G4VLJ1_SCHMA Loading...

Transmembrane protein 115

AlphaFold DB , UniProt , Accession G4VLJ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 344 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
1M51.5Low70.2Confident248 Ų248122.5 Ų122.5100%1.22263%0.634SS**  086.30-167.1-179.8-16100108.1
2T62Low70.1Confident147 Ų147119.8 Ų119.890%0.90263%0.627SS**  trans-84.8112.1179.234.30000109N4T2-N4 PolarHBondContact O-N 3.27Å
3M67.5Low69.9Low113 Ų113124 Ų12456%0.55764%0.637SS**  trans-70.9120.5175.4-162.9169.56600108.6S7 A8M3-S7 WeakPolarHBondContact CG-OG 3.39Å; M3-A8 HydrophobicContact CE-CB 3.69Å
4N82.8Confident69.5Low113 Ų113120.9 Ų120.960%0.60463%0.627SS**  trans-60146.7178.1-173.7-10.9000110.7T2 A6 S7 A8T2-N4 PolarHBondContact O-N 3.27Å; N4-A6 PolarHBondContact O-N 3.24Å; N4-A6 VanDerWaalsContact O-N 3.12Å; N4-S7 PolarHBondContact N-OG 2.85Å; N4-S7 PolarHBondContact O-N 3.18Å; N4-S7 PolarHBondContact O-OG 3.33Å; N4-A8 PolarHBondContact O-N 3.3Å
5I78.8Confident69.3Low130 Ų130116.7 Ų116.767%0.66761%0.611SS**Hα-helixtrans-51.9-38.3179.7-62.9169.9000111.4A8 L9I5-A8 WeakPolarHBondContact O-CB 3.36Å; I5-A8 PolarHBondContact O-N 3.4Å; I5-L9 HydrophobicContact CG2-CD1 3.97Å; I5-L9 HydrophobicContact CG2-CG 4.3Å; I5-L9 WeakPolarHBondContact O-CB 3.47Å; I5-L9 VanDerWaalsContact O-CG 3.3Å; I5-L9 WeakPolarHBondContact O-CG 3.4Å; I5-L9 PolarHBondContact O-N 3.34Å
6A74.8Confident70Confident64 Ų64115.8 Ų115.853%0.52961%0.607SS.*Hα-helixtrans-65.7-39.517700000113.1N4 R10N4-A6 PolarHBondContact O-N 3.24Å; N4-A6 VanDerWaalsContact O-N 3.12Å; A6-R10 WeakPolarHBondContact O-CB 3.39Å; A6-R10 PolarHBondContact O-N 3.18Å
7S74.9Confident70.8Confident51 Ų51109.7 Ų109.736%0.35758%0.576SS.*Hα-helixtrans-73.4-33.4174.151.40000111.4M3 N4 R10 Y11M3-S7 WeakPolarHBondContact CG-OG 3.39Å; N4-S7 PolarHBondContact N-OG 2.85Å; N4-S7 PolarHBondContact O-N 3.18Å; N4-S7 PolarHBondContact O-OG 3.33Å; S7-R10 PolarHBondContact O-N 3.04Å; S7-Y11 WeakPolarHBondContact O-CB 3.42Å; S7-Y11 PolarHBondContact O-N 3.1Å
8A73.3Confident71.7Confident29 Ų29106.6 Ų106.624%0.2456%0.555CS.*Hα-helixtrans-62.9-4517200000112.7M3 N4 I5 Y11 T12M3-A8 HydrophobicContact CE-CB 3.69Å; N4-A8 PolarHBondContact O-N 3.3Å; I5-A8 WeakPolarHBondContact O-CB 3.36Å; I5-A8 PolarHBondContact O-N 3.4Å; A8-Y11 PolarHBondContact O-N 3.15Å; A8-T12 WeakPolarHBondContact O-CB 3.45Å; A8-T12 PolarHBondContact O-N 2.86Å; A8-T12 PolarHBondContact O-OG1 2.92Å
9L73Confident72.6Confident114 Ų114111 Ų11160%0.59756%0.564SS**Hα-helixtrans-66.1-42.6175.7-72.5171.4000111.5I5 Y11 T12 K13I5-L9 HydrophobicContact CG2-CD1 3.97Å; I5-L9 HydrophobicContact CG2-CG 4.3Å; I5-L9 WeakPolarHBondContact O-CB 3.47Å; I5-L9 VanDerWaalsContact O-CG 3.3Å; I5-L9 WeakPolarHBondContact O-CG 3.4Å; I5-L9 PolarHBondContact O-N 3.34Å; L9-Y11 VanDerWaalsContact C-N 3.35Å; L9-T12 PolarHBondContact O-N 2.94Å; L9-K13 WeakPolarHBondContact O-CB 3.36Å; L9-K13 PolarHBondContact O-N 2.73Å
10R69.9Low73.5Confident195 Ų195107.6 Ų107.674%0.73655%0.546SS*.Hα-helixtrans-61-45.1174.3-171.7-175.5-70-153.5-0.3110.8A6 S7 K13 V14A6-R10 WeakPolarHBondContact O-CB 3.39Å; A6-R10 PolarHBondContact O-N 3.18Å; S7-R10 PolarHBondContact O-N 3.04Å; R10-K13 PolarHBondContact O-N 3.05Å; R10-V14 WeakPolarHBondContact O-CB 3.35Å; R10-V14 WeakPolarHBondContact O-CG2 3.49Å; R10-V14 PolarHBondContact O-N 3.14Å
11Y63.6Low74.4Confident143 Ų143102.9 Ų102.956%0.56152%0.522SS*.Hα-helixtrans-63.8-44.8177.8-170.2-91.7000111.7S7 A8 L9 K13 V14 C15S7-Y11 WeakPolarHBondContact O-CB 3.42Å; S7-Y11 PolarHBondContact O-N 3.1Å; A8-Y11 PolarHBondContact O-N 3.15Å; L9-Y11 VanDerWaalsContact C-N 3.35Å; Y11-K13 VanDerWaalsContact C-N 3.32Å; Y11-K13 PolarHBondContact O-N 2.89Å; Y11-V14 CarbonylContact O-C 3.56Å; Y11-V14 PolarHBondContact O-N 2.95Å; Y11-V14 VanDerWaalsContact O-N 3.13Å; Y11-C15 HydrophobicContact CE1-CB 4.48Å; Y11-C15 VanDerWaalsContact CE1-SG 3.53Å; Y11-C15 WeakPolarHBondContact O-CB 3.42Å; Y11-C15 PolarHBondContact O-N 3.39Å
12T68.6Low76.4Confident90 Ų9095.9 Ų95.955%0.55249%0.485SS*.Hα-helixtrans-60.3-42.7176.8-56.10000111.1A8 L9 C15 N16A8-T12 WeakPolarHBondContact O-CB 3.45Å; A8-T12 PolarHBondContact O-N 2.86Å; A8-T12 PolarHBondContact O-OG1 2.92Å; L9-T12 PolarHBondContact O-N 2.94Å; T12-C15 PolarHBondContact O-N 2.81Å; T12-N16 WeakPolarHBondContact O-CB 3.43Å; T12-N16 PolarHBondContact O-N 3.08Å
13K67.6Low77.9Confident175 Ų17594.7 Ų94.776%0.76147%0.468SS*.Hα-helixtrans-65.7-39.4175.4-168.2174.7-176.7176.40112L9 R10 Y11L9-K13 WeakPolarHBondContact O-CB 3.36Å; L9-K13 PolarHBondContact O-N 2.73Å; R10-K13 PolarHBondContact O-N 3.05Å; Y11-K13 VanDerWaalsContact C-N 3.32Å; Y11-K13 PolarHBondContact O-N 2.89Å
14V65Low79.2Confident81 Ų8191.2 Ų91.249%0.49145%0.452SS..Hα-helixtrans-68.5-37176.6171.80000111.4R10 Y11 K86R10-V14 WeakPolarHBondContact O-CB 3.35Å; R10-V14 WeakPolarHBondContact O-CG2 3.49Å; R10-V14 PolarHBondContact O-N 3.14Å; Y11-V14 CarbonylContact O-C 3.56Å; Y11-V14 PolarHBondContact O-N 2.95Å; Y11-V14 VanDerWaalsContact O-N 3.13Å; V14-K86 WeakPolarHBondContact O-CD 3.38Å; V14-K86 WeakPolarHBondContact O-CE 3.19Å; V14-K86 PolarHBondContact O-NZ 2.85Å
15C66Low79.8Confident57 Ų5787.2 Ų87.239%0.38543%0.431SS..Hα-helixtrans-85-16.9179.4-78.40000114Y11 T12 C17Y11-C15 HydrophobicContact CE1-CB 4.48Å; Y11-C15 VanDerWaalsContact CE1-SG 3.53Å; Y11-C15 WeakPolarHBondContact O-CB 3.42Å; Y11-C15 PolarHBondContact O-N 3.39Å; T12-C15 PolarHBondContact O-N 2.81Å; C15-C17 PolarHBondContact O-N 3.11Å
16N80.1Confident80.7Confident102 Ų10284.6 Ų84.655%0.54542%0.423SS..  trans-70.2107.1177.6-16222000109.8T12 K22 K86T12-N16 WeakPolarHBondContact O-CB 3.43Å; T12-N16 PolarHBondContact O-N 3.08Å; N16-K22 PolarHBondContact OD1-NZ 2.8Å; N16-K86 PolarHBondContact O-NZ 3.44Å
17C83.6Confident81.7Confident13 Ų1383.7 Ų83.79%0.08841%0.409CS..  trans-88.1153.6171.9-62.70000110C15 T21 K22 F82 D85C15-C17 PolarHBondContact O-N 3.11Å; C17-T21 HydrophobicContact CB-CG2 4.05Å; C17-K22 HydrophobicContact CB-CG 4.33Å; C17-K22 VanDerWaalsContact O-CE 3.29Å; C17-K22 WeakPolarHBondContact O-CE 3.42Å; C17-F82 VanDerWaalsContact SG-CD2 3.57Å; C17-D85 WeakPolarHBondContact CA-OD2 3.26Å
18R87Confident82.7Confident54 Ų5481.3 Ų81.320%0.20439%0.392CS..  trans-58.7151.6171.9-66.7-179-66.3-171.5-2.8111Q20 T21 K22 D85R18-Q20 PolarHBondContact O-N 3.47Å; R18-T21 WeakPolarHBondContact O-CB 3.12Å; R18-T21 PolarHBondContact O-N 3.23Å; R18-T21 VanDerWaalsContact O-N 3.08Å; R18-K22 PolarHBondContact O-N 3.06Å; R18-K22 VanDerWaalsContact O-N 3.13Å; R18-D85 IonicContact CZ-OD1 3.23Å; R18-D85 VanDerWaalsContact CZ-OD1 3.23Å; R18-D85 PolarHBondContact N-OD2 2.9Å; R18-D85 IonicContact NE-OD1 2.72Å; R18-D85 PolarHBondContact NE-OD1 3.41Å; R18-D85 IonicContact NH2-OD1 2.85Å; R18-D85 PolarHBondContact NH2-OD1 3.26Å
19W89.8Confident83.9Confident190 Ų19082.7 Ų82.772%0.7240%0.399SS*.Hα-helixtrans-61.6-33.7-179.272.3-81.2000112.3T21 K22 F23W19-T21 VanDerWaalsContact C-N 3.32Å; W19-T21 PolarHBondContact O-N 3.1Å; W19-K22 PolarHBondContact O-N 3.02Å; W19-F23 WeakPolarHBondContact O-CB 3.29Å; W19-F23 PolarHBondContact O-N 2.63Å
20Q90.9Very high85Confident43 Ų4382.3 Ų82.320%0.20140%0.397CS..Hα-helixtrans-62.6-39.4174.4-56.393.7-26.700112R18 F23 V24R18-Q20 PolarHBondContact O-N 3.47Å; Q20-F23 WeakPolarHBondContact O-CB 3.46Å; Q20-F23 PolarHBondContact O-N 3.38Å; Q20-V24 WeakPolarHBondContact O-CG2 3.47Å; Q20-V24 PolarHBondContact O-N 3.13Å
21T91.8Very high86.3Confident8 Ų873.7 Ų73.75%0.04937%0.366CS..Hα-helixtrans-65.1-45.1178-54.80000110.5C17 R18 W19 F23 V24 M25 V81 D85C17-T21 HydrophobicContact CB-CG2 4.05Å; R18-T21 WeakPolarHBondContact O-CB 3.12Å; R18-T21 PolarHBondContact O-N 3.23Å; R18-T21 VanDerWaalsContact O-N 3.08Å; W19-T21 VanDerWaalsContact C-N 3.32Å; W19-T21 PolarHBondContact O-N 3.1Å; T21-F23 VanDerWaalsContact C-N 3.32Å; T21-F23 PolarHBondContact O-N 3.05Å; T21-V24 PolarHBondContact O-N 2.81Å; T21-M25 HydrophobicContact CG2-CE 3.89Å; T21-M25 HydrophobicContact CG2-SD 4.43Å; T21-M25 VanDerWaalsContact O-CG 3.31Å; T21-M25 WeakPolarHBondContact O-CG 3.01Å; T21-M25 PolarHBondContact O-N 3.19Å; T21-V81 HydrophobicContact CG2-CG1 3.54Å; T21-D85 HydrophobicContact CG2-CB 3.67Å; T21-D85 VanDerWaalsContact OG1-CG 3.27Å; T21-D85 PolarHBondContact OG1-OD1 2.95Å
22K93.1Very high87.8Confident101 Ų10169 Ų6944%0.43935%0.348SS..Hα-helixtrans-60.3-42.9174-64.4177.2-175.1171.30111.2N16 C17 R18 W19 M25 C26N16-K22 PolarHBondContact OD1-NZ 2.8Å; C17-K22 HydrophobicContact CB-CG 4.33Å; C17-K22 VanDerWaalsContact O-CE 3.29Å; C17-K22 WeakPolarHBondContact O-CE 3.42Å; R18-K22 PolarHBondContact O-N 3.06Å; R18-K22 VanDerWaalsContact O-N 3.13Å; W19-K22 PolarHBondContact O-N 3.02Å; K22-M25 PolarHBondContact O-N 3.48Å; K22-C26 PolarHBondContact O-N 3.12Å; K22-C26 PolarHBondContact O-SG 3.03Å
23F94.5Very high89.2Confident123 Ų12368.3 Ų68.354%0.53935%0.347SS..Hα-helixtrans-59.4-47176.7175.6-104.5000112.4W19 Q20 T21 M25 C26 I27W19-F23 WeakPolarHBondContact O-CB 3.29Å; W19-F23 PolarHBondContact O-N 2.63Å; Q20-F23 WeakPolarHBondContact O-CB 3.46Å; Q20-F23 PolarHBondContact O-N 3.38Å; T21-F23 VanDerWaalsContact C-N 3.32Å; T21-F23 PolarHBondContact O-N 3.05Å; F23-M25 PolarHBondContact O-N 3.17Å; F23-C26 PolarHBondContact O-N 3.31Å; F23-I27 HydrophobicContact CD1-CD1 3.83Å; F23-I27 HydrophobicContact CD2-CD1 4.4Å; F23-I27 HydrophobicContact CE1-CD1 3.29Å; F23-I27 HydrophobicContact CE1-CG1 4.48Å; F23-I27 HydrophobicContact CE2-CD1 3.94Å; F23-I27 HydrophobicContact CE2-CG1 4.47Å; F23-I27 HydrophobicContact CG-CD1 4.37Å; F23-I27 HydrophobicContact CZ-CD1 3.37Å; F23-I27 HydrophobicContact CZ-CG1 4.35Å; F23-I27 WeakPolarHBondContact O-CG1 3.2Å; F23-I27 PolarHBondContact O-N 3.38Å
24V94.6Very high90.5Very high39 Ų3962.9 Ų62.924%0.23633%0.326CS..Hα-helixtrans-62-43.8176.3174.20000111.2Q20 T21 C26 I27 Q28 V81Q20-V24 WeakPolarHBondContact O-CG2 3.47Å; Q20-V24 PolarHBondContact O-N 3.13Å; T21-V24 PolarHBondContact O-N 2.81Å; V24-C26 VanDerWaalsContact C-N 3.35Å; V24-C26 PolarHBondContact O-N 2.64Å; V24-I27 PolarHBondContact O-N 3.16Å; V24-Q28 VanDerWaalsContact O-CG 3.31Å; V24-Q28 WeakPolarHBondContact O-CG 3.38Å; V24-Q28 PolarHBondContact O-N 2.85Å; V24-V81 HydrophobicContact CB-CG1 4.35Å; V24-V81 HydrophobicContact CG1-CG1 4.21Å; V24-V81 HydrophobicContact CG1-CG2 3.99Å
25M95.8Very high91.9Very high30 Ų3059.9 Ų59.915%0.14831%0.309CS..Hα-helixtrans-59.8-43.1176-70.7171.9172.600112.2T21 K22 F23 Q28 C29 I78 V81 F82T21-M25 HydrophobicContact CG2-CE 3.89Å; T21-M25 HydrophobicContact CG2-SD 4.43Å; T21-M25 VanDerWaalsContact O-CG 3.31Å; T21-M25 WeakPolarHBondContact O-CG 3.01Å; T21-M25 PolarHBondContact O-N 3.19Å; K22-M25 PolarHBondContact O-N 3.48Å; F23-M25 PolarHBondContact O-N 3.17Å; M25-Q28 PolarHBondContact O-N 2.82Å; M25-C29 PolarHBondContact O-N 3.36Å; M25-C29 VanDerWaalsContact O-N 3.13Å; M25-C29 PolarHBondContact O-SG 3.21Å; M25-C29 VanDerWaalsContact O-SG 3.39Å; M25-I78 HydrophobicContact CB-CD1 3.69Å; M25-I78 HydrophobicContact CE-CG2 4.21Å; M25-I78 HydrophobicContact CG-CD1 3.77Å; M25-I78 HydrophobicContact CG-CG2 4.4Å; M25-I78 HydrophobicContact SD-CG2 4.37Å; M25-V81 HydrophobicContact CE-CB 4.28Å; M25-V81 HydrophobicContact CE-CG1 4.1Å; M25-V81 HydrophobicContact CG-CB 4.45Å; M25-V81 HydrophobicContact CG-CG1 4.05Å; M25-F82 HydrophobicContact CE-CB 3.64Å; M25-F82 HydrophobicContact CE-CD2 4.47Å
26C96.7Very high93.3Very high75 Ų7563.2 Ų63.251%0.50732%0.318SS..Hα-helixtrans-62.5-43.2176.2-70.30000112K22 F23 V24 Q28 C29 I30K22-C26 PolarHBondContact O-N 3.12Å; K22-C26 PolarHBondContact O-SG 3.03Å; F23-C26 PolarHBondContact O-N 3.31Å; V24-C26 VanDerWaalsContact C-N 3.35Å; V24-C26 PolarHBondContact O-N 2.64Å; C26-Q28 VanDerWaalsContact C-N 3.34Å; C26-Q28 PolarHBondContact O-N 3.1Å; C26-C29 PolarHBondContact O-N 3.26Å; C26-I30 WeakPolarHBondContact O-CG1 3.33Å; C26-I30 PolarHBondContact O-N 2.96Å
27I96.5Very high94Very high45 Ų4562.1 Ų62.123%0.23131%0.312CS..Hα-helixtrans-60.1-44.9176.1-72.5172.2000110.9F23 V24 C29 I30 C31 F66F23-I27 HydrophobicContact CD1-CD1 3.83Å; F23-I27 HydrophobicContact CD2-CD1 4.4Å; F23-I27 HydrophobicContact CE1-CD1 3.29Å; F23-I27 HydrophobicContact CE1-CG1 4.48Å; F23-I27 HydrophobicContact CE2-CD1 3.94Å; F23-I27 HydrophobicContact CE2-CG1 4.47Å; F23-I27 HydrophobicContact CG-CD1 4.37Å; F23-I27 HydrophobicContact CZ-CD1 3.37Å; F23-I27 HydrophobicContact CZ-CG1 4.35Å; F23-I27 WeakPolarHBondContact O-CG1 3.2Å; F23-I27 PolarHBondContact O-N 3.38Å; V24-I27 PolarHBondContact O-N 3.16Å; I27-C29 VanDerWaalsContact C-N 3.3Å; I27-C29 PolarHBondContact O-N 2.97Å; I27-I30 PolarHBondContact O-N 2.91Å; I27-I30 VanDerWaalsContact O-N 3.15Å; I27-C31 WeakPolarHBondContact O-CB 3.16Å; I27-C31 PolarHBondContact O-N 3.43Å; I27-C31 PolarHBondContact O-SG 3.01Å; I27-F66 HydrophobicContact CG2-CB 4.06Å; I27-F66 HydrophobicContact CG2-CD1 3.84Å; I27-F66 HydrophobicContact CG2-CG 4.2Å
28Q96.3Very high94.5Very high0 Ų066.4 Ų66.40%034%0.339CS..Hα-helixtrans-57.4-43.8177.3-69.1-73.8-7.100111.7V24 M25 C26 C31 Y32 S65 F66 L74 I78V24-Q28 VanDerWaalsContact O-CG 3.31Å; V24-Q28 WeakPolarHBondContact O-CG 3.38Å; V24-Q28 PolarHBondContact O-N 2.85Å; M25-Q28 PolarHBondContact O-N 2.82Å; C26-Q28 VanDerWaalsContact C-N 3.34Å; C26-Q28 PolarHBondContact O-N 3.1Å; Q28-C31 PolarHBondContact O-N 3.08Å; Q28-Y32 WeakPolarHBondContact O-CB 3.3Å; Q28-Y32 PolarHBondContact O-N 3.42Å; Q28-S65 PolarHBondContact NE2-O 3.37Å; Q28-F66 PolarHBondContact OE1-O 3.13Å; Q28-L74 HydrophobicContact CB-CD1 3.87Å; Q28-I78 HydrophobicContact CB-CD1 4.21Å
29C97Very high94.7Very high58 Ų5869.9 Ų69.939%0.39236%0.362SS..Hα-helixtrans-64.2-40.8176.4-66.30000112.5M25 C26 I27 Y32 S33M25-C29 PolarHBondContact O-N 3.36Å; M25-C29 VanDerWaalsContact O-N 3.13Å; M25-C29 PolarHBondContact O-SG 3.21Å; M25-C29 VanDerWaalsContact O-SG 3.39Å; C26-C29 PolarHBondContact O-N 3.26Å; I27-C29 VanDerWaalsContact C-N 3.3Å; I27-C29 PolarHBondContact O-N 2.97Å; C29-Y32 PolarHBondContact O-N 2.97Å; C29-S33 PolarHBondContact O-N 3.37Å; C29-S33 PolarHBondContact O-OG 3.06Å
30I96.8Very high94.9Very high107 Ų10763.2 Ų63.255%0.54934%0.339SS..Hα-helixtrans-64-46.7176.8-67.6165.9000110.4C26 I27 Y32 S33 L34C26-I30 WeakPolarHBondContact O-CG1 3.33Å; C26-I30 PolarHBondContact O-N 2.96Å; I27-I30 PolarHBondContact O-N 2.91Å; I27-I30 VanDerWaalsContact O-N 3.15Å; I30-Y32 VanDerWaalsContact C-N 3.31Å; I30-Y32 PolarHBondContact O-N 2.99Å; I30-S33 WeakPolarHBondContact O-CB 3.04Å; I30-S33 PolarHBondContact O-N 2.6Å; I30-S33 VanDerWaalsContact O-N 3.13Å; I30-L34 PolarHBondContact O-N 3.47Å
31C96.2Very high95Very high14 Ų1464 Ų6410%0.09535%0.345CS..Hα-helixtrans-64.6-34.8177.8-72.10000112.5I27 Q28 L34 S35 F66 Y67I27-C31 WeakPolarHBondContact O-CB 3.16Å; I27-C31 PolarHBondContact O-N 3.43Å; I27-C31 PolarHBondContact O-SG 3.01Å; Q28-C31 PolarHBondContact O-N 3.08Å; C31-L34 WeakPolarHBondContact O-CB 3.31Å; C31-L34 PolarHBondContact O-N 3.47Å; C31-S35 PolarHBondContact O-N 2.88Å; C31-S35 VanDerWaalsContact O-N 3.13Å; C31-F66 WeakPolarHBondContact CB-O 3.14Å; C31-Y67 HydrophobicContact CB-CD2 4.18Å; C31-Y67 WeakPolarHBondContact O-CE2 3.44Å
32Y96.9Very high95.1Very high43 Ų4364.4 Ų64.417%0.16935%0.348CS..Hα-helixtrans-63.6-41.8170.3175.2-102.2000112Q28 C29 I30 L34 S35 H36 N68 L71 L74Q28-Y32 WeakPolarHBondContact O-CB 3.3Å; Q28-Y32 PolarHBondContact O-N 3.42Å; C29-Y32 PolarHBondContact O-N 2.97Å; I30-Y32 VanDerWaalsContact C-N 3.31Å; I30-Y32 PolarHBondContact O-N 2.99Å; Y32-L34 VanDerWaalsContact C-N 3.29Å; Y32-L34 PolarHBondContact O-N 3.43Å; Y32-S35 VanDerWaalsContact O-CB 3.28Å; Y32-S35 WeakPolarHBondContact O-CB 3.14Å; Y32-S35 PolarHBondContact O-N 3.13Å; Y32-S35 PolarHBondContact O-OG 3.3Å; Y32-H36 AromaticContact CE1-CE1 3.52Å; Y32-H36 AromaticContact CZ-CE1 3.66Å; Y32-H36 PolarHBondContact O-ND1 3.13Å; Y32-H36 VanDerWaalsContact O-ND1 3.13Å; Y32-N68 WeakPolarHBondContact CD2-O 3.47Å; Y32-L71 HydrophobicContact CE1-CD1 4.22Å; Y32-L71 HydrophobicContact CE2-CB 4.42Å; Y32-L74 HydrophobicContact CD1-CD2 3.75Å; Y32-L74 HydrophobicContact CD2-CB 4.3Å; Y32-L74 HydrophobicContact CD2-CD2 4.07Å; Y32-L74 HydrophobicContact CE1-CD2 4.33Å; Y32-L74 HydrophobicContact CG-CD2 3.6Å
33S96.3Very high95.1Very high77 Ų7765 Ų6554%0.53835%0.348SS..Hα-helixtrans-59.4-41.4173.7-61.10000111.6C29 I30 S35 H36C29-S33 PolarHBondContact O-N 3.37Å; C29-S33 PolarHBondContact O-OG 3.06Å; I30-S33 WeakPolarHBondContact O-CB 3.04Å; I30-S33 PolarHBondContact O-N 2.6Å; I30-S33 VanDerWaalsContact O-N 3.13Å; S33-S35 PolarHBondContact O-N 3.26Å; S33-H36 PolarHBondContact O-N 3.02Å; S33-H36 PolarHBondContact O-ND1 2.99Å
34L95.1Very high95.2Very high60 Ų6061.4 Ų61.431%0.31433%0.333SS..Hα-helixtrans-61.7-27.4174.4-65.6174.9000113I30 C31 Y32 H36 I37 M40 F44I30-L34 PolarHBondContact O-N 3.47Å; C31-L34 WeakPolarHBondContact O-CB 3.31Å; C31-L34 PolarHBondContact O-N 3.47Å; Y32-L34 VanDerWaalsContact C-N 3.29Å; Y32-L34 PolarHBondContact O-N 3.43Å; L34-H36 PolarHBondContact O-N 3.38Å; L34-H36 VanDerWaalsContact O-N 3.14Å; L34-I37 HydrophobicContact CD2-CD1 4.03Å; L34-I37 WeakPolarHBondContact O-CB 3.33Å; L34-I37 PolarHBondContact O-N 3.43Å; L34-M40 WeakPolarHBondContact O-CG 3.48Å; L34-F44 HydrophobicContact CD1-CZ 4.26Å
35S95.2Very high95.3Very high19 Ų1959.5 Ų59.513%0.13332%0.321CS..THydrogen-bonded Turntrans-64.2-18.1-179.479.50000114.8C31 Y32 S33 I37 Y67C31-S35 PolarHBondContact O-N 2.88Å; C31-S35 VanDerWaalsContact O-N 3.13Å; Y32-S35 VanDerWaalsContact O-CB 3.28Å; Y32-S35 WeakPolarHBondContact O-CB 3.14Å; Y32-S35 PolarHBondContact O-N 3.13Å; Y32-S35 PolarHBondContact O-OG 3.3Å; S33-S35 PolarHBondContact O-N 3.26Å; S35-I37 VanDerWaalsContact C-N 3.25Å; S35-I37 PolarHBondContact O-N 3.01Å; S35-Y67 WeakPolarHBondContact CA-OH 3.3Å; S35-Y67 VanDerWaalsContact CB-CZ 3.46Å; S35-Y67 WeakPolarHBondContact CB-OH 3.29Å
36H95Very high95.3Very high127 Ų12758.1 Ų58.159%0.58831%0.314SS*.THydrogen-bonded Turntrans-76-15.3175.5-61.278.5000112.5Y32 S33 L34Y32-H36 AromaticContact CE1-CE1 3.52Å; Y32-H36 AromaticContact CZ-CE1 3.66Å; Y32-H36 PolarHBondContact O-ND1 3.13Å; Y32-H36 VanDerWaalsContact O-ND1 3.13Å; S33-H36 PolarHBondContact O-N 3.02Å; S33-H36 PolarHBondContact O-ND1 2.99Å; L34-H36 PolarHBondContact O-N 3.38Å; L34-H36 VanDerWaalsContact O-N 3.14Å
37I95.1Very high95.2Very high79 Ų7955.1 Ų55.141%0.40529%0.293SS..SBendtrans-77.4132.9174.6-56.4170.7000108.4L34 S35 M40L34-I37 HydrophobicContact CD2-CD1 4.03Å; L34-I37 WeakPolarHBondContact O-CB 3.33Å; L34-I37 PolarHBondContact O-N 3.43Å; S35-I37 VanDerWaalsContact C-N 3.25Å; S35-I37 PolarHBondContact O-N 3.01Å; I37-M40 HydrophobicContact CB-CE 4Å; I37-M40 HydrophobicContact CB-CG 3.66Å; I37-M40 HydrophobicContact CD1-CE 4.21Å; I37-M40 HydrophobicContact CG2-CE 3.52Å; I37-M40 HydrophobicContact CG2-CG 4.03Å; I37-M40 WeakPolarHBondContact O-CB 3.14Å; I37-M40 WeakPolarHBondContact O-CG 3.28Å; I37-M40 PolarHBondContact O-N 3.13Å
38P93.3Very high95.1Very high103 Ų10353.1 Ų53.167%0.66928%0.284SS*.THydrogen-bonded Turntrans-53.9145.6-179.5-24.131.7000112.7M40P38-M40 PolarHBondContact O-N 3.14Å
39N91.1Very high94.9Very high127 Ų12753.6 Ų53.668%0.67929%0.288SS*.THydrogen-bonded Turntrans64.80.6175.7-56.2-42.6000116.7N41 S42 Y43N39-N41 VanDerWaalsContact C-N 3.25Å; N39-N41 PolarHBondContact O-N 3.24Å; N39-S42 PolarHBondContact O-N 2.9Å; N39-S42 VanDerWaalsContact O-N 3.11Å; N39-S42 PolarHBondContact O-OG 3.46Å; N39-Y43 WeakPolarHBondContact O-CD2 3.48Å
40M94.3Very high94.8Very high49 Ų4953.4 Ų53.424%0.24128%0.28CS..THydrogen-bonded Turntrans-60.9-32.2179.9-74.1-59.2165.600113.5L34 I37 P38 S42 Y43 F44 Y67L34-M40 WeakPolarHBondContact O-CG 3.48Å; I37-M40 HydrophobicContact CB-CE 4Å; I37-M40 HydrophobicContact CB-CG 3.66Å; I37-M40 HydrophobicContact CD1-CE 4.21Å; I37-M40 HydrophobicContact CG2-CE 3.52Å; I37-M40 HydrophobicContact CG2-CG 4.03Å; I37-M40 WeakPolarHBondContact O-CB 3.14Å; I37-M40 WeakPolarHBondContact O-CG 3.28Å; I37-M40 PolarHBondContact O-N 3.13Å; P38-M40 PolarHBondContact O-N 3.14Å; M40-S42 PolarHBondContact O-N 3.24Å; M40-S42 VanDerWaalsContact O-N 3.08Å; M40-Y43 PolarHBondContact O-N 3.27Å; M40-F44 HydrophobicContact CB-CD2 4.35Å; M40-F44 WeakPolarHBondContact O-CD2 3.19Å; M40-F44 PolarHBondContact O-N 3.2Å; M40-F44 VanDerWaalsContact O-N 3.14Å; M40-F44 HydrophobicContact SD-CD2 4.39Å; M40-F44 HydrophobicContact SD-CE2 3.9Å; M40-Y67 HydrophobicContact CB-CE2 4.47Å
41N93.8Very high94.6Very high59 Ų5948.9 Ų48.932%0.31626%0.257SS..Hα-helixtrans-51.8-37175.4-66.4-19000112.6N39 Y43 C45 Y67N39-N41 VanDerWaalsContact C-N 3.25Å; N39-N41 PolarHBondContact O-N 3.24Å; N41-Y43 VanDerWaalsContact C-N 3.28Å; N41-Y43 PolarHBondContact O-N 3.15Å; N41-C45 VanDerWaalsContact O-CB 3.31Å; N41-C45 WeakPolarHBondContact O-CB 3.37Å; N41-C45 PolarHBondContact O-N 3.09Å; N41-Y67 PolarHBondContact N-OH 3.31Å; N41-Y67 WeakPolarHBondContact OD1-CE1 3.47Å; N41-Y67 PolarHBondContact OD1-OH 3.15Å
42S93.1Very high94.2Very high18 Ų1852.3 Ų52.313%0.12627%0.274CS..Hα-helixtrans-70.2-24.5-178.776.50000113.7N39 M40 R57N39-S42 PolarHBondContact O-N 2.9Å; N39-S42 VanDerWaalsContact O-N 3.11Å; N39-S42 PolarHBondContact O-OG 3.46Å; M40-S42 PolarHBondContact O-N 3.24Å; M40-S42 VanDerWaalsContact O-N 3.08Å; S42-R57 VanDerWaalsContact CB-NH1 3.29Å; S42-R57 PolarHBondContact O-NH1 3.4Å; S42-R57 PolarHBondContact OG-NH1 3.45Å
43Y94.4Very high93.8Very high112 Ų11254.4 Ų54.444%0.43929%0.293SS..Hα-helixtrans-94.2-26.6-177.5-66.3-76.6000112.7N39 M40 N41 W59N39-Y43 WeakPolarHBondContact O-CD2 3.48Å; M40-Y43 PolarHBondContact O-N 3.27Å; N41-Y43 VanDerWaalsContact C-N 3.28Å; N41-Y43 PolarHBondContact O-N 3.15Å; Y43-W59 PolarHBondContact O-NE1 3.45Å
44F95.5Very high93.6Very high48 Ų4855.7 Ų55.721%0.21130%0.299CS..Hα-helixtrans-107.5-36.6-175-73.1-85.9000114.2L34 M40 T63 S64 Y67L34-F44 HydrophobicContact CD1-CZ 4.26Å; M40-F44 HydrophobicContact CB-CD2 4.35Å; M40-F44 WeakPolarHBondContact O-CD2 3.19Å; M40-F44 PolarHBondContact O-N 3.2Å; M40-F44 VanDerWaalsContact O-N 3.14Å; M40-F44 HydrophobicContact SD-CD2 4.39Å; M40-F44 HydrophobicContact SD-CE2 3.9Å; F44-T63 CarbonylContact O-C 3.5Å; F44-T63 PolarHBondContact O-OG1 2.99Å; F44-S64 WeakPolarHBondContact O-CA 3.46Å; F44-S64 PolarHBondContact O-N 2.6Å; F44-S64 VanDerWaalsContact O-N 3.08Å; F44-Y67 HydrophobicContact CB-CD1 3.87Å; F44-Y67 HydrophobicContact CB-CD2 3.48Å; F44-Y67 VanDerWaalsContact CB-CD2 3.48Å; F44-Y67 HydrophobicContact CB-CE1 4.26Å; F44-Y67 HydrophobicContact CB-CE2 3.9Å; F44-Y67 HydrophobicContact CB-CG 3.44Å; F44-Y67 VanDerWaalsContact CB-CG 3.44Å; F44-Y67 HydrophobicContact CD1-CD2 4.09Å; F44-Y67 HydrophobicContact CD2-CD2 4.08Å; F44-Y67 HydrophobicContact CD2-CE2 4.01Å; F44-Y67 AromaticContact CG-CD2 3.62Å; F44-Y67 HydrophobicContact CG-CD2 3.62Å; F44-Y67 HydrophobicContact CG-CE2 4Å; F44-Y67 HydrophobicContact CG-CG 4.08Å
