G4V8G5_SCHMA Loading...

Putative vacuole membrane protein

AlphaFold DB , UniProt , Accession G4V8G5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 400 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
1M42.9Very low47.2Very low246 Ų246127.1 Ų127.1100%1.21267%0.668SS**  023.90-85.9178160.900114.4
2G51Low48Very low62 Ų62125.8 Ų125.864%0.63966%0.663SS**  trans-86.4-17.4-173.700000117.2G4G2-G4 VanDerWaalsContact C-N 3.33Å; G2-G4 PolarHBondContact O-N 3.46Å
3V47.9Very low49Very low125 Ų125118.7 Ų118.776%0.75864%0.638SS**Hα-helixtrans-72.1-24.3-169-174.30000113.1I7V3-I7 HydrophobicContact CG1-CD1 4.4Å
4G44.9Very low50.2Low43 Ų43114.6 Ų114.644%0.44362%0.619SS.*Hα-helixtrans-79.4-22-177.200000116G2 K8G2-G4 VanDerWaalsContact C-N 3.33Å; G2-G4 PolarHBondContact O-N 3.46Å; G4-K8 PolarHBondContact O-N 2.95Å
5K45.6Very low51.1Low171 Ų171116.3 Ų116.374%0.74362%0.621SS**Hα-helixtrans-75.8-33.8-177.9-78.8-173.7177.5-179.40112.6R9K5-R9 WeakPolarHBondContact O-CG 3.05Å; K5-R9 PolarHBondContact O-N 3.37Å
6G43.1Very low52.4Low43 Ų43118.1 Ų118.144%0.44362%0.622SS.*Hα-helixtrans-68.5-46.3177.500000112.6R9 Q10G6-R9 PolarHBondContact O-N 3.07Å; G6-Q10 PolarHBondContact O-N 3.27Å
7I48.4Very low53.4Low90 Ų90119.3 Ų119.346%0.46262%0.621SS.*Hα-helixtrans-64-44.5-180-60.8171000111V3 R9 Q10 Q11V3-I7 HydrophobicContact CG1-CD1 4.4Å; I7-R9 PolarHBondContact O-N 3.2Å; I7-Q10 PolarHBondContact O-N 3.01Å; I7-Q11 WeakPolarHBondContact O-CB 3.37Å; I7-Q11 WeakPolarHBondContact O-CG 3.22Å; I7-Q11 PolarHBondContact O-N 3.35Å
8K44.6Very low54.3Low147 Ų147113.4 Ų113.464%0.63959%0.591SS**Hα-helixtrans-64-39177-77.3-173.9176.1-174.10112.9G4 Q11 N12G4-K8 PolarHBondContact O-N 2.95Å; K8-Q11 PolarHBondContact O-N 3.05Å; K8-N12 WeakPolarHBondContact O-CB 3.47Å; K8-N12 PolarHBondContact O-N 3.22Å; K8-N12 PolarHBondContact O-OD1 3.11Å
9R50Low55.3Low208 Ų208109.7 Ų109.779%0.78558%0.582SS**Hα-helixtrans-65.4-42.2175-81.1-173.9176.8-170.8-1.5111.8K5 G6 I7 N12 G13K5-R9 WeakPolarHBondContact O-CG 3.05Å; K5-R9 PolarHBondContact O-N 3.37Å; G6-R9 PolarHBondContact O-N 3.07Å; I7-R9 PolarHBondContact O-N 3.2Å; R9-N12 PolarHBondContact O-N 2.03Å; R9-G13 PolarHBondContact O-N 2.89Å
10Q50.4Low56.2Low146 Ų146107.1 Ų107.168%0.68257%0.568SS**Hα-helixtrans-62.8-46.6174.7-83.3-176.2-27.400111.9G6 I7 N12 G13 V14G6-Q10 PolarHBondContact O-N 3.27Å; I7-Q10 PolarHBondContact O-N 3.01Å; Q10-N12 PolarHBondContact O-N 3.17Å; Q10-G13 PolarHBondContact O-N 2.77Å; Q10-V14 VanDerWaalsContact O-CG2 3.3Å; Q10-V14 WeakPolarHBondContact O-CG2 3.22Å; Q10-V14 PolarHBondContact O-N 3.33Å
11Q50.1Low56.9Low117 Ų117102.9 Ų102.955%0.54755%0.545SS..Hα-helixtrans-60.3-44.8176.6-79.1-179.6-2800112.5I7 K8 G13 V14 Q15I7-Q11 WeakPolarHBondContact O-CB 3.37Å; I7-Q11 WeakPolarHBondContact O-CG 3.22Å; I7-Q11 PolarHBondContact O-N 3.35Å; K8-Q11 PolarHBondContact O-N 3.05Å; Q11-G13 VanDerWaalsContact C-N 3.34Å; Q11-G13 PolarHBondContact O-N 3.4Å; Q11-V14 PolarHBondContact O-N 3.12Å; Q11-Q15 WeakPolarHBondContact O-CG 3.13Å; Q11-Q15 PolarHBondContact O-N 2.83Å
12N57.4Low58.2Low112 Ų11293.6 Ų93.660%0.59950%0.502SS*.Hα-helixtrans-63.7-39.9177-71.61.9000111.8K8 R9 Q10 Q15 F16K8-N12 WeakPolarHBondContact O-CB 3.47Å; K8-N12 PolarHBondContact O-N 3.22Å; K8-N12 PolarHBondContact O-OD1 3.11Å; R9-N12 PolarHBondContact O-N 2.03Å; Q10-N12 PolarHBondContact O-N 3.17Å; N12-Q15 PolarHBondContact O-N 3Å; N12-F16 WeakPolarHBondContact O-CB 3.09Å; N12-F16 PolarHBondContact O-N 2.85Å
13G60.6Low59.3Low33 Ų3397 Ų9734%0.3450%0.499SS..Hα-helixtrans-64.9-38.8175.800000112.9R9 Q10 Q11 K17R9-G13 PolarHBondContact O-N 2.89Å; Q10-G13 PolarHBondContact O-N 2.77Å; Q11-G13 VanDerWaalsContact C-N 3.34Å; Q11-G13 PolarHBondContact O-N 3.4Å; G13-K17 WeakPolarHBondContact O-CB 3.46Å; G13-K17 WeakPolarHBondContact O-CG 3.46Å; G13-K17 PolarHBondContact O-N 2.59Å
14V65.6Low60.6Low61 Ų6192.4 Ų92.437%0.3747%0.469SS..Hα-helixtrans-65.6-48.1174.7170.50000110.8Q10 Q11 F16 K17 L18 E208Q10-V14 VanDerWaalsContact O-CG2 3.3Å; Q10-V14 WeakPolarHBondContact O-CG2 3.22Å; Q10-V14 PolarHBondContact O-N 3.33Å; Q11-V14 PolarHBondContact O-N 3.12Å; V14-F16 VanDerWaalsContact C-N 3.35Å; V14-F16 PolarHBondContact O-N 3.02Å; V14-K17 PolarHBondContact O-N 3.17Å; V14-L18 WeakPolarHBondContact O-CB 3.5Å; V14-L18 PolarHBondContact O-N 2.96Å; V14-E208 WeakPolarHBondContact CG1-OE1 3.48Å
15Q64.2Low61.7Low141 Ų14194.4 Ų94.466%0.65947%0.466SS*.Hα-helixtrans-61.7-40.6177.6-74.9-130.8-23.400112.9Q11 N12 L18 G19Q11-Q15 WeakPolarHBondContact O-CG 3.13Å; Q11-Q15 PolarHBondContact O-N 2.83Å; N12-Q15 PolarHBondContact O-N 3Å; Q15-L18 WeakPolarHBondContact O-CB 3.36Å; Q15-L18 PolarHBondContact O-N 2.93Å; Q15-G19 PolarHBondContact O-N 3.28Å
16F71Confident62.9Low145 Ų14592 Ų9264%0.63646%0.458SS*.Hα-helixtrans-62.9-47.5175.9-179.5-103.4000111.8N12 V14 L18 G19 I20N12-F16 WeakPolarHBondContact O-CB 3.09Å; N12-F16 PolarHBondContact O-N 2.85Å; V14-F16 VanDerWaalsContact C-N 3.35Å; V14-F16 PolarHBondContact O-N 3.02Å; F16-L18 VanDerWaalsContact C-N 3.27Å; F16-L18 PolarHBondContact O-N 2.91Å; F16-G19 PolarHBondContact O-N 2.94Å; F16-I20 HydrophobicContact CD1-CD1 3.95Å; F16-I20 HydrophobicContact CE1-CD1 3.4Å; F16-I20 VanDerWaalsContact CE1-CD1 3.4Å; F16-I20 HydrophobicContact CE1-CG1 4.46Å; F16-I20 HydrophobicContact CE2-CD1 4.42Å; F16-I20 HydrophobicContact CZ-CD1 3.68Å; F16-I20 HydrophobicContact CZ-CG1 4.45Å; F16-I20 PolarHBondContact O-N 2.83Å; F16-I20 VanDerWaalsContact O-N 3.16Å
17K69.7Low64.4Low138 Ų13893 Ų9360%0.645%0.452SS*.Hα-helixtrans-58.5-41174.8-76.6179-180-1770111.6G13 V14 I20 K21G13-K17 WeakPolarHBondContact O-CB 3.46Å; G13-K17 WeakPolarHBondContact O-CG 3.46Å; G13-K17 PolarHBondContact O-N 2.59Å; V14-K17 PolarHBondContact O-N 3.17Å; K17-I20 PolarHBondContact O-N 3.06Å; K17-K21 WeakPolarHBondContact O-CG 3.45Å; K17-K21 PolarHBondContact O-N 3.11Å; K17-K21 VanDerWaalsContact O-N 3.11Å
18L69.8Low65.4Low14 Ų1489.8 Ų89.87%0.07344%0.435CS..Hα-helixtrans-63.3-46.4176.6-170.483.8000112V14 Q15 F16 I20 K21 V22 E208 L209 I212V14-L18 WeakPolarHBondContact O-CB 3.5Å; V14-L18 PolarHBondContact O-N 2.96Å; Q15-L18 WeakPolarHBondContact O-CB 3.36Å; Q15-L18 PolarHBondContact O-N 2.93Å; F16-L18 VanDerWaalsContact C-N 3.27Å; F16-L18 PolarHBondContact O-N 2.91Å; L18-I20 VanDerWaalsContact C-N 3.27Å; L18-I20 PolarHBondContact O-N 3.4Å; L18-K21 WeakPolarHBondContact O-CB 3.49Å; L18-K21 PolarHBondContact O-N 2.76Å; L18-V22 HydrophobicContact CG-CG2 4.28Å; L18-V22 VanDerWaalsContact O-CG2 3.29Å; L18-V22 WeakPolarHBondContact O-CG2 3.32Å; L18-V22 PolarHBondContact O-N 2.96Å; L18-E208 HydrophobicContact CD1-CB 4.07Å; L18-L209 HydrophobicContact CD1-CB 4.47Å; L18-L209 HydrophobicContact CD1-CD1 3.85Å; L18-L209 HydrophobicContact CG-CD1 4.29Å; L18-I212 HydrophobicContact CD1-CD1 3.83Å; L18-I212 HydrophobicContact CD2-CB 4Å; L18-I212 HydrophobicContact CD2-CD1 3.23Å; L18-I212 HydrophobicContact CD2-CG1 4.15Å; L18-I212 HydrophobicContact CD2-CG2 3.64Å; L18-I212 HydrophobicContact CG-CD1 4.07Å
19G72.6Confident66.5Low42 Ų4286.1 Ų86.143%0.43342%0.422SS..Hα-helixtrans-57.3-40.1178.900000112.7Q15 F16 K23Q15-G19 PolarHBondContact O-N 3.28Å; F16-G19 PolarHBondContact O-N 2.94Å; G19-K23 WeakPolarHBondContact O-CB 3.31Å; G19-K23 PolarHBondContact O-N 2.87Å; G19-K23 VanDerWaalsContact O-N 3.08Å
20I74.7Confident67.7Low58 Ų5881.8 Ų81.830%0.29741%0.411SS..Hα-helixtrans-63.3-48.6173.3-65.3172000110.8F16 K17 L18 V22 K23 E24F16-I20 HydrophobicContact CD1-CD1 3.95Å; F16-I20 HydrophobicContact CE1-CD1 3.4Å; F16-I20 VanDerWaalsContact CE1-CD1 3.4Å; F16-I20 HydrophobicContact CE1-CG1 4.46Å; F16-I20 HydrophobicContact CE2-CD1 4.42Å; F16-I20 HydrophobicContact CZ-CD1 3.68Å; F16-I20 HydrophobicContact CZ-CG1 4.45Å; F16-I20 PolarHBondContact O-N 2.83Å; F16-I20 VanDerWaalsContact O-N 3.16Å; K17-I20 PolarHBondContact O-N 3.06Å; L18-I20 VanDerWaalsContact C-N 3.27Å; L18-I20 PolarHBondContact O-N 3.4Å; I20-V22 VanDerWaalsContact C-N 3.35Å; I20-V22 PolarHBondContact O-N 3.15Å; I20-K23 PolarHBondContact O-N 3.22Å; I20-E24 HydrophobicContact CG2-CG 4.3Å; I20-E24 WeakPolarHBondContact CG2-OE1 3.29Å; I20-E24 WeakPolarHBondContact O-CG 2.89Å; I20-E24 PolarHBondContact O-N 3.37Å
21K69.6Low68.7Low19 Ų1975 Ų758%0.08338%0.379CS..Hα-helixtrans-60.4-41.1178.3-67.3177.1-154.1-174.90112.6K17 L18 K23 E24 K25 H205 E208K17-K21 WeakPolarHBondContact O-CG 3.45Å; K17-K21 PolarHBondContact O-N 3.11Å; K17-K21 VanDerWaalsContact O-N 3.11Å; L18-K21 WeakPolarHBondContact O-CB 3.49Å; L18-K21 PolarHBondContact O-N 2.76Å; K21-K23 VanDerWaalsContact C-N 3.34Å; K21-E24 PolarHBondContact O-N 3.05Å; K21-K25 WeakPolarHBondContact O-CB 3.36Å; K21-K25 PolarHBondContact O-N 3.49Å; K21-H205 VanDerWaalsContact CD-CD2 3.44Å; K21-H205 WeakPolarHBondContact CD-CD2 3.38Å; K21-H205 WeakPolarHBondContact CD-O 3.37Å; K21-H205 WeakPolarHBondContact CE-CD2 3.3Å; K21-H205 WeakPolarHBondContact CE-NE2 3.42Å; K21-H205 PolarHBondContact NZ-CD2 3.42Å; K21-H205 PolarHBondContact NZ-ND1 3.44Å; K21-H205 PolarHBondContact NZ-O 2.96Å; K21-E208 IonicContact NZ-OE2 3.39Å; K21-E208 PolarHBondContact NZ-OE2 3.22Å
22V71.1Confident70Confident51 Ų5172.5 Ų72.531%0.30937%0.367SS..Hα-helixtrans-59.7-48.3176.2174.70000109.5L18 I20 K25 M26 L209L18-V22 HydrophobicContact CG-CG2 4.28Å; L18-V22 VanDerWaalsContact O-CG2 3.29Å; L18-V22 WeakPolarHBondContact O-CG2 3.32Å; L18-V22 PolarHBondContact O-N 2.96Å; I20-V22 VanDerWaalsContact C-N 3.35Å; I20-V22 PolarHBondContact O-N 3.15Å; V22-K25 PolarHBondContact O-N 2.96Å; V22-M26 HydrophobicContact CG1-CE 4.29Å; V22-M26 HydrophobicContact CG1-SD 4.26Å; V22-M26 WeakPolarHBondContact O-CG 3.39Å; V22-M26 PolarHBondContact O-N 3.09Å; V22-L209 HydrophobicContact CB-CD1 4.38Å; V22-L209 HydrophobicContact CG2-CD1 3.31Å
23K74.2Confident70.8Confident133 Ų13369.8 Ų69.858%0.57835%0.352SS*.Hα-helixtrans-61.3-46.7178.8-174.7-179.1176.1-176.20111.8G19 I20 K21 K25 M26 E27G19-K23 WeakPolarHBondContact O-CB 3.31Å; G19-K23 PolarHBondContact O-N 2.87Å; G19-K23 VanDerWaalsContact O-N 3.08Å; I20-K23 PolarHBondContact O-N 3.22Å; K21-K23 VanDerWaalsContact C-N 3.34Å; K23-K25 VanDerWaalsContact C-N 3.3Å; K23-K25 PolarHBondContact O-N 2.85Å; K23-M26 WeakPolarHBondContact O-CB 3.49Å; K23-M26 PolarHBondContact O-N 3.01Å; K23-E27 VanDerWaalsContact CE-OE1 3.28Å; K23-E27 WeakPolarHBondContact CE-OE1 3.47Å; K23-E27 WeakPolarHBondContact O-CG 3.44Å; K23-E27 PolarHBondContact O-N 3.08Å
24E74.4Confident71.5Confident29 Ų2978.6 Ų78.614%0.13638%0.375CS..Hα-helixtrans-59.9-40175.3-70.8173.4-17200111.8I20 K21 E27 Q28 C385 R389I20-E24 HydrophobicContact CG2-CG 4.3Å; I20-E24 WeakPolarHBondContact CG2-OE1 3.29Å; I20-E24 WeakPolarHBondContact O-CG 2.89Å; I20-E24 PolarHBondContact O-N 3.37Å; K21-E24 PolarHBondContact O-N 3.05Å; E24-E27 PolarHBondContact O-N 3.46Å; E24-Q28 VanDerWaalsContact O-CG 3.28Å; E24-Q28 WeakPolarHBondContact O-CG 3.46Å; E24-Q28 PolarHBondContact O-N 3.47Å; E24-C385 HydrophobicContact CG-CB 4.25Å; E24-R389 IonicContact OE1-CZ 3.28Å; E24-R389 IonicContact OE1-NE 3Å; E24-R389 PolarHBondContact OE1-NE 3.3Å; E24-R389 IonicContact OE1-NH2 3.24Å; E24-R389 PolarHBondContact OE1-NH2 3.16Å; E24-R389 IonicContact OE2-CZ 3.92Å; E24-R389 IonicContact OE2-NE 3.83Å; E24-R389 IonicContact OE2-NH2 3.74Å; E24-R389 PolarHBondContact OE2-NH2 3.22Å
25K68.8Low72.2Confident85 Ų8582.3 Ų82.337%0.3739%0.386SS..Hα-helixtrans-66.4-41.1176.1-169.7178.5-179.8179.80111.7K21 V22 K23 E27 Q28 D29 L209K21-K25 WeakPolarHBondContact O-CB 3.36Å; K21-K25 PolarHBondContact O-N 3.49Å; V22-K25 PolarHBondContact O-N 2.96Å; K23-K25 VanDerWaalsContact C-N 3.3Å; K23-K25 PolarHBondContact O-N 2.85Å; K25-E27 VanDerWaalsContact C-N 3.31Å; K25-E27 PolarHBondContact O-N 3.24Å; K25-Q28 WeakPolarHBondContact O-CB 3.39Å; K25-Q28 PolarHBondContact O-N 3.18Å; K25-D29 PolarHBondContact O-N 3.28Å; K25-L209 HydrophobicContact CD-CD2 3.5Å; K25-L209 VanDerWaalsContact CD-CD2 3.5Å
26M70.5Confident73Confident119 Ų11977 Ų7759%0.58637%0.365SS*.Hα-helixtrans-61.7-40173.2-73-179.1159.500111.8V22 K23 D29 Q30V22-M26 HydrophobicContact CG1-CE 4.29Å; V22-M26 HydrophobicContact CG1-SD 4.26Å; V22-M26 WeakPolarHBondContact O-CG 3.39Å; V22-M26 PolarHBondContact O-N 3.09Å; K23-M26 WeakPolarHBondContact O-CB 3.49Å; K23-M26 PolarHBondContact O-N 3.01Å; M26-D29 PolarHBondContact O-N 3.08Å; M26-Q30 WeakPolarHBondContact O-CG 3.46Å; M26-Q30 PolarHBondContact O-N 2.59Å
27E74.3Confident73.5Confident64 Ų6474 Ų7430%0.29936%0.36SS..Hα-helixtrans-64.1-40.1173.4-71.2176.1-167.100111.3K23 E24 K25 D29 Q30 H381K23-E27 VanDerWaalsContact CE-OE1 3.28Å; K23-E27 WeakPolarHBondContact CE-OE1 3.47Å; K23-E27 WeakPolarHBondContact O-CG 3.44Å; K23-E27 PolarHBondContact O-N 3.08Å; E24-E27 PolarHBondContact O-N 3.46Å; K25-E27 VanDerWaalsContact C-N 3.31Å; K25-E27 PolarHBondContact O-N 3.24Å; E27-D29 VanDerWaalsContact C-N 3.34Å; E27-D29 PolarHBondContact O-N 2.96Å; E27-Q30 WeakPolarHBondContact O-CB 3.26Å; E27-Q30 PolarHBondContact O-N 3.24Å; E27-Q30 VanDerWaalsContact O-N 3.12Å; E27-H381 IonicContact OE2-CE1 2.79Å; E27-H381 PolarHBondContact OE2-CE1 3.25Å; E27-H381 IonicContact OE2-NE2 2.67Å
28Q70.1Confident74.3Confident24 Ų2474.6 Ų74.611%0.11237%0.368CS..Hα-helixtrans-62.5-38.3172.9-71.6170.614.800112.9E24 K25 Q30 L31 R378 H381E24-Q28 VanDerWaalsContact O-CG 3.28Å; E24-Q28 WeakPolarHBondContact O-CG 3.46Å; E24-Q28 PolarHBondContact O-N 3.47Å; K25-Q28 WeakPolarHBondContact O-CB 3.39Å; K25-Q28 PolarHBondContact O-N 3.18Å; Q28-Q30 PolarHBondContact O-N 3.06Å; Q28-L31 WeakPolarHBondContact O-CB 3.44Å; Q28-L31 PolarHBondContact O-N 2.99Å; Q28-L31 VanDerWaalsContact O-N 3.15Å; Q28-R378 HydrophobicContact CB-CG 4.43Å; Q28-R378 PolarHBondContact O-NE 3.39Å; Q28-H381 WeakPolarHBondContact CG-CD2 3.22Å
29D68.3Low75.1Confident70 Ų7077.3 Ų77.337%0.37438%0.383SS..THydrogen-bonded Turntrans-75.3-3.6177.2-68.6-24.2000112.6K25 M26 E27 F32K25-D29 PolarHBondContact O-N 3.28Å; M26-D29 PolarHBondContact O-N 3.08Å; E27-D29 VanDerWaalsContact C-N 3.34Å; E27-D29 PolarHBondContact O-N 2.96Å; D29-F32 WeakPolarHBondContact O-CD2 3.4Å; D29-F32 WeakPolarHBondContact O-CE2 3.22Å
30Q73.6Confident75.7Confident116 Ų11675.3 Ų75.354%0.54236%0.362SS..THydrogen-bonded Turntrans-94.4-12.9168.3-68.7177.715.300113M26 E27 Q28 F32 S36M26-Q30 WeakPolarHBondContact O-CG 3.46Å; M26-Q30 PolarHBondContact O-N 2.59Å; E27-Q30 WeakPolarHBondContact O-CB 3.26Å; E27-Q30 PolarHBondContact O-N 3.24Å; E27-Q30 VanDerWaalsContact O-N 3.12Å; Q28-Q30 PolarHBondContact O-N 3.06Å; Q30-F32 PolarHBondContact O-N 3.13Å; Q30-S36 PolarHBondContact O-OG 3.48Å
31L71.1Confident76.2Confident4 Ų474.8 Ų74.82%0.02136%0.363CS..  trans-79.564.8177.4-64.2170.7000111.9Q28 L39 Y43 R378 H381Q28-L31 WeakPolarHBondContact O-CB 3.44Å; Q28-L31 PolarHBondContact O-N 2.99Å; Q28-L31 VanDerWaalsContact O-N 3.15Å; L31-L39 HydrophobicContact CD2-CD2 3.88Å; L31-L39 HydrophobicContact CD2-CG 4.18Å; L31-Y43 HydrophobicContact CD1-CD2 4.03Å; L31-Y43 HydrophobicContact CD1-CE2 4.3Å; L31-Y43 HydrophobicContact CD2-CD2 3.74Å; L31-Y43 HydrophobicContact CD2-CE2 3.84Å; L31-R378 HydrophobicContact CB-CG 4.41Å; L31-R378 HydrophobicContact CD1-CG 4.47Å; L31-H381 HydrophobicContact CD1-CB 3.54Å
32F77.6Confident77.2Confident65 Ų6580.1 Ų80.129%0.28538%0.383SS..  trans-108.6142.4168.1-69.1-73.6000109.5D29 Q30 W34 K35 S36 T40 H374D29-F32 WeakPolarHBondContact O-CD2 3.4Å; D29-F32 WeakPolarHBondContact O-CE2 3.22Å; Q30-F32 PolarHBondContact O-N 3.13Å; F32-W34 PolarHBondContact O-N 3.39Å; F32-W34 VanDerWaalsContact O-N 3.12Å; F32-K35 HydrophobicContact CB-CB 4.26Å; F32-K35 HydrophobicContact CB-CG 4.2Å; F32-K35 HydrophobicContact CD2-CD 4Å; F32-K35 PolarHBondContact O-N 2.67Å; F32-S36 PolarHBondContact O-N 3.42Å; F32-T40 PolarHBondContact O-OG1 2.84Å; F32-H374 AromaticContact CD1-CE1 3.99Å
33L75.2Confident77.9Confident54 Ų5479.5 Ų79.528%0.28338%0.375SS..THydrogen-bonded Turntrans-53-36.1177.1-171.469.5000111.7P37 H374L33-P37 WeakPolarHBondContact O-CA 3.23Å; L33-P37 WeakPolarHBondContact O-CB 3.48Å; L33-H374 WeakPolarHBondContact CB-NE2 3.46Å; L33-H374 PolarHBondContact N-NE2 3.22Å
34W75.6Confident78.6Confident219 Ų21975.8 Ų75.883%0.8336%0.36SS*.THydrogen-bonded Turntrans-77.2-28.6179.6-48.793.9000114F32F32-W34 PolarHBondContact O-N 3.39Å; F32-W34 VanDerWaalsContact O-N 3.12Å
35K79.9Confident79.3Confident139 Ų13980.2 Ų80.260%0.60438%0.379SS*.THydrogen-bonded Turntrans-89-37.7178.9-67.1-170.9-172.6174.70112F32F32-K35 HydrophobicContact CB-CB 4.26Å; F32-K35 HydrophobicContact CB-CG 4.2Å; F32-K35 HydrophobicContact CD2-CD 4Å; F32-K35 PolarHBondContact O-N 2.67Å
36S80.1Confident80.3Confident30 Ų3078 Ų7821%0.2137%0.37CS..  trans-135.174.3-174-60.70000110.2Q30 F32 L38 T40Q30-S36 PolarHBondContact O-OG 3.48Å; F32-S36 PolarHBondContact O-N 3.42Å; S36-L38 VanDerWaalsContact C-N 3.32Å; S36-L38 PolarHBondContact O-N 3.37Å; S36-T40 WeakPolarHBondContact O-CB 3.47Å; S36-T40 PolarHBondContact O-N 2.9Å; S36-T40 VanDerWaalsContact O-N 3.16Å; S36-T40 PolarHBondContact O-OG1 3.48Å
37P83.2Confident81.1Confident82 Ų8272.3 Ų72.353%0.53234%0.342SS..THydrogen-bonded Turntrans-67.8-25.1-169.125.4-35000114.4L33 P41L33-P37 WeakPolarHBondContact O-CA 3.23Å; L33-P37 WeakPolarHBondContact O-CB 3.48Å; P37-P41 WeakPolarHBondContact O-CD 3.28Å; P37-P41 WeakPolarHBondContact O-CG 3.23Å
38L85.5Confident81.7Confident149 Ų14971.6 Ų71.678%0.7834%0.344SS*.THydrogen-bonded Turntrans-96.6-38.4178.3-62.8176.5000112.7S36 P41 Y42S36-L38 VanDerWaalsContact C-N 3.32Å; S36-L38 PolarHBondContact O-N 3.37Å; L38-P41 WeakPolarHBondContact O-CD 3.32Å; L38-P41 WeakPolarHBondContact O-CG 3.29Å; L38-Y42 VanDerWaalsContact O-CB 3.27Å; L38-Y42 WeakPolarHBondContact O-CB 3.32Å; L38-Y42 PolarHBondContact O-N 2.94Å
39L86.1Confident82.7Confident71 Ų7174 Ų7437%0.37236%0.357SS..Hα-helixtrans-70.5-40.6-176.7-170.666.1000112.2L31 Y42 Y43L31-L39 HydrophobicContact CD2-CD2 3.88Å; L31-L39 HydrophobicContact CD2-CG 4.18Å; L39-Y42 PolarHBondContact O-N 3.42Å; L39-Y43 HydrophobicContact CD1-CD1 4.33Å; L39-Y43 HydrophobicContact CD1-CE1 3.76Å; L39-Y43 HydrophobicContact CD1-CE2 4.01Å; L39-Y43 HydrophobicContact CD2-CE2 4.05Å; L39-Y43 HydrophobicContact CG-CD2 4.2Å; L39-Y43 HydrophobicContact CG-CE1 4.41Å; L39-Y43 HydrophobicContact CG-CE2 3.83Å; L39-Y43 PolarHBondContact O-N 3.31Å
40T85Confident83.6Confident0 Ų073.4 Ų73.40%035%0.351CS..Hα-helixtrans-61-53.9-179.7-51.60000112.4F32 S36 Y42 Y43 F44 I373 A377F32-T40 PolarHBondContact O-OG1 2.84Å; S36-T40 WeakPolarHBondContact O-CB 3.47Å; S36-T40 PolarHBondContact O-N 2.9Å; S36-T40 VanDerWaalsContact O-N 3.16Å; S36-T40 PolarHBondContact O-OG1 3.48Å; T40-Y42 VanDerWaalsContact C-N 3.29Å; T40-Y42 PolarHBondContact O-N 2.85Å; T40-Y43 PolarHBondContact O-N 2.84Å; T40-F44 WeakPolarHBondContact O-CB 3.38Å; T40-F44 PolarHBondContact O-N 3.31Å; T40-I373 HydrophobicContact CG2-CG2 4.31Å; T40-A377 HydrophobicContact CG2-CB 3.75Å; T40-A377 WeakPolarHBondContact O-CB 3.31Å
41P86.5Confident84.1Confident48 Ų4873.1 Ų73.131%0.31235%0.345SS..Hα-helixtrans-66.7-29.5176.926.3-34.8000112.9P37 L38 F44 F45P37-P41 WeakPolarHBondContact O-CD 3.28Å; P37-P41 WeakPolarHBondContact O-CG 3.23Å; L38-P41 WeakPolarHBondContact O-CD 3.32Å; L38-P41 WeakPolarHBondContact O-CG 3.29Å; P41-F44 WeakPolarHBondContact O-CB 3.48Å; P41-F44 PolarHBondContact O-N 3.47Å; P41-F45 WeakPolarHBondContact O-CB 3.26Å; P41-F45 PolarHBondContact O-N 2.81Å
42Y89.1Confident84.9Confident130 Ų13078.2 Ų78.251%0.5137%0.367SS..Hα-helixtrans-63-50173.9176.9-109.4000111.8L38 L39 T40 F44 F45 L46L38-Y42 VanDerWaalsContact O-CB 3.27Å; L38-Y42 WeakPolarHBondContact O-CB 3.32Å; L38-Y42 PolarHBondContact O-N 2.94Å; L39-Y42 PolarHBondContact O-N 3.42Å; T40-Y42 VanDerWaalsContact C-N 3.29Å; T40-Y42 PolarHBondContact O-N 2.85Å; Y42-F44 VanDerWaalsContact C-N 3.34Å; Y42-F44 PolarHBondContact O-N 3.41Å; Y42-F45 PolarHBondContact O-N 3.01Å; Y42-L46 HydrophobicContact CD1-CD1 4.04Å; Y42-L46 HydrophobicContact CE1-CD1 3.49Å; Y42-L46 VanDerWaalsContact CE1-CD1 3.49Å; Y42-L46 HydrophobicContact CE1-CG 4.44Å; Y42-L46 HydrophobicContact CE2-CD1 4.12Å; Y42-L46 HydrophobicContact CE2-CG 4.32Å; Y42-L46 WeakPolarHBondContact O-CG 3.34Å; Y42-L46 PolarHBondContact O-N 3.4Å
43Y87.4Confident85.3Confident38 Ų3878.5 Ų78.515%0.14937%0.374CS..Hα-helixtrans-63.9-38.5175.1-73.8-8.6000112.8L31 L39 T40 L46 E47 Y380 H381L31-Y43 HydrophobicContact CD1-CD2 4.03Å; L31-Y43 HydrophobicContact CD1-CE2 4.3Å; L31-Y43 HydrophobicContact CD2-CD2 3.74Å; L31-Y43 HydrophobicContact CD2-CE2 3.84Å; L39-Y43 HydrophobicContact CD1-CD1 4.33Å; L39-Y43 HydrophobicContact CD1-CE1 3.76Å; L39-Y43 HydrophobicContact CD1-CE2 4.01Å; L39-Y43 HydrophobicContact CD2-CE2 4.05Å; L39-Y43 HydrophobicContact CG-CD2 4.2Å; L39-Y43 HydrophobicContact CG-CE1 4.41Å; L39-Y43 HydrophobicContact CG-CE2 3.83Å; L39-Y43 PolarHBondContact O-N 3.31Å; T40-Y43 PolarHBondContact O-N 2.84Å; Y43-L46 PolarHBondContact O-N 3.31Å; Y43-E47 PolarHBondContact O-N 2.8Å; Y43-Y380 AromaticContact CD1-CD1 3.61Å; Y43-Y380 HydrophobicContact CD1-CD1 3.61Å; Y43-Y380 AromaticContact CD1-CE1 3.92Å; Y43-Y380 HydrophobicContact CD1-CE1 3.92Å; Y43-Y380 HydrophobicContact CE1-CD1 4.24Å; Y43-Y380 HydrophobicContact CE1-CE1 4.29Å; Y43-Y380 AromaticContact CG-CD1 3.79Å; Y43-Y380 HydrophobicContact CG-CD1 3.79Å; Y43-Y380 WeakPolarHBondContact O-CB 3.4Å; Y43-H381 HydrophobicContact CD2-CB 4.31Å; Y43-H381 HydrophobicContact CE2-CB 4.35Å
44F87.3Confident85.8Confident56 Ų5680 Ų8025%0.24638%0.38CS..Hα-helixtrans-55.9-50170.8165.9-94.3000111.6T40 P41 Y42 L46 E47 C48 I373 L376 A377T40-F44 WeakPolarHBondContact O-CB 3.38Å; T40-F44 PolarHBondContact O-N 3.31Å; P41-F44 WeakPolarHBondContact O-CB 3.48Å; P41-F44 PolarHBondContact O-N 3.47Å; Y42-F44 VanDerWaalsContact C-N 3.34Å; Y42-F44 PolarHBondContact O-N 3.41Å; F44-L46 PolarHBondContact O-N 3.02Å; F44-E47 PolarHBondContact O-N 3.19Å; F44-C48 PolarHBondContact O-N 3.36Å; F44-C48 PolarHBondContact O-SG 3.04Å; F44-C48 VanDerWaalsContact O-SG 3.35Å; F44-I373 HydrophobicContact CB-CG2 4.22Å; F44-I373 HydrophobicContact CD2-CB 4.21Å; F44-I373 HydrophobicContact CD2-CG1 4.13Å; F44-I373 HydrophobicContact CD2-CG2 4.2Å; F44-I373 HydrophobicContact CE2-CG1 3.98Å; F44-I373 HydrophobicContact CG-CG2 4.2Å; F44-I373 HydrophobicContact CZ-CG1 4.35Å; F44-L376 HydrophobicContact CD2-CB 3.69Å; F44-L376 HydrophobicContact CD2-CD1 3.85Å; F44-L376 HydrophobicContact CD2-CG 4.43Å; F44-L376 HydrophobicContact CE2-CB 4.23Å; F44-L376 HydrophobicContact CE2-CD1 3.48Å; F44-L376 VanDerWaalsContact CE2-CD1 3.48Å; F44-L376 HydrophobicContact CE2-CG 4.49Å; F44-A377 HydrophobicContact CB-CB 4.39Å
45F90Very high86.2Confident122 Ų12274.4 Ų74.454%0.53537%0.366SS..Hα-helixtrans-63.6-40.1-178.9-177.7-106.9000112.3P41 Y42 C48 I49P41-F45 WeakPolarHBondContact O-CB 3.26Å; P41-F45 PolarHBondContact O-N 2.81Å; Y42-F45 PolarHBondContact O-N 3.01Å; F45-C48 WeakPolarHBondContact O-CB 3.27Å; F45-C48 PolarHBondContact O-N 2.85Å; F45-I49 HydrophobicContact CD1-CD1 3.73Å; F45-I49 HydrophobicContact CD1-CG1 4.49Å; F45-I49 HydrophobicContact CE1-CD1 3.28Å; F45-I49 HydrophobicContact CE1-CG1 4.19Å; F45-I49 HydrophobicContact CZ-CD1 3.75Å; F45-I49 HydrophobicContact CZ-CG1 4.29Å; F45-I49 WeakPolarHBondContact O-CG1 3.35Å; F45-I49 PolarHBondContact O-N 2.94Å
46L90Very high86.3Confident37 Ų3774.8 Ų74.819%0.19436%0.363CS..Hα-helixtrans-65.3-40.4175.6-68.4178.3000112.7Y42 Y43 F44 C48 I49 F50 Y380Y42-L46 HydrophobicContact CD1-CD1 4.04Å; Y42-L46 HydrophobicContact CE1-CD1 3.49Å; Y42-L46 VanDerWaalsContact CE1-CD1 3.49Å; Y42-L46 HydrophobicContact CE1-CG 4.44Å; Y42-L46 HydrophobicContact CE2-CD1 4.12Å; Y42-L46 HydrophobicContact CE2-CG 4.32Å; Y42-L46 WeakPolarHBondContact O-CG 3.34Å; Y42-L46 PolarHBondContact O-N 3.4Å; Y43-L46 PolarHBondContact O-N 3.31Å; F44-L46 PolarHBondContact O-N 3.02Å; L46-C48 VanDerWaalsContact C-N 3.32Å; L46-I49 PolarHBondContact O-N 2.88Å; L46-F50 WeakPolarHBondContact O-CB 3.29Å; L46-F50 PolarHBondContact O-N 3.47Å; L46-Y380 HydrophobicContact CB-CD1 4.34Å; L46-Y380 HydrophobicContact CB-CD2 3.87Å; L46-Y380 HydrophobicContact CB-CE1 4Å; L46-Y380 HydrophobicContact CB-CE2 3.5Å; L46-Y380 HydrophobicContact CB-CG 4.28Å; L46-Y380 HydrophobicContact CD1-CD1 4.42Å; L46-Y380 HydrophobicContact CD1-CE1 3.59Å; L46-Y380 HydrophobicContact CD1-CE2 4.38Å; L46-Y380 HydrophobicContact CG-CE1 4.48Å
47E87.3Confident86.5Confident0 Ų080.3 Ų80.30%038%0.384CS..Hα-helixtrans-64.9-39.3172.9-169.566.5-169.800110.8Y43 F44 I49 F50 R51 L376 S379 Y380 R383Y43-E47 PolarHBondContact O-N 2.8Å; F44-E47 PolarHBondContact O-N 3.19Å; E47-I49 VanDerWaalsContact C-N 3.34Å; E47-I49 PolarHBondContact O-N 3.47Å; E47-F50 PolarHBondContact O-N 3.42Å; E47-R51 HydrophobicContact CG-CG 4.18Å; E47-R51 WeakPolarHBondContact O-CB 3.29Å; E47-R51 VanDerWaalsContact O-CG 3.24Å; E47-R51 WeakPolarHBondContact O-CG 3.4Å; E47-R51 PolarHBondContact O-N 3.17Å; E47-R51 IonicContact OE1-CZ 2.88Å; E47-R51 IonicContact OE1-NE 2.65Å; E47-R51 PolarHBondContact OE1-NE 2.92Å; E47-R51 IonicContact OE1-NH2 3.33Å; E47-R51 PolarHBondContact OE1-NH2 2.65Å; E47-L376 HydrophobicContact CG-CD2 4.07Å; E47-S379 PolarHBondContact OE1-OG 3.44Å; E47-Y380 HydrophobicContact CB-CD2 4.09Å; E47-Y380 HydrophobicContact CB-CG 4.46Å; E47-Y380 WeakPolarHBondContact OE2-CA 3.45Å; E47-Y380 WeakPolarHBondContact OE2-CD2 3.14Å; E47-R383 IonicContact OE1-CZ 3.03Å; E47-R383 IonicContact OE1-NE 2.86Å; E47-R383 IonicContact OE1-NH2 2.68Å; E47-R383 PolarHBondContact OE1-NH2 2.76Å; E47-R383 IonicContact OE2-NE 3.92Å; E47-R383 PolarHBondContact OE2-NE 3.09Å; E47-R383 IonicContact OE2-NH2 3.34Å
48C87.4Confident86.5Confident49 Ų4979.2 Ų79.233%0.33138%0.376SS..Hα-helixtrans-58.5-45.2173.9-72.10000111.7F44 F45 L46 R51 F52F44-C48 PolarHBondContact O-N 3.36Å; F44-C48 PolarHBondContact O-SG 3.04Å; F44-C48 VanDerWaalsContact O-SG 3.35Å; F45-C48 WeakPolarHBondContact O-CB 3.27Å; F45-C48 PolarHBondContact O-N 2.85Å; L46-C48 VanDerWaalsContact C-N 3.32Å; C48-R51 PolarHBondContact O-N 2.67Å; C48-F52 VanDerWaalsContact O-CB 3.3Å; C48-F52 WeakPolarHBondContact O-CB 3.29Å; C48-F52 PolarHBondContact O-N 3.31Å
49I90.3Very high86.2Confident76 Ų7674.8 Ų74.839%0.3936%0.355SS..Hα-helixtrans-60.8-49.3174.9-70.3170.5000110.5F45 L46 E47 R51 F52 T53F45-I49 HydrophobicContact CD1-CD1 3.73Å; F45-I49 HydrophobicContact CD1-CG1 4.49Å; F45-I49 HydrophobicContact CE1-CD1 3.28Å; F45-I49 HydrophobicContact CE1-CG1 4.19Å; F45-I49 HydrophobicContact CZ-CD1 3.75Å; F45-I49 HydrophobicContact CZ-CG1 4.29Å; F45-I49 WeakPolarHBondContact O-CG1 3.35Å; F45-I49 PolarHBondContact O-N 2.94Å; L46-I49 PolarHBondContact O-N 2.88Å; E47-I49 VanDerWaalsContact C-N 3.34Å; E47-I49 PolarHBondContact O-N 3.47Å; I49-R51 VanDerWaalsContact C-N 3.33Å; I49-R51 PolarHBondContact O-N 2.92Å; I49-F52 WeakPolarHBondContact O-CB 3.45Å; I49-F52 PolarHBondContact O-N 3.49Å; I49-F52 VanDerWaalsContact O-N 3.13Å; I49-T53 HydrophobicContact CG2-CG2 4.35Å; I49-T53 WeakPolarHBondContact O-CG2 3.22Å; I49-T53 PolarHBondContact O-N 3.06Å; I49-T53 PolarHBondContact O-OG1 3.33Å
50F87.3Confident86Confident56 Ų5677.5 Ų77.525%0.24637%0.369CS..Hα-helixtrans-60.2-42.6-179-179.1-93.2000112.2L46 E47 F52 T53 Q54 W387L46-F50 WeakPolarHBondContact O-CB 3.29Å; L46-F50 PolarHBondContact O-N 3.47Å; E47-F50 PolarHBondContact O-N 3.42Å; F50-F52 VanDerWaalsContact C-N 3.33Å; F50-T53 WeakPolarHBondContact CA-OG1 3.43Å; F50-T53 PolarHBondContact O-N 2.84Å; F50-T53 PolarHBondContact O-OG1 2.67Å; F50-Q54 WeakPolarHBondContact O-CB 3.41Å; F50-Q54 PolarHBondContact O-N 3.2Å; F50-W387 AromaticContact CD2-CH2 3.99Å; F50-W387 HydrophobicContact CD2-CH2 3.99Å; F50-W387 HydrophobicContact CD2-CZ2 4.25Å; F50-W387 AromaticContact CE2-CH2 3.94Å; F50-W387 HydrophobicContact CE2-CH2 3.94Å; F50-W387 AromaticContact CE2-CZ2 3.71Å; F50-W387 HydrophobicContact CE2-CZ2 3.71Å; F50-W387 HydrophobicContact CZ-CZ2 4.25Å
51R85Confident85.9Confident110 Ų11084.2 Ų84.242%0.41540%0.4SS..Hα-helixtrans-68.5-35176.1-65.9-59.7-178.6164.511.6111.8E47 C48 I49 Q54 L55 R383E47-R51 HydrophobicContact CG-CG 4.18Å; E47-R51 WeakPolarHBondContact O-CB 3.29Å; E47-R51 VanDerWaalsContact O-CG 3.24Å; E47-R51 WeakPolarHBondContact O-CG 3.4Å; E47-R51 PolarHBondContact O-N 3.17Å; E47-R51 IonicContact OE1-CZ 2.88Å; E47-R51 IonicContact OE1-NE 2.65Å; E47-R51 PolarHBondContact OE1-NE 2.92Å; E47-R51 IonicContact OE1-NH2 3.33Å; E47-R51 PolarHBondContact OE1-NH2 2.65Å; C48-R51 PolarHBondContact O-N 2.67Å; I49-R51 VanDerWaalsContact C-N 3.33Å; I49-R51 PolarHBondContact O-N 2.92Å; R51-Q54 VanDerWaalsContact NH1-OE1 3.11Å; R51-Q54 PolarHBondContact O-N 3.29Å; R51-L55 VanDerWaalsContact O-CB 3.3Å; R51-L55 WeakPolarHBondContact O-CB 3.16Å; R51-L55 PolarHBondContact O-N 3.5Å; R51-R383 VanDerWaalsContact CZ-NH2 3.35Å; R51-R383 VanDerWaalsContact NH2-NH2 3.11Å
52F87Confident85.8Confident112 Ų11283.8 Ų83.849%0.49140%0.396SS..Hα-helixtrans-67.5-41.9175.1-164.7-114.9000112C48 I49 F50 L55 R56C48-F52 VanDerWaalsContact O-CB 3.3Å; C48-F52 WeakPolarHBondContact O-CB 3.29Å; C48-F52 PolarHBondContact O-N 3.31Å; I49-F52 WeakPolarHBondContact O-CB 3.45Å; I49-F52 PolarHBondContact O-N 3.49Å; I49-F52 VanDerWaalsContact O-N 3.13Å; F50-F52 VanDerWaalsContact C-N 3.33Å; F52-L55 PolarHBondContact O-N 3.42Å; F52-R56 WeakPolarHBondContact O-CG 3.39Å; F52-R56 PolarHBondContact O-N 2.83Å
