G4VPP3_SCHMA Loading...

Ubiquitin-like modifier-activating enzyme 5

AlphaFold DB , UniProt , Accession G4VPP3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 436 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
1M50.6Low70.5Confident221 Ų221121.4 Ų121.4100%1.08964%0.643SS**  040.50-73.6-82.1-18000115
2P59.7Low71.8Confident111 Ų111117.9 Ų117.972%0.72163%0.631SS**  trans-97-6-177.713.19000115
3S59.6Low73.1Confident84 Ų84114.9 Ų114.959%0.58762%0.615SS**Hα-helixtrans-77.2-31.8-172.655.50000113.8N5 K6 S7S3-N5 PolarHBondContact O-N 2.92Å; S3-K6 PolarHBondContact O-N 3.31Å; S3-S7 PolarHBondContact O-N 3.24Å
4N61.4Low74.1Confident121 Ų121118.9 Ų118.965%0.64762%0.617SS**Hα-helixtrans-69.6-33.4-176.2-79.8-2.2000113.3S7 A8N4-S7 PolarHBondContact O-N 2.97Å; N4-A8 PolarHBondContact O-N 3.1Å; N4-A8 VanDerWaalsContact O-N 3.15Å
5N65.7Low75.1Confident131 Ų131117.1 Ų117.170%0.70161%0.608SS**Hα-helixtrans-70.9-35.5178.4-92.2-2000113.3S3 S7 L9S3-N5 PolarHBondContact O-N 2.92Å; N5-S7 VanDerWaalsContact C-N 3.34Å; N5-L9 PolarHBondContact O-N 2.91Å; N5-L9 VanDerWaalsContact O-N 3.14Å
6K73.3Confident76.1Confident152 Ų152115.3 Ų115.366%0.66160%0.599SS**Hα-helixtrans-69.1-33.8175.8-79.5-174.8177.5179.20112.2S3 R10S3-K6 PolarHBondContact O-N 3.31Å; K6-R10 VanDerWaalsContact O-CG 3.28Å; K6-R10 WeakPolarHBondContact O-CG 3.47Å; K6-R10 PolarHBondContact O-N 2.99Å
7S77.8Confident76.9Confident78 Ų78118.6 Ų118.655%0.54560%0.602SS.*Hα-helixtrans-63.9-51.1174.4169.30000111.2S3 N4 N5 L9 R10 Q11S3-S7 PolarHBondContact O-N 3.24Å; N4-S7 PolarHBondContact O-N 2.97Å; N5-S7 VanDerWaalsContact C-N 3.34Å; S7-L9 PolarHBondContact O-N 3.25Å; S7-R10 PolarHBondContact O-N 3.29Å; S7-Q11 PolarHBondContact O-N 2.71Å; S7-Q11 VanDerWaalsContact O-N 3.09Å
8A79.8Confident77.6Confident50 Ų50115.1 Ų115.141%0.41359%0.594SS.*Hα-helixtrans-59.2-47.5179.500000112.4N4 R10 Q11 T12N4-A8 PolarHBondContact O-N 3.1Å; N4-A8 VanDerWaalsContact O-N 3.15Å; A8-R10 VanDerWaalsContact C-N 3.3Å; A8-R10 PolarHBondContact O-N 3.22Å; A8-Q11 WeakPolarHBondContact O-CB 3.26Å; A8-Q11 PolarHBondContact O-N 3.23Å; A8-Q11 VanDerWaalsContact O-N 3.1Å; A8-T12 PolarHBondContact O-N 3.06Å; A8-T12 PolarHBondContact O-OG1 2.64Å; A8-T12 VanDerWaalsContact O-OG1 3.13Å
9L81Confident78.3Confident114 Ų114115.3 Ų115.360%0.59759%0.592SS**Hα-helixtrans-62.4-34.6179-118.6113.6000113.6N5 S7 N13N5-L9 PolarHBondContact O-N 2.91Å; N5-L9 VanDerWaalsContact O-N 3.14Å; S7-L9 PolarHBondContact O-N 3.25Å; L9-N13 PolarHBondContact O-N 3.18Å; L9-N13 PolarHBondContact O-ND2 3.23Å; L9-N13 VanDerWaalsContact O-ND2 3.16Å
10R82Confident79Confident178 Ų178113.7 Ų113.767%0.67258%0.584SS**Hα-helixtrans-68.3-38.5175.2-78.1175.4175.6-172.9-1.7111.2K6 S7 A8 R14K6-R10 VanDerWaalsContact O-CG 3.28Å; K6-R10 WeakPolarHBondContact O-CG 3.47Å; K6-R10 PolarHBondContact O-N 2.99Å; S7-R10 PolarHBondContact O-N 3.29Å; A8-R10 VanDerWaalsContact C-N 3.3Å; A8-R10 PolarHBondContact O-N 3.22Å; R10-R14 WeakPolarHBondContact O-CG 3.23Å; R10-R14 PolarHBondContact O-N 3.05Å; R10-R14 VanDerWaalsContact O-N 3.07Å
11Q84.9Confident79.5Confident95 Ų95112.8 Ų112.844%0.44458%0.58SS.*Hα-helixtrans-66.9-45176-169.260.93100111.3S7 A8 N13 R14 N15S7-Q11 PolarHBondContact O-N 2.71Å; S7-Q11 VanDerWaalsContact O-N 3.09Å; A8-Q11 WeakPolarHBondContact O-CB 3.26Å; A8-Q11 PolarHBondContact O-N 3.23Å; A8-Q11 VanDerWaalsContact O-N 3.1Å; Q11-N13 PolarHBondContact O-N 2.99Å; Q11-R14 PolarHBondContact O-N 3.5Å; Q11-R14 VanDerWaalsContact O-N 3.16Å; Q11-N15 PolarHBondContact NE2-OD1 3.17Å; Q11-N15 VanDerWaalsContact NE2-OD1 3.1Å; Q11-N15 PolarHBondContact O-N 3.2Å; Q11-N15 PolarHBondContact O-OD1 3.09Å
12T86.4Confident81.4Confident80 Ų80106.2 Ų106.249%0.49155%0.552SS.*Hα-helixtrans-59.3-44.6175.7-50.90000111.9A8 R14 N15 L16A8-T12 PolarHBondContact O-N 3.06Å; A8-T12 PolarHBondContact O-OG1 2.64Å; A8-T12 VanDerWaalsContact O-OG1 3.13Å; T12-R14 VanDerWaalsContact C-N 3.33Å; T12-R14 PolarHBondContact O-N 2.89Å; T12-N15 PolarHBondContact O-N 3.47Å; T12-L16 HydrophobicContact CG2-CD1 4.2Å; T12-L16 WeakPolarHBondContact O-CG 3.46Å; T12-L16 PolarHBondContact O-N 3.19Å
13N87.8Confident82.9Confident79 Ų79105.1 Ų105.142%0.42254%0.54SS..Hα-helixtrans-62.5-37.1175.9-94.4-72000113.1L9 Q11 R17L9-N13 PolarHBondContact O-N 3.18Å; L9-N13 PolarHBondContact O-ND2 3.23Å; L9-N13 VanDerWaalsContact O-ND2 3.16Å; Q11-N13 PolarHBondContact O-N 2.99Å; N13-R17 WeakPolarHBondContact O-CB 3.46Å; N13-R17 VanDerWaalsContact O-CG 3.29Å; N13-R17 WeakPolarHBondContact O-CG 3.04Å; N13-R17 PolarHBondContact O-N 2.95Å
14R87.5Confident84.4Confident171 Ų171106.9 Ų106.965%0.64554%0.537SS*.Hα-helixtrans-66-43.8174.8-77.1176.4-179.7176.2-2.7111.4R10 Q11 T12 R17 A18R10-R14 WeakPolarHBondContact O-CG 3.23Å; R10-R14 PolarHBondContact O-N 3.05Å; R10-R14 VanDerWaalsContact O-N 3.07Å; Q11-R14 PolarHBondContact O-N 3.5Å; Q11-R14 VanDerWaalsContact O-N 3.16Å; T12-R14 VanDerWaalsContact C-N 3.33Å; T12-R14 PolarHBondContact O-N 2.89Å; R14-R17 PolarHBondContact O-N 2.83Å; R14-A18 WeakPolarHBondContact O-CB 3.5Å; R14-A18 PolarHBondContact O-N 3.21Å
15N89.3Confident85.6Confident92 Ų92103.9 Ų103.949%0.49253%0.529SS..Hα-helixtrans-62.7-46.4177.7-67.41.1000111.3Q11 T12 R17 A18 E19Q11-N15 PolarHBondContact NE2-OD1 3.17Å; Q11-N15 VanDerWaalsContact NE2-OD1 3.1Å; Q11-N15 PolarHBondContact O-N 3.2Å; Q11-N15 PolarHBondContact O-OD1 3.09Å; T12-N15 PolarHBondContact O-N 3.47Å; N15-R17 VanDerWaalsContact C-N 3.35Å; N15-R17 PolarHBondContact O-N 3.22Å; N15-A18 PolarHBondContact O-N 3.43Å; N15-E19 WeakPolarHBondContact O-CB 3.41Å; N15-E19 PolarHBondContact O-N 3.49Å
16L90.7Very high86.8Confident87 Ų87101.8 Ų101.846%0.45552%0.515SS..Hα-helixtrans-62.3-39.4177.1-74171.7000112.5T12 E19 I20T12-L16 HydrophobicContact CG2-CD1 4.2Å; T12-L16 WeakPolarHBondContact O-CG 3.46Å; T12-L16 PolarHBondContact O-N 3.19Å; L16-E19 PolarHBondContact O-N 2.91Å; L16-I20 WeakPolarHBondContact O-CB 3.48Å; L16-I20 VanDerWaalsContact O-CG1 3.24Å; L16-I20 WeakPolarHBondContact O-CG1 3.42Å; L16-I20 PolarHBondContact O-N 2.98Å
17R89.9Confident87.5Confident172 Ų17298.9 Ų98.965%0.64951%0.506SS*.Hα-helixtrans-64.2-44174.5-75.9176.7-178.4-175.3-1.3111.7N13 R14 N15 E19 I20 D21N13-R17 WeakPolarHBondContact O-CB 3.46Å; N13-R17 VanDerWaalsContact O-CG 3.29Å; N13-R17 WeakPolarHBondContact O-CG 3.04Å; N13-R17 PolarHBondContact O-N 2.95Å; R14-R17 PolarHBondContact O-N 2.83Å; N15-R17 VanDerWaalsContact C-N 3.35Å; N15-R17 PolarHBondContact O-N 3.22Å; R17-E19 VanDerWaalsContact C-N 3.32Å; R17-E19 PolarHBondContact O-N 2.88Å; R17-I20 PolarHBondContact O-N 3.3Å; R17-D21 WeakPolarHBondContact O-CB 3.31Å; R17-D21 VanDerWaalsContact O-CG 3.24Å; R17-D21 PolarHBondContact O-N 2.84Å
18A89.3Confident87.7Confident56 Ų5699.1 Ų99.146%0.46350%0.504SS..Hα-helixtrans-61.3-41.117600000111.8R14 N15 D21 V22R14-A18 WeakPolarHBondContact O-CB 3.5Å; R14-A18 PolarHBondContact O-N 3.21Å; N15-A18 PolarHBondContact O-N 3.43Å; A18-D21 PolarHBondContact O-N 2.91Å; A18-V22 WeakPolarHBondContact O-CG2 3.29Å; A18-V22 PolarHBondContact O-N 3.06Å
19E91.2Very high87.8Confident118 Ų118102.4 Ų102.455%0.55151%0.51SS*.Hα-helixtrans-66.5-42176.4-168.8173-17000112.2N15 L16 R17 D21 V22 L23N15-E19 WeakPolarHBondContact O-CB 3.41Å; N15-E19 PolarHBondContact O-N 3.49Å; L16-E19 PolarHBondContact O-N 2.91Å; R17-E19 VanDerWaalsContact C-N 3.32Å; R17-E19 PolarHBondContact O-N 2.88Å; E19-D21 VanDerWaalsContact C-N 3.31Å; E19-D21 PolarHBondContact O-N 3.16Å; E19-V22 PolarHBondContact O-N 3.35Å; E19-L23 HydrophobicContact CG-CD1 4.48Å; E19-L23 WeakPolarHBondContact O-CB 3.37Å; E19-L23 WeakPolarHBondContact O-CG 3.35Å; E19-L23 PolarHBondContact O-N 3.01Å
20I92.5Very high88Confident83 Ų83102.9 Ų102.943%0.42651%0.511SS..Hα-helixtrans-60.4-41.8172.7-72.8167000111L16 R17 L23 K24L16-I20 WeakPolarHBondContact O-CB 3.48Å; L16-I20 VanDerWaalsContact O-CG1 3.24Å; L16-I20 WeakPolarHBondContact O-CG1 3.42Å; L16-I20 PolarHBondContact O-N 2.98Å; R17-I20 PolarHBondContact O-N 3.3Å; I20-L23 PolarHBondContact O-N 2.86Å; I20-K24 HydrophobicContact CG2-CD 4.04Å; I20-K24 HydrophobicContact CG2-CG 4.41Å; I20-K24 WeakPolarHBondContact O-CB 3.44Å; I20-K24 VanDerWaalsContact O-CG 3.27Å; I20-K24 WeakPolarHBondContact O-CG 3.43Å; I20-K24 PolarHBondContact O-N 2.9Å
21D89.5Confident87.8Confident95 Ų95101 Ų10151%0.50851%0.508SS..Hα-helixtrans-68.2-38.1179.5-69.3-23.4000111.5R17 A18 E19 K24 A25R17-D21 WeakPolarHBondContact O-CB 3.31Å; R17-D21 VanDerWaalsContact O-CG 3.24Å; R17-D21 PolarHBondContact O-N 2.84Å; A18-D21 PolarHBondContact O-N 2.91Å; E19-D21 VanDerWaalsContact C-N 3.31Å; E19-D21 PolarHBondContact O-N 3.16Å; D21-K24 PolarHBondContact O-N 3.33Å; D21-A25 WeakPolarHBondContact O-CB 3.36Å; D21-A25 PolarHBondContact O-N 3.14Å
22V90.4Very high87.2Confident83 Ų83100.6 Ų100.650%0.50351%0.509SS..Hα-helixtrans-63-47171.6170.80000111.2A18 E19 K24 A25 Q26A18-V22 WeakPolarHBondContact O-CG2 3.29Å; A18-V22 PolarHBondContact O-N 3.06Å; E19-V22 PolarHBondContact O-N 3.35Å; V22-K24 PolarHBondContact O-N 3.42Å; V22-A25 WeakPolarHBondContact O-CB 3.34Å; V22-A25 PolarHBondContact O-N 3.33Å; V22-Q26 WeakPolarHBondContact O-CG 3.35Å; V22-Q26 PolarHBondContact O-N 3.43Å
23L91.8Very high86.7Confident88 Ų88100.8 Ų100.846%0.46151%0.507SS..Hα-helixtrans-63.3-40.2177.8-74.2170.3000111.9E19 I20 A25 Q26 I27E19-L23 HydrophobicContact CG-CD1 4.48Å; E19-L23 WeakPolarHBondContact O-CB 3.37Å; E19-L23 WeakPolarHBondContact O-CG 3.35Å; E19-L23 PolarHBondContact O-N 3.01Å; I20-L23 PolarHBondContact O-N 2.86Å; L23-A25 VanDerWaalsContact C-N 3.35Å; L23-Q26 PolarHBondContact O-N 3Å; L23-I27 VanDerWaalsContact O-CG1 3.26Å; L23-I27 WeakPolarHBondContact O-CG1 3.46Å; L23-I27 PolarHBondContact O-N 3.25Å
24K91Very high85.9Confident121 Ų121101.9 Ų101.953%0.52651%0.512SS..Hα-helixtrans-61.4-43.8173.3-77.2172.9-179.4172.70111.4I20 D21 V22 I27 V28I20-K24 HydrophobicContact CG2-CD 4.04Å; I20-K24 HydrophobicContact CG2-CG 4.41Å; I20-K24 WeakPolarHBondContact O-CB 3.44Å; I20-K24 VanDerWaalsContact O-CG 3.27Å; I20-K24 WeakPolarHBondContact O-CG 3.43Å; I20-K24 PolarHBondContact O-N 2.9Å; D21-K24 PolarHBondContact O-N 3.33Å; V22-K24 PolarHBondContact O-N 3.42Å; K24-I27 PolarHBondContact O-N 3.01Å; K24-V28 WeakPolarHBondContact O-CG2 3.33Å; K24-V28 PolarHBondContact O-N 2.97Å
25A86.6Confident84.7Confident58 Ų5897.1 Ų97.148%0.47951%0.505SS..Hα-helixtrans-62.4-43176.300000111.7D21 V22 L23 V28 Q29D21-A25 WeakPolarHBondContact O-CB 3.36Å; D21-A25 PolarHBondContact O-N 3.14Å; V22-A25 WeakPolarHBondContact O-CB 3.34Å; V22-A25 PolarHBondContact O-N 3.33Å; L23-A25 VanDerWaalsContact C-N 3.35Å; A25-V28 PolarHBondContact O-N 3.09Å; A25-Q29 WeakPolarHBondContact O-CB 3.49Å; A25-Q29 PolarHBondContact O-N 2.93Å
26Q89.3Confident83.3Confident88 Ų88100.3 Ų100.341%0.41152%0.517SS..Hα-helixtrans-61.9-42.5174.4-73.6177.3-14.300112.2V22 L23 V28 Q29 M30V22-Q26 WeakPolarHBondContact O-CG 3.35Å; V22-Q26 PolarHBondContact O-N 3.43Å; L23-Q26 PolarHBondContact O-N 3Å; Q26-V28 VanDerWaalsContact C-N 3.33Å; Q26-V28 PolarHBondContact O-N 3.34Å; Q26-Q29 PolarHBondContact O-N 2.93Å; Q26-M30 WeakPolarHBondContact O-CB 3.32Å; Q26-M30 VanDerWaalsContact O-CG 3.3Å; Q26-M30 WeakPolarHBondContact O-CG 3.2Å; Q26-M30 PolarHBondContact O-N 3.4Å
27I88.7Confident82Confident91 Ų91100 Ų10047%0.46752%0.522SS..Hα-helixtrans-61.7-42.2175.5-71.4165.2000110.9L23 K24 K31L23-I27 VanDerWaalsContact O-CG1 3.26Å; L23-I27 WeakPolarHBondContact O-CG1 3.46Å; L23-I27 PolarHBondContact O-N 3.25Å; K24-I27 PolarHBondContact O-N 3.01Å; I27-K31 HydrophobicContact CG2-CD 4.15Å; I27-K31 WeakPolarHBondContact O-CB 3.4Å; I27-K31 VanDerWaalsContact O-CG 3.24Å; I27-K31 WeakPolarHBondContact O-CG 3.4Å; I27-K31 PolarHBondContact O-N 3.41Å
28V83.2Confident80.9Confident83 Ų8395.8 Ų95.850%0.50351%0.51SS..Hα-helixtrans-64.3-43.7176.5171.50000110.7K24 A25 Q26 K31 N32K24-V28 WeakPolarHBondContact O-CG2 3.33Å; K24-V28 PolarHBondContact O-N 2.97Å; A25-V28 PolarHBondContact O-N 3.09Å; Q26-V28 VanDerWaalsContact C-N 3.33Å; Q26-V28 PolarHBondContact O-N 3.34Å; V28-K31 PolarHBondContact O-N 3.48Å; V28-N32 PolarHBondContact O-N 3.22Å
29Q82Confident79.9Confident118 Ų11899.7 Ų99.755%0.55153%0.528SS*.Hα-helixtrans-62.4-50176.9-175.2175.2-3.300111.4A25 Q26 K31 N32 D33A25-Q29 WeakPolarHBondContact O-CB 3.49Å; A25-Q29 PolarHBondContact O-N 2.93Å; Q26-Q29 PolarHBondContact O-N 2.93Å; Q29-K31 VanDerWaalsContact C-N 3.28Å; Q29-K31 PolarHBondContact O-N 2.88Å; Q29-N32 CarbonylContact O-C 3.51Å; Q29-N32 WeakPolarHBondContact O-CA 3.25Å; Q29-N32 WeakPolarHBondContact O-CB 3.43Å; Q29-N32 PolarHBondContact O-N 3.14Å; Q29-D33 VanDerWaalsContact O-CG 3.31Å; Q29-D33 PolarHBondContact O-N 3.47Å
30M83.9Confident79.1Confident125 Ų12599 Ų9962%0.61653%0.526SS*.Hα-helixtrans-60.5-36.7177.3-71.2177.4-176.600112.3Q26 N32 D33 L34Q26-M30 WeakPolarHBondContact O-CB 3.32Å; Q26-M30 VanDerWaalsContact O-CG 3.3Å; Q26-M30 WeakPolarHBondContact O-CG 3.2Å; Q26-M30 PolarHBondContact O-N 3.4Å; M30-N32 VanDerWaalsContact C-N 3.34Å; M30-D33 PolarHBondContact O-N 3.3Å; M30-L34 WeakPolarHBondContact O-CB 3.3Å; M30-L34 PolarHBondContact O-N 3.41Å
31K78.7Confident78.8Confident139 Ų13997.5 Ų97.560%0.60452%0.516SS*.Hα-helixtrans-64.8-37.8173.3-78.8178.2177-173.70112.3I27 V28 Q29 S35I27-K31 HydrophobicContact CG2-CD 4.15Å; I27-K31 WeakPolarHBondContact O-CB 3.4Å; I27-K31 VanDerWaalsContact O-CG 3.24Å; I27-K31 WeakPolarHBondContact O-CG 3.4Å; I27-K31 PolarHBondContact O-N 3.41Å; V28-K31 PolarHBondContact O-N 3.48Å; Q29-K31 VanDerWaalsContact C-N 3.28Å; Q29-K31 PolarHBondContact O-N 2.88Å; K31-S35 WeakPolarHBondContact O-CB 3.38Å; K31-S35 PolarHBondContact O-N 3.34Å; K31-S35 PolarHBondContact O-OG 2.91Å
32N72.1Confident78.9Confident86 Ų8697.7 Ų97.746%0.4652%0.522SS..Hα-helixtrans-70.4-42.1175-76.6-14.9000112V28 Q29 M30 L34 S35 Q36V28-N32 PolarHBondContact O-N 3.22Å; Q29-N32 CarbonylContact O-C 3.51Å; Q29-N32 WeakPolarHBondContact O-CA 3.25Å; Q29-N32 WeakPolarHBondContact O-CB 3.43Å; Q29-N32 PolarHBondContact O-N 3.14Å; M30-N32 VanDerWaalsContact C-N 3.34Å; N32-L34 VanDerWaalsContact C-N 3.3Å; N32-L34 PolarHBondContact O-N 3.08Å; N32-S35 WeakPolarHBondContact CA-OG 3.24Å; N32-S35 PolarHBondContact O-N 3.1Å; N32-S35 PolarHBondContact O-OG 3.36Å; N32-Q36 WeakPolarHBondContact O-CB 3.46Å; N32-Q36 WeakPolarHBondContact O-CG 3.44Å; N32-Q36 PolarHBondContact O-N 3.28Å
33D75.9Confident79Confident83 Ų83100.7 Ų100.744%0.44453%0.528SS..Hα-helixtrans-65-38.4176.6-62.6-18.5000110.6Q29 M30 Q36 S37Q29-D33 VanDerWaalsContact O-CG 3.31Å; Q29-D33 PolarHBondContact O-N 3.47Å; M30-D33 PolarHBondContact O-N 3.3Å; D33-Q36 PolarHBondContact O-N 2.88Å; D33-S37 WeakPolarHBondContact O-CB 3.38Å; D33-S37 PolarHBondContact O-N 3.43Å; D33-S37 PolarHBondContact O-OG 2.75Å; D33-S37 VanDerWaalsContact O-OG 3.12Å
34L70.1Confident79.1Confident103 Ų10398.6 Ų98.654%0.53952%0.517SS..Hα-helixtrans-65.5-42.3174.3-169.670000111.7M30 N32 Q36 S37 H38M30-L34 WeakPolarHBondContact O-CB 3.3Å; M30-L34 PolarHBondContact O-N 3.41Å; N32-L34 VanDerWaalsContact C-N 3.3Å; N32-L34 PolarHBondContact O-N 3.08Å; L34-Q36 VanDerWaalsContact C-N 3.3Å; L34-Q36 PolarHBondContact O-N 3.34Å; L34-S37 WeakPolarHBondContact CA-OG 3.43Å; L34-S37 PolarHBondContact O-N 3.33Å; L34-S37 PolarHBondContact O-OG 3.5Å; L34-H38 PolarHBondContact O-N 3.28Å; L34-H38 PolarHBondContact O-ND1 3.39Å
35S63.4Low79.2Confident70 Ų70100.1 Ų100.149%0.4953%0.531SS..Hα-helixtrans-69-28.5177.570.60000112.8K31 N32K31-S35 WeakPolarHBondContact O-CB 3.38Å; K31-S35 PolarHBondContact O-N 3.34Å; K31-S35 PolarHBondContact O-OG 2.91Å; N32-S35 WeakPolarHBondContact CA-OG 3.24Å; N32-S35 PolarHBondContact O-N 3.1Å; N32-S35 PolarHBondContact O-OG 3.36Å
36Q60.1Low79.4Confident159 Ų159105.2 Ų105.274%0.74355%0.545SS*.Hα-helixtrans-77.2-31.6174-73.5-17912.400113.5N32 D33 L34 H38N32-Q36 WeakPolarHBondContact O-CB 3.46Å; N32-Q36 WeakPolarHBondContact O-CG 3.44Å; N32-Q36 PolarHBondContact O-N 3.28Å; D33-Q36 PolarHBondContact O-N 2.88Å; L34-Q36 VanDerWaalsContact C-N 3.3Å; L34-Q36 PolarHBondContact O-N 3.34Å; Q36-H38 VanDerWaalsContact C-N 3.3Å; Q36-H38 PolarHBondContact O-N 2.89Å
37S62.6Low79.6Confident81 Ų81102 Ų10257%0.56653%0.53SS*.Hα-helixtrans-75.7-1718054.80000113.9D33 L34D33-S37 WeakPolarHBondContact O-CB 3.38Å; D33-S37 PolarHBondContact O-N 3.43Å; D33-S37 PolarHBondContact O-OG 2.75Å; D33-S37 VanDerWaalsContact O-OG 3.12Å; L34-S37 WeakPolarHBondContact CA-OG 3.43Å; L34-S37 PolarHBondContact O-N 3.33Å; L34-S37 PolarHBondContact O-OG 3.5Å
38H66.9Low79.8Confident84 Ų8499.8 Ų99.839%0.38952%0.523SS..SBendtrans-111.5110.8-175-70.367.3000110.5L34 Q36 I40 F141L34-H38 PolarHBondContact O-N 3.28Å; L34-H38 PolarHBondContact O-ND1 3.39Å; Q36-H38 VanDerWaalsContact C-N 3.3Å; Q36-H38 PolarHBondContact O-N 2.89Å; H38-I40 VanDerWaalsContact C-N 3.34Å; H38-I40 PolarHBondContact O-N 2.94Å; H38-F141 HydrophobicContact CB-CE2 3.79Å; H38-F141 HydrophobicContact CB-CZ 4.28Å; H38-F141 AromaticContact CD2-CZ 3.99Å
39T67.7Low80.2Confident138 Ų13899.7 Ų99.785%0.84752%0.519SS*.  trans-70.488.9171.9370000110.2R41T39-R41 PolarHBondContact O-N 3.34Å
40I75.7Confident80.7Confident102 Ų10299.4 Ų99.452%0.52352%0.518SS..PPolyproline II helixtrans-72.9123171.3-58.3175.1000107.9H38 F141 P144H38-I40 VanDerWaalsContact C-N 3.34Å; H38-I40 PolarHBondContact O-N 2.94Å; I40-F141 HydrophobicContact CG1-CD2 3.96Å; I40-F141 HydrophobicContact CG1-CE2 3.86Å; I40-P144 HydrophobicContact CG2-CG 4.31Å
41R86.2Confident81.2Confident53 Ų5397.8 Ų97.820%0.252%0.515CS..PPolyproline II helixtrans-59.6136.8172.2179.4-173.5143.8-126.5-11.3109.6T39 N143 P144 D145T39-R41 PolarHBondContact O-N 3.34Å; R41-N143 PolarHBondContact NH1-OD1 3.5Å; R41-N143 VanDerWaalsContact NH1-OD1 3.09Å; R41-P144 WeakPolarHBondContact O-CG 3.42Å; R41-D145 IonicContact CZ-OD2 3.42Å; R41-D145 IonicContact NH1-OD2 4Å; R41-D145 IonicContact NH2-OD2 2.77Å; R41-D145 PolarHBondContact NH2-OD2 3.02Å
42P90Very high81.9Confident98 Ų9893.4 Ų93.464%0.63650%0.5SS*.PPolyproline II helixtrans-63.4153.7175.327.7-35.6000111.6
43K93.5Very high82.9Confident146 Ų14696.6 Ų96.664%0.63552%0.517SS*.PPolyproline II helixtrans-63.9142.9171.3-66.2-163.6-176.1-146.70110.6P144 D145K43-P144 WeakPolarHBondContact CE-O 3.45Å; K43-P144 HydrophobicContact CG-CB 4.12Å; K43-P144 HydrophobicContact CG-CG 4.39Å; K43-P144 PolarHBondContact NZ-O 3.09Å; K43-D145 WeakPolarHBondContact CA-OD1 3.44Å; K43-D145 WeakPolarHBondContact CB-OD1 3.46Å
44I94.3Very high83.6Confident45 Ų4597.4 Ų97.423%0.23153%0.529CS..  trans-113.6121.4176.3-67.4-172.9000108.4Q46 Y57 R76 D145I44-Q46 WeakPolarHBondContact CG2-O 3.38Å; I44-Y57 HydrophobicContact CB-CE2 4.29Å; I44-Y57 HydrophobicContact CD1-CD2 4.31Å; I44-Y57 HydrophobicContact CD1-CE2 4.33Å; I44-Y57 HydrophobicContact CG2-CE2 4.44Å; I44-R76 VanDerWaalsContact O-CZ 3.23Å; I44-R76 PolarHBondContact O-NH1 3.05Å; I44-R76 PolarHBondContact O-NH2 2.87Å; I44-D145 PolarHBondContact N-OD1 3.31Å
45D91.8Very high84.8Confident153 Ų15393 Ų9382%0.81851%0.506SS*.SBendtrans-71.8-39.8-177.6-63.9-31.1000112.7R76D45-R76 VanDerWaalsContact C-NH1 3.32Å; D45-R76 PolarHBondContact O-NH1 2.86Å
46Q92.4Very high86.3Confident165 Ų16592.7 Ų92.777%0.77150%0.502SS*.SBendtrans-127.7135.3-180-65.9-173.7-3.100111.7I44 S48I44-Q46 WeakPolarHBondContact CG2-O 3.38Å; Q46-S48 PolarHBondContact O-N 3.32Å; Q46-S48 VanDerWaalsContact O-N 3.08Å
47M93Very high88Confident21 Ų2185.2 Ų85.210%0.10347%0.467CS..  trans-69.3108.5176.6-75.3-162.2-83.100110.6Y57 M61 Y72 A73 I75 R76M47-Y57 HydrophobicContact CG-CD1 4.19Å; M47-Y57 HydrophobicContact CG-CD2 3.84Å; M47-Y57 HydrophobicContact CG-CE1 4.49Å; M47-Y57 HydrophobicContact CG-CE2 4.11Å; M47-Y57 HydrophobicContact CG-CG 3.87Å; M47-Y57 HydrophobicContact SD-CD1 3.63Å; M47-Y57 HydrophobicContact SD-CD2 4.38Å; M47-Y57 HydrophobicContact SD-CE1 3.97Å; M47-Y57 HydrophobicContact SD-CG 3.87Å; M47-M61 HydrophobicContact CB-CG 4.4Å; M47-M61 HydrophobicContact CB-SD 3.9Å; M47-Y72 HydrophobicContact CE-CD1 4.27Å; M47-Y72 HydrophobicContact CE-CE1 4.4Å; M47-Y72 HydrophobicContact SD-CD1 4.35Å; M47-Y72 HydrophobicContact SD-CE1 4.25Å; M47-A73 VanDerWaalsContact CE-CA 3.48Å; M47-A73 HydrophobicContact CE-CB 4.33Å; M47-A73 WeakPolarHBondContact CE-O 3.36Å; M47-I75 HydrophobicContact CE-CG2 3.5Å; M47-R76 HydrophobicContact CE-CB 4.14Å; M47-R76 HydrophobicContact CE-CG 3.67Å
48S91.9Very high89.5Confident44 Ų4481.5 Ų81.531%0.30844%0.441SS..  trans-83.8142.1177.9178.50000111.5Q46 E50 N55 M61Q46-S48 PolarHBondContact O-N 3.32Å; Q46-S48 VanDerWaalsContact O-N 3.08Å; S48-E50 VanDerWaalsContact C-N 3.28Å; S48-E50 WeakPolarHBondContact OG-CB 3.33Å; S48-E50 PolarHBondContact OG-N 3.43Å; S48-N55 PolarHBondContact O-ND2 2.94Å; S48-M61 WeakPolarHBondContact O-CG 3.29Å
49N91.4Very high90.9Very high81 Ų8184.8 Ų84.843%0.43345%0.45SS..  trans-86.31.6171.269.3-0.9000112.9V51 M61 R65N49-V51 PolarHBondContact O-N 3Å; N49-M61 HydrophobicContact CB-CB 4.1Å; N49-R65 PolarHBondContact ND2-NH2 2.79Å; N49-R65 VanDerWaalsContact O-CZ 3.23Å; N49-R65 PolarHBondContact O-NH1 3.31Å; N49-R65 PolarHBondContact O-NH2 3.18Å; N49-R65 PolarHBondContact OD1-NH2 3.21Å
50E93.2Very high92.3Very high112 Ų11280 Ų8052%0.52342%0.419SS..  trans-63.3129.5179.3-171.3-179.7-172.700111S48 V52 N55 S58S48-E50 VanDerWaalsContact C-N 3.28Å; S48-E50 WeakPolarHBondContact OG-CB 3.33Å; S48-E50 PolarHBondContact OG-N 3.43Å; E50-V52 HydrophobicContact CG-CG1 4Å; E50-V52 HydrophobicContact CG-CG2 4.22Å; E50-V52 PolarHBondContact O-N 3.03Å; E50-N55 PolarHBondContact O-ND2 3.44Å; E50-S58 VanDerWaalsContact O-CB 3.3Å; E50-S58 WeakPolarHBondContact O-CB 3.32Å
51V93.8Very high93.2Very high90 Ų9075.7 Ų75.755%0.54540%0.397SS..  trans-94.484.4-175.9-173.70000108.7N49N49-V51 PolarHBondContact O-N 3Å
52V93.3Very high93.6Very high47 Ų4774.7 Ų74.729%0.28540%0.4SS..  trans-132.5154.6174.9-69.20000109.7E50 S54 N55E50-V52 HydrophobicContact CG-CG1 4Å; E50-V52 HydrophobicContact CG-CG2 4.22Å; E50-V52 PolarHBondContact O-N 3.03Å; V52-S54 PolarHBondContact O-N 2.87Å; V52-N55 HydrophobicContact CG2-CB 3.74Å; V52-N55 PolarHBondContact O-N 3.39Å; V52-N55 VanDerWaalsContact O-N 3.13Å