45C96.3Very high93.4Very high0 Ų058.6 Ų58.60%031%0.307CS..SBendtrans-87.7151.3178.1-59.70000111.3N41 I47 T60 Y67 P133 C135N41-C45 VanDerWaalsContact O-CB 3.31Å; N41-C45 WeakPolarHBondContact O-CB 3.37Å; N41-C45 PolarHBondContact O-N 3.09Å; C45-I47 PolarHBondContact O-N 3.06Å; C45-T60 WeakPolarHBondContact O-CG2 3.26Å; C45-Y67 WeakPolarHBondContact SG-CD1 3.36Å; C45-Y67 WeakPolarHBondContact SG-CE1 3.26Å; C45-P133 HydrophobicContact CB-CB 3.68Å; C45-C135 HydrophobicContact CB-CB 3.68Å; C45-C135 WeakPolarHBondContact CB-SG 3.37Å; C45-C135 WeakPolarHBondContact SG-CB 3.49Å; C45-C135 CovalentContact SG-SG 2.06Å; C45-C135 PolarHBondContact SG-SG 3.41Å
46I96.4Very high93.4Very high0 Ų062.5 Ų62.50%032%0.322CS..BIsolated β-bridgetrans-76.9120.4172.3-54.8152.1000107.4T60 L61 S64 A113 V134I46-T60 VanDerWaalsContact CG1-O 3.3Å; I46-T60 WeakPolarHBondContact CG1-O 3.2Å; I46-L61 HydrophobicContact CD1-CD2 3.88Å; I46-L61 HydrophobicContact CG1-CD2 4.13Å; I46-L61 HydrophobicContact CG2-CD2 4.47Å; I46-S64 WeakPolarHBondContact CD1-OG 3.48Å; I46-A113 HydrophobicContact CG2-CB 3.64Å; I46-V134 HydrophobicContact CB-CB 4.19Å; I46-V134 PolarHBondContact N-O 3.33Å; I46-V134 PolarHBondContact O-N 3.48Å
47I95.4Very high93.3Very high12 Ų1257.9 Ų57.96%0.06230%0.299CS..  trans-119.8123.6174.4-64.6179.8000106.2C45 G49 Y50 L51 L129 F130 P133C45-I47 PolarHBondContact O-N 3.06Å; I47-G49 VanDerWaalsContact C-N 3.25Å; I47-G49 PolarHBondContact O-N 2.96Å; I47-G49 VanDerWaalsContact O-N 3.16Å; I47-Y50 HydrophobicContact CB-CD2 3.69Å; I47-Y50 HydrophobicContact CB-CE2 4.36Å; I47-Y50 HydrophobicContact CB-CG 4.45Å; I47-Y50 HydrophobicContact CD1-CD2 3.89Å; I47-Y50 HydrophobicContact CD1-CE2 3.87Å; I47-Y50 HydrophobicContact CG1-CD2 4.31Å; I47-Y50 HydrophobicContact CG2-CD2 3.75Å; I47-Y50 HydrophobicContact CG2-CE2 4.1Å; I47-Y50 HydrophobicContact CG2-CG 4.42Å; I47-Y50 PolarHBondContact O-N 3.28Å; I47-L51 PolarHBondContact O-N 3.45Å; I47-L129 WeakPolarHBondContact CG2-O 3.26Å; I47-F130 HydrophobicContact CG2-CB 4.44Å; I47-F130 HydrophobicContact CG2-CD1 4.22Å; I47-P133 HydrophobicContact CG1-CB 4.18Å
48G92.7Very high93.3Very high4 Ų459.4 Ų59.44%0.04130%0.303CS..Hα-helixtrans-52-43.5-170.800000113Y50 L51 F117 L129G48-Y50 VanDerWaalsContact C-N 3.31Å; G48-Y50 PolarHBondContact O-N 3.4Å; G48-L51 PolarHBondContact O-N 3.42Å; G48-F117 VanDerWaalsContact O-CZ 3.29Å; G48-F117 WeakPolarHBondContact O-CZ 3.28Å; G48-L129 PolarHBondContact N-O 3.09Å
49G92.8Very high93.4Very high9 Ų960.2 Ų60.29%0.09329%0.293CS..Hα-helixtrans-67.7-23.5179.900000115I47 L129I47-G49 VanDerWaalsContact C-N 3.25Å; I47-G49 PolarHBondContact O-N 2.96Å; I47-G49 VanDerWaalsContact O-N 3.16Å; G49-L129 PolarHBondContact N-O 2.78Å
50Y94.2Very high93.6Very high54 Ų5454.3 Ų54.321%0.21226%0.261CS..Hα-helixtrans-92-12.1178.2-64.9-42.2000113.9I47 G48 L52 Y55 F56 R57 F130I47-Y50 HydrophobicContact CB-CD2 3.69Å; I47-Y50 HydrophobicContact CB-CE2 4.36Å; I47-Y50 HydrophobicContact CB-CG 4.45Å; I47-Y50 HydrophobicContact CD1-CD2 3.89Å; I47-Y50 HydrophobicContact CD1-CE2 3.87Å; I47-Y50 HydrophobicContact CG1-CD2 4.31Å; I47-Y50 HydrophobicContact CG2-CD2 3.75Å; I47-Y50 HydrophobicContact CG2-CE2 4.1Å; I47-Y50 HydrophobicContact CG2-CG 4.42Å; I47-Y50 PolarHBondContact O-N 3.28Å; G48-Y50 VanDerWaalsContact C-N 3.31Å; G48-Y50 PolarHBondContact O-N 3.4Å; Y50-L52 VanDerWaalsContact C-N 3.33Å; Y50-Y55 HydrophobicContact CD1-CD1 4.3Å; Y50-Y55 AromaticContact CD1-CD2 3.51Å; Y50-Y55 HydrophobicContact CD1-CD2 3.51Å; Y50-Y55 AromaticContact CD1-CE2 3.8Å; Y50-Y55 HydrophobicContact CD1-CE2 3.8Å; Y50-Y55 AromaticContact CD1-CG 3.76Å; Y50-Y55 HydrophobicContact CD1-CG 3.76Å; Y50-Y55 HydrophobicContact CE1-CD2 4.08Å; Y50-Y55 HydrophobicContact CE1-CE1 4.43Å; Y50-Y55 AromaticContact CE1-CE2 3.89Å; Y50-Y55 HydrophobicContact CE1-CE2 3.89Å; Y50-Y55 HydrophobicContact CE1-CG 4.4Å; Y50-F56 PolarHBondContact O-N 3.27Å; Y50-R57 PolarHBondContact O-N 2.91Å; Y50-F130 HydrophobicContact CD1-CD1 4.21Å; Y50-F130 AromaticContact CD1-CE1 3.78Å; Y50-F130 HydrophobicContact CD1-CE1 3.78Å; Y50-F130 AromaticContact CE1-CD1 3.84Å; Y50-F130 HydrophobicContact CE1-CD1 3.84Å; Y50-F130 AromaticContact CE1-CE1 3.61Å; Y50-F130 HydrophobicContact CE1-CE1 3.61Å; Y50-F130 HydrophobicContact CE2-CD1 4.19Å; Y50-F130 HydrophobicContact CG-CE1 4.41Å; Y50-F130 AromaticContact CZ-CD1 3.81Å
51L92.7Very high93.5Very high13 Ų1352.9 Ų52.97%0.06825%0.254CS..Hα-helixtrans-74.1-28.7177.1-168.162.9000112.1I47 G48 F58 L61I47-L51 PolarHBondContact O-N 3.45Å; G48-L51 PolarHBondContact O-N 3.42Å; L51-F58 HydrophobicContact CD1-CD1 3.61Å; L51-F58 HydrophobicContact CD1-CE1 4.04Å; L51-F58 HydrophobicContact CG-CD1 4.4Å; L51-F58 HydrophobicContact CG-CE1 4.35Å; L51-L61 HydrophobicContact CD1-CD1 4.48Å; L51-L61 HydrophobicContact CD1-CD2 4.45Å; L51-L61 HydrophobicContact CD1-CG 4.35Å
52L89.3Confident93.5Very high86 Ų8656.4 Ų56.445%0.4527%0.267SS..SBendtrans-92.7169.6-178.7-71.3-171.2000112.5Y50 Y55 F56 F117Y50-L52 VanDerWaalsContact C-N 3.33Å; L52-Y55 PolarHBondContact O-N 3.46Å; L52-F56 PolarHBondContact O-N 3.46Å; L52-F117 HydrophobicContact CD1-CD1 4.08Å; L52-F117 HydrophobicContact CD1-CE1 3.28Å; L52-F117 HydrophobicContact CD1-CZ 3.75Å; L52-F117 HydrophobicContact CG-CE1 3.87Å; L52-F117 HydrophobicContact CG-CZ 3.84Å
53P88.3Confident93.6Very high87 Ų8757.4 Ų57.457%0.56527%0.272SS*.THydrogen-bonded Turntrans-52.1143.1168.9-14.217.2000111.1F56P53-F56 HydrophobicContact CB-CE1 4.21Å; P53-F56 HydrophobicContact CB-CE2 3.91Å; P53-F56 HydrophobicContact CB-CZ 3.63Å; P53-F56 HydrophobicContact CG-CE1 3.66Å; P53-F56 HydrophobicContact CG-CE2 4.21Å; P53-F56 HydrophobicContact CG-CZ 3.42Å; P53-F56 VanDerWaalsContact CG-CZ 3.42Å
54P91.5Very high93.6Very high103 Ų10352 Ų5267%0.66925%0.251SS*.THydrogen-bonded Turncis-91.5-2.37.635.3-36.2000115.1
55Y92Very high93.6Very high121 Ų12150.6 Ų50.648%0.47525%0.247SC..THydrogen-bonded Turntrans-91-32.5-165.8-58.7-78.3000114.9Y50 L52 R57Y50-Y55 HydrophobicContact CD1-CD1 4.3Å; Y50-Y55 AromaticContact CD1-CD2 3.51Å; Y50-Y55 HydrophobicContact CD1-CD2 3.51Å; Y50-Y55 AromaticContact CD1-CE2 3.8Å; Y50-Y55 HydrophobicContact CD1-CE2 3.8Å; Y50-Y55 AromaticContact CD1-CG 3.76Å; Y50-Y55 HydrophobicContact CD1-CG 3.76Å; Y50-Y55 HydrophobicContact CE1-CD2 4.08Å; Y50-Y55 HydrophobicContact CE1-CE1 4.43Å; Y50-Y55 AromaticContact CE1-CE2 3.89Å; Y50-Y55 HydrophobicContact CE1-CE2 3.89Å; Y50-Y55 HydrophobicContact CE1-CG 4.4Å; L52-Y55 PolarHBondContact O-N 3.46Å; Y55-R57 VanDerWaalsContact C-N 3.34Å; Y55-R57 PolarHBondContact O-N 3.33Å
56F93.5Very high93.6Very high102 Ų10254.6 Ų54.645%0.44727%0.265SS..  trans48.447.1175.9-63.2-71.4000114.9Y50 L52 P53 F58Y50-F56 PolarHBondContact O-N 3.27Å; L52-F56 PolarHBondContact O-N 3.46Å; P53-F56 HydrophobicContact CB-CE1 4.21Å; P53-F56 HydrophobicContact CB-CE2 3.91Å; P53-F56 HydrophobicContact CB-CZ 3.63Å; P53-F56 HydrophobicContact CG-CE1 3.66Å; P53-F56 HydrophobicContact CG-CE2 4.21Å; P53-F56 HydrophobicContact CG-CZ 3.42Å; P53-F56 VanDerWaalsContact CG-CZ 3.42Å; F56-F58 HydrophobicContact CB-CD2 4.15Å; F56-F58 HydrophobicContact CB-CE2 3.8Å; F56-F58 AromaticContact CD1-CE2 3.53Å; F56-F58 HydrophobicContact CD1-CE2 3.53Å; F56-F58 AromaticContact CD1-CZ 3.7Å; F56-F58 HydrophobicContact CD1-CZ 3.7Å; F56-F58 HydrophobicContact CE1-CE2 4.5Å; F56-F58 HydrophobicContact CE1-CZ 4.46Å; F56-F58 HydrophobicContact CG-CE2 4.11Å; F56-F58 PolarHBondContact O-N 3.08Å
57R94.4Very high93.5Very high30 Ų3054.6 Ų54.611%0.11327%0.265CS..  trans-78.150.1-176.9-56.7-162.2176.8178.8-4.1113.7S42 Y50 Y55 W59 T60S42-R57 VanDerWaalsContact CB-NH1 3.29Å; S42-R57 PolarHBondContact O-NH1 3.4Å; S42-R57 PolarHBondContact OG-NH1 3.45Å; Y50-R57 PolarHBondContact O-N 2.91Å; Y55-R57 VanDerWaalsContact C-N 3.34Å; Y55-R57 PolarHBondContact O-N 3.33Å; R57-W59 HydrophobicContact CB-CD2 4.42Å; R57-W59 HydrophobicContact CB-CE3 4.36Å; R57-W59 HydrophobicContact CB-CH2 3.79Å; R57-W59 HydrophobicContact CB-CZ2 3.8Å; R57-W59 HydrophobicContact CB-CZ3 4.07Å; R57-W59 HydrophobicContact CG-CH2 3.47Å; R57-W59 VanDerWaalsContact CG-CH2 3.47Å; R57-W59 HydrophobicContact CG-CZ2 3.67Å; R57-W59 HydrophobicContact CG-CZ3 4.11Å; R57-W59 PolarHBondContact O-N 3.44Å; R57-W59 VanDerWaalsContact O-N 3.1Å; R57-T60 HydrophobicContact CB-CG2 3.95Å; R57-T60 WeakPolarHBondContact O-CB 3.42Å; R57-T60 WeakPolarHBondContact O-CG2 3.34Å; R57-T60 PolarHBondContact O-N 2.91Å; R57-T60 PolarHBondContact O-OG1 3.02Å
58F94Very high93.5Very high110 Ų11054 Ų5448%0.48226%0.262SS..THydrogen-bonded Turntrans-60.7-24.6-175-63.5-65.3000114.5L51 F56 T60 L61L51-F58 HydrophobicContact CD1-CD1 3.61Å; L51-F58 HydrophobicContact CD1-CE1 4.04Å; L51-F58 HydrophobicContact CG-CD1 4.4Å; L51-F58 HydrophobicContact CG-CE1 4.35Å; F56-F58 HydrophobicContact CB-CD2 4.15Å; F56-F58 HydrophobicContact CB-CE2 3.8Å; F56-F58 AromaticContact CD1-CE2 3.53Å; F56-F58 HydrophobicContact CD1-CE2 3.53Å; F56-F58 AromaticContact CD1-CZ 3.7Å; F56-F58 HydrophobicContact CD1-CZ 3.7Å; F56-F58 HydrophobicContact CE1-CE2 4.5Å; F56-F58 HydrophobicContact CE1-CZ 4.46Å; F56-F58 HydrophobicContact CG-CE2 4.11Å; F56-F58 PolarHBondContact O-N 3.08Å; F58-T60 PolarHBondContact O-N 2.93Å; F58-L61 WeakPolarHBondContact O-CB 3.3Å; F58-L61 WeakPolarHBondContact O-CG 3.42Å; F58-L61 PolarHBondContact O-N 2.87Å; F58-L61 VanDerWaalsContact O-N 3.15Å
59W95Very high93.6Very high121 Ų12157.7 Ų57.746%0.45828%0.277SS..THydrogen-bonded Turntrans-61.1-24.4176.26883.8000112.5Y43 R57 L61 F62 T63Y43-W59 PolarHBondContact O-NE1 3.45Å; R57-W59 HydrophobicContact CB-CD2 4.42Å; R57-W59 HydrophobicContact CB-CE3 4.36Å; R57-W59 HydrophobicContact CB-CH2 3.79Å; R57-W59 HydrophobicContact CB-CZ2 3.8Å; R57-W59 HydrophobicContact CB-CZ3 4.07Å; R57-W59 HydrophobicContact CG-CH2 3.47Å; R57-W59 VanDerWaalsContact CG-CH2 3.47Å; R57-W59 HydrophobicContact CG-CZ2 3.67Å; R57-W59 HydrophobicContact CG-CZ3 4.11Å; R57-W59 PolarHBondContact O-N 3.44Å; R57-W59 VanDerWaalsContact O-N 3.1Å; W59-L61 PolarHBondContact O-N 3.19Å; W59-L61 VanDerWaalsContact O-N 3.12Å; W59-F62 PolarHBondContact O-N 2.82Å; W59-T63 PolarHBondContact O-N 2.06Å; W59-T63 VanDerWaalsContact O-N 3.1Å; W59-T63 PolarHBondContact O-OG1 3.31Å
60T95.6Very high93.6Very high3 Ų359 Ų592%0.01829%0.285CS..Hα-helixtrans-60.3-25.4178.363.20000112.1C45 I46 R57 F58 F62 T63 S64C45-T60 WeakPolarHBondContact O-CG2 3.26Å; I46-T60 VanDerWaalsContact CG1-O 3.3Å; I46-T60 WeakPolarHBondContact CG1-O 3.2Å; R57-T60 HydrophobicContact CB-CG2 3.95Å; R57-T60 WeakPolarHBondContact O-CB 3.42Å; R57-T60 WeakPolarHBondContact O-CG2 3.34Å; R57-T60 PolarHBondContact O-N 2.91Å; R57-T60 PolarHBondContact O-OG1 3.02Å; F58-T60 PolarHBondContact O-N 2.93Å; T60-F62 PolarHBondContact O-N 3.16Å; T60-T63 WeakPolarHBondContact CA-OG1 3.4Å; T60-S64 WeakPolarHBondContact O-CB 3.21Å; T60-S64 PolarHBondContact O-N 3.46Å; T60-S64 PolarHBondContact O-OG 2.8Å
61L93.5Very high93.6Very high19 Ų1960.9 Ų60.910%0.09930%0.298CS..Hα-helixtrans-60.3-30.1175.6-63.3173.6000112.6I46 L51 F58 W59 F106 L110I46-L61 HydrophobicContact CD1-CD2 3.88Å; I46-L61 HydrophobicContact CG1-CD2 4.13Å; I46-L61 HydrophobicContact CG2-CD2 4.47Å; L51-L61 HydrophobicContact CD1-CD1 4.48Å; L51-L61 HydrophobicContact CD1-CD2 4.45Å; L51-L61 HydrophobicContact CD1-CG 4.35Å; F58-L61 WeakPolarHBondContact O-CB 3.3Å; F58-L61 WeakPolarHBondContact O-CG 3.42Å; F58-L61 PolarHBondContact O-N 2.87Å; F58-L61 VanDerWaalsContact O-N 3.15Å; W59-L61 PolarHBondContact O-N 3.19Å; W59-L61 VanDerWaalsContact O-N 3.12Å; L61-F106 HydrophobicContact CB-CD2 4.22Å; L61-F106 HydrophobicContact CB-CE2 3.77Å; L61-F106 HydrophobicContact CD1-CE2 4.07Å; L61-F106 HydrophobicContact CD1-CZ 4.32Å; L61-F106 HydrophobicContact CG-CE2 4.43Å; L61-L110 HydrophobicContact CD2-CD1 4.01Å
62F92.3Very high93.7Very high133 Ų13363.2 Ų63.258%0.58331%0.313SS*.Hα-helixtrans-94.6-46178.3-60.6-78.2000111.5W59 T60 S64 S65 F106W59-F62 PolarHBondContact O-N 2.82Å; T60-F62 PolarHBondContact O-N 3.16Å; F62-S64 VanDerWaalsContact C-N 3.29Å; F62-S64 PolarHBondContact O-N 3.45Å; F62-S65 PolarHBondContact O-N 3.3Å; F62-F106 HydrophobicContact CE1-CD2 4.44Å; F62-F106 HydrophobicContact CE1-CE2 4.37Å; F62-F106 HydrophobicContact CZ-CE2 4.27Å
63T95Very high94Very high38 Ų3860.5 Ų60.523%0.23330%0.298CS..Hα-helixtrans-69.3-27.2-175.358.80000113F44 W59 T60 S65 F66F44-T63 CarbonylContact O-C 3.5Å; F44-T63 PolarHBondContact O-OG1 2.99Å; W59-T63 PolarHBondContact O-N 2.06Å; W59-T63 VanDerWaalsContact O-N 3.1Å; W59-T63 PolarHBondContact O-OG1 3.31Å; T60-T63 WeakPolarHBondContact CA-OG1 3.4Å; T63-S65 PolarHBondContact O-N 3.01Å; T63-F66 PolarHBondContact O-N 2.83Å
64S96Very high94.4Very high0 Ų056.9 Ų56.90%027%0.274CS..G310 helixtrans-60.7-28.9-179.563.90000113F44 I46 T60 F62 F66 Y67 V134 C135 G136F44-S64 WeakPolarHBondContact O-CA 3.46Å; F44-S64 PolarHBondContact O-N 2.6Å; F44-S64 VanDerWaalsContact O-N 3.08Å; I46-S64 WeakPolarHBondContact CD1-OG 3.48Å; T60-S64 WeakPolarHBondContact O-CB 3.21Å; T60-S64 PolarHBondContact O-N 3.46Å; T60-S64 PolarHBondContact O-OG 2.8Å; F62-S64 VanDerWaalsContact C-N 3.29Å; F62-S64 PolarHBondContact O-N 3.45Å; S64-F66 PolarHBondContact O-N 3.27Å; S64-Y67 PolarHBondContact O-N 3.45Å; S64-V134 WeakPolarHBondContact CB-O 3.33Å; S64-C135 WeakPolarHBondContact O-CA 3.5Å; S64-C135 WeakPolarHBondContact O-CB 3.36Å; S64-G136 PolarHBondContact O-N 3.45Å
65S95.5Very high94.7Very high18 Ų1857.2 Ų57.213%0.12627%0.27CS..G310 helixtrans-66.2-23.7178.4-57.20000113Q28 F62 T63 N105 L137Q28-S65 PolarHBondContact NE2-O 3.37Å; F62-S65 PolarHBondContact O-N 3.3Å; T63-S65 PolarHBondContact O-N 3.01Å; S65-N105 WeakPolarHBondContact CA-ND2 3.01Å; S65-N105 VanDerWaalsContact CB-ND2 3.29Å; S65-N105 WeakPolarHBondContact CB-ND2 3.28Å; S65-N105 PolarHBondContact OG-ND2 3.27Å; S65-L137 WeakPolarHBondContact O-CD2 3.36Å; S65-L137 WeakPolarHBondContact O-CG 3.49Å
66F95Very high94.9Very high83 Ų8353.3 Ų53.336%0.36426%0.257SS..G310 helixtrans-104.4-1.3-175.1-62.5-77.5000113.6I27 Q28 C31 T63 S64I27-F66 HydrophobicContact CG2-CB 4.06Å; I27-F66 HydrophobicContact CG2-CD1 3.84Å; I27-F66 HydrophobicContact CG2-CG 4.2Å; Q28-F66 PolarHBondContact OE1-O 3.13Å; C31-F66 WeakPolarHBondContact CB-O 3.14Å; T63-F66 PolarHBondContact O-N 2.83Å; S64-F66 PolarHBondContact O-N 3.27Å
67Y96Very high95Very high0 Ų048.5 Ų48.50%024%0.236CC..  trans-122.7133.5-168.7-178.4-86.6000111.6C31 S35 M40 N41 F44 C45 S64 F69 C135 G136C31-Y67 HydrophobicContact CB-CD2 4.18Å; C31-Y67 WeakPolarHBondContact O-CE2 3.44Å; S35-Y67 WeakPolarHBondContact CA-OH 3.3Å; S35-Y67 VanDerWaalsContact CB-CZ 3.46Å; S35-Y67 WeakPolarHBondContact CB-OH 3.29Å; M40-Y67 HydrophobicContact CB-CE2 4.47Å; N41-Y67 PolarHBondContact N-OH 3.31Å; N41-Y67 WeakPolarHBondContact OD1-CE1 3.47Å; N41-Y67 PolarHBondContact OD1-OH 3.15Å; F44-Y67 HydrophobicContact CB-CD1 3.87Å; F44-Y67 HydrophobicContact CB-CD2 3.48Å; F44-Y67 VanDerWaalsContact CB-CD2 3.48Å; F44-Y67 HydrophobicContact CB-CE1 4.26Å; F44-Y67 HydrophobicContact CB-CE2 3.9Å; F44-Y67 HydrophobicContact CB-CG 3.44Å; F44-Y67 VanDerWaalsContact CB-CG 3.44Å; F44-Y67 HydrophobicContact CD1-CD2 4.09Å; F44-Y67 HydrophobicContact CD2-CD2 4.08Å; F44-Y67 HydrophobicContact CD2-CE2 4.01Å; F44-Y67 AromaticContact CG-CD2 3.62Å; F44-Y67 HydrophobicContact CG-CD2 3.62Å; F44-Y67 HydrophobicContact CG-CE2 4Å; F44-Y67 HydrophobicContact CG-CG 4.08Å; C45-Y67 WeakPolarHBondContact SG-CD1 3.36Å; C45-Y67 WeakPolarHBondContact SG-CE1 3.26Å; S64-Y67 PolarHBondContact O-N 3.45Å; Y67-F69 HydrophobicContact CE1-CB 4.3Å; Y67-F69 HydrophobicContact CE1-CD1 4.43Å; Y67-C135 HydrophobicContact CD1-CB 4.41Å; Y67-C135 WeakPolarHBondContact O-CB 3.4Å; Y67-G136 PolarHBondContact O-N 3.37Å; Y67-G136 VanDerWaalsContact O-N 3.16Å
68N95Very high95.1Very high0 Ų049.1 Ų49.10%024%0.241CC..  trans-138.6146.7167.9-74.7-87.4000109.7Y32 L73 D77 G136Y32-N68 WeakPolarHBondContact CD2-O 3.47Å; N68-L73 HydrophobicContact CB-CB 4.44Å; N68-L73 WeakPolarHBondContact OD1-CB 3.4Å; N68-D77 VanDerWaalsContact ND2-CG 3.35Å; N68-D77 PolarHBondContact ND2-OD2 2.89Å; N68-G136 WeakPolarHBondContact ND2-CA 3.27Å; N68-G136 WeakPolarHBondContact OD1-CA 3.35Å
69F94Very high95.2Very high82 Ų8247.8 Ų47.836%0.3624%0.239SC..SBendtrans-105-10.3176.257.9-94.1000113.1Y67 P133Y67-F69 HydrophobicContact CE1-CB 4.3Å; Y67-F69 HydrophobicContact CE1-CD1 4.43Å; F69-P133 HydrophobicContact CE1-CB 4.49Å; F69-P133 HydrophobicContact CE1-CG 3.95Å; F69-P133 HydrophobicContact CZ-CG 4.21Å
70S93.4Very high95.3Very high36 Ų3642 Ų4225%0.25222%0.217SC..  trans-108.7131.3178.71740000110.2T72 L73 L74S70-T72 VanDerWaalsContact C-N 3.26Å; S70-T72 PolarHBondContact O-N 3.33Å; S70-T72 PolarHBondContact OG-N 3.15Å; S70-L73 PolarHBondContact O-N 2.88Å; S70-L73 VanDerWaalsContact O-N 3.17Å; S70-L74 PolarHBondContact O-N 3.29Å
71L94.9Very high95.2Very high93 Ų9342.6 Ų42.649%0.48722%0.22SC..Hα-helixtrans-58.4-40.2176.3-174.961.7000111.6Y32 L73 L74 L75Y32-L71 HydrophobicContact CE1-CD1 4.22Å; Y32-L71 HydrophobicContact CE2-CB 4.42Å; L71-L73 VanDerWaalsContact C-N 3.34Å; L71-L73 PolarHBondContact O-N 3Å; L71-L74 HydrophobicContact CD1-CD2 4.25Å; L71-L74 WeakPolarHBondContact O-CB 3.49Å; L71-L74 PolarHBondContact O-N 3.01Å; L71-L75 WeakPolarHBondContact O-CG 3.45Å; L71-L75 PolarHBondContact O-N 3.47Å
72T94.6Very high95.2Very high63 Ų6344.8 Ų44.839%0.38723%0.229SC..Hα-helixtrans-61.5-43177.8-53.30000111.4S70 L75 L76 F186S70-T72 VanDerWaalsContact C-N 3.26Å; S70-T72 PolarHBondContact O-N 3.33Å; S70-T72 PolarHBondContact OG-N 3.15Å; T72-L75 PolarHBondContact O-N 3.4Å; T72-L76 HydrophobicContact CG2-CD1 4.32Å; T72-L76 VanDerWaalsContact O-CD1 3.3Å; T72-L76 WeakPolarHBondContact O-CD1 3.2Å; T72-L76 PolarHBondContact O-N 3.39Å; T72-F186 HydrophobicContact CG2-CE1 4.09Å; T72-F186 HydrophobicContact CG2-CZ 4.36Å
73L94.9Very high95.3Very high28 Ų2841.4 Ų41.415%0.14722%0.217CC..Hα-helixtrans-69.7-37.3177.3-64.1179.1000111.9N68 S70 L71 L75 L76 D77 V138N68-L73 HydrophobicContact CB-CB 4.44Å; N68-L73 WeakPolarHBondContact OD1-CB 3.4Å; S70-L73 PolarHBondContact O-N 2.88Å; S70-L73 VanDerWaalsContact O-N 3.17Å; L71-L73 VanDerWaalsContact C-N 3.34Å; L71-L73 PolarHBondContact O-N 3Å; L73-L75 VanDerWaalsContact C-N 3.34Å; L73-L75 PolarHBondContact O-N 3.33Å; L73-L76 WeakPolarHBondContact O-CB 3.07Å; L73-L76 PolarHBondContact O-N 2.98Å; L73-D77 PolarHBondContact O-N 3.48Å; L73-V138 HydrophobicContact CD2-CG2 3.91Å
74L96.7Very high95.1Very high11 Ų1139.8 Ų39.86%0.05821%0.206CC..Hα-helixtrans-58.4-46.5171.6176.468.5000111.2Q28 Y32 S70 L71 L76 D77 I78Q28-L74 HydrophobicContact CB-CD1 3.87Å; Y32-L74 HydrophobicContact CD1-CD2 3.75Å; Y32-L74 HydrophobicContact CD2-CB 4.3Å; Y32-L74 HydrophobicContact CD2-CD2 4.07Å; Y32-L74 HydrophobicContact CE1-CD2 4.33Å; Y32-L74 HydrophobicContact CG-CD2 3.6Å; S70-L74 PolarHBondContact O-N 3.29Å; L71-L74 HydrophobicContact CD1-CD2 4.25Å; L71-L74 WeakPolarHBondContact O-CB 3.49Å; L71-L74 PolarHBondContact O-N 3.01Å; L74-L76 VanDerWaalsContact C-N 3.29Å; L74-L76 PolarHBondContact O-N 3.26Å; L74-D77 WeakPolarHBondContact O-CB 3.37Å; L74-D77 PolarHBondContact O-N 3.07Å; L74-D77 VanDerWaalsContact O-N 3.09Å; L74-I78 HydrophobicContact CD1-CG1 4.37Å; L74-I78 HydrophobicContact CG-CG1 4.48Å; L74-I78 WeakPolarHBondContact O-CG1 3.41Å; L74-I78 PolarHBondContact O-N 2.91Å
75L96.8Very high94.8Very high110 Ų11039.8 Ų39.858%0.57621%0.207SC*.Hα-helixtrans-61.5-39.6177.6-68.4176.7000111.6L71 T72 L73 D77 L79L71-L75 WeakPolarHBondContact O-CG 3.45Å; L71-L75 PolarHBondContact O-N 3.47Å; T72-L75 PolarHBondContact O-N 3.4Å; L73-L75 VanDerWaalsContact C-N 3.34Å; L73-L75 PolarHBondContact O-N 3.33Å; L75-D77 VanDerWaalsContact C-N 3.33Å; L75-L79 VanDerWaalsContact O-CB 3.31Å; L75-L79 WeakPolarHBondContact O-CB 3.45Å; L75-L79 PolarHBondContact O-N 3.24Å
76L96.2Very high94.4Very high40 Ų4042.2 Ų42.221%0.20922%0.215CC..Hα-helixtrans-62-39.2172.2-100.580.6000112.2T72 L73 L74 L79 T80 L141 F178T72-L76 HydrophobicContact CG2-CD1 4.32Å; T72-L76 VanDerWaalsContact O-CD1 3.3Å; T72-L76 WeakPolarHBondContact O-CD1 3.2Å; T72-L76 PolarHBondContact O-N 3.39Å; L73-L76 WeakPolarHBondContact O-CB 3.07Å; L73-L76 PolarHBondContact O-N 2.98Å; L74-L76 VanDerWaalsContact C-N 3.29Å; L74-L76 PolarHBondContact O-N 3.26Å; L76-L79 WeakPolarHBondContact O-CB 3.33Å; L76-L79 PolarHBondContact O-N 2.95Å; L76-T80 WeakPolarHBondContact O-CB 3.4Å; L76-T80 PolarHBondContact O-N 3.06Å; L76-T80 PolarHBondContact O-OG1 2.9Å; L76-L141 HydrophobicContact CD2-CD2 3.61Å; L76-L141 HydrophobicContact CG-CD2 4.09Å; L76-F178 HydrophobicContact CD2-CE2 4.32Å; L76-F178 HydrophobicContact CD2-CZ 3.67Å
77D96.9Very high94Very high0 Ų039.7 Ų39.70%021%0.205CC..Hα-helixtrans-68.2-43.8179.1-82.720.8000111.8N68 L73 L74 L75 L79 T80 V81 G136 L137N68-D77 VanDerWaalsContact ND2-CG 3.35Å; N68-D77 PolarHBondContact ND2-OD2 2.89Å; L73-D77 PolarHBondContact O-N 3.48Å; L74-D77 WeakPolarHBondContact O-CB 3.37Å; L74-D77 PolarHBondContact O-N 3.07Å; L74-D77 VanDerWaalsContact O-N 3.09Å; L75-D77 VanDerWaalsContact C-N 3.33Å; D77-L79 VanDerWaalsContact C-N 3.32Å; D77-L79 PolarHBondContact O-N 2.92Å; D77-T80 WeakPolarHBondContact O-CB 3.31Å; D77-T80 PolarHBondContact O-N 3.2Å; D77-V81 WeakPolarHBondContact O-CG2 3.44Å; D77-V81 PolarHBondContact O-N 2.62Å; D77-G136 WeakPolarHBondContact OD2-CA 3.36Å; D77-L137 HydrophobicContact CB-CB 4.29Å; D77-L137 HydrophobicContact CB-CD1 4.32Å; D77-L137 VanDerWaalsContact CG-N 3.28Å; D77-L137 WeakPolarHBondContact OD1-CA 3.32Å; D77-L137 WeakPolarHBondContact OD1-CB 3.38Å; D77-L137 PolarHBondContact OD1-N 2.85Å; D77-L137 WeakPolarHBondContact OD2-CB 3.47Å; D77-L137 WeakPolarHBondContact OD2-CG 3.42Å; D77-L137 PolarHBondContact OD2-N 3.48Å
78I97Very high93.2Very high43 Ų4339.9 Ų39.922%0.22121%0.206CC..Hα-helixtrans-60.8-44.4173.2-61.5-59.8000110.3M25 Q28 L74 T80 V81 F82M25-I78 HydrophobicContact CB-CD1 3.69Å; M25-I78 HydrophobicContact CE-CG2 4.21Å; M25-I78 HydrophobicContact CG-CD1 3.77Å; M25-I78 HydrophobicContact CG-CG2 4.4Å; M25-I78 HydrophobicContact SD-CG2 4.37Å; Q28-I78 HydrophobicContact CB-CD1 4.21Å; L74-I78 HydrophobicContact CD1-CG1 4.37Å; L74-I78 HydrophobicContact CG-CG1 4.48Å; L74-I78 WeakPolarHBondContact O-CG1 3.41Å; L74-I78 PolarHBondContact O-N 2.91Å; I78-T80 VanDerWaalsContact C-N 3.33Å; I78-T80 PolarHBondContact O-N 2.71Å; I78-V81 PolarHBondContact O-N 3.05Å; I78-F82 VanDerWaalsContact O-CB 3.3Å; I78-F82 WeakPolarHBondContact O-CB 3Å; I78-F82 PolarHBondContact O-N 2.99Å