53T86.9Confident85.4Confident70 Ų7084.9 Ų84.943%0.42940%0.403SS..Hα-helixtrans-67-40.3175.255.80000111.5I49 F50 R56 F57I49-T53 HydrophobicContact CG2-CG2 4.35Å; I49-T53 WeakPolarHBondContact O-CG2 3.22Å; I49-T53 PolarHBondContact O-N 3.06Å; I49-T53 PolarHBondContact O-OG1 3.33Å; F50-T53 WeakPolarHBondContact CA-OG1 3.43Å; F50-T53 PolarHBondContact O-N 2.84Å; F50-T53 PolarHBondContact O-OG1 2.67Å; T53-R56 PolarHBondContact O-N 3.45Å; T53-F57 PolarHBondContact O-N 2.93Å
54Q85.4Confident85.1Confident87 Ų8788.6 Ų88.641%0.40743%0.429SS..Hα-helixtrans-59.8-46.6172.8-173.2178.219.300111.3F50 R51 R56 F57 T58F50-Q54 WeakPolarHBondContact O-CB 3.41Å; F50-Q54 PolarHBondContact O-N 3.2Å; R51-Q54 VanDerWaalsContact NH1-OE1 3.11Å; R51-Q54 PolarHBondContact O-N 3.29Å; Q54-R56 VanDerWaalsContact C-N 3.34Å; Q54-R56 PolarHBondContact O-N 3.37Å; Q54-F57 PolarHBondContact O-N 3.22Å; Q54-T58 PolarHBondContact O-N 3.5Å; Q54-T58 PolarHBondContact O-OG1 3.44Å; Q54-T58 VanDerWaalsContact O-OG1 3.09Å
55L83Confident84.9Confident100 Ų10093.1 Ų93.152%0.52445%0.445SS..Hα-helixtrans-58.2-46.4176.2177.163000111R51 F52 F57 T58 V59R51-L55 VanDerWaalsContact O-CB 3.3Å; R51-L55 WeakPolarHBondContact O-CB 3.16Å; R51-L55 PolarHBondContact O-N 3.5Å; F52-L55 PolarHBondContact O-N 3.42Å; L55-F57 PolarHBondContact O-N 3.14Å; L55-T58 PolarHBondContact O-N 3.36Å; L55-V59 HydrophobicContact CD1-CG2 4.06Å; L55-V59 HydrophobicContact CG-CG2 4.31Å; L55-V59 VanDerWaalsContact O-CB 3.31Å; L55-V59 WeakPolarHBondContact O-CB 3.49Å; L55-V59 WeakPolarHBondContact O-CG2 3.34Å; L55-V59 PolarHBondContact O-N 3.18Å
56R82.8Confident84.6Confident148 Ų14888.8 Ų88.856%0.55843%0.43SS*.Hα-helixtrans-57.5-48.8175.4-70.7-167.8-152.4-166.315111.1F52 T53 Q54 T58 V59 L60F52-R56 WeakPolarHBondContact O-CG 3.39Å; F52-R56 PolarHBondContact O-N 2.83Å; T53-R56 PolarHBondContact O-N 3.45Å; Q54-R56 VanDerWaalsContact C-N 3.34Å; Q54-R56 PolarHBondContact O-N 3.37Å; R56-T58 VanDerWaalsContact C-N 3.35Å; R56-T58 PolarHBondContact O-N 2.9Å; R56-V59 WeakPolarHBondContact O-CB 3.35Å; R56-V59 PolarHBondContact O-N 2.88Å; R56-L60 HydrophobicContact CB-CD1 4.42Å; R56-L60 WeakPolarHBondContact O-CD1 3.5Å; R56-L60 PolarHBondContact O-N 2.91Å
57F84.4Confident84.3Confident145 Ų14591.3 Ų91.364%0.63645%0.446SS*.Hα-helixtrans-60-44.7179.8-172.1-95.6000111.9T53 Q54 L55 V59 L60 Q61T53-F57 PolarHBondContact O-N 2.93Å; Q54-F57 PolarHBondContact O-N 3.22Å; L55-F57 PolarHBondContact O-N 3.14Å; F57-V59 PolarHBondContact O-N 3.18Å; F57-L60 PolarHBondContact O-N 3.3Å; F57-Q61 WeakPolarHBondContact O-CB 3.25Å; F57-Q61 PolarHBondContact O-N 2.9Å
58T82.5Confident84.3Confident60 Ų6094.4 Ų94.437%0.36847%0.468SS..Hα-helixtrans-64.3-37.6176.3-570000112.8Q54 L55 R56 N62Q54-T58 PolarHBondContact O-N 3.5Å; Q54-T58 PolarHBondContact O-OG1 3.44Å; Q54-T58 VanDerWaalsContact O-OG1 3.09Å; L55-T58 PolarHBondContact O-N 3.36Å; R56-T58 VanDerWaalsContact C-N 3.35Å; R56-T58 PolarHBondContact O-N 2.9Å; T58-N62 WeakPolarHBondContact O-CB 3.29Å; T58-N62 PolarHBondContact O-N 2.93Å; T58-N62 PolarHBondContact O-ND2 3.14Å
59V80.5Confident84.3Confident56 Ų5694.2 Ų94.234%0.33947%0.47SS..Hα-helixtrans-65.1-44.8174.8159.30000110.9L55 R56 F57 N62 K63 C66L55-V59 HydrophobicContact CD1-CG2 4.06Å; L55-V59 HydrophobicContact CG-CG2 4.31Å; L55-V59 VanDerWaalsContact O-CB 3.31Å; L55-V59 WeakPolarHBondContact O-CB 3.49Å; L55-V59 WeakPolarHBondContact O-CG2 3.34Å; L55-V59 PolarHBondContact O-N 3.18Å; R56-V59 WeakPolarHBondContact O-CB 3.35Å; R56-V59 PolarHBondContact O-N 2.88Å; F57-V59 PolarHBondContact O-N 3.18Å; V59-N62 CarbonylContact O-C 3.43Å; V59-N62 VanDerWaalsContact O-C 3.29Å; V59-N62 PolarHBondContact O-N 3.39Å; V59-K63 PolarHBondContact O-N 2.9Å; V59-C66 HydrophobicContact CG1-CB 4.03Å; V59-C66 VanDerWaalsContact CG1-SG 3.57Å
60L81.4Confident84.1Confident128 Ų12895.3 Ų95.367%0.6748%0.476SS*.Hα-helixtrans-63.6-42.9176.3-90.284000111.6R56 F57 N62 K63R56-L60 HydrophobicContact CB-CD1 4.42Å; R56-L60 WeakPolarHBondContact O-CD1 3.5Å; R56-L60 PolarHBondContact O-N 2.91Å; F57-L60 PolarHBondContact O-N 3.3Å; L60-N62 VanDerWaalsContact C-N 3.31Å; L60-N62 PolarHBondContact O-N 3.27Å; L60-K63 PolarHBondContact O-N 3.38Å
61Q83.5Confident84.3Confident140 Ų14094.4 Ų94.465%0.65448%0.482SS*.Hα-helixtrans-65.3-35.6178.3-166.9178.317.500112F57F57-Q61 WeakPolarHBondContact O-CB 3.25Å; F57-Q61 PolarHBondContact O-N 2.9Å
62N83.2Confident84.6Confident40 Ų4094 Ų9421%0.21449%0.487CS..THydrogen-bonded Turntrans-102.141.3177.8-66.8-50.1000112.4T58 V59 L60 T64 R65 C66T58-N62 WeakPolarHBondContact O-CB 3.29Å; T58-N62 PolarHBondContact O-N 2.93Å; T58-N62 PolarHBondContact O-ND2 3.14Å; V59-N62 CarbonylContact O-C 3.43Å; V59-N62 VanDerWaalsContact O-C 3.29Å; V59-N62 PolarHBondContact O-N 3.39Å; L60-N62 VanDerWaalsContact C-N 3.31Å; L60-N62 PolarHBondContact O-N 3.27Å; N62-T64 PolarHBondContact O-N 3.04Å; N62-R65 PolarHBondContact ND2-NH1 3.38Å; N62-R65 PolarHBondContact O-N 3Å; N62-R65 PolarHBondContact OD1-NH1 3.42Å; N62-R65 PolarHBondContact OD1-NH2 3.42Å; N62-C66 PolarHBondContact O-N 2.98Å
63K81Confident84.7Confident152 Ų15293.5 Ų93.566%0.66149%0.488SS*.Hα-helixtrans-46-40.5-175.3-171178.5-179.9-177.80113.4V59 L60 C66 V67V59-K63 PolarHBondContact O-N 2.9Å; L60-K63 PolarHBondContact O-N 3.38Å; K63-C66 PolarHBondContact O-N 3.21Å; K63-V67 HydrophobicContact CG-CG2 4.26Å; K63-V67 WeakPolarHBondContact O-CB 3.41Å; K63-V67 VanDerWaalsContact O-CG2 3.25Å; K63-V67 WeakPolarHBondContact O-CG2 3.46Å; K63-V67 PolarHBondContact O-N 3.48Å
64T81.6Confident84.8Confident116 Ų11695.4 Ų95.471%0.71250%0.495SS*.Hα-helixtrans-62.5-45.9179.751.20000113N62 C66 V67 S68N62-T64 PolarHBondContact O-N 3.04Å; T64-C66 VanDerWaalsContact C-N 3.31Å; T64-C66 PolarHBondContact O-N 3.48Å; T64-V67 PolarHBondContact O-N 2.98Å; T64-S68 PolarHBondContact O-N 2.87Å; T64-S68 PolarHBondContact O-OG 3.34Å
65R82.4Confident85Confident152 Ų15295.8 Ų95.857%0.57450%0.5SS*.Hα-helixtrans-67.1-34.3177.7-64.9-165.2-132.5105.612.9112N62 S68 A69N62-R65 PolarHBondContact ND2-NH1 3.38Å; N62-R65 PolarHBondContact O-N 3Å; N62-R65 PolarHBondContact OD1-NH1 3.42Å; N62-R65 PolarHBondContact OD1-NH2 3.42Å; R65-S68 WeakPolarHBondContact CA-OG 3.15Å; R65-S68 PolarHBondContact O-OG 2.99Å; R65-A69 WeakPolarHBondContact O-CB 3.23Å; R65-A69 PolarHBondContact O-N 3.37Å
66C83.5Confident85.2Confident31 Ų3195.2 Ų95.221%0.20950%0.496CS..Hα-helixtrans-72.4-42.4177.3-65.60000111.6V59 N62 K63 T64 S68 A69 I70V59-C66 HydrophobicContact CG1-CB 4.03Å; V59-C66 VanDerWaalsContact CG1-SG 3.57Å; N62-C66 PolarHBondContact O-N 2.98Å; K63-C66 PolarHBondContact O-N 3.21Å; T64-C66 VanDerWaalsContact C-N 3.31Å; T64-C66 PolarHBondContact O-N 3.48Å; C66-S68 VanDerWaalsContact C-N 3.32Å; C66-S68 PolarHBondContact O-N 3.07Å; C66-A69 PolarHBondContact O-N 2.92Å; C66-I70 WeakPolarHBondContact O-CB 3.27Å; C66-I70 VanDerWaalsContact O-CG1 3.22Å; C66-I70 WeakPolarHBondContact O-CG1 3.49Å; C66-I70 PolarHBondContact O-N 2.86Å
67V84.7Confident85.3Confident90 Ų9092.3 Ų92.355%0.54550%0.495SS..Hα-helixtrans-62.2-40.4172.9171.40000110.8K63 T64 G71K63-V67 HydrophobicContact CG-CG2 4.26Å; K63-V67 WeakPolarHBondContact O-CB 3.41Å; K63-V67 VanDerWaalsContact O-CG2 3.25Å; K63-V67 WeakPolarHBondContact O-CG2 3.46Å; K63-V67 PolarHBondContact O-N 3.48Å; T64-V67 PolarHBondContact O-N 2.98Å; V67-G71 PolarHBondContact O-N 2.82Å
68S85.8Confident85.4Confident64 Ų6490.2 Ų90.245%0.44849%0.486SS..Hα-helixtrans-66.1-40.8174.963.90000112.3T64 R65 C66 G71 I72T64-S68 PolarHBondContact O-N 2.87Å; T64-S68 PolarHBondContact O-OG 3.34Å; R65-S68 WeakPolarHBondContact CA-OG 3.15Å; R65-S68 PolarHBondContact O-OG 2.99Å; C66-S68 VanDerWaalsContact C-N 3.32Å; C66-S68 PolarHBondContact O-N 3.07Å; S68-G71 PolarHBondContact O-N 2.85Å; S68-I72 WeakPolarHBondContact O-CD1 3.45Å; S68-I72 WeakPolarHBondContact O-CG1 3.26Å; S68-I72 PolarHBondContact O-N 3.28Å
69A87.6Confident85.5Confident46 Ų4689.5 Ų89.538%0.3848%0.48SS..Hα-helixtrans-65-45.417700000111.9R65 C66 G71 I72 I73R65-A69 WeakPolarHBondContact O-CB 3.23Å; R65-A69 PolarHBondContact O-N 3.37Å; C66-A69 PolarHBondContact O-N 2.92Å; A69-G71 VanDerWaalsContact C-N 3.33Å; A69-G71 PolarHBondContact O-N 3.44Å; A69-I72 PolarHBondContact O-N 3.42Å; A69-I73 VanDerWaalsContact O-CG1 3.31Å; A69-I73 WeakPolarHBondContact O-CG1 3.41Å; A69-I73 PolarHBondContact O-N 2.99Å
70I87.7Confident85.7Confident99 Ų9990.7 Ų90.751%0.50848%0.484SS..Hα-helixtrans-62.2-43.1174.7-67.1165.1000110C66 I72 I73 L74C66-I70 WeakPolarHBondContact O-CB 3.27Å; C66-I70 VanDerWaalsContact O-CG1 3.22Å; C66-I70 WeakPolarHBondContact O-CG1 3.49Å; C66-I70 PolarHBondContact O-N 2.86Å; I70-I72 VanDerWaalsContact C-N 3.35Å; I70-I72 PolarHBondContact O-N 2.82Å; I70-I73 PolarHBondContact O-N 3.27Å; I70-L74 HydrophobicContact CG2-CD1 3.81Å; I70-L74 HydrophobicContact CG2-CG 4.2Å; I70-L74 WeakPolarHBondContact O-CB 3.33Å; I70-L74 VanDerWaalsContact O-CG 3.29Å; I70-L74 WeakPolarHBondContact O-CG 3.29Å; I70-L74 PolarHBondContact O-N 2.89Å
71G90.1Very high85.8Confident36 Ų3689.2 Ų89.237%0.37148%0.483SS..Hα-helixtrans-60.6-41176.200000112.8V67 S68 A69 L75V67-G71 PolarHBondContact O-N 2.82Å; S68-G71 PolarHBondContact O-N 2.85Å; A69-G71 VanDerWaalsContact C-N 3.33Å; A69-G71 PolarHBondContact O-N 3.44Å; G71-L75 VanDerWaalsContact O-CB 3.26Å; G71-L75 WeakPolarHBondContact O-CB 3.38Å; G71-L75 PolarHBondContact O-N 2.87Å
72I90.7Very high85.8Confident101 Ų10188.1 Ų88.152%0.51848%0.477SS..Hα-helixtrans-65.8-44.6174.4-68.5162.1000110.8S68 A69 I70 L75 L76S68-I72 WeakPolarHBondContact O-CD1 3.45Å; S68-I72 WeakPolarHBondContact O-CG1 3.26Å; S68-I72 PolarHBondContact O-N 3.28Å; A69-I72 PolarHBondContact O-N 3.42Å; I70-I72 VanDerWaalsContact C-N 3.35Å; I70-I72 PolarHBondContact O-N 2.82Å; I72-L75 WeakPolarHBondContact O-CB 3.3Å; I72-L75 PolarHBondContact O-N 2.8Å; I72-L76 HydrophobicContact CG2-CD1 4.16Å; I72-L76 HydrophobicContact CG2-CG 4.45Å; I72-L76 VanDerWaalsContact O-CG 3.3Å; I72-L76 WeakPolarHBondContact O-CG 3.22Å; I72-L76 PolarHBondContact O-N 2.91Å
73I90.1Very high85.7Confident102 Ų10295.5 Ų95.552%0.52351%0.51SS..Hα-helixtrans-62-46.5177.5-68165.3000110.4A69 I70 L75 L76 V77A69-I73 VanDerWaalsContact O-CG1 3.31Å; A69-I73 WeakPolarHBondContact O-CG1 3.41Å; A69-I73 PolarHBondContact O-N 2.99Å; I70-I73 PolarHBondContact O-N 3.27Å; I73-L75 VanDerWaalsContact C-N 3.31Å; I73-L75 PolarHBondContact O-N 3.35Å; I73-L76 PolarHBondContact O-N 3.45Å; I73-V77 HydrophobicContact CG2-CG2 4.46Å; I73-V77 WeakPolarHBondContact O-CG2 3.39Å; I73-V77 PolarHBondContact O-N 2.87Å
74L89.8Confident85.7Confident111 Ų11189.2 Ų89.258%0.58149%0.488SS*.Hα-helixtrans-62.3-38.7176.6-72174000111.7I70 V77 F78I70-L74 HydrophobicContact CG2-CD1 3.81Å; I70-L74 HydrophobicContact CG2-CG 4.2Å; I70-L74 WeakPolarHBondContact O-CB 3.33Å; I70-L74 VanDerWaalsContact O-CG 3.29Å; I70-L74 WeakPolarHBondContact O-CG 3.29Å; I70-L74 PolarHBondContact O-N 2.89Å; L74-V77 PolarHBondContact O-N 3.2Å; L74-F78 WeakPolarHBondContact O-CB 3.45Å; L74-F78 PolarHBondContact O-N 2.76Å
75L88.3Confident85.7Confident95 Ų9590.2 Ų90.250%0.49750%0.497SS..Hα-helixtrans-63.3-43.8173.7178.663.7000111.4G71 I72 I73 F78 L79G71-L75 VanDerWaalsContact O-CB 3.26Å; G71-L75 WeakPolarHBondContact O-CB 3.38Å; G71-L75 PolarHBondContact O-N 2.87Å; I72-L75 WeakPolarHBondContact O-CB 3.3Å; I72-L75 PolarHBondContact O-N 2.8Å; I73-L75 VanDerWaalsContact C-N 3.31Å; I73-L75 PolarHBondContact O-N 3.35Å; L75-F78 WeakPolarHBondContact O-CB 3.3Å; L75-F78 PolarHBondContact O-N 3.45Å; L75-L79 HydrophobicContact CD1-CD1 4.39Å; L75-L79 HydrophobicContact CD1-CG 4.3Å; L75-L79 HydrophobicContact CG-CD1 4.15Å; L75-L79 HydrophobicContact CG-CG 4.47Å; L75-L79 WeakPolarHBondContact O-CB 3.41Å; L75-L79 VanDerWaalsContact O-CG 3.23Å; L75-L79 WeakPolarHBondContact O-CG 3.21Å; L75-L79 PolarHBondContact O-N 3.3Å
76L87Confident85.7Confident87 Ų8786.1 Ų86.146%0.45548%0.484SS..Hα-helixtrans-63.8-41.4176.6-69.2172.4000111.8I72 I73 F78 L79 D80 F90I72-L76 HydrophobicContact CG2-CD1 4.16Å; I72-L76 HydrophobicContact CG2-CG 4.45Å; I72-L76 VanDerWaalsContact O-CG 3.3Å; I72-L76 WeakPolarHBondContact O-CG 3.22Å; I72-L76 PolarHBondContact O-N 2.91Å; I73-L76 PolarHBondContact O-N 3.45Å; L76-F78 VanDerWaalsContact C-N 3.34Å; L76-L79 PolarHBondContact O-N 2.93Å; L76-D80 WeakPolarHBondContact O-CB 3.46Å; L76-D80 PolarHBondContact O-N 3.39Å; L76-F90 HydrophobicContact CD2-CE2 3.9Å; L76-F90 HydrophobicContact CD2-CZ 4.33Å
77V86.4Confident85.6Confident87 Ų8786.5 Ų86.553%0.52749%0.487SS..Hα-helixtrans-65.4-39.4174.5172.40000111I73 L74 D80 C81I73-V77 HydrophobicContact CG2-CG2 4.46Å; I73-V77 WeakPolarHBondContact O-CG2 3.39Å; I73-V77 PolarHBondContact O-N 2.87Å; L74-V77 PolarHBondContact O-N 3.2Å; V77-D80 PolarHBondContact O-N 3.16Å; V77-C81 VanDerWaalsContact O-CB 3.31Å; V77-C81 WeakPolarHBondContact O-CB 3.34Å; V77-C81 PolarHBondContact O-N 3.18Å
78F86.4Confident85.6Confident101 Ų10188.3 Ų88.344%0.44349%0.489SS..Hα-helixtrans-62.5-47.1174.7179.1-89.2000111.1L74 L75 L76 D80 C81 F82L74-F78 WeakPolarHBondContact O-CB 3.45Å; L74-F78 PolarHBondContact O-N 2.76Å; L75-F78 WeakPolarHBondContact O-CB 3.3Å; L75-F78 PolarHBondContact O-N 3.45Å; L76-F78 VanDerWaalsContact C-N 3.34Å; F78-D80 PolarHBondContact O-N 2.82Å; F78-C81 PolarHBondContact O-N 3.44Å; F78-F82 HydrophobicContact CD1-CD2 4.17Å; F78-F82 AromaticContact CD2-CD2 3.32Å; F78-F82 HydrophobicContact CD2-CD2 3.32Å; F78-F82 AromaticContact CD2-CE2 3.2Å; F78-F82 HydrophobicContact CD2-CE2 3.2Å; F78-F82 HydrophobicContact CD2-CG 4.36Å; F78-F82 HydrophobicContact CD2-CZ 4.16Å; F78-F82 HydrophobicContact CE1-CD2 4.11Å; F78-F82 HydrophobicContact CE1-CG 4.33Å; F78-F82 HydrophobicContact CE2-CD1 4.4Å; F78-F82 AromaticContact CE2-CD2 3.25Å; F78-F82 HydrophobicContact CE2-CD2 3.25Å; F78-F82 HydrophobicContact CE2-CE1 4.24Å; F78-F82 AromaticContact CE2-CE2 3.06Å; F78-F82 HydrophobicContact CE2-CE2 3.06Å; F78-F82 AromaticContact CE2-CG 3.95Å; F78-F82 HydrophobicContact CE2-CG 3.95Å; F78-F82 AromaticContact CE2-CZ 3.6Å; F78-F82 HydrophobicContact CE2-CZ 3.6Å; F78-F82 AromaticContact CG-CD2 3.79Å; F78-F82 HydrophobicContact CG-CD2 3.79Å; F78-F82 HydrophobicContact CG-CE2 4.12Å; F78-F82 HydrophobicContact CZ-CD1 4.36Å; F78-F82 AromaticContact CZ-CD2 3.67Å; F78-F82 HydrophobicContact CZ-CD2 3.67Å; F78-F82 AromaticContact CZ-CE2 3.89Å; F78-F82 HydrophobicContact CZ-CE2 3.89Å; F78-F82 AromaticContact CZ-CG 3.92Å; F78-F82 HydrophobicContact CZ-CG 3.92Å; F78-F82 HydrophobicContact CZ-CZ 4.31Å; F78-F82 WeakPolarHBondContact O-CB 3.5Å; F78-F82 WeakPolarHBondContact O-CD2 3.45Å; F78-F82 PolarHBondContact O-N 3.47Å
79L84.4Confident85.5Confident46 Ų4689.1 Ų89.124%0.24149%0.492CS..Hα-helixtrans-63.6-28.4176.7-68171.1000113L75 L76 F90L75-L79 HydrophobicContact CD1-CD1 4.39Å; L75-L79 HydrophobicContact CD1-CG 4.3Å; L75-L79 HydrophobicContact CG-CD1 4.15Å; L75-L79 HydrophobicContact CG-CG 4.47Å; L75-L79 WeakPolarHBondContact O-CB 3.41Å; L75-L79 VanDerWaalsContact O-CG 3.23Å; L75-L79 WeakPolarHBondContact O-CG 3.21Å; L75-L79 PolarHBondContact O-N 3.3Å; L76-L79 PolarHBondContact O-N 2.93Å; L79-F90 HydrophobicContact CB-CD2 4.03Å; L79-F90 HydrophobicContact CB-CE1 4.37Å; L79-F90 HydrophobicContact CB-CE2 3.85Å; L79-F90 HydrophobicContact CB-CG 4.37Å; L79-F90 HydrophobicContact CB-CZ 4.02Å; L79-F90 HydrophobicContact CD1-CD2 4.27Å; L79-F90 HydrophobicContact CD1-CE2 4.1Å
80D84.4Confident85.5Confident81 Ų8188.5 Ų88.543%0.43348%0.48SS..Hα-helixtrans-78.3-32.9175.5-157.450000112.4L76 V77 F78 F90 K94L76-D80 WeakPolarHBondContact O-CB 3.46Å; L76-D80 PolarHBondContact O-N 3.39Å; V77-D80 PolarHBondContact O-N 3.16Å; F78-D80 PolarHBondContact O-N 2.82Å; D80-F90 HydrophobicContact CB-CE1 3.8Å; D80-F90 HydrophobicContact CB-CZ 4.41Å; D80-K94 IonicContact OD1-NZ 3.46Å; D80-K94 PolarHBondContact OD1-NZ 3.06Å; D80-K94 IonicContact OD2-NZ 3.52Å; D80-K94 PolarHBondContact OD2-NZ 3.49Å
81C83.9Confident85.4Confident97 Ų9787.6 Ų87.666%0.65548%0.477SS*.Hα-helixtrans-88.4-28.3-175-164.40000113.3V77 F78V77-C81 VanDerWaalsContact O-CB 3.31Å; V77-C81 WeakPolarHBondContact O-CB 3.34Å; V77-C81 PolarHBondContact O-N 3.18Å; F78-C81 PolarHBondContact O-N 3.44Å
82F83.1Confident85.1Confident117 Ų11792.1 Ų92.151%0.51348%0.482SS..SBendtrans-96.8107.6-178.7-76.7-91.4000111.2F78 G84 H86F78-F82 HydrophobicContact CD1-CD2 4.17Å; F78-F82 AromaticContact CD2-CD2 3.32Å; F78-F82 HydrophobicContact CD2-CD2 3.32Å; F78-F82 AromaticContact CD2-CE2 3.2Å; F78-F82 HydrophobicContact CD2-CE2 3.2Å; F78-F82 HydrophobicContact CD2-CG 4.36Å; F78-F82 HydrophobicContact CD2-CZ 4.16Å; F78-F82 HydrophobicContact CE1-CD2 4.11Å; F78-F82 HydrophobicContact CE1-CG 4.33Å; F78-F82 HydrophobicContact CE2-CD1 4.4Å; F78-F82 AromaticContact CE2-CD2 3.25Å; F78-F82 HydrophobicContact CE2-CD2 3.25Å; F78-F82 HydrophobicContact CE2-CE1 4.24Å; F78-F82 AromaticContact CE2-CE2 3.06Å; F78-F82 HydrophobicContact CE2-CE2 3.06Å; F78-F82 AromaticContact CE2-CG 3.95Å; F78-F82 HydrophobicContact CE2-CG 3.95Å; F78-F82 AromaticContact CE2-CZ 3.6Å; F78-F82 HydrophobicContact CE2-CZ 3.6Å; F78-F82 AromaticContact CG-CD2 3.79Å; F78-F82 HydrophobicContact CG-CD2 3.79Å; F78-F82 HydrophobicContact CG-CE2 4.12Å; F78-F82 HydrophobicContact CZ-CD1 4.36Å; F78-F82 AromaticContact CZ-CD2 3.67Å; F78-F82 HydrophobicContact CZ-CD2 3.67Å; F78-F82 AromaticContact CZ-CE2 3.89Å; F78-F82 HydrophobicContact CZ-CE2 3.89Å; F78-F82 AromaticContact CZ-CG 3.92Å; F78-F82 HydrophobicContact CZ-CG 3.92Å; F78-F82 HydrophobicContact CZ-CZ 4.31Å; F78-F82 WeakPolarHBondContact O-CB 3.5Å; F78-F82 WeakPolarHBondContact O-CD2 3.45Å; F78-F82 PolarHBondContact O-N 3.47Å; F82-G84 PolarHBondContact O-N 3.04Å; F82-H86 PolarHBondContact O-NE2 2.98Å
83E80Confident85Confident194 Ų19492.3 Ų92.391%0.90748%0.483SS*.  trans-65.2107172.5-65.5179.9-177.700110.2
84G82Confident84.9Confident21 Ų2191.2 Ų91.222%0.21648%0.475CS..SBendtrans-135.7-178.217600000112F82 H86 S87F82-G84 PolarHBondContact O-N 3.04Å; G84-H86 PolarHBondContact O-N 3.05Å; G84-S87 WeakPolarHBondContact O-CB 3.41Å; G84-S87 PolarHBondContact O-N 3.28Å; G84-S87 PolarHBondContact O-OG 3.31Å
85P81.8Confident84.8Confident136 Ų13688.5 Ų88.588%0.88347%0.465SS*.THydrogen-bonded Turntrans-59.8-17.5177.225.8-35.1000113.1
86H81.7Confident84.8Confident66 Ų6686.3 Ų86.331%0.30646%0.456SS..THydrogen-bonded Turntrans-81.5-16.817659.4-85.9000113.7F82 G84 H88 T89 F90F82-H86 PolarHBondContact O-NE2 2.98Å; G84-H86 PolarHBondContact O-N 3.05Å; H86-H88 PolarHBondContact O-N 3.15Å; H86-T89 PolarHBondContact O-N 2.85Å; H86-T89 VanDerWaalsContact O-N 3.15Å; H86-F90 VanDerWaalsContact O-CB 3.29Å; H86-F90 WeakPolarHBondContact O-CB 3.44Å; H86-F90 PolarHBondContact O-N 2.95Å
87S82.3Confident85Confident39 Ų3988.3 Ų88.327%0.27346%0.461SS..Hα-helixtrans-56-50.3-173.261.90000111.8G84 T89 F90 D91G84-S87 WeakPolarHBondContact O-CB 3.41Å; G84-S87 PolarHBondContact O-N 3.28Å; G84-S87 PolarHBondContact O-OG 3.31Å; S87-T89 VanDerWaalsContact C-N 3.32Å; S87-T89 PolarHBondContact O-N 3.39Å; S87-F90 CarbonylContact O-C 3.49Å; S87-F90 PolarHBondContact O-N 3.34Å; S87-F90 VanDerWaalsContact O-N 3.11Å; S87-D91 WeakPolarHBondContact O-CB 3.32Å; S87-D91 VanDerWaalsContact O-CG 3.28Å; S87-D91 PolarHBondContact O-N 3.15Å
88H83.3Confident85.2Confident128 Ų12889 Ų8959%0.59346%0.462SS*.Hα-helixtrans-60.7-38.6179.8178.5-95.8000113.3H86 R92H86-H88 PolarHBondContact O-N 3.15Å; H88-R92 WeakPolarHBondContact O-CB 3.44Å; H88-R92 PolarHBondContact O-N 3.32Å
89T84.9Confident85.4Confident82 Ų8286.2 Ų86.250%0.50345%0.448SS..Hα-helixtrans-72.3-40.4176.5-59.50000110.9H86 S87 R92 I93H86-T89 PolarHBondContact O-N 2.85Å; H86-T89 VanDerWaalsContact O-N 3.15Å; S87-T89 VanDerWaalsContact C-N 3.32Å; S87-T89 PolarHBondContact O-N 3.39Å; T89-R92 PolarHBondContact O-N 3.19Å; T89-I93 HydrophobicContact CG2-CD1 4.05Å; T89-I93 WeakPolarHBondContact O-CG1 3.23Å; T89-I93 PolarHBondContact O-N 3.42Å
90F86.4Confident85.9Confident32 Ų3288.6 Ų88.614%0.1445%0.454CS..Hα-helixtrans-64.7-46.5178.2-176.6-101.8000111.5L76 L79 D80 H86 S87 R92 I93 K94L76-F90 HydrophobicContact CD2-CE2 3.9Å; L76-F90 HydrophobicContact CD2-CZ 4.33Å; L79-F90 HydrophobicContact CB-CD2 4.03Å; L79-F90 HydrophobicContact CB-CE1 4.37Å; L79-F90 HydrophobicContact CB-CE2 3.85Å; L79-F90 HydrophobicContact CB-CG 4.37Å; L79-F90 HydrophobicContact CB-CZ 4.02Å; L79-F90 HydrophobicContact CD1-CD2 4.27Å; L79-F90 HydrophobicContact CD1-CE2 4.1Å; D80-F90 HydrophobicContact CB-CE1 3.8Å; D80-F90 HydrophobicContact CB-CZ 4.41Å; H86-F90 VanDerWaalsContact O-CB 3.29Å; H86-F90 WeakPolarHBondContact O-CB 3.44Å; H86-F90 PolarHBondContact O-N 2.95Å; S87-F90 CarbonylContact O-C 3.49Å; S87-F90 PolarHBondContact O-N 3.34Å; S87-F90 VanDerWaalsContact O-N 3.11Å; F90-R92 VanDerWaalsContact C-N 3.29Å; F90-R92 PolarHBondContact O-N 3.14Å; F90-I93 CarbonylContact O-C 3.59Å; F90-I93 PolarHBondContact O-N 2.76Å; F90-I93 VanDerWaalsContact O-N 3.09Å; F90-K94 HydrophobicContact CE1-CD 4.29Å; F90-K94 VanDerWaalsContact O-CB 3.31Å; F90-K94 WeakPolarHBondContact O-CB 3.41Å; F90-K94 PolarHBondContact O-N 3.23Å
91D85.5Confident86.2Confident81 Ų8186.8 Ų86.843%0.43345%0.447SS..Hα-helixtrans-58.6-41.6175.5-73.5-30.1000111.6S87 K94 S95S87-D91 WeakPolarHBondContact O-CB 3.32Å; S87-D91 VanDerWaalsContact O-CG 3.28Å; S87-D91 PolarHBondContact O-N 3.15Å; D91-K94 PolarHBondContact O-N 3.34Å; D91-S95 VanDerWaalsContact O-CB 3.23Å; D91-S95 WeakPolarHBondContact O-CB 3.42Å; D91-S95 PolarHBondContact O-N 2.73Å
92R85.1Confident86.6Confident130 Ų13088.4 Ų88.449%0.49144%0.44SS..Hα-helixtrans-62.4-44.6174.8-174.4175.6-177.4149.82.8111.7H88 T89 F90 T96 R146H88-R92 WeakPolarHBondContact O-CB 3.44Å; H88-R92 PolarHBondContact O-N 3.32Å; T89-R92 PolarHBondContact O-N 3.19Å; F90-R92 VanDerWaalsContact C-N 3.29Å; F90-R92 PolarHBondContact O-N 3.14Å; R92-T96 VanDerWaalsContact O-CB 3.28Å; R92-T96 WeakPolarHBondContact O-CB 3.24Å; R92-T96 PolarHBondContact O-N 3.25Å; R92-T96 PolarHBondContact O-OG1 2.95Å; R92-R146 VanDerWaalsContact NH1-NH2 3.19Å
93I87.8Confident87.1Confident105 Ų10583.3 Ų83.354%0.53842%0.417SS..Hα-helixtrans-65.4-47177.6-69.3167.1000110.3T89 F90 T96 F97T89-I93 HydrophobicContact CG2-CD1 4.05Å; T89-I93 WeakPolarHBondContact O-CG1 3.23Å; T89-I93 PolarHBondContact O-N 3.42Å; F90-I93 CarbonylContact O-C 3.59Å; F90-I93 PolarHBondContact O-N 2.76Å; F90-I93 VanDerWaalsContact O-N 3.09Å; I93-T96 PolarHBondContact O-N 2.94Å; I93-F97 WeakPolarHBondContact O-CB 3.26Å; I93-F97 PolarHBondContact O-N 3.23Å
94K87.8Confident87.7Confident80 Ų8075.5 Ų75.535%0.34838%0.383SS..Hα-helixtrans-58.2-52.4178.9178.3-179.7176.8179.90111.3D80 F90 D91 T96 F97 L98D80-K94 IonicContact OD1-NZ 3.46Å; D80-K94 PolarHBondContact OD1-NZ 3.06Å; D80-K94 IonicContact OD2-NZ 3.52Å; D80-K94 PolarHBondContact OD2-NZ 3.49Å; F90-K94 HydrophobicContact CE1-CD 4.29Å; F90-K94 VanDerWaalsContact O-CB 3.31Å; F90-K94 WeakPolarHBondContact O-CB 3.41Å; F90-K94 PolarHBondContact O-N 3.23Å; D91-K94 PolarHBondContact O-N 3.34Å; K94-T96 PolarHBondContact O-N 3.29Å; K94-F97 PolarHBondContact O-N 2.89Å; K94-L98 HydrophobicContact CG-CD1 4.07Å; K94-L98 WeakPolarHBondContact O-CB 3.47Å; K94-L98 VanDerWaalsContact O-CG 3.3Å; K94-L98 WeakPolarHBondContact O-CG 3.09Å; K94-L98 PolarHBondContact O-N 3.44Å
95S87.3Confident88Confident53 Ų5380.8 Ų80.837%0.37140%0.396SS..Hα-helixtrans-60.1-45.6177.9177.40000111.7D91 F97 L98 W99D91-S95 VanDerWaalsContact O-CB 3.23Å; D91-S95 WeakPolarHBondContact O-CB 3.42Å; D91-S95 PolarHBondContact O-N 2.73Å; S95-F97 PolarHBondContact O-N 3.45Å; S95-L98 PolarHBondContact O-N 3.46Å; S95-W99 VanDerWaalsContact O-CB 3.32Å; S95-W99 WeakPolarHBondContact O-CB 3.29Å; S95-W99 PolarHBondContact O-N 3Å
96T89Confident88.3Confident50 Ų5074.9 Ų74.931%0.30736%0.357SS..Hα-helixtrans-62.6-43.7177.3-55.80000111.6R92 I93 K94 W99 W100R92-T96 VanDerWaalsContact O-CB 3.28Å; R92-T96 WeakPolarHBondContact O-CB 3.24Å; R92-T96 PolarHBondContact O-N 3.25Å; R92-T96 PolarHBondContact O-OG1 2.95Å; I93-T96 PolarHBondContact O-N 2.94Å; K94-T96 PolarHBondContact O-N 3.29Å; T96-W99 PolarHBondContact O-N 3.31Å; T96-W100 HydrophobicContact CG2-CD2 3.94Å; T96-W100 HydrophobicContact CG2-CE3 4.31Å; T96-W100 HydrophobicContact CG2-CH2 3.93Å; T96-W100 HydrophobicContact CG2-CZ2 3.51Å; T96-W100 HydrophobicContact CG2-CZ3 4.31Å; T96-W100 VanDerWaalsContact O-CG 3.31Å; T96-W100 PolarHBondContact O-N 3.43Å
97F90.6Very high88.6Confident128 Ų12871.8 Ų71.856%0.56134%0.343SS*.Hα-helixtrans-66.3-43179.7177.5-97.4000112I93 K94 S95 W99 W100 S101I93-F97 WeakPolarHBondContact O-CB 3.26Å; I93-F97 PolarHBondContact O-N 3.23Å; K94-F97 PolarHBondContact O-N 2.89Å; S95-F97 PolarHBondContact O-N 3.45Å; F97-W99 VanDerWaalsContact C-N 3.34Å; F97-W100 PolarHBondContact O-N 2.87Å; F97-S101 WeakPolarHBondContact CE1-OG 2.93Å; F97-S101 WeakPolarHBondContact CZ-OG 3.07Å; F97-S101 WeakPolarHBondContact O-CB 3.41Å; F97-S101 PolarHBondContact O-N 3.18Å; F97-S101 PolarHBondContact O-OG 3.38Å
98L90.7Very high88.7Confident103 Ų10372.4 Ų72.454%0.53934%0.341SS..Hα-helixtrans-64.2-40.7175.6-72.7173.7000111.3K94 S95 S101 W102K94-L98 HydrophobicContact CG-CD1 4.07Å; K94-L98 WeakPolarHBondContact O-CB 3.47Å; K94-L98 VanDerWaalsContact O-CG 3.3Å; K94-L98 WeakPolarHBondContact O-CG 3.09Å; K94-L98 PolarHBondContact O-N 3.44Å; S95-L98 PolarHBondContact O-N 3.46Å; L98-S101 PolarHBondContact O-N 2.75Å; L98-W102 VanDerWaalsContact O-CB 3.32Å; L98-W102 WeakPolarHBondContact O-CB 3.22Å; L98-W102 PolarHBondContact O-N 2.92Å
99W92Very high88.6Confident42 Ų4270.1 Ų70.116%0.15933%0.332CS..Hα-helixtrans-61.1-49.2175-175.4-115.3000111.9S95 T96 F97 W102 W103 F128 P147 P148 E177S95-W99 VanDerWaalsContact O-CB 3.32Å; S95-W99 WeakPolarHBondContact O-CB 3.29Å; S95-W99 PolarHBondContact O-N 3Å; T96-W99 PolarHBondContact O-N 3.31Å; F97-W99 VanDerWaalsContact C-N 3.34Å; W99-W102 WeakPolarHBondContact O-CB 3.34Å; W99-W102 PolarHBondContact O-N 3.22Å; W99-W103 AromaticContact CD2-NE1 3.72Å; W99-W103 AromaticContact CE2-CD1 3.86Å; W99-W103 AromaticContact CE2-NE1 3.08Å; W99-W103 HydrophobicContact CH2-CZ2 4.14Å; W99-W103 AromaticContact CH2-NE1 3.87Å; W99-W103 AromaticContact CZ2-CE2 3.8Å; W99-W103 AromaticContact CZ2-CZ2 3.85Å; W99-W103 HydrophobicContact CZ2-CZ2 3.85Å; W99-W103 AromaticContact CZ2-NE1 3.17Å; W99-W103 AromaticContact NE1-CD1 3.8Å; W99-W103 AromaticContact NE1-NE1 3.32Å; W99-W103 PolarHBondContact O-N 2.99Å; W99-F128 HydrophobicContact CH2-CE2 4.43Å; W99-F128 AromaticContact CZ2-CE2 3.83Å; W99-F128 HydrophobicContact CZ2-CE2 3.83Å; W99-F128 HydrophobicContact CZ2-CZ 4.15Å; W99-P147 HydrophobicContact CD2-CB 3.94Å; W99-P147 HydrophobicContact CD2-CG 4.3Å; W99-P147 VanDerWaalsContact CE2-CB 3.46Å; W99-P147 HydrophobicContact CE3-CB 4.36Å; W99-P147 HydrophobicContact CG-CG 4.43Å; W99-P147 HydrophobicContact CH2-CB 3.99Å; W99-P147 HydrophobicContact CZ2-CB 3.51Å; W99-P147 HydrophobicContact CZ2-CG 4.2Å; W99-P147 HydrophobicContact CZ3-CB 4.38Å; W99-P148 HydrophobicContact CE3-CB 4.47Å; W99-P148 HydrophobicContact CZ3-CB 4.06Å; W99-E177 PolarHBondContact NE1-OE1 3.17Å; W99-E177 VanDerWaalsContact NE1-OE1 3.16Å
100W93.5Very high88.3Confident95 Ų9566.2 Ų66.236%0.3631%0.308SS..Hα-helixtrans-64.1-42.7176-67-10.1000112.7T96 F97 W102 W103 V104 M180T96-W100 HydrophobicContact CG2-CD2 3.94Å; T96-W100 HydrophobicContact CG2-CE3 4.31Å; T96-W100 HydrophobicContact CG2-CH2 3.93Å; T96-W100 HydrophobicContact CG2-CZ2 3.51Å; T96-W100 HydrophobicContact CG2-CZ3 4.31Å; T96-W100 VanDerWaalsContact O-CG 3.31Å; T96-W100 PolarHBondContact O-N 3.43Å; F97-W100 PolarHBondContact O-N 2.87Å; W100-W102 VanDerWaalsContact C-N 3.27Å; W100-W102 PolarHBondContact O-N 3.32Å; W100-W103 PolarHBondContact O-N 2.94Å; W100-W103 VanDerWaalsContact O-N 3.16Å; W100-V104 WeakPolarHBondContact O-CG2 3.23Å; W100-V104 PolarHBondContact O-N 2.82Å; W100-M180 HydrophobicContact CB-CG 3.99Å; W100-M180 HydrophobicContact CB-SD 4.31Å; W100-M180 HydrophobicContact CD2-CE 4.42Å; W100-M180 HydrophobicContact CE3-CE 4.36Å; W100-M180 HydrophobicContact CG-CG 4.08Å
101S92.3Very high87.8Confident43 Ų4365 Ų6530%0.30130%0.304SS..Hα-helixtrans-61.2-37.5176.9-62.90000111.6F97 L98 V104 W105F97-S101 WeakPolarHBondContact CE1-OG 2.93Å; F97-S101 WeakPolarHBondContact CZ-OG 3.07Å; F97-S101 WeakPolarHBondContact O-CB 3.41Å; F97-S101 PolarHBondContact O-N 3.18Å; F97-S101 PolarHBondContact O-OG 3.38Å; L98-S101 PolarHBondContact O-N 2.75Å; S101-V104 PolarHBondContact O-N 3.26Å; S101-W105 VanDerWaalsContact O-CB 3.29Å; S101-W105 WeakPolarHBondContact O-CB 3.15Å; S101-W105 PolarHBondContact O-N 3.48Å
102W92.1Very high86.9Confident132 Ų13262.1 Ų62.150%0.529%0.29SS..Hα-helixtrans-60.8-45.5173.6178.3-108.1000111.8L98 W99 W100 W105 L106L98-W102 VanDerWaalsContact O-CB 3.32Å; L98-W102 WeakPolarHBondContact O-CB 3.22Å; L98-W102 PolarHBondContact O-N 2.92Å; W99-W102 WeakPolarHBondContact O-CB 3.34Å; W99-W102 PolarHBondContact O-N 3.22Å; W100-W102 VanDerWaalsContact C-N 3.27Å; W100-W102 PolarHBondContact O-N 3.32Å; W102-W105 PolarHBondContact O-N 2.82Å; W102-L106 HydrophobicContact CD2-CG 4.41Å; W102-L106 HydrophobicContact CH2-CD2 4.46Å; W102-L106 HydrophobicContact CZ2-CD1 4.22Å; W102-L106 HydrophobicContact CZ2-CD2 3.99Å; W102-L106 HydrophobicContact CZ2-CG 4.24Å; W102-L106 VanDerWaalsContact NE1-CD1 3.35Å; W102-L106 WeakPolarHBondContact O-CG 3.31Å; W102-L106 PolarHBondContact O-N 3.41Å
