å; E284-R287 HydrophobicContact CB-CB 4.36Å; E284-R287 HydrophobicContact CB-CG 4.41Å; E284-R287 HydrophobicContact CG-CG 4.46Å; E284-R287 PolarHBondContact O-N 3.17Å; E284-R287 WeakPolarHBondContact OE2-CD 3.5Å; E284-R288 PolarHBondContact O-N 3.34Å
285P95.1Very high97.4Very high32 Ų3239.2 Ų39.221%0.20820%0.201CC..THydrogen-bonded Turntrans-61.7-28.9-172.4-2736.6000114.7E182 A193 W237 Y283 R287E182-P285 HydrophobicContact CB-CG 4.09Å; E182-P285 HydrophobicContact CG-CG 3.96Å; A193-P285 HydrophobicContact CB-CB 3.86Å; A193-P285 WeakPolarHBondContact CB-O 3.49Å; W237-P285 HydrophobicContact CZ2-CG 4.35Å; Y283-P285 VanDerWaalsContact O-CD 3.24Å; Y283-P285 WeakPolarHBondContact O-CD 3.4Å; P285-R287 VanDerWaalsContact C-N 3.32Å
286S94.4Very high97.2Very high92 Ų9238.7 Ų38.764%0.64320%0.198SC*.THydrogen-bonded Turntrans-71.1-24.1177.954.40000113.3E284E284-S286 VanDerWaalsContact CG-OG 3.28Å; E284-S286 WeakPolarHBondContact CG-OG 3.35Å; E284-S286 PolarHBondContact O-N 3.18Å; E284-S286 VanDerWaalsContact O-N 3.17Å; E284-S286 PolarHBondContact OE1-OG 2.67Å
287R97.2Very high97.2Very high158 Ų15839.6 Ų39.660%0.59620%0.202SC*.THydrogen-bonded Turntrans-100.8-12.3-178.7-65.9-177.166.5-172.3-0.3113.1I282 E284 P285I282-R287 WeakPolarHBondContact CD1-O 3.33Å; I282-R287 HydrophobicContact CG2-CB 3.94Å; E284-R287 HydrophobicContact CB-CB 4.36Å; E284-R287 HydrophobicContact CB-CG 4.41Å; E284-R287 HydrophobicContact CG-CG 4.46Å; E284-R287 PolarHBondContact O-N 3.17Å; E284-R287 WeakPolarHBondContact OE2-CD 3.5Å; P285-R287 VanDerWaalsContact C-N 3.32Å
288R98.1Very high97.1Very high9 Ų943.4 Ų43.43%0.03423%0.227CC..SBendtrans-64.5135.4175.9-164.5179.4-62.7146.56109.5E182 A193 I196 M280 I282 Y283 E284E182-R288 IonicContact OE1-CZ 2.89Å; E182-R288 IonicContact OE1-NH1 3.88Å; E182-R288 PolarHBondContact OE1-NH1 3.43Å; E182-R288 IonicContact OE1-NH2 2.6Å; E182-R288 PolarHBondContact OE1-NH2 3.3Å; E182-R288 IonicContact OE2-CZ 2.94Å; E182-R288 IonicContact OE2-NH1 3.81Å; E182-R288 IonicContact OE2-NH2 3.8Å; E182-R288 PolarHBondContact OE2-NH2 3.25Å; A193-R288 WeakPolarHBondContact O-CD 3.46Å; A193-R288 PolarHBondContact O-NH1 3.13Å; I196-R288 HydrophobicContact CB-CG 4.4Å; I196-R288 HydrophobicContact CG2-CG 3.93Å; M280-R288 WeakPolarHBondContact O-CD 3.39Å; M280-R288 VanDerWaalsContact O-CG 3.3Å; M280-R288 WeakPolarHBondContact O-CG 3.49Å; I282-R288 HydrophobicContact CB-CB 4.34Å; I282-R288 PolarHBondContact O-NE 3.09Å; I282-R288 PolarHBondContact O-NH2 3.09Å; Y283-R288 PolarHBondContact O-NH2 2.83Å; E284-R288 PolarHBondContact O-N 3.34Å
289I98.6Very high97.1Very high25 Ų2540.6 Ų40.613%0.12821%0.213CC..PPolyproline II helixtrans-55.1142.1-177-163.7169.3000111.2I196 L276 A279 M280 D293 A294I196-I289 WeakPolarHBondContact CG1-O 3.49Å; I196-I289 HydrophobicContact CG2-CG2 4.02Å; I196-I289 WeakPolarHBondContact CG2-O 3.15Å; L276-I289 HydrophobicContact CD1-CD1 3.95Å; A279-I289 HydrophobicContact CB-CB 3.94Å; A279-I289 HydrophobicContact CB-CD1 4.1Å; A279-I289 HydrophobicContact CB-CG2 4.03Å; A279-I289 PolarHBondContact O-N 2.76Å; A279-I289 VanDerWaalsContact O-N 3.13Å; M280-I289 HydrophobicContact CB-CG2 4.44Å; M280-I289 HydrophobicContact CG-CG2 3.76Å; I289-D293 HydrophobicContact CD1-CB 4.2Å; I289-D293 HydrophobicContact CG1-CB 3.68Å; I289-A294 HydrophobicContact CD1-CB 4.04Å; I289-A294 HydrophobicContact CG1-CB 4.27Å; I289-A294 HydrophobicContact CG2-CB 4.36Å
290T97.3Very high97Very high66 Ų6639.8 Ų39.841%0.40521%0.206SC..PPolyproline II helixtrans-81.4162.6174.673.20000110.9R292 D293 A294T290-R292 PolarHBondContact O-N 2.97Å; T290-R292 PolarHBondContact OG1-N 2.64Å; T290-D293 PolarHBondContact O-N 2.9Å; T290-D293 PolarHBondContact OG1-N 2.98Å; T290-D293 VanDerWaalsContact OG1-N 3.12Å; T290-D293 PolarHBondContact OG1-OD2 3.07Å; T290-A294 VanDerWaalsContact O-CB 3.25Å; T290-A294 WeakPolarHBondContact O-CB 3.37Å; T290-A294 PolarHBondContact O-N 3.46Å
291A96.7Very high96.7Very high2 Ų244.5 Ų44.52%0.01724%0.239CC..Hα-helixtrans-58.5-35.217400000111.9L121 L125 I196 L295L121-A291 HydrophobicContact CD2-CB 4.44Å; L125-A291 HydrophobicContact CB-CB 4.01Å; I196-A291 HydrophobicContact CD1-CB 3.91Å; A291-L295 WeakPolarHBondContact O-CG 3.24Å; A291-L295 PolarHBondContact O-N 3.19Å; A291-L295 VanDerWaalsContact O-N 3.15Å
292R94.1Very high96.5Very high78 Ų7849.4 Ų49.429%0.29427%0.265SS..Hα-helixtrans-64.3-54.2176.8-175.4-175-61.9-166.5-3.1111.2L125 T290 A294 L295 L296 I316 G317L125-R292 HydrophobicContact CD1-CB 3.94Å; T290-R292 PolarHBondContact O-N 2.97Å; T290-R292 PolarHBondContact OG1-N 2.64Å; R292-A294 PolarHBondContact O-N 3.36Å; R292-L295 WeakPolarHBondContact O-CB 3.04Å; R292-L295 PolarHBondContact O-N 3.14Å; R292-L295 VanDerWaalsContact O-N 3.09Å; R292-L296 PolarHBondContact O-N 3.46Å; R292-I316 PolarHBondContact NE-O 3.36Å; R292-I316 VanDerWaalsContact NE-O 3.15Å; R292-I316 PolarHBondContact NH1-O 3.39Å; R292-I316 PolarHBondContact NH2-O 3.42Å; R292-G317 PolarHBondContact NH1-O 3.49Å
293D96.1Very high96.2Very high78 Ų7848.1 Ų48.142%0.41726%0.258SS..Hα-helixtrans-65.9-33.4-177.4-54.6-38.5000111I289 T290 L295 L296 H297I289-D293 HydrophobicContact CD1-CB 4.2Å; I289-D293 HydrophobicContact CG1-CB 3.68Å; T290-D293 PolarHBondContact O-N 2.9Å; T290-D293 PolarHBondContact OG1-N 2.98Å; T290-D293 VanDerWaalsContact OG1-N 3.12Å; T290-D293 PolarHBondContact OG1-OD2 3.07Å; D293-L295 VanDerWaalsContact C-N 3.34Å; D293-L295 PolarHBondContact O-N 3.26Å; D293-L296 PolarHBondContact O-N 3.15Å; D293-H297 PolarHBondContact O-N 3.34Å
294A98.3Very high95.7Very high0 Ų049.9 Ų49.90%027%0.269CS..Hα-helixtrans-61.8-39.5173.300000112.3L121 L276 M280 I289 T290 R292 L296 H297 F300L121-A294 HydrophobicContact CD1-CB 3.77Å; L121-A294 HydrophobicContact CD2-CB 3.99Å; L276-A294 HydrophobicContact CD1-CB 3.97Å; M280-A294 HydrophobicContact CE-CB 4.12Å; I289-A294 HydrophobicContact CD1-CB 4.04Å; I289-A294 HydrophobicContact CG1-CB 4.27Å; I289-A294 HydrophobicContact CG2-CB 4.36Å; T290-A294 VanDerWaalsContact O-CB 3.25Å; T290-A294 WeakPolarHBondContact O-CB 3.37Å; T290-A294 PolarHBondContact O-N 3.46Å; R292-A294 PolarHBondContact O-N 3.36Å; A294-L296 VanDerWaalsContact C-N 3.25Å; A294-L296 PolarHBondContact O-N 3.03Å; A294-H297 WeakPolarHBondContact O-CB 3.45Å; A294-H297 PolarHBondContact O-N 2.9Å; A294-H297 VanDerWaalsContact O-N 3.15Å; A294-F300 VanDerWaalsContact O-CD2 3.23Å; A294-F300 WeakPolarHBondContact O-CD2 3.43Å; A294-F300 WeakPolarHBondContact O-CE2 3.47Å