79L95.7Very high92.2Very high83 Ų8342.5 Ų42.544%0.43522%0.224SC..Hα-helixtrans-59.6-43.5174.117765.2000111.5L75 L76 D77 F82 L83L75-L79 VanDerWaalsContact O-CB 3.31Å; L75-L79 WeakPolarHBondContact O-CB 3.45Å; L75-L79 PolarHBondContact O-N 3.24Å; L76-L79 WeakPolarHBondContact O-CB 3.33Å; L76-L79 PolarHBondContact O-N 2.95Å; D77-L79 VanDerWaalsContact C-N 3.32Å; D77-L79 PolarHBondContact O-N 2.92Å; L79-F82 PolarHBondContact O-N 2.87Å; L79-L83 HydrophobicContact CD1-CD1 3.93Å; L79-L83 HydrophobicContact CD1-CD2 4.41Å; L79-L83 HydrophobicContact CD1-CG 3.89Å; L79-L83 HydrophobicContact CD2-CD1 4.44Å; L79-L83 HydrophobicContact CG-CD1 3.84Å; L79-L83 HydrophobicContact CG-CG 4.21Å; L79-L83 WeakPolarHBondContact O-CB 3.33Å; L79-L83 VanDerWaalsContact O-CG 3.27Å; L79-L83 WeakPolarHBondContact O-CG 3.5Å; L79-L83 PolarHBondContact O-N 3.43Å
80T96.1Very high91.3Very high0 Ų041.8 Ų41.80%024%0.24CC..Hα-helixtrans-59.8-51.9179.5-60.10000110.7L76 D77 I78 F82 L83 M84 L137 L140 L141 V144L76-T80 WeakPolarHBondContact O-CB 3.4Å; L76-T80 PolarHBondContact O-N 3.06Å; L76-T80 PolarHBondContact O-OG1 2.9Å; D77-T80 WeakPolarHBondContact O-CB 3.31Å; D77-T80 PolarHBondContact O-N 3.2Å; I78-T80 VanDerWaalsContact C-N 3.33Å; I78-T80 PolarHBondContact O-N 2.71Å; T80-F82 VanDerWaalsContact C-N 3.29Å; T80-F82 PolarHBondContact O-N 3.36Å; T80-L83 PolarHBondContact O-N 3.04Å; T80-M84 WeakPolarHBondContact O-CB 3.47Å; T80-M84 PolarHBondContact O-N 3.42Å; T80-L137 HydrophobicContact CG2-CB 4.46Å; T80-L140 HydrophobicContact CG2-CB 4.01Å; T80-L140 HydrophobicContact CG2-CD2 4.16Å; T80-L140 HydrophobicContact CG2-CG 3.92Å; T80-L141 HydrophobicContact CG2-CB 4.12Å; T80-L141 HydrophobicContact CG2-CD1 4.5Å; T80-L141 WeakPolarHBondContact OG1-CB 3.48Å; T80-L141 WeakPolarHBondContact OG1-CD1 3.39Å; T80-V144 HydrophobicContact CG2-CG2 3.99Å
81V94.8Very high90.5Very high15 Ų1544.2 Ų44.29%0.09126%0.255CS..Hα-helixtrans-63.9-37.2-179.7175.30000110.8T21 V24 M25 D77 I78 D85 L137T21-V81 HydrophobicContact CG2-CG1 3.54Å; V24-V81 HydrophobicContact CB-CG1 4.35Å; V24-V81 HydrophobicContact CG1-CG1 4.21Å; V24-V81 HydrophobicContact CG1-CG2 3.99Å; M25-V81 HydrophobicContact CE-CB 4.28Å; M25-V81 HydrophobicContact CE-CG1 4.1Å; M25-V81 HydrophobicContact CG-CB 4.45Å; M25-V81 HydrophobicContact CG-CG1 4.05Å; D77-V81 WeakPolarHBondContact O-CG2 3.44Å; D77-V81 PolarHBondContact O-N 2.62Å; I78-V81 PolarHBondContact O-N 3.05Å; V81-D85 WeakPolarHBondContact O-CB 3.42Å; V81-D85 PolarHBondContact O-N 3.16Å; V81-L137 HydrophobicContact CG2-CD1 3.54Å
82F93.4Very high89.8Confident65 Ų6541.7 Ų41.729%0.28524%0.239SC..Hα-helixtrans-64.5-53.2174.1177.2-100.6000112.7C17 M25 I78 L79 T80 M84 D85 K86C17-F82 VanDerWaalsContact SG-CD2 3.57Å; M25-F82 HydrophobicContact CE-CB 3.64Å; M25-F82 HydrophobicContact CE-CD2 4.47Å; I78-F82 VanDerWaalsContact O-CB 3.3Å; I78-F82 WeakPolarHBondContact O-CB 3Å; I78-F82 PolarHBondContact O-N 2.99Å; L79-F82 PolarHBondContact O-N 2.87Å; T80-F82 VanDerWaalsContact C-N 3.29Å; T80-F82 PolarHBondContact O-N 3.36Å; F82-M84 VanDerWaalsContact C-N 3.27Å; F82-M84 PolarHBondContact O-N 2.82Å; F82-D85 WeakPolarHBondContact O-CB 3.26Å; F82-D85 PolarHBondContact O-N 3Å; F82-K86 HydrophobicContact CD1-CG 4.44Å; F82-K86 HydrophobicContact CE1-CG 4Å; F82-K86 HydrophobicContact CE2-CD 4.39Å; F82-K86 HydrophobicContact CE2-CG 4.11Å; F82-K86 HydrophobicContact CZ-CD 4.25Å; F82-K86 HydrophobicContact CZ-CG 3.82Å; F82-K86 WeakPolarHBondContact O-CG 3.45Å; F82-K86 PolarHBondContact O-N 3.38Å
83L92.8Very high89.3Confident61 Ų6145.8 Ų45.832%0.31925%0.252SS..Hα-helixtrans-59.8-43179.8-72.8176000110.7L79 T80 D85 K86 L87 L141 V144L79-L83 HydrophobicContact CD1-CD1 3.93Å; L79-L83 HydrophobicContact CD1-CD2 4.41Å; L79-L83 HydrophobicContact CD1-CG 3.89Å; L79-L83 HydrophobicContact CD2-CD1 4.44Å; L79-L83 HydrophobicContact CG-CD1 3.84Å; L79-L83 HydrophobicContact CG-CG 4.21Å; L79-L83 WeakPolarHBondContact O-CB 3.33Å; L79-L83 VanDerWaalsContact O-CG 3.27Å; L79-L83 WeakPolarHBondContact O-CG 3.5Å; L79-L83 PolarHBondContact O-N 3.43Å; T80-L83 PolarHBondContact O-N 3.04Å; L83-D85 PolarHBondContact O-N 2.95Å; L83-K86 PolarHBondContact O-N 2.88Å; L83-L87 WeakPolarHBondContact O-CB 3.15Å; L83-L87 VanDerWaalsContact O-CG 3.27Å; L83-L87 WeakPolarHBondContact O-CG 3.3Å; L83-L87 PolarHBondContact O-N 3.25Å; L83-L141 HydrophobicContact CD1-CD1 4.4Å; L83-V144 HydrophobicContact CB-CG1 3.86Å; L83-V144 HydrophobicContact CD1-CG1 4.41Å
84M91.6Very high88.8Confident4 Ų450 Ų502%0.0227%0.266CS..Hα-helixtrans-57-49.5175-170.372.28900111.6T80 F82 K86 L87 L88 L97 F100 L140 V144 L147T80-M84 WeakPolarHBondContact O-CB 3.47Å; T80-M84 PolarHBondContact O-N 3.42Å; F82-M84 VanDerWaalsContact C-N 3.27Å; F82-M84 PolarHBondContact O-N 2.82Å; M84-K86 VanDerWaalsContact C-N 3.3Å; M84-K86 PolarHBondContact O-N 3.32Å; M84-L87 PolarHBondContact O-N 2.86Å; M84-L88 HydrophobicContact CB-CD1 4.49Å; M84-L88 HydrophobicContact CG-CD1 3.64Å; M84-L88 WeakPolarHBondContact O-CD1 3.19Å; M84-L88 PolarHBondContact O-N 2.99Å; M84-L88 HydrophobicContact SD-CD1 3.2Å; M84-L88 WeakPolarHBondContact SD-CD1 3.4Å; M84-L97 HydrophobicContact CE-CD1 4.09Å; M84-L97 HydrophobicContact CG-CD1 3.13Å; M84-L97 HydrophobicContact CG-CD2 3.9Å; M84-L97 HydrophobicContact CG-CG 4.12Å; M84-L97 HydrophobicContact SD-CD1 3.41Å; M84-L97 WeakPolarHBondContact SD-CD1 3.32Å; M84-F100 HydrophobicContact CE-CD1 3.81Å; M84-F100 HydrophobicContact CE-CE1 3.7Å; M84-F100 HydrophobicContact SD-CD1 4.12Å; M84-F100 HydrophobicContact SD-CE1 4.11Å; M84-L140 HydrophobicContact CE-CD1 3.27Å; M84-L140 HydrophobicContact CE-CD2 3.75Å; M84-L140 HydrophobicContact CE-CG 3.41Å; M84-L140 VanDerWaalsContact CE-CG 3.41Å; M84-V144 HydrophobicContact CB-CG2 4.02Å; M84-V144 HydrophobicContact CE-CG2 3.25Å; M84-V144 HydrophobicContact CG-CG2 4.43Å; M84-V144 HydrophobicContact SD-CG2 3.64Å; M84-L147 HydrophobicContact SD-CD2 3.9Å
85D90.4Very high88.4Confident1 Ų153 Ų531%0.00528%0.281CS..Hα-helixtrans-57.1-44.6175.7-164.865.3000111.6C17 R18 T21 V81 F82 L83 S89C17-D85 WeakPolarHBondContact CA-OD2 3.26Å; R18-D85 IonicContact CZ-OD1 3.23Å; R18-D85 VanDerWaalsContact CZ-OD1 3.23Å; R18-D85 PolarHBondContact N-OD2 2.9Å; R18-D85 IonicContact NE-OD1 2.72Å; R18-D85 PolarHBondContact NE-OD1 3.41Å; R18-D85 IonicContact NH2-OD1 2.85Å; R18-D85 PolarHBondContact NH2-OD1 3.26Å; T21-D85 HydrophobicContact CG2-CB 3.67Å; T21-D85 VanDerWaalsContact OG1-CG 3.27Å; T21-D85 PolarHBondContact OG1-OD1 2.95Å; V81-D85 WeakPolarHBondContact O-CB 3.42Å; V81-D85 PolarHBondContact O-N 3.16Å; F82-D85 WeakPolarHBondContact O-CB 3.26Å; F82-D85 PolarHBondContact O-N 3Å; L83-D85 PolarHBondContact O-N 2.95Å; D85-S89 WeakPolarHBondContact O-CB 3.46Å; D85-S89 PolarHBondContact O-N 2.96Å; D85-S89 PolarHBondContact O-OG 3.17Å; D85-S89 PolarHBondContact OD1-OG 2.98Å
86K87Confident88Confident68 Ų6850.6 Ų50.630%0.29627%0.267SS..Hα-helixtrans-70.2-36.4-177.8-64.7-65.1142.6-164.90113.6V14 N16 F82 L83 M84V14-K86 WeakPolarHBondContact O-CD 3.38Å; V14-K86 WeakPolarHBondContact O-CE 3.19Å; V14-K86 PolarHBondContact O-NZ 2.85Å; N16-K86 PolarHBondContact O-NZ 3.44Å; F82-K86 HydrophobicContact CD1-CG 4.44Å; F82-K86 HydrophobicContact CE1-CG 4Å; F82-K86 HydrophobicContact CE2-CD 4.39Å; F82-K86 HydrophobicContact CE2-CG 4.11Å; F82-K86 HydrophobicContact CZ-CD 4.25Å; F82-K86 HydrophobicContact CZ-CG 3.82Å; F82-K86 WeakPolarHBondContact O-CG 3.45Å; F82-K86 PolarHBondContact O-N 3.38Å; L83-K86 PolarHBondContact O-N 2.88Å; M84-K86 VanDerWaalsContact C-N 3.3Å; M84-K86 PolarHBondContact O-N 3.32Å
87L85.2Confident87.6Confident31 Ų3149.5 Ų49.516%0.16226%0.262CS..Hα-helixtrans-73.7-37.7178.7-67.9175.9000112.1L83 M84 V144 M152L83-L87 WeakPolarHBondContact O-CB 3.15Å; L83-L87 VanDerWaalsContact O-CG 3.27Å; L83-L87 WeakPolarHBondContact O-CG 3.3Å; L83-L87 PolarHBondContact O-N 3.25Å; M84-L87 PolarHBondContact O-N 2.86Å; L87-V144 HydrophobicContact CD1-CG1 3.79Å; L87-M152 HydrophobicContact CD2-CE 3.44Å; L87-M152 VanDerWaalsContact CD2-CE 3.44Å; L87-M152 HydrophobicContact CD2-SD 4.24Å
88L79.3Confident87.3Confident4 Ų453.5 Ų53.52%0.02128%0.283CS..Hα-helixtrans-98.7-18.6-175.1-68.6103.9000116.1M84 G90 Y92 L97 L147M84-L88 HydrophobicContact CB-CD1 4.49Å; M84-L88 HydrophobicContact CG-CD1 3.64Å; M84-L88 WeakPolarHBondContact O-CD1 3.19Å; M84-L88 PolarHBondContact O-N 2.99Å; M84-L88 HydrophobicContact SD-CD1 3.2Å; M84-L88 WeakPolarHBondContact SD-CD1 3.4Å; L88-G90 PolarHBondContact O-N 3.02Å; L88-Y92 HydrophobicContact CB-CD2 4.26Å; L88-Y92 HydrophobicContact CD2-CD2 3.56Å; L88-Y92 HydrophobicContact CD2-CE2 4.35Å; L88-Y92 HydrophobicContact CD2-CG 3.84Å; L88-Y92 HydrophobicContact CG-CD2 3.95Å; L88-Y92 PolarHBondContact O-N 3.39Å; L88-L97 HydrophobicContact CD1-CD1 3.73Å; L88-L97 HydrophobicContact CD2-CB 4.13Å; L88-L97 HydrophobicContact CD2-CD1 4.04Å; L88-L97 HydrophobicContact CG-CD1 4.43Å; L88-L147 HydrophobicContact CD1-CD2 3.13Å; L88-L147 HydrophobicContact CD1-CG 4.48Å; L88-L147 HydrophobicContact CD2-CD2 3.87Å; L88-L147 HydrophobicContact CG-CD2 3.6Å
89S74.3Confident87.1Confident54 Ų5458.4 Ų58.438%0.37830%0.298SS..THydrogen-bonded Turntrans-59.2-15.1-175.1-72.60000114.1D85D85-S89 WeakPolarHBondContact O-CB 3.46Å; D85-S89 PolarHBondContact O-N 2.96Å; D85-S89 PolarHBondContact O-OG 3.17Å; D85-S89 PolarHBondContact OD1-OG 2.98Å
90G74.9Confident87.1Confident68 Ų6854.7 Ų54.770%0.70128%0.279SS*.THydrogen-bonded Turntrans-81.3-78.7170.200000112.4L88L88-G90 PolarHBondContact O-N 3.02Å
91P76.8Confident87Confident87 Ų8755.9 Ų55.957%0.56529%0.287SS*.THydrogen-bonded Turntrans-78.9-22.3-164.225.1-30.1000115.6M151P91-M151 HydrophobicContact CG-SD 3.88Å
92Y79.6Confident87Confident39 Ų3959 Ų5915%0.15331%0.306CS..SBendtrans-114.2147-169.5-64.8-78.2000113.6L88 E96 M151 Q210L88-Y92 HydrophobicContact CB-CD2 4.26Å; L88-Y92 HydrophobicContact CD2-CD2 3.56Å; L88-Y92 HydrophobicContact CD2-CE2 4.35Å; L88-Y92 HydrophobicContact CD2-CG 3.84Å; L88-Y92 HydrophobicContact CG-CD2 3.95Å; L88-Y92 PolarHBondContact O-N 3.39Å; Y92-E96 HydrophobicContact CD1-CB 4.48Å; Y92-E96 WeakPolarHBondContact CD1-OE2 3.27Å; Y92-M151 HydrophobicContact CE2-CE 3.7Å; Y92-M151 HydrophobicContact CE2-SD 3.75Å; Y92-M151 VanDerWaalsContact OH-CE 3.25Å; Y92-M151 WeakPolarHBondContact OH-CE 3.38Å; Y92-Q210 PolarHBondContact OH-NE2 3.38Å
93K84.8Confident87.1Confident149 Ų14958.8 Ų58.865%0.64831%0.307SS*.  trans-70.4151170.5-66.8178.3-178.8174.90109.9L95 E96 L97K93-L95 PolarHBondContact O-N 3.32Å; K93-L95 VanDerWaalsContact O-N 3.15Å; K93-E96 HydrophobicContact CB-CG 4.5Å; K93-E96 PolarHBondContact N-OE2 2.61Å; K93-E96 VanDerWaalsContact N-OE2 3.08Å; K93-E96 WeakPolarHBondContact O-CB 3.4Å; K93-E96 PolarHBondContact O-N 3.2Å; K93-L97 PolarHBondContact O-N 3.27Å
94W84.5Confident87.3Confident117 Ų11755.9 Ų55.944%0.44329%0.292SS..Hα-helixtrans-58.3-32.4179.183.8-93.5000113L97 L98W94-L97 WeakPolarHBondContact O-CB 3.27Å; W94-L97 PolarHBondContact O-N 2.91Å; W94-L98 HydrophobicContact CE3-CB 4.35Å; W94-L98 HydrophobicContact CH2-CD2 4.34Å; W94-L98 HydrophobicContact CZ3-CB 4.21Å; W94-L98 HydrophobicContact CZ3-CD2 3.82Å; W94-L98 PolarHBondContact O-N 3.46Å
95L89Confident87.5Confident73 Ų7355.8 Ų55.838%0.38229%0.292SS..Hα-helixtrans-66.9-35.6176.4-74.2172.3000112.8K93 L97 L98 R99K93-L95 PolarHBondContact O-N 3.32Å; K93-L95 VanDerWaalsContact O-N 3.15Å; L95-L97 VanDerWaalsContact C-N 3.32Å; L95-L98 PolarHBondContact O-N 3.38Å; L95-R99 VanDerWaalsContact O-CG 3.27Å; L95-R99 WeakPolarHBondContact O-CG 3.41Å; L95-R99 PolarHBondContact O-N 2.91Å
96E87.4Confident87.8Confident60 Ų6058.8 Ų58.828%0.2831%0.305SS..Hα-helixtrans-69-38.6176-71.3157.3-168.300110.3Y92 K93 R99 F100Y92-E96 HydrophobicContact CD1-CB 4.48Å; Y92-E96 WeakPolarHBondContact CD1-OE2 3.27Å; K93-E96 HydrophobicContact CB-CG 4.5Å; K93-E96 PolarHBondContact N-OE2 2.61Å; K93-E96 VanDerWaalsContact N-OE2 3.08Å; K93-E96 WeakPolarHBondContact O-CB 3.4Å; K93-E96 PolarHBondContact O-N 3.2Å; E96-R99 PolarHBondContact O-N 2.87Å; E96-F100 WeakPolarHBondContact O-CB 3.48Å; E96-F100 PolarHBondContact O-N 3.17Å
97L87.6Confident88.3Confident17 Ų1757.6 Ų57.69%0.08931%0.305CS..Hα-helixtrans-60-50170.6171.255.3000111.4M84 L88 K93 W94 L95 R99 F100 S101M84-L97 HydrophobicContact CE-CD1 4.09Å; M84-L97 HydrophobicContact CG-CD1 3.13Å; M84-L97 HydrophobicContact CG-CD2 3.9Å; M84-L97 HydrophobicContact CG-CG 4.12Å; M84-L97 HydrophobicContact SD-CD1 3.41Å; M84-L97 WeakPolarHBondContact SD-CD1 3.32Å; L88-L97 HydrophobicContact CD1-CD1 3.73Å; L88-L97 HydrophobicContact CD2-CB 4.13Å; L88-L97 HydrophobicContact CD2-CD1 4.04Å; L88-L97 HydrophobicContact CG-CD1 4.43Å; K93-L97 PolarHBondContact O-N 3.27Å; W94-L97 WeakPolarHBondContact O-CB 3.27Å; W94-L97 PolarHBondContact O-N 2.91Å; L95-L97 VanDerWaalsContact C-N 3.32Å; L97-R99 VanDerWaalsContact C-N 3.28Å; L97-R99 PolarHBondContact O-N 3.44Å; L97-F100 WeakPolarHBondContact O-CB 3.39Å; L97-F100 PolarHBondContact O-N 3.15Å; L97-F100 VanDerWaalsContact O-N 3.17Å; L97-S101 PolarHBondContact O-N 2.92Å; L97-S101 PolarHBondContact O-OG 3.21Å
98L91.7Very high88.8Confident84 Ų8456.1 Ų56.144%0.4430%0.297SS..Hα-helixtrans-58.1-43.3179.5-175.969.9000111.2W94 L95 S101 V102W94-L98 HydrophobicContact CE3-CB 4.35Å; W94-L98 HydrophobicContact CH2-CD2 4.34Å; W94-L98 HydrophobicContact CZ3-CB 4.21Å; W94-L98 HydrophobicContact CZ3-CD2 3.82Å; W94-L98 PolarHBondContact O-N 3.46Å; L95-L98 PolarHBondContact O-N 3.38Å; L98-S101 PolarHBondContact O-N 2.93Å; L98-V102 HydrophobicContact CD1-CG2 4.21Å; L98-V102 HydrophobicContact CG-CG2 4.28Å; L98-V102 WeakPolarHBondContact O-CB 3.44Å; L98-V102 VanDerWaalsContact O-CG2 3.3Å; L98-V102 WeakPolarHBondContact O-CG2 3.43Å; L98-V102 PolarHBondContact O-N 3.45Å
99R93Very high89.7Confident146 Ų14656 Ų5655%0.55130%0.297SS*.Hα-helixtrans-59.8-46.8176.1-74174-171.3125.70112.1L95 E96 L97 L103L95-R99 VanDerWaalsContact O-CG 3.27Å; L95-R99 WeakPolarHBondContact O-CG 3.41Å; L95-R99 PolarHBondContact O-N 2.91Å; E96-R99 PolarHBondContact O-N 2.87Å; L97-R99 VanDerWaalsContact C-N 3.28Å; L97-R99 PolarHBondContact O-N 3.44Å; R99-L103 WeakPolarHBondContact O-CB 3.46Å; R99-L103 PolarHBondContact O-N 3.35Å
100F94Very high90.7Very high5 Ų555.8 Ų55.82%0.02229%0.291CS..Hα-helixtrans-59-49.1175.8176.3-110.2000111.2M84 E96 L97 L103 V104 L140 L147 A202 Y205 L206M84-F100 HydrophobicContact CE-CD1 3.81Å; M84-F100 HydrophobicContact CE-CE1 3.7Å; M84-F100 HydrophobicContact SD-CD1 4.12Å; M84-F100 HydrophobicContact SD-CE1 4.11Å; E96-F100 WeakPolarHBondContact O-CB 3.48Å; E96-F100 PolarHBondContact O-N 3.17Å; L97-F100 WeakPolarHBondContact O-CB 3.39Å; L97-F100 PolarHBondContact O-N 3.15Å; L97-F100 VanDerWaalsContact O-N 3.17Å; F100-L103 PolarHBondContact O-N 3.08Å; F100-V104 HydrophobicContact CD2-CG2 3.78Å; F100-V104 HydrophobicContact CE1-CG2 4.41Å; F100-V104 HydrophobicContact CE2-CG2 3.51Å; F100-V104 HydrophobicContact CG-CG2 4.38Å; F100-V104 HydrophobicContact CZ-CG2 3.86Å; F100-V104 WeakPolarHBondContact O-CB 3.41Å; F100-V104 WeakPolarHBondContact O-CG2 3.37Å; F100-V104 PolarHBondContact O-N 3.3Å; F100-L140 HydrophobicContact CD1-CD1 4.35Å; F100-L140 HydrophobicContact CE1-CD1 4.21Å; F100-L147 HydrophobicContact CE1-CD2 4.25Å; F100-L147 HydrophobicContact CZ-CB 4.44Å; F100-A202 HydrophobicContact CE2-CB 3.92Å; F100-A202 HydrophobicContact CZ-CB 3.85Å; F100-Y205 HydrophobicContact CB-CE1 4.27Å; F100-Y205 AromaticContact CD2-CD1 3.47Å; F100-Y205 HydrophobicContact CD2-CD1 3.47Å; F100-Y205 VanDerWaalsContact CD2-CD1 3.47Å; F100-Y205 AromaticContact CD2-CE1 3.59Å; F100-Y205 HydrophobicContact CD2-CE1 3.59Å; F100-Y205 HydrophobicContact CD2-CG 4.48Å; F100-Y205 AromaticContact CE2-CD1 3.95Å; F100-Y205 HydrophobicContact CE2-CD1 3.95Å; F100-Y205 HydrophobicContact CE2-CE1 4.45Å; F100-Y205 HydrophobicContact CG-CE1 4.42Å; F100-L206 HydrophobicContact CD2-CD2 4.26Å; F100-L206 HydrophobicContact CE2-CD1 4.1Å; F100-L206 HydrophobicContact CE2-CD2 4.02Å; F100-L206 HydrophobicContact CE2-CG 3.97Å; F100-L206 HydrophobicContact CZ-CD1 4.39Å
101S94.5Very high91.7Very high25 Ų2555.2 Ų55.218%0.17528%0.276CS..Hα-helixtrans-61.1-48.4-179.3-65.60000113L97 L98 N105L97-S101 PolarHBondContact O-N 2.92Å; L97-S101 PolarHBondContact O-OG 3.21Å; L98-S101 PolarHBondContact O-N 2.93Å; S101-N105 VanDerWaalsContact O-CB 3.27Å; S101-N105 WeakPolarHBondContact O-CB 3.42Å; S101-N105 PolarHBondContact O-N 3.34Å
102V95.4Very high92.6Very high81 Ų8151.4 Ų51.449%0.49125%0.252SS..Hα-helixtrans-62.2-47.9178.11710000110L98 F106L98-V102 HydrophobicContact CD1-CG2 4.21Å; L98-V102 HydrophobicContact CG-CG2 4.28Å; L98-V102 WeakPolarHBondContact O-CB 3.44Å; L98-V102 VanDerWaalsContact O-CG2 3.3Å; L98-V102 WeakPolarHBondContact O-CG2 3.43Å; L98-V102 PolarHBondContact O-N 3.45Å; V102-F106 WeakPolarHBondContact O-CB 3.4Å; V102-F106 PolarHBondContact O-N 3.01Å
103L95.6Very high93.4Very high60 Ų6049.6 Ų49.631%0.31425%0.245SC..Hα-helixtrans-63.3-49.1-177.1-177.4146.3000112.1R99 F100 S107 I201 Y205R99-L103 WeakPolarHBondContact O-CB 3.46Å; R99-L103 PolarHBondContact O-N 3.35Å; F100-L103 PolarHBondContact O-N 3.08Å; L103-S107 WeakPolarHBondContact O-CB 3.35Å; L103-S107 PolarHBondContact O-N 3.27Å; L103-S107 PolarHBondContact O-OG 3.46Å; L103-I201 HydrophobicContact CD2-CG2 4.12Å; L103-Y205 HydrophobicContact CD1-CD2 3.52Å; L103-Y205 HydrophobicContact CD1-CE2 3.74Å; L103-Y205 HydrophobicContact CD1-CG 4.5Å; L103-Y205 HydrophobicContact CD2-CD2 3.64Å; L103-Y205 HydrophobicContact CD2-CE2 4.45Å; L103-Y205 HydrophobicContact CD2-CG 3.82Å; L103-Y205 HydrophobicContact CG-CD2 4.18Å
104V96.5Very high93.8Very high0 Ų047 Ų470%024%0.237CC..Hα-helixtrans-65.5-48.8-178.4172.90000110.2F100 S108 L140 I201 A202F100-V104 HydrophobicContact CD2-CG2 3.78Å; F100-V104 HydrophobicContact CE1-CG2 4.41Å; F100-V104 HydrophobicContact CE2-CG2 3.51Å; F100-V104 HydrophobicContact CG-CG2 4.38Å; F100-V104 HydrophobicContact CZ-CG2 3.86Å; F100-V104 WeakPolarHBondContact O-CB 3.41Å; F100-V104 WeakPolarHBondContact O-CG2 3.37Å; F100-V104 PolarHBondContact O-N 3.3Å; V104-S108 WeakPolarHBondContact O-CB 3.42Å; V104-S108 PolarHBondContact O-N 3.3Å; V104-S108 PolarHBondContact O-OG 2.92Å; V104-L140 HydrophobicContact CB-CD1 4.23Å; V104-L140 HydrophobicContact CG1-CD1 4.32Å; V104-I201 HydrophobicContact CG2-CG2 4.49Å; V104-A202 HydrophobicContact CG1-CB 4.32Å; V104-A202 HydrophobicContact CG2-CB 3.86Å
105N96.6Very high94.3Very high3 Ų347.5 Ų47.52%0.01624%0.243CC..Hα-helixtrans-68.3-50.3-176.2-150.257.5000111.4S65 S101 S107 S108 S109 G136S65-N105 WeakPolarHBondContact CA-ND2 3.01Å; S65-N105 VanDerWaalsContact CB-ND2 3.29Å; S65-N105 WeakPolarHBondContact CB-ND2 3.28Å; S65-N105 PolarHBondContact OG-ND2 3.27Å; S101-N105 VanDerWaalsContact O-CB 3.27Å; S101-N105 WeakPolarHBondContact O-CB 3.42Å; S101-N105 PolarHBondContact O-N 3.34Å; N105-S107 PolarHBondContact O-N 3.37Å; N105-S108 PolarHBondContact O-N 2.92Å; N105-S109 VanDerWaalsContact O-CB 3.28Å; N105-S109 WeakPolarHBondContact O-CB 3.47Å; N105-S109 PolarHBondContact O-N 2.97Å; N105-S109 PolarHBondContact O-OG 2.88Å; N105-G136 PolarHBondContact ND2-O 3.13Å; N105-G136 PolarHBondContact OD1-O 3.29Å
106F96.5Very high94.5Very high63 Ų6344.3 Ų44.328%0.27623%0.227SC..Hα-helixtrans-57.9-50.2179.9179.3-92.5000111.9L61 F62 V102 S108 L110L61-F106 HydrophobicContact CB-CD2 4.22Å; L61-F106 HydrophobicContact CB-CE2 3.77Å; L61-F106 HydrophobicContact CD1-CE2 4.07Å; L61-F106 HydrophobicContact CD1-CZ 4.32Å; L61-F106 HydrophobicContact CG-CE2 4.43Å; F62-F106 HydrophobicContact CE1-CD2 4.44Å; F62-F106 HydrophobicContact CE1-CE2 4.37Å; F62-F106 HydrophobicContact CZ-CE2 4.27Å; V102-F106 WeakPolarHBondContact O-CB 3.4Å; V102-F106 PolarHBondContact O-N 3.01Å; F106-S108 PolarHBondContact O-N 3.45Å; F106-L110 HydrophobicContact CE1-CD2 4.07Å; F106-L110 HydrophobicContact CZ-CD2 4.41Å; F106-L110 WeakPolarHBondContact O-CB 3.33Å; F106-L110 PolarHBondContact O-N 3.4Å
107S96.2Very high94.8Very high43 Ų4343.1 Ų43.130%0.30122%0.221SC..Hα-helixtrans-67.8-37.6-176.3-50.80000111.7L103 N105 S111L103-S107 WeakPolarHBondContact O-CB 3.35Å; L103-S107 PolarHBondContact O-N 3.27Å; L103-S107 PolarHBondContact O-OG 3.46Å; N105-S107 PolarHBondContact O-N 3.37Å; S107-S111 VanDerWaalsContact O-CB 3.26Å; S107-S111 WeakPolarHBondContact O-CB 3.31Å; S107-S111 PolarHBondContact O-N 2.87Å
108S97.5Very high95.1Very high0 Ų044.9 Ų44.90%023%0.233CC..Hα-helixtrans-71.2-46.1179.1-52.80000111.3V104 N105 F106 L110 S111 V112 A139 G198 I201V104-S108 WeakPolarHBondContact O-CB 3.42Å; V104-S108 PolarHBondContact O-N 3.3Å; V104-S108 PolarHBondContact O-OG 2.92Å; N105-S108 PolarHBondContact O-N 2.92Å; F106-S108 PolarHBondContact O-N 3.45Å; S108-L110 VanDerWaalsContact C-N 3.33Å; S108-L110 PolarHBondContact O-N 3.06Å; S108-S111 PolarHBondContact O-N 3.09Å; S108-V112 WeakPolarHBondContact O-CG2 3.35Å; S108-V112 PolarHBondContact O-N 2.68Å; S108-A139 VanDerWaalsContact CB-CB 3.45Å; S108-G198 WeakPolarHBondContact OG-CA 3.43Å; S108-I201 VanDerWaalsContact CA-CD1 3.45Å; S108-I201 VanDerWaalsContact OG-CD1 3.28Å; S108-I201 WeakPolarHBondContact OG-CD1 3.21Å
109S96.7Very high95.2Very high1 Ų143.7 Ų43.71%0.00723%0.227CC..Hα-helixtrans-62.9-40.4177.4-61.30000111.9N105 A113N105-S109 VanDerWaalsContact O-CB 3.28Å; N105-S109 WeakPolarHBondContact O-CB 3.47Å; N105-S109 PolarHBondContact O-N 2.97Å; N105-S109 PolarHBondContact O-OG 2.88Å; S109-A113 VanDerWaalsContact O-CB 3.26Å; S109-A113 WeakPolarHBondContact O-CB 3.36Å; S109-A113 PolarHBondContact O-N 3.19Å
110L95.7Very high95.2Very high50 Ų5037.3 Ų37.326%0.26220%0.204SC..Hα-helixtrans-64.3-45.9173.7-178.361.8000111.3L61 F106 S108 V112 A113 L114L61-L110 HydrophobicContact CD2-CD1 4.01Å; F106-L110 HydrophobicContact CE1-CD2 4.07Å; F106-L110 HydrophobicContact CZ-CD2 4.41Å; F106-L110 WeakPolarHBondContact O-CB 3.33Å; F106-L110 PolarHBondContact O-N 3.4Å; S108-L110 VanDerWaalsContact C-N 3.33Å; S108-L110 PolarHBondContact O-N 3.06Å; L110-V112 PolarHBondContact O-N 3.03Å; L110-A113 PolarHBondContact O-N 3.23Å; L110-L114 HydrophobicContact CD1-CD1 4.25Å; L110-L114 HydrophobicContact CD1-CG 4.22Å; L110-L114 HydrophobicContact CG-CD1 4.11Å; L110-L114 HydrophobicContact CG-CG 4.46Å; L110-L114 WeakPolarHBondContact O-CB 3.39Å; L110-L114 VanDerWaalsContact O-CG 3.3Å; L110-L114 WeakPolarHBondContact O-CG 3.12Å; L110-L114 PolarHBondContact O-N 3.21Å