103W92.8Very high85.3Confident9 Ų957.3 Ų57.33%0.03428%0.281CS..Hα-helixtrans-65.6-41.1175.9-73.7110.8000113.3W99 W100 W105 L106 G107 L125 F128 E177 M180 W181W99-W103 AromaticContact CD2-NE1 3.72Å; W99-W103 AromaticContact CE2-CD1 3.86Å; W99-W103 AromaticContact CE2-NE1 3.08Å; W99-W103 HydrophobicContact CH2-CZ2 4.14Å; W99-W103 AromaticContact CH2-NE1 3.87Å; W99-W103 AromaticContact CZ2-CE2 3.8Å; W99-W103 AromaticContact CZ2-CZ2 3.85Å; W99-W103 HydrophobicContact CZ2-CZ2 3.85Å; W99-W103 AromaticContact CZ2-NE1 3.17Å; W99-W103 AromaticContact NE1-CD1 3.8Å; W99-W103 AromaticContact NE1-NE1 3.32Å; W99-W103 PolarHBondContact O-N 2.99Å; W100-W103 PolarHBondContact O-N 2.94Å; W100-W103 VanDerWaalsContact O-N 3.16Å; W103-W105 VanDerWaalsContact C-N 3.29Å; W103-W105 PolarHBondContact O-N 3.43Å; W103-L106 HydrophobicContact CE3-CD1 4.2Å; W103-L106 HydrophobicContact CZ3-CD1 4.26Å; W103-L106 PolarHBondContact O-N 2.7Å; W103-G107 PolarHBondContact O-N 2.85Å; W103-L125 HydrophobicContact CE3-CD1 4.39Å; W103-L125 HydrophobicContact CH2-CD1 4.4Å; W103-L125 HydrophobicContact CZ3-CB 4.35Å; W103-L125 HydrophobicContact CZ3-CD1 3.96Å; W103-F128 HydrophobicContact CH2-CB 3.77Å; W103-F128 AromaticContact CH2-CD1 3.91Å; W103-F128 HydrophobicContact CH2-CD1 3.91Å; W103-F128 HydrophobicContact CH2-CD2 4.1Å; W103-F128 AromaticContact CH2-CG 3.65Å; W103-F128 HydrophobicContact CH2-CG 3.65Å; W103-F128 HydrophobicContact CZ2-CB 4.32Å; W103-F128 AromaticContact CZ2-CD1 3.86Å; W103-F128 HydrophobicContact CZ2-CD1 3.86Å; W103-F128 AromaticContact CZ2-CD2 3.78Å; W103-F128 HydrophobicContact CZ2-CD2 3.78Å; W103-F128 HydrophobicContact CZ2-CE1 4.08Å; W103-F128 AromaticContact CZ2-CE2 3.97Å; W103-F128 HydrophobicContact CZ2-CE2 3.97Å; W103-F128 AromaticContact CZ2-CG 3.71Å; W103-F128 HydrophobicContact CZ2-CG 3.71Å; W103-F128 HydrophobicContact CZ2-CZ 4.13Å; W103-E177 HydrophobicContact CD2-CB 4.17Å; W103-E177 HydrophobicContact CG-CB 4.2Å; W103-E177 HydrophobicContact CG-CG 4.46Å; W103-E177 HydrophobicContact CZ2-CB 4.47Å; W103-M180 HydrophobicContact CB-CB 3.9Å; W103-W181 HydrophobicContact CE3-CB 4.36Å; W103-W181 WeakPolarHBondContact O-CA 3.22Å
104V92.5Very high83.4Confident30 Ų3062.3 Ų62.318%0.18230%0.299CS..Hα-helixtrans-59.8-43172.3175.20000110.4W100 S101 G107 F108 M180 L183 G184 L187W100-V104 WeakPolarHBondContact O-CG2 3.23Å; W100-V104 PolarHBondContact O-N 2.82Å; S101-V104 PolarHBondContact O-N 3.26Å; V104-G107 PolarHBondContact O-N 2.88Å; V104-F108 WeakPolarHBondContact O-CB 3.36Å; V104-F108 PolarHBondContact O-N 3.49Å; V104-M180 WeakPolarHBondContact CA-O 3.45Å; V104-M180 HydrophobicContact CG2-CB 3.92Å; V104-M180 HydrophobicContact CG2-CG 4.47Å; V104-M180 WeakPolarHBondContact CG2-O 3.42Å; V104-M180 HydrophobicContact CG2-SD 4.02Å; V104-L183 HydrophobicContact CG2-CD2 4.17Å; V104-G184 WeakPolarHBondContact O-CA 3.17Å; V104-L187 HydrophobicContact CG1-CD1 3.97Å
105W89.6Confident81.7Confident133 Ų13359.5 Ų59.550%0.50429%0.293SS..Hα-helixtrans-66.5-45.1-179.8-172.9-116.4000112.5S101 W102 W103 G107 F108 L109S101-W105 VanDerWaalsContact O-CB 3.29Å; S101-W105 WeakPolarHBondContact O-CB 3.15Å; S101-W105 PolarHBondContact O-N 3.48Å; W102-W105 PolarHBondContact O-N 2.82Å; W103-W105 VanDerWaalsContact C-N 3.29Å; W103-W105 PolarHBondContact O-N 3.43Å; W105-G107 VanDerWaalsContact C-N 3.31Å; W105-G107 PolarHBondContact O-N 3.37Å; W105-F108 AromaticContact CE3-CD1 3.91Å; W105-F108 HydrophobicContact CE3-CD1 3.91Å; W105-F108 HydrophobicContact CH2-CD1 4.12Å; W105-F108 HydrophobicContact CH2-CE1 4.09Å; W105-F108 AromaticContact CZ3-CD1 3.57Å; W105-F108 HydrophobicContact CZ3-CD1 3.57Å; W105-F108 AromaticContact CZ3-CE1 3.79Å; W105-F108 HydrophobicContact CZ3-CE1 3.79Å; W105-F108 HydrophobicContact CZ3-CG 4.45Å; W105-F108 PolarHBondContact O-N 2.9Å; W105-L109 HydrophobicContact CD2-CG 4.43Å; W105-L109 HydrophobicContact CZ2-CD1 4.46Å; W105-L109 HydrophobicContact CZ2-CD2 4.03Å; W105-L109 HydrophobicContact CZ2-CG 4.32Å; W105-L109 WeakPolarHBondContact O-CG 3.44Å; W105-L109 PolarHBondContact O-N 2.85Å
106L87Confident80.2Confident12 Ų1259.9 Ų59.96%0.06329%0.293CS..Hα-helixtrans-59.7-41.8173.3-72.8-179.4000111.8W102 W103 S110 Y124W102-L106 HydrophobicContact CD2-CG 4.41Å; W102-L106 HydrophobicContact CH2-CD2 4.46Å; W102-L106 HydrophobicContact CZ2-CD1 4.22Å; W102-L106 HydrophobicContact CZ2-CD2 3.99Å; W102-L106 HydrophobicContact CZ2-CG 4.24Å; W102-L106 VanDerWaalsContact NE1-CD1 3.35Å; W102-L106 WeakPolarHBondContact O-CG 3.31Å; W102-L106 PolarHBondContact O-N 3.41Å; W103-L106 HydrophobicContact CE3-CD1 4.2Å; W103-L106 HydrophobicContact CZ3-CD1 4.26Å; W103-L106 PolarHBondContact O-N 2.7Å; L106-S110 WeakPolarHBondContact O-CB 3.24Å; L106-S110 PolarHBondContact O-N 3.36Å; L106-Y124 HydrophobicContact CD1-CD1 4.12Å; L106-Y124 HydrophobicContact CD1-CG 4.33Å; L106-Y124 HydrophobicContact CD2-CD1 4.45Å; L106-Y124 HydrophobicContact CD2-CE1 4.39Å
107G88Confident78.9Confident0 Ų057.6 Ų57.60%028%0.28CS..Hα-helixtrans-63.9-40.5174.400000112.8W103 V104 W105 S110 W181 G184 T185W103-G107 PolarHBondContact O-N 2.85Å; V104-G107 PolarHBondContact O-N 2.88Å; W105-G107 VanDerWaalsContact C-N 3.31Å; W105-G107 PolarHBondContact O-N 3.37Å; G107-S110 WeakPolarHBondContact O-CB 3.1Å; G107-S110 PolarHBondContact O-N 2.85Å; G107-W181 WeakPolarHBondContact CA-O 3.32Å; G107-G184 CarbonylContact C-O 3.59Å; G107-G184 CarbonylContact O-C 3.52Å; G107-T185 WeakPolarHBondContact O-CA 3.26Å; G107-T185 PolarHBondContact O-N 3.07Å
108F85.4Confident77.6Confident53 Ų5357.2 Ų57.223%0.23228%0.283CS..Hα-helixtrans-64.4-49.8177.5173.6-97.4000111.8V104 W105 S110 S111 C112 G184 L187V104-F108 WeakPolarHBondContact O-CB 3.36Å; V104-F108 PolarHBondContact O-N 3.49Å; W105-F108 AromaticContact CE3-CD1 3.91Å; W105-F108 HydrophobicContact CE3-CD1 3.91Å; W105-F108 HydrophobicContact CH2-CD1 4.12Å; W105-F108 HydrophobicContact CH2-CE1 4.09Å; W105-F108 AromaticContact CZ3-CD1 3.57Å; W105-F108 HydrophobicContact CZ3-CD1 3.57Å; W105-F108 AromaticContact CZ3-CE1 3.79Å; W105-F108 HydrophobicContact CZ3-CE1 3.79Å; W105-F108 HydrophobicContact CZ3-CG 4.45Å; W105-F108 PolarHBondContact O-N 2.9Å; F108-S110 PolarHBondContact O-N 2.85Å; F108-S111 PolarHBondContact O-N 3.14Å; F108-S111 VanDerWaalsContact O-N 3.08Å; F108-C112 HydrophobicContact CE1-CB 4.36Å; F108-C112 WeakPolarHBondContact CE2-SG 3.19Å; F108-C112 HydrophobicContact CZ-CB 4.4Å; F108-C112 WeakPolarHBondContact CZ-SG 3.22Å; F108-C112 PolarHBondContact O-N 3.2Å; F108-G184 WeakPolarHBondContact CA-O 3.47Å; F108-G184 VanDerWaalsContact N-C 3.3Å; F108-G184 PolarHBondContact N-O 2.87Å; F108-L187 HydrophobicContact CD2-CB 3.98Å
109L80.9Confident76.4Confident79 Ų7955.3 Ų55.341%0.41427%0.271SS..Hα-helixtrans-59.4-30.8175.7-71179.4000112.2W105 S111W105-L109 HydrophobicContact CD2-CG 4.43Å; W105-L109 HydrophobicContact CZ2-CD1 4.46Å; W105-L109 HydrophobicContact CZ2-CD2 4.03Å; W105-L109 HydrophobicContact CZ2-CG 4.32Å; W105-L109 WeakPolarHBondContact O-CG 3.44Å; W105-L109 PolarHBondContact O-N 2.85Å; L109-S111 VanDerWaalsContact C-N 3.26Å; L109-S111 PolarHBondContact O-N 2.91Å
110S77.2Confident75.7Confident0 Ų054.2 Ų54.20%027%0.269CS..Hα-helixtrans-63.1-27.2176.8-1720000114.5L106 G107 F108 G117 T120L106-S110 WeakPolarHBondContact O-CB 3.24Å; L106-S110 PolarHBondContact O-N 3.36Å; G107-S110 WeakPolarHBondContact O-CB 3.1Å; G107-S110 PolarHBondContact O-N 2.85Å; F108-S110 PolarHBondContact O-N 2.85Å; S110-G117 WeakPolarHBondContact O-CA 3.36Å; S110-G117 PolarHBondContact O-N 3.36Å; S110-G117 WeakPolarHBondContact OG-CA 3.08Å; S110-T120 WeakPolarHBondContact OG-CB 3.37Å; S110-T120 PolarHBondContact OG-OG1 3.31Å
111S75.9Confident75.2Confident7 Ų750.5 Ų50.55%0.04926%0.255CS..Hα-helixtrans-113.1-25.6-174.8-88.70000113.6F108 L109 G113 T185 G188 E189F108-S111 PolarHBondContact O-N 3.14Å; F108-S111 VanDerWaalsContact O-N 3.08Å; L109-S111 VanDerWaalsContact C-N 3.26Å; L109-S111 PolarHBondContact O-N 2.91Å; S111-G113 PolarHBondContact O-N 3.29Å; S111-T185 VanDerWaalsContact OG-CG2 3.23Å; S111-T185 WeakPolarHBondContact OG-CG2 3.47Å; S111-G188 CarbonylContact C-O 3.57Å; S111-E189 PolarHBondContact OG-OE1 3.41Å
112C67.3Low74.6Confident21 Ų2152.7 Ų52.714%0.14227%0.267CS..THydrogen-bonded Turntrans-64.5-12.4-177.9-92.70000115.8F108 F368F108-C112 HydrophobicContact CE1-CB 4.36Å; F108-C112 WeakPolarHBondContact CE2-SG 3.19Å; F108-C112 HydrophobicContact CZ-CB 4.4Å; F108-C112 WeakPolarHBondContact CZ-SG 3.22Å; F108-C112 PolarHBondContact O-N 3.2Å; C112-F368 HydrophobicContact CB-CE2 4.09Å; C112-F368 HydrophobicContact CB-CZ 4.32Å
113G51.1Low73.9Confident29 Ų2948.9 Ų48.930%0.29926%0.256SS..THydrogen-bonded Turntrans-121.497.1174.400000112.4S111 G115S111-G113 PolarHBondContact O-N 3.29Å; G113-G115 VanDerWaalsContact C-N 3.31Å; G113-G115 PolarHBondContact O-N 3.05Å
114F49.2Very low73.5Confident210 Ų21053.1 Ų53.192%0.92127%0.272SS*.THydrogen-bonded Turntrans46.838.4164.2-83.9-81.5000117.4T116F114-T116 VanDerWaalsContact C-N 3.33Å; F114-T116 PolarHBondContact O-N 3.42Å
115G51.1Low73.3Confident20 Ų2051.7 Ų51.721%0.20626%0.264CS..THydrogen-bonded Turntrans74.213.2160.800000116.5G113 G117 N260G113-G115 VanDerWaalsContact C-N 3.31Å; G113-G115 PolarHBondContact O-N 3.05Å; G115-G117 PolarHBondContact O-N 2.88Å; G115-N260 PolarHBondContact O-ND2 2.92Å
116T56.5Low73.2Confident61 Ų6145.8 Ų45.837%0.37424%0.244SC..  trans-74.717179.159.80000114.6F114 L118 H119F114-T116 VanDerWaalsContact C-N 3.33Å; F114-T116 PolarHBondContact O-N 3.42Å; T116-L118 PolarHBondContact O-N 3.31Å; T116-H119 VanDerWaalsContact O-CB 3.26Å; T116-H119 WeakPolarHBondContact O-CB 3.27Å; T116-H119 PolarHBondContact O-N 3.46Å
117G61Low73Confident3 Ų347.4 Ų47.43%0.03126%0.255CS..Hα-helixtrans-63-14.4-169.400000117.2S110 G115 H119 F121S110-G117 WeakPolarHBondContact O-CA 3.36Å; S110-G117 PolarHBondContact O-N 3.36Å; S110-G117 WeakPolarHBondContact OG-CA 3.08Å; G115-G117 PolarHBondContact O-N 2.88Å; G117-H119 VanDerWaalsContact C-N 3.29Å; G117-F121 WeakPolarHBondContact O-CB 3.21Å; G117-F121 PolarHBondContact O-N 3.5Å; G117-F121 VanDerWaalsContact O-N 3.08Å
118L63.5Low73Confident119 Ų11948.3 Ų48.362%0.62326%0.259SS*.Hα-helixtrans-63.1-37.5168.3-176.564.5000111.5T116 F121 V122T116-L118 PolarHBondContact O-N 3.31Å; L118-F121 PolarHBondContact O-N 3.25Å; L118-V122 HydrophobicContact CD1-CG2 4.45Å; L118-V122 VanDerWaalsContact O-CG2 3.28Å; L118-V122 WeakPolarHBondContact O-CG2 3.42Å; L118-V122 PolarHBondContact O-N 2.91Å
119H66.5Low73.2Confident64 Ų6445.8 Ų45.830%0.29625%0.248SC..Hα-helixtrans-64.4-48.7178.9-178-111000111.1T116 G117 F121 V122 L123 L357T116-H119 VanDerWaalsContact O-CB 3.26Å; T116-H119 WeakPolarHBondContact O-CB 3.27Å; T116-H119 PolarHBondContact O-N 3.46Å; G117-H119 VanDerWaalsContact C-N 3.29Å; H119-F121 VanDerWaalsContact C-N 3.31Å; H119-F121 PolarHBondContact O-N 2.94Å; H119-V122 PolarHBondContact O-N 3.36Å; H119-L123 WeakPolarHBondContact CE1-CD1 3.49Å; H119-L123 WeakPolarHBondContact ND1-CD1 3.37Å; H119-L123 WeakPolarHBondContact O-CB 3.4Å; H119-L123 VanDerWaalsContact O-CG 3.24Å; H119-L123 WeakPolarHBondContact O-CG 3.31Å; H119-L123 PolarHBondContact O-N 3.36Å; H119-L357 WeakPolarHBondContact NE2-CD1 3.48Å
120T77.1Confident73.4Confident19 Ų1942.6 Ų42.612%0.11723%0.233CC..Hα-helixtrans-64.5-36.5178-44.50000112S110 L123 Y124S110-T120 WeakPolarHBondContact OG-CB 3.37Å; S110-T120 PolarHBondContact OG-OG1 3.31Å; T120-L123 PolarHBondContact O-N 3.48Å; T120-Y124 HydrophobicContact CG2-CD2 3.56Å; T120-Y124 HydrophobicContact CG2-CE2 4.05Å; T120-Y124 WeakPolarHBondContact O-CD2 3.45Å; T120-Y124 PolarHBondContact O-N 3.35Å
121F83.1Confident73.7Confident17 Ų1744.7 Ų44.78%0.07524%0.243CC..Iπ-helixtrans-58.3-52.8171.3174.7-97.9000111G117 L118 H119 L123 Y124 L125 G126 W181 Q296 V300G117-F121 WeakPolarHBondContact O-CB 3.21Å; G117-F121 PolarHBondContact O-N 3.5Å; G117-F121 VanDerWaalsContact O-N 3.08Å; L118-F121 PolarHBondContact O-N 3.25Å; H119-F121 VanDerWaalsContact C-N 3.31Å; H119-F121 PolarHBondContact O-N 2.94Å; F121-L123 PolarHBondContact O-N 2.88Å; F121-Y124 PolarHBondContact O-N 3.35Å; F121-L125 HydrophobicContact CD2-CB 3.83Å; F121-L125 HydrophobicContact CD2-CD2 3.81Å; F121-L125 HydrophobicContact CD2-CG 4.07Å; F121-L125 HydrophobicContact CE2-CB 4.12Å; F121-L125 HydrophobicContact CE2-CD2 3.78Å; F121-L125 HydrophobicContact CE2-CG 3.94Å; F121-L125 PolarHBondContact O-N 3.41Å; F121-G126 PolarHBondContact O-N 3.16Å; F121-W181 HydrophobicContact CB-CH2 4.22Å; F121-W181 HydrophobicContact CB-CZ2 3.92Å; F121-W181 HydrophobicContact CD2-CH2 4.08Å; F121-W181 HydrophobicContact CD2-CZ2 4.25Å; F121-W181 HydrophobicContact CD2-CZ3 4.47Å; F121-Q296 HydrophobicContact CD2-CB 4.47Å; F121-Q296 HydrophobicContact CE2-CB 3.65Å; F121-Q296 HydrophobicContact CE2-CG 4.16Å; F121-Q296 HydrophobicContact CZ-CB 3.69Å; F121-Q296 HydrophobicContact CZ-CG 4.21Å; F121-V300 HydrophobicContact CE1-CG2 3.87Å; F121-V300 HydrophobicContact CZ-CG2 3.5Å; F121-V300 VanDerWaalsContact CZ-CG2 3.5Å
122V78Confident74.3Confident89 Ų8944.4 Ų44.454%0.53924%0.241SC..Iπ-helixtrans-63.2-24.6-179.6172.40000112.4L118 H119 P127L118-V122 HydrophobicContact CD1-CG2 4.45Å; L118-V122 VanDerWaalsContact O-CG2 3.28Å; L118-V122 WeakPolarHBondContact O-CG2 3.42Å; L118-V122 PolarHBondContact O-N 2.91Å; H119-V122 PolarHBondContact O-N 3.36Å; V122-P127 WeakPolarHBondContact O-CD 3.24Å; V122-P127 WeakPolarHBondContact O-CG 3.37Å
123L78.3Confident75.2Confident52 Ų5243.4 Ų43.427%0.27223%0.234SC..Iπ-helixtrans-90.7-33.8-179.6-72.1175000115.6H119 T120 F121 L357 I361H119-L123 WeakPolarHBondContact CE1-CD1 3.49Å; H119-L123 WeakPolarHBondContact ND1-CD1 3.37Å; H119-L123 WeakPolarHBondContact O-CB 3.4Å; H119-L123 VanDerWaalsContact O-CG 3.24Å; H119-L123 WeakPolarHBondContact O-CG 3.31Å; H119-L123 PolarHBondContact O-N 3.36Å; T120-L123 PolarHBondContact O-N 3.48Å; F121-L123 PolarHBondContact O-N 2.88Å; L123-L357 HydrophobicContact CD1-CD1 4.01Å; L123-L357 HydrophobicContact CD1-CD2 3.74Å; L123-L357 HydrophobicContact CD1-CG 4.18Å; L123-L357 HydrophobicContact CD2-CD1 3.7Å; L123-L357 HydrophobicContact CD2-CD2 3.79Å; L123-L357 HydrophobicContact CD2-CG 4.36Å; L123-L357 HydrophobicContact CG-CD1 4.37Å; L123-L357 HydrophobicContact CG-CD2 4.41Å; L123-I361 HydrophobicContact CD1-CD1 3.99Å
124Y84.3Confident76.6Confident97 Ų9742.8 Ų42.838%0.3822%0.224SC..Iπ-helixtrans-118.1-64.8-171.5-65-83.9000111.4L106 T120 F121 F128L106-Y124 HydrophobicContact CD1-CD1 4.12Å; L106-Y124 HydrophobicContact CD1-CG 4.33Å; L106-Y124 HydrophobicContact CD2-CD1 4.45Å; L106-Y124 HydrophobicContact CD2-CE1 4.39Å; T120-Y124 HydrophobicContact CG2-CD2 3.56Å; T120-Y124 HydrophobicContact CG2-CE2 4.05Å; T120-Y124 WeakPolarHBondContact O-CD2 3.45Å; T120-Y124 PolarHBondContact O-N 3.35Å; F121-Y124 PolarHBondContact O-N 3.35Å; Y124-F128 VanDerWaalsContact O-CB 3.24Å; Y124-F128 WeakPolarHBondContact O-CB 3.45Å; Y124-F128 PolarHBondContact O-N 2.84Å; Y124-F128 VanDerWaalsContact O-N 3.14Å
125L88.4Confident78.3Confident1 Ų133.3 Ų33.31%0.00518%0.184CC..Iπ-helixtrans-71.1-41.4-172.7-175.262.2000112.4W103 F121 F128 I129 W181W103-L125 HydrophobicContact CE3-CD1 4.39Å; W103-L125 HydrophobicContact CH2-CD1 4.4Å; W103-L125 HydrophobicContact CZ3-CB 4.35Å; W103-L125 HydrophobicContact CZ3-CD1 3.96Å; F121-L125 HydrophobicContact CD2-CB 3.83Å; F121-L125 HydrophobicContact CD2-CD2 3.81Å; F121-L125 HydrophobicContact CD2-CG 4.07Å; F121-L125 HydrophobicContact CE2-CB 4.12Å; F121-L125 HydrophobicContact CE2-CD2 3.78Å; F121-L125 HydrophobicContact CE2-CG 3.94Å; F121-L125 PolarHBondContact O-N 3.41Å; L125-F128 HydrophobicContact CD1-CD1 4.36Å; L125-F128 PolarHBondContact O-N 2.93Å; L125-I129 HydrophobicContact CD1-CD1 3.97Å; L125-I129 HydrophobicContact CD1-CG1 4.18Å; L125-I129 HydrophobicContact CD2-CD1 4.32Å; L125-I129 HydrophobicContact CG-CD1 3.73Å; L125-I129 HydrophobicContact CG-CG1 4.37Å; L125-I129 VanDerWaalsContact O-CG1 3.26Å; L125-I129 WeakPolarHBondContact O-CG1 3.15Å; L125-I129 PolarHBondContact O-N 2.93Å; L125-W181 HydrophobicContact CB-CD2 4.48Å; L125-W181 HydrophobicContact CB-CG 4.46Å; L125-W181 HydrophobicContact CD2-CB 4.12Å; L125-W181 HydrophobicContact CD2-CD2 3.5Å; L125-W181 VanDerWaalsContact CD2-CD2 3.5Å; L125-W181 HydrophobicContact CD2-CE3 3.43Å; L125-W181 VanDerWaalsContact CD2-CE3 3.43Å; L125-W181 HydrophobicContact CD2-CG 3.8Å; L125-W181 HydrophobicContact CD2-CZ3 4.08Å
126G86.7Confident79.9Confident8 Ų832.4 Ų32.48%0.08217%0.174CC..Hα-helixtrans-60.2-56.1178.500000112.3F121 F128 I129 A130F121-G126 PolarHBondContact O-N 3.16Å; G126-F128 VanDerWaalsContact C-N 3.29Å; G126-F128 PolarHBondContact O-N 3.49Å; G126-I129 PolarHBondContact O-N 2.83Å; G126-A130 WeakPolarHBondContact O-CB 3.41Å; G126-A130 PolarHBondContact O-N 2.87Å
127P84.2Confident81.2Confident46 Ų4633.2 Ų33.230%0.29917%0.171SC..Hα-helixtrans-59.1-38.8176.4-28.338000112.7V122 A130 E131V122-P127 WeakPolarHBondContact O-CD 3.24Å; V122-P127 WeakPolarHBondContact O-CG 3.37Å; P127-A130 PolarHBondContact O-N 3.12Å; P127-E131 VanDerWaalsContact O-CB 3.29Å; P127-E131 WeakPolarHBondContact O-CB 3.42Å; P127-E131 PolarHBondContact O-N 3.29Å
128F87.6Confident82.1Confident19 Ų1937.1 Ų37.18%0.08319%0.188CC..Hα-helixtrans-60.9-48.2174.9173.5-100.5000112.7W99 W103 Y124 L125 G126 A130 E131 V132 Y149 V174 E177W99-F128 HydrophobicContact CH2-CE2 4.43Å; W99-F128 AromaticContact CZ2-CE2 3.83Å; W99-F128 HydrophobicContact CZ2-CE2 3.83Å; W99-F128 HydrophobicContact CZ2-CZ 4.15Å; W103-F128 HydrophobicContact CH2-CB 3.77Å; W103-F128 AromaticContact CH2-CD1 3.91Å; W103-F128 HydrophobicContact CH2-CD1 3.91Å; W103-F128 HydrophobicContact CH2-CD2 4.1Å; W103-F128 AromaticContact CH2-CG 3.65Å; W103-F128 HydrophobicContact CH2-CG 3.65Å; W103-F128 HydrophobicContact CZ2-CB 4.32Å; W103-F128 AromaticContact CZ2-CD1 3.86Å; W103-F128 HydrophobicContact CZ2-CD1 3.86Å; W103-F128 AromaticContact CZ2-CD2 3.78Å; W103-F128 HydrophobicContact CZ2-CD2 3.78Å; W103-F128 HydrophobicContact CZ2-CE1 4.08Å; W103-F128 AromaticContact CZ2-CE2 3.97Å; W103-F128 HydrophobicContact CZ2-CE2 3.97Å; W103-F128 AromaticContact CZ2-CG 3.71Å; W103-F128 HydrophobicContact CZ2-CG 3.71Å; W103-F128 HydrophobicContact CZ2-CZ 4.13Å; Y124-F128 VanDerWaalsContact O-CB 3.24Å; Y124-F128 WeakPolarHBondContact O-CB 3.45Å; Y124-F128 PolarHBondContact O-N 2.84Å; Y124-F128 VanDerWaalsContact O-N 3.14Å; L125-F128 HydrophobicContact CD1-CD1 4.36Å; L125-F128 PolarHBondContact O-N 2.93Å; G126-F128 VanDerWaalsContact C-N 3.29Å; G126-F128 PolarHBondContact O-N 3.49Å; F128-A130 VanDerWaalsContact C-N 3.33Å; F128-A130 PolarHBondContact O-N 3.36Å; F128-E131 PolarHBondContact O-N 3.47Å; F128-V132 HydrophobicContact CE1-CG2 4.44Å; F128-V132 HydrophobicContact CE2-CG2 4.21Å; F128-V132 HydrophobicContact CZ-CG2 4.14Å; F128-V132 WeakPolarHBondContact O-CG2 3.29Å; F128-V132 PolarHBondContact O-N 3.48Å; F128-Y149 HydrophobicContact CE2-CD2 4.13Å; F128-Y149 AromaticContact CE2-CE2 3.76Å; F128-Y149 HydrophobicContact CE2-CE2 3.76Å; F128-Y149 HydrophobicContact CZ-CE2 4.25Å; F128-V174 HydrophobicContact CE1-CB 4.43Å; F128-V174 HydrophobicContact CE1-CG1 4.23Å; F128-E177 HydrophobicContact CE1-CB 3.77Å; F128-E177 HydrophobicContact CE1-CG 3.76Å; F128-E177 HydrophobicContact CZ-CB 4.31Å; F128-E177 HydrophobicContact CZ-CG 3.78Å
129I89.4Confident83Confident0 Ų031.7 Ų31.70%016%0.16CC..Hα-helixtrans-64.3-41.8177.7-66.2164.3000110.4L125 G126 T133 V174 Q297 V300 I301L125-I129 HydrophobicContact CD1-CD1 3.97Å; L125-I129 HydrophobicContact CD1-CG1 4.18Å; L125-I129 HydrophobicContact CD2-CD1 4.32Å; L125-I129 HydrophobicContact CG-CD1 3.73Å; L125-I129 HydrophobicContact CG-CG1 4.37Å; L125-I129 VanDerWaalsContact O-CG1 3.26Å; L125-I129 WeakPolarHBondContact O-CG1 3.15Å; L125-I129 PolarHBondContact O-N 2.93Å; G126-I129 PolarHBondContact O-N 2.83Å; I129-T133 VanDerWaalsContact O-CB 3.27Å; I129-T133 WeakPolarHBondContact O-CB 3.46Å; I129-T133 PolarHBondContact O-N 3.43Å; I129-T133 PolarHBondContact O-OG1 2.94Å; I129-V174 HydrophobicContact CG1-CB 4.32Å; I129-V174 HydrophobicContact CG1-CG2 4.25Å; I129-V174 HydrophobicContact CG2-CG2 4.37Å; I129-Q297 HydrophobicContact CD1-CB 4.44Å; I129-Q297 HydrophobicContact CD1-CG 3.86Å; I129-V300 HydrophobicContact CB-CB 4.42Å; I129-V300 HydrophobicContact CB-CG1 3.84Å; I129-V300 HydrophobicContact CG2-CB 3.99Å; I129-V300 HydrophobicContact CG2-CG1 3.66Å; I129-I301 HydrophobicContact CG2-CD1 4.37Å; I129-I301 HydrophobicContact CG2-CG1 3.63Å
130A85.3Confident83.8Confident12 Ų1235.7 Ų35.710%0.09918%0.176CC..Hα-helixtrans-62.2-46.617800000111.3G126 P127 F128 V132 T133 M134 V300 S304 L341G126-A130 WeakPolarHBondContact O-CB 3.41Å; G126-A130 PolarHBondContact O-N 2.87Å; P127-A130 PolarHBondContact O-N 3.12Å; F128-A130 VanDerWaalsContact C-N 3.33Å; F128-A130 PolarHBondContact O-N 3.36Å; A130-V132 PolarHBondContact O-N 3.28Å; A130-T133 PolarHBondContact O-N 2.89Å; A130-M134 VanDerWaalsContact O-CG 3.29Å; A130-M134 WeakPolarHBondContact O-CG 3.46Å; A130-M134 PolarHBondContact O-N 3.35Å; A130-V300 HydrophobicContact CB-CG1 4.15Å; A130-S304 PolarHBondContact O-OG 2.85Å; A130-L341 HydrophobicContact CB-CD2 3.72Å
131E84.2Confident84.2Confident45 Ų4535 Ų3521%0.2117%0.172CC..Hα-helixtrans-58.8-50.3177.6-172.2176.8167.800111.4P127 F128 T133 M134 S135 I153P127-E131 VanDerWaalsContact O-CB 3.29Å; P127-E131 WeakPolarHBondContact O-CB 3.42Å; P127-E131 PolarHBondContact O-N 3.29Å; F128-E131 PolarHBondContact O-N 3.47Å; E131-T133 VanDerWaalsContact C-N 3.27Å; E131-T133 PolarHBondContact O-N 3.43Å; E131-M134 PolarHBondContact O-N 3.47Å; E131-S135 WeakPolarHBondContact O-CB 3.26Å; E131-S135 PolarHBondContact O-N 2.88Å; E131-S135 PolarHBondContact O-OG 3.2Å; E131-S135 VanDerWaalsContact O-OG 3.09Å; E131-I153 HydrophobicContact CG-CD1 4.04Å; E131-I153 HydrophobicContact CG-CG1 4.28Å
132V87.9Confident84.2Confident1 Ų135 Ų351%0.00617%0.173CC..Hα-helixtrans-61-37.8176.7175.30000111.8F128 A130 A136 F144 Y149 I153 K173 V174F128-V132 HydrophobicContact CE1-CG2 4.44Å; F128-V132 HydrophobicContact CE2-CG2 4.21Å; F128-V132 HydrophobicContact CZ-CG2 4.14Å; F128-V132 WeakPolarHBondContact O-CG2 3.29Å; F128-V132 PolarHBondContact O-N 3.48Å; A130-V132 PolarHBondContact O-N 3.28Å; V132-A136 VanDerWaalsContact O-CB 3.26Å; V132-A136 WeakPolarHBondContact O-CB 3.32Å; V132-A136 PolarHBondContact O-N 2.92Å; V132-A136 VanDerWaalsContact O-N 3.08Å; V132-F144 HydrophobicContact CG1-CD2 4.5Å; V132-F144 HydrophobicContact CG1-CE2 3.97Å; V132-Y149 HydrophobicContact CG2-CE2 4.32Å; V132-I153 HydrophobicContact CB-CD1 4.44Å; V132-I153 HydrophobicContact CG2-CD1 3.83Å; V132-K173 HydrophobicContact CG1-CG 4.22Å; V132-V174 HydrophobicContact CB-CG1 3.82Å; V132-V174 HydrophobicContact CG1-CG1 3.55Å; V132-V174 HydrophobicContact CG2-CG1 4.12Å
133T86.6Confident84.4Confident0 Ų036.3 Ų36.30%018%0.177CC..Hα-helixtrans-68.4-46.6179.5-59.20000111.4I129 A130 E131 A136 Y137 I170 I301I129-T133 VanDerWaalsContact O-CB 3.27Å; I129-T133 WeakPolarHBondContact O-CB 3.46Å; I129-T133 PolarHBondContact O-N 3.43Å; I129-T133 PolarHBondContact O-OG1 2.94Å; A130-T133 PolarHBondContact O-N 2.89Å; E131-T133 VanDerWaalsContact C-N 3.27Å; E131-T133 PolarHBondContact O-N 3.43Å; T133-A136 WeakPolarHBondContact O-CB 3.37Å; T133-A136 PolarHBondContact O-N 3.46Å; T133-Y137 HydrophobicContact CG2-CD2 4Å; T133-Y137 HydrophobicContact CG2-CE2 3.67Å; T133-Y137 WeakPolarHBondContact O-CD2 3.4Å; T133-Y137 PolarHBondContact O-N 3.02Å; T133-I170 HydrophobicContact CG2-CD1 4.03Å; T133-I170 HydrophobicContact CG2-CG2 4.4Å; T133-I170 WeakPolarHBondContact OG1-CG2 3.27Å; T133-I301 HydrophobicContact CG2-CG2 3.95Å
134M80.8Confident84.5Confident16 Ų1634.1 Ų34.18%0.07917%0.165CC..Hα-helixtrans-63.9-50179.3-68.6178.8-175.300111.1A130 E131 A136 Y137 E138 S304 K338 L341A130-M134 VanDerWaalsContact O-CG 3.29Å; A130-M134 WeakPolarHBondContact O-CG 3.46Å; A130-M134 PolarHBondContact O-N 3.35Å; E131-M134 PolarHBondContact O-N 3.47Å; M134-A136 PolarHBondContact O-N 3.23Å; M134-Y137 PolarHBondContact O-N 3.37Å; M134-Y137 VanDerWaalsContact O-N 3.08Å; M134-E138 PolarHBondContact O-N 3.02Å; M134-S304 WeakPolarHBondContact CE-OG 3.15Å; M134-S304 VanDerWaalsContact CG-OG 3.29Å; M134-S304 WeakPolarHBondContact CG-OG 3.13Å; M134-K338 HydrophobicContact CE-CB 4.01Å; M134-K338 HydrophobicContact CE-CD 4.28Å; M134-K338 HydrophobicContact CE-CG 3.76Å; M134-K338 HydrophobicContact SD-CG 3.91Å; M134-L341 HydrophobicContact CE-CD2 4.2Å; M134-L341 HydrophobicContact SD-CB 4.32Å; M134-L341 HydrophobicContact SD-CD2 4.15Å
135S83.5Confident84.1Confident11 Ų1132.3 Ų32.38%0.07717%0.165CC..Hα-helixtrans-60.6-29.6177.1-57.60000112.2E131 C139E131-S135 WeakPolarHBondContact O-CB 3.26Å; E131-S135 PolarHBondContact O-N 2.88Å; E131-S135 PolarHBondContact O-OG 3.2Å; E131-S135 VanDerWaalsContact O-OG 3.09Å; S135-C139 VanDerWaalsContact O-CB 3.22Å; S135-C139 WeakPolarHBondContact O-CB 3.44Å; S135-C139 PolarHBondContact O-N 3.03Å; S135-C139 PolarHBondContact O-SG 3.18Å
136A86.2Confident83.2Confident0 Ų039.6 Ų39.60%019%0.193CC..Hα-helixtrans-68.6-40.8176.800000112V132 T133 M134 K140 L142 F144 I165 I170V132-A136 VanDerWaalsContact O-CB 3.26Å; V132-A136 WeakPolarHBondContact O-CB 3.32Å; V132-A136 PolarHBondContact O-N 2.92Å; V132-A136 VanDerWaalsContact O-N 3.08Å; T133-A136 WeakPolarHBondContact O-CB 3.37Å; T133-A136 PolarHBondContact O-N 3.46Å; M134-A136 PolarHBondContact O-N 3.23Å; A136-K140 VanDerWaalsContact O-CA 3.26Å; A136-K140 WeakPolarHBondContact O-CA 3.4Å; A136-K140 PolarHBondContact O-N 2.99Å; A136-L142 HydrophobicContact CB-CD2 3.58Å; A136-L142 HydrophobicContact CB-CG 4.48Å; A136-F144 HydrophobicContact CB-CE2 4.41Å; A136-F144 HydrophobicContact CB-CZ 3.93Å; A136-I165 HydrophobicContact CB-CD1 4.48Å; A136-I165 HydrophobicContact CB-CG2 4.24Å; A136-I165 WeakPolarHBondContact O-CG1 3.23Å; A136-I170 HydrophobicContact CB-CD1 4.16Å; A136-I170 HydrophobicContact CB-CG1 4.16Å
137Y82.7Confident82.7Confident79 Ų7940.4 Ų40.431%0.3120%0.196SC..Hα-helixtrans-71.5-36.6177.1-74.3-63.9000112.5T133 M134 I165 I170 S305T133-Y137 HydrophobicContact CG2-CD2 4Å; T133-Y137 HydrophobicContact CG2-CE2 3.67Å; T133-Y137 WeakPolarHBondContact O-CD2 3.4Å; T133-Y137 PolarHBondContact O-N 3.02Å; M134-Y137 PolarHBondContact O-N 3.37Å; M134-Y137 VanDerWaalsContact O-N 3.08Å; Y137-I165 HydrophobicContact CD1-CG2 4.24Å; Y137-I165 HydrophobicContact CE1-CG2 4.04Å; Y137-I170 HydrophobicContact CD2-CD1 4.36Å; Y137-I170 HydrophobicContact CE2-CD1 3.72Å; Y137-S305 PolarHBondContact OH-OG 2.85Å
138E80Confident82Confident84 Ų8442.6 Ų42.639%0.39321%0.211SC..Hα-helixtrans-71.9-51.9178.2-77.2155.9-152.100112.7M134 K140 H342M134-E138 PolarHBondContact O-N 3.02Å; E138-K140 PolarHBondContact O-N 3.08Å; E138-H342 IonicContact OE1-CE1 2.83Å; E138-H342 PolarHBondContact OE1-CE1 3.4Å; E138-H342 IonicContact OE1-ND1 3.85Å; E138-H342 IonicContact OE1-NE2 3.33Å; E138-H342 PolarHBondContact OE1-NE2 3.38Å; E138-H342 IonicContact OE2-CE1 3.12Å; E138-H342 PolarHBondContact OE2-CE1 3.18Å; E138-H342 IonicContact OE2-NE2 3.4Å; E138-H342 PolarHBondContact OE2-NE2 3.23Å
139C83Confident81Confident5 Ų543.4 Ų43.43%0.03421%0.214CC..Hα-helixtrans-75.6-12.7180-51.70000112.3S135 T141 F144 C155 L159S135-C139 VanDerWaalsContact O-CB 3.22Å; S135-C139 WeakPolarHBondContact O-CB 3.44Å; S135-C139 PolarHBondContact O-N 3.03Å; S135-C139 PolarHBondContact O-SG 3.18Å; C139-T141 HydrophobicContact CB-CG2 3.91Å; C139-T141 PolarHBondContact O-N 3.26Å; C139-F144 HydrophobicContact CB-CE1 4.29Å; C139-C155 VanDerWaalsContact CA-SG 3.54Å; C139-C155 HydrophobicContact CB-CB 3.73Å; C139-C155 WeakPolarHBondContact CB-SG 3.41Å; C139-C155 WeakPolarHBondContact SG-CA 3.38Å; C139-C155 WeakPolarHBondContact SG-CB 3.45Å; C139-C155 CovalentContact SG-SG 2.03Å; C139-C155 PolarHBondContact SG-SG 3Å; C139-L159 WeakPolarHBondContact O-CD2 3.16Å
140K83.2Confident79.9Confident148 Ų14847 Ų4764%0.64324%0.237SC*.SBendtrans52.724.3-172.9-59.8177.2-179.2172.50113.7A136 E138A136-K140 VanDerWaalsContact O-CA 3.26Å; A136-K140 WeakPolarHBondContact O-CA 3.4Å; A136-K140 PolarHBondContact O-N 2.99Å; E138-K140 PolarHBondContact O-N 3.08Å
141T84.6Confident78.9Confident4 Ų453.7 Ų53.73%0.02527%0.271CS..  trans-145.6157.3177.4-174.20000110C139 D143 F144 P156 L159 E163C139-T141 HydrophobicContact CB-CG2 3.91Å; C139-T141 PolarHBondContact O-N 3.26Å; T141-D143 PolarHBondContact OG1-N 2.89Å; T141-F144 WeakPolarHBondContact O-CE1 3.18Å; T141-F144 WeakPolarHBondContact O-CZ 3.36Å; T141-P156 HydrophobicContact CG2-CG 3.54Å; T141-L159 HydrophobicContact CG2-CD2 4.46Å; T141-E163 PolarHBondContact OG1-OE2 3.4Å
142L83.5Confident78.2Confident18 Ų1859 Ų599%0.09429%0.29CS..SBendtrans-105.22.8172.3-72.5167.6000112.7A136 F144 I165 K169 I170 K173A136-L142 HydrophobicContact CB-CD2 3.58Å; A136-L142 HydrophobicContact CB-CG 4.48Å; L142-F144 HydrophobicContact CD2-CE2 4.07Å; L142-F144 PolarHBondContact O-N 3.24Å; L142-I165 HydrophobicContact CD1-CD1 4.25Å; L142-I165 HydrophobicContact CG-CD1 3.75Å; L142-K169 HydrophobicContact CD1-CB 3.42Å; L142-K169 VanDerWaalsContact CD1-CB 3.42Å; L142-K169 HydrophobicContact CD1-CD 4.34Å; L142-K169 HydrophobicContact CD1-CG 4.46Å; L142-I170 HydrophobicContact CD2-CG1 4.2Å; L142-K173 HydrophobicContact CD2-CB 4.28Å; L142-K173 HydrophobicContact CD2-CG 4.34Å; L142-K173 PolarHBondContact O-NZ 3.42Å
143D81.8Confident77.6Confident117 Ų11759.7 Ų59.763%0.62629%0.293SS*.  trans-83.160.2180-157.722.5000111.4T141 P156T141-D143 PolarHBondContact OG1-N 2.89Å; D143-P156 WeakPolarHBondContact O-CG 3.27Å