53D92.7Very high93.9Very high153 Ų15372.6 Ų72.682%0.81838%0.383SS*.THydrogen-bonded Turntrans-68-23.1-175.1-66.9-22.4000113.4N55 R59D53-N55 VanDerWaalsContact C-N 3.32Å; D53-R59 IonicContact OD1-NH2 2.64Å
54S92Very high93.8Very high101 Ų10169.2 Ų69.271%0.70637%0.37SS*.THydrogen-bonded Turntrans-77.7-13175.457.60000114V52 P56V52-S54 PolarHBondContact O-N 2.87Å; S54-P56 VanDerWaalsContact O-CD 3.31Å; S54-P56 WeakPolarHBondContact O-CD 3.41Å
55N94.1Very high93.6Very high10 Ų1073.9 Ų73.95%0.05339%0.385CS..  trans-98.8103.2-17917912.2000111.1S48 E50 V52 D53 Y57 S58S48-N55 PolarHBondContact O-ND2 2.94Å; E50-N55 PolarHBondContact O-ND2 3.44Å; V52-N55 HydrophobicContact CG2-CB 3.74Å; V52-N55 PolarHBondContact O-N 3.39Å; V52-N55 VanDerWaalsContact O-N 3.13Å; D53-N55 VanDerWaalsContact C-N 3.32Å; N55-Y57 PolarHBondContact O-N 2.96Å; N55-Y57 WeakPolarHBondContact OD1-CB 3.23Å; N55-Y57 PolarHBondContact OD1-N 3.37Å; N55-S58 PolarHBondContact ND2-N 3.28Å; N55-S58 WeakPolarHBondContact O-CB 3.28Å; N55-S58 PolarHBondContact O-N 2.93Å; N55-S58 PolarHBondContact O-OG 3.4Å; N55-S58 PolarHBondContact OD1-N 3.14Å
56P94.7Very high93.7Very high63 Ų6373.6 Ų73.641%0.40938%0.38SS..THydrogen-bonded Turntrans-72.9-15.1179.730.4-34.5000113.6S54S54-P56 VanDerWaalsContact O-CD 3.31Å; S54-P56 WeakPolarHBondContact O-CD 3.41Å
57Y96.4Very high93.7Very high2 Ų268.6 Ų68.61%0.00837%0.373CS..THydrogen-bonded Turntrans-86.6-10.9177.2-59-61.4000113I44 M47 N55 R59 L60 M61 R76 N143 D145I44-Y57 HydrophobicContact CB-CE2 4.29Å; I44-Y57 HydrophobicContact CD1-CD2 4.31Å; I44-Y57 HydrophobicContact CD1-CE2 4.33Å; I44-Y57 HydrophobicContact CG2-CE2 4.44Å; M47-Y57 HydrophobicContact CG-CD1 4.19Å; M47-Y57 HydrophobicContact CG-CD2 3.84Å; M47-Y57 HydrophobicContact CG-CE1 4.49Å; M47-Y57 HydrophobicContact CG-CE2 4.11Å; M47-Y57 HydrophobicContact CG-CG 3.87Å; M47-Y57 HydrophobicContact SD-CD1 3.63Å; M47-Y57 HydrophobicContact SD-CD2 4.38Å; M47-Y57 HydrophobicContact SD-CE1 3.97Å; M47-Y57 HydrophobicContact SD-CG 3.87Å; N55-Y57 PolarHBondContact O-N 2.96Å; N55-Y57 WeakPolarHBondContact OD1-CB 3.23Å; N55-Y57 PolarHBondContact OD1-N 3.37Å; Y57-R59 VanDerWaalsContact C-N 3.29Å; Y57-R59 PolarHBondContact O-N 2.8Å; Y57-L60 HydrophobicContact CD1-CD1 4.05Å; Y57-L60 WeakPolarHBondContact O-CB 3.49Å; Y57-L60 PolarHBondContact O-N 3.07Å; Y57-M61 WeakPolarHBondContact O-CG 3.39Å; Y57-M61 PolarHBondContact O-N 3.08Å; Y57-R76 PolarHBondContact OH-NH2 2.93Å; Y57-N143 PolarHBondContact OH-ND2 3.13Å; Y57-N143 PolarHBondContact OH-OD1 3.48Å; Y57-N143 VanDerWaalsContact OH-OD1 3.09Å; Y57-D145 VanDerWaalsContact CE2-OD2 3.31Å; Y57-D145 WeakPolarHBondContact CE2-OD2 3.33Å; Y57-D145 WeakPolarHBondContact OH-CB 3.47Å; Y57-D145 PolarHBondContact OH-OD2 3.41Å
58S95.2Very high93.7Very high4 Ų470.9 Ų70.93%0.02839%0.388CS..Hα-helixtrans-51.3-44.3-175.553.50000113.6E50 N55 A62E50-S58 VanDerWaalsContact O-CB 3.3Å; E50-S58 WeakPolarHBondContact O-CB 3.32Å; N55-S58 PolarHBondContact ND2-N 3.28Å; N55-S58 WeakPolarHBondContact O-CB 3.28Å; N55-S58 PolarHBondContact O-N 2.93Å; N55-S58 PolarHBondContact O-OG 3.4Å; N55-S58 PolarHBondContact OD1-N 3.14Å; S58-A62 PolarHBondContact O-N 3.34Å
59R95.6Very high93.8Very high152 Ų15268.8 Ų68.857%0.57437%0.373SS*.Hα-helixtrans-76.7-26.9-179.5-79.563.6176.9-174.8-1.5112.6D53 Y57 A62D53-R59 IonicContact OD1-NH2 2.64Å; Y57-R59 VanDerWaalsContact C-N 3.29Å; Y57-R59 PolarHBondContact O-N 2.8Å; R59-A62 WeakPolarHBondContact O-CB 3.39Å
60L96.5Very high93.9Very high38 Ų3870.8 Ų70.820%0.19939%0.388CS..Hα-helixtrans-75.1-45.8175-64.5172.1000110.9Y57 A62 L63 Y72 R98Y57-L60 HydrophobicContact CD1-CD1 4.05Å; Y57-L60 WeakPolarHBondContact O-CB 3.49Å; Y57-L60 PolarHBondContact O-N 3.07Å; L60-A62 PolarHBondContact O-N 2.96Å; L60-L63 VanDerWaalsContact O-CB 3.25Å; L60-L63 WeakPolarHBondContact O-CB 3.18Å; L60-L63 WeakPolarHBondContact O-CG 3.29Å; L60-L63 PolarHBondContact O-N 3.07Å; L60-Y72 HydrophobicContact CB-CD1 4.2Å; L60-Y72 HydrophobicContact CB-CE1 3.6Å; L60-Y72 HydrophobicContact CB-CE2 4.25Å; L60-Y72 HydrophobicContact CD1-CE1 4.23Å; L60-Y72 HydrophobicContact CG-CE1 4.4Å; L60-R98 WeakPolarHBondContact CD1-O 3.31Å
61M95.7Very high94Very high12 Ų1268.1 Ų68.16%0.05938%0.378CS..Hα-helixtrans-64.4-20.8175.1-66-58.4-68.100112.8M47 S48 N49 Y57 L63 Q64 Y72M47-M61 HydrophobicContact CB-CG 4.4Å; M47-M61 HydrophobicContact CB-SD 3.9Å; S48-M61 WeakPolarHBondContact O-CG 3.29Å; N49-M61 HydrophobicContact CB-CB 4.1Å; Y57-M61 WeakPolarHBondContact O-CG 3.39Å; Y57-M61 PolarHBondContact O-N 3.08Å; M61-L63 PolarHBondContact O-N 3.12Å; M61-Q64 WeakPolarHBondContact O-CB 3.44Å; M61-Q64 PolarHBondContact O-N 3.22Å; M61-Q64 VanDerWaalsContact O-N 3.12Å; M61-Y72 HydrophobicContact SD-CD1 3.84Å; M61-Y72 HydrophobicContact SD-CG 4.37Å
62A94.9Very high94.1Very high31 Ų3164 Ų6426%0.25635%0.353SS..Hα-helixtrans-61.2-28171.600000112.7S58 R59 L60 Q64 R65 M66S58-A62 PolarHBondContact O-N 3.34Å; R59-A62 WeakPolarHBondContact O-CB 3.39Å; L60-A62 PolarHBondContact O-N 2.96Å; A62-Q64 PolarHBondContact O-N 3.3Å; A62-R65 PolarHBondContact O-N 3.04Å; A62-M66 WeakPolarHBondContact O-CG 3.48Å; A62-M66 PolarHBondContact O-N 3.2Å
63L94.6Very high94.3Very high55 Ų5563.6 Ų63.629%0.28835%0.354SS..Hα-helixtrans-58-32.5174-68168.5000112.3L60 M61 G67 V68 V69 Y72L60-L63 VanDerWaalsContact O-CB 3.25Å; L60-L63 WeakPolarHBondContact O-CB 3.18Å; L60-L63 WeakPolarHBondContact O-CG 3.29Å; L60-L63 PolarHBondContact O-N 3.07Å; M61-L63 PolarHBondContact O-N 3.12Å; L63-G67 PolarHBondContact O-N 2.83Å; L63-V68 HydrophobicContact CD2-CB 4.27Å; L63-V68 HydrophobicContact CD2-CG1 4.33Å; L63-V68 HydrophobicContact CD2-CG2 4.46Å; L63-V68 PolarHBondContact O-N 2.71Å; L63-V69 HydrophobicContact CB-CG2 4.26Å; L63-V69 PolarHBondContact O-N 3.13Å; L63-Y72 HydrophobicContact CB-CD2 4.5Å; L63-Y72 HydrophobicContact CD1-CD2 3.9Å; L63-Y72 HydrophobicContact CD1-CE2 3.79Å
64Q92.6Very high94.5Very high75 Ų7559 Ų5935%0.3533%0.329SS..Hα-helixtrans-72.4-42175.5-173.4174.6-1.400112M61 A62 M66 G67 V69 T70M61-Q64 WeakPolarHBondContact O-CB 3.44Å; M61-Q64 PolarHBondContact O-N 3.22Å; M61-Q64 VanDerWaalsContact O-N 3.12Å; A62-Q64 PolarHBondContact O-N 3.3Å; Q64-M66 VanDerWaalsContact C-N 3.3Å; Q64-M66 PolarHBondContact O-N 3.18Å; Q64-G67 PolarHBondContact O-N 3.05Å; Q64-G67 VanDerWaalsContact O-N 3.1Å; Q64-V69 WeakPolarHBondContact CA-O 3.5Å; Q64-T70 WeakPolarHBondContact CG-O 3.2Å; Q64-T70 PolarHBondContact NE2-O 3.29Å; Q64-T70 VanDerWaalsContact NE2-O 3.08Å
65R90.7Very high94.8Very high143 Ų14354.1 Ų54.154%0.5430%0.295SS..Hα-helixtrans-64.3-35.4174.7-67.2-176.1174.6165.11.9112.5N49 A62 G67N49-R65 PolarHBondContact ND2-NH2 2.79Å; N49-R65 VanDerWaalsContact O-CZ 3.23Å; N49-R65 PolarHBondContact O-NH1 3.31Å; N49-R65 PolarHBondContact O-NH2 3.18Å; N49-R65 PolarHBondContact OD1-NH2 3.21Å; A62-R65 PolarHBondContact O-N 3.04Å; R65-G67 PolarHBondContact O-N 3.42Å
66M92.9Very high94.9Very high146 Ų14655.9 Ų55.972%0.71930%0.301SS*.THydrogen-bonded Turntrans-77.3-1.3176.1-66179.173.400113.1A62 Q64 V68A62-M66 WeakPolarHBondContact O-CG 3.48Å; A62-M66 PolarHBondContact O-N 3.2Å; Q64-M66 VanDerWaalsContact C-N 3.3Å; Q64-M66 PolarHBondContact O-N 3.18Å; M66-V68 HydrophobicContact CB-CG2 4.11Å; M66-V68 PolarHBondContact O-N 3.31Å
67G92.1Very high95Very high60 Ų6058.7 Ų58.762%0.61931%0.309SS*.THydrogen-bonded Turntrans69.416.117900000114.5L63 Q64 R65L63-G67 PolarHBondContact O-N 2.83Å; Q64-G67 PolarHBondContact O-N 3.05Å; Q64-G67 VanDerWaalsContact O-N 3.1Å; R65-G67 PolarHBondContact O-N 3.42Å
68V93.3Very high95.1Very high69 Ų6960.7 Ų60.742%0.41832%0.317SS..SBendtrans-77-45.3178-179.90000110.4L63 M66 F280L63-V68 HydrophobicContact CD2-CB 4.27Å; L63-V68 HydrophobicContact CD2-CG1 4.33Å; L63-V68 HydrophobicContact CD2-CG2 4.46Å; L63-V68 PolarHBondContact O-N 2.71Å; M66-V68 HydrophobicContact CB-CG2 4.11Å; M66-V68 PolarHBondContact O-N 3.31Å; V68-F280 HydrophobicContact CG1-CD2 4.11Å; V68-F280 HydrophobicContact CG1-CE2 4.47Å; V68-F280 VanDerWaalsContact O-CB 3.32Å; V68-F280 WeakPolarHBondContact O-CB 3.46Å
69V94.3Very high95.2Very high1 Ų160.5 Ų60.51%0.00632%0.316CS..SBendtrans-123.5124.7178.7-175.40000108.5L63 Q64 D71 L278 F280L63-V69 HydrophobicContact CB-CG2 4.26Å; L63-V69 PolarHBondContact O-N 3.13Å; Q64-V69 WeakPolarHBondContact CA-O 3.5Å; V69-D71 PolarHBondContact O-N 3.28Å; V69-L278 HydrophobicContact CG1-CB 3.9Å; V69-L278 HydrophobicContact CG1-CD1 4.21Å; V69-F280 HydrophobicContact CG1-CD1 4.46Å; V69-F280 HydrophobicContact CG2-CB 4.25Å; V69-F280 HydrophobicContact CG2-CD1 3.62Å; V69-F280 HydrophobicContact CG2-CD2 4.24Å; V69-F280 HydrophobicContact CG2-CE1 3.93Å; V69-F280 HydrophobicContact CG2-CG 3.78Å; V69-F280 HydrophobicContact CG2-CZ 4.4Å
70T93Very high95.4Very high122 Ų12253.3 Ų53.375%0.74829%0.289SS*.SBendtrans-66.6-37.9-174.9510000113.3Q64Q64-T70 WeakPolarHBondContact CG-O 3.2Å; Q64-T70 PolarHBondContact NE2-O 3.29Å; Q64-T70 VanDerWaalsContact NE2-O 3.08Å
71D94.6Very high95.5Very high57 Ų5751.5 Ų51.531%0.30528%0.279SS..  trans-14396.1177.8-174.8-1.5000109.1V69 A73 L74V69-D71 PolarHBondContact O-N 3.28Å; D71-A73 PolarHBondContact O-N 2.81Å; D71-A73 VanDerWaalsContact OD1-CB 3.29Å; D71-A73 WeakPolarHBondContact OD1-CB 3.11Å; D71-A73 PolarHBondContact OD1-N 2.82Å; D71-L74 HydrophobicContact CB-CD1 3.91Å; D71-L74 HydrophobicContact CB-CG 4.05Å; D71-L74 WeakPolarHBondContact OD2-CG 3.37Å
72Y97.2Very high95.7Very high4 Ų450.9 Ų50.92%0.01628%0.276CS..SBendtrans-70.9-25.7178-171.6-86.2000111.1M47 L60 M61 L63 L74 I75 C99 L278M47-Y72 HydrophobicContact CE-CD1 4.27Å; M47-Y72 HydrophobicContact CE-CE1 4.4Å; M47-Y72 HydrophobicContact SD-CD1 4.35Å; M47-Y72 HydrophobicContact SD-CE1 4.25Å; L60-Y72 HydrophobicContact CB-CD1 4.2Å; L60-Y72 HydrophobicContact CB-CE1 3.6Å; L60-Y72 HydrophobicContact CB-CE2 4.25Å; L60-Y72 HydrophobicContact CD1-CE1 4.23Å; L60-Y72 HydrophobicContact CG-CE1 4.4Å; M61-Y72 HydrophobicContact SD-CD1 3.84Å; M61-Y72 HydrophobicContact SD-CG 4.37Å; L63-Y72 HydrophobicContact CB-CD2 4.5Å; L63-Y72 HydrophobicContact CD1-CD2 3.9Å; L63-Y72 HydrophobicContact CD1-CE2 3.79Å; Y72-L74 PolarHBondContact O-N 2.91Å; Y72-L74 VanDerWaalsContact O-N 3.15Å; Y72-I75 HydrophobicContact CD1-CG2 4.26Å; Y72-I75 HydrophobicContact CE1-CG2 3.8Å; Y72-I75 VanDerWaalsContact O-CG2 3.3Å; Y72-I75 WeakPolarHBondContact O-CG2 3.21Å; Y72-I75 PolarHBondContact O-N 3.35Å; Y72-C99 WeakPolarHBondContact OH-CB 3.4Å; Y72-C99 PolarHBondContact OH-O 2.96Å; Y72-L278 HydrophobicContact CD2-CD1 4.05Å; Y72-L278 HydrophobicContact CE2-CD1 4.1Å
73A96.6Very high95.8Very high37 Ų3749.7 Ų49.731%0.30627%0.266SS..G310 helixtrans-61.6-28.3-174.900000112.7M47 D71 I75 R76M47-A73 VanDerWaalsContact CE-CA 3.48Å; M47-A73 HydrophobicContact CE-CB 4.33Å; M47-A73 WeakPolarHBondContact CE-O 3.36Å; D71-A73 PolarHBondContact O-N 2.81Å; D71-A73 VanDerWaalsContact OD1-CB 3.29Å; D71-A73 WeakPolarHBondContact OD1-CB 3.11Å; D71-A73 PolarHBondContact OD1-N 2.82Å; A73-I75 PolarHBondContact O-N 3.09Å; A73-R76 WeakPolarHBondContact O-CB 3.48Å; A73-R76 PolarHBondContact O-N 3.5Å; A73-R76 VanDerWaalsContact O-N 3.09Å
74L96.6Very high96Very high56 Ų5647.4 Ų47.429%0.29326%0.256SS..G310 helixtrans-53.3-23.6176.4-69.6174.6000114.3D71 Y72 R76 E77 K78 L278D71-L74 HydrophobicContact CB-CD1 3.91Å; D71-L74 HydrophobicContact CB-CG 4.05Å; D71-L74 WeakPolarHBondContact OD2-CG 3.37Å; Y72-L74 PolarHBondContact O-N 2.91Å; Y72-L74 VanDerWaalsContact O-N 3.15Å; L74-R76 PolarHBondContact O-N 3.47Å; L74-E77 WeakPolarHBondContact O-CB 3.38Å; L74-E77 PolarHBondContact O-N 3.16Å; L74-K78 WeakPolarHBondContact O-CG 3.2Å; L74-L278 HydrophobicContact CB-CD2 3.94Å
75I98Very high96.3Very high0 Ų043.9 Ų43.90%024%0.239CC..G310 helixtrans-59-29.3178.4-165.757.9000112.1M47 Y72 A73 E77 K78 I101 G102 L274 L277 L278M47-I75 HydrophobicContact CE-CG2 3.5Å; Y72-I75 HydrophobicContact CD1-CG2 4.26Å; Y72-I75 HydrophobicContact CE1-CG2 3.8Å; Y72-I75 VanDerWaalsContact O-CG2 3.3Å; Y72-I75 WeakPolarHBondContact O-CG2 3.21Å; Y72-I75 PolarHBondContact O-N 3.35Å; A73-I75 PolarHBondContact O-N 3.09Å; I75-E77 PolarHBondContact O-N 3.35Å; I75-K78 WeakPolarHBondContact O-CB 3.41Å; I75-K78 PolarHBondContact O-N 2.72Å; I75-I101 HydrophobicContact CD1-CD1 3.68Å; I75-I101 HydrophobicContact CG1-CD1 4.19Å; I75-G102 PolarHBondContact O-N 3.2Å; I75-L274 HydrophobicContact CD1-CD2 3.76Å; I75-L274 HydrophobicContact CG1-CD2 4.33Å; I75-L277 HydrophobicContact CD1-CD1 4.25Å; I75-L278 HydrophobicContact CB-CD1 4.41Å; I75-L278 HydrophobicContact CB-CD2 4.05Å
76R97.2Very high96.5Very high46 Ų4637.8 Ų37.817%0.17422%0.221CC..G310 helixtrans-70.8-15.5176.1-93.7179.4169.1-154.6-7114.4I44 D45 M47 Y57 A73 L74 K78 G100 G102 D145 L173I44-R76 VanDerWaalsContact O-CZ 3.23Å; I44-R76 PolarHBondContact O-NH1 3.05Å; I44-R76 PolarHBondContact O-NH2 2.87Å; D45-R76 VanDerWaalsContact C-NH1 3.32Å; D45-R76 PolarHBondContact O-NH1 2.86Å; M47-R76 HydrophobicContact CE-CB 4.14Å; M47-R76 HydrophobicContact CE-CG 3.67Å; Y57-R76 PolarHBondContact OH-NH2 2.93Å; A73-R76 WeakPolarHBondContact O-CB 3.48Å; A73-R76 PolarHBondContact O-N 3.5Å; A73-R76 VanDerWaalsContact O-N 3.09Å; L74-R76 PolarHBondContact O-N 3.47Å; R76-K78 VanDerWaalsContact C-N 3.3Å; R76-G100 WeakPolarHBondContact CG-O 3.4Å; R76-G102 WeakPolarHBondContact O-CA 3.3Å; R76-D145 IonicContact NH2-OD1 3.19Å; R76-D145 IonicContact NH2-OD2 3.39Å; R76-D145 PolarHBondContact NH2-OD2 3.13Å; R76-L173 VanDerWaalsContact O-CD2 3.26Å; R76-L173 WeakPolarHBondContact O-CD2 3.39Å
77E96.8Very high96.6Very high123 Ų12331.1 Ų31.158%0.57519%0.19SC*.G310 helixtrans-89.7-2.8177.6-58.6-172.9-177.200112.3L74 I75L74-E77 WeakPolarHBondContact O-CB 3.38Å; L74-E77 PolarHBondContact O-N 3.16Å; I75-E77 PolarHBondContact O-N 3.35Å
78K98.2Very high96.9Very high44 Ų4429 Ų2919%0.19117%0.165CC..  trans-98.4141.8-171.4-54.3-56.1-179.9-173.30112.8L74 I75 R76 I101 G102 R103 D180 L277L74-K78 WeakPolarHBondContact O-CG 3.2Å; I75-K78 WeakPolarHBondContact O-CB 3.41Å; I75-K78 PolarHBondContact O-N 2.72Å; R76-K78 VanDerWaalsContact C-N 3.3Å; K78-I101 HydrophobicContact CB-CD1 3.59Å; K78-G102 WeakPolarHBondContact O-CA 3.05Å; K78-G102 PolarHBondContact O-N 2.7Å; K78-G102 VanDerWaalsContact O-N 3.15Å; K78-R103 PolarHBondContact O-N 3.43Å; K78-R103 VanDerWaalsContact O-N 3.08Å; K78-D180 VanDerWaalsContact CA-OD2 3.27Å; K78-D180 WeakPolarHBondContact CA-OD2 3.11Å; K78-D180 HydrophobicContact CD-CB 4.32Å; K78-D180 WeakPolarHBondContact CD-OD1 3.31Å; K78-D180 IonicContact NZ-OD1 3.54Å; K78-D180 PolarHBondContact NZ-OD1 3.01Å; K78-D180 VanDerWaalsContact NZ-OD1 3.11Å; K78-L277 HydrophobicContact CB-CD1 4.11Å; K78-L277 HydrophobicContact CD-CD2 4.26Å; K78-L277 HydrophobicContact CG-CB 4.31Å; K78-L277 HydrophobicContact CG-CD1 4.21Å; K78-L277 HydrophobicContact CG-CD2 4.4Å
79T98.6Very high97.2Very high0 Ų025.7 Ų25.70%015%0.145CC..EExtended strand (participates in β ladder)trans-114126169.3-59.80000111R103 I105 G171 G172 L173 I179 D180 L181T79-R103 WeakPolarHBondContact CA-O 3.45Å; T79-R103 HydrophobicContact CG2-CB 3.96Å; T79-R103 HydrophobicContact CG2-CG 4Å; T79-I105 HydrophobicContact CG2-CD1 4.24Å; T79-I105 HydrophobicContact CG2-CG1 4.29Å; T79-G171 WeakPolarHBondContact CG2-O 3.32Å; T79-G172 VanDerWaalsContact OG1-C 3.31Å; T79-L173 PolarHBondContact OG1-N 2.91Å; T79-I179 HydrophobicContact CG2-CB 4.19Å; T79-I179 HydrophobicContact CG2-CG2 3.81Å; T79-D180 PolarHBondContact N-OD2 3.32Å; T79-D180 PolarHBondContact O-N 3.23Å; T79-L181 PolarHBondContact O-N 2.79Å
80V98.8Very high97.3Very high0 Ų025.7 Ų25.70%015%0.145CC..EExtended strand (participates in β ladder)trans-116.1137.3174.31770000110I82 L96 I101 R103 L104 I105 L181 L183 T273 L277V80-I82 HydrophobicContact CG1-CG1 4.3Å; V80-L96 HydrophobicContact CB-CD1 4.32Å; V80-L96 HydrophobicContact CG1-CD1 3.94Å; V80-I101 HydrophobicContact CG2-CD1 3.86Å; V80-I101 HydrophobicContact CG2-CG1 4.29Å; V80-R103 PolarHBondContact N-O 2.7Å; V80-L104 HydrophobicContact CB-CD1 3.99Å; V80-L104 HydrophobicContact CG1-CD1 4.22Å; V80-L104 WeakPolarHBondContact O-CA 3.26Å; V80-I105 PolarHBondContact O-N 2.96Å; V80-L181 WeakPolarHBondContact CA-O 3.16Å; V80-L181 HydrophobicContact CG2-CB 4.39Å; V80-L183 HydrophobicContact CG1-CD1 3.68Å; V80-L183 HydrophobicContact CG1-CG 3.7Å; V80-T273 HydrophobicContact CG2-CG2 4.41Å; V80-L277 HydrophobicContact CG2-CD1 3.96Å
81V98.8Very high97.6Very high0 Ų020.3 Ų20.30%011%0.112CC..EExtended strand (participates in β ladder)trans-99.7133.3168.4176.30000108.8V83 I105 F107 L168 I179 L181 V182 L183V81-V83 HydrophobicContact CG1-CG2 4.12Å; V81-I105 CarbonylContact C-O 3.41Å; V81-I105 WeakPolarHBondContact CA-O 3.4Å; V81-I105 HydrophobicContact CG2-CB 4.04Å; V81-I105 HydrophobicContact CG2-CD1 4.21Å; V81-I105 HydrophobicContact CG2-CG1 4.43Å; V81-F107 HydrophobicContact CG1-CD2 3.56Å; V81-F107 HydrophobicContact CG1-CE2 3.53Å; V81-L168 HydrophobicContact CB-CD2 4.29Å; V81-L168 HydrophobicContact CG1-CD2 4.12Å; V81-L168 HydrophobicContact CG2-CD2 3.9Å; V81-I179 HydrophobicContact CB-CD1 4.01Å; V81-I179 HydrophobicContact CG2-CB 4.29Å; V81-I179 HydrophobicContact CG2-CD1 3.34Å; V81-I179 HydrophobicContact CG2-CG1 4.38Å; V81-I179 HydrophobicContact CG2-CG2 3.83Å; V81-L181 PolarHBondContact N-O 3.09Å; V81-V182 HydrophobicContact CB-CB 4.48Å; V81-V182 HydrophobicContact CB-CG1 4.31Å; V81-V182 HydrophobicContact CB-CG2 4.22Å; V81-V182 HydrophobicContact CG1-CG1 4.25Å; V81-V182 CarbonylContact O-C 3.53Å; V81-V182 WeakPolarHBondContact O-CA 3.32Å; V81-L183 PolarHBondContact O-N 2.93Å
82I98.9Very high97.8Very high0 Ų017.6 Ų17.60%010%0.097CC..EExtended strand (participates in β ladder)trans-115.7125170.1-56.4178.9000108.6V80 I85 T92 A93 L96 L104 I105 L106 F107 L183 C185V80-I82 HydrophobicContact CG1-CG1 4.3Å; I82-I85 HydrophobicContact CB-CD1 4.03Å; I82-I85 HydrophobicContact CG2-CD1 3.64Å; I82-T92 HydrophobicContact CD1-CG2 3.91Å; I82-A93 HydrophobicContact CD1-CB 3.71Å; I82-L96 HydrophobicContact CD1-CD1 4.21Å; I82-L104 HydrophobicContact CD1-CD1 3.78Å; I82-L104 HydrophobicContact CD1-CD2 4.18Å; I82-L104 HydrophobicContact CD1-CG 4.35Å; I82-L104 HydrophobicContact CG1-CD1 3.96Å; I82-I105 PolarHBondContact N-O 3.34Å; I82-L106 HydrophobicContact CB-CD2 4.28Å; I82-L106 HydrophobicContact CD1-CD2 4.44Å; I82-F107 PolarHBondContact O-N 3.32Å; I82-L183 WeakPolarHBondContact CA-O 3.31Å; I82-L183 HydrophobicContact CG1-CB 4.3Å; I82-L183 HydrophobicContact CG1-CD1 4.27Å; I82-C185 HydrophobicContact CG2-CB 4.47Å
83V98.8Very high97.9Very high5 Ų517.4 Ų17.43%0.0310%0.096CC..EExtended strand (participates in β ladder)trans-107.8122.1173.2-168.90000109.1V81 F107 I155 F164 V182 L183 C185 V186 I195V81-V83 HydrophobicContact CG1-CG2 4.12Å; V83-F107 HydrophobicContact CB-CB 4.49Å; V83-F107 HydrophobicContact CG1-CB 4.14Å; V83-F107 HydrophobicContact CG2-CB 4.36Å; V83-F107 HydrophobicContact CG2-CD2 4.33Å; V83-I155 HydrophobicContact CG1-CD1 3.71Å; V83-I155 HydrophobicContact CG1-CG1 4.35Å; V83-F164 HydrophobicContact CG2-CE2 3.86Å; V83-F164 HydrophobicContact CG2-CZ 4.02Å; V83-V182 HydrophobicContact CG2-CG1 4.16Å; V83-L183 PolarHBondContact N-O 2.76Å; V83-C185 CarbonylContact O-C 3.52Å; V83-C185 WeakPolarHBondContact O-CA 3.36Å; V83-C185 PolarHBondContact O-N 3.12Å; V83-V186 HydrophobicContact CB-CG1 4.2Å; V83-V186 HydrophobicContact CG1-CG1 3.69Å; V83-V186 WeakPolarHBondContact O-CG1 3.49Å; V83-V186 PolarHBondContact O-N 3.02Å; V83-I195 HydrophobicContact CB-CD1 3.77Å; V83-I195 HydrophobicContact CB-CG1 4.5Å; V83-I195 HydrophobicContact CG1-CD1 3.85Å; V83-I195 HydrophobicContact CG1-CG1 4.44Å; V83-I195 HydrophobicContact CG2-CD1 4.05Å; V83-I195 HydrophobicContact CG2-CG1 4.3Å
84G98.4Very high98Very high8 Ų817.8 Ų17.88%0.0829%0.092CC..  trans87.9104.2-171.700000111.3G86 G89 F107 C185G84-G86 VanDerWaalsContact C-N 3.3Å; G84-G86 PolarHBondContact O-N 3.08Å; G84-G89 WeakPolarHBondContact O-CA 3.24Å; G84-F107 PolarHBondContact N-O 3.44Å; G84-C185 WeakPolarHBondContact O-CB 3.34Å
85I98.1Very high98.1Very high0 Ų017.9 Ų17.90%09%0.091CC..  trans-100.651.1174.5-49.5-55.7000108.9I82 L106 D108 F122 K131 V132 A135I82-I85 HydrophobicContact CB-CD1 4.03Å; I82-I85 HydrophobicContact CG2-CD1 3.64Å; I85-L106 HydrophobicContact CD1-CB 4.07Å; I85-L106 HydrophobicContact CD1-CD2 3.74Å; I85-L106 HydrophobicContact CD1-CG 4.35Å; I85-L106 HydrophobicContact CG1-CB 4.15Å; I85-D108 WeakPolarHBondContact CA-OD2 3.22Å; I85-D108 HydrophobicContact CB-CB 4.22Å; I85-D108 HydrophobicContact CG1-CB 4.16Å; I85-D108 PolarHBondContact N-OD2 3.33Å; I85-F122 HydrophobicContact CG2-CE2 4.49Å; I85-F122 HydrophobicContact CG2-CZ 3.87Å; I85-F122 VanDerWaalsContact O-CE2 3.29Å; I85-F122 WeakPolarHBondContact O-CE2 3.28Å; I85-K131 HydrophobicContact CB-CB 4.38Å; I85-K131 WeakPolarHBondContact O-CD 3.29Å; I85-V132 HydrophobicContact CG1-CG1 4.11Å; I85-A135 HydrophobicContact CG2-CB 3.74Å
86G95.8Very high98.1Very high16 Ų1617.9 Ų17.917%0.1659%0.091CC..SBendtrans-87.4-151.8171.700000112.2G84 V88 S90G84-G86 VanDerWaalsContact C-N 3.3Å; G84-G86 PolarHBondContact O-N 3.08Å; G86-V88 VanDerWaalsContact C-N 3.33Å; G86-V88 PolarHBondContact O-N 3.37Å; G86-S90 WeakPolarHBondContact O-CB 3.34Å; G86-S90 PolarHBondContact O-N 2.87Å; G86-S90 PolarHBondContact O-OG 2.99Å
87G95.2Very high98.2Very high6 Ų615.7 Ų15.76%0.0628%0.083CC..Hα-helixtrans-64.4-31-17700000115.1V91G87-V91 WeakPolarHBondContact O-CG2 3.28Å