111S95.7Very high95.3Very high56 Ų5643 Ų4339%0.39223%0.234SC..Hα-helixtrans-59.7-44.5177.9-173.90000112.1S107 S108 L114 F115S107-S111 VanDerWaalsContact O-CB 3.26Å; S107-S111 WeakPolarHBondContact O-CB 3.31Å; S107-S111 PolarHBondContact O-N 2.87Å; S108-S111 PolarHBondContact O-N 3.09Å; S111-L114 PolarHBondContact O-N 2.91Å; S111-F115 WeakPolarHBondContact O-CB 3.23Å; S111-F115 PolarHBondContact O-N 2.72Å
112V96.6Very high95.4Very high7 Ų747.6 Ų47.64%0.04226%0.256CS..Hα-helixtrans-67.1-43.7177.91730000110.7S108 L110 L114 F115 V116 V134 I190 L194 T197S108-V112 WeakPolarHBondContact O-CG2 3.35Å; S108-V112 PolarHBondContact O-N 2.68Å; L110-V112 PolarHBondContact O-N 3.03Å; V112-L114 VanDerWaalsContact C-N 3.31Å; V112-L114 PolarHBondContact O-N 3.48Å; V112-F115 WeakPolarHBondContact O-CB 3.38Å; V112-F115 PolarHBondContact O-N 2.91Å; V112-F115 VanDerWaalsContact O-N 3.08Å; V112-V116 PolarHBondContact O-N 2.88Å; V112-V134 HydrophobicContact CG1-CG1 4.34Å; V112-V134 HydrophobicContact CG1-CG2 4.07Å; V112-I190 HydrophobicContact CG1-CD1 4.12Å; V112-I190 HydrophobicContact CG1-CG2 4.39Å; V112-L194 HydrophobicContact CB-CD2 4.2Å; V112-L194 HydrophobicContact CG2-CD2 3.93Å; V112-L194 HydrophobicContact CG2-CG 4.22Å; V112-T197 HydrophobicContact CG2-CG2 4.03Å
113A95Very high95.3Very high2 Ų249.8 Ų49.82%0.01726%0.262CS..Hα-helixtrans-60.2-40.8176.300000112.1I46 S109 L110 F115 V116I46-A113 HydrophobicContact CG2-CB 3.64Å; S109-A113 VanDerWaalsContact O-CB 3.26Å; S109-A113 WeakPolarHBondContact O-CB 3.36Å; S109-A113 PolarHBondContact O-N 3.19Å; L110-A113 PolarHBondContact O-N 3.23Å; A113-F115 VanDerWaalsContact C-N 3.29Å; A113-F115 PolarHBondContact O-N 3.24Å; A113-V116 PolarHBondContact O-N 3.17Å
114L94.1Very high95.3Very high93 Ų9357.3 Ų57.349%0.48729%0.288SS..Hα-helixtrans-66.8-30.8175.2-71.7176.7000112.6L110 S111 V112 V116 F117 P118L110-L114 HydrophobicContact CD1-CD1 4.25Å; L110-L114 HydrophobicContact CD1-CG 4.22Å; L110-L114 HydrophobicContact CG-CD1 4.11Å; L110-L114 HydrophobicContact CG-CG 4.46Å; L110-L114 WeakPolarHBondContact O-CB 3.39Å; L110-L114 VanDerWaalsContact O-CG 3.3Å; L110-L114 WeakPolarHBondContact O-CG 3.12Å; L110-L114 PolarHBondContact O-N 3.21Å; S111-L114 PolarHBondContact O-N 2.91Å; V112-L114 VanDerWaalsContact C-N 3.31Å; V112-L114 PolarHBondContact O-N 3.48Å; L114-V116 VanDerWaalsContact C-N 3.3Å; L114-V116 PolarHBondContact O-N 2.82Å; L114-F117 HydrophobicContact CD2-CD2 4.38Å; L114-F117 HydrophobicContact CD2-CE2 4.21Å; L114-F117 WeakPolarHBondContact O-CD2 3.23Å; L114-F117 PolarHBondContact O-N 3.39Å; L114-P118 WeakPolarHBondContact O-CD 3.41Å
115F94.1Very high95.2Very high128 Ų12860.6 Ų60.656%0.56131%0.306SS*.Hα-helixtrans-72.4-20.9177.8-164.6-110.5000113.4S111 V112 A113 F117 P118 I119S111-F115 WeakPolarHBondContact O-CB 3.23Å; S111-F115 PolarHBondContact O-N 2.72Å; V112-F115 WeakPolarHBondContact O-CB 3.38Å; V112-F115 PolarHBondContact O-N 2.91Å; V112-F115 VanDerWaalsContact O-N 3.08Å; A113-F115 VanDerWaalsContact C-N 3.29Å; A113-F115 PolarHBondContact O-N 3.24Å; F115-F117 VanDerWaalsContact C-N 3.29Å; F115-F117 PolarHBondContact O-N 3.36Å; F115-P118 HydrophobicContact CD2-CG 4.42Å; F115-P118 VanDerWaalsContact O-CD 3.26Å; F115-P118 WeakPolarHBondContact O-CD 3.26Å; F115-P118 VanDerWaalsContact O-CG 3.3Å; F115-P118 WeakPolarHBondContact O-CG 3.4Å; F115-I119 HydrophobicContact CD1-CD1 3.64Å; F115-I119 HydrophobicContact CD1-CG1 4.31Å; F115-I119 HydrophobicContact CE1-CD1 3.68Å; F115-I119 HydrophobicContact CE1-CG1 4.17Å; F115-I119 WeakPolarHBondContact O-CG1 3.33Å
116V93.3Very high94.9Very high6 Ų668.6 Ų68.64%0.03634%0.34CS..Hα-helixtrans-66.8-30.1175.6178.60000112V112 A113 L114 I119 S120 V128 L129 I190V112-V116 PolarHBondContact O-N 2.88Å; A113-V116 PolarHBondContact O-N 3.17Å; L114-V116 VanDerWaalsContact C-N 3.3Å; L114-V116 PolarHBondContact O-N 2.82Å; V116-I119 PolarHBondContact O-N 2.85Å; V116-S120 PolarHBondContact O-N 3.38Å; V116-V128 HydrophobicContact CG1-CG1 4.04Å; V116-L129 HydrophobicContact CG1-CD2 4.28Å; V116-I190 HydrophobicContact CG2-CD1 4.3Å
117F93.7Very high94.8Very high36 Ų3667.7 Ų67.716%0.15834%0.342CS..Hα-helixtrans-62-56.3179.2-65.1-77.9000113.8G48 L52 L114 F115 I119 S120 L121 L129G48-F117 VanDerWaalsContact O-CZ 3.29Å; G48-F117 WeakPolarHBondContact O-CZ 3.28Å; L52-F117 HydrophobicContact CD1-CD1 4.08Å; L52-F117 HydrophobicContact CD1-CE1 3.28Å; L52-F117 HydrophobicContact CD1-CZ 3.75Å; L52-F117 HydrophobicContact CG-CE1 3.87Å; L52-F117 HydrophobicContact CG-CZ 3.84Å; L114-F117 HydrophobicContact CD2-CD2 4.38Å; L114-F117 HydrophobicContact CD2-CE2 4.21Å; L114-F117 WeakPolarHBondContact O-CD2 3.23Å; L114-F117 PolarHBondContact O-N 3.39Å; F115-F117 VanDerWaalsContact C-N 3.29Å; F115-F117 PolarHBondContact O-N 3.36Å; F117-I119 PolarHBondContact O-N 2.91Å; F117-S120 WeakPolarHBondContact O-CB 3.32Å; F117-S120 PolarHBondContact O-N 2.84Å; F117-S120 PolarHBondContact O-OG 3.02Å; F117-L121 PolarHBondContact O-N 3.45Å; F117-L121 VanDerWaalsContact O-N 3.09Å; F117-L129 HydrophobicContact CD1-CD2 3.53Å; F117-L129 HydrophobicContact CE1-CD2 3.82Å; F117-L129 HydrophobicContact CG-CD2 4.26Å
118P95.1Very high94.7Very high54 Ų5466.3 Ų66.335%0.35133%0.331SS..Hα-helixtrans-61-33.3177.523.6-33.4000112.1L114 F115 S120 L121 I122L114-P118 WeakPolarHBondContact O-CD 3.41Å; F115-P118 HydrophobicContact CD2-CG 4.42Å; F115-P118 VanDerWaalsContact O-CD 3.26Å; F115-P118 WeakPolarHBondContact O-CD 3.26Å; F115-P118 VanDerWaalsContact O-CG 3.3Å; F115-P118 WeakPolarHBondContact O-CG 3.4Å; P118-S120 VanDerWaalsContact C-N 3.35Å; P118-S120 PolarHBondContact O-N 3.21Å; P118-L121 PolarHBondContact O-N 3.49Å; P118-I122 VanDerWaalsContact O-CG1 3.26Å; P118-I122 WeakPolarHBondContact O-CG1 3.44Å; P118-I122 PolarHBondContact O-N 3.02Å
119I93.9Very high94.4Very high59 Ų5967.6 Ų67.630%0.30334%0.338SS..Hα-helixtrans-60.5-45.5173.2-64.3171.5000110.7F115 V116 F117 L121 I122 M123 V128F115-I119 HydrophobicContact CD1-CD1 3.64Å; F115-I119 HydrophobicContact CD1-CG1 4.31Å; F115-I119 HydrophobicContact CE1-CD1 3.68Å; F115-I119 HydrophobicContact CE1-CG1 4.17Å; F115-I119 WeakPolarHBondContact O-CG1 3.33Å; V116-I119 PolarHBondContact O-N 2.85Å; F117-I119 PolarHBondContact O-N 2.91Å; I119-L121 PolarHBondContact O-N 3.05Å; I119-I122 PolarHBondContact O-N 3.1Å; I119-M123 HydrophobicContact CG2-CG 4.18Å; I119-M123 WeakPolarHBondContact O-CB 3.4Å; I119-M123 WeakPolarHBondContact O-CG 3.41Å; I119-M123 PolarHBondContact O-N 3.47Å; I119-V128 HydrophobicContact CG2-CG1 4.15Å
120S93.6Very high94.3Very high11 Ų1171.6 Ų71.68%0.07736%0.355CS..Hα-helixtrans-61.8-33.3177.475.20000112.8V116 F117 P118 Y124 D125 L129V116-S120 PolarHBondContact O-N 3.38Å; F117-S120 WeakPolarHBondContact O-CB 3.32Å; F117-S120 PolarHBondContact O-N 2.84Å; F117-S120 PolarHBondContact O-OG 3.02Å; P118-S120 VanDerWaalsContact C-N 3.35Å; P118-S120 PolarHBondContact O-N 3.21Å; S120-Y124 PolarHBondContact O-N 3.23Å; S120-Y124 VanDerWaalsContact O-N 3.15Å; S120-D125 PolarHBondContact O-N 3.06Å; S120-L129 WeakPolarHBondContact OG-CD2 3.27Å
121L95Very high94.2Very high125 Ų12574 Ų7465%0.65437%0.368SS*.Hα-helixtrans-71.6-43.3175.6-64.6177.2000111.6F117 P118 I119 Y124F117-L121 PolarHBondContact O-N 3.45Å; F117-L121 VanDerWaalsContact O-N 3.09Å; P118-L121 PolarHBondContact O-N 3.49Å; I119-L121 PolarHBondContact O-N 3.05Å; L121-Y124 PolarHBondContact O-N 2.88Å
122I96.3Very high94.1Very high122 Ų12276.8 Ų76.863%0.62637%0.371SS*.Hα-helixtrans-65.3-41179-68.8163.5000111.1P118 I119 Y124P118-I122 VanDerWaalsContact O-CG1 3.26Å; P118-I122 WeakPolarHBondContact O-CG1 3.44Å; P118-I122 PolarHBondContact O-N 3.02Å; I119-I122 PolarHBondContact O-N 3.1Å; I122-Y124 VanDerWaalsContact C-N 3.25Å; I122-Y124 WeakPolarHBondContact O-CD2 3.37Å; I122-Y124 PolarHBondContact O-N 2.78Å
123M94.5Very high94Very high127 Ų12778 Ų7863%0.62638%0.379SS*.THydrogen-bonded Turntrans-78.5-9.6179-65.7-65.3179.200113.1I119 D125I119-M123 HydrophobicContact CG2-CG 4.18Å; I119-M123 WeakPolarHBondContact O-CB 3.4Å; I119-M123 WeakPolarHBondContact O-CG 3.41Å; I119-M123 PolarHBondContact O-N 3.47Å; M123-D125 HydrophobicContact CB-CB 4.4Å; M123-D125 PolarHBondContact O-N 3.48Å; M123-D125 VanDerWaalsContact O-N 3.1Å
124Y94.2Very high94Very high217 Ų21778 Ų7885%0.85138%0.379SS*.THydrogen-bonded Turntrans51.926.6-171.4-63.4-85.7000114S120 L121 I122S120-Y124 PolarHBondContact O-N 3.23Å; S120-Y124 VanDerWaalsContact O-N 3.15Å; L121-Y124 PolarHBondContact O-N 2.88Å; I122-Y124 VanDerWaalsContact C-N 3.25Å; I122-Y124 WeakPolarHBondContact O-CD2 3.37Å; I122-Y124 PolarHBondContact O-N 2.78Å
125D94.1Very high94.1Very high70 Ų7074 Ų7437%0.37436%0.358SS..  trans-122.7111.1-177.3-176.17000110.6S120 M123 S127 V128S120-D125 PolarHBondContact O-N 3.06Å; M123-D125 HydrophobicContact CB-CB 4.4Å; M123-D125 PolarHBondContact O-N 3.48Å; M123-D125 VanDerWaalsContact O-N 3.1Å; D125-S127 PolarHBondContact O-N 3.5Å; D125-S127 WeakPolarHBondContact OD1-CB 3.38Å; D125-S127 PolarHBondContact OD1-N 3.01Å; D125-S127 PolarHBondContact OD1-OG 3.23Å; D125-S127 PolarHBondContact OD2-OG 3.08Å; D125-V128 HydrophobicContact CB-CG2 4.08Å; D125-V128 WeakPolarHBondContact O-CB 3.08Å; D125-V128 PolarHBondContact O-N 2.93Å
126K91.3Very high94.2Very high170 Ų17067.9 Ų67.974%0.73933%0.331SS*.THydrogen-bonded Turntrans-69.9-20.6177.2-59.1-170.5-17478.80112.2V128 L129K126-V128 PolarHBondContact O-N 3.34Å; K126-L129 WeakPolarHBondContact O-CB 3.37Å; K126-L129 PolarHBondContact O-N 3.19Å
127S93.7Very high94.4Very high45 Ų4568.2 Ų68.232%0.31533%0.333SS..THydrogen-bonded Turntrans-60.3-35.4179.289.30000110.9D125 L129 F130 L131D125-S127 PolarHBondContact O-N 3.5Å; D125-S127 WeakPolarHBondContact OD1-CB 3.38Å; D125-S127 PolarHBondContact OD1-N 3.01Å; D125-S127 PolarHBondContact OD1-OG 3.23Å; D125-S127 PolarHBondContact OD2-OG 3.08Å; S127-L129 PolarHBondContact O-N 2.67Å; S127-F130 WeakPolarHBondContact O-CA 3.35Å; S127-F130 PolarHBondContact O-N 3.26Å; S127-L131 WeakPolarHBondContact O-CD1 3.49Å; S127-L131 PolarHBondContact O-N 3.14Å; S127-L131 VanDerWaalsContact O-N 3.13Å
128V93.7Very high94.6Very high13 Ų1366.5 Ų66.58%0.07933%0.326CS..Hα-helixtrans-50.1-35.8176.6172.10000112.3V116 I119 D125 K126 F130 L131 Y132V116-V128 HydrophobicContact CG1-CG1 4.04Å; I119-V128 HydrophobicContact CG2-CG1 4.15Å; D125-V128 HydrophobicContact CB-CG2 4.08Å; D125-V128 WeakPolarHBondContact O-CB 3.08Å; D125-V128 PolarHBondContact O-N 2.93Å; K126-V128 PolarHBondContact O-N 3.34Å; V128-F130 PolarHBondContact O-N 3.39Å; V128-L131 PolarHBondContact O-N 3.05Å; V128-Y132 HydrophobicContact CB-CE2 4.47Å; V128-Y132 HydrophobicContact CG1-CD2 4Å; V128-Y132 HydrophobicContact CG1-CE2 3.93Å; V128-Y132 WeakPolarHBondContact O-CD2 3.49Å
129L93.2Very high94.7Very high28 Ų2864 Ų6415%0.14731%0.309CS..Hα-helixtrans-63.9-22.8178.4-65175.9000113.3I47 G48 G49 V116 F117 S120 K126 S127I47-L129 WeakPolarHBondContact CG2-O 3.26Å; G48-L129 PolarHBondContact N-O 3.09Å; G49-L129 PolarHBondContact N-O 2.78Å; V116-L129 HydrophobicContact CG1-CD2 4.28Å; F117-L129 HydrophobicContact CD1-CD2 3.53Å; F117-L129 HydrophobicContact CE1-CD2 3.82Å; F117-L129 HydrophobicContact CG-CD2 4.26Å; S120-L129 WeakPolarHBondContact OG-CD2 3.27Å; K126-L129 WeakPolarHBondContact O-CB 3.37Å; K126-L129 PolarHBondContact O-N 3.19Å; S127-L129 PolarHBondContact O-N 2.67Å
130F93.9Very high94.9Very high84 Ų8461.4 Ų61.437%0.36830%0.296SS..Hα-helixtrans-109.9-14-175.8-60-81000113.8I47 Y50 S127 V128I47-F130 HydrophobicContact CG2-CB 4.44Å; I47-F130 HydrophobicContact CG2-CD1 4.22Å; Y50-F130 HydrophobicContact CD1-CD1 4.21Å; Y50-F130 AromaticContact CD1-CE1 3.78Å; Y50-F130 HydrophobicContact CD1-CE1 3.78Å; Y50-F130 AromaticContact CE1-CD1 3.84Å; Y50-F130 HydrophobicContact CE1-CD1 3.84Å; Y50-F130 AromaticContact CE1-CE1 3.61Å; Y50-F130 HydrophobicContact CE1-CE1 3.61Å; Y50-F130 HydrophobicContact CE2-CD1 4.19Å; Y50-F130 HydrophobicContact CG-CE1 4.41Å; Y50-F130 AromaticContact CZ-CD1 3.81Å; S127-F130 WeakPolarHBondContact O-CA 3.35Å; S127-F130 PolarHBondContact O-N 3.26Å; V128-F130 PolarHBondContact O-N 3.39Å
131L93.3Very high95.1Very high101 Ų10161.7 Ų61.753%0.52930%0.296SS..Hα-helixtrans-84.5-25.3-173.7-96.574.1000114.4S127 V128 P133S127-L131 WeakPolarHBondContact O-CD1 3.49Å; S127-L131 PolarHBondContact O-N 3.14Å; S127-L131 VanDerWaalsContact O-N 3.13Å; V128-L131 PolarHBondContact O-N 3.05Å; L131-P133 WeakPolarHBondContact O-CD 3.46Å
132Y93.1Very high95.2Very high114 Ų11455.7 Ų55.745%0.44727%0.265SS..  trans-113.688.3-167.9-63.8-67.8000112.3V128 I190V128-Y132 HydrophobicContact CB-CE2 4.47Å; V128-Y132 HydrophobicContact CG1-CD2 4Å; V128-Y132 HydrophobicContact CG1-CE2 3.93Å; V128-Y132 WeakPolarHBondContact O-CD2 3.49Å; Y132-I190 HydrophobicContact CD1-CG1 4.21Å; Y132-I190 HydrophobicContact CG-CD1 4.47Å; Y132-I190 HydrophobicContact CG-CG1 4.34Å
133P94.8Very high95.3Very high33 Ų3349.9 Ų49.921%0.21424%0.235CC..  trans-71.6132.1176.829.1-34.2000111.5C45 I47 F69 L131C45-P133 HydrophobicContact CB-CB 3.68Å; I47-P133 HydrophobicContact CG1-CB 4.18Å; F69-P133 HydrophobicContact CE1-CB 4.49Å; F69-P133 HydrophobicContact CE1-CG 3.95Å; F69-P133 HydrophobicContact CZ-CG 4.21Å; L131-P133 WeakPolarHBondContact O-CD 3.46Å
134V96.3Very high95.3Very high2 Ų244.1 Ų44.11%0.01221%0.207CC..BIsolated β-bridgetrans-106.4111176.7-174.20000108.7I46 S64 V112 I190 L194I46-V134 HydrophobicContact CB-CB 4.19Å; I46-V134 PolarHBondContact N-O 3.33Å; I46-V134 PolarHBondContact O-N 3.48Å; S64-V134 WeakPolarHBondContact CB-O 3.33Å; V112-V134 HydrophobicContact CG1-CG1 4.34Å; V112-V134 HydrophobicContact CG1-CG2 4.07Å; V134-I190 HydrophobicContact CB-CG2 4.32Å; V134-I190 HydrophobicContact CG1-CG2 4.35Å; V134-I190 HydrophobicContact CG2-CD1 4.4Å; V134-I190 HydrophobicContact CG2-CG2 3.88Å; V134-L194 HydrophobicContact CG1-CD1 3.94Å; V134-L194 HydrophobicContact CG1-CD2 3.78Å; V134-L194 HydrophobicContact CG1-CG 4.17Å
135C95.9Very high95.4Very high8 Ų834.4 Ų34.45%0.05417%0.171CC..  trans-159.6169.8178.840.30000111.7C45 S64 Y67C45-C135 HydrophobicContact CB-CB 3.68Å; C45-C135 WeakPolarHBondContact CB-SG 3.37Å; C45-C135 WeakPolarHBondContact SG-CB 3.49Å; C45-C135 CovalentContact SG-SG 2.06Å; C45-C135 PolarHBondContact SG-SG 3.41Å; S64-C135 WeakPolarHBondContact O-CA 3.5Å; S64-C135 WeakPolarHBondContact O-CB 3.36Å; Y67-C135 HydrophobicContact CD1-CB 4.41Å; Y67-C135 WeakPolarHBondContact O-CB 3.4Å
136G96.1Very high95.4Very high0 Ų031.1 Ų31.10%015%0.153CC..SBendtrans92.8-174-175.700000114.5S64 Y67 N68 D77 N105S64-G136 PolarHBondContact O-N 3.45Å; Y67-G136 PolarHBondContact O-N 3.37Å; Y67-G136 VanDerWaalsContact O-N 3.16Å; N68-G136 WeakPolarHBondContact ND2-CA 3.27Å; N68-G136 WeakPolarHBondContact OD1-CA 3.35Å; D77-G136 WeakPolarHBondContact OD2-CA 3.36Å; N105-G136 PolarHBondContact ND2-O 3.13Å; N105-G136 PolarHBondContact OD1-O 3.29Å
137L97.1Very high95.5Very high13 Ų1323.1 Ų23.17%0.06812%0.118CC..SBendtrans-110.118.5-178-61.1177.4000112.5S65 D77 T80 V81 A139 L140 L141S65-L137 WeakPolarHBondContact O-CD2 3.36Å; S65-L137 WeakPolarHBondContact O-CG 3.49Å; D77-L137 HydrophobicContact CB-CB 4.29Å; D77-L137 HydrophobicContact CB-CD1 4.32Å; D77-L137 VanDerWaalsContact CG-N 3.28Å; D77-L137 WeakPolarHBondContact OD1-CA 3.32Å; D77-L137 WeakPolarHBondContact OD1-CB 3.38Å; D77-L137 PolarHBondContact OD1-N 2.85Å; D77-L137 WeakPolarHBondContact OD2-CB 3.47Å; D77-L137 WeakPolarHBondContact OD2-CG 3.42Å; D77-L137 PolarHBondContact OD2-N 3.48Å; T80-L137 HydrophobicContact CG2-CB 4.46Å; V81-L137 HydrophobicContact CG2-CD1 3.54Å; L137-A139 PolarHBondContact O-N 3.02Å; L137-L140 HydrophobicContact CB-CB 4.16Å; L137-L140 HydrophobicContact CD2-CD2 4.25Å; L137-L140 CarbonylContact O-C 3.5Å; L137-L140 WeakPolarHBondContact O-CA 3.2Å; L137-L140 VanDerWaalsContact O-CB 3.27Å; L137-L140 WeakPolarHBondContact O-CB 3.38Å; L137-L140 PolarHBondContact O-N 2.93Å; L137-L141 PolarHBondContact O-N 3.46Å
138V97.2Very high95.3Very high1 Ų121.2 Ų21.21%0.00611%0.106CC..Hα-helixtrans-58.3-36.7178.6178.40000112.1L73 L140 L141 G142 F178 S191 L194 F195L73-V138 HydrophobicContact CD2-CG2 3.91Å; V138-L140 VanDerWaalsContact C-N 3.31Å; V138-L140 PolarHBondContact O-N 3.45Å; V138-L141 WeakPolarHBondContact O-CB 3.3Å; V138-L141 PolarHBondContact O-N 3.18Å; V138-G142 PolarHBondContact O-N 3.17Å; V138-G142 VanDerWaalsContact O-N 3.14Å; V138-F178 HydrophobicContact CG1-CE1 3.78Å; V138-F178 HydrophobicContact CG1-CZ 4.17Å; V138-S191 WeakPolarHBondContact CG1-O 3.25Å; V138-L194 HydrophobicContact CB-CB 4.38Å; V138-L194 HydrophobicContact CG1-CB 4.36Å; V138-F195 HydrophobicContact CG1-CB 3.94Å; V138-F195 HydrophobicContact CG1-CD2 4.32Å
139A97.9Very high95.1Very high0 Ų020.8 Ų20.80%010%0.103CC..Hα-helixtrans-64-40.1173.200000111.7S108 L137 L141 G142 G143 L194 G198S108-A139 VanDerWaalsContact CB-CB 3.45Å; L137-A139 PolarHBondContact O-N 3.02Å; A139-L141 VanDerWaalsContact C-N 3.31Å; A139-L141 PolarHBondContact O-N 3.47Å; A139-G142 PolarHBondContact O-N 3.41Å; A139-G143 PolarHBondContact O-N 3.32Å; A139-L194 VanDerWaalsContact CA-O 3.26Å; A139-L194 WeakPolarHBondContact CA-O 3.27Å; A139-L194 HydrophobicContact CB-CB 4.2Å; A139-L194 HydrophobicContact CB-CD2 4.09Å; A139-L194 WeakPolarHBondContact CB-O 3.41Å; A139-G198 WeakPolarHBondContact O-CA 3.35Å
140L97.3Very high95Very high6 Ų620.8 Ų20.83%0.03110%0.102CC..Hα-helixtrans-65.1-34.8174.6-169.860.8000112.1T80 M84 F100 V104 L137 V138 G142 G143 V144T80-L140 HydrophobicContact CG2-CB 4.01Å; T80-L140 HydrophobicContact CG2-CD2 4.16Å; T80-L140 HydrophobicContact CG2-CG 3.92Å; M84-L140 HydrophobicContact CE-CD1 3.27Å; M84-L140 HydrophobicContact CE-CD2 3.75Å; M84-L140 HydrophobicContact CE-CG 3.41Å; M84-L140 VanDerWaalsContact CE-CG 3.41Å; F100-L140 HydrophobicContact CD1-CD1 4.35Å; F100-L140 HydrophobicContact CE1-CD1 4.21Å; V104-L140 HydrophobicContact CB-CD1 4.23Å; V104-L140 HydrophobicContact CG1-CD1 4.32Å; L137-L140 HydrophobicContact CB-CB 4.16Å; L137-L140 HydrophobicContact CD2-CD2 4.25Å; L137-L140 CarbonylContact O-C 3.5Å; L137-L140 WeakPolarHBondContact O-CA 3.2Å; L137-L140 VanDerWaalsContact O-CB 3.27Å; L137-L140 WeakPolarHBondContact O-CB 3.38Å; L137-L140 PolarHBondContact O-N 2.93Å; V138-L140 VanDerWaalsContact C-N 3.31Å; V138-L140 PolarHBondContact O-N 3.45Å; L140-G142 VanDerWaalsContact C-N 3.32Å; L140-G142 PolarHBondContact O-N 2.93Å; L140-G143 CarbonylContact O-C 3.5Å; L140-G143 WeakPolarHBondContact O-CA 3.36Å; L140-G143 PolarHBondContact O-N 2.89Å; L140-V144 WeakPolarHBondContact O-CG2 3.38Å; L140-V144 PolarHBondContact O-N 3.38Å
141L97.6Very high94.6Very high16 Ų1619.6 Ų19.68%0.08410%0.099CC..Hα-helixtrans-59.5-44.5172.5-173.859.5000111.2L76 T80 L83 L137 V138 A139 G143 V144 T145 F178 F195L76-L141 HydrophobicContact CD2-CD2 3.61Å; L76-L141 HydrophobicContact CG-CD2 4.09Å; T80-L141 HydrophobicContact CG2-CB 4.12Å; T80-L141 HydrophobicContact CG2-CD1 4.5Å; T80-L141 WeakPolarHBondContact OG1-CB 3.48Å; T80-L141 WeakPolarHBondContact OG1-CD1 3.39Å; L83-L141 HydrophobicContact CD1-CD1 4.4Å; L137-L141 PolarHBondContact O-N 3.46Å; V138-L141 WeakPolarHBondContact O-CB 3.3Å; V138-L141 PolarHBondContact O-N 3.18Å; A139-L141 VanDerWaalsContact C-N 3.31Å; A139-L141 PolarHBondContact O-N 3.47Å; L141-G143 VanDerWaalsContact C-N 3.29Å; L141-G143 PolarHBondContact O-N 3.3Å; L141-V144 WeakPolarHBondContact O-CB 3.11Å; L141-V144 PolarHBondContact O-N 3.26Å; L141-T145 VanDerWaalsContact O-CG2 3.26Å; L141-T145 WeakPolarHBondContact O-CG2 3.49Å; L141-T145 PolarHBondContact O-N 3.29Å; L141-T145 VanDerWaalsContact O-N 3.15Å; L141-F178 HydrophobicContact CD2-CE2 4.27Å; L141-F178 HydrophobicContact CD2-CZ 4.19Å; L141-F195 HydrophobicContact CB-CD2 4.45Å; L141-F195 HydrophobicContact CB-CE2 4.33Å; L141-F195 HydrophobicContact CD2-CE2 4.26Å; L141-F195 HydrophobicContact CG-CE2 4Å
142G97.9Very high94.1Very high0 Ų017.3 Ų17.30%09%0.086CC..Hα-helixtrans-54.8-46.4170.300000111.5V138 A139 L140 V144 T145 V146 I199V138-G142 PolarHBondContact O-N 3.17Å; V138-G142 VanDerWaalsContact O-N 3.14Å; A139-G142 PolarHBondContact O-N 3.41Å; L140-G142 VanDerWaalsContact C-N 3.32Å; L140-G142 PolarHBondContact O-N 2.93Å; G142-V144 PolarHBondContact O-N 2.99Å; G142-T145 WeakPolarHBondContact O-CB 3.3Å; G142-T145 PolarHBondContact O-N 3.02Å; G142-T145 PolarHBondContact O-OG1 2.93Å; G142-V146 PolarHBondContact O-N 2.72Å; G142-I199 WeakPolarHBondContact O-CG1 3.47Å
143G97.3Very high93.5Very high0 Ų012.9 Ų12.90%07%0.072CC..Hα-helixtrans-62.8-38.4175.600000114.8A139 L140 L141 T145 V146 L147A139-G143 PolarHBondContact O-N 3.32Å; L140-G143 CarbonylContact O-C 3.5Å; L140-G143 WeakPolarHBondContact O-CA 3.36Å; L140-G143 PolarHBondContact O-N 2.89Å; L141-G143 VanDerWaalsContact C-N 3.29Å; L141-G143 PolarHBondContact O-N 3.3Å; G143-T145 PolarHBondContact O-N 2.69Å; G143-V146 PolarHBondContact O-N 3.41Å; G143-L147 WeakPolarHBondContact O-CB 3.31Å; G143-L147 PolarHBondContact O-N 2.9Å
144V95.5Very high92.7Very high5 Ų518 Ų183%0.0310%0.097CC..Hα-helixtrans-59.2-36.3174.3167.60000110.9T80 L83 M84 L87 L140 L141 G142 L147 G148T80-V144 HydrophobicContact CG2-CG2 3.99Å; L83-V144 HydrophobicContact CB-CG1 3.86Å; L83-V144 HydrophobicContact CD1-CG1 4.41Å; M84-V144 HydrophobicContact CB-CG2 4.02Å; M84-V144 HydrophobicContact CE-CG2 3.25Å; M84-V144 HydrophobicContact CG-CG2 4.43Å; M84-V144 HydrophobicContact SD-CG2 3.64Å; L87-V144 HydrophobicContact CD1-CG1 3.79Å; L140-V144 WeakPolarHBondContact O-CG2 3.38Å; L140-V144 PolarHBondContact O-N 3.38Å; L141-V144 WeakPolarHBondContact O-CB 3.11Å; L141-V144 PolarHBondContact O-N 3.26Å; G142-V144 PolarHBondContact O-N 2.99Å; V144-L147 PolarHBondContact O-N 3.43Å; V144-G148 PolarHBondContact O-N 3.33Å
145T95.5Very high92Very high14 Ų1423.5 Ų23.59%0.08612%0.121CC..Hα-helixtrans-65.1-40.3177.874.90000112.4L141 G142 G143 G148 R149 I170 F195L141-T145 VanDerWaalsContact O-CG2 3.26Å; L141-T145 WeakPolarHBondContact O-CG2 3.49Å; L141-T145 PolarHBondContact O-N 3.29Å; L141-T145 VanDerWaalsContact O-N 3.15Å; G142-T145 WeakPolarHBondContact O-CB 3.3Å; G142-T145 PolarHBondContact O-N 3.02Å; G142-T145 PolarHBondContact O-OG1 2.93Å; G143-T145 PolarHBondContact O-N 2.69Å; T145-G148 PolarHBondContact O-N 3.25Å; T145-R149 PolarHBondContact O-N 3.48Å; T145-I170 HydrophobicContact CG2-CG2 4.33Å; T145-F195 HydrophobicContact CG2-CE2 4.33Å; T145-F195 HydrophobicContact CG2-CZ 3.97Å