144F80.4Confident77.2Confident6 Ų663.4 Ų63.43%0.02632%0.315CS..PPolyproline II helixtrans-72.3154.5173.2-53.6-51.5000111.6V132 A136 C139 T141 L142 R146 Y149 I153V132-F144 HydrophobicContact CG1-CD2 4.5Å; V132-F144 HydrophobicContact CG1-CE2 3.97Å; A136-F144 HydrophobicContact CB-CE2 4.41Å; A136-F144 HydrophobicContact CB-CZ 3.93Å; C139-F144 HydrophobicContact CB-CE1 4.29Å; T141-F144 WeakPolarHBondContact O-CE1 3.18Å; T141-F144 WeakPolarHBondContact O-CZ 3.36Å; L142-F144 HydrophobicContact CD2-CE2 4.07Å; L142-F144 PolarHBondContact O-N 3.24Å; F144-R146 PolarHBondContact O-N 3.27Å; F144-Y149 HydrophobicContact CB-CE1 3.69Å; F144-Y149 HydrophobicContact CG-CE1 4.49Å; F144-I153 HydrophobicContact CB-CG2 3.87Å; F144-I153 HydrophobicContact CD1-CG2 3.25Å; F144-I153 HydrophobicContact CD2-CG2 4.22Å; F144-I153 HydrophobicContact CE1-CG2 3.78Å; F144-I153 HydrophobicContact CG-CG2 3.51Å; F144-I153 HydrophobicContact CZ-CG2 4.44Å
145P75.3Confident77.1Confident59 Ų5965.4 Ų65.438%0.38333%0.33SS..PPolyproline II helixtrans-50.4142.8165.222-32.8000110.3Y149P145-Y149 VanDerWaalsContact O-CD1 3.29Å; P145-Y149 WeakPolarHBondContact O-CD1 3.2Å; P145-Y149 WeakPolarHBondContact O-CE1 3.5Å
146R71Confident76.9Confident153 Ų15366.5 Ų66.558%0.57734%0.337SS*.PPolyproline II helixtrans-63.5145.4-175.5-62.9-178.8-162.4154.912.6110.8R92 F144R92-R146 VanDerWaalsContact NH1-NH2 3.19Å; F144-R146 PolarHBondContact O-N 3.27Å
147P75.1Confident76.4Confident25 Ų2574 Ų7416%0.16238%0.377CS..SBendtrans-63.5153.2172.826.4-33.2000111.6W99 Y149W99-P147 HydrophobicContact CD2-CB 3.94Å; W99-P147 HydrophobicContact CD2-CG 4.3Å; W99-P147 VanDerWaalsContact CE2-CB 3.46Å; W99-P147 HydrophobicContact CE3-CB 4.36Å; W99-P147 HydrophobicContact CG-CG 4.43Å; W99-P147 HydrophobicContact CH2-CB 3.99Å; W99-P147 HydrophobicContact CZ2-CB 3.51Å; W99-P147 HydrophobicContact CZ2-CG 4.2Å; W99-P147 HydrophobicContact CZ3-CB 4.38Å; P147-Y149 HydrophobicContact CB-CD2 4.06Å; P147-Y149 HydrophobicContact CB-CE2 3.87Å; P147-Y149 HydrophobicContact CG-CE2 4.42Å
148P69.7Low75.9Confident93 Ų9377.4 Ų77.460%0.60440%0.401SS*.SBendcis-68.2128.72.828.3-34.1000111.9W99W99-P148 HydrophobicContact CE3-CB 4.47Å; W99-P148 HydrophobicContact CZ3-CB 4.06Å
149Y66.2Low75.4Confident35 Ų3578.6 Ų78.614%0.13741%0.409CS..PPolyproline II helixtrans-69.7146.9177.4-59-74.8000109F128 V132 F144 P145 P147 I153F128-Y149 HydrophobicContact CE2-CD2 4.13Å; F128-Y149 AromaticContact CE2-CE2 3.76Å; F128-Y149 HydrophobicContact CE2-CE2 3.76Å; F128-Y149 HydrophobicContact CZ-CE2 4.25Å; V132-Y149 HydrophobicContact CG2-CE2 4.32Å; F144-Y149 HydrophobicContact CB-CE1 3.69Å; F144-Y149 HydrophobicContact CG-CE1 4.49Å; P145-Y149 VanDerWaalsContact O-CD1 3.29Å; P145-Y149 WeakPolarHBondContact O-CD1 3.2Å; P145-Y149 WeakPolarHBondContact O-CE1 3.5Å; P147-Y149 HydrophobicContact CB-CD2 4.06Å; P147-Y149 HydrophobicContact CB-CE2 3.87Å; P147-Y149 HydrophobicContact CG-CE2 4.42Å; Y149-I153 HydrophobicContact CD1-CD1 4.28Å; Y149-I153 HydrophobicContact CD1-CG1 3.8Å; Y149-I153 HydrophobicContact CD2-CD1 4.26Å; Y149-I153 HydrophobicContact CD2-CG1 4.23Å; Y149-I153 HydrophobicContact CE1-CD1 4.25Å; Y149-I153 HydrophobicContact CE1-CG1 4.22Å; Y149-I153 HydrophobicContact CE2-CD1 4.27Å; Y149-I153 HydrophobicContact CG-CD1 4.29Å; Y149-I153 HydrophobicContact CG-CG1 3.8Å
150P66.7Low74.8Confident76 Ų7683.7 Ų83.749%0.49444%0.436SS..  trans-60.5174.5163.923.7-25.7000110R152P150-R152 WeakPolarHBondContact CG-O 3.28Å; P150-R152 CarbonylContact O-C 3.55Å; P150-R152 PolarHBondContact O-N 3.14Å
151D64.7Low74.1Confident153 Ų15382 Ų8282%0.81844%0.441SS*.SBendtrans-49.5-20.9-174.3-66.4-41.4000115.2
152R69.1Low73.4Confident157 Ų15791 Ų9159%0.59248%0.48SS*.SBendtrans-135.5143.9167.364-174.6-179.3-155.8-1.2111.3P150 V154 E345P150-R152 WeakPolarHBondContact CG-O 3.28Å; P150-R152 CarbonylContact O-C 3.55Å; P150-R152 PolarHBondContact O-N 3.14Å; R152-V154 HydrophobicContact CG-CG2 4.35Å; R152-V154 PolarHBondContact O-N 2.85Å; R152-E345 IonicContact NH1-OE1 3.27Å; R152-E345 PolarHBondContact NH1-OE1 3.11Å
153I76.5Confident72.9Confident14 Ų1492.9 Ų92.97%0.07249%0.488CS..  trans-67.5114.5167.7-59.1178000109.3E131 V132 F144 Y149E131-I153 HydrophobicContact CG-CD1 4.04Å; E131-I153 HydrophobicContact CG-CG1 4.28Å; V132-I153 HydrophobicContact CB-CD1 4.44Å; V132-I153 HydrophobicContact CG2-CD1 3.83Å; F144-I153 HydrophobicContact CB-CG2 3.87Å; F144-I153 HydrophobicContact CD1-CG2 3.25Å; F144-I153 HydrophobicContact CD2-CG2 4.22Å; F144-I153 HydrophobicContact CE1-CG2 3.78Å; F144-I153 HydrophobicContact CG-CG2 3.51Å; F144-I153 HydrophobicContact CZ-CG2 4.44Å; Y149-I153 HydrophobicContact CD1-CD1 4.28Å; Y149-I153 HydrophobicContact CD1-CG1 3.8Å; Y149-I153 HydrophobicContact CD2-CD1 4.26Å; Y149-I153 HydrophobicContact CD2-CG1 4.23Å; Y149-I153 HydrophobicContact CE1-CD1 4.25Å; Y149-I153 HydrophobicContact CE1-CG1 4.22Å; Y149-I153 HydrophobicContact CE2-CD1 4.27Å; Y149-I153 HydrophobicContact CG-CD1 4.29Å; Y149-I153 HydrophobicContact CG-CG1 3.8Å
154V76.5Confident72.7Confident79 Ų7995.5 Ų95.548%0.47949%0.494SS..PPolyproline II helixtrans-86.1132.9177.3-177.20000109.7R152R152-V154 HydrophobicContact CG-CG2 4.35Å; R152-V154 PolarHBondContact O-N 2.85Å
155C80.3Confident72.7Confident57 Ų5796.7 Ų96.739%0.38550%0.5SS..PPolyproline II helixtrans-65.3137.2174.6-60.80000110.9C139C139-C155 VanDerWaalsContact CA-SG 3.54Å; C139-C155 HydrophobicContact CB-CB 3.73Å; C139-C155 WeakPolarHBondContact CB-SG 3.41Å; C139-C155 WeakPolarHBondContact SG-CA 3.38Å; C139-C155 WeakPolarHBondContact SG-CB 3.45Å; C139-C155 CovalentContact SG-SG 2.03Å; C139-C155 PolarHBondContact SG-SG 3Å
156P79.1Confident73.2Confident34 Ų3496.9 Ų96.922%0.22150%0.5CS..PPolyproline II helixtrans-68.9146.817430.8-36000111.1T141 D143 N158T141-P156 HydrophobicContact CG2-CG 3.54Å; D143-P156 WeakPolarHBondContact O-CG 3.27Å; P156-N158 VanDerWaalsContact C-N 3.32Å; P156-N158 PolarHBondContact O-N 3.04Å
157D75.9Confident73.9Confident159 Ų15991.3 Ų91.385%0.8548%0.48SS*.SBendtrans-67.2-33.2178-60.5-47.1000112.4L159D157-L159 PolarHBondContact O-N 3.16Å
158N72Confident74.5Confident150 Ų15099 Ų9980%0.80251%0.506SS*.SBendtrans-85.276.7-178.1-68.8-29.3000111.1P156 N160P156-N158 VanDerWaalsContact C-N 3.32Å; P156-N158 PolarHBondContact O-N 3.04Å; N158-N160 PolarHBondContact O-N 3.08Å
159L69.3Low75.4Confident108 Ų10898.2 Ų98.257%0.56549%0.493SS*.  trans-71.7119.8176.3-67.9166.4000110.7C139 T141 D157 P161C139-L159 WeakPolarHBondContact O-CD2 3.16Å; T141-L159 HydrophobicContact CG2-CD2 4.46Å; D157-L159 PolarHBondContact O-N 3.16Å; L159-P161 WeakPolarHBondContact O-CD 3.31Å
160N70.9Confident76.5Confident112 Ų11296.5 Ų96.560%0.59949%0.487SS*.  trans-81.6107.8166.4-82.6-35.2000109.4N158 F162 E163N158-N160 PolarHBondContact O-N 3.08Å; N160-F162 PolarHBondContact O-N 2.87Å; N160-F162 VanDerWaalsContact O-N 3.11Å; N160-E163 HydrophobicContact CB-CB 4.47Å; N160-E163 PolarHBondContact O-N 3.44Å
161P67.7Low77.7Confident114 Ų11493.3 Ų93.374%0.7447%0.465SS*.THydrogen-bonded Turntrans-67.3-17.3-173.626.1-34.2000113.8L159L159-P161 WeakPolarHBondContact O-CD 3.31Å
162F70.5Confident79Confident193 Ų19395.2 Ų95.285%0.84646%0.461SS*.THydrogen-bonded Turntrans-89.2-6-179.1-62.4-74.3000113.9N160 K164N160-F162 PolarHBondContact O-N 2.87Å; N160-F162 VanDerWaalsContact O-N 3.11Å; F162-K164 PolarHBondContact O-N 3.46Å
163E71.3Confident80Confident56 Ų5691 Ų9126%0.26245%0.447SS..  trans-76.8100.3-179.3-170.4164.6-152.300111T141 N160 I165 K169T141-E163 PolarHBondContact OG1-OE2 3.4Å; N160-E163 HydrophobicContact CB-CB 4.47Å; N160-E163 PolarHBondContact O-N 3.44Å; E163-I165 PolarHBondContact O-N 3.46Å; E163-K169 IonicContact OE1-NZ 3.79Å; E163-K169 PolarHBondContact OE1-NZ 3.35Å
164K78Confident80.7Confident173 Ų17390.3 Ų90.375%0.75244%0.443SS*.  trans-76.8123167-66.1-175.3-178.1-179.10109.4F162 K169F162-K164 PolarHBondContact O-N 3.46Å; K164-K169 PolarHBondContact O-NZ 3.23Å
165I81.5Confident81.5Confident31 Ų3189.1 Ų89.116%0.15943%0.432CS..  trans-75.9126.5170.2-59.6-67.2000108A136 Y137 L142 E163 I170A136-I165 HydrophobicContact CB-CD1 4.48Å; A136-I165 HydrophobicContact CB-CG2 4.24Å; A136-I165 WeakPolarHBondContact O-CG1 3.23Å; Y137-I165 HydrophobicContact CD1-CG2 4.24Å; Y137-I165 HydrophobicContact CE1-CG2 4.04Å; L142-I165 HydrophobicContact CD1-CD1 4.25Å; L142-I165 HydrophobicContact CG-CD1 3.75Å; E163-I165 PolarHBondContact O-N 3.46Å; I165-I170 HydrophobicContact CG2-CD1 3.67Å; I165-I170 HydrophobicContact CG2-CG1 3.83Å
166T85.7Confident82.1Confident63 Ų6390.6 Ų90.639%0.38744%0.435SS..  trans-124149.5173.665.10000108.7W168 K169 I170T166-W168 PolarHBondContact O-N 2.89Å; T166-W168 VanDerWaalsContact O-N 3.15Å; T166-K169 WeakPolarHBondContact O-CB 3.26Å; T166-K169 PolarHBondContact O-N 2.81Å; T166-K169 WeakPolarHBondContact OG1-CG 3.28Å; T166-K169 PolarHBondContact OG1-N 3.44Å; T166-I170 PolarHBondContact O-N 2.91Å; T166-I170 VanDerWaalsContact O-N 3.15Å
167F85Confident82.8Confident36 Ų3689.8 Ų89.816%0.15843%0.428CS..Hα-helixtrans-46.5-44.3175.5-177.2-83.1000112.7K169 I170 M171 L298 I301 A302F167-K169 PolarHBondContact O-N 3.26Å; F167-I170 PolarHBondContact O-N 3.49Å; F167-M171 HydrophobicContact CE1-CE 3.86Å; F167-M171 HydrophobicContact CZ-CE 4.14Å; F167-M171 WeakPolarHBondContact O-CB 3.38Å; F167-M171 PolarHBondContact O-N 3.46Å; F167-L298 HydrophobicContact CE1-CD2 3.27Å; F167-L298 HydrophobicContact CZ-CB 4.44Å; F167-L298 HydrophobicContact CZ-CD2 3.44Å; F167-L298 VanDerWaalsContact CZ-CD2 3.44Å; F167-I301 HydrophobicContact CD2-CB 4.21Å; F167-I301 HydrophobicContact CD2-CG2 3.38Å; F167-I301 HydrophobicContact CE2-CB 3.62Å; F167-I301 HydrophobicContact CE2-CG2 3.32Å; F167-I301 HydrophobicContact CG-CG2 4.19Å; F167-I301 HydrophobicContact CZ-CB 4.07Å; F167-I301 HydrophobicContact CZ-CG2 4.09Å; F167-A302 HydrophobicContact CE2-CB 4.35Å
168W88.7Confident83.6Confident185 Ų18582.2 Ų82.270%0.70139%0.387SS*.Hα-helixtrans-65.6-34.2177.8-68.8108.6000114.1T166 R172T166-W168 PolarHBondContact O-N 2.89Å; T166-W168 VanDerWaalsContact O-N 3.15Å; W168-R172 WeakPolarHBondContact O-CG 3.43Å; W168-R172 PolarHBondContact O-N 3.43Å
169K88.8Confident84.6Confident77 Ų7776.1 Ų76.134%0.33536%0.355SS..Hα-helixtrans-69.1-41.6175.9-74-179.9169.9-171.90111.2L142 E163 K164 T166 F167 R172 K173L142-K169 HydrophobicContact CD1-CB 3.42Å; L142-K169 VanDerWaalsContact CD1-CB 3.42Å; L142-K169 HydrophobicContact CD1-CD 4.34Å; L142-K169 HydrophobicContact CD1-CG 4.46Å; E163-K169 IonicContact OE1-NZ 3.79Å; E163-K169 PolarHBondContact OE1-NZ 3.35Å; K164-K169 PolarHBondContact O-NZ 3.23Å; T166-K169 WeakPolarHBondContact O-CB 3.26Å; T166-K169 PolarHBondContact O-N 2.81Å; T166-K169 WeakPolarHBondContact OG1-CG 3.28Å; T166-K169 PolarHBondContact OG1-N 3.44Å; F167-K169 PolarHBondContact O-N 3.26Å; K169-R172 PolarHBondContact O-N 3.36Å; K169-K173 PolarHBondContact O-N 3.47Å
170I89.2Confident85.8Confident0 Ų072.8 Ų72.80%034%0.337CS..Hα-helixtrans-60.9-48.5174.8-57.4176.2000109.5T133 A136 Y137 L142 I165 T166 F167 R172 K173 V174 I301T133-I170 HydrophobicContact CG2-CD1 4.03Å; T133-I170 HydrophobicContact CG2-CG2 4.4Å; T133-I170 WeakPolarHBondContact OG1-CG2 3.27Å; A136-I170 HydrophobicContact CB-CD1 4.16Å; A136-I170 HydrophobicContact CB-CG1 4.16Å; Y137-I170 HydrophobicContact CD2-CD1 4.36Å; Y137-I170 HydrophobicContact CE2-CD1 3.72Å; L142-I170 HydrophobicContact CD2-CG1 4.2Å; I165-I170 HydrophobicContact CG2-CD1 3.67Å; I165-I170 HydrophobicContact CG2-CG1 3.83Å; T166-I170 PolarHBondContact O-N 2.91Å; T166-I170 VanDerWaalsContact O-N 3.15Å; F167-I170 PolarHBondContact O-N 3.49Å; I170-R172 VanDerWaalsContact C-N 3.29Å; I170-R172 PolarHBondContact O-N 2.91Å; I170-K173 WeakPolarHBondContact O-CB 3.26Å; I170-K173 PolarHBondContact O-N 2.8Å; I170-V174 PolarHBondContact O-N 3.28Å; I170-I301 HydrophobicContact CG2-CD1 4.04Å; I170-I301 HydrophobicContact CG2-CG1 4.23Å; I170-I301 HydrophobicContact CG2-CG2 4.34Å
171M90.6Very high86.9Confident9 Ų967.7 Ų67.74%0.04431%0.309CS..Hα-helixtrans-52-47176.3-175.664.275.400112.2F167 K173 V174 Q175 Q297 L298 I301F167-M171 HydrophobicContact CE1-CE 3.86Å; F167-M171 HydrophobicContact CZ-CE 4.14Å; F167-M171 WeakPolarHBondContact O-CB 3.38Å; F167-M171 PolarHBondContact O-N 3.46Å; M171-K173 VanDerWaalsContact C-N 3.33Å; M171-K173 PolarHBondContact O-N 2.85Å; M171-V174 PolarHBondContact O-N 2.92Å; M171-Q175 WeakPolarHBondContact O-CA 3.38Å; M171-Q175 WeakPolarHBondContact O-CB 3.32Å; M171-Q175 PolarHBondContact O-N 2.93Å; M171-Q297 HydrophobicContact CE-CB 3.7Å; M171-Q297 HydrophobicContact SD-CB 3.32Å; M171-Q297 WeakPolarHBondContact SD-CB 3.49Å; M171-Q297 HydrophobicContact SD-CG 4Å; M171-Q297 PolarHBondContact SD-OE1 3.45Å; M171-L298 HydrophobicContact CE-CB 4.27Å; M171-L298 HydrophobicContact CE-CD2 3.4Å; M171-L298 VanDerWaalsContact CE-CD2 3.4Å; M171-L298 HydrophobicContact CE-CG 3.66Å; M171-I301 HydrophobicContact CB-CD1 4.13Å; M171-I301 HydrophobicContact CE-CD1 3.71Å; M171-I301 HydrophobicContact SD-CD1 3.95Å
172R91.8Very high88Confident192 Ų19262.2 Ų62.273%0.72527%0.274SS*.Hα-helixtrans-65.6-33.1177.6-76-176.565.2-166.1-2.6113.1W168 K169 I170 Q175W168-R172 WeakPolarHBondContact O-CG 3.43Å; W168-R172 PolarHBondContact O-N 3.43Å; K169-R172 PolarHBondContact O-N 3.36Å; I170-R172 VanDerWaalsContact C-N 3.29Å; I170-R172 PolarHBondContact O-N 2.91Å; R172-Q175 WeakPolarHBondContact O-CB 3.05Å
173K90.6Very high89.1Confident68 Ų6854.9 Ų54.930%0.29624%0.243SC..Hα-helixtrans-66.2-42.4178.7-177.971.7179.7-152.80111.7V132 L142 K169 I170 M171V132-K173 HydrophobicContact CG1-CG 4.22Å; L142-K173 HydrophobicContact CD2-CB 4.28Å; L142-K173 HydrophobicContact CD2-CG 4.34Å; L142-K173 PolarHBondContact O-NZ 3.42Å; K169-K173 PolarHBondContact O-N 3.47Å; I170-K173 WeakPolarHBondContact O-CB 3.26Å; I170-K173 PolarHBondContact O-N 2.8Å; M171-K173 VanDerWaalsContact C-N 3.33Å; M171-K173 PolarHBondContact O-N 2.85Å
174V91.7Very high90Very high1 Ų152.2 Ų52.21%0.00623%0.231CC..SBendtrans-92.82-179.2-58.90000113.7F128 I129 V132 I170 M171 M176 S178 Q297 I301F128-V174 HydrophobicContact CE1-CB 4.43Å; F128-V174 HydrophobicContact CE1-CG1 4.23Å; I129-V174 HydrophobicContact CG1-CB 4.32Å; I129-V174 HydrophobicContact CG1-CG2 4.25Å; I129-V174 HydrophobicContact CG2-CG2 4.37Å; V132-V174 HydrophobicContact CB-CG1 3.82Å; V132-V174 HydrophobicContact CG1-CG1 3.55Å; V132-V174 HydrophobicContact CG2-CG1 4.12Å; I170-V174 PolarHBondContact O-N 3.28Å; M171-V174 PolarHBondContact O-N 2.92Å; V174-M176 PolarHBondContact O-N 2.78Å; V174-S178 WeakPolarHBondContact O-CB 3.37Å; V174-S178 PolarHBondContact O-N 2.86Å; V174-S178 VanDerWaalsContact O-N 3.14Å; V174-S178 PolarHBondContact O-OG 3.5Å; V174-Q297 PolarHBondContact O-NE2 2.78Å; V174-I301 HydrophobicContact CG2-CD1 4.43Å
175Q93.8Very high90.5Very high53 Ų5344.1 Ų44.125%0.24820%0.196CC..Hα-helixtrans-60.9-46.6-173.2-179.5170.630.100112.3M171 R172 S178 I179 H294M171-Q175 WeakPolarHBondContact O-CA 3.38Å; M171-Q175 WeakPolarHBondContact O-CB 3.32Å; M171-Q175 PolarHBondContact O-N 2.93Å; R172-Q175 WeakPolarHBondContact O-CB 3.05Å; Q175-S178 PolarHBondContact O-N 2.92Å; Q175-I179 HydrophobicContact CG-CD1 3.51Å; Q175-I179 HydrophobicContact CG-CG1 4.16Å; Q175-I179 WeakPolarHBondContact O-CB 3.41Å; Q175-I179 VanDerWaalsContact O-CG1 3.24Å; Q175-I179 WeakPolarHBondContact O-CG1 3.3Å; Q175-I179 PolarHBondContact O-N 3.24Å; Q175-H294 PolarHBondContact NE2-CE1 3.35Å; Q175-H294 VanDerWaalsContact NE2-CE1 3.35Å
176M92.7Very high90.9Very high88 Ų8842.6 Ų42.643%0.43319%0.188SC..Hα-helixtrans-68.6-44.5-173.4-67.7-61.2158.200111.1V174 S178 I179 M180V174-M176 PolarHBondContact O-N 2.78Å; M176-S178 VanDerWaalsContact C-N 3.28Å; M176-S178 PolarHBondContact O-N 3.49Å; M176-I179 PolarHBondContact O-N 2.89Å; M176-M180 WeakPolarHBondContact O-CB 3.41Å; M176-M180 WeakPolarHBondContact O-CG 3.25Å; M176-M180 PolarHBondContact O-N 3.4Å
177E92.4Very high91.1Very high17 Ų1742.2 Ų42.28%0.07918%0.183CC..Hα-helixtrans-58-43175.5-67.382.5178.600111.5W99 W103 F128 M180 W181W99-E177 PolarHBondContact NE1-OE1 3.17Å; W99-E177 VanDerWaalsContact NE1-OE1 3.16Å; W103-E177 HydrophobicContact CD2-CB 4.17Å; W103-E177 HydrophobicContact CG-CB 4.2Å; W103-E177 HydrophobicContact CG-CG 4.46Å; W103-E177 HydrophobicContact CZ2-CB 4.47Å; F128-E177 HydrophobicContact CE1-CB 3.77Å; F128-E177 HydrophobicContact CE1-CG 3.76Å; F128-E177 HydrophobicContact CZ-CB 4.31Å; F128-E177 HydrophobicContact CZ-CG 3.78Å; E177-M180 PolarHBondContact O-N 3.23Å; E177-W181 WeakPolarHBondContact O-CB 3.49Å; E177-W181 PolarHBondContact O-N 2.98Å
178S93Very high91Very high0 Ų040.5 Ų40.50%018%0.176CC..Hα-helixtrans-73.1-40.1-177.8-47.10000111.9V174 Q175 M176 M180 W181 G182 V293 Q297V174-S178 WeakPolarHBondContact O-CB 3.37Å; V174-S178 PolarHBondContact O-N 2.86Å; V174-S178 VanDerWaalsContact O-N 3.14Å; V174-S178 PolarHBondContact O-OG 3.5Å; Q175-S178 PolarHBondContact O-N 2.92Å; M176-S178 VanDerWaalsContact C-N 3.28Å; M176-S178 PolarHBondContact O-N 3.49Å; S178-M180 VanDerWaalsContact C-N 3.34Å; S178-W181 PolarHBondContact O-N 3.36Å; S178-G182 PolarHBondContact O-N 3.39Å; S178-V293 VanDerWaalsContact O-CG2 3.27Å; S178-V293 WeakPolarHBondContact O-CG2 3.43Å; S178-Q297 PolarHBondContact OG-NE2 3.01Å
179I94.7Very high90.7Very high22 Ų2232 Ų3211%0.11314%0.144CC..Hα-helixtrans-62.5-43.8174.2-69.6172.9000110Q175 M176 W181 G182 L183 A289 L290Q175-I179 HydrophobicContact CG-CD1 3.51Å; Q175-I179 HydrophobicContact CG-CG1 4.16Å; Q175-I179 WeakPolarHBondContact O-CB 3.41Å; Q175-I179 VanDerWaalsContact O-CG1 3.24Å; Q175-I179 WeakPolarHBondContact O-CG1 3.3Å; Q175-I179 PolarHBondContact O-N 3.24Å; M176-I179 PolarHBondContact O-N 2.89Å; I179-W181 VanDerWaalsContact C-N 3.35Å; I179-W181 PolarHBondContact O-N 3.49Å; I179-G182 CarbonylContact O-C 3.29Å; I179-G182 PolarHBondContact O-N 3.13Å; I179-L183 WeakPolarHBondContact O-CB 3.48Å; I179-L183 PolarHBondContact O-N 3.44Å; I179-A289 WeakPolarHBondContact CG1-O 3.45Å; I179-A289 HydrophobicContact CG2-CB 4.39Å; I179-L290 HydrophobicContact CD1-CD2 4.07Å; I179-L290 HydrophobicContact CG1-CD2 4.26Å
180M94.2Very high90.5Very high38 Ų3829.5 Ų29.519%0.18713%0.134CC..Hα-helixtrans-63.2-41.3177.7-69.1-59.1154.100111.5W100 W103 V104 M176 E177 S178 L183 G184W100-M180 HydrophobicContact CB-CG 3.99Å; W100-M180 HydrophobicContact CB-SD 4.31Å; W100-M180 HydrophobicContact CD2-CE 4.42Å; W100-M180 HydrophobicContact CE3-CE 4.36Å; W100-M180 HydrophobicContact CG-CG 4.08Å; W103-M180 HydrophobicContact CB-CB 3.9Å; V104-M180 WeakPolarHBondContact CA-O 3.45Å; V104-M180 HydrophobicContact CG2-CB 3.92Å; V104-M180 HydrophobicContact CG2-CG 4.47Å; V104-M180 WeakPolarHBondContact CG2-O 3.42Å; V104-M180 HydrophobicContact CG2-SD 4.02Å; M176-M180 WeakPolarHBondContact O-CB 3.41Å; M176-M180 WeakPolarHBondContact O-CG 3.25Å; M176-M180 PolarHBondContact O-N 3.4Å; E177-M180 PolarHBondContact O-N 3.23Å; S178-M180 VanDerWaalsContact C-N 3.34Å; M180-L183 WeakPolarHBondContact O-CB 3.43Å; M180-L183 PolarHBondContact O-N 3.37Å; M180-L183 HydrophobicContact SD-CD2 4.32Å; M180-G184 PolarHBondContact O-N 2.84Å
181W92.6Very high90.2Very high5 Ų532.5 Ų32.52%0.01915%0.153CC..Hα-helixtrans-61.4-43171.4175.587.7000112.4W103 G107 F121 L125 E177 S178 I179 L183 G184 T185 V293W103-W181 HydrophobicContact CE3-CB 4.36Å; W103-W181 WeakPolarHBondContact O-CA 3.22Å; G107-W181 WeakPolarHBondContact CA-O 3.32Å; F121-W181 HydrophobicContact CB-CH2 4.22Å; F121-W181 HydrophobicContact CB-CZ2 3.92Å; F121-W181 HydrophobicContact CD2-CH2 4.08Å; F121-W181 HydrophobicContact CD2-CZ2 4.25Å; F121-W181 HydrophobicContact CD2-CZ3 4.47Å; L125-W181 HydrophobicContact CB-CD2 4.48Å; L125-W181 HydrophobicContact CB-CG 4.46Å; L125-W181 HydrophobicContact CD2-CB 4.12Å; L125-W181 HydrophobicContact CD2-CD2 3.5Å; L125-W181 VanDerWaalsContact CD2-CD2 3.5Å; L125-W181 HydrophobicContact CD2-CE3 3.43Å; L125-W181 VanDerWaalsContact CD2-CE3 3.43Å; L125-W181 HydrophobicContact CD2-CG 3.8Å; L125-W181 HydrophobicContact CD2-CZ3 4.08Å; E177-W181 WeakPolarHBondContact O-CB 3.49Å; E177-W181 PolarHBondContact O-N 2.98Å; S178-W181 PolarHBondContact O-N 3.36Å; I179-W181 VanDerWaalsContact C-N 3.35Å; I179-W181 PolarHBondContact O-N 3.49Å; W181-L183 VanDerWaalsContact C-N 3.35Å; W181-L183 PolarHBondContact O-N 3.37Å; W181-G184 PolarHBondContact O-N 2.9Å; W181-T185 PolarHBondContact O-N 3.33Å; W181-T185 PolarHBondContact O-OG1 3.08Å; W181-V293 HydrophobicContact CE3-CG2 3.71Å; W181-V293 HydrophobicContact CZ3-CG2 3.84Å
182G91.4Very high89.7Confident0 Ų033.9 Ų33.90%016%0.163CC..Hα-helixtrans-69-31.4177.500000113.5S178 I179 T185 A186S178-G182 PolarHBondContact O-N 3.39Å; I179-G182 CarbonylContact O-C 3.29Å; I179-G182 PolarHBondContact O-N 3.13Å; G182-T185 WeakPolarHBondContact O-CB 3.45Å; G182-T185 PolarHBondContact O-N 2.83Å; G182-A186 PolarHBondContact O-N 3.16Å
183L92.8Very high89.3Confident39 Ų3924.8 Ų24.820%0.20413%0.129CC..Hα-helixtrans-64.4-46169170.462.4000110.7V104 I179 M180 W181 T185 A186 L187 F281 F285 A289V104-L183 HydrophobicContact CG2-CD2 4.17Å; I179-L183 WeakPolarHBondContact O-CB 3.48Å; I179-L183 PolarHBondContact O-N 3.44Å; M180-L183 WeakPolarHBondContact O-CB 3.43Å; M180-L183 PolarHBondContact O-N 3.37Å; M180-L183 HydrophobicContact SD-CD2 4.32Å; W181-L183 VanDerWaalsContact C-N 3.35Å; W181-L183 PolarHBondContact O-N 3.37Å; L183-T185 VanDerWaalsContact C-N 3.29Å; L183-T185 PolarHBondContact O-N 2.93Å; L183-A186 WeakPolarHBondContact O-CB 3.49Å; L183-A186 PolarHBondContact O-N 3.1Å; L183-A186 VanDerWaalsContact O-N 3.14Å; L183-L187 HydrophobicContact CD1-CD1 4.48Å; L183-L187 HydrophobicContact CD1-CG 4.42Å; L183-L187 HydrophobicContact CG-CD1 4.42Å; L183-L187 WeakPolarHBondContact O-CG 3.16Å; L183-L187 PolarHBondContact O-N 3.39Å; L183-F281 HydrophobicContact CD1-CZ 4.36Å; L183-F285 HydrophobicContact CB-CD2 4.46Å; L183-F285 HydrophobicContact CB-CE2 4.11Å; L183-F285 HydrophobicContact CD1-CD2 3.6Å; L183-F285 HydrophobicContact CD1-CE2 3.69Å; L183-F285 HydrophobicContact CG-CE2 4.33Å; L183-A289 HydrophobicContact CB-CB 4.43Å
184G91.4Very high89.1Confident0 Ų026.4 Ų26.40%014%0.136CC..Hα-helixtrans-54.8-47.7172.200000111.8V104 G107 F108 M180 W181 A186 L187 G188V104-G184 WeakPolarHBondContact O-CA 3.17Å; G107-G184 CarbonylContact C-O 3.59Å; G107-G184 CarbonylContact O-C 3.52Å; F108-G184 WeakPolarHBondContact CA-O 3.47Å; F108-G184 VanDerWaalsContact N-C 3.3Å; F108-G184 PolarHBondContact N-O 2.87Å; M180-G184 PolarHBondContact O-N 2.84Å; W181-G184 PolarHBondContact O-N 2.9Å; G184-A186 VanDerWaalsContact C-N 3.32Å; G184-A186 PolarHBondContact O-N 3.33Å; G184-L187 WeakPolarHBondContact O-CB 3.13Å; G184-L187 PolarHBondContact O-N 3.29Å; G184-L187 VanDerWaalsContact O-N 3.1Å; G184-G188 PolarHBondContact O-N 2.89Å
185T88.2Confident88.4Confident2 Ų233.6 Ų33.61%0.01217%0.171CC..Hα-helixtrans-59.8-42176.5-52.20000110.9G107 S111 W181 G182 L183 L187 G188 E189 K288G107-T185 WeakPolarHBondContact O-CA 3.26Å; G107-T185 PolarHBondContact O-N 3.07Å; S111-T185 VanDerWaalsContact OG-CG2 3.23Å; S111-T185 WeakPolarHBondContact OG-CG2 3.47Å; W181-T185 PolarHBondContact O-N 3.33Å; W181-T185 PolarHBondContact O-OG1 3.08Å; G182-T185 WeakPolarHBondContact O-CB 3.45Å; G182-T185 PolarHBondContact O-N 2.83Å; L183-T185 VanDerWaalsContact C-N 3.29Å; L183-T185 PolarHBondContact O-N 2.93Å; T185-L187 VanDerWaalsContact C-N 3.33Å; T185-L187 PolarHBondContact O-N 3.22Å; T185-G188 PolarHBondContact O-N 3.43Å; T185-E189 WeakPolarHBondContact O-CG 3.44Å; T185-K288 HydrophobicContact CG2-CD 3.63Å
186A89.5Confident87.7Confident0 Ų031.6 Ų31.60%016%0.164CC..Hα-helixtrans-62.8-36.917500000113.1G182 L183 G184 T284G182-A186 PolarHBondContact O-N 3.16Å; L183-A186 WeakPolarHBondContact O-CB 3.49Å; L183-A186 PolarHBondContact O-N 3.1Å; L183-A186 VanDerWaalsContact O-N 3.14Å; G184-A186 VanDerWaalsContact C-N 3.32Å; G184-A186 PolarHBondContact O-N 3.33Å; A186-T284 HydrophobicContact CB-CG2 3.74Å
187L89.5Confident87.3Confident54 Ų5431.1 Ų31.128%0.28316%0.158SC..Hα-helixtrans-69.9-38.5176.4-70.3170.4000112.4V104 F108 L183 G184 T185 E189 L190 F281V104-L187 HydrophobicContact CG1-CD1 3.97Å; F108-L187 HydrophobicContact CD2-CB 3.98Å; L183-L187 HydrophobicContact CD1-CD1 4.48Å; L183-L187 HydrophobicContact CD1-CG 4.42Å; L183-L187 HydrophobicContact CG-CD1 4.42Å; L183-L187 WeakPolarHBondContact O-CG 3.16Å; L183-L187 PolarHBondContact O-N 3.39Å; G184-L187 WeakPolarHBondContact O-CB 3.13Å; G184-L187 PolarHBondContact O-N 3.29Å; G184-L187 VanDerWaalsContact O-N 3.1Å; T185-L187 VanDerWaalsContact C-N 3.33Å; T185-L187 PolarHBondContact O-N 3.22Å; L187-E189 PolarHBondContact O-N 3.23Å; L187-L190 HydrophobicContact CD2-CD1 4.01Å; L187-L190 WeakPolarHBondContact O-CB 3.15Å; L187-L190 WeakPolarHBondContact O-CG 3.21Å; L187-L190 PolarHBondContact O-N 3.01Å; L187-F281 HydrophobicContact CD2-CE2 3.89Å; L187-F281 HydrophobicContact CD2-CZ 4.2Å
188G84.7Confident86.6Confident1 Ų131.7 Ų31.71%0.0117%0.169CC..THydrogen-bonded Turntrans-65-10-178.800000114.3S111 G184 T185 P191S111-G188 CarbonylContact C-O 3.57Å; G184-G188 PolarHBondContact O-N 2.89Å; T185-G188 PolarHBondContact O-N 3.43Å; G188-P191 WeakPolarHBondContact O-CD 3.38Å
189E80.9Confident85.6Confident5 Ų534.5 Ų34.52%0.02319%0.192CC..THydrogen-bonded Turntrans-104.1-4.3-176.8-58.2-81.4-176.300113.4S111 T185 L187 P191 P192 F263 K288S111-E189 PolarHBondContact OG-OE1 3.41Å; T185-E189 WeakPolarHBondContact O-CG 3.44Å; L187-E189 PolarHBondContact O-N 3.23Å; E189-P191 VanDerWaalsContact C-N 3.35Å; E189-P192 WeakPolarHBondContact O-CD 3.35Å; E189-F263 HydrophobicContact CB-CD1 4.28Å; E189-F263 HydrophobicContact CB-CE1 3.47Å; E189-F263 VanDerWaalsContact CB-CE1 3.47Å; E189-F263 HydrophobicContact CB-CZ 4.35Å; E189-F263 HydrophobicContact CG-CD1 3.92Å; E189-F263 HydrophobicContact CG-CE1 3.49Å; E189-F263 VanDerWaalsContact CG-CE1 3.49Å; E189-K288 IonicContact OE1-NZ 2.59Å; E189-K288 PolarHBondContact OE1-NZ 3.47Å
190L85.9Confident84.6Confident26 Ų2637 Ų3714%0.13620%0.199CC..Hα-helixtrans-62.2-34.3170.1-65.4-176.3000113.5L187 Y193 F194 F277 F280 F281L187-L190 HydrophobicContact CD2-CD1 4.01Å; L187-L190 WeakPolarHBondContact O-CB 3.15Å; L187-L190 WeakPolarHBondContact O-CG 3.21Å; L187-L190 PolarHBondContact O-N 3.01Å; L190-Y193 PolarHBondContact O-N 3.01Å; L190-F194 HydrophobicContact CB-CD2 3.94Å; L190-F194 HydrophobicContact CB-CE2 3.89Å; L190-F194 HydrophobicContact CD1-CE2 4.3Å; L190-F194 HydrophobicContact CD2-CE2 4.43Å; L190-F194 HydrophobicContact CG-CE2 4.44Å; L190-F194 VanDerWaalsContact O-CD2 3.22Å; L190-F194 WeakPolarHBondContact O-CD2 3.41Å; L190-F194 PolarHBondContact O-N 3.24Å; L190-F277 HydrophobicContact CD1-CE2 4.2Å; L190-F277 HydrophobicContact CD1-CZ 4.39Å; L190-F277 HydrophobicContact CD2-CE2 3.62Å; L190-F277 HydrophobicContact CD2-CZ 4.35Å; L190-F280 HydrophobicContact CD2-CD1 4.46Å; L190-F280 HydrophobicContact CD2-CE1 4.04Å; L190-F281 HydrophobicContact CD2-CD2 4.07Å
191P81.7Confident83.6Confident62 Ų6240.2 Ų40.240%0.40322%0.217SC..Hα-helixtrans-58.2-48.5-179-19.930.2000113.8G188 E189 Y193 F194 M195G188-P191 WeakPolarHBondContact O-CD 3.38Å; E189-P191 VanDerWaalsContact C-N 3.35Å; P191-Y193 PolarHBondContact O-N 2.99Å; P191-F194 PolarHBondContact O-N 2.91Å; P191-M195 WeakPolarHBondContact O-CB 3.19Å; P191-M195 PolarHBondContact O-N 3.23Å
192P79.8Confident82.4Confident39 Ų3942.3 Ų42.325%0.25323%0.232SC..Hα-helixtrans-56.3-43.8173.3-27.233.8000114.2E189 M195 A196 V268E189-P192 WeakPolarHBondContact O-CD 3.35Å; P192-M195 PolarHBondContact O-N 2.93Å; P192-A196 WeakPolarHBondContact O-CB 3.38Å; P192-A196 PolarHBondContact O-N 2.71Å; P192-V268 HydrophobicContact CB-CG2 4.09Å
193Y84.5Confident80.6Confident0 Ų042.3 Ų42.30%023%0.233CC..Hα-helixtrans-61.2-49.3177.6168.2-92.3000111.9L190 P191 M195 A196 R197 G267 C270 G271 V275 F277 F280L190-Y193 PolarHBondContact O-N 3.01Å; P191-Y193 PolarHBondContact O-N 2.99Å; Y193-M195 VanDerWaalsContact C-N 3.34Å; Y193-A196 PolarHBondContact O-N 3Å; Y193-R197 WeakPolarHBondContact O-CB 3.04Å; Y193-R197 PolarHBondContact O-N 2.95Å; Y193-R197 PolarHBondContact OH-NH1 3.01Å; Y193-G267 WeakPolarHBondContact CA-O 3.43Å; Y193-C270 HydrophobicContact CD2-CB 4.09Å; Y193-C270 HydrophobicContact CE2-CB 4.26Å; Y193-G271 WeakPolarHBondContact O-CA 3.36Å; Y193-V275 PolarHBondContact OH-O 3.5Å; Y193-F277 HydrophobicContact CD1-CD2 4.42Å; Y193-F277 HydrophobicContact CE1-CB 4.37Å; Y193-F277 AromaticContact CE1-CD2 3.93Å; Y193-F277 HydrophobicContact CE1-CD2 3.93Å; Y193-F277 WeakPolarHBondContact OH-CA 3.32Å; Y193-F277 PolarHBondContact OH-N 3.48Å; Y193-F280 HydrophobicContact CD1-CD1 4.25Å; Y193-F280 HydrophobicContact CD1-CE1 4.39Å; Y193-F280 HydrophobicContact CD2-CB 4.46Å; Y193-F280 AromaticContact CD2-CD1 3.63Å; Y193-F280 HydrophobicContact CD2-CD1 3.63Å; Y193-F280 HydrophobicContact CD2-CD2 4.36Å; Y193-F280 AromaticContact CD2-CE1 3.89Å; Y193-F280 HydrophobicContact CD2-CE1 3.89Å; Y193-F280 AromaticContact CD2-CG 3.89Å; Y193-F280 HydrophobicContact CD2-CG 3.89Å; Y193-F280 HydrophobicContact CD2-CZ 4.36Å; Y193-F280 HydrophobicContact CE2-CB 4.2Å; Y193-F280 HydrophobicContact CE2-CD1 4.08Å; Y193-F280 HydrophobicContact CE2-CG 4.13Å; Y193-F280 AromaticContact CG-CD1 3.73Å; Y193-F280 HydrophobicContact CG-CD1 3.73Å; Y193-F280 AromaticContact CG-CE1 3.68Å; Y193-F280 HydrophobicContact CG-CE1 3.68Å; Y193-F280 HydrophobicContact CG-CG 4.45Å; Y193-F280 HydrophobicContact CG-CZ 4.36Å