88V97.8Very high98.3Very high15 Ų1516.3 Ų16.39%0.0918%0.08CC..Hα-helixtrans-85.2-49.3175.2177.90000110.8G86 S90 V91 T92 C185 V211 M262 V265 S266G86-V88 VanDerWaalsContact C-N 3.33Å; G86-V88 PolarHBondContact O-N 3.37Å; V88-S90 PolarHBondContact O-N 2.79Å; V88-V91 PolarHBondContact O-N 3.33Å; V88-T92 VanDerWaalsContact O-CB 3.29Å; V88-T92 WeakPolarHBondContact O-CB 3.39Å; V88-T92 PolarHBondContact O-N 3.07Å; V88-T92 PolarHBondContact O-OG1 3.48Å; V88-C185 HydrophobicContact CB-CB 4.33Å; V88-C185 HydrophobicContact CG1-CB 4.28Å; V88-V211 HydrophobicContact CG2-CG2 3.99Å; V88-M262 HydrophobicContact CG2-CB 4.41Å; V88-M262 HydrophobicContact CG2-CG 4.28Å; V88-V265 HydrophobicContact CB-CG1 4.31Å; V88-V265 HydrophobicContact CG1-CG1 3.88Å; V88-V265 HydrophobicContact CG2-CG1 3.47Å; V88-V265 VanDerWaalsContact CG2-CG1 3.47Å; V88-S266 WeakPolarHBondContact CA-OG 3.32Å; V88-S266 PolarHBondContact O-OG 2.93Å; V88-S266 VanDerWaalsContact O-OG 3.05Å
89G98.4Very high98.3Very high0 Ų015 Ų150%08%0.077CC..Hα-helixtrans-66.7-34-174.200000114.2G84 T92 A93G84-G89 WeakPolarHBondContact O-CA 3.24Å; G89-T92 PolarHBondContact O-N 3.49Å; G89-A93 VanDerWaalsContact O-CB 3.28Å; G89-A93 WeakPolarHBondContact O-CB 3.42Å; G89-A93 PolarHBondContact O-N 3.48Å
90S98.3Very high98.2Very high0 Ų015 Ų150%08%0.077CC..Hα-helixtrans-66.2-45.2178.368.20000112.3G86 V88 A93 E94 F121G86-S90 WeakPolarHBondContact O-CB 3.34Å; G86-S90 PolarHBondContact O-N 2.87Å; G86-S90 PolarHBondContact O-OG 2.99Å; V88-S90 PolarHBondContact O-N 2.79Å; S90-A93 PolarHBondContact O-N 3.29Å; S90-E94 PolarHBondContact O-N 3.29Å; S90-F121 WeakPolarHBondContact OG-CB 3.28Å
91V98.5Very high98.2Very high9 Ų915.1 Ų15.16%0.0558%0.077CC..Hα-helixtrans-67.7-41.4175.8179.50000110.8G87 V88 A93 E94 M95 L120G87-V91 WeakPolarHBondContact O-CG2 3.28Å; V88-V91 PolarHBondContact O-N 3.33Å; V91-A93 VanDerWaalsContact C-N 3.33Å; V91-A93 PolarHBondContact O-N 2.98Å; V91-E94 PolarHBondContact O-N 2.89Å; V91-M95 HydrophobicContact CG1-CE 3.74Å; V91-M95 HydrophobicContact CG1-CG 4.45Å; V91-M95 HydrophobicContact CG1-SD 4.24Å; V91-M95 WeakPolarHBondContact O-CG 3.27Å; V91-M95 PolarHBondContact O-N 2.84Å; V91-L120 HydrophobicContact CG2-CB 3.68Å; V91-L120 HydrophobicContact CG2-CD1 4.12Å; V91-L120 HydrophobicContact CG2-CG 4.47Å
92T98.9Very high98.2Very high0 Ų015.4 Ų15.40%08%0.08CC..Hα-helixtrans-57.4-46.2174.4-62.80000111.3I82 V88 G89 M95 L96 L183 L269 V270I82-T92 HydrophobicContact CD1-CG2 3.91Å; V88-T92 VanDerWaalsContact O-CB 3.29Å; V88-T92 WeakPolarHBondContact O-CB 3.39Å; V88-T92 PolarHBondContact O-N 3.07Å; V88-T92 PolarHBondContact O-OG1 3.48Å; G89-T92 PolarHBondContact O-N 3.49Å; T92-M95 PolarHBondContact O-N 2.84Å; T92-L96 HydrophobicContact CG2-CD1 4.3Å; T92-L96 WeakPolarHBondContact O-CG 3.4Å; T92-L96 PolarHBondContact O-N 2.98Å; T92-L96 VanDerWaalsContact O-N 3.09Å; T92-L183 HydrophobicContact CG2-CD1 3.61Å; T92-L269 HydrophobicContact CG2-CD2 3.96Å; T92-V270 HydrophobicContact CG2-CG2 3.72Å
93A98.8Very high98.2Very high0 Ų016.7 Ų16.70%09%0.085CC..Hα-helixtrans-61.8-46.217700000111.7I82 G89 S90 V91 M95 L96 V97 L104 L106 L139I82-A93 HydrophobicContact CD1-CB 3.71Å; G89-A93 VanDerWaalsContact O-CB 3.28Å; G89-A93 WeakPolarHBondContact O-CB 3.42Å; G89-A93 PolarHBondContact O-N 3.48Å; S90-A93 PolarHBondContact O-N 3.29Å; V91-A93 VanDerWaalsContact C-N 3.33Å; V91-A93 PolarHBondContact O-N 2.98Å; A93-M95 PolarHBondContact O-N 3.08Å; A93-L96 PolarHBondContact O-N 3.03Å; A93-V97 WeakPolarHBondContact O-CB 3.49Å; A93-V97 VanDerWaalsContact O-CG2 3.23Å; A93-V97 WeakPolarHBondContact O-CG2 3.33Å; A93-V97 PolarHBondContact O-N 3.07Å; A93-L104 HydrophobicContact CB-CD2 3.78Å; A93-L106 HydrophobicContact CB-CD2 4.38Å; A93-L139 HydrophobicContact CB-CD1 3.73Å; A93-L139 HydrophobicContact CB-CD2 4.39Å
94E98.8Very high98.1Very high46 Ų4616.5 Ų16.522%0.2158%0.084CC..Hα-helixtrans-59.3-47.3177.3-178.4175.4170.300112.1S90 V91 L96 V97 R98 F121 L139 I142S90-E94 PolarHBondContact O-N 3.29Å; V91-E94 PolarHBondContact O-N 2.89Å; E94-L96 PolarHBondContact O-N 3.16Å; E94-V97 PolarHBondContact O-N 3.17Å; E94-R98 HydrophobicContact CG-CG 4.42Å; E94-R98 WeakPolarHBondContact O-CB 3.3Å; E94-R98 WeakPolarHBondContact O-CG 3.25Å; E94-R98 PolarHBondContact O-N 3.14Å; E94-R98 IonicContact OE1-CZ 3.23Å; E94-R98 IonicContact OE1-NE 3.05Å; E94-R98 PolarHBondContact OE1-NE 3.18Å; E94-R98 IonicContact OE1-NH2 3.2Å; E94-R98 PolarHBondContact OE1-NH2 3.27Å; E94-F121 HydrophobicContact CB-CD2 4.02Å; E94-F121 HydrophobicContact CB-CE2 4.1Å; E94-F121 WeakPolarHBondContact OE2-CD2 3.39Å; E94-L139 VanDerWaalsContact CA-CD2 3.45Å; E94-L139 HydrophobicContact CB-CD2 4.02Å; E94-I142 HydrophobicContact CG-CD1 3.99Å
95M98.8Very high98.2Very high57 Ų5716.1 Ų16.128%0.2818%0.08SC..Hα-helixtrans-61.1-46179.5-71.3-179.8172.800111.9V91 T92 A93 V97 R98 C99 S267 V270V91-M95 HydrophobicContact CG1-CE 3.74Å; V91-M95 HydrophobicContact CG1-CG 4.45Å; V91-M95 HydrophobicContact CG1-SD 4.24Å; V91-M95 WeakPolarHBondContact O-CG 3.27Å; V91-M95 PolarHBondContact O-N 2.84Å; T92-M95 PolarHBondContact O-N 2.84Å; A93-M95 PolarHBondContact O-N 3.08Å; M95-V97 VanDerWaalsContact C-N 3.35Å; M95-V97 PolarHBondContact O-N 2.95Å; M95-R98 PolarHBondContact O-N 3.33Å; M95-C99 PolarHBondContact O-N 3.12Å; M95-C99 PolarHBondContact O-SG 3.05Å; M95-S267 WeakPolarHBondContact CE-OG 3.23Å; M95-V270 HydrophobicContact CB-CB 4.33Å; M95-V270 HydrophobicContact CB-CG1 4Å; M95-V270 HydrophobicContact CB-CG2 3.92Å; M95-V270 HydrophobicContact SD-CB 4.32Å; M95-V270 HydrophobicContact SD-CG2 4.16Å
96L98.8Very high98.2Very high0 Ų016.1 Ų16.10%08%0.08CC..Hα-helixtrans-63.6-39.4177.2-73.1171.5000112.5V80 I82 T92 A93 E94 C99 G100 I101 L104 L183 V270 T273V80-L96 HydrophobicContact CB-CD1 4.32Å; V80-L96 HydrophobicContact CG1-CD1 3.94Å; I82-L96 HydrophobicContact CD1-CD1 4.21Å; T92-L96 HydrophobicContact CG2-CD1 4.3Å; T92-L96 WeakPolarHBondContact O-CG 3.4Å; T92-L96 PolarHBondContact O-N 2.98Å; T92-L96 VanDerWaalsContact O-N 3.09Å; A93-L96 PolarHBondContact O-N 3.03Å; E94-L96 PolarHBondContact O-N 3.16Å; L96-C99 WeakPolarHBondContact O-CB 3.46Å; L96-C99 PolarHBondContact O-N 2.99Å; L96-G100 PolarHBondContact O-N 3.19Å; L96-I101 HydrophobicContact CB-CB 4.34Å; L96-I101 HydrophobicContact CB-CG2 4.12Å; L96-I101 WeakPolarHBondContact O-CB 3.34Å; L96-I101 WeakPolarHBondContact O-CG2 3.34Å; L96-I101 PolarHBondContact O-N 2.62Å; L96-I101 VanDerWaalsContact O-N 3.15Å; L96-L104 HydrophobicContact CD1-CD1 4.11Å; L96-L183 HydrophobicContact CD1-CD1 3.84Å; L96-V270 HydrophobicContact CD2-CG1 4.01Å; L96-V270 HydrophobicContact CG-CG1 4.3Å; L96-V270 HydrophobicContact CG-CG2 4.27Å; L96-T273 HydrophobicContact CD2-CG2 3.96Å
97V98.6Very high98.3Very high0 Ų015.3 Ų15.30%07%0.072CC..Hα-helixtrans-65-41.8176.8166.80000111.1A93 E94 M95 C99 G100 L104 L139 I142 N143 V146 I148A93-V97 WeakPolarHBondContact O-CB 3.49Å; A93-V97 VanDerWaalsContact O-CG2 3.23Å; A93-V97 WeakPolarHBondContact O-CG2 3.33Å; A93-V97 PolarHBondContact O-N 3.07Å; E94-V97 PolarHBondContact O-N 3.17Å; M95-V97 VanDerWaalsContact C-N 3.35Å; M95-V97 PolarHBondContact O-N 2.95Å; V97-C99 VanDerWaalsContact C-N 3.32Å; V97-C99 PolarHBondContact O-N 3.38Å; V97-G100 PolarHBondContact O-N 3.34Å; V97-G100 VanDerWaalsContact O-N 3.13Å; V97-L104 HydrophobicContact CG2-CD2 3.87Å; V97-L139 HydrophobicContact CB-CD2 4.08Å; V97-L139 HydrophobicContact CG1-CB 4.32Å; V97-L139 HydrophobicContact CG1-CD2 4.34Å; V97-L139 WeakPolarHBondContact CG1-O 3.41Å; V97-L139 HydrophobicContact CG2-CB 4.12Å; V97-L139 HydrophobicContact CG2-CD1 4.35Å; V97-L139 HydrophobicContact CG2-CD2 3.95Å; V97-L139 HydrophobicContact CG2-CG 4.35Å; V97-I142 HydrophobicContact CG1-CB 4.38Å; V97-I142 HydrophobicContact CG1-CG2 4.14Å; V97-N143 HydrophobicContact CG1-CB 3.6Å; V97-N143 PolarHBondContact O-ND2 2.73Å; V97-V146 HydrophobicContact CB-CG2 4.44Å; V97-V146 HydrophobicContact CG1-CG2 4.12Å; V97-V146 HydrophobicContact CG2-CG1 4.13Å; V97-V146 HydrophobicContact CG2-CG2 4.45Å; V97-I148 HydrophobicContact CG2-CD1 4.46Å
98R98.4Very high98.5Very high136 Ų13615.7 Ų15.751%0.5137%0.072SC..Hα-helixtrans-66-32.8173.6-71179.2-177.8-72.40.1112.6L60 E94 M95 G100 I142L60-R98 WeakPolarHBondContact CD1-O 3.31Å; E94-R98 HydrophobicContact CG-CG 4.42Å; E94-R98 WeakPolarHBondContact O-CB 3.3Å; E94-R98 WeakPolarHBondContact O-CG 3.25Å; E94-R98 PolarHBondContact O-N 3.14Å; E94-R98 IonicContact OE1-CZ 3.23Å; E94-R98 IonicContact OE1-NE 3.05Å; E94-R98 PolarHBondContact OE1-NE 3.18Å; E94-R98 IonicContact OE1-NH2 3.2Å; E94-R98 PolarHBondContact OE1-NH2 3.27Å; M95-R98 PolarHBondContact O-N 3.33Å; R98-G100 PolarHBondContact O-N 2.91Å; R98-I142 HydrophobicContact CG-CG2 3.75Å
99C98.2Very high98.5Very high17 Ų1720 Ų2012%0.1159%0.088CC..Hα-helixtrans-69.2-15.7172.9-740000113.9Y72 M95 L96 V97 L274Y72-C99 WeakPolarHBondContact OH-CB 3.4Å; Y72-C99 PolarHBondContact OH-O 2.96Å; M95-C99 PolarHBondContact O-N 3.12Å; M95-C99 PolarHBondContact O-SG 3.05Å; L96-C99 WeakPolarHBondContact O-CB 3.46Å; L96-C99 PolarHBondContact O-N 2.99Å; V97-C99 VanDerWaalsContact C-N 3.32Å; V97-C99 PolarHBondContact O-N 3.38Å; C99-L274 HydrophobicContact CB-CD2 4.36Å
100G97.9Very high98.4Very high1 Ų122.6 Ų22.61%0.0110%0.102CC..THydrogen-bonded Turntrans86.632.7179.700000114.2R76 L96 V97 R98R76-G100 WeakPolarHBondContact CG-O 3.4Å; L96-G100 PolarHBondContact O-N 3.19Å; V97-G100 PolarHBondContact O-N 3.34Å; V97-G100 VanDerWaalsContact O-N 3.13Å; R98-G100 PolarHBondContact O-N 2.91Å
101I98.4Very high98.3Very high1 Ų128.7 Ų28.71%0.00513%0.128CC..  trans-51.7141.6173.4-166.470.2000111.4I75 K78 V80 L96 L104 V146 L277I75-I101 HydrophobicContact CD1-CD1 3.68Å; I75-I101 HydrophobicContact CG1-CD1 4.19Å; K78-I101 HydrophobicContact CB-CD1 3.59Å; V80-I101 HydrophobicContact CG2-CD1 3.86Å; V80-I101 HydrophobicContact CG2-CG1 4.29Å; L96-I101 HydrophobicContact CB-CB 4.34Å; L96-I101 HydrophobicContact CB-CG2 4.12Å; L96-I101 WeakPolarHBondContact O-CB 3.34Å; L96-I101 WeakPolarHBondContact O-CG2 3.34Å; L96-I101 PolarHBondContact O-N 2.62Å; L96-I101 VanDerWaalsContact O-N 3.15Å; I101-L104 HydrophobicContact CG2-CB 4.43Å; I101-V146 HydrophobicContact CG2-CG1 3.65Å; I101-V146 HydrophobicContact CG2-CG2 4.34Å; I101-V146 WeakPolarHBondContact O-CG1 3.46Å; I101-V146 VanDerWaalsContact O-CG2 3.28Å; I101-V146 WeakPolarHBondContact O-CG2 3.34Å; I101-L277 HydrophobicContact CD1-CD1 4.34Å
102G97.9Very high98.2Very high6 Ų628.3 Ų28.36%0.06213%0.126CC..SBendtrans-63.6-53.3-17800000113.3I75 R76 K78 Q147I75-G102 PolarHBondContact O-N 3.2Å; R76-G102 WeakPolarHBondContact O-CA 3.3Å; K78-G102 WeakPolarHBondContact O-CA 3.05Å; K78-G102 PolarHBondContact O-N 2.7Å; K78-G102 VanDerWaalsContact O-N 3.15Å; G102-Q147 PolarHBondContact O-N 2.99Å
103R98.3Very high98.1Very high28 Ų2833.8 Ų33.811%0.10615%0.152CC..EExtended strand (participates in β ladder)trans-140.2141.1179.1-177.1178.2-172.4154.512.5111.4K78 T79 V80 I105 Q147 E149 R167 G171 G172 L173K78-R103 PolarHBondContact O-N 3.43Å; K78-R103 VanDerWaalsContact O-N 3.08Å; T79-R103 WeakPolarHBondContact CA-O 3.45Å; T79-R103 HydrophobicContact CG2-CB 3.96Å; T79-R103 HydrophobicContact CG2-CG 4Å; V80-R103 PolarHBondContact N-O 2.7Å; R103-I105 HydrophobicContact CG-CG1 4.38Å; R103-Q147 CarbonylContact C-O 3.46Å; R103-Q147 VanDerWaalsContact CA-O 3.27Å; R103-Q147 WeakPolarHBondContact CA-O 3.43Å; R103-Q147 HydrophobicContact CB-CB 4.07Å; R103-Q147 HydrophobicContact CG-CB 3.98Å; R103-E149 IonicContact CZ-OE2 2.73Å; R103-E149 IonicContact NE-OE2 2.8Å; R103-E149 PolarHBondContact NE-OE2 3Å; R103-E149 IonicContact NH2-OE2 2.65Å; R103-E149 PolarHBondContact NH2-OE2 2.94Å; R103-R167 VanDerWaalsContact NH2-NH2 3.11Å; R103-G171 WeakPolarHBondContact CD-O 3.23Å; R103-G171 PolarHBondContact NE-O 3.02Å; R103-G172 PolarHBondContact NH1-O 3.47Å; R103-L173 HydrophobicContact CB-CD1 3.98Å
104L98.6Very high97.8Very high0 Ų039.2 Ų39.20%018%0.18CC..EExtended strand (participates in β ladder)trans-126.5124175.5-163.468.2000109.6V80 I82 A93 L96 V97 I101 L106 L139 V146 Q147 I148 E149V80-L104 HydrophobicContact CB-CD1 3.99Å; V80-L104 HydrophobicContact CG1-CD1 4.22Å; V80-L104 WeakPolarHBondContact O-CA 3.26Å; I82-L104 HydrophobicContact CD1-CD1 3.78Å; I82-L104 HydrophobicContact CD1-CD2 4.18Å; I82-L104 HydrophobicContact CD1-CG 4.35Å; I82-L104 HydrophobicContact CG1-CD1 3.96Å; A93-L104 HydrophobicContact CB-CD2 3.78Å; L96-L104 HydrophobicContact CD1-CD1 4.11Å; V97-L104 HydrophobicContact CG2-CD2 3.87Å; I101-L104 HydrophobicContact CG2-CB 4.43Å; L104-L106 HydrophobicContact CD2-CD2 3.65Å; L104-L106 HydrophobicContact CG-CD2 3.68Å; L104-L139 HydrophobicContact CD2-CD1 4.29Å; L104-V146 HydrophobicContact CB-CG1 4.37Å; L104-Q147 PolarHBondContact N-O 2.91Å; L104-I148 WeakPolarHBondContact O-CA 3.4Å; L104-E149 PolarHBondContact O-N 3.47Å
105I98.6Very high97.5Very high0 Ų040.6 Ų40.60%020%0.199CC..EExtended strand (participates in β ladder)trans-110.6124.6176.2-48.8-178.9000108.6T79 V80 V81 I82 R103 F107 E149 G171 I179T79-I105 HydrophobicContact CG2-CD1 4.24Å; T79-I105 HydrophobicContact CG2-CG1 4.29Å; V80-I105 PolarHBondContact O-N 2.96Å; V81-I105 CarbonylContact C-O 3.41Å; V81-I105 WeakPolarHBondContact CA-O 3.4Å; V81-I105 HydrophobicContact CG2-CB 4.04Å; V81-I105 HydrophobicContact CG2-CD1 4.21Å; V81-I105 HydrophobicContact CG2-CG1 4.43Å; I82-I105 PolarHBondContact N-O 3.34Å; R103-I105 HydrophobicContact CG-CG1 4.38Å; I105-F107 HydrophobicContact CB-CE2 4.38Å; I105-F107 HydrophobicContact CG2-CD2 4.25Å; I105-F107 HydrophobicContact CG2-CE2 3.46Å; I105-F107 VanDerWaalsContact CG2-CE2 3.46Å; I105-F107 HydrophobicContact CG2-CZ 3.79Å; I105-E149 CarbonylContact C-O 3.54Å; I105-E149 WeakPolarHBondContact CA-O 3.3Å; I105-E149 HydrophobicContact CB-CB 4.44Å; I105-E149 HydrophobicContact CG1-CB 4.19Å; I105-E149 HydrophobicContact CG2-CB 4.19Å; I105-E149 HydrophobicContact CG2-CG 4.16Å; I105-G171 WeakPolarHBondContact CD1-O 3.45Å; I105-I179 HydrophobicContact CD1-CG2 4.37Å
106L98.8Very high97.3Very high0 Ų038.8 Ų38.80%019%0.191CC..EExtended strand (participates in β ladder)trans-109.9130-173.6-50.1-179.6000110.2I82 I85 A93 L104 V132 A135 L139 I148 E149 H151I82-L106 HydrophobicContact CB-CD2 4.28Å; I82-L106 HydrophobicContact CD1-CD2 4.44Å; I85-L106 HydrophobicContact CD1-CB 4.07Å; I85-L106 HydrophobicContact CD1-CD2 3.74Å; I85-L106 HydrophobicContact CD1-CG 4.35Å; I85-L106 HydrophobicContact CG1-CB 4.15Å; A93-L106 HydrophobicContact CB-CD2 4.38Å; L104-L106 HydrophobicContact CD2-CD2 3.65Å; L104-L106 HydrophobicContact CG-CD2 3.68Å; L106-V132 HydrophobicContact CB-CB 4.42Å; L106-V132 HydrophobicContact CB-CG1 4.05Å; L106-A135 HydrophobicContact CD1-CB 4.12Å; L106-L139 HydrophobicContact CD1-CD1 4.1Å; L106-I148 HydrophobicContact CD1-CG2 3.99Å; L106-I148 HydrophobicContact CG-CG2 4.37Å; L106-E149 PolarHBondContact N-O 3.07Å; L106-H151 PolarHBondContact O-N 3.35Å
107F98.8Very high97Very high0 Ų041.5 Ų41.50%020%0.204CC..EExtended strand (participates in β ladder)trans-120.7124.6170.6-65.3-86.7000109.9V81 I82 V83 G84 I105 H151 Y153 I155 F164 R167V81-F107 HydrophobicContact CG1-CD2 3.56Å; V81-F107 HydrophobicContact CG1-CE2 3.53Å; I82-F107 PolarHBondContact O-N 3.32Å; V83-F107 HydrophobicContact CB-CB 4.49Å; V83-F107 HydrophobicContact CG1-CB 4.14Å; V83-F107 HydrophobicContact CG2-CB 4.36Å; V83-F107 HydrophobicContact CG2-CD2 4.33Å; G84-F107 PolarHBondContact N-O 3.44Å; I105-F107 HydrophobicContact CB-CE2 4.38Å; I105-F107 HydrophobicContact CG2-CD2 4.25Å; I105-F107 HydrophobicContact CG2-CE2 3.46Å; I105-F107 VanDerWaalsContact CG2-CE2 3.46Å; I105-F107 HydrophobicContact CG2-CZ 3.79Å; F107-H151 HydrophobicContact CD1-CB 3.42Å; F107-H151 VanDerWaalsContact CD1-CB 3.42Å; F107-H151 HydrophobicContact CE1-CB 3.43Å; F107-H151 VanDerWaalsContact CE1-CB 3.43Å; F107-H151 AromaticContact CE1-CD2 3.27Å; F107-H151 WeakPolarHBondContact CE1-CD2 3.31Å; F107-H151 AromaticContact CE1-CG 3.47Å; F107-H151 VanDerWaalsContact CE1-CG 3.47Å; F107-H151 HydrophobicContact CG-CB 4.31Å; F107-H151 HydrophobicContact CZ-CB 4.38Å; F107-H151 AromaticContact CZ-CD2 3.42Å; F107-H151 VanDerWaalsContact CZ-CD2 3.42Å; F107-H151 WeakPolarHBondContact CZ-CD2 3.46Å; F107-Y153 HydrophobicContact CD1-CE1 4.42Å; F107-Y153 HydrophobicContact CD1-CE2 4.13Å; F107-Y153 AromaticContact CD1-CZ 3.87Å; F107-Y153 HydrophobicContact CE1-CE1 4.2Å; F107-Y153 HydrophobicContact CE1-CE2 4.29Å; F107-Y153 AromaticContact CE1-CZ 3.64Å; F107-Y153 WeakPolarHBondContact CE1-OH 3.5Å; F107-I155 HydrophobicContact CB-CG2 4.22Å; F107-I155 HydrophobicContact CD1-CG2 4.05Å; F107-I155 HydrophobicContact CG-CG2 4.29Å; F107-F164 HydrophobicContact CD1-CD2 4.19Å; F107-F164 HydrophobicContact CD2-CD2 4.19Å; F107-F164 HydrophobicContact CD2-CE2 4.05Å; F107-F164 HydrophobicContact CE1-CD2 4.02Å; F107-F164 AromaticContact CE2-CD2 3.97Å; F107-F164 HydrophobicContact CE2-CD2 3.97Å; F107-F164 HydrophobicContact CE2-CE2 4.05Å; F107-F164 HydrophobicContact CG-CD2 4.3Å; F107-F164 HydrophobicContact CG-CE2 4.41Å; F107-F164 AromaticContact CZ-CD2 3.89Å; F107-F164 HydrophobicContact CZ-CD2 3.89Å; F107-F164 HydrophobicContact CZ-CE2 4.43Å; F107-R167 HydrophobicContact CZ-CB 3.97Å; F107-R167 HydrophobicContact CZ-CG 4.19Å
108D98.6Very high96.6Very high13 Ų1344.9 Ų44.97%0.0722%0.222CC..EExtended strand (participates in β ladder)trans-155.8162.5167.3-155.9-59.6000107.1I85 D110 K131 V132 H151 N152 Y153I85-D108 WeakPolarHBondContact CA-OD2 3.22Å; I85-D108 HydrophobicContact CB-CB 4.22Å; I85-D108 HydrophobicContact CG1-CB 4.16Å; I85-D108 PolarHBondContact N-OD2 3.33Å; D108-D110 WeakPolarHBondContact OD1-CB 3.33Å; D108-D110 PolarHBondContact OD1-N 3.32Å; D108-K131 HydrophobicContact CB-CB 4.29Å; D108-V132 HydrophobicContact CB-CG1 3.56Å; D108-V132 VanDerWaalsContact N-CG1 3.34Å; D108-H151 PolarHBondContact N-O 2.89Å; D108-N152 CarbonylContact O-C 3.51Å; D108-N152 WeakPolarHBondContact O-CA 3.48Å; D108-N152 PolarHBondContact O-OD1 2.89Å; D108-Y153 PolarHBondContact O-N 2.78Å
109Y97.2Very high96.2Very high107 Ų10741 Ų4142%0.4221%0.207SC..  trans-121.8-8.5175.764.1-97.7000113N154Y109-N154 HydrophobicContact CD1-CB 3.88Å; Y109-N154 HydrophobicContact CG-CB 4.04Å
110D96.4Very high96.1Very high53 Ų5344.1 Ų44.128%0.28322%0.222SC..PPolyproline II helixtrans-85.9168.2-176-78.7-20.2000112.8D108 K131D108-D110 WeakPolarHBondContact OD1-CB 3.33Å; D108-D110 PolarHBondContact OD1-N 3.32Å; D110-K131 HydrophobicContact CB-CD 3.71Å; D110-K131 VanDerWaalsContact CB-CE 3.42Å; D110-K131 HydrophobicContact CB-CG 4.3Å; D110-K131 PolarHBondContact O-N 3.28Å; D110-K131 IonicContact OD2-NZ 3.28Å; D110-K131 PolarHBondContact OD2-NZ 3.18Å
111K97.3Very high96.1Very high128 Ų12845.2 Ų45.256%0.55723%0.227SC*.BIsolated β-bridgetrans-101.8158.4168.9-65.3178.3-179.9-179.50111.1L129 K131K111-L129 CarbonylContact C-O 3.6Å; K111-L129 WeakPolarHBondContact CA-O 3.14Å; K111-L129 WeakPolarHBondContact CB-O 3.36Å; K111-K131 WeakPolarHBondContact O-CE 3.48Å
112V96.9Very high96Very high1 Ų146 Ų461%0.00623%0.23CC..PPolyproline II helixtrans-71.3127.9169.2-178.50000108.4M117 F122 Q126 S127 G128 L129 K131 A134V112-M117 HydrophobicContact CG1-CE 4.1Å; V112-F122 HydrophobicContact CG1-CB 3.99Å; V112-F122 HydrophobicContact CG1-CD1 4.38Å; V112-F122 HydrophobicContact CG1-CG 4.16Å; V112-F122 HydrophobicContact CG2-CD1 3.59Å; V112-F122 HydrophobicContact CG2-CE1 3.7Å; V112-F122 HydrophobicContact CG2-CG 4.05Å; V112-F122 HydrophobicContact CG2-CZ 4.23Å; V112-Q126 WeakPolarHBondContact CB-O 3.48Å; V112-Q126 HydrophobicContact CG1-CB 4.41Å; V112-S127 WeakPolarHBondContact O-CA 3.4Å; V112-G128 PolarHBondContact O-N 2.96Å; V112-L129 PolarHBondContact N-O 2.91Å; V112-K131 HydrophobicContact CG2-CG 4.12Å; V112-A134 HydrophobicContact CG2-CB 3.96Å
113E95.4Very high96Very high116 Ų11650.4 Ų50.454%0.54225%0.249SC..  trans-118.7154.2175.1-61.2-175.7159.800110.8A115 N116E113-A115 PolarHBondContact O-N 2.99Å; E113-N116 PolarHBondContact N-OD1 2.82Å; E113-N116 VanDerWaalsContact O-CB 3.32Å; E113-N116 WeakPolarHBondContact O-CB 3.31Å; E113-N116 PolarHBondContact O-N 2.85Å; E113-N116 PolarHBondContact O-OD1 2.89Å
114L93.9Very high95.9Very high114 Ų11453.1 Ų53.160%0.59727%0.271SS*.G310 helixtrans-59.1-29.5173.5-70.7178.3000112.5N116 M117 P124L114-N116 PolarHBondContact O-N 2.99Å; L114-N116 VanDerWaalsContact O-N 3.12Å; L114-M117 HydrophobicContact CD2-CG 4.38Å; L114-M117 WeakPolarHBondContact O-CB 3.01Å; L114-M117 WeakPolarHBondContact O-CG 3.31Å; L114-M117 PolarHBondContact O-N 3.35Å; L114-M117 VanDerWaalsContact O-N 3.09Å; L114-P124 HydrophobicContact CD2-CB 4.32Å
115A92.4Very high95.7Very high74 Ų7459.9 Ų59.961%0.61230%0.302SS*.G310 helixtrans-62-15.8173.800000113.2E113 N118E113-A115 PolarHBondContact O-N 2.99Å; A115-N118 PolarHBondContact O-OD1 2.98Å
116N93Very high95.6Very high20 Ų2060.3 Ų60.311%0.10730%0.304CS..G310 helixtrans-86.9-6177.4-49.7146.7000113.3E113 L114 N118 R119E113-N116 PolarHBondContact N-OD1 2.82Å; E113-N116 VanDerWaalsContact O-CB 3.32Å; E113-N116 WeakPolarHBondContact O-CB 3.31Å; E113-N116 PolarHBondContact O-N 2.85Å; E113-N116 PolarHBondContact O-OD1 2.89Å; L114-N116 PolarHBondContact O-N 2.99Å; L114-N116 VanDerWaalsContact O-N 3.12Å; N116-N118 PolarHBondContact O-N 2.97Å; N116-R119 WeakPolarHBondContact O-CB 3.39Å; N116-R119 PolarHBondContact O-N 3.49Å
117M93.6Very high95.5Very high56 Ų5662.9 Ų62.928%0.27632%0.322SS..THydrogen-bonded Turntrans-71.7-7.7-175.2-62.4-63.3100.300114.2V112 L114 R119 F122 Q123 P124V112-M117 HydrophobicContact CG1-CE 4.1Å; L114-M117 HydrophobicContact CD2-CG 4.38Å; L114-M117 WeakPolarHBondContact O-CB 3.01Å; L114-M117 WeakPolarHBondContact O-CG 3.31Å; L114-M117 PolarHBondContact O-N 3.35Å; L114-M117 VanDerWaalsContact O-N 3.09Å; M117-R119 PolarHBondContact O-N 3.32Å; M117-F122 HydrophobicContact CE-CB 3.73Å; M117-Q123 VanDerWaalsContact SD-C 3.51Å; M117-P124 HydrophobicContact CG-CG 4.41Å; M117-P124 HydrophobicContact SD-CB 4.3Å; M117-P124 VanDerWaalsContact SD-CD 3.59Å; M117-P124 HydrophobicContact SD-CG 3.77Å; M117-P124 VanDerWaalsContact SD-N 3.37Å
118N89.7Confident95.3Very high71 Ų7165.1 Ų65.138%0.3835%0.345SS..THydrogen-bonded Turntrans-74.7-10.1168.373.7-60.6000112.6A115 N116 S257 P259A115-N118 PolarHBondContact O-OD1 2.98Å; N116-N118 PolarHBondContact O-N 2.97Å; N118-S257 PolarHBondContact ND2-O 3.49Å; N118-S257 PolarHBondContact ND2-OG 3.42Å; N118-P259 WeakPolarHBondContact O-CD 3.35Å