146V95Very high91.2Very high0 Ų026.9 Ų26.90%014%0.138CC..Hα-helixtrans-69-41.1177.2-178.70000110.7G142 G143 R149 Q150 P171 I199 A202 W203 L206 F224 F229G142-V146 PolarHBondContact O-N 2.72Å; G143-V146 PolarHBondContact O-N 3.41Å; V146-R149 WeakPolarHBondContact O-CB 3.29Å; V146-R149 PolarHBondContact O-N 3.26Å; V146-Q150 PolarHBondContact O-N 2.79Å; V146-P171 HydrophobicContact CG2-CB 4.27Å; V146-P171 HydrophobicContact CG2-CG 4.18Å; V146-I199 HydrophobicContact CG2-CB 4.15Å; V146-I199 HydrophobicContact CG2-CG1 4.25Å; V146-I199 HydrophobicContact CG2-CG2 3.75Å; V146-A202 HydrophobicContact CB-CB 4.32Å; V146-A202 HydrophobicContact CG2-CB 4.45Å; V146-W203 HydrophobicContact CG1-CB 4Å; V146-L206 HydrophobicContact CG1-CD1 3.94Å; V146-F224 HydrophobicContact CG1-CE2 4.24Å; V146-F224 HydrophobicContact CG1-CZ 3.87Å; V146-F229 HydrophobicContact CG1-CE2 4.46Å; V146-F229 HydrophobicContact CG1-CZ 3.86Å; V146-F229 HydrophobicContact CG2-CE2 4.08Å; V146-F229 HydrophobicContact CG2-CZ 4.28Å
147L92.4Very high90.4Very high2 Ų229.7 Ų29.71%0.0115%0.153CC..Hα-helixtrans-65.2-42175.9-175.868000111.9M84 L88 F100 G143 V144 R149 Q150 M151 L206M84-L147 HydrophobicContact SD-CD2 3.9Å; L88-L147 HydrophobicContact CD1-CD2 3.13Å; L88-L147 HydrophobicContact CD1-CG 4.48Å; L88-L147 HydrophobicContact CD2-CD2 3.87Å; L88-L147 HydrophobicContact CG-CD2 3.6Å; F100-L147 HydrophobicContact CE1-CD2 4.25Å; F100-L147 HydrophobicContact CZ-CB 4.44Å; G143-L147 WeakPolarHBondContact O-CB 3.31Å; G143-L147 PolarHBondContact O-N 2.9Å; V144-L147 PolarHBondContact O-N 3.43Å; L147-R149 VanDerWaalsContact C-N 3.27Å; L147-R149 PolarHBondContact O-N 2.94Å; L147-Q150 WeakPolarHBondContact O-CB 3.43Å; L147-Q150 PolarHBondContact O-N 3.48Å; L147-M151 HydrophobicContact CD1-CE 4.3Å; L147-M151 HydrophobicContact CD1-CG 4.48Å; L147-M151 HydrophobicContact CG-CG 4.47Å; L147-M151 WeakPolarHBondContact O-CG 3.47Å; L147-M151 PolarHBondContact O-N 3.09Å; L147-L206 HydrophobicContact CB-CD1 4.34Å; L147-L206 HydrophobicContact CD1-CD1 4.15Å; L147-L206 HydrophobicContact CD1-CD2 4.18Å
148G90.5Very high89.6Confident6 Ų633.2 Ų33.26%0.06217%0.171CC..Hα-helixtrans-58.7-40.4174.200000111.7V144 T145 M151 M152V144-G148 PolarHBondContact O-N 3.33Å; T145-G148 PolarHBondContact O-N 3.25Å; G148-M151 PolarHBondContact O-N 3.25Å; G148-M152 WeakPolarHBondContact O-CB 3.33Å; G148-M152 PolarHBondContact O-N 2.94Å
149R90.1Very high88.7Confident3 Ų338.2 Ų38.21%0.01120%0.197CC..Hα-helixtrans-57.5-51.3168.9160-174.9-178.8111.9-2.4111.3T145 V146 L147 M151 M152 S153 K168 P171 S223 F224 T225 G228 F229T145-R149 PolarHBondContact O-N 3.48Å; V146-R149 WeakPolarHBondContact O-CB 3.29Å; V146-R149 PolarHBondContact O-N 3.26Å; L147-R149 VanDerWaalsContact C-N 3.27Å; L147-R149 PolarHBondContact O-N 2.94Å; R149-M151 VanDerWaalsContact C-N 3.25Å; R149-M151 PolarHBondContact O-N 3.03Å; R149-M152 PolarHBondContact O-N 3.33Å; R149-S153 VanDerWaalsContact O-CA 3.23Å; R149-S153 WeakPolarHBondContact O-CA 3.42Å; R149-S153 WeakPolarHBondContact O-CB 3.42Å; R149-S153 PolarHBondContact O-N 2.95Å; R149-K168 PolarHBondContact NH1-O 2.89Å; R149-P171 HydrophobicContact CB-CG 4.14Å; R149-S223 PolarHBondContact NH2-O 2.82Å; R149-F224 HydrophobicContact CG-CE2 4.34Å; R149-T225 PolarHBondContact NH2-O 2.79Å; R149-G228 PolarHBondContact NH1-O 3.22Å; R149-G228 PolarHBondContact NH2-O 3.47Å; R149-F229 VanDerWaalsContact CD-CD1 3.48Å; R149-F229 VanDerWaalsContact NE-CD1 3.35Å; R149-F229 VanDerWaalsContact NH1-N 3.2Å
150Q89.9Confident87.6Confident29 Ų2943.2 Ų43.214%0.13622%0.219CC..Hα-helixtrans-58.7-40-176.8-165.1-175.426.100111.5V146 L147 Q210 D219 F224V146-Q150 PolarHBondContact O-N 2.79Å; L147-Q150 WeakPolarHBondContact O-CB 3.43Å; L147-Q150 PolarHBondContact O-N 3.48Å; Q150-Q210 VanDerWaalsContact NE2-OE1 3.09Å; Q150-D219 PolarHBondContact NE2-OD2 2.99Å; Q150-D219 VanDerWaalsContact NE2-OD2 3.11Å; Q150-F224 HydrophobicContact CB-CD2 4.4Å; Q150-F224 HydrophobicContact CB-CE2 3.86Å; Q150-F224 HydrophobicContact CB-CZ 4.35Å; Q150-F224 HydrophobicContact CG-CD2 4.35Å; Q150-F224 HydrophobicContact CG-CE2 4.11Å; Q150-F224 HydrophobicContact CG-CZ 4.41Å
151M86Confident86.6Confident59 Ų5949.3 Ų49.329%0.29126%0.259SS..Hα-helixtrans-81.2-28.3-176.4-62.8-59.8107.400114.4P91 Y92 L147 G148 R149P91-M151 HydrophobicContact CG-SD 3.88Å; Y92-M151 HydrophobicContact CE2-CE 3.7Å; Y92-M151 HydrophobicContact CE2-SD 3.75Å; Y92-M151 VanDerWaalsContact OH-CE 3.25Å; Y92-M151 WeakPolarHBondContact OH-CE 3.38Å; L147-M151 HydrophobicContact CD1-CE 4.3Å; L147-M151 HydrophobicContact CD1-CG 4.48Å; L147-M151 HydrophobicContact CG-CG 4.47Å; L147-M151 WeakPolarHBondContact O-CG 3.47Å; L147-M151 PolarHBondContact O-N 3.09Å; G148-M151 PolarHBondContact O-N 3.25Å; R149-M151 VanDerWaalsContact C-N 3.25Å; R149-M151 PolarHBondContact O-N 3.03Å
152M83.2Confident85.5Confident53 Ų5357 Ų5726%0.26130%0.299SS..Hα-helixtrans-128.214.8-169-58.5-171.8-176.200113.8L87 G148 R149 D154 K155 Y167L87-M152 HydrophobicContact CD2-CE 3.44Å; L87-M152 VanDerWaalsContact CD2-CE 3.44Å; L87-M152 HydrophobicContact CD2-SD 4.24Å; G148-M152 WeakPolarHBondContact O-CB 3.33Å; G148-M152 PolarHBondContact O-N 2.94Å; R149-M152 PolarHBondContact O-N 3.33Å; M152-D154 PolarHBondContact O-N 3.43Å; M152-K155 HydrophobicContact CB-CD 4.24Å; M152-K155 HydrophobicContact CG-CD 4.45Å; M152-K155 WeakPolarHBondContact O-CB 3.44Å; M152-K155 PolarHBondContact O-N 3.35Å; M152-Y167 HydrophobicContact CB-CD1 3.77Å; M152-Y167 HydrophobicContact CB-CE1 4.44Å; M152-Y167 HydrophobicContact CB-CG 4.07Å; M152-Y167 WeakPolarHBondContact O-CB 3.5Å; M152-Y167 HydrophobicContact SD-CD1 4.23Å; M152-Y167 HydrophobicContact SD-CE1 4.02Å
153S80.7Confident84.5Confident21 Ų2158.7 Ų58.715%0.14732%0.317CS..THydrogen-bonded Turntrans-44.8-40.7-171.1-166.30000114.5R149 K155R149-S153 VanDerWaalsContact O-CA 3.23Å; R149-S153 WeakPolarHBondContact O-CA 3.42Å; R149-S153 WeakPolarHBondContact O-CB 3.42Å; R149-S153 PolarHBondContact O-N 2.95Å; S153-K155 PolarHBondContact O-N 3.33Å
154D77.4Confident83.7Confident141 Ų14165.9 Ų65.975%0.75435%0.348SS*.THydrogen-bonded Turntrans-78.9-15.7-174.1-62.2-38.2000114.5M152M152-D154 PolarHBondContact O-N 3.43Å
155K80.9Confident83.1Confident117 Ų11768 Ų6851%0.50936%0.359SS..SBendtrans-72.5144.4-178.4-64.6-176.6-176.8176.60110.7M152 S153 R166 Y167M152-K155 HydrophobicContact CB-CD 4.24Å; M152-K155 HydrophobicContact CG-CD 4.45Å; M152-K155 WeakPolarHBondContact O-CB 3.44Å; M152-K155 PolarHBondContact O-N 3.35Å; S153-K155 PolarHBondContact O-N 3.33Å; K155-R166 WeakPolarHBondContact O-CA 3.13Å; K155-Y167 HydrophobicContact CB-CD2 3.46Å; K155-Y167 VanDerWaalsContact CB-CD2 3.46Å; K155-Y167 HydrophobicContact CB-CE2 3.75Å; K155-Y167 HydrophobicContact CB-CG 4.16Å; K155-Y167 VanDerWaalsContact O-CD2 3.29Å; K155-Y167 WeakPolarHBondContact O-CD2 3.42Å; K155-Y167 PolarHBondContact O-N 2.84Å
156L79.8Confident82.7Confident79 Ų7972 Ų7241%0.41437%0.373SS..EExtended strand (participates in β ladder)trans-78130.8169.9-165.990.6000109.1D159 K164 R166 Y167L156-D159 HydrophobicContact CD2-CB 3.75Å; L156-K164 HydrophobicContact CD1-CB 3.88Å; L156-K164 HydrophobicContact CD1-CD 4.34Å; L156-K164 HydrophobicContact CD1-CG 4.21Å; L156-R166 HydrophobicContact CD1-CG 4.42Å; L156-Y167 WeakPolarHBondContact O-CE2 3.49Å
157L79Confident82.3Confident59 Ų5975.4 Ų75.431%0.30939%0.386SS..EExtended strand (participates in β ladder)trans-84.3-57.4172.8-81.6170.8000111.1I165 R166 Y167 I170L157-I165 HydrophobicContact CB-CG2 4.24Å; L157-I165 WeakPolarHBondContact CB-O 3.35Å; L157-I165 HydrophobicContact CD1-CG2 3.96Å; L157-I165 PolarHBondContact N-O 3.49Å; L157-R166 WeakPolarHBondContact CD1-O 3.41Å; L157-Y167 HydrophobicContact CB-CD2 4.28Å; L157-Y167 HydrophobicContact CB-CE2 4.34Å; L157-Y167 HydrophobicContact CD1-CG 4.49Å; L157-Y167 HydrophobicContact CD2-CD1 3.79Å; L157-Y167 HydrophobicContact CD2-CD2 3.44Å; L157-Y167 VanDerWaalsContact CD2-CD2 3.44Å; L157-Y167 HydrophobicContact CD2-CE1 3.58Å; L157-Y167 HydrophobicContact CD2-CE2 3.26Å; L157-Y167 HydrophobicContact CD2-CG 3.7Å; L157-Y167 HydrophobicContact CG-CD1 4.34Å; L157-Y167 HydrophobicContact CG-CD2 3.39Å; L157-Y167 HydrophobicContact CG-CE2 3.67Å; L157-Y167 HydrophobicContact CG-CG 3.75Å; L157-I170 HydrophobicContact CD1-CD1 4.26Å; L157-I170 HydrophobicContact CD1-CG1 3.66Å; L157-I170 HydrophobicContact CD2-CD1 4.19Å; L157-I170 HydrophobicContact CD2-CG1 4.41Å
158I80.3Confident82.1Confident86 Ų8676.8 Ų76.844%0.44139%0.392SS..EExtended strand (participates in β ladder)trans-145131.5-174.6-53.9173.9000107.6F160 I165I158-F160 HydrophobicContact CB-CD2 4.2Å; I158-F160 HydrophobicContact CB-CE2 3.98Å; I158-F160 HydrophobicContact CD1-CE2 4.19Å; I158-F160 HydrophobicContact CG2-CD2 3.6Å; I158-F160 HydrophobicContact CG2-CE1 4.43Å; I158-F160 HydrophobicContact CG2-CE2 3.35Å; I158-F160 HydrophobicContact CG2-CG 4.26Å; I158-F160 HydrophobicContact CG2-CZ 3.81Å; I158-I165 PolarHBondContact N-O 3.45Å; I158-I165 PolarHBondContact O-N 2.91Å; I158-I165 VanDerWaalsContact O-N 3.13Å
159D77.9Confident82.2Confident106 Ų10677.2 Ų77.257%0.56739%0.392SS*.EExtended strand (participates in β ladder)trans-92.9104.8171.3-149.62.5000108.7L156L156-D159 HydrophobicContact CD2-CB 3.75Å
160F75.2Confident82.3Confident105 Ų10579 Ų7946%0.46140%0.402SS..EExtended strand (participates in β ladder)trans-101.5147.2169.7-76.3-75.8000109.6I158 L162 G163 I165I158-F160 HydrophobicContact CB-CD2 4.2Å; I158-F160 HydrophobicContact CB-CE2 3.98Å; I158-F160 HydrophobicContact CD1-CE2 4.19Å; I158-F160 HydrophobicContact CG2-CD2 3.6Å; I158-F160 HydrophobicContact CG2-CE1 4.43Å; I158-F160 HydrophobicContact CG2-CE2 3.35Å; I158-F160 HydrophobicContact CG2-CG 4.26Å; I158-F160 HydrophobicContact CG2-CZ 3.81Å; F160-L162 PolarHBondContact O-N 2.73Å; F160-L162 VanDerWaalsContact O-N 3.12Å; F160-G163 WeakPolarHBondContact CB-O 3.47Å; F160-G163 PolarHBondContact N-O 3.47Å; F160-G163 CarbonylContact O-C 3.55Å; F160-G163 PolarHBondContact O-N 3.46Å; F160-I165 HydrophobicContact CD2-CD1 3.99Å; F160-I165 HydrophobicContact CD2-CG1 4.45Å; F160-I165 HydrophobicContact CE2-CD1 4.02Å
161P75.9Confident82.5Confident134 Ų13477.8 Ų77.887%0.8740%0.396SS*.THydrogen-bonded Turntrans-60.1-24.817524.7-33.7000112.8
162L74.9Confident82.9Confident177 Ų17777.2 Ų77.293%0.92739%0.392SS*.THydrogen-bonded Turntrans-91.8-3.1179.8-63.1173.4000114F160F160-L162 PolarHBondContact O-N 2.73Å; F160-L162 VanDerWaalsContact O-N 3.12Å
163G77Confident83.4Confident36 Ų3678.1 Ų78.137%0.37140%0.397SS..EExtended strand (participates in β ladder)trans161.2147.3179.400000114.5F160F160-G163 WeakPolarHBondContact CB-O 3.47Å; F160-G163 PolarHBondContact N-O 3.47Å; F160-G163 CarbonylContact O-C 3.55Å; F160-G163 PolarHBondContact O-N 3.46Å
164K81.1Confident84.1Confident151 Ų15178.2 Ų78.266%0.65740%0.398SS*.EExtended strand (participates in β ladder)trans-88.3111.3179-67.2-177.4179.9-178.70110.9L156L156-K164 HydrophobicContact CD1-CB 3.88Å; L156-K164 HydrophobicContact CD1-CD 4.34Å; L156-K164 HydrophobicContact CD1-CG 4.21Å
165I83.4Confident85Confident49 Ų4972.6 Ų72.625%0.25137%0.371SS..EExtended strand (participates in β ladder)trans-88.3121.5173.8-57.9-178.6000108.5L157 I158 F160 H169 I173L157-I165 HydrophobicContact CB-CG2 4.24Å; L157-I165 WeakPolarHBondContact CB-O 3.35Å; L157-I165 HydrophobicContact CD1-CG2 3.96Å; L157-I165 PolarHBondContact N-O 3.49Å; I158-I165 PolarHBondContact N-O 3.45Å; I158-I165 PolarHBondContact O-N 2.91Å; I158-I165 VanDerWaalsContact O-N 3.13Å; F160-I165 HydrophobicContact CD2-CD1 3.99Å; F160-I165 HydrophobicContact CD2-CG1 4.45Å; F160-I165 HydrophobicContact CE2-CD1 4.02Å; I165-H169 HydrophobicContact CG2-CB 4.46Å; I165-I173 HydrophobicContact CG2-CD1 3.58Å
166R87.3Confident85.7Confident100 Ų10071.8 Ų71.838%0.37737%0.371SS..EExtended strand (participates in β ladder)trans-105.1159.4176.6-73.7-169.7-74.6-177.3-5.6111.7K155 L156 L157 K168 H169K155-R166 WeakPolarHBondContact O-CA 3.13Å; L156-R166 HydrophobicContact CD1-CG 4.42Å; L157-R166 WeakPolarHBondContact CD1-O 3.41Å; R166-K168 HydrophobicContact CB-CD 4.43Å; R166-K168 HydrophobicContact CB-CG 4.01Å; R166-K168 VanDerWaalsContact NH2-NZ 3.18Å; R166-K168 PolarHBondContact O-N 3.33Å; R166-H169 PolarHBondContact O-N 2.93Å
167Y86Confident86.4Confident70 Ų7071.1 Ų71.128%0.27537%0.374SS..G310 helixtrans-55.8-22.7177.1-85.1-106.3000112.8M152 K155 L156 L157 H169 I170M152-Y167 HydrophobicContact CB-CD1 3.77Å; M152-Y167 HydrophobicContact CB-CE1 4.44Å; M152-Y167 HydrophobicContact CB-CG 4.07Å; M152-Y167 WeakPolarHBondContact O-CB 3.5Å; M152-Y167 HydrophobicContact SD-CD1 4.23Å; M152-Y167 HydrophobicContact SD-CE1 4.02Å; K155-Y167 HydrophobicContact CB-CD2 3.46Å; K155-Y167 VanDerWaalsContact CB-CD2 3.46Å; K155-Y167 HydrophobicContact CB-CE2 3.75Å; K155-Y167 HydrophobicContact CB-CG 4.16Å; K155-Y167 VanDerWaalsContact O-CD2 3.29Å; K155-Y167 WeakPolarHBondContact O-CD2 3.42Å; K155-Y167 PolarHBondContact O-N 2.84Å; L156-Y167 WeakPolarHBondContact O-CE2 3.49Å; L157-Y167 HydrophobicContact CB-CD2 4.28Å; L157-Y167 HydrophobicContact CB-CE2 4.34Å; L157-Y167 HydrophobicContact CD1-CG 4.49Å; L157-Y167 HydrophobicContact CD2-CD1 3.79Å; L157-Y167 HydrophobicContact CD2-CD2 3.44Å; L157-Y167 VanDerWaalsContact CD2-CD2 3.44Å; L157-Y167 HydrophobicContact CD2-CE1 3.58Å; L157-Y167 HydrophobicContact CD2-CE2 3.26Å; L157-Y167 HydrophobicContact CD2-CG 3.7Å; L157-Y167 HydrophobicContact CG-CD1 4.34Å; L157-Y167 HydrophobicContact CG-CD2 3.39Å; L157-Y167 HydrophobicContact CG-CE2 3.67Å; L157-Y167 HydrophobicContact CG-CG 3.75Å; Y167-H169 PolarHBondContact O-N 3.04Å; Y167-H169 VanDerWaalsContact O-N 3.13Å; Y167-I170 HydrophobicContact CD1-CD1 3.33Å; Y167-I170 HydrophobicContact CE1-CD1 4Å; Y167-I170 HydrophobicContact CG-CD1 3.96Å; Y167-I170 VanDerWaalsContact O-CG1 3.26Å; Y167-I170 WeakPolarHBondContact O-CG1 3.27Å; Y167-I170 PolarHBondContact O-N 2.92Å
168K88.7Confident87.2Confident31 Ų3169.3 Ų69.314%0.13536%0.363CS..G310 helixtrans-53.7-30.2170.980.3-177.8-171.8165.70113.7R149 R166R149-K168 PolarHBondContact NH1-O 2.89Å; R166-K168 HydrophobicContact CB-CD 4.43Å; R166-K168 HydrophobicContact CB-CG 4.01Å; R166-K168 VanDerWaalsContact NH2-NZ 3.18Å; R166-K168 PolarHBondContact O-N 3.33Å
169H91Very high88Confident16 Ų1666.5 Ų66.57%0.07435%0.353CS..G310 helixtrans-88-0-177.2-61.4-57.8000115I165 R166 Y167 F172 I173 F229 F230I165-H169 HydrophobicContact CG2-CB 4.46Å; R166-H169 PolarHBondContact O-N 2.93Å; Y167-H169 PolarHBondContact O-N 3.04Å; Y167-H169 VanDerWaalsContact O-N 3.13Å; H169-F172 PolarHBondContact O-N 2.98Å; H169-I173 HydrophobicContact CB-CD1 3.88Å; H169-I173 HydrophobicContact CB-CG1 4.32Å; H169-I173 WeakPolarHBondContact O-CG1 3.29Å; H169-I173 PolarHBondContact O-N 3.38Å; H169-F229 WeakPolarHBondContact CA-O 3.38Å; H169-F229 PolarHBondContact ND1-O 3.01Å; H169-F230 PolarHBondContact CE1-O 3.41Å; H169-F230 PolarHBondContact ND1-O 2.88Å
170I92.6Very high89Confident41 Ų4164.9 Ų64.921%0.2135%0.347CS..Hα-helixtrans-54.8-46.9-177.5-65.9173.6000112.9T145 L157 Y167 F172 I173 S174T145-I170 HydrophobicContact CG2-CG2 4.33Å; L157-I170 HydrophobicContact CD1-CD1 4.26Å; L157-I170 HydrophobicContact CD1-CG1 3.66Å; L157-I170 HydrophobicContact CD2-CD1 4.19Å; L157-I170 HydrophobicContact CD2-CG1 4.41Å; Y167-I170 HydrophobicContact CD1-CD1 3.33Å; Y167-I170 HydrophobicContact CE1-CD1 4Å; Y167-I170 HydrophobicContact CG-CD1 3.96Å; Y167-I170 VanDerWaalsContact O-CG1 3.26Å; Y167-I170 WeakPolarHBondContact O-CG1 3.27Å; Y167-I170 PolarHBondContact O-N 2.92Å; I170-F172 VanDerWaalsContact C-N 3.26Å; I170-F172 PolarHBondContact O-N 3.34Å; I170-I173 PolarHBondContact O-N 3.42Å; I170-S174 VanDerWaalsContact O-CB 3.27Å; I170-S174 WeakPolarHBondContact O-CB 3.5Å; I170-S174 PolarHBondContact O-N 3.28Å; I170-S174 PolarHBondContact O-OG 3.14Å
171P94.9Very high89.9Confident2 Ų262.8 Ų62.81%0.01334%0.34CS..Hα-helixtrans-58.9-40.2-179.1-25.135.4000112.4V146 R149 S174 A175 I199 F229V146-P171 HydrophobicContact CG2-CB 4.27Å; V146-P171 HydrophobicContact CG2-CG 4.18Å; R149-P171 HydrophobicContact CB-CG 4.14Å; P171-S174 PolarHBondContact O-OG 2.93Å; P171-S174 VanDerWaalsContact O-OG 3.07Å; P171-A175 WeakPolarHBondContact O-CB 3.41Å; P171-A175 PolarHBondContact O-N 3.34Å; P171-I199 HydrophobicContact CB-CD1 4.45Å; P171-I199 HydrophobicContact CB-CG2 4.31Å; P171-F229 HydrophobicContact CB-CD2 3.65Å; P171-F229 HydrophobicContact CB-CE2 4.01Å; P171-F229 HydrophobicContact CB-CG 4.16Å; P171-F229 HydrophobicContact CG-CD2 4.09Å; P171-F229 HydrophobicContact CG-CE2 4.23Å; P171-F229 HydrophobicContact CG-CG 4.28Å
172F93.5Very high90.8Very high47 Ų4760.6 Ų60.621%0.20632%0.317CS..Hα-helixtrans-69.5-48.2178175.2-105.7000112.3H169 I170 S174 A175 L176 F229 F230 P231 L234H169-F172 PolarHBondContact O-N 2.98Å; I170-F172 VanDerWaalsContact C-N 3.26Å; I170-F172 PolarHBondContact O-N 3.34Å; F172-S174 VanDerWaalsContact C-N 3.34Å; F172-S174 PolarHBondContact O-N 3.37Å; F172-A175 PolarHBondContact O-N 2.88Å; F172-L176 WeakPolarHBondContact O-CB 3.34Å; F172-L176 PolarHBondContact O-N 3.32Å; F172-F229 VanDerWaalsContact CB-O 3.24Å; F172-F229 WeakPolarHBondContact CB-O 3.44Å; F172-F230 AromaticContact CD2-CD1 3.32Å; F172-F230 HydrophobicContact CD2-CD1 3.32Å; F172-F230 AromaticContact CD2-CE1 3.34Å; F172-F230 HydrophobicContact CD2-CE1 3.34Å; F172-F230 HydrophobicContact CD2-CG 4.08Å; F172-F230 HydrophobicContact CD2-CZ 4.08Å; F172-F230 AromaticContact CE2-CD1 3.43Å; F172-F230 HydrophobicContact CE2-CD1 3.43Å; F172-F230 VanDerWaalsContact CE2-CD1 3.43Å; F172-F230 AromaticContact CE2-CE1 3.5Å; F172-F230 HydrophobicContact CE2-CE1 3.5Å; F172-F230 VanDerWaalsContact CE2-CE1 3.5Å; F172-F230 HydrophobicContact CG-CD1 4.14Å; F172-F230 HydrophobicContact CG-CE1 4.45Å; F172-F230 HydrophobicContact CZ-CD1 4.32Å; F172-P231 HydrophobicContact CD1-CG 4.26Å; F172-P231 HydrophobicContact CE1-CG 3.96Å; F172-L234 HydrophobicContact CE2-CD1 4.4Å; F172-L234 HydrophobicContact CZ-CD1 4.03Å
173I93.7Very high91.8Very high73 Ų7356.8 Ų56.837%0.37431%0.305SS..Hα-helixtrans-62.9-42.9-179.1-66.2167.6000110.8I165 H169 I170 L176 S177I165-I173 HydrophobicContact CG2-CD1 3.58Å; H169-I173 HydrophobicContact CB-CD1 3.88Å; H169-I173 HydrophobicContact CB-CG1 4.32Å; H169-I173 WeakPolarHBondContact O-CG1 3.29Å; H169-I173 PolarHBondContact O-N 3.38Å; I170-I173 PolarHBondContact O-N 3.42Å; I173-L176 PolarHBondContact O-N 3.03Å; I173-S177 WeakPolarHBondContact O-CB 3.36Å; I173-S177 PolarHBondContact O-N 3.4Å
174S95.5Very high92.8Very high23 Ų2361.5 Ų61.516%0.16132%0.32CS..Hα-helixtrans-68-38.7177.959.50000112.3I170 P171 F172 S177 F178I170-S174 VanDerWaalsContact O-CB 3.27Å; I170-S174 WeakPolarHBondContact O-CB 3.5Å; I170-S174 PolarHBondContact O-N 3.28Å; I170-S174 PolarHBondContact O-OG 3.14Å; P171-S174 PolarHBondContact O-OG 2.93Å; P171-S174 VanDerWaalsContact O-OG 3.07Å; F172-S174 VanDerWaalsContact C-N 3.34Å; F172-S174 PolarHBondContact O-N 3.37Å; S174-S177 PolarHBondContact O-N 3.4Å; S174-F178 WeakPolarHBondContact O-CB 3.42Å; S174-F178 PolarHBondContact O-N 3.21Å
175A96.4Very high93.3Very high23 Ų2357.3 Ų57.319%0.1932%0.32CS..Hα-helixtrans-63.8-41.4173.100000112.2P171 F172 F178 A179 F195 I199P171-A175 WeakPolarHBondContact O-CB 3.41Å; P171-A175 PolarHBondContact O-N 3.34Å; F172-A175 PolarHBondContact O-N 2.88Å; A175-F178 PolarHBondContact O-N 2.88Å; A175-A179 WeakPolarHBondContact O-CB 3.41Å; A175-A179 PolarHBondContact O-N 3.34Å; A175-F195 HydrophobicContact CB-CE1 4.17Å; A175-I199 HydrophobicContact CB-CD1 4.01Å
176L95.5Very high93.7Very high99 Ų9961.5 Ų61.552%0.51834%0.337SS..Hα-helixtrans-64.2-42.6174.8-176.162.6000111.3F172 I173 F178 A179 V180F172-L176 WeakPolarHBondContact O-CB 3.34Å; F172-L176 PolarHBondContact O-N 3.32Å; I173-L176 PolarHBondContact O-N 3.03Å; L176-F178 PolarHBondContact O-N 2.96Å; L176-A179 WeakPolarHBondContact O-CB 2.99Å; L176-A179 PolarHBondContact O-N 3.17Å; L176-V180 WeakPolarHBondContact O-CG2 3.24Å; L176-V180 PolarHBondContact O-N 2.97Å
177S95.7Very high93.9Very high66 Ų6657.7 Ų57.746%0.46233%0.325SS..Hα-helixtrans-60.1-45.1174.6179.20000111.6I173 S174 A179 V180 L181I173-S177 WeakPolarHBondContact O-CB 3.36Å; I173-S177 PolarHBondContact O-N 3.4Å; S174-S177 PolarHBondContact O-N 3.4Å; S177-A179 VanDerWaalsContact C-N 3.33Å; S177-A179 PolarHBondContact O-N 3.15Å; S177-V180 PolarHBondContact O-N 3.09Å; S177-L181 WeakPolarHBondContact O-CG 3.41Å; S177-L181 PolarHBondContact O-N 3.02Å
178F95.9Very high94.2Very high21 Ų2158 Ų589%0.09234%0.335CS..Hα-helixtrans-62.8-37.3174.5-105-108.2000112.8L76 V138 L141 S174 A175 L176 L181 F182 F192 F195L76-F178 HydrophobicContact CD2-CE2 4.32Å; L76-F178 HydrophobicContact CD2-CZ 3.67Å; V138-F178 HydrophobicContact CG1-CE1 3.78Å; V138-F178 HydrophobicContact CG1-CZ 4.17Å; L141-F178 HydrophobicContact CD2-CE2 4.27Å; L141-F178 HydrophobicContact CD2-CZ 4.19Å; S174-F178 WeakPolarHBondContact O-CB 3.42Å; S174-F178 PolarHBondContact O-N 3.21Å; A175-F178 PolarHBondContact O-N 2.88Å; L176-F178 PolarHBondContact O-N 2.96Å; F178-L181 PolarHBondContact O-N 3.39Å; F178-F182 WeakPolarHBondContact O-CB 3.49Å; F178-F182 PolarHBondContact O-N 3.19Å; F178-F192 HydrophobicContact CB-CD2 4.23Å; F178-F195 HydrophobicContact CB-CD1 4Å; F178-F195 HydrophobicContact CB-CE1 4.35Å; F178-F195 HydrophobicContact CB-CG 4.42Å; F178-F195 HydrophobicContact CD1-CB 3.7Å; F178-F195 HydrophobicContact CD1-CD1 4.16Å; F178-F195 HydrophobicContact CD1-CD2 4.12Å; F178-F195 AromaticContact CD1-CG 3.72Å; F178-F195 HydrophobicContact CD1-CG 3.72Å; F178-F195 HydrophobicContact CD2-CD1 4.24Å; F178-F195 HydrophobicContact CD2-CD2 4.08Å; F178-F195 HydrophobicContact CD2-CE1 4.24Å; F178-F195 HydrophobicContact CD2-CE2 4.07Å; F178-F195 HydrophobicContact CD2-CG 4.17Å; F178-F195 HydrophobicContact CD2-CZ 4.17Å; F178-F195 HydrophobicContact CE1-CB 3.86Å; F178-F195 AromaticContact CE1-CD2 3.9Å; F178-F195 HydrophobicContact CE1-CD2 3.9Å; F178-F195 AromaticContact CE1-CG 3.92Å; F178-F195 HydrophobicContact CE1-CG 3.92Å; F178-F195 AromaticContact CE2-CD2 3.87Å; F178-F195 HydrophobicContact CE2-CD2 3.87Å; F178-F195 AromaticContact CE2-CE2 3.9Å; F178-F195 HydrophobicContact CE2-CE2 3.9Å; F178-F195 HydrophobicContact CE2-CG 4.35Å; F178-F195 HydrophobicContact CE2-CZ 4.42Å; F178-F195 HydrophobicContact CG-CB 4.3Å; F178-F195 AromaticContact CG-CD1 3.88Å; F178-F195 HydrophobicContact CG-CD1 3.88Å; F178-F195 HydrophobicContact CG-CD2 4.19Å; F178-F195 HydrophobicContact CG-CE1 4.27Å; F178-F195 AromaticContact CG-CG 3.84Å; F178-F195 HydrophobicContact CG-CG 3.84Å; F178-F195 AromaticContact CZ-CD2 3.76Å; F178-F195 HydrophobicContact CZ-CD2 3.76Å; F178-F195 HydrophobicContact CZ-CE2 4.23Å; F178-F195 HydrophobicContact CZ-CG 4.22Å