194F85.4Confident78.7Confident102 Ų10248 Ų4845%0.44726%0.258SS..Hα-helixtrans-69.2-33.9179.1-75.8-60.6000112.5L190 P191 G198 F277L190-F194 HydrophobicContact CB-CD2 3.94Å; L190-F194 HydrophobicContact CB-CE2 3.89Å; L190-F194 HydrophobicContact CD1-CE2 4.3Å; L190-F194 HydrophobicContact CD2-CE2 4.43Å; L190-F194 HydrophobicContact CG-CE2 4.44Å; L190-F194 VanDerWaalsContact O-CD2 3.22Å; L190-F194 WeakPolarHBondContact O-CD2 3.41Å; L190-F194 PolarHBondContact O-N 3.24Å; P191-F194 PolarHBondContact O-N 2.91Å; F194-G198 WeakPolarHBondContact O-CA 3.38Å; F194-G198 PolarHBondContact O-N 3.35Å; F194-F277 HydrophobicContact CE1-CD2 4.26Å; F194-F277 HydrophobicContact CE2-CD2 4.39Å; F194-F277 HydrophobicContact CE2-CE2 4.03Å; F194-F277 AromaticContact CZ-CD2 3.67Å; F194-F277 HydrophobicContact CZ-CD2 3.67Å; F194-F277 AromaticContact CZ-CE2 3.63Å; F194-F277 HydrophobicContact CZ-CE2 3.63Å
195M78.2Confident76.4Confident152 Ų15252.3 Ų52.375%0.74928%0.278SS*.Hα-helixtrans-64.1-48.9175-176.9177.1176.600110.7P191 P192 Y193 G198 A199P191-M195 WeakPolarHBondContact O-CB 3.19Å; P191-M195 PolarHBondContact O-N 3.23Å; P192-M195 PolarHBondContact O-N 2.93Å; Y193-M195 VanDerWaalsContact C-N 3.34Å; M195-G198 PolarHBondContact O-N 3.3Å; M195-A199 VanDerWaalsContact O-CB 3.25Å; M195-A199 WeakPolarHBondContact O-CB 3.49Å; M195-A199 PolarHBondContact O-N 3.46Å
196A79Confident74.5Confident12 Ų1253.9 Ų53.910%0.09929%0.289CS..Hα-helixtrans-67.8-40.3178.400000112.3P192 Y193 A199 R200 V268P192-A196 WeakPolarHBondContact O-CB 3.38Å; P192-A196 PolarHBondContact O-N 2.71Å; Y193-A196 PolarHBondContact O-N 3Å; A196-A199 PolarHBondContact O-N 3.43Å; A196-R200 PolarHBondContact O-N 3.48Å; A196-V268 HydrophobicContact CB-CB 4.35Å; A196-V268 HydrophobicContact CB-CG1 4Å; A196-V268 WeakPolarHBondContact CB-O 3.41Å
197R83.4Confident72.5Confident77 Ų7756 Ų5629%0.29130%0.3SS..Hα-helixtrans-63.3-45174.3-175.9170.5-178177.4-3.1111.9Y193 A199 R200 L201 G271 L274Y193-R197 WeakPolarHBondContact O-CB 3.04Å; Y193-R197 PolarHBondContact O-N 2.95Å; Y193-R197 PolarHBondContact OH-NH1 3.01Å; R197-A199 VanDerWaalsContact C-N 3.32Å; R197-R200 PolarHBondContact O-N 3.25Å; R197-L201 HydrophobicContact CG-CD1 4.06Å; R197-L201 WeakPolarHBondContact O-CB 3.33Å; R197-L201 VanDerWaalsContact O-CG 3.31Å; R197-L201 WeakPolarHBondContact O-CG 2.99Å; R197-L201 PolarHBondContact O-N 2.88Å; R197-G271 WeakPolarHBondContact CA-O 3.45Å; R197-L274 HydrophobicContact CG-CD2 3.77Å
198G77.2Confident70.4Confident30 Ų3056.6 Ų56.631%0.30930%0.302SS..Hα-helixtrans-63.7-38.8175.100000111.7F194 M195 S202F194-G198 WeakPolarHBondContact O-CA 3.38Å; F194-G198 PolarHBondContact O-N 3.35Å; M195-G198 PolarHBondContact O-N 3.3Å; G198-S202 WeakPolarHBondContact O-CB 3.32Å; G198-S202 PolarHBondContact O-N 2.84Å; G198-S202 PolarHBondContact O-OG 3.2Å
199A73.4Confident68.4Low59 Ų5957.5 Ų57.549%0.48831%0.306SS..Hα-helixtrans-65.1-41.1175.100000112.1M195 A196 R197 S202 G203M195-A199 VanDerWaalsContact O-CB 3.25Å; M195-A199 WeakPolarHBondContact O-CB 3.49Å; M195-A199 PolarHBondContact O-N 3.46Å; A196-A199 PolarHBondContact O-N 3.43Å; R197-A199 VanDerWaalsContact C-N 3.32Å; A199-S202 CarbonylContact O-C 3.46Å; A199-G203 WeakPolarHBondContact O-CA 3.2Å; A199-G203 PolarHBondContact O-N 2.85Å
200R72.4Confident66.9Low73 Ų7362.1 Ų62.128%0.27533%0.331SS..Hα-helixtrans-70.2-42175-177.368.9177.693.89.5112.8A196 R197 S202 G203 E204 D207 H272 L274A196-R200 PolarHBondContact O-N 3.48Å; R197-R200 PolarHBondContact O-N 3.25Å; R200-S202 VanDerWaalsContact C-N 3.33Å; R200-G203 VanDerWaalsContact C-N 3.32Å; R200-G203 CarbonylContact O-C 3.58Å; R200-G203 WeakPolarHBondContact O-CA 3.26Å; R200-G203 PolarHBondContact O-N 3.32Å; R200-E204 PolarHBondContact O-N 3.35Å; R200-E204 VanDerWaalsContact O-N 3.16Å; R200-D207 IonicContact CZ-OD2 2.66Å; R200-D207 IonicContact NE-OD2 2.9Å; R200-D207 IonicContact NH1-OD2 3.69Å; R200-D207 PolarHBondContact NH1-OD2 3.14Å; R200-H272 VanDerWaalsContact CG-O 3.27Å; R200-H272 WeakPolarHBondContact CG-O 3.37Å; R200-L274 HydrophobicContact CB-CD2 4.23Å; R200-L274 HydrophobicContact CG-CD2 4.16Å; R200-L274 HydrophobicContact CG-CG 4.26Å
201L73.1Confident65.1Low107 Ų10766.1 Ų66.156%0.5635%0.352SS*.Hα-helixtrans-66.7-35.7175.4-70.8173.1000112R197 L274R197-L201 HydrophobicContact CG-CD1 4.06Å; R197-L201 WeakPolarHBondContact O-CB 3.33Å; R197-L201 VanDerWaalsContact O-CG 3.31Å; R197-L201 WeakPolarHBondContact O-CG 2.99Å; R197-L201 PolarHBondContact O-N 2.88Å; L201-L274 HydrophobicContact CD2-CD1 4.27Å; L201-L274 HydrophobicContact CD2-CD2 4.08Å; L201-L274 HydrophobicContact CG-CD2 3.96Å
202S67.4Low63.2Low48 Ų4865.3 Ų65.334%0.33634%0.344SS..THydrogen-bonded Turntrans-75.8-13.9166.9-50.50000111.8G198 A199 R200 H205 S206 R382G198-S202 WeakPolarHBondContact O-CB 3.32Å; G198-S202 PolarHBondContact O-N 2.84Å; G198-S202 PolarHBondContact O-OG 3.2Å; A199-S202 CarbonylContact O-C 3.46Å; R200-S202 VanDerWaalsContact C-N 3.33Å; S202-H205 VanDerWaalsContact O-CA 3.27Å; S202-H205 WeakPolarHBondContact O-CA 3.48Å; S202-H205 WeakPolarHBondContact O-CB 3.31Å; S202-H205 PolarHBondContact O-N 3.4Å; S202-S206 PolarHBondContact O-N 3.21Å; S202-R382 PolarHBondContact OG-NH1 2.97Å
203G55.1Low61.5Low1 Ų168.5 Ų68.51%0.0136%0.356CS..G310 helixtrans-85.7-17.9-170.900000113A199 R200 H205 S206 D207A199-G203 WeakPolarHBondContact O-CA 3.2Å; A199-G203 PolarHBondContact O-N 2.85Å; R200-G203 VanDerWaalsContact C-N 3.32Å; R200-G203 CarbonylContact O-C 3.58Å; R200-G203 WeakPolarHBondContact O-CA 3.26Å; R200-G203 PolarHBondContact O-N 3.32Å; G203-H205 PolarHBondContact O-N 3.2Å; G203-S206 PolarHBondContact O-N 3.29Å; G203-D207 VanDerWaalsContact O-CB 3.26Å; G203-D207 WeakPolarHBondContact O-CB 3.45Å; G203-D207 VanDerWaalsContact O-CG 3.29Å; G203-D207 PolarHBondContact O-N 2.95Å
204E51.2Low59.8Low158 Ų15874.1 Ų74.174%0.73838%0.382SS*.G310 helixtrans-49.6-20.4151.7-155.891.3-177.800111.1R200R200-E204 PolarHBondContact O-N 3.35Å; R200-E204 VanDerWaalsContact O-N 3.16Å
205H44.5Very low57.7Low90 Ų9072.3 Ų72.342%0.41738%0.382SS..G310 helixtrans-104.5-14.9173-131.263.3000115.6K21 S202 G203 R389K21-H205 VanDerWaalsContact CD-CD2 3.44Å; K21-H205 WeakPolarHBondContact CD-CD2 3.38Å; K21-H205 WeakPolarHBondContact CD-O 3.37Å; K21-H205 WeakPolarHBondContact CE-CD2 3.3Å; K21-H205 WeakPolarHBondContact CE-NE2 3.42Å; K21-H205 PolarHBondContact NZ-CD2 3.42Å; K21-H205 PolarHBondContact NZ-ND1 3.44Å; K21-H205 PolarHBondContact NZ-O 2.96Å; S202-H205 VanDerWaalsContact O-CA 3.27Å; S202-H205 WeakPolarHBondContact O-CA 3.48Å; S202-H205 WeakPolarHBondContact O-CB 3.31Å; S202-H205 PolarHBondContact O-N 3.4Å; G203-H205 PolarHBondContact O-N 3.2Å; H205-R389 PolarHBondContact NE2-NH1 3.05Å; H205-R389 VanDerWaalsContact NE2-NH1 3.14Å
206S48.4Very low56Low35 Ų3569.4 Ų69.425%0.24537%0.368CS..THydrogen-bonded Turntrans-125.3-11.9-172.7-1740000115S202 G203 L209 L210S202-S206 PolarHBondContact O-N 3.21Å; G203-S206 PolarHBondContact O-N 3.29Å; S206-L209 VanDerWaalsContact C-N 3.3Å; S206-L209 CarbonylContact O-C 3.6Å; S206-L209 VanDerWaalsContact O-CA 3.27Å; S206-L209 WeakPolarHBondContact O-CA 3.3Å; S206-L209 WeakPolarHBondContact O-CB 3.27Å; S206-L209 PolarHBondContact O-N 3.42Å; S206-L210 PolarHBondContact O-N 3.31Å
207D46.7Very low54.3Low44 Ų4471.6 Ų71.624%0.23538%0.383CS..Hα-helixtrans-66.6-33.5166.7-66.7-24000108.6R200 G203 L209 L210 D211R200-D207 IonicContact CZ-OD2 2.66Å; R200-D207 IonicContact NE-OD2 2.9Å; R200-D207 IonicContact NH1-OD2 3.69Å; R200-D207 PolarHBondContact NH1-OD2 3.14Å; G203-D207 VanDerWaalsContact O-CB 3.26Å; G203-D207 WeakPolarHBondContact O-CB 3.45Å; G203-D207 VanDerWaalsContact O-CG 3.29Å; G203-D207 PolarHBondContact O-N 2.95Å; D207-L209 PolarHBondContact O-N 3.32Å; D207-L210 PolarHBondContact O-N 3.45Å; D207-D211 VanDerWaalsContact O-CB 3.24Å; D207-D211 WeakPolarHBondContact O-CB 3.42Å; D207-D211 PolarHBondContact O-N 2.95Å
208E45.1Very low52.6Low67 Ų6772 Ų7231%0.31340%0.398SS..Hα-helixtrans-52.4-38.6160.1-91.9-177156.200112.2V14 L18 K21 I212V14-E208 WeakPolarHBondContact CG1-OE1 3.48Å; L18-E208 HydrophobicContact CD1-CB 4.07Å; K21-E208 IonicContact NZ-OE2 3.39Å; K21-E208 PolarHBondContact NZ-OE2 3.22Å; E208-I212 WeakPolarHBondContact O-CB 3.1Å; E208-I212 WeakPolarHBondContact O-CD1 3.2Å; E208-I212 WeakPolarHBondContact O-CG1 3.36Å; E208-I212 PolarHBondContact O-N 3Å
209L43.7Very low51Low20 Ų2077.5 Ų77.511%0.10542%0.42CS..Hα-helixtrans-77.8-35.4-178.1-160.879000112.4L18 V22 K25 S206 D207 Q213L18-L209 HydrophobicContact CD1-CB 4.47Å; L18-L209 HydrophobicContact CD1-CD1 3.85Å; L18-L209 HydrophobicContact CG-CD1 4.29Å; V22-L209 HydrophobicContact CB-CD1 4.38Å; V22-L209 HydrophobicContact CG2-CD1 3.31Å; K25-L209 HydrophobicContact CD-CD2 3.5Å; K25-L209 VanDerWaalsContact CD-CD2 3.5Å; S206-L209 VanDerWaalsContact C-N 3.3Å; S206-L209 CarbonylContact O-C 3.6Å; S206-L209 VanDerWaalsContact O-CA 3.27Å; S206-L209 WeakPolarHBondContact O-CA 3.3Å; S206-L209 WeakPolarHBondContact O-CB 3.27Å; S206-L209 PolarHBondContact O-N 3.42Å; D207-L209 PolarHBondContact O-N 3.32Å; L209-Q213 WeakPolarHBondContact O-CA 3.42Å; L209-Q213 WeakPolarHBondContact O-CB 3.38Å; L209-Q213 PolarHBondContact O-N 3.46Å
210L49.2Very low49.4Very low102 Ų10281.9 Ų81.953%0.53443%0.431SS..Hα-helixtrans-78.6-41.7177.2-77.3173.5000111.7S206 D207 I212 Q213 E214S206-L210 PolarHBondContact O-N 3.31Å; D207-L210 PolarHBondContact O-N 3.45Å; L210-I212 PolarHBondContact O-N 3.49Å; L210-Q213 PolarHBondContact O-N 2.79Å; L210-E214 VanDerWaalsContact O-CB 3.23Å; L210-E214 WeakPolarHBondContact O-CB 3.06Å; L210-E214 PolarHBondContact O-N 2.82Å
211D47.1Very low47.6Very low110 Ų11085.7 Ų85.759%0.58846%0.456SS*.Hα-helixtrans-61.3-37.6171.4-75.2-11.4000110.3D207 S215D207-D211 VanDerWaalsContact O-CB 3.24Å; D207-D211 WeakPolarHBondContact O-CB 3.42Å; D207-D211 PolarHBondContact O-N 2.95Å; D211-S215 VanDerWaalsContact O-CB 3.31Å; D211-S215 WeakPolarHBondContact O-CB 3.23Å; D211-S215 PolarHBondContact O-N 2.86Å
212I42.2Very low46Very low46 Ų4686.3 Ų86.324%0.23647%0.465CS..Hα-helixtrans-77.1-38.4176.8-65168.6000111.3L18 E208 L210 E214 S215 I216L18-I212 HydrophobicContact CD1-CD1 3.83Å; L18-I212 HydrophobicContact CD2-CB 4Å; L18-I212 HydrophobicContact CD2-CD1 3.23Å; L18-I212 HydrophobicContact CD2-CG1 4.15Å; L18-I212 HydrophobicContact CD2-CG2 3.64Å; L18-I212 HydrophobicContact CG-CD1 4.07Å; E208-I212 WeakPolarHBondContact O-CB 3.1Å; E208-I212 WeakPolarHBondContact O-CD1 3.2Å; E208-I212 WeakPolarHBondContact O-CG1 3.36Å; E208-I212 PolarHBondContact O-N 3Å; L210-I212 PolarHBondContact O-N 3.49Å; I212-E214 VanDerWaalsContact C-N 3.32Å; I212-E214 PolarHBondContact O-N 3.44Å; I212-S215 WeakPolarHBondContact CA-OG 3.47Å; I212-S215 CarbonylContact O-C 3.46Å; I212-S215 PolarHBondContact O-N 2.85Å; I212-S215 PolarHBondContact O-OG 3.13Å; I212-I216 HydrophobicContact CG2-CD1 3.67Å; I212-I216 HydrophobicContact CG2-CG1 4.23Å; I212-I216 WeakPolarHBondContact O-CB 3.46Å; I212-I216 WeakPolarHBondContact O-CD1 3.47Å; I212-I216 WeakPolarHBondContact O-CG1 3.4Å; I212-I216 PolarHBondContact O-N 2.91Å
213Q43.6Very low44.7Very low106 Ų10690.3 Ų90.350%0.49549%0.489SS..Hα-helixtrans-62.6-40.1172.1-173.671.233.500110.8L209 L210 I216 S217L209-Q213 WeakPolarHBondContact O-CA 3.42Å; L209-Q213 WeakPolarHBondContact O-CB 3.38Å; L209-Q213 PolarHBondContact O-N 3.46Å; L210-Q213 PolarHBondContact O-N 2.79Å; Q213-I216 PolarHBondContact O-N 3.05Å; Q213-S217 WeakPolarHBondContact O-CB 3.19Å; Q213-S217 PolarHBondContact O-N 3.36Å; Q213-S217 PolarHBondContact O-OG 3.17Å
214E48.7Very low43.9Very low118 Ų11895.7 Ų95.755%0.55152%0.518SS*.Hα-helixtrans-68.1-39.1175.2-170.5163.2-157.600110.7L210 I212 I216 S217 S218L210-E214 VanDerWaalsContact O-CB 3.23Å; L210-E214 WeakPolarHBondContact O-CB 3.06Å; L210-E214 PolarHBondContact O-N 2.82Å; I212-E214 VanDerWaalsContact C-N 3.32Å; I212-E214 PolarHBondContact O-N 3.44Å; E214-I216 VanDerWaalsContact C-N 3.33Å; E214-I216 PolarHBondContact O-N 3.45Å; E214-S217 PolarHBondContact O-N 2.67Å; E214-S218 VanDerWaalsContact O-CB 3.25Å; E214-S218 WeakPolarHBondContact O-CB 3.35Å; E214-S218 PolarHBondContact O-N 3.41Å; E214-S218 PolarHBondContact O-OG 3.41Å
215S42.9Very low43.6Very low64 Ų6494.8 Ų94.845%0.44852%0.518SS..Hα-helixtrans-62.8-36.9171.180.80000112.8D211 I212 S218D211-S215 VanDerWaalsContact O-CB 3.31Å; D211-S215 WeakPolarHBondContact O-CB 3.23Å; D211-S215 PolarHBondContact O-N 2.86Å; I212-S215 WeakPolarHBondContact CA-OG 3.47Å; I212-S215 CarbonylContact O-C 3.46Å; I212-S215 PolarHBondContact O-N 2.85Å; I212-S215 PolarHBondContact O-OG 3.13Å; S215-S218 PolarHBondContact O-OG 3.48Å
216I42.3Very low43.7Very low90 Ų9093.9 Ų93.946%0.46252%0.521SS..Hα-helixtrans-75.6-40.5177.6-68.8165.2000110.9I212 Q213 E214 N219I212-I216 HydrophobicContact CG2-CD1 3.67Å; I212-I216 HydrophobicContact CG2-CG1 4.23Å; I212-I216 WeakPolarHBondContact O-CB 3.46Å; I212-I216 WeakPolarHBondContact O-CD1 3.47Å; I212-I216 WeakPolarHBondContact O-CG1 3.4Å; I212-I216 PolarHBondContact O-N 2.91Å; Q213-I216 PolarHBondContact O-N 3.05Å; E214-I216 VanDerWaalsContact C-N 3.33Å; E214-I216 PolarHBondContact O-N 3.45Å; I216-N219 WeakPolarHBondContact O-CB 3.42Å; I216-N219 PolarHBondContact O-N 3.3Å; I216-N219 VanDerWaalsContact O-N 3.15Å
217S42.7Very low43.7Very low58 Ų5897 Ų9741%0.40654%0.536SS..Hα-helixtrans-70.4-34179.8-51.30000111.4Q213 E214 N219 Q220Q213-S217 WeakPolarHBondContact O-CB 3.19Å; Q213-S217 PolarHBondContact O-N 3.36Å; Q213-S217 PolarHBondContact O-OG 3.17Å; E214-S217 PolarHBondContact O-N 2.67Å; S217-N219 PolarHBondContact O-N 2.93Å; S217-N219 VanDerWaalsContact O-N 3.11Å; S217-Q220 PolarHBondContact O-N 3.44Å
218S47.2Very low43.6Very low87 Ų87102.1 Ų102.161%0.60856%0.558SS**THydrogen-bonded Turntrans-61.9-16.6172.274.30000113.1E214 S215E214-S218 VanDerWaalsContact O-CB 3.25Å; E214-S218 WeakPolarHBondContact O-CB 3.35Å; E214-S218 PolarHBondContact O-N 3.41Å; E214-S218 PolarHBondContact O-OG 3.41Å; S215-S218 PolarHBondContact O-OG 3.48Å
219N43.9Very low43.8Very low145 Ų145103 Ų10378%0.77557%0.568SS**THydrogen-bonded Turntrans-96.6-0.5177-141.821.7000113.5I216 S217I216-N219 WeakPolarHBondContact O-CB 3.42Å; I216-N219 PolarHBondContact O-N 3.3Å; I216-N219 VanDerWaalsContact O-N 3.15Å; S217-N219 PolarHBondContact O-N 2.93Å; S217-N219 VanDerWaalsContact O-N 3.11Å
220Q38.9Very low44.5Very low151 Ų151104.5 Ų104.571%0.70658%0.578SS**SBendtrans-122.491.9175.2-67.9-169.7-2.200110.5S217 T222S217-Q220 PolarHBondContact O-N 3.44Å; Q220-T222 PolarHBondContact O-N 3.35Å
221N35.7Very low45.3Very low153 Ų153103.3 Ų103.382%0.81858%0.575SS**  trans-66.495.6174.7-68.6-27.6000111.3
222T38.8Very low46.3Very low119 Ų119105.2 Ų105.273%0.7358%0.578SS**  trans-137.6106.2157.5380000108.6Q220 D224Q220-T222 PolarHBondContact O-N 3.35Å; T222-D224 VanDerWaalsContact C-N 3.33Å; T222-D224 PolarHBondContact O-N 2.93Å
223P40Very low47.3Very low132 Ų132108.6 Ų108.686%0.85759%0.593SS**  trans-80.985.1177.632.3-28.9000107.9
224D38.2Very low48.3Very low114 Ų114107.6 Ų107.661%0.6159%0.587SS**  trans-101.8146176.5-142.4-7.8000110.3T222 S226 D227T222-D224 VanDerWaalsContact C-N 3.33Å; T222-D224 PolarHBondContact O-N 2.93Å; D224-S226 WeakPolarHBondContact O-CA 3.32Å; D224-S226 PolarHBondContact O-N 3.26Å; D224-S226 PolarHBondContact O-OG 2.85Å; D224-D227 PolarHBondContact O-N 2.61Å
225L45.6Very low49.5Very low140 Ų140109 Ų10973%0.73359%0.591SS**THydrogen-bonded Turntrans-40.1-18.9-173-114.1140.6000116.5D227L225-D227 VanDerWaalsContact C-N 3.28Å; L225-D227 PolarHBondContact O-N 3.5Å
226S46.2Very low50.7Low71 Ų71107.2 Ų107.250%0.49758%0.58SS.*Hα-helixtrans-50.2-38.8165.466.60000114.3D224 Q228 T229 V230D224-S226 WeakPolarHBondContact O-CA 3.32Å; D224-S226 PolarHBondContact O-N 3.26Å; D224-S226 PolarHBondContact O-OG 2.85Å; S226-Q228 VanDerWaalsContact C-N 3.28Å; S226-Q228 PolarHBondContact O-N 3.07Å; S226-T229 PolarHBondContact O-N 3.43Å; S226-T229 PolarHBondContact O-OG1 2.87Å; S226-V230 WeakPolarHBondContact O-CG2 3.38Å; S226-V230 PolarHBondContact O-N 3.22Å
227D48.2Very low52.1Low101 Ų101106.7 Ų106.754%0.5458%0.576SS.*Hα-helixtrans-66-30.9-170.8-159.733.1000112.6D224 L225 T231D224-D227 PolarHBondContact O-N 2.61Å; L225-D227 VanDerWaalsContact C-N 3.28Å; L225-D227 PolarHBondContact O-N 3.5Å; D227-T231 VanDerWaalsContact O-CB 3.22Å; D227-T231 WeakPolarHBondContact O-CB 3.3Å; D227-T231 PolarHBondContact O-N 3.27Å; D227-T231 PolarHBondContact O-OG1 3.27Å
228Q44.9Very low53.5Low151 Ų151112.9 Ų112.971%0.70659%0.59SS**Hα-helixtrans-71.2-39.9177.5-165.4176.315.200112.4S226 T231 F232S226-Q228 VanDerWaalsContact C-N 3.28Å; S226-Q228 PolarHBondContact O-N 3.07Å; Q228-T231 PolarHBondContact O-N 2.99Å; Q228-F232 PolarHBondContact O-N 2.96Å
229T50Low55Low86 Ų86114.7 Ų114.753%0.52859%0.588SS.*Hα-helixtrans-69.2-42.7176.861.90000111.5S226 T231 F232 Q233S226-T229 PolarHBondContact O-N 3.43Å; S226-T229 PolarHBondContact O-OG1 2.87Å; T229-T231 VanDerWaalsContact C-N 3.26Å; T229-T231 PolarHBondContact O-N 3.44Å; T229-F232 PolarHBondContact O-N 3.48Å; T229-Q233 WeakPolarHBondContact O-CG 3.28Å; T229-Q233 PolarHBondContact O-N 2.94Å
230V57.3Low56.4Low51 Ų51108 Ų10831%0.30955%0.551SS.*Hα-helixtrans-61.6-38.2174.2-179.80000109.9S226 K234S226-V230 WeakPolarHBondContact O-CG2 3.38Å; S226-V230 PolarHBondContact O-N 3.22Å; V230-K234 HydrophobicContact CG1-CD 3.96Å; V230-K234 HydrophobicContact CG1-CG 4.35Å; V230-K234 VanDerWaalsContact O-CB 3.28Å; V230-K234 WeakPolarHBondContact O-CB 3.39Å; V230-K234 WeakPolarHBondContact O-CG 3.27Å; V230-K234 PolarHBondContact O-N 3.1Å
231T66.7Low58.2Low76 Ų76103.6 Ų103.647%0.46653%0.531SS..Hα-helixtrans-66.4-44.3176.4-63.70000112.5D227 Q228 T229 K234 K235D227-T231 VanDerWaalsContact O-CB 3.22Å; D227-T231 WeakPolarHBondContact O-CB 3.3Å; D227-T231 PolarHBondContact O-N 3.27Å; D227-T231 PolarHBondContact O-OG1 3.27Å; Q228-T231 PolarHBondContact O-N 2.99Å; T229-T231 VanDerWaalsContact C-N 3.26Å; T229-T231 PolarHBondContact O-N 3.44Å; T231-K234 PolarHBondContact O-N 3.43Å; T231-K235 VanDerWaalsContact O-CB 3.26Å; T231-K235 WeakPolarHBondContact O-CB 3.38Å; T231-K235 PolarHBondContact O-N 3.04Å
232F69Low60.2Low150 Ų150101.6 Ų101.666%0.65852%0.517SS*.Hα-helixtrans-65-43.6177.7-177.7-98.4000111.7Q228 T229 K235 A236Q228-F232 PolarHBondContact O-N 2.96Å; T229-F232 PolarHBondContact O-N 3.48Å; F232-K235 PolarHBondContact O-N 3.27Å; F232-A236 WeakPolarHBondContact O-CB 3.42Å; F232-A236 PolarHBondContact O-N 3.21Å
233Q62.4Low62.1Low117 Ų11798.8 Ų98.855%0.54750%0.497SS..Hα-helixtrans-59.4-51.1174.3-72.9179.2-41.200111.1T229 K235 A236 E237T229-Q233 WeakPolarHBondContact O-CG 3.28Å; T229-Q233 PolarHBondContact O-N 2.94Å; Q233-K235 VanDerWaalsContact C-N 3.28Å; Q233-K235 PolarHBondContact O-N 2.89Å; Q233-A236 WeakPolarHBondContact O-CB 3.41Å; Q233-A236 PolarHBondContact O-N 3.43Å; Q233-A236 VanDerWaalsContact O-N 3.12Å; Q233-E237 VanDerWaalsContact O-CG 3.32Å; Q233-E237 WeakPolarHBondContact O-CG 3.02Å; Q233-E237 PolarHBondContact O-N 3.48Å
234K65.2Low63.9Low86 Ų8693.2 Ų93.237%0.37446%0.459SS..Hα-helixtrans-58.9-37.3175.6-75.2179177.7-177.90112.5V230 T231 R238V230-K234 HydrophobicContact CG1-CD 3.96Å; V230-K234 HydrophobicContact CG1-CG 4.35Å; V230-K234 VanDerWaalsContact O-CB 3.28Å; V230-K234 WeakPolarHBondContact O-CB 3.39Å; V230-K234 WeakPolarHBondContact O-CG 3.27Å; V230-K234 PolarHBondContact O-N 3.1Å; T231-K234 PolarHBondContact O-N 3.43Å; K234-R238 WeakPolarHBondContact O-CB 3.02Å; K234-R238 VanDerWaalsContact O-CG 3.26Å; K234-R238 WeakPolarHBondContact O-CG 3.35Å; K234-R238 PolarHBondContact O-N 3.23Å
235K72.6Confident65.8Low147 Ų14794.2 Ų94.264%0.63946%0.462SS*.Hα-helixtrans-68.2-42.1176.2-173.1176.6-178.7178.70111.4T231 F232 Q233 R238 F239T231-K235 VanDerWaalsContact O-CB 3.26Å; T231-K235 WeakPolarHBondContact O-CB 3.38Å; T231-K235 PolarHBondContact O-N 3.04Å; F232-K235 PolarHBondContact O-N 3.27Å; Q233-K235 VanDerWaalsContact C-N 3.28Å; Q233-K235 PolarHBondContact O-N 2.89Å; K235-R238 PolarHBondContact O-N 3.35Å; K235-F239 WeakPolarHBondContact O-CB 3.47Å; K235-F239 PolarHBondContact O-N 3.41Å
236A69.5Low67.4Low26 Ų2695.7 Ų95.722%0.21546%0.462CS..Hα-helixtrans-64.1-43.5175.200000111.1F232 Q233 F239 L240 L265F232-A236 WeakPolarHBondContact O-CB 3.42Å; F232-A236 PolarHBondContact O-N 3.21Å; Q233-A236 WeakPolarHBondContact O-CB 3.41Å; Q233-A236 PolarHBondContact O-N 3.43Å; Q233-A236 VanDerWaalsContact O-N 3.12Å; A236-F239 PolarHBondContact O-N 3.46Å; A236-L240 WeakPolarHBondContact O-CB 3.19Å; A236-L240 PolarHBondContact O-N 2.96Å; A236-L265 HydrophobicContact CB-CD2 3.67Å
237E70.2Confident69.1Low80 Ų8094.3 Ų94.337%0.37446%0.456SS..Hα-helixtrans-59.2-45.6173.1-71.6172.9178.300111.8Q233 L240 H241 L265Q233-E237 VanDerWaalsContact O-CG 3.32Å; Q233-E237 WeakPolarHBondContact O-CG 3.02Å; Q233-E237 PolarHBondContact O-N 3.48Å; E237-L240 PolarHBondContact O-N 3.39Å; E237-H241 WeakPolarHBondContact O-CB 3.43Å; E237-H241 PolarHBondContact O-N 2.9Å; E237-L265 HydrophobicContact CG-CD1 3.64Å; E237-L265 HydrophobicContact CG-CG 4.37Å
238R72.5Confident70.8Confident187 Ų18791.1 Ų91.171%0.70645%0.446SS*.Hα-helixtrans-64.1-43.2176.8-76.6176.8-171.8168.93.3112.5K234 K235 H241 H242K234-R238 WeakPolarHBondContact O-CB 3.02Å; K234-R238 VanDerWaalsContact O-CG 3.26Å; K234-R238 WeakPolarHBondContact O-CG 3.35Å; K234-R238 PolarHBondContact O-N 3.23Å; K235-R238 PolarHBondContact O-N 3.35Å; R238-H241 PolarHBondContact O-N 2.75Å; R238-H242 WeakPolarHBondContact O-CB 3.34Å; R238-H242 PolarHBondContact O-N 2.78Å
239F78.1Confident72.8Confident126 Ų12688.2 Ų88.255%0.55343%0.431SS*.Hα-helixtrans-63.4-45.6176.4175.6-105.7000111K235 A236 H242 L243K235-F239 WeakPolarHBondContact O-CB 3.47Å; K235-F239 PolarHBondContact O-N 3.41Å; A236-F239 PolarHBondContact O-N 3.46Å; F239-H242 WeakPolarHBondContact O-CB 3.44Å; F239-H242 PolarHBondContact O-N 3.16Å; F239-L243 HydrophobicContact CD1-CD1 3.92Å; F239-L243 HydrophobicContact CD1-CG 4.44Å; F239-L243 HydrophobicContact CE1-CD1 3.32Å; F239-L243 HydrophobicContact CE1-CG 4.05Å; F239-L243 HydrophobicContact CE2-CD1 4.45Å; F239-L243 HydrophobicContact CE2-CG 4.38Å; F239-L243 HydrophobicContact CZ-CD1 3.63Å; F239-L243 HydrophobicContact CZ-CD2 4.23Å; F239-L243 HydrophobicContact CZ-CG 4.01Å; F239-L243 WeakPolarHBondContact O-CG 3.33Å; F239-L243 PolarHBondContact O-N 2.91Å
240L74.3Confident74.6Confident3 Ų388 Ų882%0.01643%0.43CS..Hα-helixtrans-63.8-42.3178-176.157.4000111.8A236 E237 H242 L243 I244 C255 L265 A266 T269A236-L240 WeakPolarHBondContact O-CB 3.19Å; A236-L240 PolarHBondContact O-N 2.96Å; E237-L240 PolarHBondContact O-N 3.39Å; L240-H242 VanDerWaalsContact C-N 3.34Å; L240-H242 PolarHBondContact O-N 2.95Å; L240-L243 PolarHBondContact O-N 3.4Å; L240-I244 HydrophobicContact CD1-CD1 3.97Å; L240-I244 HydrophobicContact CD1-CG1 4.28Å; L240-I244 HydrophobicContact CG-CD1 3.77Å; L240-I244 HydrophobicContact CG-CG1 4.49Å; L240-I244 WeakPolarHBondContact O-CB 3.49Å; L240-I244 VanDerWaalsContact O-CG1 3.26Å; L240-I244 WeakPolarHBondContact O-CG1 3.3Å; L240-I244 PolarHBondContact O-N 3.45Å; L240-C255 HydrophobicContact CD1-CB 3.95Å; L240-C255 WeakPolarHBondContact CD1-SG 3.22Å; L240-L265 HydrophobicContact CD2-CB 3.94Å; L240-L265 HydrophobicContact CD2-CD2 3.92Å; L240-L265 HydrophobicContact CD2-CG 3.63Å; L240-A266 HydrophobicContact CD1-CB 4.31Å; L240-A266 VanDerWaalsContact CD2-CA 3.46Å; L240-A266 HydrophobicContact CD2-CB 3.94Å; L240-T269 HydrophobicContact CG-CG2 4.46Å
241H76.2Confident76Confident60 Ų6085.7 Ų85.728%0.27842%0.417SS..Hα-helixtrans-56.8-48.2171174.594.7000111.1E237 R238 L243 I244 M245 F273E237-H241 WeakPolarHBondContact O-CB 3.43Å; E237-H241 PolarHBondContact O-N 2.9Å; R238-H241 PolarHBondContact O-N 2.75Å; H241-L243 VanDerWaalsContact C-N 3.29Å; H241-L243 PolarHBondContact O-N 3.3Å; H241-I244 PolarHBondContact O-N 3.01Å; H241-M245 WeakPolarHBondContact NE2-CG 3.49Å; H241-M245 WeakPolarHBondContact O-CB 3.11Å; H241-M245 WeakPolarHBondContact O-CG 3.34Å; H241-M245 PolarHBondContact O-N 3.35Å; H241-F273 HydrophobicContact CB-CE2 4.18Å; H241-F273 AromaticContact CE1-CD1 3.98Å; H241-F273 AromaticContact CE1-CE1 3.58Å; H241-F273 AromaticContact CE1-CZ 3.62Å; H241-F273 AromaticContact CG-CE2 3.97Å; H241-F273 AromaticContact ND1-CD1 3.93Å; H241-F273 AromaticContact ND1-CD2 3.55Å; H241-F273 AromaticContact ND1-CE1 3.48Å; H241-F273 WeakPolarHBondContact ND1-CE1 3.44Å; H241-F273 AromaticContact ND1-CE2 3.09Å; H241-F273 WeakPolarHBondContact ND1-CE2 3.49Å; H241-F273 AromaticContact ND1-CG 3.98Å; H241-F273 AromaticContact ND1-CZ 3.05Å; H241-F273 WeakPolarHBondContact ND1-CZ 3.39Å
242H78Confident76.8Confident111 Ų11182.2 Ų82.251%0.51440%0.395SS..Hα-helixtrans-60.8-39.8178-168.976.9000111.8R238 F239 L240 K246R238-H242 WeakPolarHBondContact O-CB 3.34Å; R238-H242 PolarHBondContact O-N 2.78Å; F239-H242 WeakPolarHBondContact O-CB 3.44Å; F239-H242 PolarHBondContact O-N 3.16Å; L240-H242 VanDerWaalsContact C-N 3.34Å; L240-H242 PolarHBondContact O-N 2.95Å; H242-K246 WeakPolarHBondContact O-CB 3.39Å; H242-K246 PolarHBondContact O-N 2.89Å
243L78.5Confident77.7Confident60 Ų6076.6 Ų76.631%0.31437%0.371SS..Hα-helixtrans-64.8-46.9174.2-72.1-179.4000112.5F239 L240 H241 K246 A247F239-L243 HydrophobicContact CD1-CD1 3.92Å; F239-L243 HydrophobicContact CD1-CG 4.44Å; F239-L243 HydrophobicContact CE1-CD1 3.32Å; F239-L243 HydrophobicContact CE1-CG 4.05Å; F239-L243 HydrophobicContact CE2-CD1 4.45Å; F239-L243 HydrophobicContact CE2-CG 4.38Å; F239-L243 HydrophobicContact CZ-CD1 3.63Å; F239-L243 HydrophobicContact CZ-CD2 4.23Å; F239-L243 HydrophobicContact CZ-CG 4.01Å; F239-L243 WeakPolarHBondContact O-CG 3.33Å; F239-L243 PolarHBondContact O-N 2.91Å; L240-L243 PolarHBondContact O-N 3.4Å; H241-L243 VanDerWaalsContact C-N 3.29Å; H241-L243 PolarHBondContact O-N 3.3Å; L243-K246 PolarHBondContact O-N 3.3Å; L243-A247 VanDerWaalsContact O-CB 3.27Å; L243-A247 WeakPolarHBondContact O-CB 3.33Å; L243-A247 PolarHBondContact O-N 3Å
244I78.2Confident78.8Confident14 Ų1475.8 Ų75.87%0.07237%0.37CS..Hα-helixtrans-66.4-43.1-178.6-67.9164.4000110.7L240 H241 G248 I252 T269L240-I244 HydrophobicContact CD1-CD1 3.97Å; L240-I244 HydrophobicContact CD1-CG1 4.28Å; L240-I244 HydrophobicContact CG-CD1 3.77Å; L240-I244 HydrophobicContact CG-CG1 4.49Å; L240-I244 WeakPolarHBondContact O-CB 3.49Å; L240-I244 VanDerWaalsContact O-CG1 3.26Å; L240-I244 WeakPolarHBondContact O-CG1 3.3Å; L240-I244 PolarHBondContact O-N 3.45Å; H241-I244 PolarHBondContact O-N 3.01Å; I244-G248 WeakPolarHBondContact O-CA 3.45Å; I244-G248 PolarHBondContact O-N 2.92Å; I244-I252 HydrophobicContact CG1-CG1 4.22Å; I244-I252 HydrophobicContact CG2-CD1 4.42Å; I244-I252 HydrophobicContact CG2-CG1 4.07Å; I244-T269 HydrophobicContact CD1-CG2 3.94Å
245M77.7Confident79.6Confident136 Ų13671.8 Ų71.867%0.6735%0.353SS*.Hα-helixtrans-68.5-37.3178.7-71.7-59.7-68.100112.3H241H241-M245 WeakPolarHBondContact NE2-CG 3.49Å; H241-M245 WeakPolarHBondContact O-CB 3.11Å; H241-M245 WeakPolarHBondContact O-CG 3.34Å; H241-M245 PolarHBondContact O-N 3.35Å
246K80.4Confident80Confident170 Ų17064.8 Ų64.874%0.73932%0.323SS*.Hα-helixtrans-79.5-37.8-178.2-169.4176.7-178.6178.80113H242 L243H242-K246 WeakPolarHBondContact O-CB 3.39Å; H242-K246 PolarHBondContact O-N 2.89Å; L243-K246 PolarHBondContact O-N 3.3Å
247A81.7Confident80.6Confident43 Ų4364.9 Ų64.936%0.35532%0.322SS..Hα-helixtrans-106.8-7-174.100000113.9L243 F249 V250 G251L243-A247 VanDerWaalsContact O-CB 3.27Å; L243-A247 WeakPolarHBondContact O-CB 3.33Å; L243-A247 PolarHBondContact O-N 3Å; A247-F249 PolarHBondContact O-N 2.85Å; A247-V250 HydrophobicContact CB-CB 4.45Å; A247-V250 PolarHBondContact O-N 3.17Å; A247-V250 VanDerWaalsContact O-N 3.1Å; A247-G251 PolarHBondContact O-N 3.44Å
248G83.4Confident81.1Confident33 Ų3364.5 Ų64.534%0.3432%0.322SS..THydrogen-bonded Turntrans54.1-124.7178.900000112.2I244 V250 G251 I252I244-G248 WeakPolarHBondContact O-CA 3.45Å; I244-G248 PolarHBondContact O-N 2.92Å; G248-V250 VanDerWaalsContact C-N 3.3Å; G248-V250 PolarHBondContact O-N 3.26Å; G248-G251 PolarHBondContact O-N 3.46Å; G248-G251 VanDerWaalsContact O-N 3.13Å; G248-I252 WeakPolarHBondContact O-CG1 3.33Å; G248-I252 PolarHBondContact O-N 3.08Å; G248-I252 VanDerWaalsContact O-N 3.16Å
249F86.9Confident80.9Confident90 Ų9060.1 Ų60.140%0.39532%0.317SS..Hα-helixtrans-55.7-40.6178.1-174.9-94000113.2A247 G251 I252 L253 A283 I286A247-F249 PolarHBondContact O-N 2.85Å; F249-G251 VanDerWaalsContact C-N 3.33Å; F249-G251 PolarHBondContact O-N 3.39Å; F249-I252 PolarHBondContact O-N 2.94Å; F249-L253 WeakPolarHBondContact O-CB 3.48Å; F249-L253 PolarHBondContact O-N 2.91Å; F249-A283 HydrophobicContact CD2-CB 3.97Å; F249-A283 HydrophobicContact CE2-CB 3.68Å; F249-A283 HydrophobicContact CZ-CB 3.97Å; F249-I286 HydrophobicContact CE1-CD1 4.32Å; F249-I286 HydrophobicContact CZ-CD1 3.95Å
250V88.1Confident80.6Confident83 Ų8354.7 Ų54.750%0.50329%0.294SS..Hα-helixtrans-67.6-37.4179.8179.10000110.8A247 G248 L253 L254A247-V250 HydrophobicContact CB-CB 4.45Å; A247-V250 PolarHBondContact O-N 3.17Å; A247-V250 VanDerWaalsContact O-N 3.1Å; G248-V250 VanDerWaalsContact C-N 3.3Å; G248-V250 PolarHBondContact O-N 3.26Å; V250-L253 PolarHBondContact O-N 3.2Å; V250-L254 HydrophobicContact CG1-CD1 4.22Å; V250-L254 HydrophobicContact CG1-CG 4.41Å; V250-L254 WeakPolarHBondContact O-CG 3.41Å; V250-L254 PolarHBondContact O-N 3.09Å