295L96.3Very high95.2Very high1 Ų150.2 Ų50.21%0.00527%0.27CS..Hα-helixtrans-66.6-27.3176.1-73166000113Y118 L121 Q122 L125 A291 R292 D293 H297 E314Y118-L295 HydrophobicContact CD1-CD2 4.19Å; Y118-L295 HydrophobicContact CD2-CD2 3.58Å; Y118-L295 HydrophobicContact CE1-CD2 4.13Å; Y118-L295 HydrophobicContact CE2-CB 4.32Å; Y118-L295 HydrophobicContact CE2-CD2 3.53Å; Y118-L295 HydrophobicContact CG-CD2 3.94Å; L121-L295 HydrophobicContact CB-CD2 3.65Å; L121-L295 HydrophobicContact CB-CG 3.89Å; Q122-L295 HydrophobicContact CG-CD1 4.17Å; Q122-L295 HydrophobicContact CG-CD2 3.74Å; L125-L295 HydrophobicContact CB-CD1 4.25Å; L125-L295 HydrophobicContact CD2-CD1 3.66Å; A291-L295 WeakPolarHBondContact O-CG 3.24Å; A291-L295 PolarHBondContact O-N 3.19Å; A291-L295 VanDerWaalsContact O-N 3.15Å; R292-L295 WeakPolarHBondContact O-CB 3.04Å; R292-L295 PolarHBondContact O-N 3.14Å; R292-L295 VanDerWaalsContact O-N 3.09Å; D293-L295 VanDerWaalsContact C-N 3.34Å; D293-L295 PolarHBondContact O-N 3.26Å; L295-H297 VanDerWaalsContact C-N 3.29Å; L295-E314 HydrophobicContact CB-CB 3.7Å; L295-E314 HydrophobicContact CD1-CB 4.44Å
296L95.2Very high94.3Very high71 Ų7151.3 Ų51.337%0.37228%0.278SS..THydrogen-bonded Turntrans-86-1175.9-61.2173.5000113R292 D293 A294 E314 Y315 L318R292-L296 PolarHBondContact O-N 3.46Å; D293-L296 PolarHBondContact O-N 3.15Å; A294-L296 VanDerWaalsContact C-N 3.25Å; A294-L296 PolarHBondContact O-N 3.03Å; L296-E314 HydrophobicContact CD2-CB 3.99Å; L296-E314 HydrophobicContact CD2-CG 4.03Å; L296-Y315 HydrophobicContact CD2-CD1 4.33Å; L296-Y315 HydrophobicContact CD2-CE1 4.12Å; L296-L318 HydrophobicContact CD1-CD1 4.1Å
297H98Very high93.8Very high19 Ų1953.3 Ų53.39%0.08828%0.28CS..SBendtrans-64.6143.2-175.4-162.3-91.8000112.4P272 D275 L276 D293 A294 L295 Y299 F300P272-H297 PolarHBondContact O-CE1 2.96Å; D275-H297 IonicContact OD2-CE1 2.92Å; D275-H297 PolarHBondContact OD2-CE1 3.4Å; D275-H297 VanDerWaalsContact OD2-CE1 3.3Å; D275-H297 IonicContact OD2-NE2 3.95Å; D275-H297 PolarHBondContact OD2-NE2 3.02Å; L276-H297 HydrophobicContact CD1-CB 3.96Å; L276-H297 HydrophobicContact CD2-CB 4.44Å; L276-H297 PolarHBondContact N-CE1 3.35Å; D293-H297 PolarHBondContact O-N 3.34Å; A294-H297 WeakPolarHBondContact O-CB 3.45Å; A294-H297 PolarHBondContact O-N 2.9Å; A294-H297 VanDerWaalsContact O-N 3.15Å; L295-H297 VanDerWaalsContact C-N 3.29Å; H297-Y299 WeakPolarHBondContact ND1-CB 3.24Å; H297-Y299 PolarHBondContact ND1-N 2.96Å; H297-Y299 PolarHBondContact O-N 2.7Å; H297-F300 HydrophobicContact CB-CD2 4.4Å; H297-F300 PolarHBondContact O-N 3.42Å
298P97.4Very high93.2Very high80 Ų8046 Ų4652%0.51925%0.253SS..G310 helixtrans-53-23.4177.6-30.236000115.3F300 S301P298-F300 PolarHBondContact O-N 2.9Å; P298-S301 WeakPolarHBondContact O-CB 3.43Å; P298-S301 PolarHBondContact O-N 3.3Å; P298-S301 VanDerWaalsContact O-N 3.12Å; P298-S301 PolarHBondContact O-OG 3.05Å
299Y98.1Very high92.5Very high13 Ų1348 Ų485%0.05127%0.268CS..G310 helixtrans-56.1-28.8174.6-179.6-114.9000113.5K114 F203 P272 L276 H297K114-Y299 HydrophobicContact CB-CE1 4.12Å; K114-Y299 VanDerWaalsContact CD-O 3.3Å; K114-Y299 WeakPolarHBondContact CD-O 3.35Å; K114-Y299 WeakPolarHBondContact CE-O 3.41Å; K114-Y299 HydrophobicContact CG-CD1 4.33Å; K114-Y299 HydrophobicContact CG-CE1 3.82Å; K114-Y299 PolarHBondContact NZ-O 3.24Å; F203-Y299 HydrophobicContact CE1-CE1 4.41Å; F203-Y299 AromaticContact CE2-CE1 3.99Å; F203-Y299 HydrophobicContact CE2-CE1 3.99Å; F203-Y299 AromaticContact CE2-CZ 3.98Å; F203-Y299 HydrophobicContact CZ-CD1 4.09Å; F203-Y299 AromaticContact CZ-CE1 3.48Å; F203-Y299 HydrophobicContact CZ-CE1 3.48Å; F203-Y299 VanDerWaalsContact CZ-CE1 3.48Å; F203-Y299 HydrophobicContact CZ-CE2 4.27Å; F203-Y299 AromaticContact CZ-CZ 3.59Å; P272-Y299 HydrophobicContact CB-CD2 4.4Å; L276-Y299 HydrophobicContact CD2-CD1 3.71Å; L276-Y299 HydrophobicContact CD2-CG 4.21Å; H297-Y299 WeakPolarHBondContact ND1-CB 3.24Å; H297-Y299 PolarHBondContact ND1-N 2.96Å; H297-Y299 PolarHBondContact O-N 2.7Å
300F96.9Very high91.7Very high3 Ų347.3 Ų47.31%0.01327%0.265CS..G310 helixtrans-100.84.8-179.3-58.8-62.3000114K114 M117 Y118 L121 L276 A294 H297 P298 D302 L303K114-F300 HydrophobicContact CD-CD1 4.44Å; K114-F300 HydrophobicContact CG-CD1 3.63Å; K114-F300 HydrophobicContact CG-CE1 3.94Å; K114-F300 WeakPolarHBondContact O-CE1 3.46Å; M117-F300 HydrophobicContact CB-CE1 4.12Å; M117-F300 HydrophobicContact CB-CZ 4.02Å; Y118-F300 HydrophobicContact CD2-CB 3.88Å; Y118-F300 AromaticContact CD2-CD1 3.58Å; Y118-F300 HydrophobicContact CD2-CD1 3.58Å; Y118-F300 AromaticContact CD2-CD2 3.83Å; Y118-F300 HydrophobicContact CD2-CD2 3.83Å; Y118-F300 AromaticContact CD2-CE1 3.99Å; Y118-F300 HydrophobicContact CD2-CE1 3.99Å; Y118-F300 HydrophobicContact CD2-CE2 4.21Å; Y118-F300 AromaticContact CD2-CG 3.49Å; Y118-F300 HydrophobicContact CD2-CG 3.49Å; Y118-F300 VanDerWaalsContact CD2-CG 3.49Å; Y118-F300 HydrophobicContact CD2-CZ 4.29Å; Y118-F300 HydrophobicContact CE2-CB 3.97Å; Y118-F300 HydrophobicContact CE2-CD1 4.49Å; Y118-F300 HydrophobicContact CE2-CD2 4.26Å; Y118-F300 HydrophobicContact CE2-CG 4.02Å; Y118-F300 HydrophobicContact CG-CD1 4.29Å; Y118-F300 HydrophobicContact CG-CE1 4.47Å; L121-F300 HydrophobicContact CD1-CE2 3.75Å; L121-F300 HydrophobicContact CD1-CZ 3.84Å; L276-F300 HydrophobicContact CD2-CE2 3.64Å; L276-F300 HydrophobicContact CD2-CZ 3.86Å; A294-F300 VanDerWaalsContact O-CD2 3.23Å; A294-F300 WeakPolarHBondContact O-CD2 3.43Å; A294-F300 WeakPolarHBondContact O-CE2 3.47Å; H297-F300 HydrophobicContact CB-CD2 4.4Å; H297-F300 PolarHBondContact O-N 3.42Å; P298-F300 PolarHBondContact O-N 2.9Å; F300-D302 VanDerWaalsContact C-N 3.28Å; F300-D302 PolarHBondContact O-N 3.42Å; F300-L303 HydrophobicContact CD1-CD2 4.24Å; F300-L303 WeakPolarHBondContact O-CB 3.44Å; F300-L303 PolarHBondContact O-N 3.14Å; F300-L303 VanDerWaalsContact O-N 3.16Å
301S92.9Very high90.7Very high99 Ų9945.1 Ų45.169%0.69225%0.252SS*.THydrogen-bonded Turntrans-62.5-32.2-174.757.90000114P298P298-S301 WeakPolarHBondContact O-CB 3.43Å; P298-S301 PolarHBondContact O-N 3.3Å; P298-S301 VanDerWaalsContact O-N 3.12Å; P298-S301 PolarHBondContact O-OG 3.05Å
302D93.4Very high89.6Confident111 Ų11145.1 Ų45.159%0.59425%0.252SS*.THydrogen-bonded Turntrans-97.5-0179.464.5-38.1000113.2K114 F300 D304K114-D302 IonicContact NZ-OD1 3.12Å; K114-D302 PolarHBondContact NZ-OD1 2.72Å; K114-D302 IonicContact NZ-OD2 3.42Å; K114-D302 PolarHBondContact NZ-OD2 3.44Å; F300-D302 VanDerWaalsContact C-N 3.28Å; F300-D302 PolarHBondContact O-N 3.42Å; D302-D304 PolarHBondContact O-N 3.44Å