179A96.7Very high94.5Very high27 Ų2758 Ų5822%0.22334%0.342CS..Hα-helixtrans-64.9-38.8175.300000112.2A175 L176 S177 F182 S183 F192A175-A179 WeakPolarHBondContact O-CB 3.41Å; A175-A179 PolarHBondContact O-N 3.34Å; L176-A179 WeakPolarHBondContact O-CB 2.99Å; L176-A179 PolarHBondContact O-N 3.17Å; S177-A179 VanDerWaalsContact C-N 3.33Å; S177-A179 PolarHBondContact O-N 3.15Å; A179-F182 PolarHBondContact O-N 2.63Å; A179-S183 WeakPolarHBondContact O-CB 3.48Å; A179-S183 PolarHBondContact O-N 2.91Å; A179-S183 PolarHBondContact O-OG 3.02Å; A179-F192 HydrophobicContact CB-CE2 3.74Å; A179-F192 HydrophobicContact CB-CZ 4.22Å
180V97.4Very high94.6Very high72 Ų7258.2 Ų58.244%0.43634%0.344SS..Hα-helixtrans-65.8-45.1174.1173.20000110.8L176 S177 F182 S183 I184L176-V180 WeakPolarHBondContact O-CG2 3.24Å; L176-V180 PolarHBondContact O-N 2.97Å; S177-V180 PolarHBondContact O-N 3.09Å; V180-F182 VanDerWaalsContact C-N 3.27Å; V180-F182 PolarHBondContact O-N 3.46Å; V180-S183 PolarHBondContact O-N 2.92Å; V180-S183 VanDerWaalsContact O-N 3.14Å; V180-I184 HydrophobicContact CG1-CD1 3.7Å; V180-I184 WeakPolarHBondContact O-CG1 3.49Å; V180-I184 PolarHBondContact O-N 3.38Å
181L95.5Very high94.8Very high60 Ų6056.7 Ų56.731%0.31434%0.337SS..Hα-helixtrans-59.9-39175.9-69.2175.1000112.1S177 F178 G185 F186 C187S177-L181 WeakPolarHBondContact O-CG 3.41Å; S177-L181 PolarHBondContact O-N 3.02Å; F178-L181 PolarHBondContact O-N 3.39Å; L181-G185 PolarHBondContact O-N 3.45Å; L181-F186 HydrophobicContact CB-CB 4.46Å; L181-F186 HydrophobicContact CD2-CB 4.25Å; L181-F186 HydrophobicContact CD2-CD1 3.96Å; L181-F186 HydrophobicContact CD2-CG 4.34Å; L181-F186 PolarHBondContact O-N 3.2Å; L181-C187 PolarHBondContact O-N 3.42Å
182F95Very high94.9Very high89 Ų8959.2 Ų59.239%0.3935%0.348SS..Hα-helixtrans-64.4-45.4174.1171.7-117.8000111.3F178 A179 V180 I184 G185 C187 G189 F192F178-F182 WeakPolarHBondContact O-CB 3.49Å; F178-F182 PolarHBondContact O-N 3.19Å; A179-F182 PolarHBondContact O-N 2.63Å; V180-F182 VanDerWaalsContact C-N 3.27Å; V180-F182 PolarHBondContact O-N 3.46Å; F182-I184 VanDerWaalsContact C-N 3.3Å; F182-I184 PolarHBondContact O-N 2.79Å; F182-G185 PolarHBondContact O-N 3.21Å; F182-C187 WeakPolarHBondContact CA-SG 3.26Å; F182-C187 VanDerWaalsContact CB-SG 3.59Å; F182-C187 PolarHBondContact N-SG 2.86Å; F182-G189 VanDerWaalsContact CE2-CA 3.46Å; F182-F192 HydrophobicContact CB-CB 4.2Å; F182-F192 HydrophobicContact CB-CD2 4.43Å; F182-F192 HydrophobicContact CB-CG 4.31Å; F182-F192 HydrophobicContact CD1-CD1 4.41Å; F182-F192 HydrophobicContact CD1-CG 4.49Å; F182-F192 HydrophobicContact CD2-CB 4.45Å; F182-F192 HydrophobicContact CG-CB 4.23Å; F182-F192 HydrophobicContact CG-CG 4.34Å
183S95.7Very high95Very high97 Ų9758.9 Ų58.968%0.67835%0.351SS*.Hα-helixtrans-64.8-31.9-177.8-56.60000113.1A179 V180 G185A179-S183 WeakPolarHBondContact O-CB 3.48Å; A179-S183 PolarHBondContact O-N 2.91Å; A179-S183 PolarHBondContact O-OG 3.02Å; V180-S183 PolarHBondContact O-N 2.92Å; V180-S183 VanDerWaalsContact O-N 3.14Å; S183-G185 VanDerWaalsContact C-N 3.28Å
184I96.4Very high95.2Very high134 Ų13455.5 Ų55.569%0.68733%0.334SS*.THydrogen-bonded Turntrans-83.9-5.5176-60165.7000111.3V180 F182V180-I184 HydrophobicContact CG1-CD1 3.7Å; V180-I184 WeakPolarHBondContact O-CG1 3.49Å; V180-I184 PolarHBondContact O-N 3.38Å; F182-I184 VanDerWaalsContact C-N 3.3Å; F182-I184 PolarHBondContact O-N 2.79Å
185G92.5Very high95.3Very high63 Ų6354.5 Ų54.565%0.64933%0.327SS*.THydrogen-bonded Turntrans80.813.5-179.900000114.6L181 F182 S183L181-G185 PolarHBondContact O-N 3.45Å; F182-G185 PolarHBondContact O-N 3.21Å; S183-G185 VanDerWaalsContact C-N 3.28Å
186F92.1Very high95.3Very high138 Ų13856.3 Ų56.361%0.60534%0.335SS*.SBendtrans-78.9-24.5178.4-166.3-99.8000112.9T72 L181T72-F186 HydrophobicContact CG2-CE1 4.09Å; T72-F186 HydrophobicContact CG2-CZ 4.36Å; L181-F186 HydrophobicContact CB-CB 4.46Å; L181-F186 HydrophobicContact CD2-CB 4.25Å; L181-F186 HydrophobicContact CD2-CD1 3.96Å; L181-F186 HydrophobicContact CD2-CG 4.34Å; L181-F186 PolarHBondContact O-N 3.2Å
187C91.6Very high95.4Very high20 Ų2053.1 Ų53.114%0.13532%0.32CS..SBendtrans-127.1155.3171.575.70000111.7L181 F182L181-C187 PolarHBondContact O-N 3.42Å; F182-C187 WeakPolarHBondContact CA-SG 3.26Å; F182-C187 VanDerWaalsContact CB-SG 3.59Å; F182-C187 PolarHBondContact N-SG 2.86Å
188T92.7Very high95.5Very high77 Ų7750 Ų5047%0.47230%0.298SS..  trans-80.1157.6-179.770.40000111.3I190 S191 F192T188-I190 PolarHBondContact O-N 2.99Å; T188-S191 PolarHBondContact O-N 2.82Å; T188-S191 VanDerWaalsContact O-N 3.1Å; T188-S191 PolarHBondContact OG1-N 3.35Å; T188-S191 VanDerWaalsContact OG1-N 3.16Å; T188-S191 PolarHBondContact OG1-OG 3.18Å; T188-F192 PolarHBondContact O-N 2.86Å
189G93.2Very high95.6Very high29 Ų2949.5 Ų49.530%0.29930%0.296SS..Hα-helixtrans-58.6-28.5173.200000113.3F182 S193F182-G189 VanDerWaalsContact CE2-CA 3.46Å; G189-S193 VanDerWaalsContact O-CB 3.27Å; G189-S193 WeakPolarHBondContact O-CB 3.09Å; G189-S193 PolarHBondContact O-N 2.89Å; G189-S193 PolarHBondContact O-OG 3.24Å
190I95.2Very high95.4Very high21 Ų2151.4 Ų51.411%0.10830%0.3CS..Hα-helixtrans-67.8-48.3173.6-63.2-59.5000111.1V112 V116 Y132 V134 T188 F192 S193 L194V112-I190 HydrophobicContact CG1-CD1 4.12Å; V112-I190 HydrophobicContact CG1-CG2 4.39Å; V116-I190 HydrophobicContact CG2-CD1 4.3Å; Y132-I190 HydrophobicContact CD1-CG1 4.21Å; Y132-I190 HydrophobicContact CG-CD1 4.47Å; Y132-I190 HydrophobicContact CG-CG1 4.34Å; V134-I190 HydrophobicContact CB-CG2 4.32Å; V134-I190 HydrophobicContact CG1-CG2 4.35Å; V134-I190 HydrophobicContact CG2-CD1 4.4Å; V134-I190 HydrophobicContact CG2-CG2 3.88Å; T188-I190 PolarHBondContact O-N 2.99Å; I190-F192 VanDerWaalsContact C-N 3.32Å; I190-F192 PolarHBondContact O-N 2.58Å; I190-S193 PolarHBondContact O-N 2.78Å; I190-L194 HydrophobicContact CG2-CD1 4.02Å; I190-L194 HydrophobicContact CG2-CG 4.39Å; I190-L194 WeakPolarHBondContact O-CB 3.42Å; I190-L194 WeakPolarHBondContact O-CG 3.27Å; I190-L194 PolarHBondContact O-N 3.39Å
191S95.4Very high95.4Very high9 Ų949.3 Ų49.36%0.06329%0.286CS..Hα-helixtrans-60.2-43.3177.6-54.30000111.4V138 T188 L194 F195V138-S191 WeakPolarHBondContact CG1-O 3.25Å; T188-S191 PolarHBondContact O-N 2.82Å; T188-S191 VanDerWaalsContact O-N 3.1Å; T188-S191 PolarHBondContact OG1-N 3.35Å; T188-S191 VanDerWaalsContact OG1-N 3.16Å; T188-S191 PolarHBondContact OG1-OG 3.18Å; S191-L194 PolarHBondContact O-N 3.25Å; S191-F195 WeakPolarHBondContact O-CB 3Å; S191-F195 PolarHBondContact O-N 3.36Å
192F96.5Very high95.4Very high55 Ų5546.5 Ų46.524%0.24127%0.271CS..Hα-helixtrans-61.2-48.1174.4175.7-109.4000112F178 A179 F182 T188 I190 L194 F195 V196F178-F192 HydrophobicContact CB-CD2 4.23Å; A179-F192 HydrophobicContact CB-CE2 3.74Å; A179-F192 HydrophobicContact CB-CZ 4.22Å; F182-F192 HydrophobicContact CB-CB 4.2Å; F182-F192 HydrophobicContact CB-CD2 4.43Å; F182-F192 HydrophobicContact CB-CG 4.31Å; F182-F192 HydrophobicContact CD1-CD1 4.41Å; F182-F192 HydrophobicContact CD1-CG 4.49Å; F182-F192 HydrophobicContact CD2-CB 4.45Å; F182-F192 HydrophobicContact CG-CB 4.23Å; F182-F192 HydrophobicContact CG-CG 4.34Å; T188-F192 PolarHBondContact O-N 2.86Å; I190-F192 VanDerWaalsContact C-N 3.32Å; I190-F192 PolarHBondContact O-N 2.58Å; F192-L194 PolarHBondContact O-N 3Å; F192-F195 WeakPolarHBondContact O-CB 3.44Å; F192-F195 PolarHBondContact O-N 3.49Å; F192-V196 HydrophobicContact CD2-CG2 4.25Å; F192-V196 HydrophobicContact CE1-CG2 4.31Å; F192-V196 HydrophobicContact CE2-CG2 3.74Å; F192-V196 HydrophobicContact CZ-CG2 3.78Å; F192-V196 WeakPolarHBondContact O-CG2 3.43Å; F192-V196 PolarHBondContact O-N 2.67Å
193S96.6Very high95.3Very high40 Ų4042.8 Ų42.828%0.2826%0.255SS..Hα-helixtrans-62.7-41.4179.2-60.50000112.1G189 I190 V196 T197G189-S193 VanDerWaalsContact O-CB 3.27Å; G189-S193 WeakPolarHBondContact O-CB 3.09Å; G189-S193 PolarHBondContact O-N 2.89Å; G189-S193 PolarHBondContact O-OG 3.24Å; I190-S193 PolarHBondContact O-N 2.78Å; S193-V196 PolarHBondContact O-N 3.4Å; S193-T197 WeakPolarHBondContact O-CB 3.45Å; S193-T197 VanDerWaalsContact O-CG2 3.26Å; S193-T197 WeakPolarHBondContact O-CG2 3.4Å; S193-T197 PolarHBondContact O-N 3.13Å; S193-T197 PolarHBondContact O-OG1 2.81Å
194L97.6Very high95.1Very high3 Ų338.8 Ų38.82%0.01623%0.226CC..Hα-helixtrans-59.9-45.9174.2-80171.8000111.4V112 V134 V138 A139 I190 S191 F192 T197 G198V112-L194 HydrophobicContact CB-CD2 4.2Å; V112-L194 HydrophobicContact CG2-CD2 3.93Å; V112-L194 HydrophobicContact CG2-CG 4.22Å; V134-L194 HydrophobicContact CG1-CD1 3.94Å; V134-L194 HydrophobicContact CG1-CD2 3.78Å; V134-L194 HydrophobicContact CG1-CG 4.17Å; V138-L194 HydrophobicContact CB-CB 4.38Å; V138-L194 HydrophobicContact CG1-CB 4.36Å; A139-L194 VanDerWaalsContact CA-O 3.26Å; A139-L194 WeakPolarHBondContact CA-O 3.27Å; A139-L194 HydrophobicContact CB-CB 4.2Å; A139-L194 HydrophobicContact CB-CD2 4.09Å; A139-L194 WeakPolarHBondContact CB-O 3.41Å; I190-L194 HydrophobicContact CG2-CD1 4.02Å; I190-L194 HydrophobicContact CG2-CG 4.39Å; I190-L194 WeakPolarHBondContact O-CB 3.42Å; I190-L194 WeakPolarHBondContact O-CG 3.27Å; I190-L194 PolarHBondContact O-N 3.39Å; S191-L194 PolarHBondContact O-N 3.25Å; F192-L194 PolarHBondContact O-N 3Å; L194-T197 WeakPolarHBondContact CA-OG1 3.37Å; L194-T197 PolarHBondContact O-OG1 2.84Å; L194-T197 VanDerWaalsContact O-OG1 3.09Å; L194-G198 WeakPolarHBondContact O-CA 3.19Å; L194-G198 PolarHBondContact O-N 3.44Å
195F97.9Very high94.9Very high2 Ų234 Ų341%0.00920%0.199CC..Hα-helixtrans-60.6-49-180-172.6-96.3000111.9V138 L141 T145 A175 F178 S191 F192 G198 I199V138-F195 HydrophobicContact CG1-CB 3.94Å; V138-F195 HydrophobicContact CG1-CD2 4.32Å; L141-F195 HydrophobicContact CB-CD2 4.45Å; L141-F195 HydrophobicContact CB-CE2 4.33Å; L141-F195 HydrophobicContact CD2-CE2 4.26Å; L141-F195 HydrophobicContact CG-CE2 4Å; T145-F195 HydrophobicContact CG2-CE2 4.33Å; T145-F195 HydrophobicContact CG2-CZ 3.97Å; A175-F195 HydrophobicContact CB-CE1 4.17Å; F178-F195 HydrophobicContact CB-CD1 4Å; F178-F195 HydrophobicContact CB-CE1 4.35Å; F178-F195 HydrophobicContact CB-CG 4.42Å; F178-F195 HydrophobicContact CD1-CB 3.7Å; F178-F195 HydrophobicContact CD1-CD1 4.16Å; F178-F195 HydrophobicContact CD1-CD2 4.12Å; F178-F195 AromaticContact CD1-CG 3.72Å; F178-F195 HydrophobicContact CD1-CG 3.72Å; F178-F195 HydrophobicContact CD2-CD1 4.24Å; F178-F195 HydrophobicContact CD2-CD2 4.08Å; F178-F195 HydrophobicContact CD2-CE1 4.24Å; F178-F195 HydrophobicContact CD2-CE2 4.07Å; F178-F195 HydrophobicContact CD2-CG 4.17Å; F178-F195 HydrophobicContact CD2-CZ 4.17Å; F178-F195 HydrophobicContact CE1-CB 3.86Å; F178-F195 AromaticContact CE1-CD2 3.9Å; F178-F195 HydrophobicContact CE1-CD2 3.9Å; F178-F195 AromaticContact CE1-CG 3.92Å; F178-F195 HydrophobicContact CE1-CG 3.92Å; F178-F195 AromaticContact CE2-CD2 3.87Å; F178-F195 HydrophobicContact CE2-CD2 3.87Å; F178-F195 AromaticContact CE2-CE2 3.9Å; F178-F195 HydrophobicContact CE2-CE2 3.9Å; F178-F195 HydrophobicContact CE2-CG 4.35Å; F178-F195 HydrophobicContact CE2-CZ 4.42Å; F178-F195 HydrophobicContact CG-CB 4.3Å; F178-F195 AromaticContact CG-CD1 3.88Å; F178-F195 HydrophobicContact CG-CD1 3.88Å; F178-F195 HydrophobicContact CG-CD2 4.19Å; F178-F195 HydrophobicContact CG-CE1 4.27Å; F178-F195 AromaticContact CG-CG 3.84Å; F178-F195 HydrophobicContact CG-CG 3.84Å; F178-F195 AromaticContact CZ-CD2 3.76Å; F178-F195 HydrophobicContact CZ-CD2 3.76Å; F178-F195 HydrophobicContact CZ-CE2 4.23Å; F178-F195 HydrophobicContact CZ-CG 4.22Å; S191-F195 WeakPolarHBondContact O-CB 3Å; S191-F195 PolarHBondContact O-N 3.36Å; F192-F195 WeakPolarHBondContact O-CB 3.44Å; F192-F195 PolarHBondContact O-N 3.49Å; F195-G198 PolarHBondContact O-N 3.42Å; F195-I199 HydrophobicContact CD1-CD1 3.92Å; F195-I199 HydrophobicContact CE1-CD1 3.4Å; F195-I199 HydrophobicContact CE1-CG1 4.32Å; F195-I199 HydrophobicContact CZ-CD1 4.01Å; F195-I199 PolarHBondContact O-N 3.29Å
196V96.9Very high94.8Very high60 Ų6031 Ų3136%0.36417%0.169SC..Hα-helixtrans-68.5-44.7-178.7175.60000111.8F192 S193 G198 I199 F200F192-V196 HydrophobicContact CD2-CG2 4.25Å; F192-V196 HydrophobicContact CE1-CG2 4.31Å; F192-V196 HydrophobicContact CE2-CG2 3.74Å; F192-V196 HydrophobicContact CZ-CG2 3.78Å; F192-V196 WeakPolarHBondContact O-CG2 3.43Å; F192-V196 PolarHBondContact O-N 2.67Å; S193-V196 PolarHBondContact O-N 3.4Å; V196-G198 VanDerWaalsContact C-N 3.28Å; V196-G198 PolarHBondContact O-N 3.32Å; V196-I199 WeakPolarHBondContact O-CB 3.39Å; V196-I199 PolarHBondContact O-N 3.3Å; V196-F200 PolarHBondContact O-N 2.74Å; V196-F200 VanDerWaalsContact O-N 3.09Å
197T96.8Very high94.6Very high32 Ų3226.2 Ų26.220%0.19615%0.147CC..Hα-helixtrans-62.9-37.6175.552.40000111.4V112 S193 L194 F200 I201V112-T197 HydrophobicContact CG2-CG2 4.03Å; S193-T197 WeakPolarHBondContact O-CB 3.45Å; S193-T197 VanDerWaalsContact O-CG2 3.26Å; S193-T197 WeakPolarHBondContact O-CG2 3.4Å; S193-T197 PolarHBondContact O-N 3.13Å; S193-T197 PolarHBondContact O-OG1 2.81Å; L194-T197 WeakPolarHBondContact CA-OG1 3.37Å; L194-T197 PolarHBondContact O-OG1 2.84Å; L194-T197 VanDerWaalsContact O-OG1 3.09Å; T197-F200 PolarHBondContact O-N 2.71Å; T197-I201 WeakPolarHBondContact O-CB 2.95Å; T197-I201 WeakPolarHBondContact O-CG1 3.25Å; T197-I201 PolarHBondContact O-N 2.65Å
198G98Very high94.4Very high0 Ų026.7 Ų26.70%015%0.147CC..Hα-helixtrans-58.3-45.2172.600000113.4S108 A139 L194 F195 V196 A202S108-G198 WeakPolarHBondContact OG-CA 3.43Å; A139-G198 WeakPolarHBondContact O-CA 3.35Å; L194-G198 WeakPolarHBondContact O-CA 3.19Å; L194-G198 PolarHBondContact O-N 3.44Å; F195-G198 PolarHBondContact O-N 3.42Å; V196-G198 VanDerWaalsContact C-N 3.28Å; V196-G198 PolarHBondContact O-N 3.32Å; G198-A202 WeakPolarHBondContact O-CB 3.45Å; G198-A202 PolarHBondContact O-N 2.71Å
199I97Very high94.1Very high11 Ų1126.4 Ų26.46%0.05614%0.139CC..Hα-helixtrans-58.6-48.9173.2-72.6172.4000110.6G142 V146 P171 A175 F195 V196 W203 F226 F229G142-I199 WeakPolarHBondContact O-CG1 3.47Å; V146-I199 HydrophobicContact CG2-CB 4.15Å; V146-I199 HydrophobicContact CG2-CG1 4.25Å; V146-I199 HydrophobicContact CG2-CG2 3.75Å; P171-I199 HydrophobicContact CB-CD1 4.45Å; P171-I199 HydrophobicContact CB-CG2 4.31Å; A175-I199 HydrophobicContact CB-CD1 4.01Å; F195-I199 HydrophobicContact CD1-CD1 3.92Å; F195-I199 HydrophobicContact CE1-CD1 3.4Å; F195-I199 HydrophobicContact CE1-CG1 4.32Å; F195-I199 HydrophobicContact CZ-CD1 4.01Å; F195-I199 PolarHBondContact O-N 3.29Å; V196-I199 WeakPolarHBondContact O-CB 3.39Å; V196-I199 PolarHBondContact O-N 3.3Å; I199-W203 WeakPolarHBondContact O-CB 3.46Å; I199-W203 PolarHBondContact O-N 3.18Å; I199-F226 HydrophobicContact CG2-CE2 4.31Å; I199-F229 HydrophobicContact CG2-CD2 4.41Å; I199-F229 HydrophobicContact CG2-CE2 4.04Å
200F94.3Very high93.9Very high68 Ų6825.5 Ų25.530%0.29813%0.127SC..Hα-helixtrans-65.3-45.9-175.8-175.6-101.6000112.4V196 T197 W203 T204 F226 A245 L249V196-F200 PolarHBondContact O-N 2.74Å; V196-F200 VanDerWaalsContact O-N 3.09Å; T197-F200 PolarHBondContact O-N 2.71Å; F200-W203 PolarHBondContact O-N 2.97Å; F200-T204 WeakPolarHBondContact O-CB 3.45Å; F200-T204 PolarHBondContact O-N 2.9Å; F200-T204 PolarHBondContact O-OG1 3.31Å; F200-F226 HydrophobicContact CD2-CE2 4.28Å; F200-A245 HydrophobicContact CZ-CB 4.33Å; F200-L249 HydrophobicContact CE1-CD1 4.33Å; F200-L249 HydrophobicContact CZ-CD1 4.19Å
201I95.4Very high93.4Very high28 Ų2834.2 Ų34.214%0.14416%0.158CC..Hα-helixtrans-68.2-42.9179.7-71.7165.4000110.7L103 V104 S108 T197 T204 Y205L103-I201 HydrophobicContact CD2-CG2 4.12Å; V104-I201 HydrophobicContact CG2-CG2 4.49Å; S108-I201 VanDerWaalsContact CA-CD1 3.45Å; S108-I201 VanDerWaalsContact OG-CD1 3.28Å; S108-I201 WeakPolarHBondContact OG-CD1 3.21Å; T197-I201 WeakPolarHBondContact O-CB 2.95Å; T197-I201 WeakPolarHBondContact O-CG1 3.25Å; T197-I201 PolarHBondContact O-N 2.65Å; I201-T204 PolarHBondContact O-N 3.4Å; I201-Y205 WeakPolarHBondContact O-CB 3.43Å; I201-Y205 PolarHBondContact O-N 3.07Å
202A96Very high92.7Very high0 Ų036.3 Ų36.30%017%0.167CC..Hα-helixtrans-62.7-43.9176.200000112F100 V104 V146 G198 Y205 L206F100-A202 HydrophobicContact CE2-CB 3.92Å; F100-A202 HydrophobicContact CZ-CB 3.85Å; V104-A202 HydrophobicContact CG1-CB 4.32Å; V104-A202 HydrophobicContact CG2-CB 3.86Å; V146-A202 HydrophobicContact CB-CB 4.32Å; V146-A202 HydrophobicContact CG2-CB 4.45Å; G198-A202 WeakPolarHBondContact O-CB 3.45Å; G198-A202 PolarHBondContact O-N 2.71Å; A202-Y205 PolarHBondContact O-N 3.45Å; A202-L206 WeakPolarHBondContact O-CB 3.29Å; A202-L206 VanDerWaalsContact O-CG 3.24Å; A202-L206 WeakPolarHBondContact O-CG 3.45Å; A202-L206 PolarHBondContact O-N 3.49Å
203W94.4Very high91.8Very high12 Ų1240.2 Ų40.25%0.04520%0.201CC..Hα-helixtrans-60.4-47.5174.6173.470000111.6V146 I199 F200 Y205 L206 R207 F208 F224 F226 F229V146-W203 HydrophobicContact CG1-CB 4Å; I199-W203 WeakPolarHBondContact O-CB 3.46Å; I199-W203 PolarHBondContact O-N 3.18Å; F200-W203 PolarHBondContact O-N 2.97Å; W203-Y205 VanDerWaalsContact C-N 3.31Å; W203-Y205 PolarHBondContact O-N 3.21Å; W203-L206 PolarHBondContact O-N 3.35Å; W203-R207 HydrophobicContact CZ2-CB 4.48Å; W203-R207 HydrophobicContact CZ2-CG 4.12Å; W203-R207 WeakPolarHBondContact O-CB 3.43Å; W203-R207 PolarHBondContact O-N 3.25Å; W203-F208 HydrophobicContact CH2-CE2 4.01Å; W203-F208 HydrophobicContact CH2-CZ 4.36Å; W203-F208 HydrophobicContact CZ2-CE2 4.42Å; W203-F208 HydrophobicContact CZ3-CE2 4.29Å; W203-F224 AromaticContact CD1-CE1 3.79Å; W203-F224 AromaticContact CD1-CZ 3.88Å; W203-F224 PolarHBondContact NE1-O 3.29Å; W203-F226 HydrophobicContact CB-CD2 4.33Å; W203-F226 HydrophobicContact CD2-CB 3.9Å; W203-F226 AromaticContact CD2-CD2 3.73Å; W203-F226 HydrophobicContact CD2-CD2 3.73Å; W203-F226 HydrophobicContact CD2-CG 4.27Å; W203-F226 HydrophobicContact CE3-CB 4.19Å; W203-F226 AromaticContact CE3-CD2 3.87Å; W203-F226 HydrophobicContact CE3-CD2 3.87Å; W203-F226 HydrophobicContact CE3-CG 4.36Å; W203-F226 AromaticContact CG-CD2 3.92Å; W203-F226 HydrophobicContact CG-CD2 3.92Å; W203-F226 HydrophobicContact CH2-CB 3.92Å; W203-F226 HydrophobicContact CZ2-CB 3.62Å; W203-F226 HydrophobicContact CZ3-CB 4.2Å; W203-F229 HydrophobicContact CB-CE2 4.18Å; W203-F229 HydrophobicContact CB-CZ 3.91Å; W203-F229 AromaticContact CD1-CE1 3.83Å; W203-F229 AromaticContact CD1-CZ 3.32Å; W203-F229 HydrophobicContact CG-CE2 4.24Å; W203-F229 AromaticContact CG-CZ 3.71Å; W203-F229 HydrophobicContact CG-CZ 3.71Å
204T90.8Very high91Very high13 Ų1343.5 Ų43.58%0.0822%0.215CC..Hα-helixtrans-59.2-44.3178.4-56.80000111.1F200 I201 F208 F209 L249F200-T204 WeakPolarHBondContact O-CB 3.45Å; F200-T204 PolarHBondContact O-N 2.9Å; F200-T204 PolarHBondContact O-OG1 3.31Å; I201-T204 PolarHBondContact O-N 3.4Å; T204-F208 HydrophobicContact CG2-CD2 4.09Å; T204-F208 WeakPolarHBondContact O-CB 3.42Å; T204-F208 WeakPolarHBondContact O-CD2 3.44Å; T204-F208 PolarHBondContact O-N 3.01Å; T204-F209 HydrophobicContact CG2-CE2 4.09Å; T204-L249 HydrophobicContact CG2-CD1 4.12Å
205Y91.9Very high90.2Very high32 Ų3246.6 Ų46.613%0.12525%0.249CC..Hα-helixtrans-62.1-51.9176.4173.6-97.5000112.4F100 L103 I201 A202 W203 R207 F208 F209 Q210F100-Y205 HydrophobicContact CB-CE1 4.27Å; F100-Y205 AromaticContact CD2-CD1 3.47Å; F100-Y205 HydrophobicContact CD2-CD1 3.47Å; F100-Y205 VanDerWaalsContact CD2-CD1 3.47Å; F100-Y205 AromaticContact CD2-CE1 3.59Å; F100-Y205 HydrophobicContact CD2-CE1 3.59Å; F100-Y205 HydrophobicContact CD2-CG 4.48Å; F100-Y205 AromaticContact CE2-CD1 3.95Å; F100-Y205 HydrophobicContact CE2-CD1 3.95Å; F100-Y205 HydrophobicContact CE2-CE1 4.45Å; F100-Y205 HydrophobicContact CG-CE1 4.42Å; L103-Y205 HydrophobicContact CD1-CD2 3.52Å; L103-Y205 HydrophobicContact CD1-CE2 3.74Å; L103-Y205 HydrophobicContact CD1-CG 4.5Å; L103-Y205 HydrophobicContact CD2-CD2 3.64Å; L103-Y205 HydrophobicContact CD2-CE2 4.45Å; L103-Y205 HydrophobicContact CD2-CG 3.82Å; L103-Y205 HydrophobicContact CG-CD2 4.18Å; I201-Y205 WeakPolarHBondContact O-CB 3.43Å; I201-Y205 PolarHBondContact O-N 3.07Å; A202-Y205 PolarHBondContact O-N 3.45Å; W203-Y205 VanDerWaalsContact C-N 3.31Å; W203-Y205 PolarHBondContact O-N 3.21Å; Y205-R207 VanDerWaalsContact C-N 3.33Å; Y205-R207 PolarHBondContact O-N 2.88Å; Y205-F208 PolarHBondContact O-N 3.03Å; Y205-F209 HydrophobicContact CD2-CB 3.69Å; Y205-F209 HydrophobicContact CE2-CB 4.08Å; Y205-F209 HydrophobicContact CG-CB 4.48Å; Y205-F209 CarbonylContact O-C 3.5Å; Y205-F209 WeakPolarHBondContact O-CA 3.44Å; Y205-F209 PolarHBondContact O-N 2.98Å; Y205-Q210 HydrophobicContact CE1-CB 4.26Å; Y205-Q210 PolarHBondContact O-N 3.04Å
206L91.4Very high89.4Confident2 Ų250.8 Ų50.81%0.0127%0.27CS..Hα-helixtrans-65.5-38.2-177.4-66.3170.7000111.6F100 V146 L147 A202 W203 Q210 G218 D219 F224F100-L206 HydrophobicContact CD2-CD2 4.26Å; F100-L206 HydrophobicContact CE2-CD1 4.1Å; F100-L206 HydrophobicContact CE2-CD2 4.02Å; F100-L206 HydrophobicContact CE2-CG 3.97Å; F100-L206 HydrophobicContact CZ-CD1 4.39Å; V146-L206 HydrophobicContact CG1-CD1 3.94Å; L147-L206 HydrophobicContact CB-CD1 4.34Å; L147-L206 HydrophobicContact CD1-CD1 4.15Å; L147-L206 HydrophobicContact CD1-CD2 4.18Å; A202-L206 WeakPolarHBondContact O-CB 3.29Å; A202-L206 VanDerWaalsContact O-CG 3.24Å; A202-L206 WeakPolarHBondContact O-CG 3.45Å; A202-L206 PolarHBondContact O-N 3.49Å; W203-L206 PolarHBondContact O-N 3.35Å; L206-Q210 HydrophobicContact CD2-CG 4.48Å; L206-Q210 VanDerWaalsContact CD2-OE1 3.27Å; L206-Q210 PolarHBondContact O-OE1 2.89Å; L206-G218 CarbonylContact O-C 3.56Å; L206-G218 WeakPolarHBondContact O-CA 3.47Å; L206-D219 PolarHBondContact O-N 2.99Å; L206-F224 HydrophobicContact CB-CE1 3.86Å; L206-F224 HydrophobicContact CB-CZ 3.94Å; L206-F224 HydrophobicContact CD1-CZ 4.32Å
207R87.6Confident88.7Confident37 Ų3751 Ų5114%0.1427%0.269CS..Hα-helixtrans-72.2-35.2-180-174.870.6-172.8161.9-9.7113.2W203 Y205 G218 D219 D221 F224W203-R207 HydrophobicContact CZ2-CB 4.48Å; W203-R207 HydrophobicContact CZ2-CG 4.12Å; W203-R207 WeakPolarHBondContact O-CB 3.43Å; W203-R207 PolarHBondContact O-N 3.25Å; Y205-R207 VanDerWaalsContact C-N 3.33Å; Y205-R207 PolarHBondContact O-N 2.88Å; R207-G218 VanDerWaalsContact O-CA 3.27Å; R207-G218 WeakPolarHBondContact O-CA 3.42Å; R207-D219 WeakPolarHBondContact CD-O 3.22Å; R207-D219 VanDerWaalsContact CZ-O 3.27Å; R207-D219 PolarHBondContact NE-O 3.33Å; R207-D219 PolarHBondContact NH1-O 2.95Å; R207-D219 IonicContact NH1-OD1 3.84Å; R207-D219 PolarHBondContact O-N 2.88Å; R207-D221 PolarHBondContact NH1-O 2.98Å; R207-D221 PolarHBondContact NH2-O 3.11Å; R207-F224 HydrophobicContact CB-CD1 4.29Å; R207-F224 HydrophobicContact CB-CE1 4.11Å; R207-F224 WeakPolarHBondContact CD-O 3.4Å