119R90.8Very high95.3Very high56 Ų5668.8 Ų68.821%0.21136%0.364CS..SBendtrans-106.7164.9179.7-51.6172.3-174.4176.3-3.1109.3N116 M117 S257 M262N116-R119 WeakPolarHBondContact O-CB 3.39Å; N116-R119 PolarHBondContact O-N 3.49Å; M117-R119 PolarHBondContact O-N 3.32Å; R119-S257 PolarHBondContact NE-OG 3.42Å; R119-S257 PolarHBondContact NH2-OG 3.34Å; R119-M262 HydrophobicContact CB-SD 4.22Å; R119-M262 HydrophobicContact CG-CE 4.37Å; R119-M262 HydrophobicContact CG-SD 3.66Å
120L94.8Very high95.3Very high82 Ų8264.8 Ų64.843%0.42935%0.352SS..SBendtrans-77.3173.5-179.2-58.6177.7000111.8V91 F122 P259 A263V91-L120 HydrophobicContact CG2-CB 3.68Å; V91-L120 HydrophobicContact CG2-CD1 4.12Å; V91-L120 HydrophobicContact CG2-CG 4.47Å; L120-F122 PolarHBondContact O-N 2.95Å; L120-P259 HydrophobicContact CD2-CB 4.35Å; L120-P259 HydrophobicContact CG-CB 4.19Å; L120-A263 HydrophobicContact CD1-CB 3.96Å
121F97.8Very high95.4Very high23 Ų2363 Ų6310%0.10134%0.341CS..SBendtrans80.2-65.3172.6-173.9-92.3000116.7S90 E94 A135 T138 L139S90-F121 WeakPolarHBondContact OG-CB 3.28Å; E94-F121 HydrophobicContact CB-CD2 4.02Å; E94-F121 HydrophobicContact CB-CE2 4.1Å; E94-F121 WeakPolarHBondContact OE2-CD2 3.39Å; F121-A135 HydrophobicContact CE1-CB 3.65Å; F121-A135 HydrophobicContact CZ-CB 3.81Å; F121-T138 HydrophobicContact CE2-CG2 3.97Å; F121-T138 HydrophobicContact CZ-CG2 3.99Å; F121-L139 HydrophobicContact CE2-CD2 3.66Å; F121-L139 HydrophobicContact CE2-CG 4.04Å; F121-L139 HydrophobicContact CZ-CD1 4.4Å; F121-L139 HydrophobicContact CZ-CD2 4.06Å; F121-L139 HydrophobicContact CZ-CG 3.91Å
122F97.5Very high95.5Very high18 Ų1857 Ų578%0.07932%0.316CS..  trans-72.4148.8-175.7-65.9-67.3000111.8I85 V112 M117 L120 K131 A134 A135I85-F122 HydrophobicContact CG2-CE2 4.49Å; I85-F122 HydrophobicContact CG2-CZ 3.87Å; I85-F122 VanDerWaalsContact O-CE2 3.29Å; I85-F122 WeakPolarHBondContact O-CE2 3.28Å; V112-F122 HydrophobicContact CG1-CB 3.99Å; V112-F122 HydrophobicContact CG1-CD1 4.38Å; V112-F122 HydrophobicContact CG1-CG 4.16Å; V112-F122 HydrophobicContact CG2-CD1 3.59Å; V112-F122 HydrophobicContact CG2-CE1 3.7Å; V112-F122 HydrophobicContact CG2-CG 4.05Å; V112-F122 HydrophobicContact CG2-CZ 4.23Å; M117-F122 HydrophobicContact CE-CB 3.73Å; L120-F122 PolarHBondContact O-N 2.95Å; F122-K131 HydrophobicContact CE1-CB 4.5Å; F122-K131 HydrophobicContact CE2-CG 4.3Å; F122-K131 HydrophobicContact CZ-CB 3.83Å; F122-K131 HydrophobicContact CZ-CG 4.01Å; F122-A134 HydrophobicContact CD1-CB 4.09Å; F122-A134 HydrophobicContact CE1-CB 3.87Å; F122-A135 HydrophobicContact CE1-CB 4.32Å
123Q96.9Very high95.5Very high98 Ų9859.3 Ų59.346%0.45834%0.335SS..  trans-114.1154.5-179.2-60.1-172.626.900111.9M117 H125 Q126M117-Q123 VanDerWaalsContact SD-C 3.51Å; Q123-H125 PolarHBondContact O-N 3.46Å; Q123-H125 VanDerWaalsContact O-N 3.12Å; Q123-H125 PolarHBondContact OE1-CE1 3.37Å; Q123-H125 PolarHBondContact OE1-ND1 2.88Å; Q123-Q126 HydrophobicContact CB-CG 4.44Å; Q123-Q126 WeakPolarHBondContact O-CB 3.46Å; Q123-Q126 PolarHBondContact O-N 3.15Å
124P96.2Very high95.6Very high86 Ų8653.9 Ų53.956%0.55831%0.31SS*.G310 helixtrans-56.3-35.4-175.2-28.935.3000114.5L114 M117 Q126 S127L114-P124 HydrophobicContact CD2-CB 4.32Å; M117-P124 HydrophobicContact CG-CG 4.41Å; M117-P124 HydrophobicContact SD-CB 4.3Å; M117-P124 VanDerWaalsContact SD-CD 3.59Å; M117-P124 HydrophobicContact SD-CG 3.77Å; M117-P124 VanDerWaalsContact SD-N 3.37Å; P124-Q126 PolarHBondContact O-N 3.37Å; P124-S127 WeakPolarHBondContact O-CB 3.26Å; P124-S127 PolarHBondContact O-N 3.48Å
125H95.3Very high95.8Very high142 Ų14248.4 Ų48.466%0.65728%0.281SS*.G310 helixtrans-69.4-12.5-18072.3-96.9000113.7Q123Q123-H125 PolarHBondContact O-N 3.46Å; Q123-H125 VanDerWaalsContact O-N 3.12Å; Q123-H125 PolarHBondContact OE1-CE1 3.37Å; Q123-H125 PolarHBondContact OE1-ND1 2.88Å
126Q96.2Very high96.1Very high8 Ų845.8 Ų45.84%0.03726%0.26CS..G310 helixtrans-89.5-4.1178.3-58.6178.5-54.400112.6V112 Q123 P124 G128 L129 A134 T138V112-Q126 WeakPolarHBondContact CB-O 3.48Å; V112-Q126 HydrophobicContact CG1-CB 4.41Å; Q123-Q126 HydrophobicContact CB-CG 4.44Å; Q123-Q126 WeakPolarHBondContact O-CB 3.46Å; Q123-Q126 PolarHBondContact O-N 3.15Å; P124-Q126 PolarHBondContact O-N 3.37Å; Q126-G128 PolarHBondContact O-N 2.86Å; Q126-L129 HydrophobicContact CB-CD1 4.25Å; Q126-L129 WeakPolarHBondContact O-CB 3.34Å; Q126-L129 WeakPolarHBondContact O-CG 3.47Å; Q126-L129 PolarHBondContact O-N 2.83Å; Q126-L129 VanDerWaalsContact O-N 3.12Å; Q126-A134 HydrophobicContact CB-CB 4.22Å; Q126-T138 PolarHBondContact NE2-OG1 3.22Å
127S96.2Very high96.3Very high55 Ų5548.9 Ų48.939%0.38528%0.282SS..THydrogen-bonded Turntrans-54.1131.3179.1-173.30000111.5V112 P124V112-S127 WeakPolarHBondContact O-CA 3.4Å; P124-S127 WeakPolarHBondContact O-CB 3.26Å; P124-S127 PolarHBondContact O-N 3.48Å
128G96.2Very high96.4Very high47 Ų4747.5 Ų47.549%0.48528%0.277SS..THydrogen-bonded Turntrans92.4-15.2-177.900000115.4V112 Q126V112-G128 PolarHBondContact O-N 2.96Å; Q126-G128 PolarHBondContact O-N 2.86Å
129L96.7Very high96.8Very high90 Ų9044.1 Ų44.147%0.47126%0.259SS..SBendtrans-73.7155.1170-59.2179.1000110.4K111 V112 Q126 A134K111-L129 CarbonylContact C-O 3.6Å; K111-L129 WeakPolarHBondContact CA-O 3.14Å; K111-L129 WeakPolarHBondContact CB-O 3.36Å; V112-L129 PolarHBondContact N-O 2.91Å; Q126-L129 HydrophobicContact CB-CD1 4.25Å; Q126-L129 WeakPolarHBondContact O-CB 3.34Å; Q126-L129 WeakPolarHBondContact O-CG 3.47Å; Q126-L129 PolarHBondContact O-N 2.83Å; Q126-L129 VanDerWaalsContact O-N 3.12Å; L129-A134 HydrophobicContact CB-CB 4.21Å; L129-A134 HydrophobicContact CD1-CB 4.33Å
130S98.1Very high97.1Very high22 Ų2243.9 Ų43.915%0.15427%0.266CS..BIsolated β-bridgetrans-64.5142.7167.664.40000109.9V132 A133 A134 N152S130-V132 VanDerWaalsContact C-N 3.27Å; S130-V132 PolarHBondContact O-N 3.15Å; S130-A133 PolarHBondContact O-N 3.12Å; S130-A133 VanDerWaalsContact O-N 3.13Å; S130-A133 WeakPolarHBondContact OG-CB 3.19Å; S130-A133 PolarHBondContact OG-N 3.17Å; S130-A134 PolarHBondContact O-N 2.72Å; S130-N152 VanDerWaalsContact CB-CG 3.49Å; S130-N152 WeakPolarHBondContact CB-ND2 3.34Å; S130-N152 WeakPolarHBondContact CB-OD1 3.42Å
131K98.4Very high97.1Very high15 Ų1544.3 Ų44.37%0.06527%0.265CS..Hα-helixtrans-56.3-43.6-178.8-72.7-179.5-175.2161.40111.4I85 D108 D110 K111 V112 F122 A133 A135I85-K131 HydrophobicContact CB-CB 4.38Å; I85-K131 WeakPolarHBondContact O-CD 3.29Å; D108-K131 HydrophobicContact CB-CB 4.29Å; D110-K131 HydrophobicContact CB-CD 3.71Å; D110-K131 VanDerWaalsContact CB-CE 3.42Å; D110-K131 HydrophobicContact CB-CG 4.3Å; D110-K131 PolarHBondContact O-N 3.28Å; D110-K131 IonicContact OD2-NZ 3.28Å; D110-K131 PolarHBondContact OD2-NZ 3.18Å; K111-K131 WeakPolarHBondContact O-CE 3.48Å; V112-K131 HydrophobicContact CG2-CG 4.12Å; F122-K131 HydrophobicContact CE1-CB 4.5Å; F122-K131 HydrophobicContact CE2-CG 4.3Å; F122-K131 HydrophobicContact CZ-CB 3.83Å; F122-K131 HydrophobicContact CZ-CG 4.01Å; K131-A133 PolarHBondContact O-N 3.02Å; K131-A135 WeakPolarHBondContact O-CB 3.28Å; K131-A135 PolarHBondContact O-N 2.9Å
132V98.5Very high97.1Very high3 Ų345.1 Ų45.12%0.01827%0.27CS..Hα-helixtrans-66.2-35.3178.5-62.30000113.5I85 L106 D108 S130 A136 A150 N152I85-V132 HydrophobicContact CG1-CG1 4.11Å; L106-V132 HydrophobicContact CB-CB 4.42Å; L106-V132 HydrophobicContact CB-CG1 4.05Å; D108-V132 HydrophobicContact CB-CG1 3.56Å; D108-V132 VanDerWaalsContact N-CG1 3.34Å; S130-V132 VanDerWaalsContact C-N 3.27Å; S130-V132 PolarHBondContact O-N 3.15Å; V132-A136 VanDerWaalsContact O-CB 3.23Å; V132-A136 WeakPolarHBondContact O-CB 3.27Å; V132-A136 PolarHBondContact O-N 3.09Å; V132-A150 HydrophobicContact CB-CB 3.88Å; V132-A150 HydrophobicContact CG2-CB 4.13Å; V132-N152 HydrophobicContact CG2-CB 3.68Å
133A97.9Very high97Very high50 Ų5044.4 Ų44.441%0.41327%0.267SS..Hα-helixtrans-74.1-43.6179.200000111.4S130 K131 A135 A136 S137S130-A133 PolarHBondContact O-N 3.12Å; S130-A133 VanDerWaalsContact O-N 3.13Å; S130-A133 WeakPolarHBondContact OG-CB 3.19Å; S130-A133 PolarHBondContact OG-N 3.17Å; K131-A133 PolarHBondContact O-N 3.02Å; A133-A135 VanDerWaalsContact C-N 3.32Å; A133-A135 PolarHBondContact O-N 2.72Å; A133-A136 PolarHBondContact O-N 3.14Å; A133-S137 PolarHBondContact O-N 3.36Å
134A97.7Very high97Very high1 Ų140.6 Ų40.61%0.00825%0.251CS..Hα-helixtrans-59.6-45.4173.500000110.8V112 F122 Q126 L129 S130 S137 T138V112-A134 HydrophobicContact CG2-CB 3.96Å; F122-A134 HydrophobicContact CD1-CB 4.09Å; F122-A134 HydrophobicContact CE1-CB 3.87Å; Q126-A134 HydrophobicContact CB-CB 4.22Å; L129-A134 HydrophobicContact CB-CB 4.21Å; L129-A134 HydrophobicContact CD1-CB 4.33Å; S130-A134 PolarHBondContact O-N 2.72Å; A134-S137 PolarHBondContact O-N 3.01Å; A134-T138 PolarHBondContact O-N 3.31Å; A134-T138 VanDerWaalsContact O-N 3.08Å; A134-T138 PolarHBondContact O-OG1 3.44Å
135A98.4Very high97Very high0 Ų037.8 Ų37.80%023%0.231CC..Hα-helixtrans-64.6-47.5177.900000112.7I85 L106 F121 F122 K131 A133 S137 T138 L139I85-A135 HydrophobicContact CG2-CB 3.74Å; L106-A135 HydrophobicContact CD1-CB 4.12Å; F121-A135 HydrophobicContact CE1-CB 3.65Å; F121-A135 HydrophobicContact CZ-CB 3.81Å; F122-A135 HydrophobicContact CE1-CB 4.32Å; K131-A135 WeakPolarHBondContact O-CB 3.28Å; K131-A135 PolarHBondContact O-N 2.9Å; A133-A135 VanDerWaalsContact C-N 3.32Å; A133-A135 PolarHBondContact O-N 2.72Å; A135-S137 VanDerWaalsContact C-N 3.28Å; A135-S137 PolarHBondContact O-N 3.47Å; A135-T138 PolarHBondContact O-N 2.87Å; A135-L139 HydrophobicContact CB-CD1 4.32Å; A135-L139 VanDerWaalsContact O-CB 3.27Å; A135-L139 WeakPolarHBondContact O-CB 3.26Å; A135-L139 WeakPolarHBondContact O-CD1 3.15Å; A135-L139 WeakPolarHBondContact O-CG 3.25Å; A135-L139 PolarHBondContact O-N 3.26Å
136A98.2Very high97.1Very high19 Ų1931.3 Ų31.316%0.15720%0.201CC..Hα-helixtrans-57.1-43.2177.800000111.8V132 A133 S140 I148 A150V132-A136 VanDerWaalsContact O-CB 3.23Å; V132-A136 WeakPolarHBondContact O-CB 3.27Å; V132-A136 PolarHBondContact O-N 3.09Å; A133-A136 PolarHBondContact O-N 3.14Å; A136-S140 VanDerWaalsContact O-CB 3.3Å; A136-S140 WeakPolarHBondContact O-CB 3.37Å; A136-S140 PolarHBondContact O-N 3.42Å; A136-S140 PolarHBondContact O-OG 2.9Å; A136-S140 VanDerWaalsContact O-OG 3.09Å; A136-I148 HydrophobicContact CB-CG2 3.85Å; A136-A150 HydrophobicContact CB-CB 4.14Å
137S96.6Very high97.2Very high84 Ų8435.5 Ų35.559%0.58722%0.221SC*.Hα-helixtrans-62.1-47.3177.1-171.50000112.5A133 A134 A135 F141A133-S137 PolarHBondContact O-N 3.36Å; A134-S137 PolarHBondContact O-N 3.01Å; A135-S137 VanDerWaalsContact C-N 3.28Å; A135-S137 PolarHBondContact O-N 3.47Å; S137-F141 PolarHBondContact O-N 2.92Å
138T97Very high97.3Very high27 Ų2734.7 Ų34.717%0.16621%0.212CC..Hα-helixtrans-65.6-43.9179.5-63.10000111.6F121 Q126 A134 A135 F141 I142F121-T138 HydrophobicContact CE2-CG2 3.97Å; F121-T138 HydrophobicContact CZ-CG2 3.99Å; Q126-T138 PolarHBondContact NE2-OG1 3.22Å; A134-T138 PolarHBondContact O-N 3.31Å; A134-T138 VanDerWaalsContact O-N 3.08Å; A134-T138 PolarHBondContact O-OG1 3.44Å; A135-T138 PolarHBondContact O-N 2.87Å; T138-F141 WeakPolarHBondContact O-CB 3.13Å; T138-F141 PolarHBondContact O-N 3.34Å; T138-I142 HydrophobicContact CG2-CD1 3.96Å; T138-I142 WeakPolarHBondContact O-CG1 3.42Å; T138-I142 PolarHBondContact O-N 3.48Å
139L97.9Very high97.4Very high0 Ų034 Ų340%020%0.196CC..Hα-helixtrans-70.7-40.9-176.3-67170.6000112.4A93 E94 V97 L104 L106 F121 A135 F141 I142 N143 I148A93-L139 HydrophobicContact CB-CD1 3.73Å; A93-L139 HydrophobicContact CB-CD2 4.39Å; E94-L139 VanDerWaalsContact CA-CD2 3.45Å; E94-L139 HydrophobicContact CB-CD2 4.02Å; V97-L139 HydrophobicContact CB-CD2 4.08Å; V97-L139 HydrophobicContact CG1-CB 4.32Å; V97-L139 HydrophobicContact CG1-CD2 4.34Å; V97-L139 WeakPolarHBondContact CG1-O 3.41Å; V97-L139 HydrophobicContact CG2-CB 4.12Å; V97-L139 HydrophobicContact CG2-CD1 4.35Å; V97-L139 HydrophobicContact CG2-CD2 3.95Å; V97-L139 HydrophobicContact CG2-CG 4.35Å; L104-L139 HydrophobicContact CD2-CD1 4.29Å; L106-L139 HydrophobicContact CD1-CD1 4.1Å; F121-L139 HydrophobicContact CE2-CD2 3.66Å; F121-L139 HydrophobicContact CE2-CG 4.04Å; F121-L139 HydrophobicContact CZ-CD1 4.4Å; F121-L139 HydrophobicContact CZ-CD2 4.06Å; F121-L139 HydrophobicContact CZ-CG 3.91Å; A135-L139 HydrophobicContact CB-CD1 4.32Å; A135-L139 VanDerWaalsContact O-CB 3.27Å; A135-L139 WeakPolarHBondContact O-CB 3.26Å; A135-L139 WeakPolarHBondContact O-CD1 3.15Å; A135-L139 WeakPolarHBondContact O-CG 3.25Å; A135-L139 PolarHBondContact O-N 3.26Å; L139-F141 PolarHBondContact O-N 2.89Å; L139-I142 PolarHBondContact O-N 3.31Å; L139-I142 VanDerWaalsContact O-N 3.12Å; L139-N143 PolarHBondContact O-N 3.46Å; L139-I148 HydrophobicContact CB-CD1 3.24Å; L139-I148 HydrophobicContact CD1-CD1 4.34Å; L139-I148 HydrophobicContact CG-CD1 4.42Å
140S96.6Very high97.5Very high52 Ų5231.7 Ų31.736%0.36419%0.19SC..Hα-helixtrans-63.1-29.5174.1-680000112.2A136A136-S140 VanDerWaalsContact O-CB 3.3Å; A136-S140 WeakPolarHBondContact O-CB 3.37Å; A136-S140 PolarHBondContact O-N 3.42Å; A136-S140 PolarHBondContact O-OG 2.9Å; A136-S140 VanDerWaalsContact O-OG 3.09Å
141F95.4Very high97.5Very high90 Ų9032 Ų3240%0.39519%0.189SC..Hα-helixtrans-71.4-41.8171.9-179.7-103.5000112.2H38 I40 S137 T138 L139H38-F141 HydrophobicContact CB-CE2 3.79Å; H38-F141 HydrophobicContact CB-CZ 4.28Å; H38-F141 AromaticContact CD2-CZ 3.99Å; I40-F141 HydrophobicContact CG1-CD2 3.96Å; I40-F141 HydrophobicContact CG1-CE2 3.86Å; S137-F141 PolarHBondContact O-N 2.92Å; T138-F141 WeakPolarHBondContact O-CB 3.13Å; T138-F141 PolarHBondContact O-N 3.34Å; L139-F141 PolarHBondContact O-N 2.89Å
142I96.6Very high97.5Very high40 Ų4035.1 Ų35.121%0.20521%0.206CC..Hα-helixtrans-63.2-46.1179-71.7168.4000111.7E94 V97 R98 T138 L139E94-I142 HydrophobicContact CG-CD1 3.99Å; V97-I142 HydrophobicContact CG1-CB 4.38Å; V97-I142 HydrophobicContact CG1-CG2 4.14Å; R98-I142 HydrophobicContact CG-CG2 3.75Å; T138-I142 HydrophobicContact CG2-CD1 3.96Å; T138-I142 WeakPolarHBondContact O-CG1 3.42Å; T138-I142 PolarHBondContact O-N 3.48Å; L139-I142 PolarHBondContact O-N 3.31Å; L139-I142 VanDerWaalsContact O-N 3.12Å
143N96.7Very high97.5Very high4 Ų436.5 Ų36.52%0.02121%0.211CC..  trans-145.5100.2178.2-166.81.4000111.7R41 Y57 V97 L139 D145 V146R41-N143 PolarHBondContact NH1-OD1 3.5Å; R41-N143 VanDerWaalsContact NH1-OD1 3.09Å; Y57-N143 PolarHBondContact OH-ND2 3.13Å; Y57-N143 PolarHBondContact OH-OD1 3.48Å; Y57-N143 VanDerWaalsContact OH-OD1 3.09Å; V97-N143 HydrophobicContact CG1-CB 3.6Å; V97-N143 PolarHBondContact O-ND2 2.73Å; L139-N143 PolarHBondContact O-N 3.46Å; N143-D145 PolarHBondContact O-N 3.36Å; N143-D145 VanDerWaalsContact O-N 3.16Å; N143-D145 WeakPolarHBondContact OD1-CB 3.49Å; N143-D145 PolarHBondContact OD1-N 2.8Å; N143-D145 PolarHBondContact OD1-OD2 3.47Å; N143-V146 HydrophobicContact CB-CG2 4.08Å; N143-V146 PolarHBondContact O-N 3.11Å
144P96.1Very high97.5Very high18 Ų1835.9 Ų35.912%0.11720%0.201CC..THydrogen-bonded Turntrans-72.9-6-177.227.1-31.5000114I40 R41 K43 V146I40-P144 HydrophobicContact CG2-CG 4.31Å; R41-P144 WeakPolarHBondContact O-CG 3.42Å; K43-P144 WeakPolarHBondContact CE-O 3.45Å; K43-P144 HydrophobicContact CG-CB 4.12Å; K43-P144 HydrophobicContact CG-CG 4.39Å; K43-P144 PolarHBondContact NZ-O 3.09Å; P144-V146 VanDerWaalsContact C-N 3.29Å
145D96.9Very high97.5Very high27 Ų2736.1 Ų36.114%0.14420%0.202CC..THydrogen-bonded Turntrans-73.3-23.6174.8-60.9-33.9000112.5R41 K43 I44 Y57 R76 N143R41-D145 IonicContact CZ-OD2 3.42Å; R41-D145 IonicContact NH1-OD2 4Å; R41-D145 IonicContact NH2-OD2 2.77Å; R41-D145 PolarHBondContact NH2-OD2 3.02Å; K43-D145 WeakPolarHBondContact CA-OD1 3.44Å; K43-D145 WeakPolarHBondContact CB-OD1 3.46Å; I44-D145 PolarHBondContact N-OD1 3.31Å; Y57-D145 VanDerWaalsContact CE2-OD2 3.31Å; Y57-D145 WeakPolarHBondContact CE2-OD2 3.33Å; Y57-D145 WeakPolarHBondContact OH-CB 3.47Å; Y57-D145 PolarHBondContact OH-OD2 3.41Å; R76-D145 IonicContact NH2-OD1 3.19Å; R76-D145 IonicContact NH2-OD2 3.39Å; R76-D145 PolarHBondContact NH2-OD2 3.13Å; N143-D145 PolarHBondContact O-N 3.36Å; N143-D145 VanDerWaalsContact O-N 3.16Å; N143-D145 WeakPolarHBondContact OD1-CB 3.49Å; N143-D145 PolarHBondContact OD1-N 2.8Å; N143-D145 PolarHBondContact OD1-OD2 3.47Å
146V97.7Very high97.5Very high6 Ų637.4 Ų37.44%0.03621%0.21CC..SBendtrans-84.6130.7-176.4-1760000110.4V97 I101 L104 N143 P144 I148V97-V146 HydrophobicContact CB-CG2 4.44Å; V97-V146 HydrophobicContact CG1-CG2 4.12Å; V97-V146 HydrophobicContact CG2-CG1 4.13Å; V97-V146 HydrophobicContact CG2-CG2 4.45Å; I101-V146 HydrophobicContact CG2-CG1 3.65Å; I101-V146 HydrophobicContact CG2-CG2 4.34Å; I101-V146 WeakPolarHBondContact O-CG1 3.46Å; I101-V146 VanDerWaalsContact O-CG2 3.28Å; I101-V146 WeakPolarHBondContact O-CG2 3.34Å; L104-V146 HydrophobicContact CB-CG1 4.37Å; N143-V146 HydrophobicContact CB-CG2 4.08Å; N143-V146 PolarHBondContact O-N 3.11Å; P144-V146 VanDerWaalsContact C-N 3.29Å; V146-I148 HydrophobicContact CG1-CG1 4.13Å
147Q97.5Very high97.4Very high96 Ų9640 Ų4045%0.44922%0.221SC..EExtended strand (participates in β ladder)trans-79121171-61-177.119.400109.8G102 R103 L104G102-Q147 PolarHBondContact O-N 2.99Å; R103-Q147 CarbonylContact C-O 3.46Å; R103-Q147 VanDerWaalsContact CA-O 3.27Å; R103-Q147 WeakPolarHBondContact CA-O 3.43Å; R103-Q147 HydrophobicContact CB-CB 4.07Å; R103-Q147 HydrophobicContact CG-CB 3.98Å; L104-Q147 PolarHBondContact N-O 2.91Å
148I98.2Very high97.3Very high38 Ų3841.9 Ų41.920%0.19523%0.229CC..EExtended strand (participates in β ladder)trans-115.2126.6-178.8-52.5-173.6000109.9V97 L104 L106 A136 L139 V146V97-I148 HydrophobicContact CG2-CD1 4.46Å; L104-I148 WeakPolarHBondContact O-CA 3.4Å; L106-I148 HydrophobicContact CD1-CG2 3.99Å; L106-I148 HydrophobicContact CG-CG2 4.37Å; A136-I148 HydrophobicContact CB-CG2 3.85Å; L139-I148 HydrophobicContact CB-CD1 3.24Å; L139-I148 HydrophobicContact CD1-CD1 4.34Å; L139-I148 HydrophobicContact CG-CD1 4.42Å; V146-I148 HydrophobicContact CG1-CG1 4.13Å
149E98Very high97.3Very high31 Ų3147.9 Ų47.915%0.14526%0.255CS..EExtended strand (participates in β ladder)trans-119.4134.2174.5-177.7-178.7153.200109.1R103 L104 I105 L106 H151 R167R103-E149 IonicContact CZ-OE2 2.73Å; R103-E149 IonicContact NE-OE2 2.8Å; R103-E149 PolarHBondContact NE-OE2 3Å; R103-E149 IonicContact NH2-OE2 2.65Å; R103-E149 PolarHBondContact NH2-OE2 2.94Å; L104-E149 PolarHBondContact O-N 3.47Å; I105-E149 CarbonylContact C-O 3.54Å; I105-E149 WeakPolarHBondContact CA-O 3.3Å; I105-E149 HydrophobicContact CB-CB 4.44Å; I105-E149 HydrophobicContact CG1-CB 4.19Å; I105-E149 HydrophobicContact CG2-CB 4.19Å; I105-E149 HydrophobicContact CG2-CG 4.16Å; L106-E149 PolarHBondContact N-O 3.07Å; E149-H151 IonicContact OE1-CD2 2.99Å; E149-H151 IonicContact OE1-CE1 3.46Å; E149-H151 PolarHBondContact OE1-CE1 3.18Å; E149-H151 IonicContact OE1-NE2 3.62Å; E149-H151 PolarHBondContact OE1-NE2 2.86Å; E149-R167 VanDerWaalsContact CD-NH2 3.33Å; E149-R167 IonicContact OE1-CZ 2.8Å; E149-R167 VanDerWaalsContact OE1-CZ 3.28Å; E149-R167 IonicContact OE1-NE 3.64Å; E149-R167 PolarHBondContact OE1-NE 3.2Å; E149-R167 IonicContact OE1-NH2 3.97Å; E149-R167 PolarHBondContact OE1-NH2 3.15Å; E149-R167 VanDerWaalsContact OE1-NH2 3.1Å; E149-R167 IonicContact OE2-CZ 2.89Å; E149-R167 IonicContact OE2-NE 2.86Å; E149-R167 IonicContact OE2-NH2 3.6Å; E149-R167 PolarHBondContact OE2-NH2 3.49Å
150A98.3Very high97.3Very high42 Ų4249.3 Ų49.335%0.34726%0.263SS..EExtended strand (participates in β ladder)trans-130.5126.7-171.600000110.9V132 A136V132-A150 HydrophobicContact CB-CB 3.88Å; V132-A150 HydrophobicContact CG2-CB 4.13Å; A136-A150 HydrophobicContact CB-CB 4.14Å
151H98.6Very high97.3Very high28 Ų2849.2 Ų49.213%0.1326%0.256CS..EExtended strand (participates in β ladder)trans-121.9115.9-179.6-70.9-63.7000110.4L106 F107 D108 E149 Y153 H163L106-H151 PolarHBondContact O-N 3.35Å; F107-H151 HydrophobicContact CD1-CB 3.42Å; F107-H151 VanDerWaalsContact CD1-CB 3.42Å; F107-H151 HydrophobicContact CE1-CB 3.43Å; F107-H151 VanDerWaalsContact CE1-CB 3.43Å; F107-H151 AromaticContact CE1-CD2 3.27Å; F107-H151 WeakPolarHBondContact CE1-CD2 3.31Å; F107-H151 AromaticContact CE1-CG 3.47Å; F107-H151 VanDerWaalsContact CE1-CG 3.47Å; F107-H151 HydrophobicContact CG-CB 4.31Å; F107-H151 HydrophobicContact CZ-CB 4.38Å; F107-H151 AromaticContact CZ-CD2 3.42Å; F107-H151 VanDerWaalsContact CZ-CD2 3.42Å; F107-H151 WeakPolarHBondContact CZ-CD2 3.46Å; D108-H151 PolarHBondContact N-O 2.89Å; E149-H151 IonicContact OE1-CD2 2.99Å; E149-H151 IonicContact OE1-CE1 3.46Å; E149-H151 PolarHBondContact OE1-CE1 3.18Å; E149-H151 IonicContact OE1-NE2 3.62Å; E149-H151 PolarHBondContact OE1-NE2 2.86Å; H151-Y153 HydrophobicContact CB-CD1 3.94Å; H151-Y153 HydrophobicContact CB-CE1 3.54Å; H151-Y153 AromaticContact CG-CE1 3.81Å; H151-Y153 AromaticContact ND1-CE1 3.81Å; H151-Y153 PolarHBondContact O-N 2.8Å; H151-H163 AromaticContact CE1-CE1 3.36Å; H151-H163 PolarHBondContact CE1-CE1 2.65Å; H151-H163 AromaticContact CE1-NE2 3.94Å; H151-H163 AromaticContact ND1-CE1 3.46Å; H151-H163 PolarHBondContact ND1-CE1 3.18Å
152N98.4Very high97.4Very high81 Ų8150.6 Ų50.643%0.43327%0.267SS..EExtended strand (participates in β ladder)trans-99.771.6-177-172.543.2000111.7D108 S130 V132D108-N152 CarbonylContact O-C 3.51Å; D108-N152 WeakPolarHBondContact O-CA 3.48Å; D108-N152 PolarHBondContact O-OD1 2.89Å; S130-N152 VanDerWaalsContact CB-CG 3.49Å; S130-N152 WeakPolarHBondContact CB-ND2 3.34Å; S130-N152 WeakPolarHBondContact CB-OD1 3.42Å; V132-N152 HydrophobicContact CG2-CB 3.68Å