303L92.4Very high88.9Confident26 Ų2642.1 Ų42.114%0.13624%0.242CC..SBendtrans-69.7131177-17865.6000109.9K114 Y118 F300 K305 V308K114-L303 HydrophobicContact CD-CB 4.06Å; K114-L303 HydrophobicContact CD-CD1 4.32Å; K114-L303 HydrophobicContact CG-CB 4.39Å; K114-L303 HydrophobicContact CG-CD1 4.18Å; Y118-L303 HydrophobicContact CD1-CD2 4.02Å; Y118-L303 HydrophobicContact CD2-CD2 3.86Å; Y118-L303 HydrophobicContact CG-CD2 3.54Å; F300-L303 HydrophobicContact CD1-CD2 4.24Å; F300-L303 WeakPolarHBondContact O-CB 3.44Å; F300-L303 PolarHBondContact O-N 3.14Å; F300-L303 VanDerWaalsContact O-N 3.16Å; L303-K305 PolarHBondContact O-N 3.12Å; L303-V308 HydrophobicContact CD2-CG1 4.29Å
304D87.5Confident88.1Confident48 Ų4838.4 Ų38.426%0.25722%0.222SC..  trans-73.691.1169.7-170.7-0.9000111.3D302 S306 L307 K378D302-D304 PolarHBondContact O-N 3.44Å; D304-S306 VanDerWaalsContact CG-OG 3.24Å; D304-S306 PolarHBondContact O-N 3.44Å; D304-S306 VanDerWaalsContact O-N 3.12Å; D304-S306 WeakPolarHBondContact OD1-CB 3.34Å; D304-S306 PolarHBondContact OD1-N 2.81Å; D304-S306 VanDerWaalsContact OD1-N 3.08Å; D304-S306 PolarHBondContact OD1-OG 2.75Å; D304-S306 PolarHBondContact OD2-OG 2.96Å; D304-L307 HydrophobicContact CB-CD1 3.97Å; D304-L307 HydrophobicContact CB-CG 4.1Å; D304-L307 WeakPolarHBondContact O-CB 3.26Å; D304-L307 PolarHBondContact O-N 2.85Å; D304-K378 VanDerWaalsContact CG-NZ 3.26Å; D304-K378 IonicContact OD1-NZ 3.84Å; D304-K378 PolarHBondContact OD1-NZ 3.14Å; D304-K378 IonicContact OD2-NZ 3.79Å
305K84.4Confident87.3Confident44 Ų4439.9 Ų39.919%0.19123%0.228CC..THydrogen-bonded Turntrans-66.8-8-179.4-59.6176.4180176.60114.7Y118 L303 V308 T311 E314Y118-K305 WeakPolarHBondContact OH-CE 3.35Å; L303-K305 PolarHBondContact O-N 3.12Å; K305-V308 HydrophobicContact CB-CG2 4.4Å; K305-V308 VanDerWaalsContact O-CG2 3.23Å; K305-V308 WeakPolarHBondContact O-CG2 3.35Å; K305-T311 HydrophobicContact CB-CG2 4.45Å; K305-T311 PolarHBondContact O-OG1 3.21Å; K305-E314 WeakPolarHBondContact CD-OE1 3.48Å; K305-E314 WeakPolarHBondContact CE-OE1 3.27Å; K305-E314 IonicContact NZ-OE1 3.3Å; K305-E314 PolarHBondContact NZ-OE1 3.1Å
306S77.7Confident86.5Confident54 Ų5440.4 Ų40.438%0.37823%0.23SC..THydrogen-bonded Turntrans-74.6-17.517172.60000112.5D304D304-S306 VanDerWaalsContact CG-OG 3.24Å; D304-S306 PolarHBondContact O-N 3.44Å; D304-S306 VanDerWaalsContact O-N 3.12Å; D304-S306 WeakPolarHBondContact OD1-CB 3.34Å; D304-S306 PolarHBondContact OD1-N 2.81Å; D304-S306 VanDerWaalsContact OD1-N 3.08Å; D304-S306 PolarHBondContact OD1-OG 2.75Å; D304-S306 PolarHBondContact OD2-OG 2.96Å
307L82.2Confident85.6Confident134 Ų13438 Ų3870%0.70222%0.222SC*.SBendtrans-91.1-10.6179-56.3-180000112.9D304D304-L307 HydrophobicContact CB-CD1 3.97Å; D304-L307 HydrophobicContact CB-CG 4.1Å; D304-L307 WeakPolarHBondContact O-CB 3.26Å; D304-L307 PolarHBondContact O-N 2.85Å
308V85.8Confident84.7Confident5 Ų538 Ų383%0.0322%0.223CC..SBendtrans-89.7144.9175.1-58.60000110.4Y118 Q119 L303 K305 A310 T311Y118-V308 HydrophobicContact CD1-CB 4.37Å; Y118-V308 HydrophobicContact CD1-CG1 4.04Å; Y118-V308 HydrophobicContact CD1-CG2 4Å; Y118-V308 HydrophobicContact CE1-CG2 3.92Å; Q119-V308 HydrophobicContact CG-CB 4.27Å; Q119-V308 HydrophobicContact CG-CG1 4.15Å; L303-V308 HydrophobicContact CD2-CG1 4.29Å; K305-V308 HydrophobicContact CB-CG2 4.4Å; K305-V308 VanDerWaalsContact O-CG2 3.23Å; K305-V308 WeakPolarHBondContact O-CG2 3.35Å; V308-A310 VanDerWaalsContact C-N 3.31Å; V308-A310 PolarHBondContact O-N 3.17Å; V308-T311 PolarHBondContact O-OG1 3.26Å
309P83.3Confident84Confident51 Ų5136 Ų3633%0.33121%0.21SC..THydrogen-bonded Turntrans-66-27.1-173.3-24.935.9000115.5P69 I150P69-P309 HydrophobicContact CB-CB 3.43Å; P69-P309 VanDerWaalsContact CB-CB 3.43Å; P69-P309 HydrophobicContact CB-CG 4.4Å; P69-P309 HydrophobicContact CG-CB 4.18Å; I150-P309 HydrophobicContact CD1-CG 3.9Å; I150-P309 HydrophobicContact CG1-CG 3.81Å; I150-P309 HydrophobicContact CG2-CG 4.31Å
310A82.1Confident82.9Confident10 Ų1036.6 Ų36.68%0.08321%0.214CC..THydrogen-bonded Turntrans-114.954.5-171.200000112.3H68 P69 Q122 V308 G312 E313H68-A310 WeakPolarHBondContact NE2-CB 3.26Å; P69-A310 HydrophobicContact CG-CB 4.3Å; Q122-A310 PolarHBondContact NE2-O 3.48Å; V308-A310 VanDerWaalsContact C-N 3.31Å; V308-A310 PolarHBondContact O-N 3.17Å; A310-G312 PolarHBondContact O-N 3Å; A310-E313 HydrophobicContact CB-CG 4.04Å
311T76Confident82.2Confident20 Ų2043.1 Ų43.112%0.12325%0.249CC..THydrogen-bonded Turntrans-56.7138.8-175.6-46.40000112.9K305 V308 E313 A371 L374K305-T311 HydrophobicContact CB-CG2 4.45Å; K305-T311 PolarHBondContact O-OG1 3.21Å; V308-T311 PolarHBondContact O-OG1 3.26Å; T311-E313 VanDerWaalsContact C-N 3.34Å; T311-E313 PolarHBondContact O-N 3.07Å; T311-A371 HydrophobicContact CG2-CB 4.16Å; T311-A371 WeakPolarHBondContact O-CB 3.38Å; T311-L374 HydrophobicContact CG2-CD1 4.28Å
312G73.3Confident81.7Confident2 Ų244.2 Ų44.22%0.02124%0.243CC..THydrogen-bonded Turntrans86.2-5.2173.500000115.2A310 E314 Y315A310-G312 PolarHBondContact O-N 3Å; G312-E314 VanDerWaalsContact C-OE2 3.26Å; G312-E314 VanDerWaalsContact CA-OE2 3.27Å; G312-E314 WeakPolarHBondContact CA-OE2 3.42Å; G312-E314 PolarHBondContact N-OE2 3Å; G312-E314 PolarHBondContact O-N 3.32Å; G312-Y315 PolarHBondContact O-N 3.45Å; G312-Y315 VanDerWaalsContact O-N 3.16Å
313E79.6Confident81Confident16 Ų1639.6 Ų39.68%0.07522%0.219CC..G310 helixtrans-62.4-23.1177.8-75.4-147158.900114.1H68 L125 A310 T311 Y315 I316H68-E313 IonicContact CD2-OE1 3.06Å; H68-E313 PolarHBondContact CD2-OE1 3.36Å; H68-E313 IonicContact CD2-OE2 3.7Å; H68-E313 IonicContact CE1-OE2 3.45Å; H68-E313 IonicContact NE2-OE1 2.61Å; H68-E313 PolarHBondContact NE2-OE1 2.95Å; H68-E313 IonicContact NE2-OE2 2.91Å; H68-E313 PolarHBondContact NE2-OE2 2.85Å; L125-E313 WeakPolarHBondContact CD2-O 3.07Å; A310-E313 HydrophobicContact CB-CG 4.04Å; T311-E313 VanDerWaalsContact C-N 3.34Å; T311-E313 PolarHBondContact O-N 3.07Å; E313-Y315 PolarHBondContact O-N 2.94Å; E313-Y315 VanDerWaalsContact O-N 3.1Å; E313-I316 HydrophobicContact CB-CD1 3.71Å; E313-I316 HydrophobicContact CG-CD1 3.61Å; E313-I316 WeakPolarHBondContact O-CB 3.32Å; E313-I316 WeakPolarHBondContact O-CG1 3.49Å; E313-I316 PolarHBondContact O-N 2.95Å; E313-I316 VanDerWaalsContact O-N 3.1Å
314E79.1Confident80.3Confident0 Ų041.2 Ų41.20%023%0.23CC..G310 helixtrans-60.2-20.5175.666.5-92.9-143.800113.6Y118 L295 L296 K305 G312Y118-E314 PolarHBondContact OH-OE1 3.13Å; Y118-E314 VanDerWaalsContact OH-OE1 3.12Å; Y118-E314 PolarHBondContact OH-OE2 3.26Å; L295-E314 HydrophobicContact CB-CB 3.7Å; L295-E314 HydrophobicContact CD1-CB 4.44Å; L296-E314 HydrophobicContact CD2-CB 3.99Å; L296-E314 HydrophobicContact CD2-CG 4.03Å; K305-E314 WeakPolarHBondContact CD-OE1 3.48Å; K305-E314 WeakPolarHBondContact CE-OE1 3.27Å; K305-E314 IonicContact NZ-OE1 3.3Å; K305-E314 PolarHBondContact NZ-OE1 3.1Å; G312-E314 VanDerWaalsContact C-OE2 3.26Å; G312-E314 VanDerWaalsContact CA-OE2 3.27Å; G312-E314 WeakPolarHBondContact CA-OE2 3.42Å; G312-E314 PolarHBondContact N-OE2 3Å; G312-E314 PolarHBondContact O-N 3.32Å