208F86.6Confident88.2Confident30 Ų3049.6 Ų49.613%0.13226%0.261CS..Hα-helixtrans-127-18.7-167.6-56.5-65.9000116.4W203 T204 Y205 L217 F246W203-F208 HydrophobicContact CH2-CE2 4.01Å; W203-F208 HydrophobicContact CH2-CZ 4.36Å; W203-F208 HydrophobicContact CZ2-CE2 4.42Å; W203-F208 HydrophobicContact CZ3-CE2 4.29Å; T204-F208 HydrophobicContact CG2-CD2 4.09Å; T204-F208 WeakPolarHBondContact O-CB 3.42Å; T204-F208 WeakPolarHBondContact O-CD2 3.44Å; T204-F208 PolarHBondContact O-N 3.01Å; Y205-F208 PolarHBondContact O-N 3.03Å; F208-L217 WeakPolarHBondContact O-CD2 3.21Å; F208-L217 VanDerWaalsContact O-CG 3.23Å; F208-L217 WeakPolarHBondContact O-CG 3.42Å; F208-F246 AromaticContact CD1-CE2 3.58Å; F208-F246 HydrophobicContact CD1-CE2 3.58Å; F208-F246 AromaticContact CD1-CZ 3.92Å; F208-F246 HydrophobicContact CD1-CZ 3.92Å; F208-F246 HydrophobicContact CD2-CD2 4.03Å; F208-F246 AromaticContact CD2-CE2 3.72Å; F208-F246 HydrophobicContact CD2-CE2 3.72Å; F208-F246 AromaticContact CE1-CD2 3.87Å; F208-F246 HydrophobicContact CE1-CD2 3.87Å; F208-F246 HydrophobicContact CE1-CE1 4.23Å; F208-F246 AromaticContact CE1-CE2 3.14Å; F208-F246 HydrophobicContact CE1-CE2 3.14Å; F208-F246 AromaticContact CE1-CZ 3.35Å; F208-F246 HydrophobicContact CE1-CZ 3.35Å; F208-F246 AromaticContact CE2-CD2 3.28Å; F208-F246 HydrophobicContact CE2-CD2 3.28Å; F208-F246 AromaticContact CE2-CE2 3.3Å; F208-F246 HydrophobicContact CE2-CE2 3.3Å; F208-F246 HydrophobicContact CE2-CG 4.31Å; F208-F246 HydrophobicContact CE2-CZ 4.32Å; F208-F246 AromaticContact CG-CE2 3.85Å; F208-F246 HydrophobicContact CG-CE2 3.85Å; F208-F246 HydrophobicContact CZ-CD1 4.44Å; F208-F246 AromaticContact CZ-CD2 3.19Å; F208-F246 HydrophobicContact CZ-CD2 3.19Å; F208-F246 HydrophobicContact CZ-CE1 4.28Å; F208-F246 AromaticContact CZ-CE2 2.99Å; F208-F246 HydrophobicContact CZ-CE2 2.99Å; F208-F246 AromaticContact CZ-CG 3.93Å; F208-F246 HydrophobicContact CZ-CG 3.93Å; F208-F246 AromaticContact CZ-CZ 3.59Å; F208-F246 HydrophobicContact CZ-CZ 3.59Å
209F87.4Confident87.4Confident71 Ų7150.6 Ų50.631%0.31127%0.266SS..THydrogen-bonded Turntrans-122.9-16.7-172-64.4-82.6000114.2T204 Y205 R211 L217 I254 C255T204-F209 HydrophobicContact CG2-CE2 4.09Å; Y205-F209 HydrophobicContact CD2-CB 3.69Å; Y205-F209 HydrophobicContact CE2-CB 4.08Å; Y205-F209 HydrophobicContact CG-CB 4.48Å; Y205-F209 CarbonylContact O-C 3.5Å; Y205-F209 WeakPolarHBondContact O-CA 3.44Å; Y205-F209 PolarHBondContact O-N 2.98Å; F209-R211 PolarHBondContact O-N 3.28Å; F209-R211 VanDerWaalsContact O-N 3.17Å; F209-L217 WeakPolarHBondContact O-CD1 3.41Å; F209-I254 WeakPolarHBondContact CE1-O 3.38Å; F209-I254 HydrophobicContact CZ-CG2 4.28Å; F209-I254 WeakPolarHBondContact CZ-O 3.42Å; F209-C255 HydrophobicContact CZ-CB 4.48Å
210Q87.7Confident86.6Confident10 Ų1052.3 Ų52.35%0.04728%0.277CS..PPolyproline II helixtrans-61.7118.4179.2180175.821.300110.4Y92 Q150 Y205 L206 G218Y92-Q210 PolarHBondContact OH-NE2 3.38Å; Q150-Q210 VanDerWaalsContact NE2-OE1 3.09Å; Y205-Q210 HydrophobicContact CE1-CB 4.26Å; Y205-Q210 PolarHBondContact O-N 3.04Å; L206-Q210 HydrophobicContact CD2-CG 4.48Å; L206-Q210 VanDerWaalsContact CD2-OE1 3.27Å; L206-Q210 PolarHBondContact O-OE1 2.89Å; Q210-G218 WeakPolarHBondContact O-CA 3.33Å; Q210-G218 PolarHBondContact O-N 2.92Å
211R84Confident86Confident204 Ų20453.3 Ų53.377%0.7729%0.286SS*.BIsolated β-bridgetrans-85124.1175.9-68.1-177.1179.1135.6-0.3109.7F209 L217F209-R211 PolarHBondContact O-N 3.28Å; F209-R211 VanDerWaalsContact O-N 3.17Å; R211-L217 HydrophobicContact CG-CD1 3.91Å
212H81.7Confident85.2Confident53 Ų5357.7 Ų57.725%0.24531%0.31CS..PPolyproline II helixtrans-94.9153.6171.2-65.795000110.2N214 G215 L216 G218H212-N214 WeakPolarHBondContact CB-OD1 3.27Å; H212-N214 PolarHBondContact O-N 3.45Å; H212-G215 PolarHBondContact O-N 2.71Å; H212-G215 VanDerWaalsContact O-N 3.09Å; H212-L216 HydrophobicContact CB-CB 4.5Å; H212-L216 PolarHBondContact N-O 2.97Å; H212-G218 PolarHBondContact CE1-O 3.38Å; H212-G218 PolarHBondContact ND1-O 3.13Å
213S77.9Confident84.6Confident137 Ų13761.2 Ų61.296%0.95833%0.334SS*.THydrogen-bonded Turntrans-63.3-21.4179.250.90000113.6G215S213-G215 PolarHBondContact O-N 2.86Å
214N80.2Confident84.2Confident108 Ų10860.9 Ų60.958%0.57833%0.333SS*.THydrogen-bonded Turntrans-79.53.7175.362.55000113.7H212 L216H212-N214 WeakPolarHBondContact CB-OD1 3.27Å; H212-N214 PolarHBondContact O-N 3.45Å; N214-L216 VanDerWaalsContact C-N 3.26Å; N214-L216 WeakPolarHBondContact ND2-CD1 3.36Å; N214-L216 PolarHBondContact O-N 3.45Å; N214-L216 VanDerWaalsContact OD1-CB 3.29Å; N214-L216 WeakPolarHBondContact OD1-CB 3.42Å; N214-L216 PolarHBondContact OD1-N 2.95Å
215G79.5Confident84.1Confident69 Ų6962.8 Ų62.871%0.71134%0.344SS*.SBendtrans81.7-4-178.100000114.6H212 S213H212-G215 PolarHBondContact O-N 2.71Å; H212-G215 VanDerWaalsContact O-N 3.09Å; S213-G215 PolarHBondContact O-N 2.86Å
216L80.8Confident83.8Confident89 Ų8963 Ų6347%0.46635%0.346SS..  trans-71.6141.2173.9-62.7-179.5000110.8H212 N214H212-L216 HydrophobicContact CB-CB 4.5Å; H212-L216 PolarHBondContact N-O 2.97Å; N214-L216 VanDerWaalsContact C-N 3.26Å; N214-L216 WeakPolarHBondContact ND2-CD1 3.36Å; N214-L216 PolarHBondContact O-N 3.45Å; N214-L216 VanDerWaalsContact OD1-CB 3.29Å; N214-L216 WeakPolarHBondContact OD1-CB 3.42Å; N214-L216 PolarHBondContact OD1-N 2.95Å
217L83.9Confident83.6Confident66 Ų6663.3 Ų63.335%0.34635%0.349SS..BIsolated β-bridgetrans-105.9120.6177.1-17271.5000109.6F208 F209 R211F208-L217 WeakPolarHBondContact O-CD2 3.21Å; F208-L217 VanDerWaalsContact O-CG 3.23Å; F208-L217 WeakPolarHBondContact O-CG 3.42Å; F209-L217 WeakPolarHBondContact O-CD1 3.41Å; R211-L217 HydrophobicContact CG-CD1 3.91Å
218G85.1Confident83.6Confident2 Ų262.4 Ų62.42%0.02135%0.351CS..SBendtrans73.4172-176.900000113.2L206 R207 Q210 H212L206-G218 CarbonylContact O-C 3.56Å; L206-G218 WeakPolarHBondContact O-CA 3.47Å; R207-G218 VanDerWaalsContact O-CA 3.27Å; R207-G218 WeakPolarHBondContact O-CA 3.42Å; Q210-G218 WeakPolarHBondContact O-CA 3.33Å; Q210-G218 PolarHBondContact O-N 2.92Å; H212-G218 PolarHBondContact CE1-O 3.38Å; H212-G218 PolarHBondContact ND1-O 3.13Å
219D82.5Confident83.7Confident20 Ų2061 Ų6111%0.10735%0.345CS..  trans-81.1120.2164.5-172.9-32.1000108.2Q150 L206 R207 D221 F224Q150-D219 PolarHBondContact NE2-OD2 2.99Å; Q150-D219 VanDerWaalsContact NE2-OD2 3.11Å; L206-D219 PolarHBondContact O-N 2.99Å; R207-D219 WeakPolarHBondContact CD-O 3.22Å; R207-D219 VanDerWaalsContact CZ-O 3.27Å; R207-D219 PolarHBondContact NE-O 3.33Å; R207-D219 PolarHBondContact NH1-O 2.95Å; R207-D219 IonicContact NH1-OD1 3.84Å; R207-D219 PolarHBondContact O-N 2.88Å; D219-D221 VanDerWaalsContact OD1-CB 3.29Å; D219-D221 WeakPolarHBondContact OD1-CB 3.17Å; D219-D221 PolarHBondContact OD1-N 3.39Å; D219-F224 HydrophobicContact CB-CD1 3.66Å; D219-F224 HydrophobicContact CB-CE1 4.21Å; D219-F224 HydrophobicContact CB-CG 4.28Å; D219-F224 WeakPolarHBondContact OD2-CG 3.3Å
220V79.3Confident83.7Confident47 Ų4759.6 Ų59.629%0.28534%0.339SS..  trans-101.66.1-178.2-66.60000113.1R261V220-R261 PolarHBondContact O-NH2 2.74Å
221D82.1Confident83.6Confident89 Ų8961.1 Ų61.148%0.47635%0.349SS..  trans-72.4136.5-175.1-67.1-15.2000111.4R207 D219 S223 F224R207-D221 PolarHBondContact NH1-O 2.98Å; R207-D221 PolarHBondContact NH2-O 3.11Å; D219-D221 VanDerWaalsContact OD1-CB 3.29Å; D219-D221 WeakPolarHBondContact OD1-CB 3.17Å; D219-D221 PolarHBondContact OD1-N 3.39Å; D221-S223 PolarHBondContact O-N 3.41Å; D221-S223 VanDerWaalsContact O-N 3.15Å; D221-F224 PolarHBondContact O-N 3.44Å
222D79.2Confident83.6Confident121 Ų12157.3 Ų57.365%0.64734%0.344SS*.THydrogen-bonded Turntrans-67.1-17.2179.4-61.2-40.8000112.2F224 T225D222-F224 VanDerWaalsContact C-N 3.34Å; D222-T225 WeakPolarHBondContact O-CG2 3.49Å
223S82.6Confident83.6Confident73 Ų7363 Ų6351%0.5137%0.37SS..THydrogen-bonded Turntrans-73.1-24172.969.90000112.8R149 D221 T225R149-S223 PolarHBondContact NH2-O 2.82Å; D221-S223 PolarHBondContact O-N 3.41Å; D221-S223 VanDerWaalsContact O-N 3.15Å; S223-T225 VanDerWaalsContact C-N 3.33Å; S223-T225 PolarHBondContact O-N 3.38Å
224F86.3Confident83.8Confident5 Ų560.3 Ų60.32%0.02235%0.345CS..  trans-95.241.1-176.5-165.7-111.3000113.4V146 R149 Q150 W203 L206 R207 D219 D221 D222V146-F224 HydrophobicContact CG1-CE2 4.24Å; V146-F224 HydrophobicContact CG1-CZ 3.87Å; R149-F224 HydrophobicContact CG-CE2 4.34Å; Q150-F224 HydrophobicContact CB-CD2 4.4Å; Q150-F224 HydrophobicContact CB-CE2 3.86Å; Q150-F224 HydrophobicContact CB-CZ 4.35Å; Q150-F224 HydrophobicContact CG-CD2 4.35Å; Q150-F224 HydrophobicContact CG-CE2 4.11Å; Q150-F224 HydrophobicContact CG-CZ 4.41Å; W203-F224 AromaticContact CD1-CE1 3.79Å; W203-F224 AromaticContact CD1-CZ 3.88Å; W203-F224 PolarHBondContact NE1-O 3.29Å; L206-F224 HydrophobicContact CB-CE1 3.86Å; L206-F224 HydrophobicContact CB-CZ 3.94Å; L206-F224 HydrophobicContact CD1-CZ 4.32Å; R207-F224 HydrophobicContact CB-CD1 4.29Å; R207-F224 HydrophobicContact CB-CE1 4.11Å; R207-F224 WeakPolarHBondContact CD-O 3.4Å; D219-F224 HydrophobicContact CB-CD1 3.66Å; D219-F224 HydrophobicContact CB-CE1 4.21Å; D219-F224 HydrophobicContact CB-CG 4.28Å; D219-F224 WeakPolarHBondContact OD2-CG 3.3Å; D221-F224 PolarHBondContact O-N 3.44Å; D222-F224 VanDerWaalsContact C-N 3.34Å
225T87.7Confident83.9Confident53 Ų5355.8 Ų55.833%0.32532%0.324SS..  trans-85149.9172.655.10000111.5R149 D222 S223 A227 G228 F229R149-T225 PolarHBondContact NH2-O 2.79Å; D222-T225 WeakPolarHBondContact O-CG2 3.49Å; S223-T225 VanDerWaalsContact C-N 3.33Å; S223-T225 PolarHBondContact O-N 3.38Å; T225-A227 VanDerWaalsContact C-N 3.29Å; T225-A227 PolarHBondContact O-N 2.71Å; T225-G228 PolarHBondContact O-N 3.36Å; T225-G228 PolarHBondContact OG1-N 2.72Å; T225-F229 WeakPolarHBondContact O-CD1 3.43Å
226F86.5Confident84.2Confident37 Ų3756.7 Ų56.716%0.16232%0.318CS..SBendtrans-59.9-40.9175-169.9-99.2000111.6I199 F200 W203 G228 F229 F230 V238I199-F226 HydrophobicContact CG2-CE2 4.31Å; F200-F226 HydrophobicContact CD2-CE2 4.28Å; W203-F226 HydrophobicContact CB-CD2 4.33Å; W203-F226 HydrophobicContact CD2-CB 3.9Å; W203-F226 AromaticContact CD2-CD2 3.73Å; W203-F226 HydrophobicContact CD2-CD2 3.73Å; W203-F226 HydrophobicContact CD2-CG 4.27Å; W203-F226 HydrophobicContact CE3-CB 4.19Å; W203-F226 AromaticContact CE3-CD2 3.87Å; W203-F226 HydrophobicContact CE3-CD2 3.87Å; W203-F226 HydrophobicContact CE3-CG 4.36Å; W203-F226 AromaticContact CG-CD2 3.92Å; W203-F226 HydrophobicContact CG-CD2 3.92Å; W203-F226 HydrophobicContact CH2-CB 3.92Å; W203-F226 HydrophobicContact CZ2-CB 3.62Å; W203-F226 HydrophobicContact CZ3-CB 4.2Å; F226-G228 PolarHBondContact O-N 2.97Å; F226-F229 AromaticContact CD2-CD2 3.88Å; F226-F229 HydrophobicContact CD2-CD2 3.88Å; F226-F229 AromaticContact CD2-CE2 3.6Å; F226-F229 HydrophobicContact CD2-CE2 3.6Å; F226-F229 HydrophobicContact CD2-CZ 4.2Å; F226-F229 AromaticContact CE2-CD2 3.96Å; F226-F229 HydrophobicContact CE2-CD2 3.96Å; F226-F229 AromaticContact CE2-CE2 3.81Å; F226-F229 HydrophobicContact CE2-CE2 3.81Å; F226-F229 HydrophobicContact CG-CD2 4.48Å; F226-F229 HydrophobicContact CG-CE2 4.49Å; F226-F229 WeakPolarHBondContact O-CB 3.48Å; F226-F229 WeakPolarHBondContact O-CD1 3.48Å; F226-F229 WeakPolarHBondContact O-CG 3.2Å; F226-F229 PolarHBondContact O-N 2.83Å; F226-F230 HydrophobicContact CD1-CE2 4.17Å; F226-F230 AromaticContact CE1-CE2 3.82Å; F226-F230 HydrophobicContact CE1-CE2 3.82Å; F226-F230 HydrophobicContact CE1-CZ 4.29Å; F226-F230 HydrophobicContact CZ-CE2 4.46Å; F226-V238 HydrophobicContact CD1-CG1 3.69Å; F226-V238 HydrophobicContact CE1-CG1 4.04Å
227A87.4Confident84.3Confident9 Ų956.2 Ų56.27%0.07432%0.32CS..G310 helixtrans-57.4-33.4174.500000112.7T225 F229 F230 V238T225-A227 VanDerWaalsContact C-N 3.29Å; T225-A227 PolarHBondContact O-N 2.71Å; A227-F229 PolarHBondContact O-N 3.31Å; A227-F229 VanDerWaalsContact O-N 3.08Å; A227-F230 PolarHBondContact O-N 3.42Å; A227-F230 VanDerWaalsContact O-N 3.11Å; A227-V238 HydrophobicContact CB-CB 4.4Å; A227-V238 HydrophobicContact CB-CG1 4.25Å
228G87.2Confident84.3Confident17 Ų1754.2 Ų54.218%0.17531%0.31CS..G310 helixtrans-63.7-12.5176.900000114R149 T225 F226R149-G228 PolarHBondContact NH1-O 3.22Å; R149-G228 PolarHBondContact NH2-O 3.47Å; T225-G228 PolarHBondContact O-N 3.36Å; T225-G228 PolarHBondContact OG1-N 2.72Å; F226-G228 PolarHBondContact O-N 2.97Å
229F89Confident84.3Confident2 Ų256.7 Ų56.71%0.00933%0.327CS..G310 helixtrans-68.5-30.3176.6-6410.6000110.1V146 R149 H169 P171 F172 I199 W203 T225 F226 A227V146-F229 HydrophobicContact CG1-CE2 4.46Å; V146-F229 HydrophobicContact CG1-CZ 3.86Å; V146-F229 HydrophobicContact CG2-CE2 4.08Å; V146-F229 HydrophobicContact CG2-CZ 4.28Å; R149-F229 VanDerWaalsContact CD-CD1 3.48Å; R149-F229 VanDerWaalsContact NE-CD1 3.35Å; R149-F229 VanDerWaalsContact NH1-N 3.2Å; H169-F229 WeakPolarHBondContact CA-O 3.38Å; H169-F229 PolarHBondContact ND1-O 3.01Å; P171-F229 HydrophobicContact CB-CD2 3.65Å; P171-F229 HydrophobicContact CB-CE2 4.01Å; P171-F229 HydrophobicContact CB-CG 4.16Å; P171-F229 HydrophobicContact CG-CD2 4.09Å; P171-F229 HydrophobicContact CG-CE2 4.23Å; P171-F229 HydrophobicContact CG-CG 4.28Å; F172-F229 VanDerWaalsContact CB-O 3.24Å; F172-F229 WeakPolarHBondContact CB-O 3.44Å; I199-F229 HydrophobicContact CG2-CD2 4.41Å; I199-F229 HydrophobicContact CG2-CE2 4.04Å; W203-F229 HydrophobicContact CB-CE2 4.18Å; W203-F229 HydrophobicContact CB-CZ 3.91Å; W203-F229 AromaticContact CD1-CE1 3.83Å; W203-F229 AromaticContact CD1-CZ 3.32Å; W203-F229 HydrophobicContact CG-CE2 4.24Å; W203-F229 AromaticContact CG-CZ 3.71Å; W203-F229 HydrophobicContact CG-CZ 3.71Å; T225-F229 WeakPolarHBondContact O-CD1 3.43Å; F226-F229 AromaticContact CD2-CD2 3.88Å; F226-F229 HydrophobicContact CD2-CD2 3.88Å; F226-F229 AromaticContact CD2-CE2 3.6Å; F226-F229 HydrophobicContact CD2-CE2 3.6Å; F226-F229 HydrophobicContact CD2-CZ 4.2Å; F226-F229 AromaticContact CE2-CD2 3.96Å; F226-F229 HydrophobicContact CE2-CD2 3.96Å; F226-F229 AromaticContact CE2-CE2 3.81Å; F226-F229 HydrophobicContact CE2-CE2 3.81Å; F226-F229 HydrophobicContact CG-CD2 4.48Å; F226-F229 HydrophobicContact CG-CE2 4.49Å; F226-F229 WeakPolarHBondContact O-CB 3.48Å; F226-F229 WeakPolarHBondContact O-CD1 3.48Å; F226-F229 WeakPolarHBondContact O-CG 3.2Å; F226-F229 PolarHBondContact O-N 2.83Å; A227-F229 PolarHBondContact O-N 3.31Å; A227-F229 VanDerWaalsContact O-N 3.08Å
230F87.8Confident84.2Confident40 Ų4060.7 Ų60.718%0.17535%0.352CS..SBendtrans-88.7154.8-173.7-64.7-102.5000111.1H169 F172 F226 A227 L234 V238H169-F230 PolarHBondContact CE1-O 3.41Å; H169-F230 PolarHBondContact ND1-O 2.88Å; F172-F230 AromaticContact CD2-CD1 3.32Å; F172-F230 HydrophobicContact CD2-CD1 3.32Å; F172-F230 AromaticContact CD2-CE1 3.34Å; F172-F230 HydrophobicContact CD2-CE1 3.34Å; F172-F230 HydrophobicContact CD2-CG 4.08Å; F172-F230 HydrophobicContact CD2-CZ 4.08Å; F172-F230 AromaticContact CE2-CD1 3.43Å; F172-F230 HydrophobicContact CE2-CD1 3.43Å; F172-F230 VanDerWaalsContact CE2-CD1 3.43Å; F172-F230 AromaticContact CE2-CE1 3.5Å; F172-F230 HydrophobicContact CE2-CE1 3.5Å; F172-F230 VanDerWaalsContact CE2-CE1 3.5Å; F172-F230 HydrophobicContact CG-CD1 4.14Å; F172-F230 HydrophobicContact CG-CE1 4.45Å; F172-F230 HydrophobicContact CZ-CD1 4.32Å; F226-F230 HydrophobicContact CD1-CE2 4.17Å; F226-F230 AromaticContact CE1-CE2 3.82Å; F226-F230 HydrophobicContact CE1-CE2 3.82Å; F226-F230 HydrophobicContact CE1-CZ 4.29Å; F226-F230 HydrophobicContact CZ-CE2 4.46Å; A227-F230 PolarHBondContact O-N 3.42Å; A227-F230 VanDerWaalsContact O-N 3.11Å; F230-L234 HydrophobicContact CB-CB 3.85Å; F230-L234 HydrophobicContact CD1-CB 4.16Å; F230-L234 HydrophobicContact CD1-CD1 4.26Å; F230-L234 HydrophobicContact CG-CB 4.4Å; F230-V238 HydrophobicContact CD1-CG2 3.91Å; F230-V238 HydrophobicContact CD2-CB 4.15Å; F230-V238 HydrophobicContact CD2-CG1 3.68Å; F230-V238 HydrophobicContact CD2-CG2 3.94Å; F230-V238 HydrophobicContact CE1-CG2 3.94Å; F230-V238 HydrophobicContact CE2-CB 4.33Å; F230-V238 HydrophobicContact CE2-CG1 3.53Å; F230-V238 HydrophobicContact CE2-CG2 4.02Å; F230-V238 HydrophobicContact CG-CB 4.48Å; F230-V238 HydrophobicContact CG-CG1 4.46Å; F230-V238 HydrophobicContact CG-CG2 3.9Å; F230-V238 HydrophobicContact CZ-CG1 4.16Å; F230-V238 HydrophobicContact CZ-CG2 4.01Å
231P85.3Confident84.4Confident42 Ų4263.3 Ų63.327%0.27337%0.368SS..  trans-53.5154.5167.2-23.433.3000111.3F172 H233 L234 G235F172-P231 HydrophobicContact CD1-CG 4.26Å; F172-P231 HydrophobicContact CE1-CG 3.96Å; P231-H233 PolarHBondContact O-N 3.32Å; P231-L234 PolarHBondContact O-N 2.86Å; P231-G235 PolarHBondContact O-N 3.23Å
232N83.1Confident84.3Confident124 Ų12459.7 Ų59.766%0.66335%0.35SS*.THydrogen-bonded Turntrans-53.5-31.9-173.7-64.7-14.3000113.6L234 G235N232-L234 VanDerWaalsContact C-N 3.34Å; N232-L234 PolarHBondContact O-N 2.83Å; N232-G235 PolarHBondContact O-N 3.37Å
233H81.9Confident84.4Confident172 Ų17256.6 Ų56.680%0.79634%0.337SS*.THydrogen-bonded Turntrans-68.1-30.8178.7-46.5-61.1000113.7P231P231-H233 PolarHBondContact O-N 3.32Å
234L82.8Confident84.2Confident81 Ų8155.5 Ų55.542%0.42433%0.333SS..THydrogen-bonded Turntrans-97-5-178.8-68.8176.2000112.5F172 F230 P231 N232 P237 V238F172-L234 HydrophobicContact CE2-CD1 4.4Å; F172-L234 HydrophobicContact CZ-CD1 4.03Å; F230-L234 HydrophobicContact CB-CB 3.85Å; F230-L234 HydrophobicContact CD1-CB 4.16Å; F230-L234 HydrophobicContact CD1-CD1 4.26Å; F230-L234 HydrophobicContact CG-CB 4.4Å; P231-L234 PolarHBondContact O-N 2.86Å; N232-L234 VanDerWaalsContact C-N 3.34Å; N232-L234 PolarHBondContact O-N 2.83Å; L234-P237 WeakPolarHBondContact O-CD 3.19Å; L234-V238 WeakPolarHBondContact O-CB 3.43Å; L234-V238 WeakPolarHBondContact O-CG2 3.24Å; L234-V238 PolarHBondContact O-N 3.08Å
235G82.3Confident83.9Confident14 Ų1456.9 Ų56.914%0.14435%0.345CS..Hα-helixtrans-58.3-55-179.200000113.8P231 N232 V238 S239P231-G235 PolarHBondContact O-N 3.23Å; N232-G235 PolarHBondContact O-N 3.37Å; G235-V238 PolarHBondContact O-N 3.11Å; G235-S239 WeakPolarHBondContact O-CB 3.46Å; G235-S239 PolarHBondContact O-N 3.42Å
236P84.7Confident83.4Confident88 Ų8855.6 Ų55.657%0.57134%0.335SS*.Hα-helixtrans-61.3-47.5-174.1-20.530000114.5V238 S239 V240P236-V238 VanDerWaalsContact C-N 3.32Å; P236-V238 PolarHBondContact O-N 3.31Å; P236-S239 WeakPolarHBondContact O-CB 3.19Å; P236-S239 PolarHBondContact O-N 3.23Å; P236-V240 PolarHBondContact O-N 3.15Å
237P83.8Confident83Confident79 Ų7958.1 Ų58.151%0.51335%0.35SS..Hα-helixtrans-60-41.9177.1-24.234.4000112.7L234 S239 V240 V241L234-P237 WeakPolarHBondContact O-CD 3.19Å; P237-S239 VanDerWaalsContact C-N 3.32Å; P237-S239 PolarHBondContact O-N 3.06Å; P237-V240 PolarHBondContact O-N 3.01Å; P237-V241 PolarHBondContact O-N 3.5Å
238V84.3Confident82.7Confident24 Ų2461.6 Ų61.615%0.14537%0.37CS..Hα-helixtrans-68.7-33.2178.9176.20000111.4F226 A227 F230 L234 G235 P236 V240 V241 S242F226-V238 HydrophobicContact CD1-CG1 3.69Å; F226-V238 HydrophobicContact CE1-CG1 4.04Å; A227-V238 HydrophobicContact CB-CB 4.4Å; A227-V238 HydrophobicContact CB-CG1 4.25Å; F230-V238 HydrophobicContact CD1-CG2 3.91Å; F230-V238 HydrophobicContact CD2-CB 4.15Å; F230-V238 HydrophobicContact CD2-CG1 3.68Å; F230-V238 HydrophobicContact CD2-CG2 3.94Å; F230-V238 HydrophobicContact CE1-CG2 3.94Å; F230-V238 HydrophobicContact CE2-CB 4.33Å; F230-V238 HydrophobicContact CE2-CG1 3.53Å; F230-V238 HydrophobicContact CE2-CG2 4.02Å; F230-V238 HydrophobicContact CG-CB 4.48Å; F230-V238 HydrophobicContact CG-CG1 4.46Å; F230-V238 HydrophobicContact CG-CG2 3.9Å; F230-V238 HydrophobicContact CZ-CG1 4.16Å; F230-V238 HydrophobicContact CZ-CG2 4.01Å; L234-V238 WeakPolarHBondContact O-CB 3.43Å; L234-V238 WeakPolarHBondContact O-CG2 3.24Å; L234-V238 PolarHBondContact O-N 3.08Å; G235-V238 PolarHBondContact O-N 3.11Å; P236-V238 VanDerWaalsContact C-N 3.32Å; P236-V238 PolarHBondContact O-N 3.31Å; V238-V240 VanDerWaalsContact C-N 3.3Å; V238-V240 PolarHBondContact O-N 2.77Å; V238-V241 PolarHBondContact O-N 2.73Å; V238-S242 VanDerWaalsContact O-CB 3.25Å; V238-S242 WeakPolarHBondContact O-CB 3.39Å; V238-S242 PolarHBondContact O-N 3Å; V238-S242 PolarHBondContact O-OG 2.96Å
239S83.7Confident82.2Confident53 Ų5362.2 Ų62.237%0.37137%0.369SS..Hα-helixtrans-59.9-42.2176.2-169.70000111.6G235 P236 P237 S242 S243G235-S239 WeakPolarHBondContact O-CB 3.46Å; G235-S239 PolarHBondContact O-N 3.42Å; P236-S239 WeakPolarHBondContact O-CB 3.19Å; P236-S239 PolarHBondContact O-N 3.23Å; P237-S239 VanDerWaalsContact C-N 3.32Å; P237-S239 PolarHBondContact O-N 3.06Å; S239-S242 WeakPolarHBondContact CA-OG 3.45Å; S239-S242 PolarHBondContact O-OG 3Å; S239-S243 WeakPolarHBondContact O-CB 3.21Å; S239-S243 PolarHBondContact O-N 3.41Å; S239-S243 PolarHBondContact O-OG 3.45Å
240V82.4Confident81.7Confident105 Ų10563.7 Ų63.764%0.63638%0.378SS*.Hα-helixtrans-63-49176.5179.30000111P236 P237 V238 A244P236-V240 PolarHBondContact O-N 3.15Å; P237-V240 PolarHBondContact O-N 3.01Å; V238-V240 VanDerWaalsContact C-N 3.3Å; V238-V240 PolarHBondContact O-N 2.77Å; V240-A244 WeakPolarHBondContact O-CB 3.23Å; V240-A244 PolarHBondContact O-N 3.01Å
241V81.6Confident81.2Confident102 Ų10271.9 Ų71.962%0.61841%0.408SS*.Hα-helixtrans-65.3-46.2-178.8176.60000111.8P237 V238 S243 A244 A245P237-V241 PolarHBondContact O-N 3.5Å; V238-V241 PolarHBondContact O-N 2.73Å; V241-S243 PolarHBondContact O-N 2.66Å; V241-A244 PolarHBondContact O-N 2.89Å; V241-A245 PolarHBondContact O-N 3.32Å
242S81Confident81Confident13 Ų1375.1 Ų75.19%0.09142%0.423CS..Hα-helixtrans-67.1-37-178.457.80000112.2V238 S239 A245 F246V238-S242 VanDerWaalsContact O-CB 3.25Å; V238-S242 WeakPolarHBondContact O-CB 3.39Å; V238-S242 PolarHBondContact O-N 3Å; V238-S242 PolarHBondContact O-OG 2.96Å; S239-S242 WeakPolarHBondContact CA-OG 3.45Å; S239-S242 PolarHBondContact O-OG 3Å; S242-A245 PolarHBondContact O-N 3.17Å; S242-F246 WeakPolarHBondContact O-CB 3.49Å; S242-F246 PolarHBondContact O-N 3.13Å
243S81.2Confident80.7Confident55 Ų5576.4 Ų76.439%0.38543%0.43SS..Hα-helixtrans-66.3-40.3172.7-58.80000111.9S239 V241 F246 N247S239-S243 WeakPolarHBondContact O-CB 3.21Å; S239-S243 PolarHBondContact O-N 3.41Å; S239-S243 PolarHBondContact O-OG 3.45Å; V241-S243 PolarHBondContact O-N 2.66Å; S243-F246 PolarHBondContact O-N 3.31Å; S243-N247 WeakPolarHBondContact O-CB 3.39Å; S243-N247 PolarHBondContact O-N 2.92Å; S243-N247 PolarHBondContact O-ND2 2.98Å
244A78.9Confident80.4Confident50 Ų5072.5 Ų72.541%0.41341%0.414SS..Hα-helixtrans-62.5-46.7175.200000111.6V240 V241 F246 N247 V248V240-A244 WeakPolarHBondContact O-CB 3.23Å; V240-A244 PolarHBondContact O-N 3.01Å; V241-A244 PolarHBondContact O-N 2.89Å; A244-F246 VanDerWaalsContact C-N 3.33Å; A244-F246 PolarHBondContact O-N 3.4Å; A244-N247 PolarHBondContact O-N 2.95Å; A244-V248 WeakPolarHBondContact O-CG2 3.26Å; A244-V248 PolarHBondContact O-N 3.12Å