251G85.5Confident80.4Confident2 Ų259.3 Ų59.32%0.02133%0.325CS..Hα-helixtrans-60.6-46.3175.200000111.7A247 G248 F249 L254 C255A247-G251 PolarHBondContact O-N 3.44Å; G248-G251 PolarHBondContact O-N 3.46Å; G248-G251 VanDerWaalsContact O-N 3.13Å; F249-G251 VanDerWaalsContact C-N 3.33Å; F249-G251 PolarHBondContact O-N 3.39Å; G251-L254 PolarHBondContact O-N 2.8Å; G251-C255 PolarHBondContact O-N 3.38Å; G251-C255 VanDerWaalsContact O-N 3.11Å; G251-C255 PolarHBondContact O-SG 2.88Å
252I84.4Confident80.1Confident3 Ų359.3 Ų59.32%0.01533%0.326CS..Hα-helixtrans-63.2-43.7176.7-57.1168.5000110.5I244 G248 F249 L254 C255 A256 V275 F280 A283I244-I252 HydrophobicContact CG1-CG1 4.22Å; I244-I252 HydrophobicContact CG2-CD1 4.42Å; I244-I252 HydrophobicContact CG2-CG1 4.07Å; G248-I252 WeakPolarHBondContact O-CG1 3.33Å; G248-I252 PolarHBondContact O-N 3.08Å; G248-I252 VanDerWaalsContact O-N 3.16Å; F249-I252 PolarHBondContact O-N 2.94Å; I252-L254 PolarHBondContact O-N 2.96Å; I252-C255 PolarHBondContact O-N 3.33Å; I252-A256 WeakPolarHBondContact O-CB 3.35Å; I252-A256 PolarHBondContact O-N 3.38Å; I252-V275 HydrophobicContact CD1-CG1 3.93Å; I252-F280 HydrophobicContact CG2-CD2 4.13Å; I252-A283 HydrophobicContact CB-CB 3.77Å; I252-A283 HydrophobicContact CG2-CB 3.49Å; I252-A283 VanDerWaalsContact CG2-CB 3.49Å
253L87.9Confident80Confident31 Ų3154 Ų5416%0.16230%0.302CS..Hα-helixtrans-60.2-47179.2177.163.6000112.1F249 V250 C255 A256 S257 A283 I286 G287 I291F249-L253 WeakPolarHBondContact O-CB 3.48Å; F249-L253 PolarHBondContact O-N 2.91Å; V250-L253 PolarHBondContact O-N 3.2Å; L253-C255 VanDerWaalsContact C-N 3.32Å; L253-C255 PolarHBondContact O-N 2.94Å; L253-A256 PolarHBondContact O-N 3.38Å; L253-S257 PolarHBondContact O-N 2.86Å; L253-A283 HydrophobicContact CB-CB 4.31Å; L253-A283 WeakPolarHBondContact CD1-O 3.44Å; L253-I286 HydrophobicContact CD1-CB 3.81Å; L253-I286 HydrophobicContact CD1-CG2 3.69Å; L253-I286 HydrophobicContact CD2-CG2 4.48Å; L253-G287 VanDerWaalsContact CD1-N 3.33Å; L253-I291 HydrophobicContact CD1-CD1 3.94Å; L253-I291 HydrophobicContact CD2-CD1 4.34Å; L253-I291 HydrophobicContact CG-CD1 4.27Å
254L86.2Confident79.9Confident100 Ų10053.1 Ų53.152%0.52430%0.297SS..Hα-helixtrans-59.7-46177.3-74.1173.3000110.5V250 G251 I252 A256 S257 I258V250-L254 HydrophobicContact CG1-CD1 4.22Å; V250-L254 HydrophobicContact CG1-CG 4.41Å; V250-L254 WeakPolarHBondContact O-CG 3.41Å; V250-L254 PolarHBondContact O-N 3.09Å; G251-L254 PolarHBondContact O-N 2.8Å; I252-L254 PolarHBondContact O-N 2.96Å; L254-A256 VanDerWaalsContact C-N 3.27Å; L254-A256 PolarHBondContact O-N 2.86Å; L254-S257 PolarHBondContact O-N 3.45Å; L254-S257 PolarHBondContact O-OG 2.97Å; L254-I258 WeakPolarHBondContact O-CD1 3.4Å; L254-I258 VanDerWaalsContact O-CG1 3.3Å; L254-I258 WeakPolarHBondContact O-CG1 3.37Å; L254-I258 PolarHBondContact O-N 3.18Å
255C81.2Confident79.7Confident2 Ų254.2 Ų54.21%0.01430%0.303CS..Hα-helixtrans-65.5-31.7178.7-59.80000112.6L240 G251 I252 L253 L262 A266L240-C255 HydrophobicContact CD1-CB 3.95Å; L240-C255 WeakPolarHBondContact CD1-SG 3.22Å; G251-C255 PolarHBondContact O-N 3.38Å; G251-C255 VanDerWaalsContact O-N 3.11Å; G251-C255 PolarHBondContact O-SG 2.88Å; I252-C255 PolarHBondContact O-N 3.33Å; L253-C255 VanDerWaalsContact C-N 3.32Å; L253-C255 PolarHBondContact O-N 2.94Å; C255-L262 HydrophobicContact CB-CD2 3.94Å; C255-A266 HydrophobicContact CB-CB 4.03Å
256A81.1Confident79.9Confident0 Ų047.7 Ų47.70%027%0.271CS..Hα-helixtrans-74.6-26.4175.400000115I252 L253 L254 F263I252-A256 WeakPolarHBondContact O-CB 3.35Å; I252-A256 PolarHBondContact O-N 3.38Å; L253-A256 PolarHBondContact O-N 3.38Å; L254-A256 VanDerWaalsContact C-N 3.27Å; L254-A256 PolarHBondContact O-N 2.86Å; A256-F263 HydrophobicContact CB-CD2 3.51Å; A256-F263 HydrophobicContact CB-CE2 3.46Å; A256-F263 VanDerWaalsContact CB-CE2 3.46Å; A256-F263 HydrophobicContact CB-CZ 4.49Å
257S82.8Confident80Confident28 Ų2839.7 Ų39.720%0.19624%0.236CC..Hα-helixtrans-79.7-19.4178.268.50000113.9L253 L254L253-S257 PolarHBondContact O-N 2.86Å; L254-S257 PolarHBondContact O-N 3.45Å; L254-S257 PolarHBondContact O-OG 2.97Å
258I79.7Confident79.9Confident73 Ų7340.6 Ų40.637%0.37424%0.237SC..SBendtrans-84.6160.5-177.4-67167.3000110.5L254 L262L254-I258 WeakPolarHBondContact O-CD1 3.4Å; L254-I258 VanDerWaalsContact O-CG1 3.3Å; L254-I258 WeakPolarHBondContact O-CG1 3.37Å; L254-I258 PolarHBondContact O-N 3.18Å; I258-L262 HydrophobicContact CB-CD2 3.9Å; I258-L262 HydrophobicContact CD1-CD2 3.81Å; I258-L262 HydrophobicContact CG1-CD2 4.45Å; I258-L262 HydrophobicContact CG2-CB 4.09Å; I258-L262 HydrophobicContact CG2-CD2 3.78Å; I258-L262 HydrophobicContact CG2-CG 4.46Å
259P69.7Low79.6Confident94 Ų9439.3 Ų39.361%0.6122%0.223SC*.  trans-34.8143.7172-6.1-15.2000116.4P261 L262P259-P261 VanDerWaalsContact C-CD 3.41Å; P259-P261 VanDerWaalsContact O-N 3.14Å; P259-L262 PolarHBondContact O-N 3.5Å
260N70.8Confident79.5Confident13 Ų1335.1 Ų35.17%0.0721%0.205CC..Hα-helixtrans-46.6-45.4-168.9-72.8-13.1000115.6G115 L262 F263 D264 K288 K292G115-N260 PolarHBondContact O-ND2 2.92Å; N260-L262 VanDerWaalsContact C-N 3.27Å; N260-L262 PolarHBondContact O-N 2.86Å; N260-F263 WeakPolarHBondContact O-CA 3.3Å; N260-F263 WeakPolarHBondContact O-CB 3.45Å; N260-F263 PolarHBondContact O-N 3.28Å; N260-D264 PolarHBondContact O-N 3.24Å; N260-D264 VanDerWaalsContact O-OD1 3.13Å; N260-K288 PolarHBondContact OD1-NZ 3.5Å; N260-K292 PolarHBondContact OD1-NZ 3.28Å
261P69.7Low79.2Confident100 Ų10031.1 Ų31.165%0.64918%0.181SC*.Hα-helixtrans-59.1-34.4-175.3-26.135.5000114.5P259 F263 L265P259-P261 VanDerWaalsContact C-CD 3.41Å; P259-P261 VanDerWaalsContact O-N 3.14Å; P261-F263 VanDerWaalsContact C-N 3.27Å; P261-F263 PolarHBondContact O-N 2.92Å; P261-L265 PolarHBondContact O-N 2.89Å
262L71Confident78.8Confident59 Ų5934.7 Ų34.731%0.30920%0.196SC..Hα-helixtrans-68.8-32.3177.1-165.796.3000111.1C255 I258 P259 N260 A266C255-L262 HydrophobicContact CB-CD2 3.94Å; I258-L262 HydrophobicContact CB-CD2 3.9Å; I258-L262 HydrophobicContact CD1-CD2 3.81Å; I258-L262 HydrophobicContact CG1-CD2 4.45Å; I258-L262 HydrophobicContact CG2-CB 4.09Å; I258-L262 HydrophobicContact CG2-CD2 3.78Å; I258-L262 HydrophobicContact CG2-CG 4.46Å; P259-L262 PolarHBondContact O-N 3.5Å; N260-L262 VanDerWaalsContact C-N 3.27Å; N260-L262 PolarHBondContact O-N 2.86Å; L262-A266 PolarHBondContact O-N 3.21Å; L262-A266 VanDerWaalsContact O-N 3.08Å
263F76Confident78.6Confident0 Ų039.1 Ų39.10%022%0.216CC..Hα-helixtrans-77.1-40.5-179.5-176.4-104.7000112.6E189 A256 N260 P261 L265 A266 G267 F280 T284E189-F263 HydrophobicContact CB-CD1 4.28Å; E189-F263 HydrophobicContact CB-CE1 3.47Å; E189-F263 VanDerWaalsContact CB-CE1 3.47Å; E189-F263 HydrophobicContact CB-CZ 4.35Å; E189-F263 HydrophobicContact CG-CD1 3.92Å; E189-F263 HydrophobicContact CG-CE1 3.49Å; E189-F263 VanDerWaalsContact CG-CE1 3.49Å; A256-F263 HydrophobicContact CB-CD2 3.51Å; A256-F263 HydrophobicContact CB-CE2 3.46Å; A256-F263 VanDerWaalsContact CB-CE2 3.46Å; A256-F263 HydrophobicContact CB-CZ 4.49Å; N260-F263 WeakPolarHBondContact O-CA 3.3Å; N260-F263 WeakPolarHBondContact O-CB 3.45Å; N260-F263 PolarHBondContact O-N 3.28Å; P261-F263 VanDerWaalsContact C-N 3.27Å; P261-F263 PolarHBondContact O-N 2.92Å; F263-L265 PolarHBondContact O-N 3.35Å; F263-A266 HydrophobicContact CD2-CB 4.3Å; F263-A266 CarbonylContact O-C 3.45Å; F263-A266 WeakPolarHBondContact O-CA 3.43Å; F263-A266 WeakPolarHBondContact O-CB 3.46Å; F263-A266 PolarHBondContact O-N 2.83Å; F263-G267 PolarHBondContact O-N 3Å; F263-F280 HydrophobicContact CE2-CE2 4.1Å; F263-F280 HydrophobicContact CE2-CZ 4.47Å; F263-F280 AromaticContact CZ-CE2 3.91Å; F263-F280 HydrophobicContact CZ-CE2 3.91Å; F263-F280 AromaticContact CZ-CZ 3.83Å; F263-F280 HydrophobicContact CZ-CZ 3.83Å; F263-T284 HydrophobicContact CE1-CG2 3.73Å; F263-T284 HydrophobicContact CE2-CG2 3.87Å; F263-T284 WeakPolarHBondContact CE2-OG1 3.37Å; F263-T284 HydrophobicContact CZ-CG2 3.13Å; F263-T284 WeakPolarHBondContact CZ-OG1 3.44Å
264D75.3Confident78.3Confident42 Ų4241 Ų4123%0.22523%0.226CC..Hα-helixtrans-56.1-42174-59.83.9000109.8N260 A266 G267 V268N260-D264 PolarHBondContact O-N 3.24Å; N260-D264 VanDerWaalsContact O-OD1 3.13Å; D264-A266 PolarHBondContact O-N 2.89Å; D264-G267 PolarHBondContact O-N 3.19Å; D264-V268 PolarHBondContact O-N 3.24Å; D264-V268 VanDerWaalsContact O-N 3.1Å
265L74.9Confident78.2Confident36 Ų3637.4 Ų37.419%0.18821%0.208CC..Hα-helixtrans-62.7-40.1173.5-168.564000112.3A236 E237 L240 P261 F263 V268 T269A236-L265 HydrophobicContact CB-CD2 3.67Å; E237-L265 HydrophobicContact CG-CD1 3.64Å; E237-L265 HydrophobicContact CG-CG 4.37Å; L240-L265 HydrophobicContact CD2-CB 3.94Å; L240-L265 HydrophobicContact CD2-CD2 3.92Å; L240-L265 HydrophobicContact CD2-CG 3.63Å; P261-L265 PolarHBondContact O-N 2.89Å; F263-L265 PolarHBondContact O-N 3.35Å; L265-V268 PolarHBondContact O-N 2.8Å; L265-T269 VanDerWaalsContact O-CB 3.22Å; L265-T269 WeakPolarHBondContact O-CB 3.24Å; L265-T269 PolarHBondContact O-N 3.41Å; L265-T269 PolarHBondContact O-OG1 2.76Å
266A80.3Confident78.6Confident0 Ų041.1 Ų41.10%023%0.232CC..Hα-helixtrans-65.3-39.3175.900000111.6L240 C255 L262 F263 D264 T269 C270L240-A266 HydrophobicContact CD1-CB 4.31Å; L240-A266 VanDerWaalsContact CD2-CA 3.46Å; L240-A266 HydrophobicContact CD2-CB 3.94Å; C255-A266 HydrophobicContact CB-CB 4.03Å; L262-A266 PolarHBondContact O-N 3.21Å; L262-A266 VanDerWaalsContact O-N 3.08Å; F263-A266 HydrophobicContact CD2-CB 4.3Å; F263-A266 CarbonylContact O-C 3.45Å; F263-A266 WeakPolarHBondContact O-CA 3.43Å; F263-A266 WeakPolarHBondContact O-CB 3.46Å; F263-A266 PolarHBondContact O-N 2.83Å; D264-A266 PolarHBondContact O-N 2.89Å; A266-T269 PolarHBondContact O-N 3.25Å; A266-C270 WeakPolarHBondContact O-CB 3.17Å; A266-C270 PolarHBondContact O-N 2.79Å; A266-C270 PolarHBondContact O-SG 3.28Å
267G83.2Confident79.1Confident1 Ų143.4 Ų43.41%0.0124%0.242CC..Hα-helixtrans-58.8-51.5174.500000112.1Y193 F263 D264 G271Y193-G267 WeakPolarHBondContact CA-O 3.43Å; F263-G267 PolarHBondContact O-N 3Å; D264-G267 PolarHBondContact O-N 3.19Å; G267-G271 PolarHBondContact O-N 3.02Å
268V79.8Confident79.5Confident62 Ų6251.5 Ų51.538%0.37627%0.268SS..Hα-helixtrans-61.2-46.5176.8174.70000111P192 A196 D264 L265 G271 H272P192-V268 HydrophobicContact CB-CG2 4.09Å; A196-V268 HydrophobicContact CB-CB 4.35Å; A196-V268 HydrophobicContact CB-CG1 4Å; A196-V268 WeakPolarHBondContact CB-O 3.41Å; D264-V268 PolarHBondContact O-N 3.24Å; D264-V268 VanDerWaalsContact O-N 3.1Å; L265-V268 PolarHBondContact O-N 2.8Å; V268-G271 PolarHBondContact O-N 2.91Å; V268-H272 VanDerWaalsContact O-CB 3.32Å; V268-H272 WeakPolarHBondContact O-CB 3.41Å; V268-H272 PolarHBondContact O-N 3Å
269T78.2Confident80Confident7 Ų750.3 Ų50.34%0.04327%0.266CS..Hα-helixtrans-62.4-50.1-179.4-59.90000111.4L240 I244 L265 A266 G271 H272 F273L240-T269 HydrophobicContact CG-CG2 4.46Å; I244-T269 HydrophobicContact CD1-CG2 3.94Å; L265-T269 VanDerWaalsContact O-CB 3.22Å; L265-T269 WeakPolarHBondContact O-CB 3.24Å; L265-T269 PolarHBondContact O-N 3.41Å; L265-T269 PolarHBondContact O-OG1 2.76Å; A266-T269 PolarHBondContact O-N 3.25Å; T269-G271 VanDerWaalsContact C-N 3.3Å; T269-G271 PolarHBondContact O-N 3.48Å; T269-H272 PolarHBondContact O-N 3.02Å; T269-F273 HydrophobicContact CG2-CD2 3.63Å; T269-F273 HydrophobicContact CG2-CE2 3.71Å; T269-F273 WeakPolarHBondContact O-CD2 3.45Å; T269-F273 PolarHBondContact O-N 3.23Å
270C83.7Confident80.9Confident1 Ų145.8 Ų45.81%0.00724%0.237CC..Hα-helixtrans-61.7-38.2177.2-74.60000112.4Y193 A266 L274 V275 F280Y193-C270 HydrophobicContact CD2-CB 4.09Å; Y193-C270 HydrophobicContact CE2-CB 4.26Å; A266-C270 WeakPolarHBondContact O-CB 3.17Å; A266-C270 PolarHBondContact O-N 2.79Å; A266-C270 PolarHBondContact O-SG 3.28Å; C270-L274 PolarHBondContact O-N 3.4Å; C270-V275 HydrophobicContact CB-CB 4.08Å; C270-V275 HydrophobicContact CB-CG2 4.11Å; C270-V275 PolarHBondContact O-N 3.44Å; C270-F280 HydrophobicContact CB-CD2 3.84Å; C270-F280 HydrophobicContact CB-CE2 4.33Å; C270-F280 HydrophobicContact CB-CG 4.43Å
271G81.9Confident81.9Confident0 Ų046.8 Ų46.80%024%0.241CC..Hα-helixtrans-64.4-49.6174.900000111.5Y193 R197 G267 V268 T269 F273 L274Y193-G271 WeakPolarHBondContact O-CA 3.36Å; R197-G271 WeakPolarHBondContact CA-O 3.45Å; G267-G271 PolarHBondContact O-N 3.02Å; V268-G271 PolarHBondContact O-N 2.91Å; T269-G271 VanDerWaalsContact C-N 3.3Å; T269-G271 PolarHBondContact O-N 3.48Å; G271-F273 VanDerWaalsContact C-N 3.33Å; G271-F273 PolarHBondContact O-N 3.17Å; G271-L274 PolarHBondContact O-N 3.19Å; G271-L274 VanDerWaalsContact O-N 3.07Å
272H77.7Confident83Confident76 Ų7643 Ų4335%0.35222%0.22SC..Hα-helixtrans-58.8-41.1177.7-179.6-94.8000112.6R200 V268 T269 L274R200-H272 VanDerWaalsContact CG-O 3.27Å; R200-H272 WeakPolarHBondContact CG-O 3.37Å; V268-H272 VanDerWaalsContact O-CB 3.32Å; V268-H272 WeakPolarHBondContact O-CB 3.41Å; V268-H272 PolarHBondContact O-N 3Å; T269-H272 PolarHBondContact O-N 3.02Å; H272-L274 PolarHBondContact O-N 3.47Å
273F79.3Confident84Confident96 Ų9640.2 Ų40.242%0.42121%0.205SC..THydrogen-bonded Turntrans-85.210.7177.8-68.7-66.5000114.2H241 T269 G271 V275H241-F273 HydrophobicContact CB-CE2 4.18Å; H241-F273 AromaticContact CE1-CD1 3.98Å; H241-F273 AromaticContact CE1-CE1 3.58Å; H241-F273 AromaticContact CE1-CZ 3.62Å; H241-F273 AromaticContact CG-CE2 3.97Å; H241-F273 AromaticContact ND1-CD1 3.93Å; H241-F273 AromaticContact ND1-CD2 3.55Å; H241-F273 AromaticContact ND1-CE1 3.48Å; H241-F273 WeakPolarHBondContact ND1-CE1 3.44Å; H241-F273 AromaticContact ND1-CE2 3.09Å; H241-F273 WeakPolarHBondContact ND1-CE2 3.49Å; H241-F273 AromaticContact ND1-CG 3.98Å; H241-F273 AromaticContact ND1-CZ 3.05Å; H241-F273 WeakPolarHBondContact ND1-CZ 3.39Å; T269-F273 HydrophobicContact CG2-CD2 3.63Å; T269-F273 HydrophobicContact CG2-CE2 3.71Å; T269-F273 WeakPolarHBondContact O-CD2 3.45Å; T269-F273 PolarHBondContact O-N 3.23Å; G271-F273 VanDerWaalsContact C-N 3.33Å; G271-F273 PolarHBondContact O-N 3.17Å; F273-V275 HydrophobicContact CB-CG2 4.45Å; F273-V275 PolarHBondContact O-N 2.95Å; F273-V275 VanDerWaalsContact O-N 3.14Å
274L82.7Confident84.6Confident72 Ų7240.2 Ų40.238%0.37721%0.206SC..THydrogen-bonded Turntrans54.832.4176.7-53179.4000113.7R197 R200 L201 C270 G271 H272R197-L274 HydrophobicContact CG-CD2 3.77Å; R200-L274 HydrophobicContact CB-CD2 4.23Å; R200-L274 HydrophobicContact CG-CD2 4.16Å; R200-L274 HydrophobicContact CG-CG 4.26Å; L201-L274 HydrophobicContact CD2-CD1 4.27Å; L201-L274 HydrophobicContact CD2-CD2 4.08Å; L201-L274 HydrophobicContact CG-CD2 3.96Å; C270-L274 PolarHBondContact O-N 3.4Å; G271-L274 PolarHBondContact O-N 3.19Å; G271-L274 VanDerWaalsContact O-N 3.07Å; H272-L274 PolarHBondContact O-N 3.47Å
275V84.2Confident85.5Confident23 Ų2341.2 Ų41.214%0.13921%0.208CC..  trans-57.3135.5176.1175.50000108.9Y193 I252 C270 F273 F277Y193-V275 PolarHBondContact OH-O 3.5Å; I252-V275 HydrophobicContact CD1-CG1 3.93Å; C270-V275 HydrophobicContact CB-CB 4.08Å; C270-V275 HydrophobicContact CB-CG2 4.11Å; C270-V275 PolarHBondContact O-N 3.44Å; F273-V275 HydrophobicContact CB-CG2 4.45Å; F273-V275 PolarHBondContact O-N 2.95Å; F273-V275 VanDerWaalsContact O-N 3.14Å; V275-F277 PolarHBondContact O-N 2.94Å
276P89.5Confident86.3Confident81 Ų8142.3 Ų42.353%0.52621%0.213SC..  trans-52.3133178.9-27.634.5000112.1W278 S279 F280P276-W278 VanDerWaalsContact C-N 3.27Å; P276-W278 PolarHBondContact O-N 2.95Å; P276-S279 PolarHBondContact O-N 2.97Å; P276-F280 PolarHBondContact O-N 2.81Å; P276-F280 VanDerWaalsContact O-N 3.13Å
277F89.9Confident86.8Confident47 Ų4742.3 Ų42.321%0.20621%0.213CC..Hα-helixtrans-53.5-44.4-175.7168.1-97.7000112.1L190 Y193 F194 V275 S279 F280 F281L190-F277 HydrophobicContact CD1-CE2 4.2Å; L190-F277 HydrophobicContact CD1-CZ 4.39Å; L190-F277 HydrophobicContact CD2-CE2 3.62Å; L190-F277 HydrophobicContact CD2-CZ 4.35Å; Y193-F277 HydrophobicContact CD1-CD2 4.42Å; Y193-F277 HydrophobicContact CE1-CB 4.37Å; Y193-F277 AromaticContact CE1-CD2 3.93Å; Y193-F277 HydrophobicContact CE1-CD2 3.93Å; Y193-F277 WeakPolarHBondContact OH-CA 3.32Å; Y193-F277 PolarHBondContact OH-N 3.48Å; F194-F277 HydrophobicContact CE1-CD2 4.26Å; F194-F277 HydrophobicContact CE2-CD2 4.39Å; F194-F277 HydrophobicContact CE2-CE2 4.03Å; F194-F277 AromaticContact CZ-CD2 3.67Å; F194-F277 HydrophobicContact CZ-CD2 3.67Å; F194-F277 AromaticContact CZ-CE2 3.63Å; F194-F277 HydrophobicContact CZ-CE2 3.63Å; V275-F277 PolarHBondContact O-N 2.94Å; F277-S279 VanDerWaalsContact C-N 3.34Å; F277-S279 PolarHBondContact O-N 3.39Å; F277-F280 PolarHBondContact O-N 3.45Å; F277-F281 HydrophobicContact CE1-CB 4.08Å; F277-F281 HydrophobicContact CE1-CD1 4.47Å; F277-F281 HydrophobicContact CE1-CG 4.31Å; F277-F281 HydrophobicContact CE2-CB 4.13Å; F277-F281 HydrophobicContact CZ-CB 3.87Å; F277-F281 HydrophobicContact CZ-CD1 4.44Å; F277-F281 HydrophobicContact CZ-CD2 4.34Å; F277-F281 AromaticContact CZ-CG 3.96Å; F277-F281 HydrophobicContact CZ-CG 3.96Å; F277-F281 VanDerWaalsContact O-CB 3.3Å; F277-F281 WeakPolarHBondContact O-CB 3.43Å; F277-F281 PolarHBondContact O-N 3.48Å
278W91.7Very high87Confident198 Ų19842.3 Ų42.375%0.7521%0.213SC*.Hα-helixtrans-67.6-31.4-178.4-75.1109.8000113.6P276 F281 G282P276-W278 VanDerWaalsContact C-N 3.27Å; P276-W278 PolarHBondContact O-N 2.95Å; W278-F281 HydrophobicContact CE3-CD1 4.32Å; W278-F281 HydrophobicContact CZ3-CD1 4.16Å; W278-G282 WeakPolarHBondContact O-CA 2.92Å; W278-G282 PolarHBondContact O-N 2.99Å
279S89.8Confident87.6Confident48 Ų4839.4 Ų39.434%0.33620%0.195SC..Hα-helixtrans-69.5-41.5173.9-56.70000111.1P276 F277 A283P276-S279 PolarHBondContact O-N 2.97Å; F277-S279 VanDerWaalsContact C-N 3.34Å; F277-S279 PolarHBondContact O-N 3.39Å; S279-A283 VanDerWaalsContact O-CB 3.3Å; S279-A283 WeakPolarHBondContact O-CB 3.47Å; S279-A283 PolarHBondContact O-N 3.22Å
280F90Very high88.3Confident0 Ų041.8 Ų41.80%021%0.208CC..Hα-helixtrans-66.2-59.5175171.7-108.6000111.3L190 Y193 I252 F263 C270 P276 F277 G282 A283 T284L190-F280 HydrophobicContact CD2-CD1 4.46Å; L190-F280 HydrophobicContact CD2-CE1 4.04Å; Y193-F280 HydrophobicContact CD1-CD1 4.25Å; Y193-F280 HydrophobicContact CD1-CE1 4.39Å; Y193-F280 HydrophobicContact CD2-CB 4.46Å; Y193-F280 AromaticContact CD2-CD1 3.63Å; Y193-F280 HydrophobicContact CD2-CD1 3.63Å; Y193-F280 HydrophobicContact CD2-CD2 4.36Å; Y193-F280 AromaticContact CD2-CE1 3.89Å; Y193-F280 HydrophobicContact CD2-CE1 3.89Å; Y193-F280 AromaticContact CD2-CG 3.89Å; Y193-F280 HydrophobicContact CD2-CG 3.89Å; Y193-F280 HydrophobicContact CD2-CZ 4.36Å; Y193-F280 HydrophobicContact CE2-CB 4.2Å; Y193-F280 HydrophobicContact CE2-CD1 4.08Å; Y193-F280 HydrophobicContact CE2-CG 4.13Å; Y193-F280 AromaticContact CG-CD1 3.73Å; Y193-F280 HydrophobicContact CG-CD1 3.73Å; Y193-F280 AromaticContact CG-CE1 3.68Å; Y193-F280 HydrophobicContact CG-CE1 3.68Å; Y193-F280 HydrophobicContact CG-CG 4.45Å; Y193-F280 HydrophobicContact CG-CZ 4.36Å; I252-F280 HydrophobicContact CG2-CD2 4.13Å; F263-F280 HydrophobicContact CE2-CE2 4.1Å; F263-F280 HydrophobicContact CE2-CZ 4.47Å; F263-F280 AromaticContact CZ-CE2 3.91Å; F263-F280 HydrophobicContact CZ-CE2 3.91Å; F263-F280 AromaticContact CZ-CZ 3.83Å; F263-F280 HydrophobicContact CZ-CZ 3.83Å; C270-F280 HydrophobicContact CB-CD2 3.84Å; C270-F280 HydrophobicContact CB-CE2 4.33Å; C270-F280 HydrophobicContact CB-CG 4.43Å; P276-F280 PolarHBondContact O-N 2.81Å; P276-F280 VanDerWaalsContact O-N 3.13Å; F277-F280 PolarHBondContact O-N 3.45Å; F280-G282 VanDerWaalsContact C-N 3.34Å; F280-G282 PolarHBondContact O-N 3.12Å; F280-A283 PolarHBondContact O-N 3.07Å; F280-T284 WeakPolarHBondContact O-CB 3.3Å; F280-T284 PolarHBondContact O-N 3.43Å; F280-T284 PolarHBondContact O-OG1 3.26Å
281F91.7Very high88.6Confident34 Ų3445.6 Ų45.615%0.14923%0.227CC..Hα-helixtrans-59.8-41.4-177.1-179.9-109.1000112.5L183 L187 L190 F277 W278 T284 F285L183-F281 HydrophobicContact CD1-CZ 4.36Å; L187-F281 HydrophobicContact CD2-CE2 3.89Å; L187-F281 HydrophobicContact CD2-CZ 4.2Å; L190-F281 HydrophobicContact CD2-CD2 4.07Å; F277-F281 HydrophobicContact CE1-CB 4.08Å; F277-F281 HydrophobicContact CE1-CD1 4.47Å; F277-F281 HydrophobicContact CE1-CG 4.31Å; F277-F281 HydrophobicContact CE2-CB 4.13Å; F277-F281 HydrophobicContact CZ-CB 3.87Å; F277-F281 HydrophobicContact CZ-CD1 4.44Å; F277-F281 HydrophobicContact CZ-CD2 4.34Å; F277-F281 AromaticContact CZ-CG 3.96Å; F277-F281 HydrophobicContact CZ-CG 3.96Å; F277-F281 VanDerWaalsContact O-CB 3.3Å; F277-F281 WeakPolarHBondContact O-CB 3.43Å; F277-F281 PolarHBondContact O-N 3.48Å; W278-F281 HydrophobicContact CE3-CD1 4.32Å; W278-F281 HydrophobicContact CZ3-CD1 4.16Å; F281-T284 PolarHBondContact O-N 2.76Å; F281-F285 VanDerWaalsContact O-CB 3.26Å; F281-F285 WeakPolarHBondContact O-CB 3.17Å; F281-F285 PolarHBondContact O-N 3.13Å
282G92.8Very high88.9Confident20 Ų2046.7 Ų46.721%0.20623%0.232CC..Hα-helixtrans-62.2-45.3176.400000112.5W278 F280 F285 I286W278-G282 WeakPolarHBondContact O-CA 2.92Å; W278-G282 PolarHBondContact O-N 2.99Å; F280-G282 VanDerWaalsContact C-N 3.34Å; F280-G282 PolarHBondContact O-N 3.12Å; G282-F285 PolarHBondContact O-N 2.91Å; G282-I286 WeakPolarHBondContact O-CG1 3.14Å; G282-I286 PolarHBondContact O-N 3.35Å; G282-I286 VanDerWaalsContact O-N 3.08Å
283A91.2Very high89.5Confident0 Ų043 Ų430%022%0.215CC..Hα-helixtrans-65.5-41.2176.700000111.7F249 I252 L253 S279 F280 G287F249-A283 HydrophobicContact CD2-CB 3.97Å; F249-A283 HydrophobicContact CE2-CB 3.68Å; F249-A283 HydrophobicContact CZ-CB 3.97Å; I252-A283 HydrophobicContact CB-CB 3.77Å; I252-A283 HydrophobicContact CG2-CB 3.49Å; I252-A283 VanDerWaalsContact CG2-CB 3.49Å; L253-A283 HydrophobicContact CB-CB 4.31Å; L253-A283 WeakPolarHBondContact CD1-O 3.44Å; S279-A283 VanDerWaalsContact O-CB 3.3Å; S279-A283 WeakPolarHBondContact O-CB 3.47Å; S279-A283 PolarHBondContact O-N 3.22Å; F280-A283 PolarHBondContact O-N 3.07Å; A283-G287 PolarHBondContact O-N 3.35Å
284T89.5Confident90.1Very high1 Ų140.9 Ų40.91%0.00621%0.206CC..Hα-helixtrans-63.4-44.3175.5-57.30000112.3A186 F263 F280 F281 G287 K288A186-T284 HydrophobicContact CB-CG2 3.74Å; F263-T284 HydrophobicContact CE1-CG2 3.73Å; F263-T284 HydrophobicContact CE2-CG2 3.87Å; F263-T284 WeakPolarHBondContact CE2-OG1 3.37Å; F263-T284 HydrophobicContact CZ-CG2 3.13Å; F263-T284 WeakPolarHBondContact CZ-OG1 3.44Å; F280-T284 WeakPolarHBondContact O-CB 3.3Å; F280-T284 PolarHBondContact O-N 3.43Å; F280-T284 PolarHBondContact O-OG1 3.26Å; F281-T284 PolarHBondContact O-N 2.76Å; T284-G287 PolarHBondContact O-N 3.16Å; T284-K288 HydrophobicContact CG2-CG 4.38Å; T284-K288 WeakPolarHBondContact O-CB 3.42Å; T284-K288 PolarHBondContact O-N 2.92Å
285F92.6Very high90.4Very high63 Ų6342.5 Ų42.528%0.27621%0.214SC..Hα-helixtrans-60.3-49.7178174.3-100.9000110.7L183 F281 G282 G287 A289L183-F285 HydrophobicContact CB-CD2 4.46Å; L183-F285 HydrophobicContact CB-CE2 4.11Å; L183-F285 HydrophobicContact CD1-CD2 3.6Å; L183-F285 HydrophobicContact CD1-CE2 3.69Å; L183-F285 HydrophobicContact CG-CE2 4.33Å; F281-F285 VanDerWaalsContact O-CB 3.26Å; F281-F285 WeakPolarHBondContact O-CB 3.17Å; F281-F285 PolarHBondContact O-N 3.13Å; G282-F285 PolarHBondContact O-N 2.91Å; F285-G287 PolarHBondContact O-N 2.94Å; F285-A289 HydrophobicContact CD2-CB 3.74Å; F285-A289 HydrophobicContact CE2-CB 3.65Å; F285-A289 HydrophobicContact CG-CB 4.39Å; F285-A289 HydrophobicContact CZ-CB 4.23Å; F285-A289 WeakPolarHBondContact O-CA 3.21Å; F285-A289 WeakPolarHBondContact O-CB 3.33Å; F285-A289 PolarHBondContact O-N 3.35Å
286I93.1Very high90.6Very high58 Ų5842.6 Ų42.630%0.29721%0.214SC..Iπ-helixtrans-64.6-43.7178.2-61.9172.8000110.7F249 L253 G282 L290 I291F249-I286 HydrophobicContact CE1-CD1 4.32Å; F249-I286 HydrophobicContact CZ-CD1 3.95Å; L253-I286 HydrophobicContact CD1-CB 3.81Å; L253-I286 HydrophobicContact CD1-CG2 3.69Å; L253-I286 HydrophobicContact CD2-CG2 4.48Å; G282-I286 WeakPolarHBondContact O-CG1 3.14Å; G282-I286 PolarHBondContact O-N 3.35Å; G282-I286 VanDerWaalsContact O-N 3.08Å; I286-L290 HydrophobicContact CG1-CD1 4.47Å; I286-L290 HydrophobicContact CG2-CD1 4.35Å; I286-L290 WeakPolarHBondContact O-CB 3.17Å; I286-L290 PolarHBondContact O-N 2.87Å; I286-I291 HydrophobicContact CG2-CD1 4.33Å; I286-I291 PolarHBondContact O-N 3.31Å
287G90.1Very high90.6Very high0 Ų038.8 Ų38.80%019%0.188CC..Iπ-helixtrans-63.3-45.3-179.200000113L253 A283 T284 F285 K292L253-G287 VanDerWaalsContact CD1-N 3.33Å; A283-G287 PolarHBondContact O-N 3.35Å; T284-G287 PolarHBondContact O-N 3.16Å; F285-G287 PolarHBondContact O-N 2.94Å; G287-K292 WeakPolarHBondContact O-CB 3.43Å; G287-K292 PolarHBondContact O-N 3.5Å
288K88.1Confident90.6Very high2 Ų239.7 Ų39.71%0.00920%0.195CC..Iπ-helixtrans-89.8-53.3-176.9-66.8-151.9176.7-159.40113.3T185 E189 N260 T284 L290 V293T185-K288 HydrophobicContact CG2-CD 3.63Å; E189-K288 IonicContact OE1-NZ 2.59Å; E189-K288 PolarHBondContact OE1-NZ 3.47Å; N260-K288 PolarHBondContact OD1-NZ 3.5Å; T284-K288 HydrophobicContact CG2-CG 4.38Å; T284-K288 WeakPolarHBondContact O-CB 3.42Å; T284-K288 PolarHBondContact O-N 2.92Å; K288-L290 VanDerWaalsContact C-N 3.34Å; K288-L290 PolarHBondContact O-N 3.46Å; K288-V293 WeakPolarHBondContact O-CB 3.36Å; K288-V293 WeakPolarHBondContact O-CG2 3.22Å; K288-V293 PolarHBondContact O-N 2.79Å; K288-V293 VanDerWaalsContact O-N 3.16Å
289A91.7Very high90.4Very high0 Ų034.2 Ų34.20%018%0.184CC..Iπ-helixtrans-73.8-24.1-173.200000113.5I179 L183 F285I179-A289 WeakPolarHBondContact CG1-O 3.45Å; I179-A289 HydrophobicContact CG2-CB 4.39Å; L183-A289 HydrophobicContact CB-CB 4.43Å; F285-A289 HydrophobicContact CD2-CB 3.74Å; F285-A289 HydrophobicContact CE2-CB 3.65Å; F285-A289 HydrophobicContact CG-CB 4.39Å; F285-A289 HydrophobicContact CZ-CB 4.23Å; F285-A289 WeakPolarHBondContact O-CA 3.21Å; F285-A289 WeakPolarHBondContact O-CB 3.33Å; F285-A289 PolarHBondContact O-N 3.35Å
290L92.3Very high90.2Very high58 Ų5832.9 Ų32.930%0.30417%0.174SC..Iπ-helixtrans-110.3-68.7178.3-54176.4000111I179 I286 K288 H294I179-L290 HydrophobicContact CD1-CD2 4.07Å; I179-L290 HydrophobicContact CG1-CD2 4.26Å; I286-L290 HydrophobicContact CG1-CD1 4.47Å; I286-L290 HydrophobicContact CG2-CD1 4.35Å; I286-L290 WeakPolarHBondContact O-CB 3.17Å; I286-L290 PolarHBondContact O-N 2.87Å; K288-L290 VanDerWaalsContact C-N 3.34Å; K288-L290 PolarHBondContact O-N 3.46Å; L290-H294 VanDerWaalsContact O-CB 3.26Å; L290-H294 WeakPolarHBondContact O-CB 3.39Å; L290-H294 PolarHBondContact O-CD2 3.48Å; L290-H294 VanDerWaalsContact O-CG 3.26Å; L290-H294 PolarHBondContact O-N 3.11Å
291I90.4Very high90.1Very high80 Ų8032.9 Ų32.941%0.4117%0.174SC..Iπ-helixtrans-64.8-57.7-168.7-60.3175.6000111.6L253 I286 H294 L295L253-I291 HydrophobicContact CD1-CD1 3.94Å; L253-I291 HydrophobicContact CD2-CD1 4.34Å; L253-I291 HydrophobicContact CG-CD1 4.27Å; I286-I291 HydrophobicContact CG2-CD1 4.33Å; I286-I291 PolarHBondContact O-N 3.31Å; I291-H294 PolarHBondContact O-N 3.11Å; I291-L295 PolarHBondContact O-N 2.82Å
292K88.5Confident89.7Confident23 Ų2333 Ų3310%0.118%0.181CC..Iπ-helixtrans-65.1-44.1-175.7-178.8179.4177.3173.30112.1N260 G287 H294 L295 Q296N260-K292 PolarHBondContact OD1-NZ 3.28Å; G287-K292 WeakPolarHBondContact O-CB 3.43Å; G287-K292 PolarHBondContact O-N 3.5Å; K292-H294 VanDerWaalsContact C-N 3.35Å; K292-H294 PolarHBondContact O-N 2.9Å; K292-L295 WeakPolarHBondContact O-CB 3.46Å; K292-L295 PolarHBondContact O-N 3.49Å; K292-Q296 WeakPolarHBondContact O-CG 3.4Å; K292-Q296 PolarHBondContact O-N 3.08Å
293V90.2Very high89.1Confident0 Ų035.2 Ų35.20%019%0.187CC..Hα-helixtrans-58.5-47.5176.3154.70000111S178 W181 K288 L295 Q296 Q297S178-V293 VanDerWaalsContact O-CG2 3.27Å; S178-V293 WeakPolarHBondContact O-CG2 3.43Å; W181-V293 HydrophobicContact CE3-CG2 3.71Å; W181-V293 HydrophobicContact CZ3-CG2 3.84Å; K288-V293 WeakPolarHBondContact O-CB 3.36Å; K288-V293 WeakPolarHBondContact O-CG2 3.22Å; K288-V293 PolarHBondContact O-N 2.79Å; K288-V293 VanDerWaalsContact O-N 3.16Å; V293-L295 VanDerWaalsContact C-N 3.3Å; V293-L295 PolarHBondContact O-N 2.94Å; V293-Q296 WeakPolarHBondContact O-CB 3.38Å; V293-Q296 PolarHBondContact O-N 3.4Å; V293-Q296 VanDerWaalsContact O-N 3.13Å; V293-Q297 HydrophobicContact CG1-CG 4.24Å; V293-Q297 VanDerWaalsContact O-CG 3.26Å; V293-Q297 WeakPolarHBondContact O-CG 3.47Å; V293-Q297 PolarHBondContact O-N 3.28Å
294H91.8Very high88.3Confident50 Ų5035.6 Ų35.623%0.23119%0.19CC..Hα-helixtrans-61.7-40.7177.5-76.6-51000111.6Q175 L290 I291 K292 Q296 Q297 L298Q175-H294 PolarHBondContact NE2-CE1 3.35Å; Q175-H294 VanDerWaalsContact NE2-CE1 3.35Å; L290-H294 VanDerWaalsContact O-CB 3.26Å; L290-H294 WeakPolarHBondContact O-CB 3.39Å; L290-H294 PolarHBondContact O-CD2 3.48Å; L290-H294 VanDerWaalsContact O-CG 3.26Å; L290-H294 PolarHBondContact O-N 3.11Å; I291-H294 PolarHBondContact O-N 3.11Å; K292-H294 VanDerWaalsContact C-N 3.35Å; K292-H294 PolarHBondContact O-N 2.9Å; H294-Q296 VanDerWaalsContact C-N 3.34Å; H294-Q296 PolarHBondContact O-N 3.39Å; H294-Q297 PolarHBondContact CE1-OE1 3.28Å; H294-Q297 PolarHBondContact ND1-OE1 3.1Å; H294-Q297 PolarHBondContact O-N 2.79Å; H294-L298 WeakPolarHBondContact O-CB 3.15Å; H294-L298 WeakPolarHBondContact O-CG 3.26Å; H294-L298 PolarHBondContact O-N 2.97Å
295L89.5Confident87.5Confident106 Ų10635.8 Ų35.856%0.55519%0.191SC*.Hα-helixtrans-59.2-44.8173.4-170.772.8000112I291 K292 V293 L298 T299I291-L295 PolarHBondContact O-N 2.82Å; K292-L295 WeakPolarHBondContact O-CB 3.46Å; K292-L295 PolarHBondContact O-N 3.49Å; V293-L295 VanDerWaalsContact C-N 3.3Å; V293-L295 PolarHBondContact O-N 2.94Å; L295-L298 WeakPolarHBondContact O-CB 3.27Å; L295-L298 PolarHBondContact O-N 3.13Å; L295-T299 PolarHBondContact O-N 3.12Å; L295-T299 PolarHBondContact O-OG1 2.88Å; L295-T299 VanDerWaalsContact O-OG1 3.07Å