315Y81.8Confident79.7Confident30 Ų3049.9 Ų49.912%0.11826%0.259CS..G310 helixtrans-94-6.1-178.6-58-60.8000113.2L296 G312 E313 G317 L318 L323 P324 V327 V361 T370L296-Y315 HydrophobicContact CD2-CD1 4.33Å; L296-Y315 HydrophobicContact CD2-CE1 4.12Å; G312-Y315 PolarHBondContact O-N 3.45Å; G312-Y315 VanDerWaalsContact O-N 3.16Å; E313-Y315 PolarHBondContact O-N 2.94Å; E313-Y315 VanDerWaalsContact O-N 3.1Å; Y315-G317 PolarHBondContact O-N 3.12Å; Y315-L318 HydrophobicContact CD1-CD1 4.05Å; Y315-L318 WeakPolarHBondContact O-CB 3.27Å; Y315-L318 PolarHBondContact O-N 3Å; Y315-L318 VanDerWaalsContact O-N 3.15Å; Y315-L323 HydrophobicContact CD1-CD2 3.83Å; Y315-L323 HydrophobicContact CG-CD2 4.01Å; Y315-P324 HydrophobicContact CE1-CG 4.04Å; Y315-V327 HydrophobicContact CD2-CG1 4.16Å; Y315-V327 HydrophobicContact CE2-CG2 4.29Å; Y315-V327 HydrophobicContact CG-CG1 4.37Å; Y315-V361 VanDerWaalsContact O-CB 3.27Å; Y315-V361 WeakPolarHBondContact O-CB 3.35Å; Y315-V361 WeakPolarHBondContact O-CG2 3.14Å; Y315-T370 HydrophobicContact CD2-CG2 4.49Å
316I79.2Confident79.1Confident12 Ų1253.6 Ų53.66%0.06228%0.278CS..THydrogen-bonded Turntrans-59.3130.5-177.1-69.8164.7000111R292 E313 L318 V361 L363R292-I316 PolarHBondContact NE-O 3.36Å; R292-I316 VanDerWaalsContact NE-O 3.15Å; R292-I316 PolarHBondContact NH1-O 3.39Å; R292-I316 PolarHBondContact NH2-O 3.42Å; E313-I316 HydrophobicContact CB-CD1 3.71Å; E313-I316 HydrophobicContact CG-CD1 3.61Å; E313-I316 WeakPolarHBondContact O-CB 3.32Å; E313-I316 WeakPolarHBondContact O-CG1 3.49Å; E313-I316 PolarHBondContact O-N 2.95Å; E313-I316 VanDerWaalsContact O-N 3.1Å; I316-L318 PolarHBondContact O-N 3.25Å; I316-V361 HydrophobicContact CG1-CG1 4.27Å; I316-L363 HydrophobicContact CD1-CD1 4.22Å; I316-L363 HydrophobicContact CD1-CG 3.91Å; I316-L363 HydrophobicContact CG2-CB 4.32Å; I316-L363 HydrophobicContact CG2-CD1 3.99Å; I316-L363 HydrophobicContact CG2-CG 4.21Å
317G77.4Confident78.9Confident20 Ų2051.1 Ų51.121%0.20626%0.26CS..THydrogen-bonded Turntrans71.39.3178.700000114.7R292 Y315 V361R292-G317 PolarHBondContact NH1-O 3.49Å; Y315-G317 PolarHBondContact O-N 3.12Å; G317-V361 WeakPolarHBondContact CA-O 3.39Å; G317-V361 PolarHBondContact N-O 3.16Å
318L79.2Confident78.6Confident19 Ų1945.3 Ų45.310%0.09923%0.231CC..  trans-76.3142.4167.8-69.9177.6000110.1L296 Y315 I316 L323 T360 V361L296-L318 HydrophobicContact CD1-CD1 4.1Å; Y315-L318 HydrophobicContact CD1-CD1 4.05Å; Y315-L318 WeakPolarHBondContact O-CB 3.27Å; Y315-L318 PolarHBondContact O-N 3Å; Y315-L318 VanDerWaalsContact O-N 3.15Å; I316-L318 PolarHBondContact O-N 3.25Å; L318-L323 HydrophobicContact CB-CD2 3.92Å; L318-L323 HydrophobicContact CD1-CD2 3.97Å; L318-T360 VanDerWaalsContact O-CA 3.26Å; L318-T360 WeakPolarHBondContact O-CA 3.46Å; L318-T360 WeakPolarHBondContact O-CB 3.21Å; L318-V361 PolarHBondContact O-N 2.77Å; L318-V361 VanDerWaalsContact O-N 3.07Å
319P81.1Confident78Confident39 Ų3947.4 Ų47.425%0.25325%0.25SC..BIsolated β-bridgetrans-54.8141.8164.8-27.538.4000111.6D321 Q322 D359 T360P319-D321 WeakPolarHBondContact CB-OD1 2.91Å; P319-D321 PolarHBondContact O-N 3.13Å; P319-Q322 HydrophobicContact CB-CG 4.13Å; P319-Q322 HydrophobicContact CG-CG 4.39Å; P319-Q322 WeakPolarHBondContact O-CB 3.45Å; P319-Q322 PolarHBondContact O-N 3.31Å; P319-D359 WeakPolarHBondContact CA-O 3.2Å; P319-T360 HydrophobicContact CG-CG2 4.47Å
320L76.5Confident77.3Confident26 Ų2646 Ų4614%0.13624%0.239CC..G310 helixtrans-59-31.8-177.1-71.7-178.2000113.3Q322 L323 F331 L332 P358 D359 V361L320-Q322 PolarHBondContact O-N 3.34Å; L320-L323 HydrophobicContact CD2-CD1 3.73Å; L320-L323 PolarHBondContact O-N 2.85Å; L320-F331 HydrophobicContact CD2-CB 3.5Å; L320-F331 HydrophobicContact CD2-CD1 4.36Å; L320-F331 HydrophobicContact CD2-CD2 4.19Å; L320-F331 HydrophobicContact CD2-CG 3.78Å; L320-L332 HydrophobicContact CD1-CD2 4.22Å; L320-P358 WeakPolarHBondContact CD1-O 3.1Å; L320-D359 PolarHBondContact N-O 3.26Å; L320-V361 HydrophobicContact CD2-CG2 4.5Å
321D82.1Confident76.5Confident139 Ų13946.2 Ų46.274%0.74324%0.238SC*.G310 helixtrans-73.4-13.617866-29.9000113.7P319P319-D321 WeakPolarHBondContact CB-OD1 2.91Å; P319-D321 PolarHBondContact O-N 3.13Å
322Q81.5Confident76Confident123 Ų12349.5 Ų49.558%0.57525%0.254SS*.G310 helixtrans-95.7-3.8176-63.5-176.614.800113.1P319 L320P319-Q322 HydrophobicContact CB-CG 4.13Å; P319-Q322 HydrophobicContact CG-CG 4.39Å; P319-Q322 WeakPolarHBondContact O-CB 3.45Å; P319-Q322 PolarHBondContact O-N 3.31Å; L320-Q322 PolarHBondContact O-N 3.34Å
323L77.9Confident75.4Confident14 Ų1453.5 Ų53.57%0.07329%0.287CS..SBendtrans-80149.8177.7-61.7176.4000111.2Y315 L318 L320 R325 V327 A328 F331 V361Y315-L323 HydrophobicContact CD1-CD2 3.83Å; Y315-L323 HydrophobicContact CG-CD2 4.01Å; L318-L323 HydrophobicContact CB-CD2 3.92Å; L318-L323 HydrophobicContact CD1-CD2 3.97Å; L320-L323 HydrophobicContact CD2-CD1 3.73Å; L320-L323 PolarHBondContact O-N 2.85Å; L323-R325 PolarHBondContact O-N 3.28Å; L323-V327 HydrophobicContact CB-CG1 4.49Å; L323-V327 HydrophobicContact CD1-CG1 4.3Å; L323-V327 HydrophobicContact CD2-CG1 4.49Å; L323-A328 HydrophobicContact CB-CB 3.98Å; L323-A328 HydrophobicContact CD1-CB 4.49Å; L323-F331 HydrophobicContact CD1-CD2 3.82Å; L323-F331 HydrophobicContact CD1-CE2 3.94Å; L323-V361 HydrophobicContact CD1-CG2 3.56Å; L323-V361 HydrophobicContact CD2-CG2 4.04Å; L323-V361 HydrophobicContact CG-CG2 4.31Å
324P78.7Confident74.1Confident59 Ų5956.6 Ų56.638%0.38330%0.304SS..  trans-51.1135.6162.6-23.133000109.7Y315 E326 V327 A328Y315-P324 HydrophobicContact CE1-CG 4.04Å; P324-E326 PolarHBondContact O-N 3.45Å; P324-V327 HydrophobicContact CB-CB 4.42Å; P324-V327 HydrophobicContact CB-CG2 4.2Å; P324-V327 HydrophobicContact CG-CG2 4.34Å; P324-V327 WeakPolarHBondContact O-CA 3.24Å; P324-V327 WeakPolarHBondContact O-CB 3.35Å; P324-V327 PolarHBondContact O-N 3.04Å; P324-A328 PolarHBondContact O-N 3.08Å
325R73.9Confident72.5Confident230 Ų23058.6 Ų58.687%0.86833%0.325SS*.Hα-helixtrans-49.2-41.2-174.3-83.9-175.9174.6175.5-1.8113.5L323 V327 A328 A329L323-R325 PolarHBondContact O-N 3.28Å; R325-V327 VanDerWaalsContact C-N 3.29Å; R325-V327 PolarHBondContact O-N 3.12Å; R325-A328 PolarHBondContact O-N 2.97Å; R325-A329 WeakPolarHBondContact O-CB 3.47Å; R325-A329 PolarHBondContact O-N 2.79Å