153Y98.3Very high97.4Very high32 Ų3252.2 Ų52.213%0.12527%0.274CS..SBendtrans-155.8158.9-18064.4-109.8000112.2F107 D108 H151 I155 N160 H163 F164F107-Y153 HydrophobicContact CD1-CE1 4.42Å; F107-Y153 HydrophobicContact CD1-CE2 4.13Å; F107-Y153 AromaticContact CD1-CZ 3.87Å; F107-Y153 HydrophobicContact CE1-CE1 4.2Å; F107-Y153 HydrophobicContact CE1-CE2 4.29Å; F107-Y153 AromaticContact CE1-CZ 3.64Å; F107-Y153 WeakPolarHBondContact CE1-OH 3.5Å; D108-Y153 PolarHBondContact O-N 2.78Å; H151-Y153 HydrophobicContact CB-CD1 3.94Å; H151-Y153 HydrophobicContact CB-CE1 3.54Å; H151-Y153 AromaticContact CG-CE1 3.81Å; H151-Y153 AromaticContact ND1-CE1 3.81Å; H151-Y153 PolarHBondContact O-N 2.8Å; Y153-I155 HydrophobicContact CD2-CG2 4.36Å; Y153-I155 HydrophobicContact CE2-CG2 3.91Å; Y153-I155 PolarHBondContact O-N 2.84Å; Y153-N160 HydrophobicContact CD2-CB 3.49Å; Y153-N160 VanDerWaalsContact CD2-CB 3.49Å; Y153-N160 VanDerWaalsContact CD2-CG 3.49Å; Y153-N160 HydrophobicContact CE2-CB 3.65Å; Y153-N160 HydrophobicContact CG-CB 4.31Å; Y153-H163 AromaticContact CE1-CE1 3.81Å; Y153-H163 AromaticContact CE1-ND1 3.29Å; Y153-H163 VanDerWaalsContact CE1-ND1 3.29Å; Y153-H163 WeakPolarHBondContact CE1-ND1 3.33Å; Y153-H163 AromaticContact CZ-ND1 3.37Å; Y153-H163 PolarHBondContact OH-ND1 2.83Å; Y153-F164 PolarHBondContact OH-N 2.99Å
154N98Very high97.5Very high38 Ų3852 Ų5220%0.20327%0.273CS..  trans-81.9116.5177.1179.95.7000110.6Y109 T156 L157 N160Y109-N154 HydrophobicContact CD1-CB 3.88Å; Y109-N154 HydrophobicContact CG-CB 4.04Å; N154-T156 PolarHBondContact ND2-OG1 2.84Å; N154-T156 PolarHBondContact O-N 2.92Å; N154-T156 WeakPolarHBondContact OD1-CG2 3.49Å; N154-T156 PolarHBondContact OD1-N 3.11Å; N154-T156 PolarHBondContact OD1-OG1 2.54Å; N154-L157 HydrophobicContact CB-CD1 4.12Å; N154-L157 HydrophobicContact CB-CG 4.09Å; N154-L157 PolarHBondContact O-N 2.77Å; N154-N160 VanDerWaalsContact O-CB 3.31Å; N154-N160 WeakPolarHBondContact O-CB 3.29Å; N154-N160 PolarHBondContact O-ND2 2.99Å
155I98.3Very high97.6Very high6 Ų651.9 Ų51.93%0.03127%0.271CS..THydrogen-bonded Turntrans-66.9-17.4-178.963.7156.8000113.8V83 F107 Y153 L157 F164 T194 I195V83-I155 HydrophobicContact CG1-CD1 3.71Å; V83-I155 HydrophobicContact CG1-CG1 4.35Å; F107-I155 HydrophobicContact CB-CG2 4.22Å; F107-I155 HydrophobicContact CD1-CG2 4.05Å; F107-I155 HydrophobicContact CG-CG2 4.29Å; Y153-I155 HydrophobicContact CD2-CG2 4.36Å; Y153-I155 HydrophobicContact CE2-CG2 3.91Å; Y153-I155 PolarHBondContact O-N 2.84Å; I155-L157 VanDerWaalsContact C-N 3.3Å; I155-F164 HydrophobicContact CB-CD1 4.49Å; I155-F164 HydrophobicContact CB-CG 4.31Å; I155-F164 HydrophobicContact CD1-CE1 4.22Å; I155-F164 HydrophobicContact CD1-CZ 4.25Å; I155-F164 HydrophobicContact CG2-CB 4.38Å; I155-F164 HydrophobicContact CG2-CD2 3.91Å; I155-F164 HydrophobicContact CG2-CE2 4.36Å; I155-F164 HydrophobicContact CG2-CG 4.08Å; I155-T194 HydrophobicContact CD1-CG2 4.07Å; I155-T194 HydrophobicContact CG1-CG2 4.3Å; I155-T194 WeakPolarHBondContact O-CG2 3.27Å; I155-I195 HydrophobicContact CD1-CD1 4.2Å; I155-I195 HydrophobicContact CD1-CG1 3.62Å
156T97.2Very high97.6Very high26 Ų2654.1 Ų54.116%0.1628%0.283CS..THydrogen-bonded Turntrans-79-15.5-178.778.20000112.8N154 E190 A191 T194N154-T156 PolarHBondContact ND2-OG1 2.84Å; N154-T156 PolarHBondContact O-N 2.92Å; N154-T156 WeakPolarHBondContact OD1-CG2 3.49Å; N154-T156 PolarHBondContact OD1-N 3.11Å; N154-T156 PolarHBondContact OD1-OG1 2.54Å; T156-E190 WeakPolarHBondContact CB-OE1 3.3Å; T156-E190 HydrophobicContact CG2-CG 4.07Å; T156-E190 PolarHBondContact OG1-OE1 3.43Å; T156-A191 HydrophobicContact CG2-CB 4.16Å; T156-T194 WeakPolarHBondContact CG2-OG1 3.44Å
157L97.3Very high97.6Very high73 Ų7355.3 Ų55.338%0.38229%0.287SS..SBendtrans-75.7136.1177.3-57.9179000110.9N154 I155 E159 N160 F161N154-L157 HydrophobicContact CB-CD1 4.12Å; N154-L157 HydrophobicContact CB-CG 4.09Å; N154-L157 PolarHBondContact O-N 2.77Å; I155-L157 VanDerWaalsContact C-N 3.3Å; L157-E159 VanDerWaalsContact C-N 3.28Å; L157-E159 HydrophobicContact CB-CG 4.13Å; L157-E159 PolarHBondContact O-N 3.17Å; L157-N160 HydrophobicContact CB-CB 4.41Å; L157-N160 PolarHBondContact O-N 2.93Å; L157-F161 PolarHBondContact O-N 3.12Å
158V95.3Very high97.7Very high125 Ų12550.8 Ų50.876%0.75827%0.266SS*.Hα-helixtrans-55-43.4-177.1178.50000111.9N160 F161V158-N160 PolarHBondContact O-N 2.97Å; V158-F161 PolarHBondContact O-N 2.83Å
159E95.9Very high97.6Very high153 Ų15353.5 Ų53.572%0.71528%0.276SS*.Hα-helixtrans-61.2-23.9177.763.1-137.8-139.900114.5L157L157-E159 VanDerWaalsContact C-N 3.28Å; L157-E159 HydrophobicContact CB-CG 4.13Å; L157-E159 PolarHBondContact O-N 3.17Å
160N97.5Very high97.6Very high30 Ų3055.5 Ų55.516%0.1629%0.285CS..Hα-helixtrans-100.8-24.7-177.4-69.3-29.9000112.7Y153 N154 L157 V158 D162 H163 F164Y153-N160 HydrophobicContact CD2-CB 3.49Å; Y153-N160 VanDerWaalsContact CD2-CB 3.49Å; Y153-N160 VanDerWaalsContact CD2-CG 3.49Å; Y153-N160 HydrophobicContact CE2-CB 3.65Å; Y153-N160 HydrophobicContact CG-CB 4.31Å; N154-N160 VanDerWaalsContact O-CB 3.31Å; N154-N160 WeakPolarHBondContact O-CB 3.29Å; N154-N160 PolarHBondContact O-ND2 2.99Å; L157-N160 HydrophobicContact CB-CB 4.41Å; L157-N160 PolarHBondContact O-N 2.93Å; V158-N160 PolarHBondContact O-N 2.97Å; N160-D162 PolarHBondContact O-N 3.17Å; N160-H163 PolarHBondContact O-N 2.92Å; N160-F164 PolarHBondContact O-N 3.23Å
161F97.2Very high97.5Very high49 Ų4953.5 Ų53.522%0.21527%0.268CS..Hα-helixtrans-62-40.6-174.1-174.8-107.6000112.7L157 V158 H163 F164 L165 T194 A198L157-F161 PolarHBondContact O-N 3.12Å; V158-F161 PolarHBondContact O-N 2.83Å; F161-H163 VanDerWaalsContact C-N 3.33Å; F161-H163 PolarHBondContact O-N 3.26Å; F161-F164 WeakPolarHBondContact O-CB 3.41Å; F161-F164 PolarHBondContact O-N 3.34Å; F161-L165 HydrophobicContact CD1-CD1 3.84Å; F161-L165 HydrophobicContact CD1-CG 4.28Å; F161-L165 HydrophobicContact CE1-CD1 3.42Å; F161-L165 VanDerWaalsContact CE1-CD1 3.42Å; F161-L165 HydrophobicContact CE1-CD2 4.46Å; F161-L165 HydrophobicContact CE1-CG 3.94Å; F161-L165 HydrophobicContact CZ-CD1 4Å; F161-L165 HydrophobicContact CZ-CD2 4.22Å; F161-L165 HydrophobicContact CZ-CG 4.08Å; F161-L165 WeakPolarHBondContact O-CG 3.28Å; F161-L165 PolarHBondContact O-N 2.95Å; F161-T194 HydrophobicContact CD2-CG2 3.6Å; F161-T194 HydrophobicContact CE2-CG2 3.61Å; F161-A198 HydrophobicContact CE2-CB 3.99Å; F161-A198 HydrophobicContact CZ-CB 4.09Å
162D96.9Very high97.4Very high119 Ų11952.2 Ų52.264%0.63626%0.263SS*.Hα-helixtrans-63.6-39.7177.1-76.8-23.3000112N160 L165 N166N160-D162 PolarHBondContact O-N 3.17Å; D162-L165 PolarHBondContact O-N 3.05Å; D162-N166 WeakPolarHBondContact O-CB 3.5Å; D162-N166 PolarHBondContact O-N 3.44Å
163H98Very high97.1Very high75 Ų7551 Ų5135%0.34726%0.256SS..Hα-helixtrans-68.1-42.4175.6-179.9-125.4000111.2H151 Y153 N160 F161 L165 N166 R167H151-H163 AromaticContact CE1-CE1 3.36Å; H151-H163 PolarHBondContact CE1-CE1 2.65Å; H151-H163 AromaticContact CE1-NE2 3.94Å; H151-H163 AromaticContact ND1-CE1 3.46Å; H151-H163 PolarHBondContact ND1-CE1 3.18Å; Y153-H163 AromaticContact CE1-CE1 3.81Å; Y153-H163 AromaticContact CE1-ND1 3.29Å; Y153-H163 VanDerWaalsContact CE1-ND1 3.29Å; Y153-H163 WeakPolarHBondContact CE1-ND1 3.33Å; Y153-H163 AromaticContact CZ-ND1 3.37Å; Y153-H163 PolarHBondContact OH-ND1 2.83Å; N160-H163 PolarHBondContact O-N 2.92Å; F161-H163 VanDerWaalsContact C-N 3.33Å; F161-H163 PolarHBondContact O-N 3.26Å; H163-L165 PolarHBondContact O-N 2.76Å; H163-N166 WeakPolarHBondContact O-CB 3.21Å; H163-N166 PolarHBondContact O-N 2.93Å; H163-R167 WeakPolarHBondContact O-CG 3.07Å; H163-R167 PolarHBondContact O-N 3.44Å
164F98.3Very high96.7Very high0 Ų056.8 Ų56.80%028%0.282CS..Hα-helixtrans-56-50.8173.3176.4-118.1000111.1V83 F107 Y153 I155 N160 F161 N166 R167 L168 I195 A198V83-F164 HydrophobicContact CG2-CE2 3.86Å; V83-F164 HydrophobicContact CG2-CZ 4.02Å; F107-F164 HydrophobicContact CD1-CD2 4.19Å; F107-F164 HydrophobicContact CD2-CD2 4.19Å; F107-F164 HydrophobicContact CD2-CE2 4.05Å; F107-F164 HydrophobicContact CE1-CD2 4.02Å; F107-F164 AromaticContact CE2-CD2 3.97Å; F107-F164 HydrophobicContact CE2-CD2 3.97Å; F107-F164 HydrophobicContact CE2-CE2 4.05Å; F107-F164 HydrophobicContact CG-CD2 4.3Å; F107-F164 HydrophobicContact CG-CE2 4.41Å; F107-F164 AromaticContact CZ-CD2 3.89Å; F107-F164 HydrophobicContact CZ-CD2 3.89Å; F107-F164 HydrophobicContact CZ-CE2 4.43Å; Y153-F164 PolarHBondContact OH-N 2.99Å; I155-F164 HydrophobicContact CB-CD1 4.49Å; I155-F164 HydrophobicContact CB-CG 4.31Å; I155-F164 HydrophobicContact CD1-CE1 4.22Å; I155-F164 HydrophobicContact CD1-CZ 4.25Å; I155-F164 HydrophobicContact CG2-CB 4.38Å; I155-F164 HydrophobicContact CG2-CD2 3.91Å; I155-F164 HydrophobicContact CG2-CE2 4.36Å; I155-F164 HydrophobicContact CG2-CG 4.08Å; N160-F164 PolarHBondContact O-N 3.23Å; F161-F164 WeakPolarHBondContact O-CB 3.41Å; F161-F164 PolarHBondContact O-N 3.34Å; F164-N166 VanDerWaalsContact C-N 3.31Å; F164-N166 PolarHBondContact O-N 3.01Å; F164-R167 PolarHBondContact O-N 3.09Å; F164-R167 VanDerWaalsContact O-N 3.14Å; F164-L168 HydrophobicContact CD1-CD1 4.38Å; F164-L168 HydrophobicContact CD2-CD2 4.4Å; F164-L168 HydrophobicContact CE1-CD1 3.82Å; F164-L168 HydrophobicContact CE1-CG 4.42Å; F164-L168 HydrophobicContact CE2-CD1 4.38Å; F164-L168 HydrophobicContact CE2-CD2 3.81Å; F164-L168 HydrophobicContact CE2-CG 4.23Å; F164-L168 HydrophobicContact CZ-CD1 3.81Å; F164-L168 HydrophobicContact CZ-CD2 3.98Å; F164-L168 HydrophobicContact CZ-CG 4.17Å; F164-L168 WeakPolarHBondContact O-CG 3.4Å; F164-L168 PolarHBondContact O-N 3.41Å; F164-I195 HydrophobicContact CZ-CG1 4.3Å; F164-A198 HydrophobicContact CD1-CB 4.28Å; F164-A198 HydrophobicContact CE1-CB 3.85Å
165L97.7Very high95.7Very high15 Ų1561 Ų618%0.07930%0.304CS..Hα-helixtrans-56.6-42.6175.1-76.7178000112.8F161 D162 H163 R167 L168 K169 A198 L201 L202F161-L165 HydrophobicContact CD1-CD1 3.84Å; F161-L165 HydrophobicContact CD1-CG 4.28Å; F161-L165 HydrophobicContact CE1-CD1 3.42Å; F161-L165 VanDerWaalsContact CE1-CD1 3.42Å; F161-L165 HydrophobicContact CE1-CD2 4.46Å; F161-L165 HydrophobicContact CE1-CG 3.94Å; F161-L165 HydrophobicContact CZ-CD1 4Å; F161-L165 HydrophobicContact CZ-CD2 4.22Å; F161-L165 HydrophobicContact CZ-CG 4.08Å; F161-L165 WeakPolarHBondContact O-CG 3.28Å; F161-L165 PolarHBondContact O-N 2.95Å; D162-L165 PolarHBondContact O-N 3.05Å; H163-L165 PolarHBondContact O-N 2.76Å; L165-R167 VanDerWaalsContact C-N 3.34Å; L165-R167 PolarHBondContact O-N 3.24Å; L165-L168 PolarHBondContact O-N 3.15Å; L165-K169 WeakPolarHBondContact O-CG 3.48Å; L165-K169 PolarHBondContact O-N 3.4Å; L165-A198 HydrophobicContact CD2-CB 3.6Å; L165-L201 HydrophobicContact CD1-CD2 3.87Å; L165-L201 HydrophobicContact CD2-CD2 4.09Å; L165-L202 HydrophobicContact CD2-CD1 3.97Å; L165-L202 HydrophobicContact CD2-CD2 4.36Å; L165-L202 HydrophobicContact CD2-CG 4.13Å
166N97.6Very high95.1Very high74 Ų7468.3 Ų68.340%0.39634%0.338SS..Hα-helixtrans-60-44.5177.4-178.8-85.5000111.4D162 H163 F164 L168 K169 H170D162-N166 WeakPolarHBondContact O-CB 3.5Å; D162-N166 PolarHBondContact O-N 3.44Å; H163-N166 WeakPolarHBondContact O-CB 3.21Å; H163-N166 PolarHBondContact O-N 2.93Å; F164-N166 VanDerWaalsContact C-N 3.31Å; F164-N166 PolarHBondContact O-N 3.01Å; N166-L168 VanDerWaalsContact C-N 3.35Å; N166-L168 PolarHBondContact O-N 2.98Å; N166-K169 PolarHBondContact O-N 2.94Å; N166-H170 WeakPolarHBondContact O-CB 3.49Å; N166-H170 PolarHBondContact O-N 3.48Å
167R97.8Very high94.8Very high31 Ų3171 Ų7112%0.11735%0.352CS..Hα-helixtrans-67.2-33.5177.6-60.6-44.3-62.5143.2-0.8112.7R103 F107 E149 H163 F164 L165 G171R103-R167 VanDerWaalsContact NH2-NH2 3.11Å; F107-R167 HydrophobicContact CZ-CB 3.97Å; F107-R167 HydrophobicContact CZ-CG 4.19Å; E149-R167 VanDerWaalsContact CD-NH2 3.33Å; E149-R167 IonicContact OE1-CZ 2.8Å; E149-R167 VanDerWaalsContact OE1-CZ 3.28Å; E149-R167 IonicContact OE1-NE 3.64Å; E149-R167 PolarHBondContact OE1-NE 3.2Å; E149-R167 IonicContact OE1-NH2 3.97Å; E149-R167 PolarHBondContact OE1-NH2 3.15Å; E149-R167 VanDerWaalsContact OE1-NH2 3.1Å; E149-R167 IonicContact OE2-CZ 2.89Å; E149-R167 IonicContact OE2-NE 2.86Å; E149-R167 IonicContact OE2-NH2 3.6Å; E149-R167 PolarHBondContact OE2-NH2 3.49Å; H163-R167 WeakPolarHBondContact O-CG 3.07Å; H163-R167 PolarHBondContact O-N 3.44Å; F164-R167 PolarHBondContact O-N 3.09Å; F164-R167 VanDerWaalsContact O-N 3.14Å; L165-R167 VanDerWaalsContact C-N 3.34Å; L165-R167 PolarHBondContact O-N 3.24Å; R167-G171 WeakPolarHBondContact O-CA 3.38Å; R167-G171 PolarHBondContact O-N 3.27Å
168L98Very high94.7Very high1 Ų171.4 Ų71.41%0.00536%0.359CS..Hα-helixtrans-65.2-42.2172.3-57.6-169.9000111.7V81 F164 L165 N166 I179 V182 A198 L202V81-L168 HydrophobicContact CB-CD2 4.29Å; V81-L168 HydrophobicContact CG1-CD2 4.12Å; V81-L168 HydrophobicContact CG2-CD2 3.9Å; F164-L168 HydrophobicContact CD1-CD1 4.38Å; F164-L168 HydrophobicContact CD2-CD2 4.4Å; F164-L168 HydrophobicContact CE1-CD1 3.82Å; F164-L168 HydrophobicContact CE1-CG 4.42Å; F164-L168 HydrophobicContact CE2-CD1 4.38Å; F164-L168 HydrophobicContact CE2-CD2 3.81Å; F164-L168 HydrophobicContact CE2-CG 4.23Å; F164-L168 HydrophobicContact CZ-CD1 3.81Å; F164-L168 HydrophobicContact CZ-CD2 3.98Å; F164-L168 HydrophobicContact CZ-CG 4.17Å; F164-L168 WeakPolarHBondContact O-CG 3.4Å; F164-L168 PolarHBondContact O-N 3.41Å; L165-L168 PolarHBondContact O-N 3.15Å; N166-L168 VanDerWaalsContact C-N 3.35Å; N166-L168 PolarHBondContact O-N 2.98Å; L168-I179 HydrophobicContact CB-CD1 4.26Å; L168-I179 HydrophobicContact CD2-CD1 3.63Å; L168-I179 HydrophobicContact CG-CD1 4.49Å; L168-I179 PolarHBondContact O-N 2.74Å; L168-V182 HydrophobicContact CD1-CG2 4.41Å; L168-V182 HydrophobicContact CD2-CG2 3.78Å; L168-A198 HydrophobicContact CD1-CB 4.13Å; L168-L202 HydrophobicContact CB-CD1 3.57Å; L168-L202 HydrophobicContact CD1-CD1 3.99Å; L168-L202 HydrophobicContact CG-CD1 4.39Å
169K97.3Very high94.9Very high95 Ų9565.8 Ų65.841%0.41332%0.324SS..Hα-helixtrans-74.9-32.6-178.5-72.1-176-172.7178.60114.7L165 N166 N177 P178 L202L165-K169 WeakPolarHBondContact O-CG 3.48Å; L165-K169 PolarHBondContact O-N 3.4Å; N166-K169 PolarHBondContact O-N 2.94Å; K169-N177 CarbonylContact O-C 3.58Å; K169-P178 WeakPolarHBondContact O-CA 3.45Å; K169-L202 HydrophobicContact CD-CD2 3.92Å; K169-L202 HydrophobicContact CG-CD1 3.87Å; K169-L202 HydrophobicContact CG-CD2 3.66Å; K169-L202 HydrophobicContact CG-CG 4.4Å
170H97.3Very high95Very high72 Ų7260.7 Ų60.733%0.33330%0.302SS..Hα-helixtrans-132.77.8-166.1-55.7-59.3000113.5N166 G172 E176 N177N166-H170 WeakPolarHBondContact O-CB 3.49Å; N166-H170 PolarHBondContact O-N 3.48Å; H170-G172 VanDerWaalsContact C-N 3.35Å; H170-E176 PolarHBondContact ND1-O 2.97Å; H170-E176 VanDerWaalsContact ND1-O 3.14Å; H170-E176 PolarHBondContact O-N 3.31Å; H170-N177 CarbonylContact C-O 3.54Å; H170-N177 VanDerWaalsContact CA-O 3.23Å; H170-N177 WeakPolarHBondContact CA-O 3.46Å
171G96.6Very high95Very high0 Ų059.2 Ų59.20%029%0.294CS..  trans-89.98.9-179.400000114.6T79 R103 I105 R167 N177T79-G171 WeakPolarHBondContact CG2-O 3.32Å; R103-G171 WeakPolarHBondContact CD-O 3.23Å; R103-G171 PolarHBondContact NE-O 3.02Å; I105-G171 WeakPolarHBondContact CD1-O 3.45Å; R167-G171 WeakPolarHBondContact O-CA 3.38Å; R167-G171 PolarHBondContact O-N 3.27Å; G171-N177 PolarHBondContact N-O 2.85Å
172G96.3Very high95.1Very high1 Ų156.9 Ų56.91%0.0128%0.284CS..SBendtrans-55.4176176.700000113.8T79 R103 H170 K174 N177T79-G172 VanDerWaalsContact OG1-C 3.31Å; R103-G172 PolarHBondContact NH1-O 3.47Å; H170-G172 VanDerWaalsContact C-N 3.35Å; G172-K174 CarbonylContact C-O 3.58Å; G172-K174 PolarHBondContact O-N 2.9Å; G172-N177 WeakPolarHBondContact CA-O 3.35Å; G172-N177 PolarHBondContact N-O 2.55Å
173L91.9Very high95.2Very high55 Ų5551.2 Ų51.229%0.28825%0.254SS..SBendtrans-63.2-33.4-177.2-174.266.6000111.9R76 T79 R103R76-L173 VanDerWaalsContact O-CD2 3.26Å; R76-L173 WeakPolarHBondContact O-CD2 3.39Å; T79-L173 PolarHBondContact OG1-N 2.91Å; R103-L173 HydrophobicContact CB-CD1 3.98Å
174K90.1Very high95.2Very high154 Ų15447.7 Ų47.767%0.6724%0.237SC*.SBendtrans-99.1139.8166.3-60.7179.3-177.4176.90107.9G172 N177G172-K174 CarbonylContact C-O 3.58Å; G172-K174 PolarHBondContact O-N 2.9Å; K174-N177 WeakPolarHBondContact O-CB 3.49Å; K174-N177 PolarHBondContact O-N 2.87Å
175D78Confident95.3Very high126 Ų12648.3 Ų48.367%0.67424%0.242SC*.THydrogen-bonded Turntrans-55.3145.6176.2-64.6-34.5000110.4N177D175-N177 PolarHBondContact O-N 2.91Å
176E84.9Confident95.2Very high160 Ų16048.4 Ų48.475%0.74824%0.243SC*.THydrogen-bonded Turntrans73.3-10.7-178-49.8-174160.800116.7H170H170-E176 PolarHBondContact ND1-O 2.97Å; H170-E176 VanDerWaalsContact ND1-O 3.14Å; H170-E176 PolarHBondContact O-N 3.31Å
177N91.6Very high95.1Very high83 Ų8350 Ų5044%0.44425%0.251SS..SBendtrans-80.4148.5172.6-75.4-7.8000112.1K169 H170 G171 G172 K174 D175K169-N177 CarbonylContact O-C 3.58Å; H170-N177 CarbonylContact C-O 3.54Å; H170-N177 VanDerWaalsContact CA-O 3.23Å; H170-N177 WeakPolarHBondContact CA-O 3.46Å; G171-N177 PolarHBondContact N-O 2.85Å; G172-N177 WeakPolarHBondContact CA-O 3.35Å; G172-N177 PolarHBondContact N-O 2.55Å; K174-N177 WeakPolarHBondContact O-CB 3.49Å; K174-N177 PolarHBondContact O-N 2.87Å; D175-N177 PolarHBondContact O-N 2.91Å
178P95Very high94.9Very high81 Ų8149.4 Ų49.453%0.52625%0.25SS..PPolyproline II helixtrans-66.1157.2169.430-35.1000110.8K169K169-P178 WeakPolarHBondContact O-CA 3.45Å
179I98.3Very high94.7Very high7 Ų752.1 Ų52.14%0.03626%0.262CS..PPolyproline II helixtrans-68.9164.516967177.1000110.7T79 V81 I105 L168 V182 Q204T79-I179 HydrophobicContact CG2-CB 4.19Å; T79-I179 HydrophobicContact CG2-CG2 3.81Å; V81-I179 HydrophobicContact CB-CD1 4.01Å; V81-I179 HydrophobicContact CG2-CB 4.29Å; V81-I179 HydrophobicContact CG2-CD1 3.34Å; V81-I179 HydrophobicContact CG2-CG1 4.38Å; V81-I179 HydrophobicContact CG2-CG2 3.83Å; I105-I179 HydrophobicContact CD1-CG2 4.37Å; L168-I179 HydrophobicContact CB-CD1 4.26Å; L168-I179 HydrophobicContact CD2-CD1 3.63Å; L168-I179 HydrophobicContact CG-CD1 4.49Å; L168-I179 PolarHBondContact O-N 2.74Å; I179-V182 HydrophobicContact CD1-CG2 3.33Å; I179-Q204 HydrophobicContact CD1-CG 4.24Å; I179-Q204 HydrophobicContact CG1-CG 4.44Å; I179-Q204 PolarHBondContact O-OE1 3Å
180D98.4Very high94.6Very high46 Ų4652 Ų5225%0.24626%0.263CS..SBendtrans-85.3-35.7175.8-62.1-100.4000112.6K78 T79 Q204 L277K78-D180 VanDerWaalsContact CA-OD2 3.27Å; K78-D180 WeakPolarHBondContact CA-OD2 3.11Å; K78-D180 HydrophobicContact CD-CB 4.32Å; K78-D180 WeakPolarHBondContact CD-OD1 3.31Å; K78-D180 IonicContact NZ-OD1 3.54Å; K78-D180 PolarHBondContact NZ-OD1 3.01Å; K78-D180 VanDerWaalsContact NZ-OD1 3.11Å; T79-D180 PolarHBondContact N-OD2 3.32Å; T79-D180 PolarHBondContact O-N 3.23Å; D180-Q204 PolarHBondContact O-NE2 2.83Å; D180-L277 HydrophobicContact CB-CD2 3.71Å
181L98.7Very high94.6Very high0 Ų048.9 Ų48.90%025%0.25CC..EExtended strand (participates in β ladder)trans-157.5143.8-172.6-162.468.5000112.7T79 V80 V81 L183 V205 Y207 T273 Y276 L277T79-L181 PolarHBondContact O-N 2.79Å; V80-L181 WeakPolarHBondContact CA-O 3.16Å; V80-L181 HydrophobicContact CG2-CB 4.39Å; V81-L181 PolarHBondContact N-O 3.09Å; L181-L183 HydrophobicContact CD2-CD2 3.72Å; L181-L183 HydrophobicContact CG-CD2 4.1Å; L181-V205 HydrophobicContact CD1-CB 4.22Å; L181-V205 HydrophobicContact CD1-CG1 3.84Å; L181-Y207 HydrophobicContact CD1-CD2 4.18Å; L181-Y207 HydrophobicContact CD1-CE2 4.47Å; L181-Y207 HydrophobicContact CD2-CD2 4Å; L181-Y207 HydrophobicContact CD2-CE2 4.3Å; L181-Y207 HydrophobicContact CG-CD2 4.44Å; L181-T273 HydrophobicContact CD2-CG2 3.65Å; L181-Y276 HydrophobicContact CD1-CD1 4.04Å; L181-Y276 HydrophobicContact CD1-CE1 3.92Å; L181-Y276 HydrophobicContact CD2-CD1 4.4Å; L181-L277 HydrophobicContact CB-CD2 4.49Å
182V98.9Very high94.7Very high0 Ų049.8 Ų49.80%025%0.253CS..EExtended strand (participates in β ladder)trans-105.8140.1166.3-175.10000109.8V81 V83 L168 I179 I195 Q204 V205 W206 Y207V81-V182 HydrophobicContact CB-CB 4.48Å; V81-V182 HydrophobicContact CB-CG1 4.31Å; V81-V182 HydrophobicContact CB-CG2 4.22Å; V81-V182 HydrophobicContact CG1-CG1 4.25Å; V81-V182 CarbonylContact O-C 3.53Å; V81-V182 WeakPolarHBondContact O-CA 3.32Å; V83-V182 HydrophobicContact CG2-CG1 4.16Å; L168-V182 HydrophobicContact CD1-CG2 4.41Å; L168-V182 HydrophobicContact CD2-CG2 3.78Å; I179-V182 HydrophobicContact CD1-CG2 3.33Å; V182-I195 HydrophobicContact CG1-CG2 4.17Å; V182-Q204 HydrophobicContact CG2-CG 3.83Å; V182-V205 PolarHBondContact N-O 2.81Å; V182-W206 HydrophobicContact CB-CB 3.65Å; V182-W206 HydrophobicContact CG1-CB 4.46Å; V182-W206 HydrophobicContact CG2-CB 4.48Å; V182-W206 CarbonylContact O-C 3.48Å; V182-W206 WeakPolarHBondContact O-CA 3.28Å; V182-W206 VanDerWaalsContact O-CB 3.27Å; V182-W206 WeakPolarHBondContact O-CB 3.49Å; V182-Y207 PolarHBondContact O-N 2.92Å
183L98.9Very high94.8Very high0 Ų051.7 Ų51.70%026%0.262CS..EExtended strand (participates in β ladder)trans-118.3114.7172.8-53.7-177.4000108.9V80 V81 I82 V83 T92 L96 L181 Y207 L269 T273V80-L183 HydrophobicContact CG1-CD1 3.68Å; V80-L183 HydrophobicContact CG1-CG 3.7Å; V81-L183 PolarHBondContact O-N 2.93Å; I82-L183 WeakPolarHBondContact CA-O 3.31Å; I82-L183 HydrophobicContact CG1-CB 4.3Å; I82-L183 HydrophobicContact CG1-CD1 4.27Å; V83-L183 PolarHBondContact N-O 2.76Å; T92-L183 HydrophobicContact CG2-CD1 3.61Å; L96-L183 HydrophobicContact CD1-CD1 3.84Å; L181-L183 HydrophobicContact CD2-CD2 3.72Å; L181-L183 HydrophobicContact CG-CD2 4.1Å; L183-Y207 HydrophobicContact CD2-CD2 4.19Å; L183-Y207 HydrophobicContact CD2-CG 4.42Å; L183-L269 HydrophobicContact CB-CD2 4.41Å; L183-L269 HydrophobicContact CD1-CD2 4.47Å; L183-L269 HydrophobicContact CD1-CG 4.46Å; L183-L269 HydrophobicContact CD2-CD1 4.1Å; L183-L269 HydrophobicContact CD2-CG 4.42Å; L183-T273 WeakPolarHBondContact CD2-OG1 3.48Å
184S98.8Very high95.1Very high0 Ų050.1 Ų50.10%026%0.255CS..EExtended strand (participates in β ladder)trans-88.9115.3173.9-175.20000110V186 I195 Y207 S209S184-V186 WeakPolarHBondContact OG-CG2 3.31Å; S184-I195 VanDerWaalsContact OG-CD1 3.22Å; S184-I195 WeakPolarHBondContact OG-CD1 3.4Å; S184-Y207 PolarHBondContact N-O 2.74Å; S184-S209 PolarHBondContact O-N 3.04Å; S184-S209 PolarHBondContact O-OG 3.08Å