296Q88.1Confident86.4Confident26 Ų2638.4 Ų38.412%0.12121%0.205CC..Hα-helixtrans-64.3-44.2177.9-75.2178-54.500112.4F121 K292 V293 H294 L298 T299 V300F121-Q296 HydrophobicContact CD2-CB 4.47Å; F121-Q296 HydrophobicContact CE2-CB 3.65Å; F121-Q296 HydrophobicContact CE2-CG 4.16Å; F121-Q296 HydrophobicContact CZ-CB 3.69Å; F121-Q296 HydrophobicContact CZ-CG 4.21Å; K292-Q296 WeakPolarHBondContact O-CG 3.4Å; K292-Q296 PolarHBondContact O-N 3.08Å; V293-Q296 WeakPolarHBondContact O-CB 3.38Å; V293-Q296 PolarHBondContact O-N 3.4Å; V293-Q296 VanDerWaalsContact O-N 3.13Å; H294-Q296 VanDerWaalsContact C-N 3.34Å; H294-Q296 PolarHBondContact O-N 3.39Å; Q296-L298 VanDerWaalsContact C-N 3.31Å; Q296-L298 PolarHBondContact O-N 3.33Å; Q296-T299 PolarHBondContact O-N 2.72Å; Q296-V300 WeakPolarHBondContact O-CG2 3.47Å; Q296-V300 PolarHBondContact O-N 2.9Å
297Q90.6Very high85.2Confident0 Ų041.7 Ų41.70%022%0.218CC..Hα-helixtrans-60.3-43.4174-66.5173.7-51.200111I129 M171 V174 S178 V293 H294 T299 V300 I301I129-Q297 HydrophobicContact CD1-CB 4.44Å; I129-Q297 HydrophobicContact CD1-CG 3.86Å; M171-Q297 HydrophobicContact CE-CB 3.7Å; M171-Q297 HydrophobicContact SD-CB 3.32Å; M171-Q297 WeakPolarHBondContact SD-CB 3.49Å; M171-Q297 HydrophobicContact SD-CG 4Å; M171-Q297 PolarHBondContact SD-OE1 3.45Å; V174-Q297 PolarHBondContact O-NE2 2.78Å; S178-Q297 PolarHBondContact OG-NE2 3.01Å; V293-Q297 HydrophobicContact CG1-CG 4.24Å; V293-Q297 VanDerWaalsContact O-CG 3.26Å; V293-Q297 WeakPolarHBondContact O-CG 3.47Å; V293-Q297 PolarHBondContact O-N 3.28Å; H294-Q297 PolarHBondContact CE1-OE1 3.28Å; H294-Q297 PolarHBondContact ND1-OE1 3.1Å; H294-Q297 PolarHBondContact O-N 2.79Å; Q297-T299 VanDerWaalsContact C-N 3.32Å; Q297-T299 PolarHBondContact O-N 3.29Å; Q297-V300 PolarHBondContact O-N 3.35Å; Q297-I301 WeakPolarHBondContact O-CB 3.16Å; Q297-I301 VanDerWaalsContact O-CG1 3.23Å; Q297-I301 WeakPolarHBondContact O-CG1 3.25Å; Q297-I301 PolarHBondContact O-N 3.39Å
298L89.5Confident84.1Confident66 Ų6645 Ų4535%0.34623%0.234SC..Hα-helixtrans-58.3-48179.4-75.1171.7000110.3F167 M171 H294 L295 Q296 A302F167-L298 HydrophobicContact CE1-CD2 3.27Å; F167-L298 HydrophobicContact CZ-CB 4.44Å; F167-L298 HydrophobicContact CZ-CD2 3.44Å; F167-L298 VanDerWaalsContact CZ-CD2 3.44Å; M171-L298 HydrophobicContact CE-CB 4.27Å; M171-L298 HydrophobicContact CE-CD2 3.4Å; M171-L298 VanDerWaalsContact CE-CD2 3.4Å; M171-L298 HydrophobicContact CE-CG 3.66Å; H294-L298 WeakPolarHBondContact O-CB 3.15Å; H294-L298 WeakPolarHBondContact O-CG 3.26Å; H294-L298 PolarHBondContact O-N 2.97Å; L295-L298 WeakPolarHBondContact O-CB 3.27Å; L295-L298 PolarHBondContact O-N 3.13Å; Q296-L298 VanDerWaalsContact C-N 3.31Å; Q296-L298 PolarHBondContact O-N 3.33Å; L298-A302 WeakPolarHBondContact O-CB 3.2Å; L298-A302 PolarHBondContact O-N 3.49Å
299T86.1Confident83.1Confident84 Ų8445.4 Ų45.452%0.51524%0.237SC..Hα-helixtrans-61.7-45.4178.4-56.70000112L295 Q296 Q297 L303L295-T299 PolarHBondContact O-N 3.12Å; L295-T299 PolarHBondContact O-OG1 2.88Å; L295-T299 VanDerWaalsContact O-OG1 3.07Å; Q296-T299 PolarHBondContact O-N 2.72Å; Q297-T299 VanDerWaalsContact C-N 3.32Å; Q297-T299 PolarHBondContact O-N 3.29Å; T299-L303 VanDerWaalsContact O-CB 3.27Å; T299-L303 WeakPolarHBondContact O-CB 3.47Å; T299-L303 PolarHBondContact O-N 3.34Å
300V87Confident82.1Confident20 Ų2050.2 Ų50.212%0.12126%0.259CS..Hα-helixtrans-70.6-43.2-177.6177.20000112.2F121 I129 A130 Q296 Q297 A302 L303 S304F121-V300 HydrophobicContact CE1-CG2 3.87Å; F121-V300 HydrophobicContact CZ-CG2 3.5Å; F121-V300 VanDerWaalsContact CZ-CG2 3.5Å; I129-V300 HydrophobicContact CB-CB 4.42Å; I129-V300 HydrophobicContact CB-CG1 3.84Å; I129-V300 HydrophobicContact CG2-CB 3.99Å; I129-V300 HydrophobicContact CG2-CG1 3.66Å; A130-V300 HydrophobicContact CB-CG1 4.15Å; Q296-V300 WeakPolarHBondContact O-CG2 3.47Å; Q296-V300 PolarHBondContact O-N 2.9Å; Q297-V300 PolarHBondContact O-N 3.35Å; V300-A302 VanDerWaalsContact C-N 3.31Å; V300-A302 PolarHBondContact O-N 3.11Å; V300-L303 PolarHBondContact O-N 3.35Å; V300-S304 VanDerWaalsContact O-CB 3.22Å; V300-S304 WeakPolarHBondContact O-CB 3.19Å; V300-S304 PolarHBondContact O-N 3.15Å
301I86.7Confident81Confident0 Ų050.6 Ų50.60%026%0.264CS..Hα-helixtrans-64.5-40.5178.1-62.2168.4000110I129 T133 F167 I170 M171 V174 Q297 S304 S305I129-I301 HydrophobicContact CG2-CD1 4.37Å; I129-I301 HydrophobicContact CG2-CG1 3.63Å; T133-I301 HydrophobicContact CG2-CG2 3.95Å; F167-I301 HydrophobicContact CD2-CB 4.21Å; F167-I301 HydrophobicContact CD2-CG2 3.38Å; F167-I301 HydrophobicContact CE2-CB 3.62Å; F167-I301 HydrophobicContact CE2-CG2 3.32Å; F167-I301 HydrophobicContact CG-CG2 4.19Å; F167-I301 HydrophobicContact CZ-CB 4.07Å; F167-I301 HydrophobicContact CZ-CG2 4.09Å; I170-I301 HydrophobicContact CG2-CD1 4.04Å; I170-I301 HydrophobicContact CG2-CG1 4.23Å; I170-I301 HydrophobicContact CG2-CG2 4.34Å; M171-I301 HydrophobicContact CB-CD1 4.13Å; M171-I301 HydrophobicContact CE-CD1 3.71Å; M171-I301 HydrophobicContact SD-CD1 3.95Å; V174-I301 HydrophobicContact CG2-CD1 4.43Å; Q297-I301 WeakPolarHBondContact O-CB 3.16Å; Q297-I301 VanDerWaalsContact O-CG1 3.23Å; Q297-I301 WeakPolarHBondContact O-CG1 3.25Å; Q297-I301 PolarHBondContact O-N 3.39Å; I301-S304 PolarHBondContact O-N 3.31Å; I301-S305 WeakPolarHBondContact O-CB 3.39Å; I301-S305 PolarHBondContact O-N 3.22Å; I301-S305 VanDerWaalsContact O-N 3.14Å
302A83.3Confident80.1Confident36 Ų3650.5 Ų50.530%0.29826%0.264SS..Hα-helixtrans-64-42.6176.200000111.8F167 L298 V300 S304 S305 H308F167-A302 HydrophobicContact CE2-CB 4.35Å; L298-A302 WeakPolarHBondContact O-CB 3.2Å; L298-A302 PolarHBondContact O-N 3.49Å; V300-A302 VanDerWaalsContact C-N 3.31Å; V300-A302 PolarHBondContact O-N 3.11Å; A302-S304 VanDerWaalsContact C-N 3.29Å; A302-S304 PolarHBondContact O-N 3.12Å; A302-S305 PolarHBondContact O-N 3.46Å; A302-H308 WeakPolarHBondContact O-CB 3.32Å
303L80.2Confident79.4Confident66 Ų6649.6 Ų49.635%0.34626%0.26SS..Hα-helixtrans-71-23.7178-167.464.5000113.3T299 V300 V309 F330 L334T299-L303 VanDerWaalsContact O-CB 3.27Å; T299-L303 WeakPolarHBondContact O-CB 3.47Å; T299-L303 PolarHBondContact O-N 3.34Å; V300-L303 PolarHBondContact O-N 3.35Å; L303-V309 WeakPolarHBondContact O-CG2 3.44Å; L303-F330 HydrophobicContact CD1-CZ 4.38Å; L303-L334 HydrophobicContact CD1-CD1 3.73Å; L303-L334 HydrophobicContact CD1-CD2 3.55Å; L303-L334 HydrophobicContact CD1-CG 4.31Å; L303-L334 HydrophobicContact CD2-CD2 4.15Å; L303-L334 HydrophobicContact CG-CD2 3.89Å
304S75Confident78.7Confident9 Ų955.9 Ų55.96%0.06329%0.289CS..Hα-helixtrans-90.4-14-179.8-177.30000113.5A130 M134 V300 I301 A302A130-S304 PolarHBondContact O-OG 2.85Å; M134-S304 WeakPolarHBondContact CE-OG 3.15Å; M134-S304 VanDerWaalsContact CG-OG 3.29Å; M134-S304 WeakPolarHBondContact CG-OG 3.13Å; V300-S304 VanDerWaalsContact O-CB 3.22Å; V300-S304 WeakPolarHBondContact O-CB 3.19Å; V300-S304 PolarHBondContact O-N 3.15Å; I301-S304 PolarHBondContact O-N 3.31Å; A302-S304 VanDerWaalsContact C-N 3.29Å; A302-S304 PolarHBondContact O-N 3.12Å
305S73.4Confident77.9Confident4 Ų459.1 Ų59.13%0.02831%0.308CS..  trans-93.5115.3-176.6177.30000110.5Y137 I301 A302 H307 H308 V309Y137-S305 PolarHBondContact OH-OG 2.85Å; I301-S305 WeakPolarHBondContact O-CB 3.39Å; I301-S305 PolarHBondContact O-N 3.22Å; I301-S305 VanDerWaalsContact O-N 3.14Å; A302-S305 PolarHBondContact O-N 3.46Å; S305-H307 VanDerWaalsContact C-N 3.32Å; S305-H307 PolarHBondContact O-N 3.3Å; S305-H308 PolarHBondContact O-N 2.88Å; S305-H308 PolarHBondContact OG-CD2 3.33Å; S305-H308 VanDerWaalsContact OG-CD2 3.29Å; S305-V309 WeakPolarHBondContact O-CG2 3.44Å; S305-V309 PolarHBondContact O-N 3.27Å
306E68.9Low77.2Confident118 Ų11855.9 Ų55.955%0.55129%0.291SS*.Hα-helixtrans-48.8-51.1-177.7-66-178.1168.300112.4H308 V309 E310 K338E306-H308 PolarHBondContact O-N 3.37Å; E306-V309 PolarHBondContact O-N 2.61Å; E306-E310 WeakPolarHBondContact O-CG 3.43Å; E306-E310 PolarHBondContact O-N 3.14Å; E306-K338 IonicContact OE1-NZ 3.46Å; E306-K338 PolarHBondContact OE1-NZ 2.88Å
307H67Low76.6Confident127 Ų12755.4 Ų55.459%0.58829%0.293SS*.Hα-helixtrans-57-35.6179.5-173.760.9000113.5S305 T311S305-H307 VanDerWaalsContact C-N 3.32Å; S305-H307 PolarHBondContact O-N 3.3Å; H307-T311 PolarHBondContact O-N 2.97Å; H307-T311 PolarHBondContact O-OG1 3.32Å
308H67.9Low76.1Confident71 Ų7165.8 Ų65.833%0.32933%0.332SS..Hα-helixtrans-84.7-34.1-179.8-67.8-45.2000112.3A302 S305 E306 T311 L312A302-H308 WeakPolarHBondContact O-CB 3.32Å; S305-H308 PolarHBondContact O-N 2.88Å; S305-H308 PolarHBondContact OG-CD2 3.33Å; S305-H308 VanDerWaalsContact OG-CD2 3.29Å; E306-H308 PolarHBondContact O-N 3.37Å; H308-T311 PolarHBondContact O-N 3.1Å; H308-L312 VanDerWaalsContact O-CB 3.29Å; H308-L312 WeakPolarHBondContact O-CB 3.49Å; H308-L312 PolarHBondContact O-N 3.41Å
309V67.2Low75.6Confident10 Ų1066.9 Ų66.96%0.06134%0.337CS..Hα-helixtrans-61.9-49.6173.11720000110L303 S305 E306 T311 L312 V313 L331 L334L303-V309 WeakPolarHBondContact O-CG2 3.44Å; S305-V309 WeakPolarHBondContact O-CG2 3.44Å; S305-V309 PolarHBondContact O-N 3.27Å; E306-V309 PolarHBondContact O-N 2.61Å; V309-T311 VanDerWaalsContact C-N 3.34Å; V309-T311 PolarHBondContact O-N 3.13Å; V309-L312 PolarHBondContact O-N 3.07Å; V309-V313 HydrophobicContact CG1-CG2 4.02Å; V309-V313 VanDerWaalsContact O-CB 3.22Å; V309-V313 WeakPolarHBondContact O-CB 3.4Å; V309-V313 WeakPolarHBondContact O-CG2 3.31Å; V309-V313 PolarHBondContact O-N 3.39Å; V309-L331 HydrophobicContact CG1-CD1 4.09Å; V309-L334 HydrophobicContact CG1-CD1 3.5Å; V309-L334 HydrophobicContact CG2-CD1 4.41Å
310E70.4Confident75Confident101 Ų10169 Ų6947%0.47235%0.353SS..Hα-helixtrans-57.7-47.5176.7-71.4174.5177.100111.1E306 L312 V313 E314E306-E310 WeakPolarHBondContact O-CG 3.43Å; E306-E310 PolarHBondContact O-N 3.14Å; E310-L312 VanDerWaalsContact C-N 3.34Å; E310-L312 PolarHBondContact O-N 3.4Å; E310-V313 PolarHBondContact O-N 3.24Å; E310-E314 WeakPolarHBondContact O-CB 3.28Å; E310-E314 WeakPolarHBondContact O-CG 3.45Å; E310-E314 PolarHBondContact O-N 3.48Å
311T70.3Confident74.2Confident66 Ų6673 Ų7341%0.40538%0.376SS..Hα-helixtrans-59.5-42.4176.3-56.30000112.3H307 H308 V309 L315H307-T311 PolarHBondContact O-N 2.97Å; H307-T311 PolarHBondContact O-OG1 3.32Å; H308-T311 PolarHBondContact O-N 3.1Å; V309-T311 VanDerWaalsContact C-N 3.34Å; V309-T311 PolarHBondContact O-N 3.13Å; T311-L315 WeakPolarHBondContact O-CB 3.32Å; T311-L315 PolarHBondContact O-N 2.81Å
312L70.8Confident73.8Confident78 Ų7880 Ų8041%0.40840%0.404SS..Hα-helixtrans-66.8-43178.5179.264.2000111.3H308 V309 E310 L315 I316H308-L312 VanDerWaalsContact O-CB 3.29Å; H308-L312 WeakPolarHBondContact O-CB 3.49Å; H308-L312 PolarHBondContact O-N 3.41Å; V309-L312 PolarHBondContact O-N 3.07Å; E310-L312 VanDerWaalsContact C-N 3.34Å; E310-L312 PolarHBondContact O-N 3.4Å; L312-L315 PolarHBondContact O-N 3.32Å; L312-I316 HydrophobicContact CD1-CD1 4.45Å; L312-I316 HydrophobicContact CG-CD1 4.1Å; L312-I316 VanDerWaalsContact O-CG1 3.28Å; L312-I316 WeakPolarHBondContact O-CG1 3.48Å; L312-I316 PolarHBondContact O-N 2.95Å
313V73.7Confident73.2Confident4 Ų478.3 Ų78.32%0.02439%0.39CS..Hα-helixtrans-63.7-41.3177.6168.50000110.3V309 E310 I316 G317 Q327 F330 L331V309-V313 HydrophobicContact CG1-CG2 4.02Å; V309-V313 VanDerWaalsContact O-CB 3.22Å; V309-V313 WeakPolarHBondContact O-CB 3.4Å; V309-V313 WeakPolarHBondContact O-CG2 3.31Å; V309-V313 PolarHBondContact O-N 3.39Å; E310-V313 PolarHBondContact O-N 3.24Å; V313-I316 PolarHBondContact O-N 2.83Å; V313-G317 PolarHBondContact O-N 3.26Å; V313-Q327 HydrophobicContact CB-CG 4.45Å; V313-Q327 HydrophobicContact CG1-CB 4.43Å; V313-Q327 HydrophobicContact CG1-CG 3.18Å; V313-F330 HydrophobicContact CG2-CD1 3.94Å; V313-F330 HydrophobicContact CG2-CE1 4.29Å; V313-L331 HydrophobicContact CG1-CB 4.27Å; V313-L331 HydrophobicContact CG1-CD1 4.4Å; V313-L331 HydrophobicContact CG2-CB 4.5Å; V313-L331 HydrophobicContact CG2-CD1 4.12Å
314E74.8Confident72.9Confident131 Ų13183.4 Ų83.461%0.61241%0.41SS*.Hα-helixtrans-62.5-42.8171.7-76.3-178.9178.400112.5E310 G317 R318E310-E314 WeakPolarHBondContact O-CB 3.28Å; E310-E314 WeakPolarHBondContact O-CG 3.45Å; E310-E314 PolarHBondContact O-N 3.48Å; E314-G317 WeakPolarHBondContact O-CA 3.39Å; E314-G317 PolarHBondContact O-N 3.23Å; E314-G317 VanDerWaalsContact O-N 3.14Å; E314-R318 PolarHBondContact O-N 2.68Å; E314-R318 VanDerWaalsContact O-N 3.11Å
315L76.5Confident72.9Confident119 Ų11990.2 Ų90.262%0.62344%0.44SS*.Hα-helixtrans-66.1-38.4178.3-166.4128.1000111.9T311 L312 G317 R318T311-L315 WeakPolarHBondContact O-CB 3.32Å; T311-L315 PolarHBondContact O-N 2.81Å; L312-L315 PolarHBondContact O-N 3.32Å; L315-G317 VanDerWaalsContact C-N 3.34Å; L315-R318 WeakPolarHBondContact O-CB 3.22Å; L315-R318 PolarHBondContact O-N 3.37Å
316I74.5Confident73Confident37 Ų3794.6 Ų94.619%0.1946%0.463CS..Hα-helixtrans-63.3-42.2170.4-69164.4000110.2L312 V313 R318 I319 G323 L326 F330L312-I316 HydrophobicContact CD1-CD1 4.45Å; L312-I316 HydrophobicContact CG-CD1 4.1Å; L312-I316 VanDerWaalsContact O-CG1 3.28Å; L312-I316 WeakPolarHBondContact O-CG1 3.48Å; L312-I316 PolarHBondContact O-N 2.95Å; V313-I316 PolarHBondContact O-N 2.83Å; I316-R318 PolarHBondContact O-N 2.8Å; I316-R318 VanDerWaalsContact O-N 3.16Å; I316-I319 WeakPolarHBondContact O-CB 3.28Å; I316-I319 WeakPolarHBondContact O-CG1 3.28Å; I316-I319 PolarHBondContact O-N 3.29Å; I316-G323 WeakPolarHBondContact O-CA 3.39Å; I316-L326 HydrophobicContact CG2-CB 4.47Å; I316-F330 HydrophobicContact CD1-CD1 4.3Å; I316-F330 HydrophobicContact CD1-CE1 4.19Å
317G74.5Confident73.3Confident16 Ų1692 Ų9217%0.16545%0.451CS..Hα-helixtrans-58.2-24.8175.600000114.2V313 E314 L315 I319V313-G317 PolarHBondContact O-N 3.26Å; E314-G317 WeakPolarHBondContact O-CA 3.39Å; E314-G317 PolarHBondContact O-N 3.23Å; E314-G317 VanDerWaalsContact O-N 3.14Å; L315-G317 VanDerWaalsContact C-N 3.34Å; G317-I319 VanDerWaalsContact C-N 3.28Å; G317-I319 PolarHBondContact O-N 2.81Å
318R80.6Confident73.7Confident218 Ų21889.8 Ų89.882%0.82345%0.45SS*.THydrogen-bonded Turntrans-75-11.7175.7-163.9171.3-179.6153.30.6113.7E314 L315 I316 P320E314-R318 PolarHBondContact O-N 2.68Å; E314-R318 VanDerWaalsContact O-N 3.11Å; L315-R318 WeakPolarHBondContact O-CB 3.22Å; L315-R318 PolarHBondContact O-N 3.37Å; I316-R318 PolarHBondContact O-N 2.8Å; I316-R318 VanDerWaalsContact O-N 3.16Å; R318-P320 WeakPolarHBondContact O-CD 3.47Å
319I79.2Confident74.1Confident90 Ų9089.9 Ų89.946%0.46246%0.456SS..SBendtrans-71.3118.6177.4-60.5172.7000109I316 G317 V321 G323I316-I319 WeakPolarHBondContact O-CB 3.28Å; I316-I319 WeakPolarHBondContact O-CG1 3.28Å; I316-I319 PolarHBondContact O-N 3.29Å; G317-I319 VanDerWaalsContact C-N 3.28Å; G317-I319 PolarHBondContact O-N 2.81Å; I319-V321 VanDerWaalsContact C-N 3.25Å; I319-V321 PolarHBondContact O-N 3.44Å; I319-G323 WeakPolarHBondContact O-CA 3.4Å; I319-G323 PolarHBondContact O-N 2.9Å; I319-G323 VanDerWaalsContact O-N 3.08Å
320P72.4Confident74.4Confident129 Ų12992.8 Ų92.884%0.83847%0.468SS*.THydrogen-bonded Turntrans-67.9-13.1-162.323-33.4000116R318R318-P320 WeakPolarHBondContact O-CD 3.47Å
321V71.9Confident74.7Confident102 Ų10290.5 Ų90.562%0.61846%0.459SS*.THydrogen-bonded Turntrans-110.8-44.6-172.8-172.90000112.9I319I319-V321 VanDerWaalsContact C-N 3.25Å; I319-V321 PolarHBondContact O-N 3.44Å
322Y76.9Confident75Confident148 Ų14893.4 Ų93.458%0.5847%0.468SS*.THydrogen-bonded Turntrans-121.6-5.7-173.9-57.8-74.8000113.7K324 Q325 L326Y322-K324 PolarHBondContact O-N 3.36Å; Y322-Q325 PolarHBondContact O-N 2.89Å; Y322-L326 WeakPolarHBondContact O-CB 3.2Å; Y322-L326 WeakPolarHBondContact O-CG 3.43Å; Y322-L326 PolarHBondContact O-N 3.29Å
323G72.3Confident75.1Confident1 Ų195.8 Ų95.81%0.0147%0.473CS..Hα-helixtrans-56.6-55.2-168.100000113.4I316 I319 Q325 L326 Q327I316-G323 WeakPolarHBondContact O-CA 3.39Å; I319-G323 WeakPolarHBondContact O-CA 3.4Å; I319-G323 PolarHBondContact O-N 2.9Å; I319-G323 VanDerWaalsContact O-N 3.08Å; G323-Q325 PolarHBondContact O-N 2.84Å; G323-L326 PolarHBondContact O-N 3.4Å; G323-Q327 WeakPolarHBondContact O-CB 3.1Å; G323-Q327 PolarHBondContact O-N 2.83Å
324K72.2Confident75Confident173 Ų17396.3 Ų96.375%0.75248%0.475SS*.Hα-helixtrans-66.1-33.8-177.9-66.1-167.7178.7-174.30113.9Y322Y322-K324 PolarHBondContact O-N 3.36Å
325Q76.5Confident75Confident151 Ų15194.9 Ų94.971%0.70647%0.468SS*.Hα-helixtrans-72.6-31.2178-73.7-174.1-5.800112.2Y322 G323 P329Y322-Q325 PolarHBondContact O-N 2.89Å; G323-Q325 PolarHBondContact O-N 2.84Å; Q325-P329 WeakPolarHBondContact O-CD 3.37Å; Q325-P329 VanDerWaalsContact O-CG 3.27Å; Q325-P329 WeakPolarHBondContact O-CG 3.31Å
326L73.9Confident74.8Confident97 Ų9795.3 Ų95.351%0.50847%0.467SS..Hα-helixtrans-85.1-25.2177.3-69.1170.5000112.7I316 Y322 G323 P329 F330I316-L326 HydrophobicContact CG2-CB 4.47Å; Y322-L326 WeakPolarHBondContact O-CB 3.2Å; Y322-L326 WeakPolarHBondContact O-CG 3.43Å; Y322-L326 PolarHBondContact O-N 3.29Å; G323-L326 PolarHBondContact O-N 3.4Å; L326-P329 WeakPolarHBondContact O-CD 3.46Å; L326-P329 WeakPolarHBondContact O-CG 3.41Å; L326-F330 WeakPolarHBondContact O-CB 3.38Å; L326-F330 PolarHBondContact O-N 2.92Å; L326-F330 VanDerWaalsContact O-N 3.14Å
327Q77Confident74.4Confident64 Ų6497.1 Ų97.130%0.29947%0.474SS..Hα-helixtrans-57.7-52.7-176-166.4-178.4-1000112.7V313 G323 L331V313-Q327 HydrophobicContact CB-CG 4.45Å; V313-Q327 HydrophobicContact CG1-CB 4.43Å; V313-Q327 HydrophobicContact CG1-CG 3.18Å; G323-Q327 WeakPolarHBondContact O-CB 3.1Å; G323-Q327 PolarHBondContact O-N 2.83Å; Q327-L331 WeakPolarHBondContact O-CB 3.43Å; Q327-L331 PolarHBondContact O-N 2.97Å
328S75.6Confident74.1Confident80 Ų8098.6 Ų98.656%0.55948%0.477SS*.Hα-helixtrans-68.5-48.9-17752.70000114.5F330 L331 E332S328-F330 VanDerWaalsContact C-N 3.27Å; S328-F330 PolarHBondContact O-N 3.45Å; S328-L331 PolarHBondContact O-N 3.22Å; S328-E332 WeakPolarHBondContact O-CB 3.18Å; S328-E332 PolarHBondContact O-N 3.18Å
329P76Confident73.6Confident72 Ų7290.5 Ų90.547%0.46846%0.456SS..Hα-helixtrans-66-32.6178.727-36000112Q325 L326 Y333Q325-P329 WeakPolarHBondContact O-CD 3.37Å; Q325-P329 VanDerWaalsContact O-CG 3.27Å; Q325-P329 WeakPolarHBondContact O-CG 3.31Å; L326-P329 WeakPolarHBondContact O-CD 3.46Å; L326-P329 WeakPolarHBondContact O-CG 3.41Å; P329-Y333 VanDerWaalsContact O-CB 3.23Å; P329-Y333 WeakPolarHBondContact O-CB 3.27Å; P329-Y333 PolarHBondContact O-N 3.45Å
330F73.2Confident73Confident72 Ų7289.3 Ų89.332%0.31646%0.456SS..Hα-helixtrans-69.7-45.1177.2-173.3-108.3000111.6L303 V313 I316 L326 S328 Y333 L334L303-F330 HydrophobicContact CD1-CZ 4.38Å; V313-F330 HydrophobicContact CG2-CD1 3.94Å; V313-F330 HydrophobicContact CG2-CE1 4.29Å; I316-F330 HydrophobicContact CD1-CD1 4.3Å; I316-F330 HydrophobicContact CD1-CE1 4.19Å; L326-F330 WeakPolarHBondContact O-CB 3.38Å; L326-F330 PolarHBondContact O-N 2.92Å; L326-F330 VanDerWaalsContact O-N 3.14Å; S328-F330 VanDerWaalsContact C-N 3.27Å; S328-F330 PolarHBondContact O-N 3.45Å; F330-Y333 PolarHBondContact O-N 3.5Å; F330-L334 HydrophobicContact CD1-CD1 3.91Å; F330-L334 HydrophobicContact CE1-CD1 3.48Å; F330-L334 VanDerWaalsContact CE1-CD1 3.48Å; F330-L334 HydrophobicContact CE1-CG 4.33Å; F330-L334 HydrophobicContact CZ-CD1 3.84Å; F330-L334 HydrophobicContact CZ-CD2 4.49Å; F330-L334 HydrophobicContact CZ-CG 4.36Å; F330-L334 VanDerWaalsContact O-CG 3.31Å; F330-L334 WeakPolarHBondContact O-CG 3.05Å; F330-L334 PolarHBondContact O-N 3.27Å
331L76.7Confident72.5Confident52 Ų5286.1 Ų86.127%0.27243%0.431SS..Hα-helixtrans-61.8-45.6175.9-17569.3000111.7V309 V313 Q327 S328 Y333 L334 H335V309-L331 HydrophobicContact CG1-CD1 4.09Å; V313-L331 HydrophobicContact CG1-CB 4.27Å; V313-L331 HydrophobicContact CG1-CD1 4.4Å; V313-L331 HydrophobicContact CG2-CB 4.5Å; V313-L331 HydrophobicContact CG2-CD1 4.12Å; Q327-L331 WeakPolarHBondContact O-CB 3.43Å; Q327-L331 PolarHBondContact O-N 2.97Å; S328-L331 PolarHBondContact O-N 3.22Å; L331-Y333 PolarHBondContact O-N 2.94Å; L331-L334 PolarHBondContact O-N 2.98Å; L331-H335 PolarHBondContact O-CD2 2.84Å; L331-H335 VanDerWaalsContact O-CD2 3.3Å; L331-H335 PolarHBondContact O-N 2.83Å
332E76.5Confident71.9Confident127 Ų12786.2 Ų86.259%0.59343%0.425SS*.Hα-helixtrans-60.8-44.8177.8-171.962.3-148.400111.5S328 L334 H335 Q336S328-E332 WeakPolarHBondContact O-CB 3.18Å; S328-E332 PolarHBondContact O-N 3.18Å; E332-L334 VanDerWaalsContact C-N 3.31Å; E332-L334 PolarHBondContact O-N 3.41Å; E332-H335 PolarHBondContact O-N 3.29Å; E332-Q336 WeakPolarHBondContact O-CB 3.06Å; E332-Q336 PolarHBondContact O-N 3.27Å
333Y72.5Confident71.3Confident129 Ų12984.3 Ų84.351%0.50643%0.425SS..Hα-helixtrans-58.3-42.4175.4177-100.5000112.2P329 F330 L331 Q336 Q337P329-Y333 VanDerWaalsContact O-CB 3.23Å; P329-Y333 WeakPolarHBondContact O-CB 3.27Å; P329-Y333 PolarHBondContact O-N 3.45Å; F330-Y333 PolarHBondContact O-N 3.5Å; L331-Y333 PolarHBondContact O-N 2.94Å; Y333-Q336 PolarHBondContact O-N 3.46Å; Y333-Q337 HydrophobicContact CE1-CG 4.29Å; Y333-Q337 WeakPolarHBondContact O-CB 3.09Å; Y333-Q337 WeakPolarHBondContact O-CG 3.48Å; Y333-Q337 PolarHBondContact O-N 2.9Å; Y333-Q337 PolarHBondContact OH-NE2 3.4Å
334L71.3Confident70.6Confident14 Ų1490.7 Ų90.77%0.07345%0.452CS..Hα-helixtrans-68.6-41.1177.6-68179.1000112.4L303 V309 F330 L331 E332 Q337 K338L303-L334 HydrophobicContact CD1-CD1 3.73Å; L303-L334 HydrophobicContact CD1-CD2 3.55Å; L303-L334 HydrophobicContact CD1-CG 4.31Å; L303-L334 HydrophobicContact CD2-CD2 4.15Å; L303-L334 HydrophobicContact CG-CD2 3.89Å; V309-L334 HydrophobicContact CG1-CD1 3.5Å; V309-L334 HydrophobicContact CG2-CD1 4.41Å; F330-L334 HydrophobicContact CD1-CD1 3.91Å; F330-L334 HydrophobicContact CE1-CD1 3.48Å; F330-L334 VanDerWaalsContact CE1-CD1 3.48Å; F330-L334 HydrophobicContact CE1-CG 4.33Å; F330-L334 HydrophobicContact CZ-CD1 3.84Å; F330-L334 HydrophobicContact CZ-CD2 4.49Å; F330-L334 HydrophobicContact CZ-CG 4.36Å; F330-L334 VanDerWaalsContact O-CG 3.31Å; F330-L334 WeakPolarHBondContact O-CG 3.05Å; F330-L334 PolarHBondContact O-N 3.27Å; L331-L334 PolarHBondContact O-N 2.98Å; E332-L334 VanDerWaalsContact C-N 3.31Å; E332-L334 PolarHBondContact O-N 3.41Å; L334-Q337 PolarHBondContact O-N 3.23Å; L334-K338 WeakPolarHBondContact O-CB 3.2Å; L334-K338 PolarHBondContact O-N 2.88Å
335H74.9Confident69.3Low101 Ų10189.9 Ų89.947%0.46845%0.451SS..Hα-helixtrans-63.2-42.1174.7-81.9-139.5000111.3L331 E332 K338 A339L331-H335 PolarHBondContact O-CD2 2.84Å; L331-H335 VanDerWaalsContact O-CD2 3.3Å; L331-H335 PolarHBondContact O-N 2.83Å; E332-H335 PolarHBondContact O-N 3.29Å; H335-K338 PolarHBondContact O-N 3.12Å; H335-A339 WeakPolarHBondContact O-CB 3.48Å; H335-A339 PolarHBondContact O-N 3.47Å
336Q72.9Confident67.8Low128 Ų12889.6 Ų89.660%0.59845%0.448SS*.Hα-helixtrans-63.8-44.1176.2-172.7177.913.900111.7E332 Y333 A339 S340E332-Q336 WeakPolarHBondContact O-CB 3.06Å; E332-Q336 PolarHBondContact O-N 3.27Å; Y333-Q336 PolarHBondContact O-N 3.46Å; Q336-A339 PolarHBondContact O-N 3.01Å; Q336-S340 WeakPolarHBondContact O-CB 3.47Å; Q336-S340 PolarHBondContact O-N 3.01Å; Q336-S340 PolarHBondContact O-OG 3.19Å
337Q66.7Low66.2Low75 Ų7592.4 Ų92.435%0.3546%0.463SS..Hα-helixtrans-59.8-46.6173.6-78.6-165.8-13.100111.5Y333 L334 A339 S340 L341Y333-Q337 HydrophobicContact CE1-CG 4.29Å; Y333-Q337 WeakPolarHBondContact O-CB 3.09Å; Y333-Q337 WeakPolarHBondContact O-CG 3.48Å; Y333-Q337 PolarHBondContact O-N 2.9Å; Y333-Q337 PolarHBondContact OH-NE2 3.4Å; L334-Q337 PolarHBondContact O-N 3.23Å; Q337-A339 PolarHBondContact O-N 3.28Å; Q337-S340 WeakPolarHBondContact CA-OG 3.47Å; Q337-S340 PolarHBondContact O-N 3.26Å; Q337-S340 PolarHBondContact O-OG 3.47Å; Q337-L341 WeakPolarHBondContact O-CD1 3.48Å; Q337-L341 PolarHBondContact O-N 2.89Å
338K68.3Low65Low48 Ų4893.4 Ų93.421%0.20949%0.491CS..Hα-helixtrans-58-48175.6179.9171-178175.30112.2M134 E306 L334 H335 S340 L341 H342M134-K338 HydrophobicContact CE-CB 4.01Å; M134-K338 HydrophobicContact CE-CD 4.28Å; M134-K338 HydrophobicContact CE-CG 3.76Å; M134-K338 HydrophobicContact SD-CG 3.91Å; E306-K338 IonicContact OE1-NZ 3.46Å; E306-K338 PolarHBondContact OE1-NZ 2.88Å; L334-K338 WeakPolarHBondContact O-CB 3.2Å; L334-K338 PolarHBondContact O-N 2.88Å; H335-K338 PolarHBondContact O-N 3.12Å; K338-S340 VanDerWaalsContact C-N 3.3Å; K338-S340 PolarHBondContact O-N 3.32Å; K338-L341 WeakPolarHBondContact O-CB 3.32Å; K338-L341 PolarHBondContact O-N 3.21Å; K338-L341 VanDerWaalsContact O-N 3.13Å; K338-H342 PolarHBondContact O-N 3.03Å
339A69Low63.5Low48 Ų4897.1 Ų97.140%0.39750%0.499SS..Hα-helixtrans-61.4-38.8177.500000111.9H335 Q336 Q337 L341 H342 N343H335-A339 WeakPolarHBondContact O-CB 3.48Å; H335-A339 PolarHBondContact O-N 3.47Å; Q336-A339 PolarHBondContact O-N 3.01Å; Q337-A339 PolarHBondContact O-N 3.28Å; A339-L341 VanDerWaalsContact C-N 3.33Å; A339-L341 PolarHBondContact O-N 2.89Å; A339-H342 PolarHBondContact O-N 2.83Å; A339-N343 WeakPolarHBondContact O-CB 3.36Å; A339-N343 PolarHBondContact O-N 2.96Å
340S66.3Low62.4Low64 Ų6499.2 Ų99.245%0.44850%0.503SS..Hα-helixtrans-67.6-29.2175.4730000113.9Q336 Q337 K338Q336-S340 WeakPolarHBondContact O-CB 3.47Å; Q336-S340 PolarHBondContact O-N 3.01Å; Q336-S340 PolarHBondContact O-OG 3.19Å; Q337-S340 WeakPolarHBondContact CA-OG 3.47Å; Q337-S340 PolarHBondContact O-N 3.26Å; Q337-S340 PolarHBondContact O-OG 3.47Å; K338-S340 VanDerWaalsContact C-N 3.3Å; K338-S340 PolarHBondContact O-N 3.32Å
341L61.4Low62.2Low63 Ų6398 Ų9833%0.3350%0.503SS..Hα-helixtrans-70.7-39.1171.1-94.380000111.2A130 M134 Q337 K338 A339A130-L341 HydrophobicContact CB-CD2 3.72Å; M134-L341 HydrophobicContact CE-CD2 4.2Å; M134-L341 HydrophobicContact SD-CB 4.32Å; M134-L341 HydrophobicContact SD-CD2 4.15Å; Q337-L341 WeakPolarHBondContact O-CD1 3.48Å; Q337-L341 PolarHBondContact O-N 2.89Å; K338-L341 WeakPolarHBondContact O-CB 3.32Å; K338-L341 PolarHBondContact O-N 3.21Å; K338-L341 VanDerWaalsContact O-N 3.13Å; A339-L341 VanDerWaalsContact C-N 3.33Å; A339-L341 PolarHBondContact O-N 2.89Å
342H61.1Low62.2Low104 Ų104104.9 Ų104.948%0.48153%0.526SS..Hα-helixtrans-67.3-44.6178.4-111.446.9000113.5E138 K338 A339 K344E138-H342 IonicContact OE1-CE1 2.83Å; E138-H342 PolarHBondContact OE1-CE1 3.4Å; E138-H342 IonicContact OE1-ND1 3.85Å; E138-H342 IonicContact OE1-NE2 3.33Å; E138-H342 PolarHBondContact OE1-NE2 3.38Å; E138-H342 IonicContact OE2-CE1 3.12Å; E138-H342 PolarHBondContact OE2-CE1 3.18Å; E138-H342 IonicContact OE2-NE2 3.4Å; E138-H342 PolarHBondContact OE2-NE2 3.23Å; K338-H342 PolarHBondContact O-N 3.03Å; A339-H342 PolarHBondContact O-N 2.83Å; H342-K344 PolarHBondContact O-N 3.39Å
343N63.4Low62Low108 Ų108103.4 Ų103.458%0.57852%0.521SS*.THydrogen-bonded Turntrans-84.640.5-176.2-70.5-18.2000112.7A339 E345 F346A339-N343 WeakPolarHBondContact O-CB 3.36Å; A339-N343 PolarHBondContact O-N 2.96Å; N343-E345 PolarHBondContact O-N 2.67Å; N343-F346 WeakPolarHBondContact O-CD2 2.92Å
344K56.6Low62Low135 Ų135102.3 Ų102.359%0.58752%0.521SS*.  trans-68.94.1178-137.2179-175.9-178.20113.9H342 F346H342-K344 PolarHBondContact O-N 3.39Å; K344-F346 PolarHBondContact O-N 2.93Å
345E45.4Very low62.4Low155 Ų155106.9 Ų106.972%0.72454%0.54SS*.  trans-68.344.5156.3-70.5-174.3-176.100111.7R152 N343 N347R152-E345 IonicContact NH1-OE1 3.27Å; R152-E345 PolarHBondContact NH1-OE1 3.11Å; N343-E345 PolarHBondContact O-N 2.67Å; E345-N347 VanDerWaalsContact C-N 3.31Å; E345-N347 PolarHBondContact O-N 2.87Å
346F45.5Very low62.6Low146 Ų146105.8 Ų105.864%0.6454%0.54SS*.  trans-71.994.9165.3-102.4-87.7000107.8N343 K344 G348N343-F346 WeakPolarHBondContact O-CD2 2.92Å; K344-F346 PolarHBondContact O-N 2.93Å; F346-G348 VanDerWaalsContact C-N 3.35Å; F346-G348 PolarHBondContact O-N 3.03Å
347N40.8Very low62.6Low155 Ų155101.4 Ų101.483%0.82952%0.521SS*.  trans-43.593.5162-84.6-29.7000110.5E345 Q349E345-N347 VanDerWaalsContact C-N 3.31Å; E345-N347 PolarHBondContact O-N 2.87Å; N347-Q349 PolarHBondContact O-N 3.36Å
348G50.7Low63.2Low85 Ų85103.6 Ų103.688%0.87653%0.529SS*.SBendtrans48.70.8155.600000120F346 Q350F346-G348 VanDerWaalsContact C-N 3.35Å; F346-G348 PolarHBondContact O-N 3.03Å; G348-Q350 PolarHBondContact O-N 3.47Å; G348-Q350 VanDerWaalsContact O-N 3.17Å
349Q44.6Very low63.8Low158 Ų158105 Ų10574%0.73854%0.542SS*.  trans-93.385.8-175.5-136.4173.411.300105.7N347 S351N347-Q349 PolarHBondContact O-N 3.36Å; Q349-S351 PolarHBondContact O-N 2.92Å
350Q52.4Low64.2Low116 Ų116106.9 Ų106.954%0.54255%0.545SS..  trans-47.8112.1171.1-147.3-178.920.900106.9G348 W352 Q354G348-Q350 PolarHBondContact O-N 3.47Å; G348-Q350 VanDerWaalsContact O-N 3.17Å; Q350-W352 PolarHBondContact O-N 3.38Å; Q350-Q354 HydrophobicContact CG-CB 4.17Å
351S69.5Low64.5Low46 Ų46105.5 Ų105.532%0.32253%0.532SS..  trans-60.7142.9-179.367.80000107.6Q349 L353 Q354 F355Q349-S351 PolarHBondContact O-N 2.92Å; S351-L353 PolarHBondContact O-N 2.85Å; S351-Q354 WeakPolarHBondContact O-CA 3.41Å; S351-Q354 WeakPolarHBondContact O-CB 3.32Å; S351-Q354 PolarHBondContact O-N 2.7Å; S351-Q354 WeakPolarHBondContact OG-CB 3.32Å; S351-Q354 VanDerWaalsContact OG-CG 3.29Å; S351-Q354 WeakPolarHBondContact OG-CG 3.35Å; S351-Q354 PolarHBondContact OG-N 3.16Å; S351-Q354 VanDerWaalsContact OG-N 3.07Å; S351-F355 PolarHBondContact O-N 3.48Å