326E73.5Confident70.3Confident122 Ų12260.2 Ų60.257%0.5735%0.351SS*.Hα-helixtrans-63.2-36.6-180-56.5170.6-144.700112.2P324 Y373P324-E326 PolarHBondContact O-N 3.45Å; E326-Y373 HydrophobicContact CB-CE1 4.33Å
327V73.8Confident68.1Low3 Ų367.7 Ų67.72%0.01839%0.385CS..Hα-helixtrans-77.5-44.4177.1176.80000110Y315 L323 P324 R325 A329 I330 F331 T370 L374Y315-V327 HydrophobicContact CD2-CG1 4.16Å; Y315-V327 HydrophobicContact CE2-CG2 4.29Å; Y315-V327 HydrophobicContact CG-CG1 4.37Å; L323-V327 HydrophobicContact CB-CG1 4.49Å; L323-V327 HydrophobicContact CD1-CG1 4.3Å; L323-V327 HydrophobicContact CD2-CG1 4.49Å; P324-V327 HydrophobicContact CB-CB 4.42Å; P324-V327 HydrophobicContact CB-CG2 4.2Å; P324-V327 HydrophobicContact CG-CG2 4.34Å; P324-V327 WeakPolarHBondContact O-CA 3.24Å; P324-V327 WeakPolarHBondContact O-CB 3.35Å; P324-V327 PolarHBondContact O-N 3.04Å; R325-V327 VanDerWaalsContact C-N 3.29Å; R325-V327 PolarHBondContact O-N 3.12Å; V327-A329 VanDerWaalsContact C-N 3.25Å; V327-A329 PolarHBondContact O-N 3.34Å; V327-I330 WeakPolarHBondContact O-CB 3.4Å; V327-I330 PolarHBondContact O-N 3.23Å; V327-I330 VanDerWaalsContact O-N 3.13Å; V327-F331 HydrophobicContact CG1-CD2 4.5Å; V327-F331 HydrophobicContact CG1-CE2 3.84Å; V327-F331 VanDerWaalsContact O-CD2 3.23Å; V327-F331 WeakPolarHBondContact O-CD2 3.46Å; V327-T370 HydrophobicContact CG1-CG2 3.69Å; V327-T370 HydrophobicContact CG2-CG2 4.49Å; V327-L374 HydrophobicContact CG2-CD2 4.24Å
328A75.1Confident66Low11 Ų1171.8 Ų71.89%0.09141%0.406CS..Hα-helixtrans-56.4-39.8176.900000112.3L323 P324 R325 I330 F331 L332L323-A328 HydrophobicContact CB-CB 3.98Å; L323-A328 HydrophobicContact CD1-CB 4.49Å; P324-A328 PolarHBondContact O-N 3.08Å; R325-A328 PolarHBondContact O-N 2.97Å; A328-I330 PolarHBondContact O-N 2.85Å; A328-F331 PolarHBondContact O-N 2.54Å; A328-F331 VanDerWaalsContact O-N 3.12Å; A328-L332 WeakPolarHBondContact O-CG 3.49Å; A328-L332 PolarHBondContact O-N 3.25Å
329A72.9Confident63.5Low50 Ų5081.1 Ų81.141%0.41344%0.442SS..Hα-helixtrans-57.9-30.8179.900000113.1R325 V327 L332 A333R325-A329 WeakPolarHBondContact O-CB 3.47Å; R325-A329 PolarHBondContact O-N 2.79Å; V327-A329 VanDerWaalsContact C-N 3.25Å; V327-A329 PolarHBondContact O-N 3.34Å; A329-L332 PolarHBondContact O-N 3.18Å; A329-A333 WeakPolarHBondContact O-CB 3.42Å; A329-A333 PolarHBondContact O-N 3.17Å
330I69.5Low60.9Low22 Ų2287.6 Ų87.611%0.11347%0.468CS..Hα-helixtrans-66-47178.1-54.6171.3000110V327 A328 L332 A333 D334 P369 T370 Y373V327-I330 WeakPolarHBondContact O-CB 3.4Å; V327-I330 PolarHBondContact O-N 3.23Å; V327-I330 VanDerWaalsContact O-N 3.13Å; A328-I330 PolarHBondContact O-N 2.85Å; I330-L332 VanDerWaalsContact C-N 3.33Å; I330-L332 PolarHBondContact O-N 3.01Å; I330-A333 PolarHBondContact O-N 3.06Å; I330-D334 PolarHBondContact O-N 3.25Å; I330-P369 HydrophobicContact CG2-CB 3.74Å; I330-T370 HydrophobicContact CD1-CG2 4.23Å; I330-Y373 VanDerWaalsContact CD1-CB 3.46Å; I330-Y373 HydrophobicContact CD1-CD1 3.48Å; I330-Y373 VanDerWaalsContact CD1-CD1 3.48Å; I330-Y373 HydrophobicContact CD1-CD2 4.46Å; I330-Y373 HydrophobicContact CD1-CE1 4.33Å; I330-Y373 HydrophobicContact CD1-CG 3.55Å; I330-Y373 HydrophobicContact CG1-CD1 4.07Å; I330-Y373 HydrophobicContact CG1-CD2 4.45Å; I330-Y373 HydrophobicContact CG1-CG 3.98Å
331F63.5Low58.6Low14 Ų1492.9 Ų92.96%0.06150%0.497CS..Hα-helixtrans-70.4-30.7-179.9-63.1-89.4000112.6L320 L323 V327 A328 V361 A366 T370L320-F331 HydrophobicContact CD2-CB 3.5Å; L320-F331 HydrophobicContact CD2-CD1 4.36Å; L320-F331 HydrophobicContact CD2-CD2 4.19Å; L320-F331 HydrophobicContact CD2-CG 3.78Å; L323-F331 HydrophobicContact CD1-CD2 3.82Å; L323-F331 HydrophobicContact CD1-CE2 3.94Å; V327-F331 HydrophobicContact CG1-CD2 4.5Å; V327-F331 HydrophobicContact CG1-CE2 3.84Å; V327-F331 VanDerWaalsContact O-CD2 3.23Å; V327-F331 WeakPolarHBondContact O-CD2 3.46Å; A328-F331 PolarHBondContact O-N 2.54Å; A328-F331 VanDerWaalsContact O-N 3.12Å; F331-V361 HydrophobicContact CD1-CG2 4.35Å; F331-V361 HydrophobicContact CD2-CG2 4.42Å; F331-V361 HydrophobicContact CE1-CB 4.05Å; F331-V361 HydrophobicContact CE1-CG1 3.61Å; F331-V361 HydrophobicContact CE1-CG2 3.78Å; F331-V361 HydrophobicContact CE2-CG2 3.93Å; F331-V361 HydrophobicContact CZ-CB 4.12Å; F331-V361 HydrophobicContact CZ-CG1 3.55Å; F331-V361 HydrophobicContact CZ-CG2 3.59Å; F331-A366 HydrophobicContact CD1-CB 3.51Å; F331-A366 HydrophobicContact CE1-CB 3.15Å; F331-A366 HydrophobicContact CZ-CB 4.05Å; F331-T370 VanDerWaalsContact CE2-OG1 3.26Å; F331-T370 WeakPolarHBondContact CE2-OG1 3.47Å; F331-T370 WeakPolarHBondContact CZ-OG1 3.25Å
332L66.5Low56.1Low88 Ų8891.2 Ų91.246%0.46150%0.496SS..Hα-helixtrans-77-31.2176.5-67170.7000112.4L320 A328 A329 I330L320-L332 HydrophobicContact CD1-CD2 4.22Å; A328-L332 WeakPolarHBondContact O-CG 3.49Å; A328-L332 PolarHBondContact O-N 3.25Å; A329-L332 PolarHBondContact O-N 3.18Å; I330-L332 VanDerWaalsContact C-N 3.33Å; I330-L332 PolarHBondContact O-N 3.01Å
333A60.6Low53.6Low86 Ų8692.3 Ų92.371%0.71151%0.506SS*.Hα-helixtrans-76.9-29.4178.600000113.1A329 I330 G335A329-A333 WeakPolarHBondContact O-CB 3.42Å; A329-A333 PolarHBondContact O-N 3.17Å; I330-A333 PolarHBondContact O-N 3.06Å; A333-G335 PolarHBondContact O-N 3.12Å
334D52Low51.3Low82 Ų8299 Ų9944%0.43954%0.542SS..THydrogen-bonded Turntrans-83.310.9-175.7-131.78.7000114.4I330 G336I330-D334 PolarHBondContact O-N 3.25Å; D334-G336 PolarHBondContact O-N 3.48Å
335G46.6Very low49Very low42 Ų42102.5 Ų102.543%0.43356%0.562SS.*THydrogen-bonded Turntrans-65.824.1176.100000115.5A333A333-G335 PolarHBondContact O-N 3.12Å
336G34.6Very low46.9Very low64 Ų6499.8 Ų99.866%0.6656%0.559SS**THydrogen-bonded Turntrans-134.4-8.9-167.200000118.2D334D334-G336 PolarHBondContact O-N 3.48Å
337E33.4Very low45Very low168 Ų168101.6 Ų101.679%0.78557%0.573SS**  trans-106.995.2176.2-70.4-158.1166.800112.3Y339E337-Y339 PolarHBondContact O-N 2.83Å
338V32.3Very low42.9Very low107 Ų107109 Ų10965%0.64861%0.612SS**  trans-61.9113.3165.6177.70000108.2H340V338-H340 PolarHBondContact O-N 3.04Å
339Y28Very low40.8Very low215 Ų215114.5 Ų114.584%0.84365%0.645SS**  trans-60.3100.5163.9-93-92.1000108.8E337 N341E337-Y339 PolarHBondContact O-N 2.83Å; Y339-N341 PolarHBondContact O-N 3.05Å
340H26.8Very low38.8Very low174 Ų174117.6 Ų117.681%0.80666%0.664SS**  trans-66.7100.4163-96.9-62.1000108.2V338 S342V338-H340 PolarHBondContact O-N 3.04Å; H340-S342 PolarHBondContact O-N 3.19Å; H340-S342 VanDerWaalsContact O-N 3.09Å
341N27.8Very low37Very low137 Ų137123.5 Ų123.573%0.73370%0.695SS**  trans-72.599.6163.6-142.913000106.6Y339 N343Y339-N341 PolarHBondContact O-N 3.05Å; N341-N343 PolarHBondContact O-N 3.17Å