185C98.5Very high95.5Very high14 Ų1442.8 Ų42.810%0.09522%0.223CC..  trans-123.527.2178.4-590000110.6I82 V83 G84 V88I82-C185 HydrophobicContact CG2-CB 4.47Å; V83-C185 CarbonylContact O-C 3.52Å; V83-C185 WeakPolarHBondContact O-CA 3.36Å; V83-C185 PolarHBondContact O-N 3.12Å; G84-C185 WeakPolarHBondContact O-CB 3.34Å; V88-C185 HydrophobicContact CB-CB 4.33Å; V88-C185 HydrophobicContact CG1-CB 4.28Å
186V97.5Very high96.4Very high16 Ų1636.8 Ų36.810%0.09719%0.191CC..  trans-81.3163.1-178.7-56.50000111.6V83 S184 A191 R192 I195V83-V186 HydrophobicContact CB-CG1 4.2Å; V83-V186 HydrophobicContact CG1-CG1 3.69Å; V83-V186 WeakPolarHBondContact O-CG1 3.49Å; V83-V186 PolarHBondContact O-N 3.02Å; S184-V186 WeakPolarHBondContact OG-CG2 3.31Å; V186-A191 HydrophobicContact CB-CB 4.03Å; V186-A191 HydrophobicContact CG1-CB 4.05Å; V186-A191 HydrophobicContact CG2-CB 3.84Å; V186-R192 HydrophobicContact CG2-CG 3.58Å; V186-R192 PolarHBondContact O-NH2 3.03Å; V186-I195 HydrophobicContact CG1-CD1 4.28Å
187D93.6Very high97.1Very high108 Ų10832.9 Ų32.958%0.57817%0.172SC*.SBendtrans-109.75.1-172.667.4-12.5000114.2
188N93.8Very high97.4Very high18 Ų1829 Ų2910%0.09615%0.151CC..SBendtrans-135.6155.1-178.262.584.8000111.5A191 R192 E245N188-A191 VanDerWaalsContact OD1-CB 3.23Å; N188-A191 WeakPolarHBondContact OD1-CB 3.36Å; N188-A191 PolarHBondContact OD1-N 2.9Å; N188-R192 VanDerWaalsContact C-NH1 3.3Å; N188-R192 WeakPolarHBondContact O-CG 3.49Å; N188-R192 PolarHBondContact O-N 3.44Å; N188-R192 PolarHBondContact O-NH1 2.95Å; N188-E245 WeakPolarHBondContact CA-OE2 3.49Å; N188-E245 WeakPolarHBondContact CB-OE1 3.23Å; N188-E245 WeakPolarHBondContact CB-OE2 3.48Å
189F95.3Very high97.6Very high58 Ų5825.1 Ų25.125%0.25413%0.125SC..Hα-helixtrans-75.6-31.1-177.4-64.1-59.8000112.5A191 R192 M193 F231 P236 I238 V239 E245F189-A191 PolarHBondContact O-N 3.37Å; F189-R192 PolarHBondContact O-N 3.34Å; F189-M193 WeakPolarHBondContact O-CB 3.45Å; F189-M193 WeakPolarHBondContact O-CG 3.1Å; F189-M193 PolarHBondContact O-N 3.42Å; F189-F231 HydrophobicContact CD1-CE1 4.09Å; F189-F231 AromaticContact CD1-CZ 3.74Å; F189-F231 HydrophobicContact CD1-CZ 3.74Å; F189-F231 HydrophobicContact CE1-CZ 4.13Å; F189-P236 HydrophobicContact CD1-CG 3.76Å; F189-P236 HydrophobicContact CE1-CB 4.22Å; F189-P236 HydrophobicContact CE1-CG 3.64Å; F189-P236 HydrophobicContact CE2-CG 4.44Å; F189-P236 HydrophobicContact CG-CG 4.23Å; F189-P236 HydrophobicContact CZ-CB 4.2Å; F189-P236 HydrophobicContact CZ-CG 4Å; F189-I238 HydrophobicContact CD2-CG2 3.48Å; F189-I238 VanDerWaalsContact CD2-CG2 3.48Å; F189-I238 HydrophobicContact CE2-CG2 3.57Å; F189-I238 HydrophobicContact CG-CG2 4.33Å; F189-I238 HydrophobicContact CZ-CG2 4.47Å; F189-V239 HydrophobicContact CB-CG2 3.72Å; F189-V239 HydrophobicContact CG-CG2 4.09Å; F189-E245 HydrophobicContact CD2-CG 4.19Å; F189-E245 PolarHBondContact N-OE2 3.42Å
190E95.4Very high97.6Very high94 Ų9424.8 Ų24.844%0.43912%0.124SC..Hα-helixtrans-56.4-52.1177.4-168.9-171.9155.500110.7T156 R192 M193 T194T156-E190 WeakPolarHBondContact CB-OE1 3.3Å; T156-E190 HydrophobicContact CG2-CG 4.07Å; T156-E190 PolarHBondContact OG1-OE1 3.43Å; E190-R192 PolarHBondContact O-N 3.47Å; E190-M193 WeakPolarHBondContact O-CB 3.27Å; E190-M193 PolarHBondContact O-N 3.38Å; E190-T194 PolarHBondContact O-N 3Å; E190-T194 PolarHBondContact O-OG1 2.77Å; E190-T194 VanDerWaalsContact O-OG1 3.13Å
191A97.3Very high97.5Very high5 Ų525 Ų254%0.04113%0.125CC..Hα-helixtrans-64.8-37.1177.600000112.8T156 V186 N188 F189 M193 T194 I195T156-A191 HydrophobicContact CG2-CB 4.16Å; V186-A191 HydrophobicContact CB-CB 4.03Å; V186-A191 HydrophobicContact CG1-CB 4.05Å; V186-A191 HydrophobicContact CG2-CB 3.84Å; N188-A191 VanDerWaalsContact OD1-CB 3.23Å; N188-A191 WeakPolarHBondContact OD1-CB 3.36Å; N188-A191 PolarHBondContact OD1-N 2.9Å; F189-A191 PolarHBondContact O-N 3.37Å; A191-M193 VanDerWaalsContact C-N 3.34Å; A191-M193 PolarHBondContact O-N 3.06Å; A191-T194 PolarHBondContact O-N 3Å; A191-I195 WeakPolarHBondContact O-CD1 3.45Å; A191-I195 VanDerWaalsContact O-CG1 3.24Å; A191-I195 WeakPolarHBondContact O-CG1 3.39Å; A191-I195 PolarHBondContact O-N 3.37Å
192R98.1Very high97.5Very high20 Ų2026.9 Ų26.98%0.07514%0.135CC..Hα-helixtrans-60.9-43.1173.4-70.8179177.685.32.7111.5V186 N188 F189 E190 I195 N196 E208 S209 F231V186-R192 HydrophobicContact CG2-CG 3.58Å; V186-R192 PolarHBondContact O-NH2 3.03Å; N188-R192 VanDerWaalsContact C-NH1 3.3Å; N188-R192 WeakPolarHBondContact O-CG 3.49Å; N188-R192 PolarHBondContact O-N 3.44Å; N188-R192 PolarHBondContact O-NH1 2.95Å; F189-R192 PolarHBondContact O-N 3.34Å; E190-R192 PolarHBondContact O-N 3.47Å; R192-I195 PolarHBondContact O-N 3.35Å; R192-N196 VanDerWaalsContact O-CB 3.28Å; R192-N196 WeakPolarHBondContact O-CB 3.34Å; R192-N196 PolarHBondContact O-N 2.89Å; R192-E208 IonicContact CZ-OE1 3.08Å; R192-E208 IonicContact NE-OE1 2.71Å; R192-E208 PolarHBondContact NE-OE1 2.91Å; R192-E208 IonicContact NH2-OE1 3.69Å; R192-E208 PolarHBondContact NH2-OE1 2.96Å; R192-S209 PolarHBondContact NH2-O 2.89Å; R192-F231 HydrophobicContact CB-CD1 4.28Å; R192-F231 HydrophobicContact CB-CD2 4.49Å; R192-F231 HydrophobicContact CB-CE1 4.06Å; R192-F231 HydrophobicContact CB-CE2 4.3Å; R192-F231 HydrophobicContact CB-CG 4.5Å; R192-F231 HydrophobicContact CB-CZ 4.09Å; R192-F231 HydrophobicContact CG-CE2 4.5Å; R192-F231 HydrophobicContact CG-CZ 4.45Å
193M97.2Very high97.5Very high40 Ų4028.3 Ų28.320%0.19715%0.149CC..Hα-helixtrans-65.5-40.5176.5-71.7-61.5-6500112F189 E190 A191 N196 K197 F231 E232 V239F189-M193 WeakPolarHBondContact O-CB 3.45Å; F189-M193 WeakPolarHBondContact O-CG 3.1Å; F189-M193 PolarHBondContact O-N 3.42Å; E190-M193 WeakPolarHBondContact O-CB 3.27Å; E190-M193 PolarHBondContact O-N 3.38Å; A191-M193 VanDerWaalsContact C-N 3.34Å; A191-M193 PolarHBondContact O-N 3.06Å; M193-N196 WeakPolarHBondContact O-CB 3.42Å; M193-N196 PolarHBondContact O-N 3.46Å; M193-K197 WeakPolarHBondContact O-CB 3.26Å; M193-K197 PolarHBondContact O-N 3.17Å; M193-F231 HydrophobicContact CG-CD1 4.35Å; M193-F231 HydrophobicContact SD-CD1 3.58Å; M193-F231 VanDerWaalsContact SD-CD1 3.58Å; M193-F231 HydrophobicContact SD-CE1 4.2Å; M193-E232 HydrophobicContact CE-CB 4.03Å; M193-E232 HydrophobicContact CE-CG 3.94Å; M193-E232 WeakPolarHBondContact CE-OE2 3.39Å; M193-E232 HydrophobicContact SD-CB 4.47Å; M193-V239 HydrophobicContact CE-CG1 4.33Å; M193-V239 HydrophobicContact CG-CG1 4.34Å; M193-V239 HydrophobicContact SD-CG1 4.02Å
194T98.1Very high97.4Very high23 Ų2329.2 Ų29.214%0.14115%0.153CC..Hα-helixtrans-60.4-46.8174-590000111.8I155 T156 F161 E190 A191 K197 A198I155-T194 HydrophobicContact CD1-CG2 4.07Å; I155-T194 HydrophobicContact CG1-CG2 4.3Å; I155-T194 WeakPolarHBondContact O-CG2 3.27Å; T156-T194 WeakPolarHBondContact CG2-OG1 3.44Å; F161-T194 HydrophobicContact CD2-CG2 3.6Å; F161-T194 HydrophobicContact CE2-CG2 3.61Å; E190-T194 PolarHBondContact O-N 3Å; E190-T194 PolarHBondContact O-OG1 2.77Å; E190-T194 VanDerWaalsContact O-OG1 3.13Å; A191-T194 PolarHBondContact O-N 3Å; T194-K197 PolarHBondContact O-N 2.76Å; T194-A198 WeakPolarHBondContact O-CB 3.41Å; T194-A198 PolarHBondContact O-N 2.98Å
195I98.6Very high97.4Very high0 Ų029.6 Ų29.60%016%0.156CC..Hα-helixtrans-63-44.5176.4-63.3160.8000110.3V83 I155 F164 V182 S184 V186 A191 R192 K197 A198 C199 W206V83-I195 HydrophobicContact CB-CD1 3.77Å; V83-I195 HydrophobicContact CB-CG1 4.5Å; V83-I195 HydrophobicContact CG1-CD1 3.85Å; V83-I195 HydrophobicContact CG1-CG1 4.44Å; V83-I195 HydrophobicContact CG2-CD1 4.05Å; V83-I195 HydrophobicContact CG2-CG1 4.3Å; I155-I195 HydrophobicContact CD1-CD1 4.2Å; I155-I195 HydrophobicContact CD1-CG1 3.62Å; F164-I195 HydrophobicContact CZ-CG1 4.3Å; V182-I195 HydrophobicContact CG1-CG2 4.17Å; S184-I195 VanDerWaalsContact OG-CD1 3.22Å; S184-I195 WeakPolarHBondContact OG-CD1 3.4Å; V186-I195 HydrophobicContact CG1-CD1 4.28Å; A191-I195 WeakPolarHBondContact O-CD1 3.45Å; A191-I195 VanDerWaalsContact O-CG1 3.24Å; A191-I195 WeakPolarHBondContact O-CG1 3.39Å; A191-I195 PolarHBondContact O-N 3.37Å; R192-I195 PolarHBondContact O-N 3.35Å; I195-K197 PolarHBondContact O-N 3.44Å; I195-A198 PolarHBondContact O-N 2.94Å; I195-C199 WeakPolarHBondContact O-CB 3.43Å; I195-C199 PolarHBondContact O-N 3.37Å; I195-C199 PolarHBondContact O-SG 3.37Å; I195-W206 HydrophobicContact CB-CZ3 4.42Å; I195-W206 HydrophobicContact CG2-CD2 3.92Å; I195-W206 HydrophobicContact CG2-CE3 3.6Å; I195-W206 HydrophobicContact CG2-CH2 4.33Å; I195-W206 HydrophobicContact CG2-CZ3 3.83Å
196N98.6Very high97.4Very high0 Ų029 Ų290%015%0.152CC..Hα-helixtrans-56.6-49.1177.2-18070.9000111.5R192 M193 A198 C199 N200 W206 C230 F231R192-N196 VanDerWaalsContact O-CB 3.28Å; R192-N196 WeakPolarHBondContact O-CB 3.34Å; R192-N196 PolarHBondContact O-N 2.89Å; M193-N196 WeakPolarHBondContact O-CB 3.42Å; M193-N196 PolarHBondContact O-N 3.46Å; N196-A198 PolarHBondContact O-N 2.99Å; N196-C199 PolarHBondContact O-N 3.2Å; N196-N200 PolarHBondContact ND2-ND2 2.81Å; N196-N200 WeakPolarHBondContact O-CB 3.28Å; N196-N200 PolarHBondContact O-N 3.33Å; N196-N200 PolarHBondContact O-ND2 2.78Å; N196-W206 HydrophobicContact CB-CH2 4.21Å; N196-W206 HydrophobicContact CB-CZ2 3.73Å; N196-C230 WeakPolarHBondContact OD1-CB 3.45Å; N196-F231 HydrophobicContact CB-CB 3.89Å; N196-F231 PolarHBondContact OD1-N 3.16Å
197K97.9Very high97.5Very high78 Ų7828.2 Ų28.234%0.33915%0.147SC..Hα-helixtrans-62-45.6179.6-170.564.5172.6-172.90111.7M193 T194 I195 L201 D309M193-K197 WeakPolarHBondContact O-CB 3.26Å; M193-K197 PolarHBondContact O-N 3.17Å; T194-K197 PolarHBondContact O-N 2.76Å; I195-K197 PolarHBondContact O-N 3.44Å; K197-L201 VanDerWaalsContact O-CB 3.3Å; K197-L201 WeakPolarHBondContact O-CB 3.35Å; K197-L201 PolarHBondContact O-N 3.34Å; K197-D309 IonicContact NZ-OD1 2.66Å; K197-D309 PolarHBondContact NZ-OD1 3.28Å; K197-D309 IonicContact NZ-OD2 2.69Å
198A98.4Very high97.7Very high0 Ų023.1 Ų23.10%012%0.12CC..Hα-helixtrans-59.5-47.9175.900000111.4F161 F164 L165 L168 T194 I195 N196 L201 L202F161-A198 HydrophobicContact CE2-CB 3.99Å; F161-A198 HydrophobicContact CZ-CB 4.09Å; F164-A198 HydrophobicContact CD1-CB 4.28Å; F164-A198 HydrophobicContact CE1-CB 3.85Å; L165-A198 HydrophobicContact CD2-CB 3.6Å; L168-A198 HydrophobicContact CD1-CB 4.13Å; T194-A198 WeakPolarHBondContact O-CB 3.41Å; T194-A198 PolarHBondContact O-N 2.98Å; I195-A198 PolarHBondContact O-N 2.94Å; N196-A198 PolarHBondContact O-N 2.99Å; A198-L201 WeakPolarHBondContact O-CB 3.27Å; A198-L201 PolarHBondContact O-N 3.45Å; A198-L202 VanDerWaalsContact O-CG 3.26Å; A198-L202 WeakPolarHBondContact O-CG 3.42Å; A198-L202 PolarHBondContact O-N 2.81Å
199C98.6Very high97.9Very high0 Ų022.4 Ų22.40%012%0.116CC..Hα-helixtrans-69.4-38.5-176.8-670000112.7I195 N196 L202 G203 Q204 W206I195-C199 WeakPolarHBondContact O-CB 3.43Å; I195-C199 PolarHBondContact O-N 3.37Å; I195-C199 PolarHBondContact O-SG 3.37Å; N196-C199 PolarHBondContact O-N 3.2Å; C199-L202 PolarHBondContact O-N 2.95Å; C199-G203 CarbonylContact O-C 3.54Å; C199-G203 WeakPolarHBondContact O-CA 3.37Å; C199-G203 PolarHBondContact O-N 3.37Å; C199-Q204 HydrophobicContact CB-CB 4.27Å; C199-Q204 WeakPolarHBondContact CB-O 3.18Å; C199-Q204 PolarHBondContact O-N 2.72Å; C199-W206 HydrophobicContact CB-CG 4.05Å; C199-W206 VanDerWaalsContact SG-CD1 3.57Å
200N98.5Very high98Very high1 Ų120 Ų201%0.00511%0.107CC..Hα-helixtrans-63.5-44173.2-73.4-26.3000111.7N196 L202 G203 D309 W311 R315N196-N200 PolarHBondContact ND2-ND2 2.81Å; N196-N200 WeakPolarHBondContact O-CB 3.28Å; N196-N200 PolarHBondContact O-N 3.33Å; N196-N200 PolarHBondContact O-ND2 2.78Å; N200-L202 VanDerWaalsContact C-N 3.28Å; N200-L202 PolarHBondContact O-N 3.45Å; N200-G203 PolarHBondContact O-N 2.82Å; N200-D309 WeakPolarHBondContact CB-OD2 3.34Å; N200-D309 PolarHBondContact ND2-OD2 3.29Å; N200-W311 HydrophobicContact CB-CB 3.82Å; N200-R315 PolarHBondContact O-NE 3.2Å
201L97.9Very high98Very high50 Ų5017.6 Ų17.626%0.26210%0.099SC..Hα-helixtrans-57-41.517517265.2000111.6L165 K197 A198 W311 R315L165-L201 HydrophobicContact CD1-CD2 3.87Å; L165-L201 HydrophobicContact CD2-CD2 4.09Å; K197-L201 VanDerWaalsContact O-CB 3.3Å; K197-L201 WeakPolarHBondContact O-CB 3.35Å; K197-L201 PolarHBondContact O-N 3.34Å; A198-L201 WeakPolarHBondContact O-CB 3.27Å; A198-L201 PolarHBondContact O-N 3.45Å; L201-W311 HydrophobicContact CB-CG 4.41Å; L201-W311 HydrophobicContact CD1-CD2 3.87Å; L201-W311 HydrophobicContact CD1-CE3 4.29Å; L201-W311 HydrophobicContact CD1-CH2 3.81Å; L201-W311 HydrophobicContact CD1-CZ2 3.32Å; L201-W311 HydrophobicContact CD1-CZ3 4.26Å; L201-R315 PolarHBondContact O-NH2 2.87Å
202L97.7Very high97.9Very high40 Ų4018.9 Ų18.921%0.20911%0.108CC..Hα-helixtrans-88.3-17.5-176.9-59.5-174.5000114.8L165 L168 K169 A198 C199 N200 Q204L165-L202 HydrophobicContact CD2-CD1 3.97Å; L165-L202 HydrophobicContact CD2-CD2 4.36Å; L165-L202 HydrophobicContact CD2-CG 4.13Å; L168-L202 HydrophobicContact CB-CD1 3.57Å; L168-L202 HydrophobicContact CD1-CD1 3.99Å; L168-L202 HydrophobicContact CG-CD1 4.39Å; K169-L202 HydrophobicContact CD-CD2 3.92Å; K169-L202 HydrophobicContact CG-CD1 3.87Å; K169-L202 HydrophobicContact CG-CD2 3.66Å; K169-L202 HydrophobicContact CG-CG 4.4Å; A198-L202 VanDerWaalsContact O-CG 3.26Å; A198-L202 WeakPolarHBondContact O-CG 3.42Å; A198-L202 PolarHBondContact O-N 2.81Å; C199-L202 PolarHBondContact O-N 2.95Å; N200-L202 VanDerWaalsContact C-N 3.28Å; N200-L202 PolarHBondContact O-N 3.45Å; L202-Q204 HydrophobicContact CB-CB 4.02Å
203G98Very high97.6Very high30 Ų3025 Ų2531%0.30914%0.137SC..THydrogen-bonded Turntrans68.422.7-164.100000112.5C199 N200C199-G203 CarbonylContact O-C 3.54Å; C199-G203 WeakPolarHBondContact O-CA 3.37Å; C199-G203 PolarHBondContact O-N 3.37Å; N200-G203 PolarHBondContact O-N 2.82Å
204Q98.5Very high97.4Very high18 Ų1827.6 Ų27.68%0.08415%0.152CC..  trans-78.2129.1-178.3177.559.358.700110.2I179 D180 V182 C199 L202 P225I179-Q204 HydrophobicContact CD1-CG 4.24Å; I179-Q204 HydrophobicContact CG1-CG 4.44Å; I179-Q204 PolarHBondContact O-OE1 3Å; D180-Q204 PolarHBondContact O-NE2 2.83Å; V182-Q204 HydrophobicContact CG2-CG 3.83Å; C199-Q204 HydrophobicContact CB-CB 4.27Å; C199-Q204 WeakPolarHBondContact CB-O 3.18Å; C199-Q204 PolarHBondContact O-N 2.72Å; L202-Q204 HydrophobicContact CB-CB 4.02Å; Q204-P225 WeakPolarHBondContact O-CD 3.22Å; Q204-P225 VanDerWaalsContact O-CG 3.31Å; Q204-P225 WeakPolarHBondContact O-CG 3.48Å
205V98.6Very high97.1Very high9 Ų926.6 Ų26.66%0.05515%0.146CC..  trans-76.2139.6173.9-175.90000109.7L181 V182 L222 Y224 Y276L181-V205 HydrophobicContact CD1-CB 4.22Å; L181-V205 HydrophobicContact CD1-CG1 3.84Å; V182-V205 PolarHBondContact N-O 2.81Å; V205-L222 HydrophobicContact CG1-CD1 3.58Å; V205-Y224 HydrophobicContact CG1-CD2 4.29Å; V205-Y224 HydrophobicContact CG1-CG 4.34Å; V205-Y224 HydrophobicContact CG2-CD1 3.65Å; V205-Y224 HydrophobicContact CG2-CD2 4Å; V205-Y224 HydrophobicContact CG2-CE1 3.58Å; V205-Y224 HydrophobicContact CG2-CE2 3.96Å; V205-Y224 HydrophobicContact CG2-CG 3.84Å; V205-Y276 HydrophobicContact CG1-CE1 4.36Å; V205-Y276 HydrophobicContact CG1-CE2 4.33Å
206W98.8Very high96.9Very high0 Ų029.5 Ų29.50%016%0.164CC..EExtended strand (participates in β ladder)trans-148.5161.3179.966.5-70.9000112.7V182 I195 N196 C199 E208 M223 F231V182-W206 HydrophobicContact CB-CB 3.65Å; V182-W206 HydrophobicContact CG1-CB 4.46Å; V182-W206 HydrophobicContact CG2-CB 4.48Å; V182-W206 CarbonylContact O-C 3.48Å; V182-W206 WeakPolarHBondContact O-CA 3.28Å; V182-W206 VanDerWaalsContact O-CB 3.27Å; V182-W206 WeakPolarHBondContact O-CB 3.49Å; I195-W206 HydrophobicContact CB-CZ3 4.42Å; I195-W206 HydrophobicContact CG2-CD2 3.92Å; I195-W206 HydrophobicContact CG2-CE3 3.6Å; I195-W206 HydrophobicContact CG2-CH2 4.33Å; I195-W206 HydrophobicContact CG2-CZ3 3.83Å; N196-W206 HydrophobicContact CB-CH2 4.21Å; N196-W206 HydrophobicContact CB-CZ2 3.73Å; C199-W206 HydrophobicContact CB-CG 4.05Å; C199-W206 VanDerWaalsContact SG-CD1 3.57Å; W206-E208 HydrophobicContact CE3-CB 4.35Å; W206-E208 HydrophobicContact CH2-CB 4.19Å; W206-E208 HydrophobicContact CH2-CG 4.47Å; W206-E208 HydrophobicContact CZ3-CB 3.7Å; W206-E208 HydrophobicContact CZ3-CG 4.12Å; W206-M223 VanDerWaalsContact CD1-CB 3.41Å; W206-M223 HydrophobicContact CD2-CB 3.7Å; W206-M223 HydrophobicContact CD2-CG 3.9Å; W206-M223 HydrophobicContact CE3-CG 4.32Å; W206-M223 HydrophobicContact CG-CB 3.77Å; W206-M223 HydrophobicContact CG-CG 4.46Å; W206-M223 HydrophobicContact CH2-CE 4.47Å; W206-M223 HydrophobicContact CH2-CG 4.01Å; W206-M223 HydrophobicContact CZ2-CB 3.85Å; W206-M223 HydrophobicContact CZ2-CG 3.56Å; W206-M223 HydrophobicContact CZ2-SD 4.38Å; W206-M223 HydrophobicContact CZ3-CG 4.37Å; W206-M223 PolarHBondContact N-O 3.01Å; W206-M223 CarbonylContact O-C 3.2Å; W206-M223 WeakPolarHBondContact O-CA 3.16Å; W206-M223 WeakPolarHBondContact O-CB 3.3Å; W206-M223 PolarHBondContact O-N 3Å; W206-F231 HydrophobicContact CH2-CB 4.23Å; W206-F231 HydrophobicContact CZ2-CB 4.29Å
207Y98.7Very high96.8Very high0 Ų031.7 Ų31.70%018%0.179CC..EExtended strand (participates in β ladder)trans-110.5141.3166.4-83.6-93.2000110.6L181 V182 L183 S184 Q221 L222 L269 N272 V283L181-Y207 HydrophobicContact CD1-CD2 4.18Å; L181-Y207 HydrophobicContact CD1-CE2 4.47Å; L181-Y207 HydrophobicContact CD2-CD2 4Å; L181-Y207 HydrophobicContact CD2-CE2 4.3Å; L181-Y207 HydrophobicContact CG-CD2 4.44Å; V182-Y207 PolarHBondContact O-N 2.92Å; L183-Y207 HydrophobicContact CD2-CD2 4.19Å; L183-Y207 HydrophobicContact CD2-CG 4.42Å; S184-Y207 PolarHBondContact N-O 2.74Å; Y207-Q221 CarbonylContact C-O 3.6Å; Y207-Q221 VanDerWaalsContact CA-O 3.27Å; Y207-Q221 WeakPolarHBondContact CA-O 3.25Å; Y207-Q221 WeakPolarHBondContact CD1-O 3.47Å; Y207-L222 HydrophobicContact CD1-CB 4.17Å; Y207-L222 HydrophobicContact CD2-CD1 3.94Å; Y207-L222 HydrophobicContact CE1-CB 3.61Å; Y207-L222 HydrophobicContact CE1-CD1 4.19Å; Y207-L222 HydrophobicContact CE1-CG 4.46Å; Y207-L222 HydrophobicContact CE2-CB 4.46Å; Y207-L222 HydrophobicContact CE2-CD1 3.44Å; Y207-L222 VanDerWaalsContact CE2-CD1 3.44Å; Y207-L222 HydrophobicContact CE2-CG 4.48Å; Y207-L222 HydrophobicContact CG-CD1 4.5Å; Y207-L269 VanDerWaalsContact CB-CD1 3.48Å; Y207-L269 HydrophobicContact CD1-CD1 4.18Å; Y207-L269 HydrophobicContact CG-CD1 3.93Å; Y207-N272 HydrophobicContact CE1-CB 4Å; Y207-V283 WeakPolarHBondContact OH-CG1 3.46Å
208E98.5Very high96.7Very high2 Ų228.1 Ų28.11%0.00916%0.163CC..EExtended strand (participates in β ladder)trans-97.5147.3162.4-167.8-78162.600109.5R192 W206 H219 I220 Q221 M223 F231R192-E208 IonicContact CZ-OE1 3.08Å; R192-E208 IonicContact NE-OE1 2.71Å; R192-E208 PolarHBondContact NE-OE1 2.91Å; R192-E208 IonicContact NH2-OE1 3.69Å; R192-E208 PolarHBondContact NH2-OE1 2.96Å; W206-E208 HydrophobicContact CE3-CB 4.35Å; W206-E208 HydrophobicContact CH2-CB 4.19Å; W206-E208 HydrophobicContact CH2-CG 4.47Å; W206-E208 HydrophobicContact CZ3-CB 3.7Å; W206-E208 HydrophobicContact CZ3-CG 4.12Å; E208-H219 IonicContact OE2-CD2 2.7Å; E208-H219 IonicContact OE2-CE1 2.87Å; E208-H219 IonicContact OE2-NE2 3.54Å; E208-H219 PolarHBondContact OE2-NE2 2.89Å; E208-I220 CarbonylContact O-C 3.57Å; E208-I220 VanDerWaalsContact O-CA 3.29Å; E208-I220 WeakPolarHBondContact O-CA 3.45Å; E208-Q221 PolarHBondContact N-O 3.28Å; E208-Q221 PolarHBondContact O-N 2.98Å; E208-M223 HydrophobicContact CB-CE 4.04Å; E208-F231 HydrophobicContact CG-CD2 4.28Å; E208-F231 HydrophobicContact CG-CE2 4.27Å
209S98.3Very high96.7Very high3 Ų330.2 Ų30.22%0.02117%0.173CC..EExtended strand (participates in β ladder)trans-136.9144.7168.665.30000111.3S184 R192 H219S184-S209 PolarHBondContact O-N 3.04Å; S184-S209 PolarHBondContact O-OG 3.08Å; R192-S209 PolarHBondContact NH2-O 2.89Å; S209-H219 WeakPolarHBondContact CA-O 3.39Å
210G96.4Very high96.7Very high6 Ų630.2 Ų30.26%0.06217%0.173CC..EExtended strand (participates in β ladder)trans-146.7148.7-179.900000112.8C218 H219G210-C218 CarbonylContact O-C 3.52Å; G210-C218 WeakPolarHBondContact O-CA 3.33Å; G210-C218 VanDerWaalsContact O-CB 3.25Å; G210-C218 WeakPolarHBondContact O-CB 3.49Å; G210-H219 PolarHBondContact N-O 3.34Å; G210-H219 VanDerWaalsContact N-O 3.12Å; G210-H219 PolarHBondContact O-N 2.87Å
211V96.1Very high96.7Very high45 Ų4531.2 Ų31.227%0.27318%0.178SC..EExtended strand (participates in β ladder)trans-124.6136.4171.4-178.80000107.1V88 C218 T261 V265V88-V211 HydrophobicContact CG2-CG2 3.99Å; V211-C218 HydrophobicContact CG2-CB 4.03Å; V211-T261 HydrophobicContact CG1-CG2 3.78Å; V211-V265 HydrophobicContact CG2-CB 4.47Å; V211-V265 HydrophobicContact CG2-CG1 3.7Å
212S94.6Very high96.7Very high32 Ų3228.8 Ų28.822%0.22417%0.165CC..  trans-67.9156177.753.50000112.1D214 A215 S217S212-D214 VanDerWaalsContact CB-OD1 3.26Å; S212-D214 WeakPolarHBondContact CB-OD1 3.13Å; S212-D214 PolarHBondContact O-N 2.87Å; S212-D214 PolarHBondContact OG-OD1 3.15Å; S212-A215 WeakPolarHBondContact O-CA 3.3Å; S212-A215 PolarHBondContact O-N 3.45Å; S212-S217 WeakPolarHBondContact CB-OG 3.49Å; S212-S217 PolarHBondContact N-O 3.29Å; S212-S217 PolarHBondContact OG-N 3.4Å; S212-S217 PolarHBondContact OG-O 2.81Å; S212-S217 PolarHBondContact OG-OG 3.27Å
213E91.8Very high96.7Very high149 Ų14927 Ų2770%0.69616%0.156SC*.THydrogen-bonded Turntrans-61.6-23.6-179.3-65.1-174.3166.400113.9A255 A256E213-A255 HydrophobicContact CB-CB 4.36Å; E213-A255 HydrophobicContact CG-CB 4.43Å; E213-A256 WeakPolarHBondContact O-CA 3.38Å; E213-A256 VanDerWaalsContact O-CB 3.28Å; E213-A256 WeakPolarHBondContact O-CB 3.27Å; E213-A256 PolarHBondContact O-N 3.4Å