352W77.5Confident65.2Low198 Ų198104.8 Ų104.875%0.7553%0.53SS*.Hα-helixtrans-52-30.5176.867.7-90.8000111.1Q350 F355 V356Q350-W352 PolarHBondContact O-N 3.38Å; W352-F355 PolarHBondContact O-N 2.77Å; W352-V356 HydrophobicContact CE3-CG2 4.11Å; W352-V356 HydrophobicContact CZ3-CG2 4.44Å; W352-V356 VanDerWaalsContact O-CG2 3.27Å; W352-V356 WeakPolarHBondContact O-CG2 3.27Å; W352-V356 PolarHBondContact O-N 3.35Å
353L71.3Confident66Low95 Ų95101.6 Ų101.650%0.49753%0.526SS..Hα-helixtrans-67.6-45.5173.8-167.9146.8000112.4S351 F355 V356 L357S351-L353 PolarHBondContact O-N 2.85Å; L353-F355 VanDerWaalsContact C-N 3.28Å; L353-F355 PolarHBondContact O-N 2.89Å; L353-V356 PolarHBondContact O-N 2.91Å; L353-L357 WeakPolarHBondContact O-CB 3.26Å; L353-L357 PolarHBondContact O-N 2.86Å
354Q71.9Confident66.4Low106 Ų106100 Ų10050%0.49552%0.517SS..Hα-helixtrans-59.4-39171.9-81172.9-14.900111.9Q350 S351 L357 F358Q350-Q354 HydrophobicContact CG-CB 4.17Å; S351-Q354 WeakPolarHBondContact O-CA 3.41Å; S351-Q354 WeakPolarHBondContact O-CB 3.32Å; S351-Q354 PolarHBondContact O-N 2.7Å; S351-Q354 WeakPolarHBondContact OG-CB 3.32Å; S351-Q354 VanDerWaalsContact OG-CG 3.29Å; S351-Q354 WeakPolarHBondContact OG-CG 3.35Å; S351-Q354 PolarHBondContact OG-N 3.16Å; S351-Q354 VanDerWaalsContact OG-N 3.07Å; Q354-L357 PolarHBondContact O-N 2.93Å; Q354-F358 VanDerWaalsContact O-CB 3.25Å; Q354-F358 WeakPolarHBondContact O-CB 3.26Å; Q354-F358 PolarHBondContact O-N 3.17Å
355F79.5Confident67.3Low111 Ų11197.3 Ų97.349%0.48751%0.508SS..Hα-helixtrans-65.9-48.2175.7179.5-99.1000111.9S351 W352 L353 L357 F358 V359S351-F355 PolarHBondContact O-N 3.48Å; W352-F355 PolarHBondContact O-N 2.77Å; L353-F355 VanDerWaalsContact C-N 3.28Å; L353-F355 PolarHBondContact O-N 2.89Å; F355-L357 VanDerWaalsContact C-N 3.27Å; F355-L357 PolarHBondContact O-N 2.97Å; F355-F358 WeakPolarHBondContact O-CB 3.48Å; F355-F358 PolarHBondContact O-N 3.36Å; F355-V359 HydrophobicContact CD1-CG2 4.26Å; F355-V359 HydrophobicContact CE1-CG2 3.82Å; F355-V359 HydrophobicContact CE2-CG2 4.19Å; F355-V359 HydrophobicContact CZ-CG2 3.78Å; F355-V359 WeakPolarHBondContact O-CG2 3.38Å; F355-V359 PolarHBondContact O-N 3.27Å
356V80.6Confident68.9Low77 Ų7794.9 Ų94.947%0.46750%0.499SS..Hα-helixtrans-57.4-44175.2167.80000110.7W352 L353 V359 L360W352-V356 HydrophobicContact CE3-CG2 4.11Å; W352-V356 HydrophobicContact CZ3-CG2 4.44Å; W352-V356 VanDerWaalsContact O-CG2 3.27Å; W352-V356 WeakPolarHBondContact O-CG2 3.27Å; W352-V356 PolarHBondContact O-N 3.35Å; L353-V356 PolarHBondContact O-N 2.91Å; V356-V359 PolarHBondContact O-N 2.97Å; V356-L360 VanDerWaalsContact O-CB 3.3Å; V356-L360 WeakPolarHBondContact O-CB 3.22Å; V356-L360 PolarHBondContact O-N 2.9Å
357L72.7Confident70.3Confident36 Ų3690.8 Ų90.819%0.18849%0.489CS..Hα-helixtrans-64.7-42.1178.2-167.8118.3000111.9H119 L123 L353 Q354 F355 L360 I361H119-L357 WeakPolarHBondContact NE2-CD1 3.48Å; L123-L357 HydrophobicContact CD1-CD1 4.01Å; L123-L357 HydrophobicContact CD1-CD2 3.74Å; L123-L357 HydrophobicContact CD1-CG 4.18Å; L123-L357 HydrophobicContact CD2-CD1 3.7Å; L123-L357 HydrophobicContact CD2-CD2 3.79Å; L123-L357 HydrophobicContact CD2-CG 4.36Å; L123-L357 HydrophobicContact CG-CD1 4.37Å; L123-L357 HydrophobicContact CG-CD2 4.41Å; L353-L357 WeakPolarHBondContact O-CB 3.26Å; L353-L357 PolarHBondContact O-N 2.86Å; Q354-L357 PolarHBondContact O-N 2.93Å; F355-L357 VanDerWaalsContact C-N 3.27Å; F355-L357 PolarHBondContact O-N 2.97Å; L357-L360 PolarHBondContact O-N 3.47Å; L357-I361 HydrophobicContact CD2-CD1 3.59Å; L357-I361 HydrophobicContact CG-CD1 3.97Å; L357-I361 WeakPolarHBondContact O-CB 3.43Å; L357-I361 VanDerWaalsContact O-CG1 3.23Å; L357-I361 WeakPolarHBondContact O-CG1 3.42Å; L357-I361 PolarHBondContact O-N 3.31Å
358F78.2Confident71.8Confident121 Ų12186.7 Ų86.753%0.53146%0.464SS..Hα-helixtrans-62.3-45.1174.6177.2-99.5000111.5Q354 F355 I361 T362Q354-F358 VanDerWaalsContact O-CB 3.25Å; Q354-F358 WeakPolarHBondContact O-CB 3.26Å; Q354-F358 PolarHBondContact O-N 3.17Å; F355-F358 WeakPolarHBondContact O-CB 3.48Å; F355-F358 PolarHBondContact O-N 3.36Å; F358-I361 PolarHBondContact O-N 3.48Å; F358-T362 WeakPolarHBondContact O-CB 3.23Å; F358-T362 PolarHBondContact O-N 2.99Å; F358-T362 PolarHBondContact O-OG1 3.03Å
359V81.2Confident73.1Confident77 Ų7788.3 Ų88.347%0.46745%0.447SS..Hα-helixtrans-62.3-43.8175.4171.20000110.8F355 V356 T362 G363F355-V359 HydrophobicContact CD1-CG2 4.26Å; F355-V359 HydrophobicContact CE1-CG2 3.82Å; F355-V359 HydrophobicContact CE2-CG2 4.19Å; F355-V359 HydrophobicContact CZ-CG2 3.78Å; F355-V359 WeakPolarHBondContact O-CG2 3.38Å; F355-V359 PolarHBondContact O-N 3.27Å; V356-V359 PolarHBondContact O-N 2.97Å; V359-T362 PolarHBondContact O-N 3.29Å; V359-G363 PolarHBondContact O-N 3.41Å
360L77.7Confident74.9Confident88 Ų8882.6 Ų82.646%0.46142%0.423SS..Hα-helixtrans-62.8-49.8178.1-174.9155000111.4V356 L357 T362 G363 L364V356-L360 VanDerWaalsContact O-CB 3.3Å; V356-L360 WeakPolarHBondContact O-CB 3.22Å; V356-L360 PolarHBondContact O-N 2.9Å; L357-L360 PolarHBondContact O-N 3.47Å; L360-T362 PolarHBondContact O-N 3.14Å; L360-G363 PolarHBondContact O-N 2.94Å; L360-L364 HydrophobicContact CD2-CD1 3.65Å; L360-L364 HydrophobicContact CD2-CG 4.23Å; L360-L364 WeakPolarHBondContact O-CG 3.43Å; L360-L364 PolarHBondContact O-N 3.39Å
361I73Confident75.9Confident36 Ų3680.1 Ų80.119%0.18542%0.418CS..Hα-helixtrans-62.2-44.8178.2-69.7168.4000110.4L123 L357 F358 G363 L364 I365L123-I361 HydrophobicContact CD1-CD1 3.99Å; L357-I361 HydrophobicContact CD2-CD1 3.59Å; L357-I361 HydrophobicContact CG-CD1 3.97Å; L357-I361 WeakPolarHBondContact O-CB 3.43Å; L357-I361 VanDerWaalsContact O-CG1 3.23Å; L357-I361 WeakPolarHBondContact O-CG1 3.42Å; L357-I361 PolarHBondContact O-N 3.31Å; F358-I361 PolarHBondContact O-N 3.48Å; I361-G363 VanDerWaalsContact C-N 3.32Å; I361-G363 PolarHBondContact O-N 2.92Å; I361-L364 PolarHBondContact O-N 2.68Å; I361-I365 HydrophobicContact CG2-CD1 3.73Å; I361-I365 HydrophobicContact CG2-CG1 4.37Å; I361-I365 VanDerWaalsContact O-CG1 3.31Å; I361-I365 WeakPolarHBondContact O-CG1 3.14Å; I361-I365 PolarHBondContact O-N 2.86Å
362T75.7Confident76.3Confident48 Ų4880.9 Ų80.929%0.29442%0.418SS..Hα-helixtrans-61.4-42.4177.1-58.10000110.7F358 V359 L360 I365 L366F358-T362 WeakPolarHBondContact O-CB 3.23Å; F358-T362 PolarHBondContact O-N 2.99Å; F358-T362 PolarHBondContact O-OG1 3.03Å; V359-T362 PolarHBondContact O-N 3.29Å; L360-T362 PolarHBondContact O-N 3.14Å; T362-I365 PolarHBondContact O-N 3.44Å; T362-L366 HydrophobicContact CG2-CD1 3.96Å; T362-L366 HydrophobicContact CG2-CG 4.37Å; T362-L366 WeakPolarHBondContact O-CB 3.19Å; T362-L366 VanDerWaalsContact O-CG 3.26Å; T362-L366 WeakPolarHBondContact O-CG 3.44Å; T362-L366 PolarHBondContact O-N 2.88Å
363G78.4Confident76.5Confident37 Ų3773.7 Ų73.738%0.38139%0.394SS..Hα-helixtrans-60.5-43.7174.500000112.7V359 L360 I361 L366 S367V359-G363 PolarHBondContact O-N 3.41Å; L360-G363 PolarHBondContact O-N 2.94Å; I361-G363 VanDerWaalsContact C-N 3.32Å; I361-G363 PolarHBondContact O-N 2.92Å; G363-L366 PolarHBondContact O-N 3.2Å; G363-S367 WeakPolarHBondContact O-CB 3.42Å; G363-S367 PolarHBondContact O-N 2.68Å; G363-S367 PolarHBondContact O-OG 3.05Å
364L72Confident76.9Confident75 Ų7570.1 Ų70.139%0.39338%0.375SS..Hα-helixtrans-62.8-47.2174.9-70.6177.6000111.7L360 I361 L366 S367 F368L360-L364 HydrophobicContact CD2-CD1 3.65Å; L360-L364 HydrophobicContact CD2-CG 4.23Å; L360-L364 WeakPolarHBondContact O-CG 3.43Å; L360-L364 PolarHBondContact O-N 3.39Å; I361-L364 PolarHBondContact O-N 2.68Å; L364-L366 PolarHBondContact O-N 3.41Å; L364-S367 PolarHBondContact O-N 2.87Å; L364-S367 PolarHBondContact O-OG 3.25Å; L364-F368 WeakPolarHBondContact O-CB 3.24Å; L364-F368 PolarHBondContact O-N 2.77Å
365I74Confident77.1Confident77 Ų7768 Ų6840%0.39538%0.375SS..Hα-helixtrans-59.9-46.1177.4-69.3168.8000110.8I361 T362 F368 F369I361-I365 HydrophobicContact CG2-CD1 3.73Å; I361-I365 HydrophobicContact CG2-CG1 4.37Å; I361-I365 VanDerWaalsContact O-CG1 3.31Å; I361-I365 WeakPolarHBondContact O-CG1 3.14Å; I361-I365 PolarHBondContact O-N 2.86Å; T362-I365 PolarHBondContact O-N 3.44Å; I365-F368 WeakPolarHBondContact O-CB 3.26Å; I365-F368 PolarHBondContact O-N 2.83Å; I365-F369 HydrophobicContact CG2-CD2 3.69Å; I365-F369 HydrophobicContact CG2-CE2 3.4Å; I365-F369 WeakPolarHBondContact O-CD2 3.14Å; I365-F369 PolarHBondContact O-N 3.42Å
366L79.7Confident77.3Confident105 Ų10565.1 Ų65.155%0.5536%0.364SS..Hα-helixtrans-62.3-43.8176.7-73.4170.7000111.7T362 G363 L364 F368 F369 V370T362-L366 HydrophobicContact CG2-CD1 3.96Å; T362-L366 HydrophobicContact CG2-CG 4.37Å; T362-L366 WeakPolarHBondContact O-CB 3.19Å; T362-L366 VanDerWaalsContact O-CG 3.26Å; T362-L366 WeakPolarHBondContact O-CG 3.44Å; T362-L366 PolarHBondContact O-N 2.88Å; G363-L366 PolarHBondContact O-N 3.2Å; L364-L366 PolarHBondContact O-N 3.41Å; L366-F368 VanDerWaalsContact C-N 3.25Å; L366-F368 PolarHBondContact O-N 3.08Å; L366-F369 PolarHBondContact O-N 3.34Å; L366-V370 VanDerWaalsContact O-CG2 3.32Å; L366-V370 WeakPolarHBondContact O-CG2 3.1Å; L366-V370 PolarHBondContact O-N 2.88Å
367S74.2Confident77.3Confident60 Ų6061.4 Ų61.442%0.4234%0.342SS..Hα-helixtrans-62.2-34176.677.50000112.6G363 L364 S371G363-S367 WeakPolarHBondContact O-CB 3.42Å; G363-S367 PolarHBondContact O-N 2.68Å; G363-S367 PolarHBondContact O-OG 3.05Å; L364-S367 PolarHBondContact O-N 2.87Å; L364-S367 PolarHBondContact O-OG 3.25Å; S367-S371 WeakPolarHBondContact O-CB 3.5Å; S367-S371 PolarHBondContact O-N 3.03Å; S367-S371 PolarHBondContact O-OG 3.39Å
368F73.9Confident77.6Confident68 Ų6863.1 Ų63.130%0.29835%0.346SS..Hα-helixtrans-67.7-46.5174.6176.5-102.7000111.5C112 L364 I365 L366 V370 S371 I372C112-F368 HydrophobicContact CB-CE2 4.09Å; C112-F368 HydrophobicContact CB-CZ 4.32Å; L364-F368 WeakPolarHBondContact O-CB 3.24Å; L364-F368 PolarHBondContact O-N 2.77Å; I365-F368 WeakPolarHBondContact O-CB 3.26Å; I365-F368 PolarHBondContact O-N 2.83Å; L366-F368 VanDerWaalsContact C-N 3.25Å; L366-F368 PolarHBondContact O-N 3.08Å; F368-V370 VanDerWaalsContact C-N 3.34Å; F368-V370 PolarHBondContact O-N 3.4Å; F368-S371 WeakPolarHBondContact O-CB 3.35Å; F368-S371 PolarHBondContact O-N 2.9Å; F368-S371 VanDerWaalsContact O-N 3.1Å; F368-I372 HydrophobicContact CD1-CD1 3.86Å; F368-I372 HydrophobicContact CE1-CD1 3.33Å; F368-I372 HydrophobicContact CE1-CG1 4.29Å; F368-I372 HydrophobicContact CE2-CD1 4.44Å; F368-I372 HydrophobicContact CZ-CD1 3.67Å; F368-I372 HydrophobicContact CZ-CG1 4.29Å; F368-I372 PolarHBondContact O-N 2.9Å
369F77.6Confident77.7Confident120 Ų12059.1 Ų59.153%0.52633%0.333SS..Hα-helixtrans-59.8-43.3174.2-79.1-65.1000112.3I365 L366 S371 I372 I373I365-F369 HydrophobicContact CG2-CD2 3.69Å; I365-F369 HydrophobicContact CG2-CE2 3.4Å; I365-F369 WeakPolarHBondContact O-CD2 3.14Å; I365-F369 PolarHBondContact O-N 3.42Å; L366-F369 PolarHBondContact O-N 3.34Å; F369-S371 VanDerWaalsContact C-N 3.28Å; F369-S371 PolarHBondContact O-N 2.66Å; F369-I372 PolarHBondContact O-N 3.4Å; F369-I373 WeakPolarHBondContact O-CG1 3.29Å; F369-I373 PolarHBondContact O-N 3.07Å
370V81.2Confident77.7Confident38 Ų3857 Ų5723%0.2332%0.317CS..Hα-helixtrans-61-39.4174.3170.10000111.1L366 F368 I373 H374L366-V370 VanDerWaalsContact O-CG2 3.32Å; L366-V370 WeakPolarHBondContact O-CG2 3.1Å; L366-V370 PolarHBondContact O-N 2.88Å; F368-V370 VanDerWaalsContact C-N 3.34Å; F368-V370 PolarHBondContact O-N 3.4Å; V370-I373 PolarHBondContact O-N 2.79Å; V370-H374 WeakPolarHBondContact CG1-CE1 3.27Å; V370-H374 VanDerWaalsContact O-CG 3.28Å; V370-H374 PolarHBondContact O-N 3.29Å; V370-H374 PolarHBondContact O-ND1 3.26Å
371S74.9Confident77.9Confident64 Ų6453.4 Ų53.445%0.44830%0.297SS..Hα-helixtrans-65-38.6176.3-60.70000112.5S367 F368 F369 H374 A375S367-S371 WeakPolarHBondContact O-CB 3.5Å; S367-S371 PolarHBondContact O-N 3.03Å; S367-S371 PolarHBondContact O-OG 3.39Å; F368-S371 WeakPolarHBondContact O-CB 3.35Å; F368-S371 PolarHBondContact O-N 2.9Å; F368-S371 VanDerWaalsContact O-N 3.1Å; F369-S371 VanDerWaalsContact C-N 3.28Å; F369-S371 PolarHBondContact O-N 2.66Å; S371-H374 PolarHBondContact O-N 3.39Å; S371-A375 WeakPolarHBondContact O-CB 2.96Å; S371-A375 PolarHBondContact O-N 3.31Å
372I78.3Confident78.3Confident62 Ų6257 Ų5732%0.31831%0.309SS..Hα-helixtrans-62-45.2172.6-70.1169.7000110.7F368 F369 H374 A375 L376F368-I372 HydrophobicContact CD1-CD1 3.86Å; F368-I372 HydrophobicContact CE1-CD1 3.33Å; F368-I372 HydrophobicContact CE1-CG1 4.29Å; F368-I372 HydrophobicContact CE2-CD1 4.44Å; F368-I372 HydrophobicContact CZ-CD1 3.67Å; F368-I372 HydrophobicContact CZ-CG1 4.29Å; F368-I372 PolarHBondContact O-N 2.9Å; F369-I372 PolarHBondContact O-N 3.4Å; I372-H374 PolarHBondContact O-N 2.9Å; I372-A375 PolarHBondContact O-N 2.92Å; I372-L376 HydrophobicContact CG2-CD1 3.79Å; I372-L376 WeakPolarHBondContact O-CB 3.08Å; I372-L376 PolarHBondContact O-N 2.9Å
373I81Confident78.6Confident46 Ų4656.6 Ų56.624%0.23630%0.302CS..Hα-helixtrans-59.3-48.4178.1-67.4166.5000110.2T40 F44 F369 V370 A375 L376 A377T40-I373 HydrophobicContact CG2-CG2 4.31Å; F44-I373 HydrophobicContact CB-CG2 4.22Å; F44-I373 HydrophobicContact CD2-CB 4.21Å; F44-I373 HydrophobicContact CD2-CG1 4.13Å; F44-I373 HydrophobicContact CD2-CG2 4.2Å; F44-I373 HydrophobicContact CE2-CG1 3.98Å; F44-I373 HydrophobicContact CG-CG2 4.2Å; F44-I373 HydrophobicContact CZ-CG1 4.35Å; F369-I373 WeakPolarHBondContact O-CG1 3.29Å; F369-I373 PolarHBondContact O-N 3.07Å; V370-I373 PolarHBondContact O-N 2.79Å; I373-A375 PolarHBondContact O-N 2.71Å; I373-L376 PolarHBondContact O-N 3.31Å; I373-A377 VanDerWaalsContact O-CB 3.3Å; I373-A377 WeakPolarHBondContact O-CB 3.14Å; I373-A377 PolarHBondContact O-N 3.48Å
374H79.6Confident79Confident21 Ų2157.2 Ų57.210%0.09730%0.296CS..Hα-helixtrans-59.8-45.6176.3-66156.7000112.4F32 L33 V370 S371 I372 L376 A377 R378F32-H374 AromaticContact CD1-CE1 3.99Å; L33-H374 WeakPolarHBondContact CB-NE2 3.46Å; L33-H374 PolarHBondContact N-NE2 3.22Å; V370-H374 WeakPolarHBondContact CG1-CE1 3.27Å; V370-H374 VanDerWaalsContact O-CG 3.28Å; V370-H374 PolarHBondContact O-N 3.29Å; V370-H374 PolarHBondContact O-ND1 3.26Å; S371-H374 PolarHBondContact O-N 3.39Å; I372-H374 PolarHBondContact O-N 2.9Å; H374-L376 PolarHBondContact O-N 2.85Å; H374-A377 PolarHBondContact O-N 2.85Å; H374-R378 WeakPolarHBondContact O-CB 3.23Å; H374-R378 VanDerWaalsContact O-CG 3.32Å; H374-R378 WeakPolarHBondContact O-CG 3.49Å; H374-R378 PolarHBondContact O-N 3.06Å
375A76.9Confident79.5Confident60 Ų6054.1 Ų54.150%0.49628%0.28SS..Hα-helixtrans-62.6-44.4-178.600000112.1S371 I372 I373 R378 S379S371-A375 WeakPolarHBondContact O-CB 2.96Å; S371-A375 PolarHBondContact O-N 3.31Å; I372-A375 PolarHBondContact O-N 2.92Å; I373-A375 PolarHBondContact O-N 2.71Å; A375-R378 PolarHBondContact O-N 3.07Å; A375-S379 PolarHBondContact O-N 3.11Å
376L81.8Confident79.9Confident51 Ų5155 Ų5527%0.26728%0.283SS..Hα-helixtrans-70.8-38.6178.6-77.3170.1000112.4F44 E47 I372 I373 H374 R378 S379 Y380F44-L376 HydrophobicContact CD2-CB 3.69Å; F44-L376 HydrophobicContact CD2-CD1 3.85Å; F44-L376 HydrophobicContact CD2-CG 4.43Å; F44-L376 HydrophobicContact CE2-CB 4.23Å; F44-L376 HydrophobicContact CE2-CD1 3.48Å; F44-L376 VanDerWaalsContact CE2-CD1 3.48Å; F44-L376 HydrophobicContact CE2-CG 4.49Å; E47-L376 HydrophobicContact CG-CD2 4.07Å; I372-L376 HydrophobicContact CG2-CD1 3.79Å; I372-L376 WeakPolarHBondContact O-CB 3.08Å; I372-L376 PolarHBondContact O-N 2.9Å; I373-L376 PolarHBondContact O-N 3.31Å; H374-L376 PolarHBondContact O-N 2.85Å; L376-R378 VanDerWaalsContact C-N 3.34Å; L376-R378 PolarHBondContact O-N 2.89Å; L376-S379 WeakPolarHBondContact O-CB 3.18Å; L376-S379 PolarHBondContact O-N 3.32Å; L376-Y380 PolarHBondContact O-N 3.36Å
377A81.5Confident80.2Confident0 Ų055.2 Ų55.20%028%0.276CS..Hα-helixtrans-60.8-42.817300000112T40 F44 I373 H374 Y380 H381T40-A377 HydrophobicContact CG2-CB 3.75Å; T40-A377 WeakPolarHBondContact O-CB 3.31Å; F44-A377 HydrophobicContact CB-CB 4.39Å; I373-A377 VanDerWaalsContact O-CB 3.3Å; I373-A377 WeakPolarHBondContact O-CB 3.14Å; I373-A377 PolarHBondContact O-N 3.48Å; H374-A377 PolarHBondContact O-N 2.85Å; A377-Y380 WeakPolarHBondContact O-CB 3.25Å; A377-Y380 PolarHBondContact O-N 2.78Å; A377-H381 PolarHBondContact O-N 2.81Å; A377-H381 VanDerWaalsContact O-N 3.13Å
378R79.8Confident80.7Confident72 Ų7259.2 Ų59.227%0.27228%0.282SS..Hα-helixtrans-66.1-37.3174.5-72176.9-175.3173.81.5112.5Q28 L31 H374 A375 L376 Y380 H381 R382Q28-R378 HydrophobicContact CB-CG 4.43Å; Q28-R378 PolarHBondContact O-NE 3.39Å; L31-R378 HydrophobicContact CB-CG 4.41Å; L31-R378 HydrophobicContact CD1-CG 4.47Å; H374-R378 WeakPolarHBondContact O-CB 3.23Å; H374-R378 VanDerWaalsContact O-CG 3.32Å; H374-R378 WeakPolarHBondContact O-CG 3.49Å; H374-R378 PolarHBondContact O-N 3.06Å; A375-R378 PolarHBondContact O-N 3.07Å; L376-R378 VanDerWaalsContact C-N 3.34Å; L376-R378 PolarHBondContact O-N 2.89Å; R378-Y380 VanDerWaalsContact C-N 3.33Å; R378-Y380 PolarHBondContact O-N 2.73Å; R378-H381 PolarHBondContact O-N 2.71Å; R378-R382 PolarHBondContact O-N 3.46Å
379S78.8Confident81Confident36 Ų3659.7 Ų59.725%0.25228%0.282SS..Hα-helixtrans-58.9-44.4174179.90000111.3E47 A375 L376 R382 R383E47-S379 PolarHBondContact OE1-OG 3.44Å; A375-S379 PolarHBondContact O-N 3.11Å; L376-S379 WeakPolarHBondContact O-CB 3.18Å; L376-S379 PolarHBondContact O-N 3.32Å; S379-R382 PolarHBondContact O-N 3.35Å; S379-R383 PolarHBondContact O-N 2.85Å; S379-R383 VanDerWaalsContact O-N 3.11Å
380Y82.4Confident81.2Confident33 Ų3359.3 Ų59.313%0.12929%0.285CS..Hα-helixtrans-61.3-48.3176-166.9-106.3000112.1Y43 L46 E47 L376 A377 R378 R382 R383 L384Y43-Y380 AromaticContact CD1-CD1 3.61Å; Y43-Y380 HydrophobicContact CD1-CD1 3.61Å; Y43-Y380 AromaticContact CD1-CE1 3.92Å; Y43-Y380 HydrophobicContact CD1-CE1 3.92Å; Y43-Y380 HydrophobicContact CE1-CD1 4.24Å; Y43-Y380 HydrophobicContact CE1-CE1 4.29Å; Y43-Y380 AromaticContact CG-CD1 3.79Å; Y43-Y380 HydrophobicContact CG-CD1 3.79Å; Y43-Y380 WeakPolarHBondContact O-CB 3.4Å; L46-Y380 HydrophobicContact CB-CD1 4.34Å; L46-Y380 HydrophobicContact CB-CD2 3.87Å; L46-Y380 HydrophobicContact CB-CE1 4Å; L46-Y380 HydrophobicContact CB-CE2 3.5Å; L46-Y380 HydrophobicContact CB-CG 4.28Å; L46-Y380 HydrophobicContact CD1-CD1 4.42Å; L46-Y380 HydrophobicContact CD1-CE1 3.59Å; L46-Y380 HydrophobicContact CD1-CE2 4.38Å; L46-Y380 HydrophobicContact CG-CE1 4.48Å; E47-Y380 HydrophobicContact CB-CD2 4.09Å; E47-Y380 HydrophobicContact CB-CG 4.46Å; E47-Y380 WeakPolarHBondContact OE2-CA 3.45Å; E47-Y380 WeakPolarHBondContact OE2-CD2 3.14Å; L376-Y380 PolarHBondContact O-N 3.36Å; A377-Y380 WeakPolarHBondContact O-CB 3.25Å; A377-Y380 PolarHBondContact O-N 2.78Å; R378-Y380 VanDerWaalsContact C-N 3.33Å; R378-Y380 PolarHBondContact O-N 2.73Å; Y380-R382 VanDerWaalsContact C-N 3.31Å; Y380-R382 PolarHBondContact O-N 2.83Å; Y380-R383 WeakPolarHBondContact O-CB 3.33Å; Y380-R383 PolarHBondContact O-N 3.29Å; Y380-R383 VanDerWaalsContact O-N 3.12Å; Y380-L384 PolarHBondContact O-N 2.92Å
381H82.2Confident81.3Confident13 Ų1359.8 Ų59.86%0.0629%0.293CS..Hα-helixtrans-60.9-42.1-179178.588000111.5E27 Q28 L31 Y43 A377 R378 R383 L384 C385E27-H381 IonicContact OE2-CE1 2.79Å; E27-H381 PolarHBondContact OE2-CE1 3.25Å; E27-H381 IonicContact OE2-NE2 2.67Å; Q28-H381 WeakPolarHBondContact CG-CD2 3.22Å; L31-H381 HydrophobicContact CD1-CB 3.54Å; Y43-H381 HydrophobicContact CD2-CB 4.31Å; Y43-H381 HydrophobicContact CE2-CB 4.35Å; A377-H381 PolarHBondContact O-N 2.81Å; A377-H381 VanDerWaalsContact O-N 3.13Å; R378-H381 PolarHBondContact O-N 2.71Å; H381-R383 VanDerWaalsContact C-N 3.33Å; H381-R383 PolarHBondContact O-N 3.4Å; H381-L384 WeakPolarHBondContact O-CB 3.35Å; H381-L384 PolarHBondContact O-N 2.57Å; H381-C385 PolarHBondContact O-N 3.11Å; H381-C385 PolarHBondContact O-SG 3.06Å
382R80.5Confident81.7Confident111 Ų11161.4 Ų61.442%0.41929%0.294SS..Hα-helixtrans-57.3-46.3173.4-175.1-175.8-64.1-162.4-2.1111.8S202 R378 S379 Y380 L384 C385 E386S202-R382 PolarHBondContact OG-NH1 2.97Å; R378-R382 PolarHBondContact O-N 3.46Å; S379-R382 PolarHBondContact O-N 3.35Å; Y380-R382 VanDerWaalsContact C-N 3.31Å; Y380-R382 PolarHBondContact O-N 2.83Å; R382-L384 VanDerWaalsContact C-N 3.31Å; R382-L384 PolarHBondContact O-N 2.75Å; R382-C385 WeakPolarHBondContact O-CB 3.46Å; R382-C385 PolarHBondContact O-N 3.03Å; R382-E386 WeakPolarHBondContact O-CG 3.35Å; R382-E386 PolarHBondContact O-N 3.03Å
383R82.5Confident81.6Confident39 Ų3960.3 Ų60.315%0.14730%0.298CS..Hα-helixtrans-61.5-40.5177.3-175.4-176.1-52.4-67.8-1.2112E47 R51 S379 Y380 H381 C385 E386 W387E47-R383 IonicContact OE1-CZ 3.03Å; E47-R383 IonicContact OE1-NE 2.86Å; E47-R383 IonicContact OE1-NH2 2.68Å; E47-R383 PolarHBondContact OE1-NH2 2.76Å; E47-R383 IonicContact OE2-NE 3.92Å; E47-R383 PolarHBondContact OE2-NE 3.09Å; E47-R383 IonicContact OE2-NH2 3.34Å; R51-R383 VanDerWaalsContact CZ-NH2 3.35Å; R51-R383 VanDerWaalsContact NH2-NH2 3.11Å; S379-R383 PolarHBondContact O-N 2.85Å; S379-R383 VanDerWaalsContact O-N 3.11Å; Y380-R383 WeakPolarHBondContact O-CB 3.33Å; Y380-R383 PolarHBondContact O-N 3.29Å; Y380-R383 VanDerWaalsContact O-N 3.12Å; H381-R383 VanDerWaalsContact C-N 3.33Å; H381-R383 PolarHBondContact O-N 3.4Å; R383-C385 VanDerWaalsContact C-N 3.34Å; R383-C385 PolarHBondContact O-N 3.15Å; R383-E386 PolarHBondContact O-N 3.43Å; R383-W387 HydrophobicContact CG-CD2 3.95Å; R383-W387 HydrophobicContact CG-CE3 4.19Å; R383-W387 HydrophobicContact CG-CH2 3.88Å; R383-W387 HydrophobicContact CG-CZ2 3.6Å; R383-W387 HydrophobicContact CG-CZ3 4.15Å; R383-W387 PolarHBondContact O-N 3.4Å
384L86Confident81.2Confident51 Ų5164 Ų6427%0.26731%0.314SS..Hα-helixtrans-62.5-41.2176.2-174.864.3000111.6Y380 H381 R382 W387 R388Y380-L384 PolarHBondContact O-N 2.92Å; H381-L384 WeakPolarHBondContact O-CB 3.35Å; H381-L384 PolarHBondContact O-N 2.57Å; R382-L384 VanDerWaalsContact C-N 3.31Å; R382-L384 PolarHBondContact O-N 2.75Å; L384-W387 HydrophobicContact CD1-CE3 4.5Å; L384-W387 PolarHBondContact O-N 3.48Å; L384-R388 WeakPolarHBondContact O-CB 3.45Å; L384-R388 PolarHBondContact O-N 3.3Å
385C83.1Confident80.7Confident9 Ų967.6 Ų67.66%0.06133%0.333CS..Hα-helixtrans-62.8-43.6173.5-640000111.9E24 H381 R382 R383 R388 R389E24-C385 HydrophobicContact CG-CB 4.25Å; H381-C385 PolarHBondContact O-N 3.11Å; H381-C385 PolarHBondContact O-SG 3.06Å; R382-C385 WeakPolarHBondContact O-CB 3.46Å; R382-C385 PolarHBondContact O-N 3.03Å; R383-C385 VanDerWaalsContact C-N 3.34Å; R383-C385 PolarHBondContact O-N 3.15Å; C385-R388 PolarHBondContact O-N 3.44Å; C385-R389 WeakPolarHBondContact O-CG 3.31Å; C385-R389 PolarHBondContact O-N 3.29Å
386E82.5Confident80.1Confident96 Ų9671.1 Ų71.145%0.44934%0.339SS..Hα-helixtrans-60.4-45.9175.5-72.8171.7-172.800112R382 R383 R388 R389 L390R382-E386 WeakPolarHBondContact O-CG 3.35Å; R382-E386 PolarHBondContact O-N 3.03Å; R383-E386 PolarHBondContact O-N 3.43Å; E386-R388 VanDerWaalsContact C-N 3.34Å; E386-R388 PolarHBondContact O-N 3.16Å; E386-R389 PolarHBondContact O-N 3.3Å; E386-L390 WeakPolarHBondContact O-CG 3.34Å; E386-L390 PolarHBondContact O-N 3.42Å
387W84.6Confident79.2Confident109 Ų10972.4 Ų72.441%0.41335%0.352SS..Hα-helixtrans-63.4-38.9175.9-69.6-24.1000112.8F50 R383 L384 L390 A391F50-W387 AromaticContact CD2-CH2 3.99Å; F50-W387 HydrophobicContact CD2-CH2 3.99Å; F50-W387 HydrophobicContact CD2-CZ2 4.25Å; F50-W387 AromaticContact CE2-CH2 3.94Å; F50-W387 HydrophobicContact CE2-CH2 3.94Å; F50-W387 AromaticContact CE2-CZ2 3.71Å; F50-W387 HydrophobicContact CE2-CZ2 3.71Å; F50-W387 HydrophobicContact CZ-CZ2 4.25Å; R383-W387 HydrophobicContact CG-CD2 3.95Å; R383-W387 HydrophobicContact CG-CE3 4.19Å; R383-W387 HydrophobicContact CG-CH2 3.88Å; R383-W387 HydrophobicContact CG-CZ2 3.6Å; R383-W387 HydrophobicContact CG-CZ3 4.15Å; R383-W387 PolarHBondContact O-N 3.4Å; L384-W387 HydrophobicContact CD1-CE3 4.5Å; L384-W387 PolarHBondContact O-N 3.48Å; W387-L390 PolarHBondContact O-N 2.99Å; W387-A391 WeakPolarHBondContact O-CB 3.3Å; W387-A391 PolarHBondContact O-N 2.93Å
388R84.9Confident78.2Confident144 Ų14480.3 Ų80.354%0.54339%0.386SS..Hα-helixtrans-61.6-44.3174.6-174.8179.5-67.3174.1-0.7111.2L384 C385 E386 L390 A391 E392L384-R388 WeakPolarHBondContact O-CB 3.45Å; L384-R388 PolarHBondContact O-N 3.3Å; C385-R388 PolarHBondContact O-N 3.44Å; E386-R388 VanDerWaalsContact C-N 3.34Å; E386-R388 PolarHBondContact O-N 3.16Å; R388-L390 PolarHBondContact O-N 2.94Å; R388-A391 PolarHBondContact O-N 2.86Å; R388-E392 HydrophobicContact CG-CG 4.46Å; R388-E392 VanDerWaalsContact CG-OE1 3.32Å; R388-E392 WeakPolarHBondContact CG-OE1 3.48Å; R388-E392 WeakPolarHBondContact O-CB 3.47Å; R388-E392 WeakPolarHBondContact O-CG 3.48Å; R388-E392 PolarHBondContact O-N 3.44Å
389R80.6Confident77.4Confident79 Ų7983.1 Ų83.130%0.29841%0.407SS..Hα-helixtrans-62.9-40.2176.8-70.1171.2-176.7-167.6-1.1112.7E24 H205 C385 E386 G393E24-R389 IonicContact OE1-CZ 3.28Å; E24-R389 IonicContact OE1-NE 3Å; E24-R389 PolarHBondContact OE1-NE 3.3Å; E24-R389 IonicContact OE1-NH2 3.24Å; E24-R389 PolarHBondContact OE1-NH2 3.16Å; E24-R389 IonicContact OE2-CZ 3.92Å; E24-R389 IonicContact OE2-NE 3.83Å; E24-R389 IonicContact OE2-NH2 3.74Å; E24-R389 PolarHBondContact OE2-NH2 3.22Å; H205-R389 PolarHBondContact NE2-NH1 3.05Å; H205-R389 VanDerWaalsContact NE2-NH1 3.14Å; C385-R389 WeakPolarHBondContact O-CG 3.31Å; C385-R389 PolarHBondContact O-N 3.29Å; E386-R389 PolarHBondContact O-N 3.3Å; R389-G393 PolarHBondContact O-N 3.47Å
390L83.1Confident76Confident111 Ų11192.2 Ų92.258%0.58145%0.445SS*.Hα-helixtrans-65-43.7176.3-70.9172.1000111.2E386 W387 R388 G393 E394E386-L390 WeakPolarHBondContact O-CG 3.34Å; E386-L390 PolarHBondContact O-N 3.42Å; W387-L390 PolarHBondContact O-N 2.99Å; R388-L390 PolarHBondContact O-N 2.94Å; L390-G393 PolarHBondContact O-N 3.47Å; L390-E394 WeakPolarHBondContact O-CG 3.49Å; L390-E394 PolarHBondContact O-N 2.91Å
391A82.2Confident75.7Confident49 Ų4995.2 Ų95.241%0.40546%0.461SS..Hα-helixtrans-63.2-44.4176.300000112.3W387 R388 E394 I395W387-A391 WeakPolarHBondContact O-CB 3.3Å; W387-A391 PolarHBondContact O-N 2.93Å; R388-A391 PolarHBondContact O-N 2.86Å; A391-E394 PolarHBondContact O-N 3.47Å; A391-I395 WeakPolarHBondContact O-CD1 3.49Å; A391-I395 VanDerWaalsContact O-CG1 3.23Å; A391-I395 WeakPolarHBondContact O-CG1 3.36Å; A391-I395 PolarHBondContact O-N 3.32Å
392E83Confident75.4Confident98 Ų9899.5 Ų99.546%0.45848%0.482SS..Hα-helixtrans-64.5-39.2175.7-72.7171.5-171.500112R388 I395 H396R388-E392 HydrophobicContact CG-CG 4.46Å; R388-E392 VanDerWaalsContact CG-OE1 3.32Å; R388-E392 WeakPolarHBondContact CG-OE1 3.48Å; R388-E392 WeakPolarHBondContact O-CB 3.47Å; R388-E392 WeakPolarHBondContact O-CG 3.48Å; R388-E392 PolarHBondContact O-N 3.44Å; E392-I395 PolarHBondContact O-N 3.5Å; E392-H396 PolarHBondContact O-CD2 2.95Å; E392-H396 PolarHBondContact O-N 2.78Å
393G77.7Confident75.1Confident39 Ų3998.8 Ų98.840%0.40249%0.486SS..Hα-helixtrans-65.8-40.4175.600000113.1R389 L390 H396 S397R389-G393 PolarHBondContact O-N 3.47Å; L390-G393 PolarHBondContact O-N 3.47Å; G393-H396 PolarHBondContact O-N 3.25Å; G393-S397 PolarHBondContact O-N 3.3Å; G393-S397 PolarHBondContact O-OG 3.48Å
394E70.8Confident74.7Confident122 Ų122102.4 Ų102.457%0.5751%0.505SS*.Hα-helixtrans-65-38.1174.5-78.1-178.1-170.800112.2L390 A391 S397 K398L390-E394 WeakPolarHBondContact O-CG 3.49Å; L390-E394 PolarHBondContact O-N 2.91Å; A391-E394 PolarHBondContact O-N 3.47Å; E394-S397 WeakPolarHBondContact CA-OG 3.49Å; E394-S397 PolarHBondContact O-N 2.94Å; E394-S397 PolarHBondContact O-OG 3.49Å; E394-K398 PolarHBondContact O-N 2.99Å
395I69.9Low74Confident98 Ų98105.6 Ų105.650%0.50352%0.52SS..Hα-helixtrans-63.3-49.7175-67.2162.5000110A391 E392 S397 K398 D399A391-I395 WeakPolarHBondContact O-CD1 3.49Å; A391-I395 VanDerWaalsContact O-CG1 3.23Å; A391-I395 WeakPolarHBondContact O-CG1 3.36Å; A391-I395 PolarHBondContact O-N 3.32Å; E392-I395 PolarHBondContact O-N 3.5Å; I395-S397 VanDerWaalsContact C-N 3.27Å; I395-S397 PolarHBondContact O-N 2.88Å; I395-K398 PolarHBondContact O-N 3.2Å; I395-D399 PolarHBondContact O-N 3.32Å; I395-D399 VanDerWaalsContact O-N 3.16Å
396H65.1Low73.3Confident133 Ų133112 Ų11262%0.61655%0.551SS**Hα-helixtrans-60.5-34.8177.1-83.6-56.2000113.4E392 G393 K398 D399 E400E392-H396 PolarHBondContact O-CD2 2.95Å; E392-H396 PolarHBondContact O-N 2.78Å; G393-H396 PolarHBondContact O-N 3.25Å; H396-K398 VanDerWaalsContact C-N 3.27Å; H396-K398 PolarHBondContact O-N 3.33Å; H396-D399 PolarHBondContact O-N 3.34Å; H396-E400 PolarHBondContact O-N 3.31Å
397S63.1Low72.7Confident78 Ų78113.1 Ų113.155%0.54556%0.558SS.*Hα-helixtrans-72.3-15.6176710000114.8G393 E394 I395G393-S397 PolarHBondContact O-N 3.3Å; G393-S397 PolarHBondContact O-OG 3.48Å; E394-S397 WeakPolarHBondContact CA-OG 3.49Å; E394-S397 PolarHBondContact O-N 2.94Å; E394-S397 PolarHBondContact O-OG 3.49Å; I395-S397 VanDerWaalsContact C-N 3.27Å; I395-S397 PolarHBondContact O-N 2.88Å
398K60.1Low71.8Confident167 Ų167113.5 Ų113.573%0.72657%0.57SS**Hα-helixtrans-93.5-22.9175.1-76.5178.7178.81720112.9E394 I395 H396E394-K398 PolarHBondContact O-N 2.99Å; I395-K398 PolarHBondContact O-N 3.2Å; H396-K398 VanDerWaalsContact C-N 3.27Å; H396-K398 PolarHBondContact O-N 3.33Å
399D62.8Low70.7Confident130 Ų130110.9 Ų110.970%0.69557%0.572SS**Hα-helixtrans-88.9-16.9179.8-68.6-20.3000112.9I395 H396I395-D399 PolarHBondContact O-N 3.32Å; I395-D399 VanDerWaalsContact O-N 3.16Å; H396-D399 PolarHBondContact O-N 3.34Å
400E50.1Low69.8Low227 Ų227113.8 Ų113.8100%1.06160%0.597SS**  trans-86.90164.8-71.3-173168.600111.4H396H396-E400 PolarHBondContact O-N 3.31Å

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