342S28.6Very low35.4Very low105 Ų105130.7 Ų130.773%0.73473%0.734SS**THydrogen-bonded Turntrans-70.280.2172.3520000108.8H340H340-S342 PolarHBondContact O-N 3.19Å; H340-S342 VanDerWaalsContact O-N 3.09Å
343N30.1Very low33.6Very low145 Ų145132 Ų13278%0.77575%0.749SS**THydrogen-bonded Turntrans-161.214.9164.5-101.3-6.4000115.7N341N341-N343 PolarHBondContact O-N 3.17Å
344D29.4Very low32.3Very low156 Ų156133.3 Ų133.383%0.83475%0.748SS**  trans-117.591.5171.6-69.6-37.7000110.7
345T29.5Very low31.7Very low131 Ų131132.6 Ų132.680%0.80475%0.753SS**  trans-73.7132.4154.337.80000109.1
346E30.7Very low31.8Very low174 Ų174136.9 Ų136.981%0.81377%0.77SS**  trans8090164.7-57.5-177.8171.200118.4
347N32.4Very low32.9Very low159 Ų159138.2 Ų138.285%0.8576%0.76SS**  178.5140.1102.2-98.7-41.7000113.2T349N347-T349 PolarHBondContact O-N 2.68Å
348N31.4Very low34.1Very low158 Ų158133 Ų13385%0.84574%0.74SS**  trans-51.3127.8172.6-89.4-33.2000112.9
349T31.1Very low36.1Very low128 Ų128134.6 Ų134.679%0.78575%0.745SS**  -170.5132126.519.90000110.6N347 N351N347-T349 PolarHBondContact O-N 2.68Å; T349-N351 PolarHBondContact O-N 2.74Å
350S30Very low38.2Very low115 Ų115126.6 Ų126.680%0.80472%0.719SS**  trans-56.2112172.250.30000111.6
351N31.5Very low40.1Very low145 Ų145118.4 Ų118.478%0.77568%0.681SS**  trans-133.7125.3160.9-92.3-27.2000109T349 C353T349-N351 PolarHBondContact O-N 2.74Å; N351-C353 PolarHBondContact O-N 3.03Å; N351-C353 VanDerWaalsContact O-N 3.07Å
352L30Very low41.8Very low166 Ų166117.1 Ų117.187%0.86967%0.671SS**  trans-50.2112.7165.5-99.977.4000108.4V354L352-V354 VanDerWaalsContact C-N 3.32Å; L352-V354 PolarHBondContact O-N 3.16Å
353C29.5Very low43.3Very low115 Ų115114.9 Ų114.978%0.77765%0.65SS**  trans-67.694.2164-79.30000108.3N351 A355N351-C353 PolarHBondContact O-N 3.03Å; N351-C353 VanDerWaalsContact O-N 3.07Å; C353-A355 PolarHBondContact O-N 3.09Å
354V32Very low44.3Very low114 Ų114110.6 Ų110.669%0.69164%0.64SS**  trans-71.2106.2158179.50000105.8L352 V356L352-V354 VanDerWaalsContact C-N 3.32Å; L352-V354 PolarHBondContact O-N 3.16Å; V354-V356 PolarHBondContact O-N 3.07Å
355A40.8Very low45.2Very low67 Ų67106.6 Ų106.655%0.55463%0.625SS**  trans-62107173.600000108.5C353 Q357C353-A355 PolarHBondContact O-N 3.09Å; A355-Q357 PolarHBondContact O-N 3.32Å
356V47.8Very low46.2Very low131 Ų131100.9 Ų100.979%0.79459%0.59SS**  trans-75.1108.5174.2-179.70000107V354V354-V356 PolarHBondContact O-N 3.07Å
357Q58.3Low47.2Very low93 Ų9393 Ų9344%0.43556%0.555SS.*  trans-64.4135.8173.2-72.3-168.2-26.400109.3A355 D359A355-Q357 PolarHBondContact O-N 3.32Å; Q357-D359 PolarHBondContact O-N 3.42Å
358P58.9Low48.1Very low57 Ų5790.2 Ų90.237%0.3754%0.544SS..  trans-72.1125.3177.228.4-32.1000110L320 T360 Q362L320-P358 WeakPolarHBondContact CD1-O 3.1Å; P358-T360 PolarHBondContact O-N 3.32Å; P358-T360 VanDerWaalsContact O-N 3.11Å; P358-Q362 HydrophobicContact CB-CG 4.41Å
359D72.7Confident49.3Very low141 Ų14184.5 Ų84.575%0.75452%0.515SS*.SBendtrans-63-18.7178.3-61.2-31.6000113.2P319 L320 Q357P319-D359 WeakPolarHBondContact CA-O 3.2Å; L320-D359 PolarHBondContact N-O 3.26Å; Q357-D359 PolarHBondContact O-N 3.42Å
360T72.1Confident50.7Low47 Ų4778.5 Ų78.529%0.28848%0.478SS..BIsolated β-bridgetrans-139.5157.1-178.457.30000112L318 P319 P358 Q362L318-T360 VanDerWaalsContact O-CA 3.26Å; L318-T360 WeakPolarHBondContact O-CA 3.46Å; L318-T360 WeakPolarHBondContact O-CB 3.21Å; P319-T360 HydrophobicContact CG-CG2 4.47Å; P358-T360 PolarHBondContact O-N 3.32Å; P358-T360 VanDerWaalsContact O-N 3.11Å; T360-Q362 PolarHBondContact O-N 2.77Å
361V66.6Low51.9Low3 Ų374 Ų742%0.01845%0.448CS..PPolyproline II helixtrans-63.5118.2174.9176.60000111.1Y315 I316 G317 L318 L320 L323 F331Y315-V361 VanDerWaalsContact O-CB 3.27Å; Y315-V361 WeakPolarHBondContact O-CB 3.35Å; Y315-V361 WeakPolarHBondContact O-CG2 3.14Å; I316-V361 HydrophobicContact CG1-CG1 4.27Å; G317-V361 WeakPolarHBondContact CA-O 3.39Å; G317-V361 PolarHBondContact N-O 3.16Å; L318-V361 PolarHBondContact O-N 2.77Å; L318-V361 VanDerWaalsContact O-N 3.07Å; L320-V361 HydrophobicContact CD2-CG2 4.5Å; L323-V361 HydrophobicContact CD1-CG2 3.56Å; L323-V361 HydrophobicContact CD2-CG2 4.04Å; L323-V361 HydrophobicContact CG-CG2 4.31Å; F331-V361 HydrophobicContact CD1-CG2 4.35Å; F331-V361 HydrophobicContact CD2-CG2 4.42Å; F331-V361 HydrophobicContact CE1-CB 4.05Å; F331-V361 HydrophobicContact CE1-CG1 3.61Å; F331-V361 HydrophobicContact CE1-CG2 3.78Å; F331-V361 HydrophobicContact CE2-CG2 3.93Å; F331-V361 HydrophobicContact CZ-CB 4.12Å; F331-V361 HydrophobicContact CZ-CG1 3.55Å; F331-V361 HydrophobicContact CZ-CG2 3.59Å
362Q65.3Low53.4Low110 Ų11073.9 Ų73.951%0.51444%0.441SS..PPolyproline II helixtrans-90.8151.4178.3-71.2-86.4-20.100112.2P358 T360 G364 S365P358-Q362 HydrophobicContact CB-CG 4.41Å; T360-Q362 PolarHBondContact O-N 2.77Å; Q362-G364 PolarHBondContact O-N 2.85Å; Q362-S365 WeakPolarHBondContact CB-OG 3.29Å
363L58.6Low55.2Low57 Ų5770.6 Ų70.630%0.29842%0.417SS..THydrogen-bonded Turntrans-80.1119.6-175.2-148.1151.7000109.9F126 I316 S365F126-L363 HydrophobicContact CD2-CD1 4.45Å; F126-L363 HydrophobicContact CD2-CD2 3.85Å; F126-L363 HydrophobicContact CE2-CD2 3.54Å; F126-L363 HydrophobicContact CZ-CD2 4.45Å; I316-L363 HydrophobicContact CD1-CD1 4.22Å; I316-L363 HydrophobicContact CD1-CG 3.91Å; I316-L363 HydrophobicContact CG2-CB 4.32Å; I316-L363 HydrophobicContact CG2-CD1 3.99Å; I316-L363 HydrophobicContact CG2-CG 4.21Å; L363-S365 PolarHBondContact O-N 3.17Å
364G52.8Low56.8Low55 Ų5567.1 Ų67.157%0.56739%0.391SS*.THydrogen-bonded Turntrans90.3-27175.600000116.8Q362Q362-G364 PolarHBondContact O-N 2.85Å
365S47Very low58.2Low73 Ų7363.2 Ų63.251%0.5137%0.371SS..THydrogen-bonded Turntrans-82.2-24.2179.352.20000113.9Q362 L363Q362-S365 WeakPolarHBondContact CB-OG 3.29Å; L363-S365 PolarHBondContact O-N 3.17Å
366A50.7Low59.4Low10 Ų1063.1 Ų63.18%0.08336%0.361CS..SBendtrans-144.7-1.1-175.800000116.3F331 V368 P369 T370F331-A366 HydrophobicContact CD1-CB 3.51Å; F331-A366 HydrophobicContact CE1-CB 3.15Å; F331-A366 HydrophobicContact CZ-CB 4.05Å; A366-V368 VanDerWaalsContact C-N 3.29Å; A366-V368 PolarHBondContact O-N 3.42Å; A366-P369 WeakPolarHBondContact O-CD 3.49Å; A366-T370 WeakPolarHBondContact O-CB 3.31Å; A366-T370 PolarHBondContact O-N 3.5Å; A366-T370 VanDerWaalsContact O-N 3.11Å; A366-T370 PolarHBondContact O-OG1 3.09Å
367A51.6Low60.4Low10 Ų1058.7 Ų58.78%0.08334%0.336CS..Hα-helixtrans-63.9-35.2170.300000112T370 A371A367-T370 PolarHBondContact O-N 2.76Å; A367-A371 VanDerWaalsContact O-CB 3.28Å; A367-A371 WeakPolarHBondContact O-CB 2.99Å; A367-A371 PolarHBondContact O-N 3.38Å