214D92.4Very high96.7Very high94 Ų9427.7 Ų27.750%0.50315%0.149SC..THydrogen-bonded Turntrans-90.4-0.5175.362.78.3000113.3S212 V216S212-D214 VanDerWaalsContact CB-OD1 3.26Å; S212-D214 WeakPolarHBondContact CB-OD1 3.13Å; S212-D214 PolarHBondContact O-N 2.87Å; S212-D214 PolarHBondContact OG-OD1 3.15Å; D214-V216 HydrophobicContact CB-CG2 4.4Å; D214-V216 PolarHBondContact O-N 3.01Å; D214-V216 VanDerWaalsContact O-N 3.17Å; D214-V216 VanDerWaalsContact OD1-CG2 3.31Å; D214-V216 WeakPolarHBondContact OD1-CG2 3.44Å; D214-V216 PolarHBondContact OD1-N 3.38Å; D214-V216 VanDerWaalsContact OD1-N 3.12Å; D214-V216 VanDerWaalsContact OD2-CG2 3.28Å; D214-V216 WeakPolarHBondContact OD2-CG2 3.42Å
215A93.1Very high96.7Very high1 Ų127.4 Ų27.41%0.00815%0.149CC..SBendtrans58.714.7-17800000116.4S212 L258 T261S212-A215 WeakPolarHBondContact O-CA 3.3Å; S212-A215 PolarHBondContact O-N 3.45Å; A215-L258 HydrophobicContact CB-CB 4Å; A215-L258 HydrophobicContact CB-CD1 3.9Å; A215-L258 HydrophobicContact CB-CG 3.94Å; A215-T261 WeakPolarHBondContact O-CB 3.01Å; A215-T261 WeakPolarHBondContact O-CG2 3.22Å; A215-T261 PolarHBondContact O-OG1 2.82Å
216V93.8Very high96.6Very high62 Ų6227.2 Ų27.238%0.37615%0.149SC..SBendtrans-101.44.3178.9-59.20000114.6D214 A291D214-V216 HydrophobicContact CB-CG2 4.4Å; D214-V216 PolarHBondContact O-N 3.01Å; D214-V216 VanDerWaalsContact O-N 3.17Å; D214-V216 VanDerWaalsContact OD1-CG2 3.31Å; D214-V216 WeakPolarHBondContact OD1-CG2 3.44Å; D214-V216 PolarHBondContact OD1-N 3.38Å; D214-V216 VanDerWaalsContact OD1-N 3.12Å; D214-V216 VanDerWaalsContact OD2-CG2 3.28Å; D214-V216 WeakPolarHBondContact OD2-CG2 3.42Å; V216-A291 HydrophobicContact CB-CB 4.42Å; V216-A291 WeakPolarHBondContact O-CB 3.33Å; V216-A291 PolarHBondContact O-N 3.49Å
217S95.6Very high96.5Very high45 Ų4529.1 Ų29.132%0.31516%0.156SC..EExtended strand (participates in β ladder)trans-143.4151.417069.70000111.9S212 Y289S212-S217 WeakPolarHBondContact CB-OG 3.49Å; S212-S217 PolarHBondContact N-O 3.29Å; S212-S217 PolarHBondContact OG-N 3.4Å; S212-S217 PolarHBondContact OG-O 2.81Å; S212-S217 PolarHBondContact OG-OG 3.27Å; S217-Y289 CarbonylContact C-O 3.6Å; S217-Y289 VanDerWaalsContact CA-O 3.25Å; S217-Y289 WeakPolarHBondContact CA-O 3.23Å
218C97.1Very high96.4Very high3 Ų329.1 Ų29.12%0.0216%0.156CC..EExtended strand (participates in β ladder)trans-150.3164172.364.60000111G210 V211 T261 V265 G288 Y289G210-C218 CarbonylContact O-C 3.52Å; G210-C218 WeakPolarHBondContact O-CA 3.33Å; G210-C218 VanDerWaalsContact O-CB 3.25Å; G210-C218 WeakPolarHBondContact O-CB 3.49Å; V211-C218 HydrophobicContact CG2-CB 4.03Å; C218-T261 HydrophobicContact CB-CG2 4.01Å; C218-V265 HydrophobicContact CB-CB 3.84Å; C218-V265 HydrophobicContact CB-CG2 3.99Å; C218-G288 CarbonylContact O-C 3.49Å; C218-G288 WeakPolarHBondContact O-CA 3.19Å; C218-Y289 PolarHBondContact N-O 2.97Å; C218-Y289 PolarHBondContact O-N 2.91Å
219H97.9Very high96.4Very high45 Ų4529.1 Ų29.121%0.20816%0.156CC..EExtended strand (participates in β ladder)trans-151.2163.9175.871.1-68.6000111.8E208 S209 G210 V265 Y286 L287E208-H219 IonicContact OE2-CD2 2.7Å; E208-H219 IonicContact OE2-CE1 2.87Å; E208-H219 IonicContact OE2-NE2 3.54Å; E208-H219 PolarHBondContact OE2-NE2 2.89Å; S209-H219 WeakPolarHBondContact CA-O 3.39Å; G210-H219 PolarHBondContact N-O 3.34Å; G210-H219 VanDerWaalsContact N-O 3.12Å; G210-H219 PolarHBondContact O-N 2.87Å; H219-V265 WeakPolarHBondContact O-CG2 3.49Å; H219-Y286 HydrophobicContact CB-CE1 4.49Å; H219-Y286 HydrophobicContact CB-CE2 4.23Å; H219-Y286 AromaticContact CD2-CE2 3.62Å; H219-L287 CarbonylContact C-O 3.51Å; H219-L287 VanDerWaalsContact CA-O 3.26Å; H219-L287 WeakPolarHBondContact CA-O 3.41Å
220I98.4Very high96.4Very high0 Ų029 Ų290%016%0.156CC..EExtended strand (participates in β ladder)trans-128.4146.1163.461.2170.7000108.9E208 V265 L268 L269 N272 L287E208-I220 CarbonylContact O-C 3.57Å; E208-I220 VanDerWaalsContact O-CA 3.29Å; E208-I220 WeakPolarHBondContact O-CA 3.45Å; I220-V265 HydrophobicContact CG2-CG2 3.82Å; I220-L268 HydrophobicContact CD1-CB 4Å; I220-L268 WeakPolarHBondContact CD1-O 3.45Å; I220-L268 HydrophobicContact CG2-CB 4.46Å; I220-L269 HydrophobicContact CB-CD1 4.45Å; I220-L269 HydrophobicContact CG2-CB 3.87Å; I220-L269 HydrophobicContact CG2-CD1 4.08Å; I220-N272 HydrophobicContact CD1-CB 3.93Å; I220-N272 VanDerWaalsContact CD1-ND2 3.28Å; I220-N272 WeakPolarHBondContact CD1-ND2 3.46Å; I220-L287 HydrophobicContact CD1-CB 4.31Å; I220-L287 HydrophobicContact CD1-CD2 4.4Å; I220-L287 HydrophobicContact CG1-CB 3.88Å; I220-L287 PolarHBondContact N-O 3.12Å; I220-L287 PolarHBondContact O-N 2.77Å
221Q98.3Very high96.5Very high21 Ų2129.7 Ų29.710%0.09816%0.157CC..EExtended strand (participates in β ladder)trans-138.7126.6177.8-177.4172.4-17.400111Y207 E208 M223 S285 Y286Y207-Q221 CarbonylContact C-O 3.6Å; Y207-Q221 VanDerWaalsContact CA-O 3.27Å; Y207-Q221 WeakPolarHBondContact CA-O 3.25Å; Y207-Q221 WeakPolarHBondContact CD1-O 3.47Å; E208-Q221 PolarHBondContact N-O 3.28Å; E208-Q221 PolarHBondContact O-N 2.98Å; Q221-M223 HydrophobicContact CB-CE 4.18Å; Q221-M223 HydrophobicContact CG-CE 3.74Å; Q221-M223 HydrophobicContact CG-SD 4.03Å; Q221-M223 VanDerWaalsContact NE2-CE 3.35Å; Q221-S285 CarbonylContact C-O 3.57Å; Q221-S285 WeakPolarHBondContact CA-O 3.4Å; Q221-Y286 HydrophobicContact CB-CD2 4.04Å; Q221-Y286 HydrophobicContact CG-CD2 4.12Å
222L98.4Very high96.5Very high0 Ų029.8 Ų29.80%015%0.154CC..EExtended strand (participates in β ladder)trans-77.5121.9170.517966.3000109.6V205 Y207 T228 V283 S285 W334V205-L222 HydrophobicContact CG1-CD1 3.58Å; Y207-L222 HydrophobicContact CD1-CB 4.17Å; Y207-L222 HydrophobicContact CD2-CD1 3.94Å; Y207-L222 HydrophobicContact CE1-CB 3.61Å; Y207-L222 HydrophobicContact CE1-CD1 4.19Å; Y207-L222 HydrophobicContact CE1-CG 4.46Å; Y207-L222 HydrophobicContact CE2-CB 4.46Å; Y207-L222 HydrophobicContact CE2-CD1 3.44Å; Y207-L222 VanDerWaalsContact CE2-CD1 3.44Å; Y207-L222 HydrophobicContact CE2-CG 4.48Å; Y207-L222 HydrophobicContact CG-CD1 4.5Å; L222-T228 PolarHBondContact O-OG1 3.32Å; L222-V283 HydrophobicContact CD2-CG1 4.18Å; L222-S285 PolarHBondContact N-O 2.94Å; L222-W334 HydrophobicContact CD2-CE3 3.96Å; L222-W334 HydrophobicContact CD2-CH2 3.37Å; L222-W334 HydrophobicContact CD2-CZ2 4.01Å; L222-W334 HydrophobicContact CD2-CZ3 3.34Å
223M98.1Very high96.6Very high1 Ų128.5 Ų28.51%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-10897.8174.9-56.7-69.5-170.200107.8W206 E208 Q221 P225 F231W206-M223 VanDerWaalsContact CD1-CB 3.41Å; W206-M223 HydrophobicContact CD2-CB 3.7Å; W206-M223 HydrophobicContact CD2-CG 3.9Å; W206-M223 HydrophobicContact CE3-CG 4.32Å; W206-M223 HydrophobicContact CG-CB 3.77Å; W206-M223 HydrophobicContact CG-CG 4.46Å; W206-M223 HydrophobicContact CH2-CE 4.47Å; W206-M223 HydrophobicContact CH2-CG 4.01Å; W206-M223 HydrophobicContact CZ2-CB 3.85Å; W206-M223 HydrophobicContact CZ2-CG 3.56Å; W206-M223 HydrophobicContact CZ2-SD 4.38Å; W206-M223 HydrophobicContact CZ3-CG 4.37Å; W206-M223 PolarHBondContact N-O 3.01Å; W206-M223 CarbonylContact O-C 3.2Å; W206-M223 WeakPolarHBondContact O-CA 3.16Å; W206-M223 WeakPolarHBondContact O-CB 3.3Å; W206-M223 PolarHBondContact O-N 3Å; E208-M223 HydrophobicContact CB-CE 4.04Å; Q221-M223 HydrophobicContact CB-CE 4.18Å; Q221-M223 HydrophobicContact CG-CE 3.74Å; Q221-M223 HydrophobicContact CG-SD 4.03Å; Q221-M223 VanDerWaalsContact NE2-CE 3.35Å; M223-P225 WeakPolarHBondContact O-CD 3.31Å; M223-F231 HydrophobicContact CE-CB 4.12Å; M223-F231 HydrophobicContact CE-CD2 3.86Å; M223-F231 HydrophobicContact CE-CG 4.49Å
224Y97.8Very high96.8Very high45 Ų4526.2 Ų26.218%0.17614%0.137CC..  trans-108.798.3177.2-160.5-34.6000107.1V205 G226 R227 T228 Y276 W334V205-Y224 HydrophobicContact CG1-CD2 4.29Å; V205-Y224 HydrophobicContact CG1-CG 4.34Å; V205-Y224 HydrophobicContact CG2-CD1 3.65Å; V205-Y224 HydrophobicContact CG2-CD2 4Å; V205-Y224 HydrophobicContact CG2-CE1 3.58Å; V205-Y224 HydrophobicContact CG2-CE2 3.96Å; V205-Y224 HydrophobicContact CG2-CG 3.84Å; Y224-G226 PolarHBondContact O-N 3.45Å; Y224-G226 VanDerWaalsContact O-N 3.17Å; Y224-R227 HydrophobicContact CD1-CB 4.18Å; Y224-R227 HydrophobicContact CD1-CG 3.8Å; Y224-R227 HydrophobicContact CE1-CG 4.13Å; Y224-R227 HydrophobicContact CG-CB 4.1Å; Y224-R227 HydrophobicContact CG-CG 4.16Å; Y224-R227 PolarHBondContact O-N 3.19Å; Y224-T228 PolarHBondContact N-OG1 2.85Å; Y224-T228 PolarHBondContact O-N 2.94Å; Y224-Y276 HydrophobicContact CE2-CE2 4.45Å; Y224-W334 HydrophobicContact CD2-CE3 4.29Å; Y224-W334 HydrophobicContact CD2-CZ3 4.39Å
225P98.1Very high96.9Very high13 Ų1323.9 Ų23.98%0.08413%0.127CC..THydrogen-bonded Turntrans-50.3122.8-171.5-29.535.8000112.8Q204 M223 R227 R315Q204-P225 WeakPolarHBondContact O-CD 3.22Å; Q204-P225 VanDerWaalsContact O-CG 3.31Å; Q204-P225 WeakPolarHBondContact O-CG 3.48Å; M223-P225 WeakPolarHBondContact O-CD 3.31Å; P225-R227 VanDerWaalsContact C-N 3.29Å; P225-R227 PolarHBondContact O-N 3.2Å; P225-R315 HydrophobicContact CB-CB 4.14Å; P225-R315 HydrophobicContact CB-CG 3.82Å
226G96.7Very high96.9Very high4 Ų425.6 Ų25.64%0.04114%0.138CC..THydrogen-bonded Turntrans85.6-20.4-17900000115.8Y224 W319Y224-G226 PolarHBondContact O-N 3.45Å; Y224-G226 VanDerWaalsContact O-N 3.17Å; G226-W319 VanDerWaalsContact O-CD1 3.27Å
227R96.6Very high96.9Very high40 Ų4029.7 Ų29.715%0.15116%0.157CC..THydrogen-bonded Turntrans-101.5-44-179.5-51.7-167.6-179.3-158.1-4.9112.8Y224 P225 W319 W334 E337Y224-R227 HydrophobicContact CD1-CB 4.18Å; Y224-R227 HydrophobicContact CD1-CG 3.8Å; Y224-R227 HydrophobicContact CE1-CG 4.13Å; Y224-R227 HydrophobicContact CG-CB 4.1Å; Y224-R227 HydrophobicContact CG-CG 4.16Å; Y224-R227 PolarHBondContact O-N 3.19Å; P225-R227 VanDerWaalsContact C-N 3.29Å; P225-R227 PolarHBondContact O-N 3.2Å; R227-W319 HydrophobicContact CG-CD2 3.72Å; R227-W319 HydrophobicContact CG-CE3 4Å; R227-W319 HydrophobicContact CG-CG 3.95Å; R227-W319 HydrophobicContact CG-CZ2 4.41Å; R227-W319 HydrophobicContact CG-CZ3 4.46Å; R227-W319 VanDerWaalsContact NH2-CZ3 3.29Å; R227-W334 HydrophobicContact CB-CB 3.93Å; R227-W334 WeakPolarHBondContact O-CB 3.43Å; R227-E337 IonicContact CZ-OE2 3.52Å; R227-E337 VanDerWaalsContact CZ-OE2 3.28Å; R227-E337 IonicContact NH1-OE2 2.76Å; R227-E337 PolarHBondContact NH1-OE2 3.42Å; R227-E337 IonicContact NH2-OE2 3.45Å; R227-E337 PolarHBondContact NH2-OE2 2.94Å
228T97.4Very high96.8Very high1 Ų128.5 Ų28.51%0.00615%0.147CC..SBendtrans-112.9161.4172.968.30000109.9L222 Y224 C230 W334L222-T228 PolarHBondContact O-OG1 3.32Å; Y224-T228 PolarHBondContact N-OG1 2.85Å; Y224-T228 PolarHBondContact O-N 2.94Å; T228-C230 PolarHBondContact O-N 3.29Å; T228-W334 HydrophobicContact CG2-CB 3.69Å; T228-W334 HydrophobicContact CG2-CD2 3.78Å; T228-W334 HydrophobicContact CG2-CE3 4.22Å; T228-W334 HydrophobicContact CG2-CG 3.52Å
229P97.6Very high96.6Very high1 Ų130.2 Ų30.21%0.00616%0.157CC..  trans-61.8131.417610.9-14.4000110.2C233 L234 L301 K302P229-C233 HydrophobicContact CB-CB 3.48Å; P229-C233 VanDerWaalsContact CB-CB 3.48Å; P229-L234 HydrophobicContact CB-CD1 4.26Å; P229-L234 HydrophobicContact CB-CG 4.48Å; P229-L234 HydrophobicContact CG-CD1 4.19Å; P229-L301 WeakPolarHBondContact CD-O 3.12Å; P229-L301 HydrophobicContact CG-CB 3.38Å; P229-K302 WeakPolarHBondContact CG-O 3.37Å
230C98.2Very high96.4Very high2 Ų231.3 Ų31.31%0.01418%0.175CC..  trans-73.4172.1168.682.30000109.7N196 T228 E232 C233 C312N196-C230 WeakPolarHBondContact OD1-CB 3.45Å; T228-C230 PolarHBondContact O-N 3.29Å; C230-E232 PolarHBondContact O-N 3.22Å; C230-C233 PolarHBondContact N-SG 3.29Å; C230-C233 VanDerWaalsContact O-CB 3.3Å; C230-C233 WeakPolarHBondContact O-CB 3.46Å; C230-C233 PolarHBondContact O-N 3.08Å; C230-C312 VanDerWaalsContact SG-SG 3.61Å
231F97.5Very high96.1Very high19 Ų1934.2 Ų34.28%0.08320%0.195CC..G310 helixtrans-61.2-31.6-177.4-163.4-96.4000112.6F189 R192 M193 N196 W206 E208 M223 L234 P236F189-F231 HydrophobicContact CD1-CE1 4.09Å; F189-F231 AromaticContact CD1-CZ 3.74Å; F189-F231 HydrophobicContact CD1-CZ 3.74Å; F189-F231 HydrophobicContact CE1-CZ 4.13Å; R192-F231 HydrophobicContact CB-CD1 4.28Å; R192-F231 HydrophobicContact CB-CD2 4.49Å; R192-F231 HydrophobicContact CB-CE1 4.06Å; R192-F231 HydrophobicContact CB-CE2 4.3Å; R192-F231 HydrophobicContact CB-CG 4.5Å; R192-F231 HydrophobicContact CB-CZ 4.09Å; R192-F231 HydrophobicContact CG-CE2 4.5Å; R192-F231 HydrophobicContact CG-CZ 4.45Å; M193-F231 HydrophobicContact CG-CD1 4.35Å; M193-F231 HydrophobicContact SD-CD1 3.58Å; M193-F231 VanDerWaalsContact SD-CD1 3.58Å; M193-F231 HydrophobicContact SD-CE1 4.2Å; N196-F231 HydrophobicContact CB-CB 3.89Å; N196-F231 PolarHBondContact OD1-N 3.16Å; W206-F231 HydrophobicContact CH2-CB 4.23Å; W206-F231 HydrophobicContact CZ2-CB 4.29Å; E208-F231 HydrophobicContact CG-CD2 4.28Å; E208-F231 HydrophobicContact CG-CE2 4.27Å; M223-F231 HydrophobicContact CE-CB 4.12Å; M223-F231 HydrophobicContact CE-CD2 3.86Å; M223-F231 HydrophobicContact CE-CG 4.49Å; F231-L234 CarbonylContact O-C 3.21Å; F231-P236 HydrophobicContact CE1-CG 4.39Å; F231-P236 HydrophobicContact CZ-CG 4.4Å
232E96.6Very high95.7Very high47 Ų4736.6 Ų36.622%0.2223%0.225CC..G310 helixtrans-84.9-4.9177.9-165.1165.7-175.800113.6M193 C230 P235 A308 D309M193-E232 HydrophobicContact CE-CB 4.03Å; M193-E232 HydrophobicContact CE-CG 3.94Å; M193-E232 WeakPolarHBondContact CE-OE2 3.39Å; M193-E232 HydrophobicContact SD-CB 4.47Å; C230-E232 PolarHBondContact O-N 3.22Å; E232-P235 WeakPolarHBondContact O-CD 3.28Å; E232-A308 HydrophobicContact CG-CB 4.18Å; E232-A308 WeakPolarHBondContact OE1-CB 3.2Å; E232-D309 WeakPolarHBondContact OE2-CB 3.31Å
233C97.6Very high95.3Very high6 Ų641.6 Ų41.64%0.04125%0.251CS..G310 helixtrans-71.9-34.2169.2-74.20000111.7P229 C230 P235 N304P229-C233 HydrophobicContact CB-CB 3.48Å; P229-C233 VanDerWaalsContact CB-CB 3.48Å; C230-C233 PolarHBondContact N-SG 3.29Å; C230-C233 VanDerWaalsContact O-CB 3.3Å; C230-C233 WeakPolarHBondContact O-CB 3.46Å; C230-C233 PolarHBondContact O-N 3.08Å; C233-P235 VanDerWaalsContact C-CD 3.49Å; C233-N304 HydrophobicContact CB-CB 3.79Å; C233-N304 PolarHBondContact SG-N 3.21Å; C233-N304 VanDerWaalsContact SG-N 3.37Å
234L95.1Very high94.8Very high100 Ų10045.4 Ų45.452%0.52427%0.271SS..SBendtrans-132.261.1-178.2-62.1172000109.6P229 F231 L301P229-L234 HydrophobicContact CB-CD1 4.26Å; P229-L234 HydrophobicContact CB-CG 4.48Å; P229-L234 HydrophobicContact CG-CD1 4.19Å; F231-L234 CarbonylContact O-C 3.21Å; L234-L301 HydrophobicContact CD1-CB 4.43Å; L234-L301 HydrophobicContact CD1-CD1 3.81Å; L234-L301 HydrophobicContact CD1-CD2 4.33Å; L234-L301 HydrophobicContact CD1-CG 4.42Å
235P94.5Very high94.3Very high46 Ų4644.6 Ų44.630%0.29927%0.269SS..  trans-67.3142.8-17428.6-33.6000110.6E232 C233 V239 A240E232-P235 WeakPolarHBondContact O-CD 3.28Å; C233-P235 VanDerWaalsContact C-CD 3.49Å; P235-V239 HydrophobicContact CB-CB 4.15Å; P235-V239 HydrophobicContact CB-CG1 3.94Å; P235-A240 HydrophobicContact CB-CB 4.4Å; P235-A240 HydrophobicContact CG-CB 4.05Å
236P93.7Very high93.7Very high37 Ų3750.7 Ų50.724%0.2429%0.294CS..  trans-62.8155.917029.1-35.3000110.1F189 F231 I238 V239 A240F189-P236 HydrophobicContact CD1-CG 3.76Å; F189-P236 HydrophobicContact CE1-CB 4.22Å; F189-P236 HydrophobicContact CE1-CG 3.64Å; F189-P236 HydrophobicContact CE2-CG 4.44Å; F189-P236 HydrophobicContact CG-CG 4.23Å; F189-P236 HydrophobicContact CZ-CB 4.2Å; F189-P236 HydrophobicContact CZ-CG 4Å; F231-P236 HydrophobicContact CE1-CG 4.39Å; F231-P236 HydrophobicContact CZ-CG 4.4Å; P236-I238 HydrophobicContact CB-CG2 4.45Å; P236-I238 HydrophobicContact CG-CG2 4.29Å; P236-I238 PolarHBondContact O-N 3.47Å; P236-I238 VanDerWaalsContact O-N 3.08Å; P236-V239 HydrophobicContact CG-CB 4.04Å; P236-V239 HydrophobicContact CG-CG2 3.7Å; P236-V239 PolarHBondContact O-N 2.97Å; P236-A240 PolarHBondContact O-N 3.09Å
237L94Very high93Very high147 Ų14755.3 Ų55.377%0.7732%0.322SS*.Hα-helixtrans-52.1-38.9-175.1-18061.7000113.1V239 A240 S241L237-V239 PolarHBondContact O-N 3.04Å; L237-A240 PolarHBondContact O-N 3.12Å; L237-S241 VanDerWaalsContact O-CB 3.31Å; L237-S241 WeakPolarHBondContact O-CB 3.36Å; L237-S241 PolarHBondContact O-N 3.48Å; L237-S241 PolarHBondContact O-OG 3.02Å
238I92.3Very high92.3Very high20 Ų2058 Ų5810%0.10334%0.339CS..Hα-helixtrans-62.7-41179.5-166.474000112.2F189 P236 S241 G242 L243 L248F189-I238 HydrophobicContact CD2-CG2 3.48Å; F189-I238 VanDerWaalsContact CD2-CG2 3.48Å; F189-I238 HydrophobicContact CE2-CG2 3.57Å; F189-I238 HydrophobicContact CG-CG2 4.33Å; F189-I238 HydrophobicContact CZ-CG2 4.47Å; P236-I238 HydrophobicContact CB-CG2 4.45Å; P236-I238 HydrophobicContact CG-CG2 4.29Å; P236-I238 PolarHBondContact O-N 3.47Å; P236-I238 VanDerWaalsContact O-N 3.08Å; I238-S241 PolarHBondContact O-OG 3.12Å; I238-G242 PolarHBondContact O-N 3.37Å; I238-L243 HydrophobicContact CD1-CB 3.37Å; I238-L243 HydrophobicContact CD1-CD1 3.93Å; I238-L243 HydrophobicContact CD1-CG 4.3Å; I238-L243 HydrophobicContact CG1-CB 4.11Å; I238-L243 PolarHBondContact O-N 3.44Å; I238-L248 HydrophobicContact CB-CD1 4.47Å; I238-L248 HydrophobicContact CD1-CD1 3.77Å; I238-L248 HydrophobicContact CD1-CD2 4.2Å; I238-L248 HydrophobicContact CD1-CG 3.97Å; I238-L248 HydrophobicContact CG1-CD1 3.94Å
239V93.2Very high91.4Very high39 Ų3963.7 Ų63.724%0.23636%0.364CS..Hα-helixtrans-71.9-45.1176.5173.70000110.2F189 M193 P235 P236 L237 S241 G242F189-V239 HydrophobicContact CB-CG2 3.72Å; F189-V239 HydrophobicContact CG-CG2 4.09Å; M193-V239 HydrophobicContact CE-CG1 4.33Å; M193-V239 HydrophobicContact CG-CG1 4.34Å; M193-V239 HydrophobicContact SD-CG1 4.02Å; P235-V239 HydrophobicContact CB-CB 4.15Å; P235-V239 HydrophobicContact CB-CG1 3.94Å; P236-V239 HydrophobicContact CG-CB 4.04Å; P236-V239 HydrophobicContact CG-CG2 3.7Å; P236-V239 PolarHBondContact O-N 2.97Å; L237-V239 PolarHBondContact O-N 3.04Å; V239-S241 VanDerWaalsContact C-N 3.25Å; V239-S241 PolarHBondContact O-N 2.91Å; V239-G242 PolarHBondContact O-N 2.98Å; V239-G242 VanDerWaalsContact O-N 3.11Å
240A93.6Very high90.4Very high69 Ų6973.3 Ų73.357%0.5740%0.4SS*.Hα-helixtrans-62.3-32.1-179.500000113.2P235 P236 L237P235-A240 HydrophobicContact CB-CB 4.4Å; P235-A240 HydrophobicContact CG-CB 4.05Å; P236-A240 PolarHBondContact O-N 3.09Å; L237-A240 PolarHBondContact O-N 3.12Å
241S93.2Very high89.1Confident61 Ų6182.8 Ų82.843%0.42744%0.444SS..THydrogen-bonded Turntrans-85.4-5.4178.355.70000114L237 I238 V239 L243L237-S241 VanDerWaalsContact O-CB 3.31Å; L237-S241 WeakPolarHBondContact O-CB 3.36Å; L237-S241 PolarHBondContact O-N 3.48Å; L237-S241 PolarHBondContact O-OG 3.02Å; I238-S241 PolarHBondContact O-OG 3.12Å; V239-S241 VanDerWaalsContact C-N 3.25Å; V239-S241 PolarHBondContact O-N 2.91Å; S241-L243 PolarHBondContact O-N 3.46Å; S241-L243 WeakPolarHBondContact OG-CD1 3.43Å; S241-L243 WeakPolarHBondContact OG-CG 3.41Å
242G89.9Confident87.7Confident70 Ų7086.2 Ų86.272%0.72248%0.484SS*.THydrogen-bonded Turntrans6719.1-177.500000114I238 V239I238-G242 PolarHBondContact O-N 3.37Å; V239-G242 PolarHBondContact O-N 2.98Å; V239-G242 VanDerWaalsContact O-N 3.11Å
243L90.1Very high86.6Confident105 Ų10589.1 Ų89.155%0.5551%0.505SS..  trans-78.9142.9177.2-69.9175.6000110.3I238 S241 E245I238-L243 HydrophobicContact CD1-CB 3.37Å; I238-L243 HydrophobicContact CD1-CD1 3.93Å; I238-L243 HydrophobicContact CD1-CG 4.3Å; I238-L243 HydrophobicContact CG1-CB 4.11Å; I238-L243 PolarHBondContact O-N 3.44Å; S241-L243 PolarHBondContact O-N 3.46Å; S241-L243 WeakPolarHBondContact OG-CD1 3.43Å; S241-L243 WeakPolarHBondContact OG-CG 3.41Å; L243-E245 PolarHBondContact O-N 3.32Å
244D87.8Confident85.4Confident81 Ų8193.7 Ų93.743%0.43354%0.536SS..  trans-75.3122.7175.2-176.5-6000110K246 T247D244-K246 PolarHBondContact O-N 2.93Å; D244-K246 VanDerWaalsContact O-N 3.11Å; D244-K246 WeakPolarHBondContact OD1-CB 3.4Å; D244-K246 WeakPolarHBondContact OD1-CG 3.49Å; D244-K246 PolarHBondContact OD1-N 2.96Å; D244-T247 HydrophobicContact CB-CG2 4.22Å; D244-T247 WeakPolarHBondContact O-CB 3.24Å; D244-T247 WeakPolarHBondContact O-CG2 3.14Å; D244-T247 PolarHBondContact O-N 3.39Å; D244-T247 PolarHBondContact O-OG1 2.93Å
245E87.2Confident84.7Confident29 Ų2991.2 Ų91.214%0.13653%0.53CS..G310 helixtrans-55.2-28.8176.9-170.5-166.8137.900112.2N188 F189 L243 T247 L248 K249N188-E245 WeakPolarHBondContact CA-OE2 3.49Å; N188-E245 WeakPolarHBondContact CB-OE1 3.23Å; N188-E245 WeakPolarHBondContact CB-OE2 3.48Å; F189-E245 HydrophobicContact CD2-CG 4.19Å; F189-E245 PolarHBondContact N-OE2 3.42Å; L243-E245 PolarHBondContact O-N 3.32Å; E245-T247 PolarHBondContact O-N 3.16Å; E245-T247 VanDerWaalsContact O-N 3.12Å; E245-L248 WeakPolarHBondContact O-CB 3.22Å; E245-L248 PolarHBondContact O-N 3.07Å; E245-K249 WeakPolarHBondContact OE1-CE 3.36Å; E245-K249 IonicContact OE1-NZ 3.72Å; E245-K249 PolarHBondContact OE1-NZ 3Å; E245-K249 VanDerWaalsContact OE1-NZ 3.08Å
246K84.1Confident84Confident140 Ų14091.7 Ų91.761%0.60954%0.538SS*.G310 helixtrans-60-23.6176.3-64.5171-170.6162.30112.5D244 L248 K249D244-K246 PolarHBondContact O-N 2.93Å; D244-K246 VanDerWaalsContact O-N 3.11Å; D244-K246 WeakPolarHBondContact OD1-CB 3.4Å; D244-K246 WeakPolarHBondContact OD1-CG 3.49Å; D244-K246 PolarHBondContact OD1-N 2.96Å; K246-L248 VanDerWaalsContact C-N 3.26Å; K246-L248 PolarHBondContact O-N 3.06Å; K246-K249 PolarHBondContact O-N 3.37Å
247T83.7Confident83.4Confident102 Ų10291 Ų9163%0.62653%0.533SS*.G310 helixtrans-71.8-19.4175.266.80000113.4D244 E245D244-T247 HydrophobicContact CB-CG2 4.22Å; D244-T247 WeakPolarHBondContact O-CB 3.24Å; D244-T247 WeakPolarHBondContact O-CG2 3.14Å; D244-T247 PolarHBondContact O-N 3.39Å; D244-T247 PolarHBondContact O-OG1 2.93Å; E245-T247 PolarHBondContact O-N 3.16Å; E245-T247 VanDerWaalsContact O-N 3.12Å
248L81.9Confident83.3Confident97 Ų9787.9 Ų87.951%0.50852%0.517SS..THydrogen-bonded Turntrans-83.2-32.2176-61177.1000112.4I238 E245 K246 R250I238-L248 HydrophobicContact CB-CD1 4.47Å; I238-L248 HydrophobicContact CD1-CD1 3.77Å; I238-L248 HydrophobicContact CD1-CD2 4.2Å; I238-L248 HydrophobicContact CD1-CG 3.97Å; I238-L248 HydrophobicContact CG1-CD1 3.94Å; E245-L248 WeakPolarHBondContact O-CB 3.22Å; E245-L248 PolarHBondContact O-N 3.07Å; K246-L248 VanDerWaalsContact C-N 3.26Å; K246-L248 PolarHBondContact O-N 3.06Å; L248-R250 PolarHBondContact O-N 3.48Å