245A78.8Confident79.8Confident34 Ų3468.9 Ų68.928%0.28140%0.395SS..Hα-helixtrans-59.6-43.2175.700000111.7F200 V241 S242 V248 L249F200-A245 HydrophobicContact CZ-CB 4.33Å; V241-A245 PolarHBondContact O-N 3.32Å; S242-A245 PolarHBondContact O-N 3.17Å; A245-V248 PolarHBondContact O-N 3.3Å; A245-L249 WeakPolarHBondContact O-CG 3.17Å; A245-L249 PolarHBondContact O-N 2.84Å
246F77.8Confident79.3Confident27 Ų2775.6 Ų75.612%0.11842%0.42CS..Hα-helixtrans-62-45175.6177.6-109.7000112.4F208 S242 S243 A244 V248 L249 V250 C255 P258F208-F246 AromaticContact CD1-CE2 3.58Å; F208-F246 HydrophobicContact CD1-CE2 3.58Å; F208-F246 AromaticContact CD1-CZ 3.92Å; F208-F246 HydrophobicContact CD1-CZ 3.92Å; F208-F246 HydrophobicContact CD2-CD2 4.03Å; F208-F246 AromaticContact CD2-CE2 3.72Å; F208-F246 HydrophobicContact CD2-CE2 3.72Å; F208-F246 AromaticContact CE1-CD2 3.87Å; F208-F246 HydrophobicContact CE1-CD2 3.87Å; F208-F246 HydrophobicContact CE1-CE1 4.23Å; F208-F246 AromaticContact CE1-CE2 3.14Å; F208-F246 HydrophobicContact CE1-CE2 3.14Å; F208-F246 AromaticContact CE1-CZ 3.35Å; F208-F246 HydrophobicContact CE1-CZ 3.35Å; F208-F246 AromaticContact CE2-CD2 3.28Å; F208-F246 HydrophobicContact CE2-CD2 3.28Å; F208-F246 AromaticContact CE2-CE2 3.3Å; F208-F246 HydrophobicContact CE2-CE2 3.3Å; F208-F246 HydrophobicContact CE2-CG 4.31Å; F208-F246 HydrophobicContact CE2-CZ 4.32Å; F208-F246 AromaticContact CG-CE2 3.85Å; F208-F246 HydrophobicContact CG-CE2 3.85Å; F208-F246 HydrophobicContact CZ-CD1 4.44Å; F208-F246 AromaticContact CZ-CD2 3.19Å; F208-F246 HydrophobicContact CZ-CD2 3.19Å; F208-F246 HydrophobicContact CZ-CE1 4.28Å; F208-F246 AromaticContact CZ-CE2 2.99Å; F208-F246 HydrophobicContact CZ-CE2 2.99Å; F208-F246 AromaticContact CZ-CG 3.93Å; F208-F246 HydrophobicContact CZ-CG 3.93Å; F208-F246 AromaticContact CZ-CZ 3.59Å; F208-F246 HydrophobicContact CZ-CZ 3.59Å; S242-F246 WeakPolarHBondContact O-CB 3.49Å; S242-F246 PolarHBondContact O-N 3.13Å; S243-F246 PolarHBondContact O-N 3.31Å; A244-F246 VanDerWaalsContact C-N 3.33Å; A244-F246 PolarHBondContact O-N 3.4Å; F246-V248 VanDerWaalsContact C-N 3.26Å; F246-V248 PolarHBondContact O-N 2.86Å; F246-L249 WeakPolarHBondContact O-CB 3.33Å; F246-L249 PolarHBondContact O-N 3.22Å; F246-V250 HydrophobicContact CD1-CG2 4.11Å; F246-V250 HydrophobicContact CD2-CG2 4.2Å; F246-V250 HydrophobicContact CE1-CG2 3.57Å; F246-V250 HydrophobicContact CE2-CG2 3.65Å; F246-V250 HydrophobicContact CG-CG2 4.41Å; F246-V250 HydrophobicContact CZ-CG2 3.32Å; F246-V250 WeakPolarHBondContact O-CG2 3.2Å; F246-V250 PolarHBondContact O-N 2.94Å; F246-C255 HydrophobicContact CE2-CB 3.85Å; F246-P258 HydrophobicContact CE1-CG 4.49Å; F246-P258 HydrophobicContact CZ-CG 4.49Å
247N78.7Confident78.4Confident90 Ų9075.9 Ų75.948%0.48142%0.422SS..Hα-helixtrans-61.3-35.8177.7-72.9-26000112S243 A244 R251S243-N247 WeakPolarHBondContact O-CB 3.39Å; S243-N247 PolarHBondContact O-N 2.92Å; S243-N247 PolarHBondContact O-ND2 2.98Å; A244-N247 PolarHBondContact O-N 2.95Å; N247-R251 WeakPolarHBondContact O-CB 3.49Å; N247-R251 VanDerWaalsContact O-CG 3.23Å; N247-R251 WeakPolarHBondContact O-CG 3.4Å; N247-R251 PolarHBondContact O-N 3.18Å
248V79.8Confident77.5Confident81 Ų8176 Ų7649%0.49142%0.423SS..Hα-helixtrans-63.8-46.5171.8173.10000110.7A244 A245 F246 V250 R251 L252A244-V248 WeakPolarHBondContact O-CG2 3.26Å; A244-V248 PolarHBondContact O-N 3.12Å; A245-V248 PolarHBondContact O-N 3.3Å; F246-V248 VanDerWaalsContact C-N 3.26Å; F246-V248 PolarHBondContact O-N 2.86Å; V248-V250 VanDerWaalsContact C-N 3.33Å; V248-V250 PolarHBondContact O-N 3.37Å; V248-R251 PolarHBondContact O-N 3.38Å; V248-L252 HydrophobicContact CG1-CD1 4.06Å; V248-L252 HydrophobicContact CG1-CG 4.43Å; V248-L252 WeakPolarHBondContact O-CG 3.48Å; V248-L252 PolarHBondContact O-N 3.45Å
249L77.9Confident76.4Confident30 Ų3079.1 Ų79.116%0.15744%0.444CS..Hα-helixtrans-62.5-37.3178.4-68.2172.3000113.2F200 T204 A245 F246 L252 I254 C255F200-L249 HydrophobicContact CE1-CD1 4.33Å; F200-L249 HydrophobicContact CZ-CD1 4.19Å; T204-L249 HydrophobicContact CG2-CD1 4.12Å; A245-L249 WeakPolarHBondContact O-CG 3.17Å; A245-L249 PolarHBondContact O-N 2.84Å; F246-L249 WeakPolarHBondContact O-CB 3.33Å; F246-L249 PolarHBondContact O-N 3.22Å; L249-L252 PolarHBondContact O-N 3.22Å; L249-I254 HydrophobicContact CD2-CD1 4Å; L249-I254 WeakPolarHBondContact O-CB 3.29Å; L249-I254 PolarHBondContact O-N 3.4Å; L249-I254 VanDerWaalsContact O-N 3.07Å; L249-C255 HydrophobicContact CB-CB 4.37Å; L249-C255 PolarHBondContact O-N 3.49Å
250V77.2Confident75.2Confident33 Ų3383.8 Ų83.820%0.246%0.463CS..Hα-helixtrans-67.7-42.4174.2174.40000110.7F246 V248 L252 N253 C255F246-V250 HydrophobicContact CD1-CG2 4.11Å; F246-V250 HydrophobicContact CD2-CG2 4.2Å; F246-V250 HydrophobicContact CE1-CG2 3.57Å; F246-V250 HydrophobicContact CE2-CG2 3.65Å; F246-V250 HydrophobicContact CG-CG2 4.41Å; F246-V250 HydrophobicContact CZ-CG2 3.32Å; F246-V250 WeakPolarHBondContact O-CG2 3.2Å; F246-V250 PolarHBondContact O-N 2.94Å; V248-V250 VanDerWaalsContact C-N 3.33Å; V248-V250 PolarHBondContact O-N 3.37Å; V250-L252 VanDerWaalsContact C-N 3.27Å; V250-L252 PolarHBondContact O-N 3.48Å; V250-N253 WeakPolarHBondContact O-CA 3.4Å; V250-N253 PolarHBondContact O-N 2.99Å; V250-C255 HydrophobicContact CG2-CB 3.76Å
251R78.5Confident74Confident212 Ų21286.6 Ų86.680%0.846%0.462SS*.Hα-helixtrans-63.2-32.7176.1-76.9177.4178.5-164.80.3112.9N247 V248 N253N247-R251 WeakPolarHBondContact O-CB 3.49Å; N247-R251 VanDerWaalsContact O-CG 3.23Å; N247-R251 WeakPolarHBondContact O-CG 3.4Å; N247-R251 PolarHBondContact O-N 3.18Å; V248-R251 PolarHBondContact O-N 3.38Å; R251-N253 PolarHBondContact O-N 3.13Å
252L80.7Confident72.2Confident111 Ų11189.5 Ų89.558%0.58147%0.469SS*.THydrogen-bonded Turntrans-753.8173.1-66.6175.5000113V248 L249 V250 I254V248-L252 HydrophobicContact CG1-CD1 4.06Å; V248-L252 HydrophobicContact CG1-CG 4.43Å; V248-L252 WeakPolarHBondContact O-CG 3.48Å; V248-L252 PolarHBondContact O-N 3.45Å; L249-L252 PolarHBondContact O-N 3.22Å; V250-L252 VanDerWaalsContact C-N 3.27Å; V250-L252 PolarHBondContact O-N 3.48Å; L252-I254 HydrophobicContact CB-CD1 3.89Å; L252-I254 HydrophobicContact CB-CG1 3.91Å; L252-I254 HydrophobicContact CD1-CD1 4.06Å; L252-I254 PolarHBondContact O-N 2.9Å
253N76.9Confident70.7Confident151 Ų15193.9 Ų93.981%0.80750%0.495SS*.THydrogen-bonded Turntrans55.718.1-173.3-65.7-51000114V250 R251V250-N253 WeakPolarHBondContact O-CA 3.4Å; V250-N253 PolarHBondContact O-N 2.99Å; R251-N253 PolarHBondContact O-N 3.13Å
254I75.6Confident69Low90 Ų9096.8 Ų96.846%0.46252%0.515SS..SBendtrans-72.8-52.7174.3-62173000107.4F209 L249 L252F209-I254 WeakPolarHBondContact CE1-O 3.38Å; F209-I254 HydrophobicContact CZ-CG2 4.28Å; F209-I254 WeakPolarHBondContact CZ-O 3.42Å; L249-I254 HydrophobicContact CD2-CD1 4Å; L249-I254 WeakPolarHBondContact O-CB 3.29Å; L249-I254 PolarHBondContact O-N 3.4Å; L249-I254 VanDerWaalsContact O-N 3.07Å; L252-I254 HydrophobicContact CB-CD1 3.89Å; L252-I254 HydrophobicContact CB-CG1 3.91Å; L252-I254 HydrophobicContact CD1-CD1 4.06Å; L252-I254 PolarHBondContact O-N 2.9Å
255C70.7Confident67.6Low4 Ų496 Ų963%0.02751%0.511CS..SBendtrans-95.5139.6178-65.50000111.4F209 F246 L249 V250F209-C255 HydrophobicContact CZ-CB 4.48Å; F246-C255 HydrophobicContact CE2-CB 3.85Å; L249-C255 HydrophobicContact CB-CB 4.37Å; L249-C255 PolarHBondContact O-N 3.49Å; V250-C255 HydrophobicContact CG2-CB 3.76Å
256K70.1Confident66Low155 Ų15598.7 Ų98.767%0.67453%0.526SS*.PPolyproline II helixtrans-78145.4167.5-65.3-175.1-179.6-1730109.5
257P66Low64.7Low94 Ų94103.2 Ų103.261%0.6156%0.559SS**PPolyproline II helixtrans-57.3147.7170.524.2-31.9000109.7
258P64.8Low63.6Low81 Ų81104.4 Ų104.453%0.52657%0.574SS.*PPolyproline II helixtrans-53.8142.5177.5-20.529.7000110.6F246 I260F246-P258 HydrophobicContact CE1-CG 4.49Å; F246-P258 HydrophobicContact CZ-CG 4.49Å; P258-I260 PolarHBondContact O-N 3.05Å
259P61.5Low62Low90 Ų90105.9 Ų105.958%0.58458%0.583SS**PPolyproline II helixtrans-57.5129.6171.921.8-29000109.3R261P259-R261 PolarHBondContact O-N 2.85Å; P259-R261 VanDerWaalsContact O-N 3.13Å
260I59.6Low60.5Low151 Ų151107.7 Ų107.777%0.77460%0.595SS**PPolyproline II helixtrans-61.3118.3172.4-59.3172.1000106.2P258 Q262P258-I260 PolarHBondContact O-N 3.05Å; I260-Q262 VanDerWaalsContact C-N 3.26Å; I260-Q262 PolarHBondContact O-N 3.26Å
261R56.1Low58.8Low164 Ų164110.7 Ų110.762%0.61962%0.617SS**  trans-64.795.1167.4-67.4-172.9-169.8-172.97.2106.7V220 P259 V263V220-R261 PolarHBondContact O-NH2 2.74Å; P259-R261 PolarHBondContact O-N 2.85Å; P259-R261 VanDerWaalsContact O-N 3.13Å; R261-V263 VanDerWaalsContact C-N 3.33Å; R261-V263 PolarHBondContact O-N 3.25Å
262Q43.8Very low57.2Low163 Ų163108.3 Ų108.376%0.76261%0.613SS**  trans-65.8103.5161.5-68.9-169.2-17.600105.4I260 S264I260-Q262 VanDerWaalsContact C-N 3.26Å; I260-Q262 PolarHBondContact O-N 3.26Å; Q262-S264 PolarHBondContact O-N 2.97Å
263V50.5Low55.4Low106 Ų106108.9 Ų108.964%0.64262%0.621SS**  trans-67.686.8166.3-179.70000105.2R261 G265 V270R261-V263 VanDerWaalsContact C-N 3.33Å; R261-V263 PolarHBondContact O-N 3.25Å; V263-G265 PolarHBondContact O-N 2.91Å; V263-V270 HydrophobicContact CG1-CG2 4.36Å
264S45Very low53.7Low116 Ų116107.5 Ų107.581%0.81161%0.612SS**  trans-7557.9168.7-52.80000108.6Q262Q262-S264 PolarHBondContact O-N 2.97Å
265G49.1Very low51.8Low32 Ų32109.2 Ų109.233%0.3362%0.623SS.*SBendtrans-114.8143164.900000107.4V263V263-G265 PolarHBondContact O-N 2.91Å
266P46.2Very low50.9Low92 Ų92115.4 Ų115.460%0.59765%0.654SS**  trans-52.9143.5176.521.3-30.2000109.4S268 V269P266-S268 PolarHBondContact O-N 3.13Å; P266-V269 PolarHBondContact O-N 3.33Å
267P50.9Low49.6Very low122 Ų122116 Ų11679%0.79266%0.659SS**THydrogen-bonded Turntrans-58.4-4.2-16919.5-31.3000115.2
268S55.2Low48.6Very low114 Ų114116.9 Ų116.980%0.79766%0.658SS**THydrogen-bonded Turntrans-83.1-8.8179.1-48.10000115.6P266P266-S268 PolarHBondContact O-N 3.13Å
269V45.3Very low47.3Very low113 Ų113117.7 Ų117.769%0.68566%0.659SS**SBendtrans-109.93.2179.5-155.70000113.2P266 S271P266-V269 PolarHBondContact O-N 3.33Å; V269-S271 PolarHBondContact O-N 2.82Å
270V46.2Very low46.5Very low67 Ų67115.9 Ų115.941%0.40665%0.651SS.*  trans-83.967.9166.6-162.80000108.3V263 F272V263-V270 HydrophobicContact CG1-CG2 4.36Å; V270-F272 HydrophobicContact CB-CE2 4.21Å; V270-F272 HydrophobicContact CG1-CD2 3.75Å; V270-F272 HydrophobicContact CG1-CE1 4.15Å; V270-F272 HydrophobicContact CG1-CE2 3.22Å; V270-F272 HydrophobicContact CG1-CG 4.41Å; V270-F272 HydrophobicContact CG1-CZ 3.45Å; V270-F272 VanDerWaalsContact CG1-CZ 3.45Å; V270-F272 PolarHBondContact O-N 3.4Å
271S42.4Very low46Very low96 Ų96115.9 Ų115.967%0.67165%0.648SS**  trans-68.588.7167.553.20000108V269 T273V269-S271 PolarHBondContact O-N 2.82Å; S271-T273 PolarHBondContact O-N 3.04Å
272F43.7Very low45.4Very low162 Ų162112.5 Ų112.571%0.71164%0.642SS**  trans-68.694.2154.4-60.3-79.7000106.1V270 I274V270-F272 HydrophobicContact CB-CE2 4.21Å; V270-F272 HydrophobicContact CG1-CD2 3.75Å; V270-F272 HydrophobicContact CG1-CE1 4.15Å; V270-F272 HydrophobicContact CG1-CE2 3.22Å; V270-F272 HydrophobicContact CG1-CG 4.41Å; V270-F272 HydrophobicContact CG1-CZ 3.45Å; V270-F272 VanDerWaalsContact CG1-CZ 3.45Å; V270-F272 PolarHBondContact O-N 3.4Å; F272-I274 HydrophobicContact CB-CD1 4.42Å; F272-I274 HydrophobicContact CB-CG1 4.24Å; F272-I274 PolarHBondContact O-N 3.12Å
273T43.8Very low45.5Very low123 Ų123107.2 Ų107.276%0.75563%0.625SS**  trans-6780.5154.447.30000106.4S271 D275S271-T273 PolarHBondContact O-N 3.04Å; T273-D275 PolarHBondContact O-N 3.06Å
274I40.2Very low45.1Very low122 Ų122108.3 Ų108.363%0.62663%0.628SS**  trans-65.9119.3153-67.9160.7000103.7F272 I276F272-I274 HydrophobicContact CB-CD1 4.42Å; F272-I274 HydrophobicContact CB-CG1 4.24Å; F272-I274 PolarHBondContact O-N 3.12Å; I274-I276 VanDerWaalsContact C-N 3.29Å; I274-I276 PolarHBondContact O-N 3.2Å
275D37.7Very low45.2Very low127 Ų127112.5 Ų112.568%0.67963%0.626SS**  trans-5991.1175.1-83.9-42.2000110T273 H277 N278T273-D275 PolarHBondContact O-N 3.06Å; D275-H277 PolarHBondContact O-N 3.13Å; D275-H277 VanDerWaalsContact O-N 3.16Å; D275-N278 PolarHBondContact O-N 3.49Å
276I50.3Low44.7Very low133 Ų133119.4 Ų119.468%0.68264%0.643SS**Hα-helixtrans-63.6-17.8175.8-67167.6000110.7I274 N278 N279 A280I274-I276 VanDerWaalsContact C-N 3.29Å; I274-I276 PolarHBondContact O-N 3.2Å; I276-N278 VanDerWaalsContact C-N 3.29Å; I276-N278 PolarHBondContact O-N 3.34Å; I276-N279 PolarHBondContact O-N 2.88Å; I276-A280 PolarHBondContact O-N 3.19Å
277H43.8Very low44.8Very low167 Ų167119.6 Ų119.677%0.77364%0.638SS**Hα-helixtrans-67.1-24.8-178.6-116.479.2000114.3D275D275-H277 PolarHBondContact O-N 3.13Å; D275-H277 VanDerWaalsContact O-N 3.16Å
278N43.9Very low44.4Very low113 Ų113119.4 Ų119.460%0.60464%0.637SS**Hα-helixtrans-88.9-27.1179.8-1477.1000112.8D275 I276D275-N278 PolarHBondContact O-N 3.49Å; I276-N278 VanDerWaalsContact C-N 3.29Å; I276-N278 PolarHBondContact O-N 3.34Å
279N37.6Very low43.9Very low99 Ų99117.5 Ų117.553%0.52963%0.628SS.*Hα-helixtrans-88.6-21.8-179.2-72-7.2000113.5I276 Q281 L282 A283I276-N279 PolarHBondContact O-N 2.88Å; N279-Q281 VanDerWaalsContact C-N 3.29Å; N279-Q281 PolarHBondContact O-N 3.15Å; N279-L282 PolarHBondContact O-N 3.42Å; N279-A283 WeakPolarHBondContact O-CB 3.42Å; N279-A283 PolarHBondContact O-N 3.29Å
280A45.8Very low43.8Very low51 Ų51118.4 Ų118.442%0.42163%0.628SS.*Hα-helixtrans-64.4-33.817500000112.5I276 L282 A283 N284I276-A280 PolarHBondContact O-N 3.19Å; A280-L282 VanDerWaalsContact C-N 3.34Å; A280-A283 PolarHBondContact O-N 2.77Å; A280-N284 PolarHBondContact O-N 3.16Å
281Q47.7Very low43.5Very low152 Ų152122.3 Ų122.371%0.7165%0.647SS**Hα-helixtrans-70.5-30.5175.3-66.4-166.5-24.200112.6N279N279-Q281 VanDerWaalsContact C-N 3.29Å; N279-Q281 PolarHBondContact O-N 3.15Å
282L43.9Very low43.7Very low93 Ų93126 Ų12649%0.48765%0.653SS.*Hα-helixtrans-78.8-36.2174.1-80.5157.9000112.3N279 A280 R285 Y286N279-L282 PolarHBondContact O-N 3.42Å; A280-L282 VanDerWaalsContact C-N 3.34Å; L282-R285 WeakPolarHBondContact O-CB 3.44Å; L282-R285 PolarHBondContact O-N 3.42Å; L282-R285 VanDerWaalsContact O-N 3.15Å; L282-Y286 WeakPolarHBondContact O-CD2 3.35Å
283A46.4Very low43.9Very low51 Ų51123 Ų12342%0.42165%0.648SS.*Hα-helixtrans-66.5-38.2179.600000112.7N279 A280 R285 Y286 I287N279-A283 WeakPolarHBondContact O-CB 3.42Å; N279-A283 PolarHBondContact O-N 3.29Å; A280-A283 PolarHBondContact O-N 2.77Å; A283-R285 PolarHBondContact O-N 3.44Å; A283-R285 VanDerWaalsContact O-N 3.12Å; A283-Y286 PolarHBondContact O-N 3.33Å; A283-I287 PolarHBondContact O-N 3.16Å
284N42Very low43.5Very low129 Ų129124.3 Ų124.369%0.6965%0.65SS**THydrogen-bonded Turntrans-64-15.8174.3-92.7-6.6000113.7A280 Y286A280-N284 PolarHBondContact O-N 3.16Å; N284-Y286 VanDerWaalsContact C-N 3.35Å
285R46.1Very low43.3Very low204 Ų204124.6 Ų124.677%0.7766%0.658SS**THydrogen-bonded Turntrans-78.6-16.4174-119.2178.6-175.1162.62.4113.8L282 A283L282-R285 WeakPolarHBondContact O-CB 3.44Å; L282-R285 PolarHBondContact O-N 3.42Å; L282-R285 VanDerWaalsContact O-N 3.15Å; A283-R285 PolarHBondContact O-N 3.44Å; A283-R285 VanDerWaalsContact O-N 3.12Å
286Y40Very low42.9Very low178 Ų178124.7 Ų124.770%0.69866%0.663SS**THydrogen-bonded Turntrans-112.9-6.2-175.1-71.1-77.6000115.1L282 A283 N284 A289L282-Y286 WeakPolarHBondContact O-CD2 3.35Å; A283-Y286 PolarHBondContact O-N 3.33Å; N284-Y286 VanDerWaalsContact C-N 3.35Å; Y286-A289 PolarHBondContact O-N 3.5Å
287I47.1Very low42.2Very low96 Ų96124.5 Ų124.549%0.49267%0.674SS.*G310 helixtrans-70.8-14.1-179.2-66.2171.5000115.5A283 A289A283-I287 PolarHBondContact O-N 3.16Å; I287-A289 PolarHBondContact O-N 3.04Å; I287-A289 VanDerWaalsContact O-N 3.16Å
288P43.6Very low41.6Very low118 Ų118123.3 Ų123.377%0.76667%0.671SS**G310 helixtrans-69.3-8.5170.8-1831.7000114.8
289A44.6Very low40.7Very low74 Ų74126.3 Ų126.361%0.61268%0.682SS**G310 helixtrans-96.1-18.4-175.100000115.3Y286 I287Y286-A289 PolarHBondContact O-N 3.5Å; I287-A289 PolarHBondContact O-N 3.04Å; I287-A289 VanDerWaalsContact O-N 3.16Å
290L43.4Very low40.2Very low131 Ų131127.2 Ų127.269%0.68670%0.696SS**THydrogen-bonded Turntrans-95-16.5-170.3-153.873.8000114.9H292L290-H292 PolarHBondContact O-N 3.23Å; L290-H292 VanDerWaalsContact O-N 3.13Å
291N40.6Very low39.5Very low149 Ų149130 Ų13080%0.79772%0.719SS**THydrogen-bonded Turntrans-72-5.1178.9-74.2-7.7000113.7
292H45.3Very low38.3Very low173 Ų173126.3 Ų126.380%0.80172%0.722SS**THydrogen-bonded Turntrans-102.56.7-174.6-133.9-65000115.6L290L290-H292 PolarHBondContact O-N 3.23Å; L290-H292 VanDerWaalsContact O-N 3.13Å
293V48.8Very low37.5Very low101 Ų101130.8 Ų130.861%0.61274%0.738SS**THydrogen-bonded Turntrans-125.1-18.6-173.9-176.30000116.3T295V293-T295 PolarHBondContact O-N 3.12Å
294N34Very low36.4Very low149 Ų149138 Ų13880%0.79776%0.755SS**  trans-89.713.6-173.2-88.45.5000117.3T296N294-T296 VanDerWaalsContact C-N 3.31Å; N294-T296 PolarHBondContact O-N 3.21Å
295T36.8Very low35.6Very low129 Ų129139 Ų13979%0.79176%0.759SS**SBendtrans-83.575.5159310000109.6V293V293-T295 PolarHBondContact O-N 3.12Å
296T30.3Very low34.7Very low129 Ų129135 Ų13579%0.79176%0.759SS**  trans167.896.9152.732.20000111.8N294N294-T296 VanDerWaalsContact C-N 3.31Å; N294-T296 PolarHBondContact O-N 3.21Å
297S35Very low33.9Very low128 Ų128131.3 Ų131.390%0.89576%0.76SS**  trans179.6138.7133.842.80000110.5
298I30.2Very low33Very low142 Ų142134.8 Ų134.873%0.72878%0.778SS**  trans-120.4141.1-160.9-77.9173.1000107.7
299Q25.9Very low32.4Very low177 Ų177137.1 Ų137.183%0.82778%0.778SS**  trans64142.7150.3-69.8162.8-2.300123.5
300S27.4Very low31.6Very low117 Ų117139 Ų13982%0.81878%0.782SS**  trans98.596.8143.9-61.90000119.7
301A30.5Very low30.6Very low109 Ų109141 Ų14190%0.90179%0.792SS**  -173106.5125.300000110.8
302G23.5Very low30Very low76 Ų76138.5 Ų138.578%0.78479%0.786SS**  trans-102.3138.5169.600000111.8
303K25.9Very low28.9Very low187 Ų187137.4 Ų137.481%0.81379%0.786SS**  trans-164.6125.5153.6-113.2-168.7170.8162.80112.3
304Y24.2Very low27.8Very low203 Ų203143 Ų14380%0.79680%0.802SS**  trans69.3104.4156.9-73.3-89.3000121.7
305I24.7Very low27.5Very low148 Ų148141 Ų14176%0.75980%0.8SS**  trans-114.7129.4157.1-62163.7000106.6
306P26.3Very low26.7Very low120 Ų120141.7 Ų141.778%0.77981%0.805SS**  trans-99.8115.415910.19.3000110
307S23.7Very low26.4Very low102 Ų102143.8 Ų143.871%0.71381%0.805SS**  trans-94119.8167.5-49.20000108.3
308I29.4Very low25.8Very low169 Ų169145.6 Ų145.687%0.86780%0.8SS**  trans-121.3135.4161.6-64.6-178.9000109.3
309H30.2Very low25.5Very low166 Ų166145.5 Ų145.577%0.76981%0.806SS**  trans-65.9149.1-164.9-90.4-89.2000117.3
310T26.9Very low25.2Very low115 Ų115146.1 Ų146.171%0.70681%0.809SS**  trans72109.9135.3-51.40000119.5
311I23.7Very low25.1Very low173 Ų173146.3 Ų146.389%0.88781%0.807SS**  trans-79.3122165.1-62.6159.6000108.6
312S26.4Very low24.9Very low95 Ų95148.6 Ų148.666%0.66480%0.802SS**  trans-156.1114.8155.960.40000111.5
313N22.7Very low24.8Very low151 Ų151154 Ų15481%0.80781%0.808SS**  trans46.6106.2150-58.7-10000119.2
314F26.8Very low25Very low217 Ų217151.4 Ų151.495%0.95281%0.808SS**  trans-131.2133.5143.3-122.3-89.3000110.7
315S26.3Very low25.1Very low109 Ų109150 Ų15076%0.76281%0.814SS**  trans-73.9154.6-164-46.90000114.2
316T21.5Very low25.4Very low143 Ų143146.4 Ų146.488%0.87781%0.813SS**  trans-47.4120.3167.8-36.50000113.4
317E23.4Very low25.6Very low172 Ų172147.4 Ų147.480%0.80482%0.817SS**  trans-155.9113.4150.3-120.1172.3179.400112.5
318Q21.3Very low26.1Very low167 Ų167148.2 Ų148.278%0.7882%0.82SS**  trans51.2109.7145-61.71791300120.7
319T25.1Very low26.3Very low140 Ų140148.3 Ų148.386%0.85982%0.821SS**  -150.5124.1129.8-32.20000111.1
320Q19.7Very low26.5Very low189 Ų189145.5 Ų145.588%0.88382%0.818SS**  trans-67.9138.7179-68.2174.6-13.700112.8
321P25.4Very low26.9Very low121 Ų121146.2 Ų146.279%0.78682%0.824SS**  trans-106.8118161.54.916.2000112.6
322I26Very low27.6Very low157 Ų157145.7 Ų145.781%0.80582%0.822SS**  trans10.3121.5149.5-62.4161.7000118.3
323Q21.4Very low27.9Very low191 Ų191146.3 Ų146.389%0.89382%0.824SS**  trans-68128.8164.4-71.4171.6-15.600111.9
324T30Very low28.3Very low132 Ų132144.6 Ų144.681%0.8182%0.82SS**  trans-132.7113.9152.951.40000109.8
325N26.7Very low28.7Very low174 Ų174140.3 Ų140.393%0.9381%0.814SS**  trans-55.2128170.6-85-25.1000111.8
326G31Very low29Very low72 Ų72142.8 Ų142.874%0.74282%0.818SS**  trans-150.7102.8165.700000109.1
327T31Very low29.7Very low140 Ų140141.1 Ų141.186%0.85981%0.812SS**PPolyproline II helixtrans-60.8142.8-177-6.50000111.9
328P33.1Very low30Very low120 Ų120139.3 Ų139.378%0.77981%0.812SS**PPolyproline II helixtrans-79.1137.2-173.4-7.725.8000112.5
329L33Very low30.7Very low170 Ų170136.4 Ų136.489%0.8981%0.81SS**PPolyproline II helixtrans-66140.8169.7-85.6149000111.1
330P34.4Very low30.9Very low108 Ų108136.5 Ų136.570%0.70181%0.805SS**PPolyproline II helixtrans-74.6156.5-175.228.6-33.5000113.7
331P37.1Very low31.5Very low129 Ų129134.1 Ų134.184%0.83880%0.799SS**PPolyproline II helixtrans-77.4140.9-171.2-8.526.2000113
332I36.6Very low32Very low162 Ų162135.8 Ų135.883%0.83180%0.801SS**PPolyproline II helixtrans-74129.6177-63.5164.9000109.5
333P32.7Very low32.3Very low109 Ų109136.6 Ų136.671%0.70881%0.806SS**PPolyproline II helixtrans-75.5152.4-17823.4-23.8000113.2
334P32.7Very low33.4Very low114 Ų114136.6 Ų136.674%0.7483%0.828SS**PPolyproline II helixtrans-78.5160.8-170.231.1-34.9000114.1
335P34.2Very low33.5Very low127 Ų127136.9 Ų136.983%0.82583%0.828SS**PPolyproline II helixtrans-73.7137.4-173.7-10.426.8000112.8S337P335-S337 PolarHBondContact O-N 3.32Å
336I33.3Very low33.9Very low162 Ų162134.9 Ų134.983%0.83182%0.823SS**  trans-73.7111177.7-61.7162.9000109
337S35.3Very low34.1Very low107 Ų107138.4 Ų138.475%0.74883%0.828SS**  trans-78.1117.7170.452.80000110.3P335P335-S337 PolarHBondContact O-N 3.32Å
338V30.9Very low34.3Very low134 Ų134138.3 Ų138.381%0.81283%0.826SS**  trans-89.8112.2170.9-179.50000107.7
339S34.7Very low34.3Very low107 Ų107139.4 Ų139.475%0.74883%0.829SS**  trans-129.2123.3168570000109.8
340N28.9Very low34.4Very low141 Ų141137.4 Ų137.475%0.75482%0.824SS**  trans-60.9166.3172.1-76.7-22.7000112.7
341D32.2Very low34.4Very low140 Ų140139.5 Ų139.575%0.74983%0.833SS**  trans11199.7155.4-59-18.2000115
342N37.2Very low34.2Very low155 Ų155140.3 Ų140.383%0.82983%0.833SS**  178.813685.2-91.8-43.5000112.7
343L32.2Very low34Very low174 Ų174138.5 Ų138.591%0.91183%0.833SS**  trans-58.1142.3162.9-73.7101.4000110.8
344S43.7Very low34.1Very low192 Ų192141.2 Ų141.2100%1.34385%0.845SS**  trans-119.20150.362.20000108.4

Retrieved 344 of 344 residues in 139.2 ms (Link to these results)