368V51Low60.5Low99 Ų9958.3 Ų58.360%0.633%0.332SS*.Hα-helixtrans-70.5-46.9178.4178.20000112.6A366 T370 A371 K372A366-V368 VanDerWaalsContact C-N 3.29Å; A366-V368 PolarHBondContact O-N 3.42Å; V368-T370 VanDerWaalsContact C-N 3.3Å; V368-T370 PolarHBondContact O-N 2.83Å; V368-A371 WeakPolarHBondContact O-CB 3.48Å; V368-A371 PolarHBondContact O-N 3.34Å; V368-K372 VanDerWaalsContact O-CB 3.31Å; V368-K372 WeakPolarHBondContact O-CB 3.38Å; V368-K372 PolarHBondContact O-N 3.42Å
369P57.3Low60.7Low39 Ų3961.7 Ų61.725%0.25334%0.341SS..Hα-helixtrans-53.4-45.2168-28.531.9000113.1I330 A366 K372 Y373I330-P369 HydrophobicContact CG2-CB 3.74Å; A366-P369 WeakPolarHBondContact O-CD 3.49Å; P369-K372 PolarHBondContact O-N 3.21Å; P369-Y373 WeakPolarHBondContact O-CB 3.19Å; P369-Y373 PolarHBondContact O-N 3.36Å
370T60.6Low60.3Low1 Ų161.2 Ų61.21%0.00634%0.335CS..Hα-helixtrans-61.1-48.7177.6-57.10000112Y315 V327 I330 F331 A366 A367 V368 K372 Y373 L374Y315-T370 HydrophobicContact CD2-CG2 4.49Å; V327-T370 HydrophobicContact CG1-CG2 3.69Å; V327-T370 HydrophobicContact CG2-CG2 4.49Å; I330-T370 HydrophobicContact CD1-CG2 4.23Å; F331-T370 VanDerWaalsContact CE2-OG1 3.26Å; F331-T370 WeakPolarHBondContact CE2-OG1 3.47Å; F331-T370 WeakPolarHBondContact CZ-OG1 3.25Å; A366-T370 WeakPolarHBondContact O-CB 3.31Å; A366-T370 PolarHBondContact O-N 3.5Å; A366-T370 VanDerWaalsContact O-N 3.11Å; A366-T370 PolarHBondContact O-OG1 3.09Å; A367-T370 PolarHBondContact O-N 2.76Å; V368-T370 VanDerWaalsContact C-N 3.3Å; V368-T370 PolarHBondContact O-N 2.83Å; T370-K372 VanDerWaalsContact C-N 3.32Å; T370-K372 PolarHBondContact O-N 3.18Å; T370-Y373 PolarHBondContact O-N 3.49Å; T370-L374 HydrophobicContact CG2-CD1 3.89Å; T370-L374 HydrophobicContact CG2-CG 4.44Å; T370-L374 WeakPolarHBondContact O-CB 3.36Å; T370-L374 VanDerWaalsContact O-CG 3.28Å; T370-L374 WeakPolarHBondContact O-CG 3.19Å; T370-L374 PolarHBondContact O-N 2.96Å
371A55.4Low59.7Low21 Ų2161.2 Ų61.217%0.17434%0.339CS..Hα-helixtrans-54.6-47.7174.200000112.2T311 A367 V368 A375T311-A371 HydrophobicContact CG2-CB 4.16Å; T311-A371 WeakPolarHBondContact O-CB 3.38Å; A367-A371 VanDerWaalsContact O-CB 3.28Å; A367-A371 WeakPolarHBondContact O-CB 2.99Å; A367-A371 PolarHBondContact O-N 3.38Å; V368-A371 WeakPolarHBondContact O-CB 3.48Å; V368-A371 PolarHBondContact O-N 3.34Å; A371-A375 WeakPolarHBondContact O-CB 3.33Å; A371-A375 PolarHBondContact O-N 3.02Å
372K61.8Low59.1Low142 Ų14267.4 Ų67.462%0.61737%0.368SS*.Hα-helixtrans-67.6-45.2-176.1-162177-177.7-174.40111.4V368 P369 T370 A375 D376V368-K372 VanDerWaalsContact O-CB 3.31Å; V368-K372 WeakPolarHBondContact O-CB 3.38Å; V368-K372 PolarHBondContact O-N 3.42Å; P369-K372 PolarHBondContact O-N 3.21Å; T370-K372 VanDerWaalsContact C-N 3.32Å; T370-K372 PolarHBondContact O-N 3.18Å; K372-A375 PolarHBondContact O-N 3.31Å; K372-D376 WeakPolarHBondContact O-CB 3.07Å; K372-D376 PolarHBondContact O-N 3.48Å
373Y68.4Low58.6Low97 Ų9768.8 Ų68.838%0.3837%0.374SS..Hα-helixtrans-62-45.9176178.9-94.7000112.3E326 I330 P369 T370 A375 D376 C377E326-Y373 HydrophobicContact CB-CE1 4.33Å; I330-Y373 VanDerWaalsContact CD1-CB 3.46Å; I330-Y373 HydrophobicContact CD1-CD1 3.48Å; I330-Y373 VanDerWaalsContact CD1-CD1 3.48Å; I330-Y373 HydrophobicContact CD1-CD2 4.46Å; I330-Y373 HydrophobicContact CD1-CE1 4.33Å; I330-Y373 HydrophobicContact CD1-CG 3.55Å; I330-Y373 HydrophobicContact CG1-CD1 4.07Å; I330-Y373 HydrophobicContact CG1-CD2 4.45Å; I330-Y373 HydrophobicContact CG1-CG 3.98Å; P369-Y373 WeakPolarHBondContact O-CB 3.19Å; P369-Y373 PolarHBondContact O-N 3.36Å; T370-Y373 PolarHBondContact O-N 3.49Å; Y373-A375 VanDerWaalsContact C-N 3.3Å; Y373-A375 PolarHBondContact O-N 2.85Å; Y373-D376 PolarHBondContact O-N 3.38Å; Y373-C377 WeakPolarHBondContact CE1-SG 3.38Å; Y373-C377 PolarHBondContact O-N 3.11Å; Y373-C377 PolarHBondContact O-SG 3.11Å; Y373-C377 VanDerWaalsContact O-SG 3.34Å
374L64Low58.3Low42 Ų4270.2 Ų70.222%0.2239%0.385CS..Hα-helixtrans-62.1-39.1177.3-72.4171.8000111.6T311 V327 T370 K378T311-L374 HydrophobicContact CG2-CD1 4.28Å; V327-L374 HydrophobicContact CG2-CD2 4.24Å; T370-L374 HydrophobicContact CG2-CD1 3.89Å; T370-L374 HydrophobicContact CG2-CG 4.44Å; T370-L374 WeakPolarHBondContact O-CB 3.36Å; T370-L374 VanDerWaalsContact O-CG 3.28Å; T370-L374 WeakPolarHBondContact O-CG 3.19Å; T370-L374 PolarHBondContact O-N 2.96Å; L374-K378 PolarHBondContact O-N 2.85Å
375A60.9Low58.1Low32 Ų3271.9 Ų71.926%0.26438%0.384SS..Hα-helixtrans-65.1-40174.300000112.2A371 K372 Y373 K378 K379A371-A375 WeakPolarHBondContact O-CB 3.33Å; A371-A375 PolarHBondContact O-N 3.02Å; K372-A375 PolarHBondContact O-N 3.31Å; Y373-A375 VanDerWaalsContact C-N 3.3Å; Y373-A375 PolarHBondContact O-N 2.85Å; A375-K378 PolarHBondContact O-N 3.12Å; A375-K379 PolarHBondContact O-N 3.27Å; A375-K379 VanDerWaalsContact O-N 3.12Å
376D66.7Low58Low65 Ų6570.5 Ų70.535%0.34838%0.382SS..Hα-helixtrans-74.1-38.2-178.8-71.5-23.9000112.7K372 Y373 K378 K379 Q380K372-D376 WeakPolarHBondContact O-CB 3.07Å; K372-D376 PolarHBondContact O-N 3.48Å; Y373-D376 PolarHBondContact O-N 3.38Å; D376-K378 VanDerWaalsContact C-N 3.27Å; D376-K378 PolarHBondContact O-N 3.34Å; D376-K379 PolarHBondContact O-N 3.18Å; D376-K379 IonicContact OD1-NZ 2.75Å; D376-K379 PolarHBondContact OD1-NZ 3.32Å; D376-Q380 PolarHBondContact O-N 2.96Å
377C67.4Low57.6Low39 Ų3972.4 Ų72.426%0.26440%0.397SS..Hα-helixtrans-59.1-39172.4-71.40000111.8Y373 Q380 A381Y373-C377 WeakPolarHBondContact CE1-SG 3.38Å; Y373-C377 PolarHBondContact O-N 3.11Å; Y373-C377 PolarHBondContact O-SG 3.11Å; Y373-C377 VanDerWaalsContact O-SG 3.34Å; C377-Q380 PolarHBondContact O-N 2.94Å; C377-A381 PolarHBondContact O-N 2.84Å
378K60.6Low57.2Low85 Ų8576.8 Ų76.837%0.3742%0.423SS..Hα-helixtrans-70.2-38.1175.4-89.7-165.3176.5-167.40113.5D304 L374 A375 D376 Q380 A381 H382D304-K378 VanDerWaalsContact CG-NZ 3.26Å; D304-K378 IonicContact OD1-NZ 3.84Å; D304-K378 PolarHBondContact OD1-NZ 3.14Å; D304-K378 IonicContact OD2-NZ 3.79Å; L374-K378 PolarHBondContact O-N 2.85Å; A375-K378 PolarHBondContact O-N 3.12Å; D376-K378 VanDerWaalsContact C-N 3.27Å; D376-K378 PolarHBondContact O-N 3.34Å; K378-Q380 PolarHBondContact O-N 3.13Å; K378-A381 PolarHBondContact O-N 2.81Å; K378-H382 PolarHBondContact O-CD2 3.46Å; K378-H382 PolarHBondContact O-N 3.35Å
379K62.9Low56.6Low128 Ų12878.4 Ų78.456%0.55743%0.428SS*.Hα-helixtrans-59.3-41.3172.7-75.4176-172.5160.90110.9A375 D376 Q383A375-K379 PolarHBondContact O-N 3.27Å; A375-K379 VanDerWaalsContact O-N 3.12Å; D376-K379 PolarHBondContact O-N 3.18Å; D376-K379 IonicContact OD1-NZ 2.75Å; D376-K379 PolarHBondContact OD1-NZ 3.32Å; K379-Q383 WeakPolarHBondContact O-CG 3.48Å; K379-Q383 PolarHBondContact O-N 3.23Å
380Q64.4Low55.7Low131 Ų13180.5 Ų80.561%0.61244%0.444SS*.Hα-helixtrans-64.8-45.2174.9-72-178.9-0.500111.5D376 C377 K378 H382 Q383 T384D376-Q380 PolarHBondContact O-N 2.96Å; C377-Q380 PolarHBondContact O-N 2.94Å; K378-Q380 PolarHBondContact O-N 3.13Å; Q380-H382 PolarHBondContact O-N 3.37Å; Q380-Q383 WeakPolarHBondContact O-CB 3.13Å; Q380-Q383 PolarHBondContact O-N 2.73Å; Q380-Q383 VanDerWaalsContact O-N 3.1Å; Q380-T384 PolarHBondContact O-N 2.77Å; Q380-T384 PolarHBondContact O-OG1 2.92Å
381A59.2Low54.4Low47 Ų4789.8 Ų89.839%0.38848%0.484SS..Hα-helixtrans-60.2-40.1177.300000113.2C377 K378 T384 V385C377-A381 PolarHBondContact O-N 2.84Å; K378-A381 PolarHBondContact O-N 2.81Å; A381-T384 WeakPolarHBondContact CA-OG1 3.34Å; A381-T384 PolarHBondContact O-N 2.85Å; A381-T384 PolarHBondContact O-OG1 3.21Å; A381-V385 WeakPolarHBondContact O-CG2 3.31Å; A381-V385 PolarHBondContact O-N 2.75Å
382H55Low53.3Low132 Ų13293.4 Ų93.461%0.61151%0.508SS*.Hα-helixtrans-69.1-32.7174.5-79.9-50.4000112.9K378 Q380 G386K378-H382 PolarHBondContact O-CD2 3.46Å; K378-H382 PolarHBondContact O-N 3.35Å; Q380-H382 PolarHBondContact O-N 3.37Å; H382-G386 PolarHBondContact O-N 2.92Å; H382-G386 VanDerWaalsContact O-N 3.08Å
383Q54.7Low52Low140 Ų14091.9 Ų91.965%0.65452%0.516SS*.Hα-helixtrans-70.1-37.8173.2-74.81783.900112.2K379 Q380 G386 A387K379-Q383 WeakPolarHBondContact O-CG 3.48Å; K379-Q383 PolarHBondContact O-N 3.23Å; Q380-Q383 WeakPolarHBondContact O-CB 3.13Å; Q380-Q383 PolarHBondContact O-N 2.73Å; Q380-Q383 VanDerWaalsContact O-N 3.1Å; Q383-G386 PolarHBondContact O-N 2.92Å; Q383-A387 WeakPolarHBondContact O-CB 3.26Å; Q383-A387 PolarHBondContact O-N 3.48Å
384T51.8Low50.2Low86 Ų8696 Ų9653%0.52854%0.538SS..Hα-helixtrans-68.2-37.6174.913.70000112.1Q380 A381 G386 A387 V388Q380-T384 PolarHBondContact O-N 2.77Å; Q380-T384 PolarHBondContact O-OG1 2.92Å; A381-T384 WeakPolarHBondContact CA-OG1 3.34Å; A381-T384 PolarHBondContact O-N 2.85Å; A381-T384 PolarHBondContact O-OG1 3.21Å; T384-G386 VanDerWaalsContact C-N 3.34Å; T384-G386 PolarHBondContact O-N 2.89Å; T384-A387 PolarHBondContact O-N 3.32Å; T384-V388 VanDerWaalsContact O-CG2 3.28Å; T384-V388 WeakPolarHBondContact O-CG2 3.19Å; T384-V388 PolarHBondContact O-N 2.92Å
385V49.6Very low48.4Very low90 Ų90102.6 Ų102.655%0.54557%0.567SS.*Hα-helixtrans-67.8-35.4175.1-178.30000111.3A381 N389A381-V385 WeakPolarHBondContact O-CG2 3.31Å; A381-V385 PolarHBondContact O-N 2.75Å; V385-N389 PolarHBondContact O-N 3.24Å
386G44Very low46.8Very low45 Ų45107.8 Ų107.846%0.46460%0.595SS.*Hα-helixtrans-69-31.7171.600000114.3H382 Q383 T384 S390H382-G386 PolarHBondContact O-N 2.92Å; H382-G386 VanDerWaalsContact O-N 3.08Å; Q383-G386 PolarHBondContact O-N 2.92Å; T384-G386 VanDerWaalsContact C-N 3.34Å; T384-G386 PolarHBondContact O-N 2.89Å; G386-S390 PolarHBondContact O-OG 3.17Å; G386-S390 VanDerWaalsContact O-OG 3.05Å
387A42.3Very low45.1Very low49 Ų49108.6 Ų108.641%0.40561%0.611SS.*Hα-helixtrans-77.2-25.6177.500000113.3Q383 T384 S390Q383-A387 WeakPolarHBondContact O-CB 3.26Å; Q383-A387 PolarHBondContact O-N 3.48Å; T384-A387 PolarHBondContact O-N 3.32Å; A387-S390 WeakPolarHBondContact CA-OG 3.22Å; A387-S390 PolarHBondContact O-OG 3.13Å
388V42.6Very low43.3Very low102 Ų102112.7 Ų112.762%0.61864%0.637SS**Hα-helixtrans-78.4-31.7175.71770000111.2T384 S390T384-V388 VanDerWaalsContact O-CG2 3.28Å; T384-V388 WeakPolarHBondContact O-CG2 3.19Å; T384-V388 PolarHBondContact O-N 2.92Å; V388-S390 VanDerWaalsContact C-N 3.26Å; V388-S390 PolarHBondContact O-N 3Å
389N39.2Very low41.7Very low133 Ų133116.3 Ų116.371%0.71166%0.659SS**THydrogen-bonded Turntrans-77.2-5.1173.4-81.7-11.1000114.6V385V385-N389 PolarHBondContact O-N 3.24Å
390S37.6Very low39.9Very low84 Ų84114.4 Ų114.459%0.58767%0.668SS**THydrogen-bonded Turntrans-105.810177.646.40000114.2G386 A387 V388G386-S390 PolarHBondContact O-OG 3.17Å; G386-S390 VanDerWaalsContact O-OG 3.05Å; A387-S390 WeakPolarHBondContact CA-OG 3.22Å; A387-S390 PolarHBondContact O-OG 3.13Å; V388-S390 VanDerWaalsContact C-N 3.26Å; V388-S390 PolarHBondContact O-N 3Å
391K35Very low38.2Very low195 Ų195115.2 Ų115.285%0.84868%0.676SS**SBendtrans-117.812.2176.5-75.2-170.8175.7-178.70115.5
392S32.4Very low36.7Very low97 Ų97120 Ų12068%0.67870%0.695SS**  trans-128.466.7173.863.50000112.3
393S33Very low35.5Very low111 Ų111122.9 Ų122.978%0.77671%0.709SS**  trans-141.892.5156.151.10000109
394H30.8Very low34.2Very low182 Ų182124.1 Ų124.184%0.84372%0.715SS**  trans-58.9136.5163.9-89.3-65.8000109.6V396H394-V396 PolarHBondContact O-N 3.01Å
395H27.5Very low33.1Very low182 Ų182125.5 Ų125.584%0.84372%0.723SS**  trans-13.8110.2165.1-82-69.8000115.7
396V27Very low32.2Very low141 Ų141127.8 Ų127.886%0.85573%0.732SS**  trans-126.8106.7145.3-178.20000106.1H394H394-V396 PolarHBondContact O-N 3.01Å
397A30.5Very low31.5Very low81 Ų81133.2 Ų133.267%0.66975%0.747SS**  trans-68.7143.6168.700000109
398P29Very low30.8Very low125 Ų125135.2 Ų135.281%0.81276%0.758SS**  trans-80.7127.9-17231.3-31000110.7A400P398-A400 PolarHBondContact O-N 2.99Å
399L26.6Very low30.3Very low161 Ų161138.1 Ų138.184%0.84377%0.769SS**  trans-70.5109160.5-92.1152.6000108
400A25.9Very low30.2Very low89 Ų89140.7 Ų140.774%0.73680%0.797SS**  trans-80.8105.4160.200000107.5P398P398-A400 PolarHBondContact O-N 2.99Å
401D29.4Very low29.8Very low147 Ų147143.5 Ų143.579%0.78681%0.807SS**  trans-101.9109.8158.9-88-30.5000108.6H403D401-H403 PolarHBondContact O-N 3.36Å
402N26.9Very low29.5Very low148 Ų148140.8 Ų140.879%0.79181%0.805SS**  trans-62120.6157.7-77.2-31.3000108.2
403H30.3Very low29.3Very low192 Ų192143.2 Ų143.289%0.88981%0.812SS**  trans-142.7109.4142.3-104.6-55.4000110.8D401D401-H403 PolarHBondContact O-N 3.36Å
404E27.6Very low29.1Very low167 Ų167145.1 Ų145.178%0.7882%0.815SS**  trans-57.6146159.5-69.5177.7135.600111
405T28.1Very low29Very low114 Ų114142.8 Ų142.870%0.69981%0.813SS**  trans60.1106.1141.754.90000119
406N30Very low29.1Very low139 Ų139140.2 Ų140.274%0.74381%0.811SS**  -175.912598.5-98.7-31.5000113.6
407M29.3Very low29.3Very low158 Ų158140.1 Ų140.178%0.77881%0.808SS**  trans24.9104.4132.2-69.7-161.1-70.500119.6
408S27.6Very low29.2Very low91 Ų91144.7 Ų144.764%0.63682%0.818SS**  56.7132.5105.974.40000121.7
409I32.1Very low29.2Very low163 Ų163146.3 Ų146.384%0.83682%0.819SS**  trans99.196.2149.4-49.4160.8000116.6
410S36.8Very low29.4Very low187 Ų187145 Ų145100%1.30882%0.817SS**  -148.2096.9580000110.5

Retrieved 410 of 410 residues in 135.5 ms (Link to these results)

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