249K78.4Confident83.4Confident120 Ų12089 Ų8952%0.52253%0.526SS..  trans-75.2111.8-176.1-65.7-174.5-177.4175.60110E245 K246E245-K249 WeakPolarHBondContact OE1-CE 3.36Å; E245-K249 IonicContact OE1-NZ 3.72Å; E245-K249 PolarHBondContact OE1-NZ 3Å; E245-K249 VanDerWaalsContact OE1-NZ 3.08Å; K246-K249 PolarHBondContact O-N 3.37Å
250R75.2Confident83.5Confident202 Ų20291.8 Ų91.876%0.76254%0.543SS*.  trans-87.3133.4172-65.2-178.1-177173.51.7109.7L248 G252 V253L248-R250 PolarHBondContact O-N 3.48Å; R250-G252 PolarHBondContact O-N 3.38Å; R250-V253 HydrophobicContact CB-CB 4.26Å; R250-V253 HydrophobicContact CB-CG2 3.8Å; R250-V253 PolarHBondContact O-N 3.45Å; R250-V253 VanDerWaalsContact O-N 3.1Å
251E71.1Confident83.6Confident202 Ų20288.8 Ų88.894%0.94452%0.518SS*.THydrogen-bonded Turntrans-56136.7174.2-69.2-168.7163.400111.1V253E251-V253 VanDerWaalsContact C-N 3.25Å; E251-V253 PolarHBondContact O-N 3.18Å
252G68.8Low83.8Confident90 Ų9086.8 Ų86.893%0.92850%0.502SS*.THydrogen-bonded Turntrans79.5-4.3-177.600000115.4R250R250-G252 PolarHBondContact O-N 3.38Å
253V73.3Confident84.1Confident108 Ų10884.6 Ų84.666%0.65548%0.477SS*.PPolyproline II helixtrans-99.1116.8173.6-175.70000109R250 E251R250-V253 HydrophobicContact CB-CB 4.26Å; R250-V253 HydrophobicContact CB-CG2 3.8Å; R250-V253 PolarHBondContact O-N 3.45Å; R250-V253 VanDerWaalsContact O-N 3.1Å; E251-V253 VanDerWaalsContact C-N 3.25Å; E251-V253 PolarHBondContact O-N 3.18Å
254C73.2Confident84.4Confident102 Ų10281.6 Ų81.669%0.68946%0.462SS*.PPolyproline II helixtrans-102.5142171.7-170.60000109A256C254-A256 PolarHBondContact O-N 3.4Å
255A79Confident84.9Confident49 Ų4977.8 Ų77.841%0.40544%0.441SS..PPolyproline II helixtrans-57.8133.8168.200000109.4E213 S257E213-A255 HydrophobicContact CB-CB 4.36Å; E213-A255 HydrophobicContact CG-CB 4.43Å; A255-S257 PolarHBondContact O-N 2.82Å
256A80.7Confident85.4Confident56 Ų5676.4 Ų76.446%0.46343%0.434SS..PPolyproline II helixtrans-59.5136.8170.500000107.9E213 C254E213-A256 WeakPolarHBondContact O-CA 3.38Å; E213-A256 VanDerWaalsContact O-CB 3.28Å; E213-A256 WeakPolarHBondContact O-CB 3.27Å; E213-A256 PolarHBondContact O-N 3.4Å; C254-A256 PolarHBondContact O-N 3.4Å
257S81.5Confident86.1Confident21 Ų2172.2 Ų72.215%0.14742%0.423CS..  trans-139.2116.8-179.156.40000110N118 R119 A255 M262N118-S257 PolarHBondContact ND2-O 3.49Å; N118-S257 PolarHBondContact ND2-OG 3.42Å; R119-S257 PolarHBondContact NE-OG 3.42Å; R119-S257 PolarHBondContact NH2-OG 3.34Å; A255-S257 PolarHBondContact O-N 2.82Å; S257-M262 VanDerWaalsContact CB-CE 3.4Å
258L91.1Very high86.8Confident82 Ų8268.9 Ų68.943%0.42940%0.401SS..  trans-102.6129.2177.7-77167.5000109.7A215 T260 T261 M262A215-L258 HydrophobicContact CB-CB 4Å; A215-L258 HydrophobicContact CB-CD1 3.9Å; A215-L258 HydrophobicContact CB-CG 3.94Å; L258-T260 PolarHBondContact O-N 3.44Å; L258-T261 PolarHBondContact O-N 3.17Å; L258-M262 WeakPolarHBondContact O-CG 3.41Å; L258-M262 PolarHBondContact O-N 3.25Å; L258-M262 VanDerWaalsContact O-N 3.15Å
259P94.8Very high87.6Confident45 Ų4564.2 Ų64.229%0.29238%0.377SS..Hα-helixtrans-61.3-28.217724.6-33.1000112N118 L120 A263N118-P259 WeakPolarHBondContact O-CD 3.35Å; L120-P259 HydrophobicContact CD2-CB 4.35Å; L120-P259 HydrophobicContact CG-CB 4.19Å; P259-A263 WeakPolarHBondContact O-CB 3.4Å; P259-A263 PolarHBondContact O-N 3.24Å
260T95.9Very high88.6Confident96 Ų9658.8 Ų58.859%0.58935%0.354SS*.Hα-helixtrans-66.3-52177.2500000112.1L258 M262 A263 L264L258-T260 PolarHBondContact O-N 3.44Å; T260-M262 VanDerWaalsContact C-N 3.3Å; T260-M262 PolarHBondContact O-N 2.88Å; T260-A263 PolarHBondContact O-N 3.03Å; T260-L264 WeakPolarHBondContact O-CB 3.37Å; T260-L264 PolarHBondContact O-N 3.39Å
261T95.1Very high89.7Confident6 Ų653.8 Ų53.84%0.03734%0.339CS..Hα-helixtrans-63.3-39.2179.1-47.40000111V211 A215 C218 L258 L264 V265V211-T261 HydrophobicContact CG1-CG2 3.78Å; A215-T261 WeakPolarHBondContact O-CB 3.01Å; A215-T261 WeakPolarHBondContact O-CG2 3.22Å; A215-T261 PolarHBondContact O-OG1 2.82Å; C218-T261 HydrophobicContact CB-CG2 4.01Å; L258-T261 PolarHBondContact O-N 3.17Å; T261-L264 PolarHBondContact O-N 3.07Å; T261-V265 WeakPolarHBondContact O-CG1 3.42Å; T261-V265 PolarHBondContact O-N 3.37Å
262M96.2Very high91Very high19 Ų1944.3 Ų44.39%0.09430%0.295CS..Hα-helixtrans-64.3-44.5174.7-70.2176.6166.200112.5V88 R119 S257 L258 T260 L264 V265 S266V88-M262 HydrophobicContact CG2-CB 4.41Å; V88-M262 HydrophobicContact CG2-CG 4.28Å; R119-M262 HydrophobicContact CB-SD 4.22Å; R119-M262 HydrophobicContact CG-CE 4.37Å; R119-M262 HydrophobicContact CG-SD 3.66Å; S257-M262 VanDerWaalsContact CB-CE 3.4Å; L258-M262 WeakPolarHBondContact O-CG 3.41Å; L258-M262 PolarHBondContact O-N 3.25Å; L258-M262 VanDerWaalsContact O-N 3.15Å; T260-M262 VanDerWaalsContact C-N 3.3Å; T260-M262 PolarHBondContact O-N 2.88Å; M262-L264 VanDerWaalsContact C-N 3.35Å; M262-V265 VanDerWaalsContact O-CG1 3.3Å; M262-V265 WeakPolarHBondContact O-CG1 3.33Å; M262-S266 WeakPolarHBondContact O-CB 3.44Å; M262-S266 PolarHBondContact O-N 3.4Å; M262-S266 PolarHBondContact O-OG 2.89Å
263A97Very high92.4Very high25 Ų2540 Ų4021%0.20725%0.251CS..Hα-helixtrans-64.6-39.8176.600000111.8L120 P259 T260 S266 S267L120-A263 HydrophobicContact CD1-CB 3.96Å; P259-A263 WeakPolarHBondContact O-CB 3.4Å; P259-A263 PolarHBondContact O-N 3.24Å; T260-A263 PolarHBondContact O-N 3.03Å; A263-S266 PolarHBondContact O-N 2.76Å; A263-S267 WeakPolarHBondContact O-CB 3.5Å; A263-S267 PolarHBondContact O-N 3.39Å; A263-S267 PolarHBondContact O-OG 3.08Å
264L97Very high93.6Very high42 Ų4235.6 Ų35.622%0.2222%0.223CC..Hα-helixtrans-63.3-52.8177.9-173.1152.7000111T260 T261 M262 S266 S267 L268 Y289 F296T260-L264 WeakPolarHBondContact O-CB 3.37Å; T260-L264 PolarHBondContact O-N 3.39Å; T261-L264 PolarHBondContact O-N 3.07Å; M262-L264 VanDerWaalsContact C-N 3.35Å; L264-S266 VanDerWaalsContact C-N 3.3Å; L264-S266 PolarHBondContact O-N 2.79Å; L264-S267 WeakPolarHBondContact O-CB 3.19Å; L264-S267 PolarHBondContact O-N 2.81Å; L264-S267 VanDerWaalsContact O-N 3.14Å; L264-L268 HydrophobicContact CD2-CD1 3.61Å; L264-L268 HydrophobicContact CD2-CG 4.08Å; L264-L268 WeakPolarHBondContact O-CG 3.37Å; L264-L268 PolarHBondContact O-N 2.92Å; L264-Y289 HydrophobicContact CD1-CD1 3.78Å; L264-Y289 HydrophobicContact CD1-CE1 3.45Å; L264-Y289 VanDerWaalsContact CD1-CE1 3.45Å; L264-Y289 HydrophobicContact CD1-CE2 4.28Å; L264-Y289 HydrophobicContact CD1-CG 4.3Å; L264-Y289 HydrophobicContact CD2-CD1 3.57Å; L264-Y289 HydrophobicContact CD2-CE1 4.15Å; L264-Y289 HydrophobicContact CD2-CG 3.81Å; L264-Y289 HydrophobicContact CG-CD1 4.33Å; L264-Y289 HydrophobicContact CG-CE1 4.43Å; L264-F296 HydrophobicContact CD1-CZ 4.35Å; L264-F296 HydrophobicContact CD2-CE1 4.32Å
265V97.8Very high94.8Very high0 Ų032 Ų320%020%0.196CC..Hα-helixtrans-62.8-37.9179700000111.7V88 V211 C218 H219 I220 T261 M262 S267 L268 L269V88-V265 HydrophobicContact CB-CG1 4.31Å; V88-V265 HydrophobicContact CG1-CG1 3.88Å; V88-V265 HydrophobicContact CG2-CG1 3.47Å; V88-V265 VanDerWaalsContact CG2-CG1 3.47Å; V211-V265 HydrophobicContact CG2-CB 4.47Å; V211-V265 HydrophobicContact CG2-CG1 3.7Å; C218-V265 HydrophobicContact CB-CB 3.84Å; C218-V265 HydrophobicContact CB-CG2 3.99Å; H219-V265 WeakPolarHBondContact O-CG2 3.49Å; I220-V265 HydrophobicContact CG2-CG2 3.82Å; T261-V265 WeakPolarHBondContact O-CG1 3.42Å; T261-V265 PolarHBondContact O-N 3.37Å; M262-V265 VanDerWaalsContact O-CG1 3.3Å; M262-V265 WeakPolarHBondContact O-CG1 3.33Å; V265-S267 VanDerWaalsContact C-N 3.34Å; V265-S267 PolarHBondContact O-N 3.42Å; V265-L268 PolarHBondContact O-N 3.39Å; V265-L269 VanDerWaalsContact O-CB 3.27Å; V265-L269 WeakPolarHBondContact O-CB 3.41Å; V265-L269 PolarHBondContact O-N 2.96Å
266S98.5Very high95.7Very high0 Ų031 Ų310%018%0.181CC..Hα-helixtrans-61.3-43.4174.7-54.80000111.5V88 M262 A263 L264 L269 V270V88-S266 WeakPolarHBondContact CA-OG 3.32Å; V88-S266 PolarHBondContact O-OG 2.93Å; V88-S266 VanDerWaalsContact O-OG 3.05Å; M262-S266 WeakPolarHBondContact O-CB 3.44Å; M262-S266 PolarHBondContact O-N 3.4Å; M262-S266 PolarHBondContact O-OG 2.89Å; A263-S266 PolarHBondContact O-N 2.76Å; L264-S266 VanDerWaalsContact C-N 3.3Å; L264-S266 PolarHBondContact O-N 2.79Å; S266-L269 PolarHBondContact O-N 2.96Å; S266-V270 WeakPolarHBondContact O-CB 3.41Å; S266-V270 VanDerWaalsContact O-CG2 3.31Å; S266-V270 WeakPolarHBondContact O-CG2 3.29Å; S266-V270 PolarHBondContact O-N 2.9Å
267S98.2Very high96.5Very high52 Ų5228.8 Ų28.836%0.36416%0.162SC..Hα-helixtrans-63.2-44.8177.4-56.20000111.5M95 A263 L264 V265 L269 Q271M95-S267 WeakPolarHBondContact CE-OG 3.23Å; A263-S267 WeakPolarHBondContact O-CB 3.5Å; A263-S267 PolarHBondContact O-N 3.39Å; A263-S267 PolarHBondContact O-OG 3.08Å; L264-S267 WeakPolarHBondContact O-CB 3.19Å; L264-S267 PolarHBondContact O-N 2.81Å; L264-S267 VanDerWaalsContact O-N 3.14Å; V265-S267 VanDerWaalsContact C-N 3.34Å; V265-S267 PolarHBondContact O-N 3.42Å; S267-L269 VanDerWaalsContact C-N 3.35Å; S267-Q271 WeakPolarHBondContact O-CB 3.45Å; S267-Q271 PolarHBondContact O-N 3.49Å
268L98.2Very high97.2Very high32 Ų3228.1 Ų28.117%0.16816%0.157CC..Hα-helixtrans-62.6-42.9176.8-65.4-179.7000111.8I220 L264 V265 Q271 N272 L287 F296I220-L268 HydrophobicContact CD1-CB 4Å; I220-L268 WeakPolarHBondContact CD1-O 3.45Å; I220-L268 HydrophobicContact CG2-CB 4.46Å; L264-L268 HydrophobicContact CD2-CD1 3.61Å; L264-L268 HydrophobicContact CD2-CG 4.08Å; L264-L268 WeakPolarHBondContact O-CG 3.37Å; L264-L268 PolarHBondContact O-N 2.92Å; V265-L268 PolarHBondContact O-N 3.39Å; L268-Q271 PolarHBondContact O-N 3.47Å; L268-N272 PolarHBondContact O-N 2.7Å; L268-N272 PolarHBondContact O-ND2 3.33Å; L268-L287 HydrophobicContact CB-CD2 4.45Å; L268-L287 HydrophobicContact CD1-CD2 4.02Å; L268-L287 HydrophobicContact CD1-CG 4.4Å; L268-L287 HydrophobicContact CD2-CD2 3.85Å; L268-L287 HydrophobicContact CG-CD2 4.33Å; L268-F296 HydrophobicContact CD1-CE1 4.03Å; L268-F296 HydrophobicContact CD2-CE1 4.2Å
269L98.8Very high97.4Very high0 Ų030.1 Ų30.10%016%0.162CC..Hα-helixtrans-62.5-49.7179.4-177.760.9000110.9T92 L183 Y207 I220 V265 S266 S267 N272 T273T92-L269 HydrophobicContact CG2-CD2 3.96Å; L183-L269 HydrophobicContact CB-CD2 4.41Å; L183-L269 HydrophobicContact CD1-CD2 4.47Å; L183-L269 HydrophobicContact CD1-CG 4.46Å; L183-L269 HydrophobicContact CD2-CD1 4.1Å; L183-L269 HydrophobicContact CD2-CG 4.42Å; Y207-L269 VanDerWaalsContact CB-CD1 3.48Å; Y207-L269 HydrophobicContact CD1-CD1 4.18Å; Y207-L269 HydrophobicContact CG-CD1 3.93Å; I220-L269 HydrophobicContact CB-CD1 4.45Å; I220-L269 HydrophobicContact CG2-CB 3.87Å; I220-L269 HydrophobicContact CG2-CD1 4.08Å; V265-L269 VanDerWaalsContact O-CB 3.27Å; V265-L269 WeakPolarHBondContact O-CB 3.41Å; V265-L269 PolarHBondContact O-N 2.96Å; S266-L269 PolarHBondContact O-N 2.96Å; S267-L269 VanDerWaalsContact C-N 3.35Å; L269-N272 PolarHBondContact O-N 3.33Å; L269-T273 WeakPolarHBondContact O-CB 3.34Å; L269-T273 PolarHBondContact O-N 3.21Å; L269-T273 PolarHBondContact O-OG1 3.38Å
270V98.7Very high97.4Very high6 Ų629.5 Ų29.54%0.03616%0.155CC..Hα-helixtrans-67.5-40.5178.71760000110.8T92 M95 L96 S266 N272 T273 L274T92-V270 HydrophobicContact CG2-CG2 3.72Å; M95-V270 HydrophobicContact CB-CB 4.33Å; M95-V270 HydrophobicContact CB-CG1 4Å; M95-V270 HydrophobicContact CB-CG2 3.92Å; M95-V270 HydrophobicContact SD-CB 4.32Å; M95-V270 HydrophobicContact SD-CG2 4.16Å; L96-V270 HydrophobicContact CD2-CG1 4.01Å; L96-V270 HydrophobicContact CG-CG1 4.3Å; L96-V270 HydrophobicContact CG-CG2 4.27Å; S266-V270 WeakPolarHBondContact O-CB 3.41Å; S266-V270 VanDerWaalsContact O-CG2 3.31Å; S266-V270 WeakPolarHBondContact O-CG2 3.29Å; S266-V270 PolarHBondContact O-N 2.9Å; V270-N272 VanDerWaalsContact C-N 3.31Å; V270-N272 PolarHBondContact O-N 2.87Å; V270-T273 WeakPolarHBondContact O-CB 3.41Å; V270-T273 PolarHBondContact O-N 2.97Å; V270-T273 VanDerWaalsContact O-N 3.15Å; V270-L274 HydrophobicContact CG1-CD1 4.16Å; V270-L274 HydrophobicContact CG1-CG 4.24Å; V270-L274 WeakPolarHBondContact O-CG 3.19Å; V270-L274 PolarHBondContact O-N 3.29Å
271Q98.6Very high97.3Very high97 Ų9728.3 Ų28.345%0.45316%0.162SC..Hα-helixtrans-60.2-41.7176.4-170.765.213.500111.7S267 L268 L274 K275S267-Q271 WeakPolarHBondContact O-CB 3.45Å; S267-Q271 PolarHBondContact O-N 3.49Å; L268-Q271 PolarHBondContact O-N 3.47Å; Q271-L274 PolarHBondContact O-N 2.89Å; Q271-K275 WeakPolarHBondContact O-CG 3.4Å; Q271-K275 PolarHBondContact O-N 3.21Å
272N98.5Very high97.2Very high3 Ų332.4 Ų32.42%0.01618%0.18CC..Hα-helixtrans-71.4-34.3175.4-83.5-86000112.8Y207 I220 L268 L269 V270 K275 Y276 S284Y207-N272 HydrophobicContact CE1-CB 4Å; I220-N272 HydrophobicContact CD1-CB 3.93Å; I220-N272 VanDerWaalsContact CD1-ND2 3.28Å; I220-N272 WeakPolarHBondContact CD1-ND2 3.46Å; L268-N272 PolarHBondContact O-N 2.7Å; L268-N272 PolarHBondContact O-ND2 3.33Å; L269-N272 PolarHBondContact O-N 3.33Å; V270-N272 VanDerWaalsContact C-N 3.31Å; V270-N272 PolarHBondContact O-N 2.87Å; N272-K275 PolarHBondContact O-N 3.45Å; N272-K275 VanDerWaalsContact OD1-CE 3.23Å; N272-K275 WeakPolarHBondContact OD1-CE 3.49Å; N272-K275 PolarHBondContact OD1-NZ 2.85Å; N272-Y276 VanDerWaalsContact O-CB 3.24Å; N272-Y276 WeakPolarHBondContact O-CB 3.42Å; N272-Y276 PolarHBondContact O-N 2.86Å; N272-S284 WeakPolarHBondContact OD1-CB 3.36Å; N272-S284 PolarHBondContact OD1-N 2.79Å
273T98.7Very high97.2Very high0 Ų032.6 Ų32.60%018%0.183CC..Hα-helixtrans-58.7-49.1170.8-61.80000110.9V80 L96 L181 L183 L269 V270 Y276 L277V80-T273 HydrophobicContact CG2-CG2 4.41Å; L96-T273 HydrophobicContact CD2-CG2 3.96Å; L181-T273 HydrophobicContact CD2-CG2 3.65Å; L183-T273 WeakPolarHBondContact CD2-OG1 3.48Å; L269-T273 WeakPolarHBondContact O-CB 3.34Å; L269-T273 PolarHBondContact O-N 3.21Å; L269-T273 PolarHBondContact O-OG1 3.38Å; V270-T273 WeakPolarHBondContact O-CB 3.41Å; V270-T273 PolarHBondContact O-N 2.97Å; V270-T273 VanDerWaalsContact O-N 3.15Å; T273-Y276 PolarHBondContact O-N 3.04Å; T273-L277 HydrophobicContact CG2-CD1 3.67Å; T273-L277 HydrophobicContact CG2-CG 4.27Å; T273-L277 WeakPolarHBondContact O-CB 3.35Å; T273-L277 VanDerWaalsContact O-CG 3.28Å; T273-L277 WeakPolarHBondContact O-CG 3.5Å; T273-L277 PolarHBondContact O-N 2.82Å
274L98.5Very high97.2Very high14 Ų1431.6 Ų31.67%0.07317%0.174CC..Hα-helixtrans-63.2-47.6178.1-66.6175.8000111.5I75 C99 V270 Q271 Y276 L277 L278 F280I75-L274 HydrophobicContact CD1-CD2 3.76Å; I75-L274 HydrophobicContact CG1-CD2 4.33Å; C99-L274 HydrophobicContact CB-CD2 4.36Å; V270-L274 HydrophobicContact CG1-CD1 4.16Å; V270-L274 HydrophobicContact CG1-CG 4.24Å; V270-L274 WeakPolarHBondContact O-CG 3.19Å; V270-L274 PolarHBondContact O-N 3.29Å; Q271-L274 PolarHBondContact O-N 2.89Å; L274-Y276 VanDerWaalsContact C-N 3.26Å; L274-Y276 PolarHBondContact O-N 3.49Å; L274-L277 PolarHBondContact O-N 3.4Å; L274-L278 HydrophobicContact CD2-CD1 4.31Å; L274-L278 VanDerWaalsContact O-CB 3.28Å; L274-L278 WeakPolarHBondContact O-CB 3.3Å; L274-L278 PolarHBondContact O-N 3.41Å; L274-F280 HydrophobicContact CB-CE1 3.96Å; L274-F280 HydrophobicContact CB-CZ 4.08Å; L274-F280 WeakPolarHBondContact O-CE1 3.4Å
275K97.8Very high97.2Very high27 Ų2730.1 Ų30.112%0.11717%0.167CC..Hα-helixtrans-54.8-44.1175-74.1-174.4-59.5177.20111.6Q271 N272 K279 F280 E282 V283Q271-K275 WeakPolarHBondContact O-CG 3.4Å; Q271-K275 PolarHBondContact O-N 3.21Å; N272-K275 PolarHBondContact O-N 3.45Å; N272-K275 VanDerWaalsContact OD1-CE 3.23Å; N272-K275 WeakPolarHBondContact OD1-CE 3.49Å; N272-K275 PolarHBondContact OD1-NZ 2.85Å; K275-K279 VanDerWaalsContact O-CA 3.29Å; K275-K279 WeakPolarHBondContact O-CA 3.5Å; K275-K279 PolarHBondContact O-N 3.43Å; K275-F280 WeakPolarHBondContact CA-O 3.45Å; K275-F280 HydrophobicContact CB-CZ 4.48Å; K275-F280 VanDerWaalsContact CB-O 3.28Å; K275-F280 WeakPolarHBondContact CB-O 3.45Å; K275-F280 HydrophobicContact CG-CD2 4.14Å; K275-F280 HydrophobicContact CG-CE1 4.27Å; K275-F280 HydrophobicContact CG-CE2 3.71Å; K275-F280 HydrophobicContact CG-CZ 3.78Å; K275-F280 VanDerWaalsContact CG-O 3.32Å; K275-F280 WeakPolarHBondContact CG-O 3.32Å; K275-F280 PolarHBondContact O-N 2.87Å; K275-E282 WeakPolarHBondContact CD-O 3.44Å; K275-E282 WeakPolarHBondContact CE-O 3.41Å; K275-E282 PolarHBondContact NZ-O 3.44Å; K275-V283 HydrophobicContact CB-CG2 3.99Å
276Y97.7Very high97.2Very high27 Ų2731.9 Ų31.911%0.10617%0.174CC..Hα-helixtrans-68-45.4-179.2179.2-97.5000113L181 V205 Y224 N272 T273 L274 K279 V283L181-Y276 HydrophobicContact CD1-CD1 4.04Å; L181-Y276 HydrophobicContact CD1-CE1 3.92Å; L181-Y276 HydrophobicContact CD2-CD1 4.4Å; V205-Y276 HydrophobicContact CG1-CE1 4.36Å; V205-Y276 HydrophobicContact CG1-CE2 4.33Å; Y224-Y276 HydrophobicContact CE2-CE2 4.45Å; N272-Y276 VanDerWaalsContact O-CB 3.24Å; N272-Y276 WeakPolarHBondContact O-CB 3.42Å; N272-Y276 PolarHBondContact O-N 2.86Å; T273-Y276 PolarHBondContact O-N 3.04Å; L274-Y276 VanDerWaalsContact C-N 3.26Å; L274-Y276 PolarHBondContact O-N 3.49Å; Y276-K279 VanDerWaalsContact O-CD 3.31Å; Y276-K279 WeakPolarHBondContact O-CD 3.43Å; Y276-K279 WeakPolarHBondContact O-CE 3.26Å; Y276-K279 PolarHBondContact O-NZ 3.3Å; Y276-V283 HydrophobicContact CD2-CG1 4.42Å
277L97.8Very high97.2Very high11 Ų1132.6 Ų32.66%0.05818%0.178CC..Hα-helixtrans-76.6-37.5-176.7-67.4178.7000113I75 K78 V80 I101 D180 L181 T273 L274I75-L277 HydrophobicContact CD1-CD1 4.25Å; K78-L277 HydrophobicContact CB-CD1 4.11Å; K78-L277 HydrophobicContact CD-CD2 4.26Å; K78-L277 HydrophobicContact CG-CB 4.31Å; K78-L277 HydrophobicContact CG-CD1 4.21Å; K78-L277 HydrophobicContact CG-CD2 4.4Å; V80-L277 HydrophobicContact CG2-CD1 3.96Å; I101-L277 HydrophobicContact CD1-CD1 4.34Å; D180-L277 HydrophobicContact CB-CD2 3.71Å; L181-L277 HydrophobicContact CB-CD2 4.49Å; T273-L277 HydrophobicContact CG2-CD1 3.67Å; T273-L277 HydrophobicContact CG2-CG 4.27Å; T273-L277 WeakPolarHBondContact O-CB 3.35Å; T273-L277 VanDerWaalsContact O-CG 3.28Å; T273-L277 WeakPolarHBondContact O-CG 3.5Å; T273-L277 PolarHBondContact O-N 2.82Å; L274-L277 PolarHBondContact O-N 3.4Å
278L97.3Very high97.1Very high6 Ų630.1 Ų30.13%0.03116%0.161CC..Hα-helixtrans-100.43.1-176.4-59.7176.7000113.5V69 Y72 L74 I75 L274 F280V69-L278 HydrophobicContact CG1-CB 3.9Å; V69-L278 HydrophobicContact CG1-CD1 4.21Å; Y72-L278 HydrophobicContact CD2-CD1 4.05Å; Y72-L278 HydrophobicContact CE2-CD1 4.1Å; L74-L278 HydrophobicContact CB-CD2 3.94Å; I75-L278 HydrophobicContact CB-CD1 4.41Å; I75-L278 HydrophobicContact CB-CD2 4.05Å; L274-L278 HydrophobicContact CD2-CD1 4.31Å; L274-L278 VanDerWaalsContact O-CB 3.28Å; L274-L278 WeakPolarHBondContact O-CB 3.3Å; L274-L278 PolarHBondContact O-N 3.41Å; L278-F280 HydrophobicContact CB-CD1 3.75Å; L278-F280 HydrophobicContact CB-CE1 3.99Å; L278-F280 HydrophobicContact CD1-CE1 4.34Å; L278-F280 PolarHBondContact O-N 2.7Å
279K95.1Very high97.1Very high125 Ų12529.9 Ų29.954%0.54316%0.158SC..THydrogen-bonded Turntrans53.547.2172-54.4-60.6179.8-170.10113.7K275 Y276K275-K279 VanDerWaalsContact O-CA 3.29Å; K275-K279 WeakPolarHBondContact O-CA 3.5Å; K275-K279 PolarHBondContact O-N 3.43Å; Y276-K279 VanDerWaalsContact O-CD 3.31Å; Y276-K279 WeakPolarHBondContact O-CD 3.43Å; Y276-K279 WeakPolarHBondContact O-CE 3.26Å; Y276-K279 PolarHBondContact O-NZ 3.3Å
280F94.3Very high97Very high31 Ų3130.7 Ų30.714%0.13617%0.166CC..  trans-124.1155.7173.675.1-84.3000111.7V68 V69 L274 K275 L278V68-F280 HydrophobicContact CG1-CD2 4.11Å; V68-F280 HydrophobicContact CG1-CE2 4.47Å; V68-F280 VanDerWaalsContact O-CB 3.32Å; V68-F280 WeakPolarHBondContact O-CB 3.46Å; V69-F280 HydrophobicContact CG1-CD1 4.46Å; V69-F280 HydrophobicContact CG2-CB 4.25Å; V69-F280 HydrophobicContact CG2-CD1 3.62Å; V69-F280 HydrophobicContact CG2-CD2 4.24Å; V69-F280 HydrophobicContact CG2-CE1 3.93Å; V69-F280 HydrophobicContact CG2-CG 3.78Å; V69-F280 HydrophobicContact CG2-CZ 4.4Å; L274-F280 HydrophobicContact CB-CE1 3.96Å; L274-F280 HydrophobicContact CB-CZ 4.08Å; L274-F280 WeakPolarHBondContact O-CE1 3.4Å; K275-F280 WeakPolarHBondContact CA-O 3.45Å; K275-F280 HydrophobicContact CB-CZ 4.48Å; K275-F280 VanDerWaalsContact CB-O 3.28Å; K275-F280 WeakPolarHBondContact CB-O 3.45Å; K275-F280 HydrophobicContact CG-CD2 4.14Å; K275-F280 HydrophobicContact CG-CE1 4.27Å; K275-F280 HydrophobicContact CG-CE2 3.71Å; K275-F280 HydrophobicContact CG-CZ 3.78Å; K275-F280 VanDerWaalsContact CG-O 3.32Å; K275-F280 WeakPolarHBondContact CG-O 3.32Å; K275-F280 PolarHBondContact O-N 2.87Å; L278-F280 HydrophobicContact CB-CD1 3.75Å; L278-F280 HydrophobicContact CB-CE1 3.99Å; L278-F280 HydrophobicContact CD1-CE1 4.34Å; L278-F280 PolarHBondContact O-N 2.7Å
281G93.1Very high96.8Very high72 Ų7231.8 Ų31.874%0.74218%0.176SC*.SBendtrans59.9-161-177.300000112.9
282E93.9Very high96.4Very high91 Ų9131.2 Ų31.243%0.42519%0.187SC..  trans-108.8122179-168.1-165.5165.500110K275 R298K275-E282 WeakPolarHBondContact CD-O 3.44Å; K275-E282 WeakPolarHBondContact CE-O 3.41Å; K275-E282 PolarHBondContact NZ-O 3.44Å; E282-R298 IonicContact OE1-CZ 3.65Å; E282-R298 IonicContact OE1-NH1 3.5Å; E282-R298 IonicContact OE1-NH2 2.72Å; E282-R298 PolarHBondContact OE1-NH2 3.24Å; E282-R298 IonicContact OE2-CZ 2.85Å; E282-R298 IonicContact OE2-NH1 2.74Å; E282-R298 PolarHBondContact OE2-NH1 2.79Å; E282-R298 IonicContact OE2-NH2 3.53Å; E282-R298 PolarHBondContact OE2-NH2 2.91Å
283V96.4Very high96.3Very high23 Ų2339.9 Ų39.914%0.13923%0.225CC..  trans-76.4133.6178.5178.70000109.6Y207 L222 K275 Y276 W334Y207-V283 WeakPolarHBondContact OH-CG1 3.46Å; L222-V283 HydrophobicContact CD2-CG1 4.18Å; K275-V283 HydrophobicContact CB-CG2 3.99Å; Y276-V283 HydrophobicContact CD2-CG1 4.42Å; V283-W334 HydrophobicContact CB-CH2 3.94Å; V283-W334 HydrophobicContact CG1-CH2 3.78Å; V283-W334 HydrophobicContact CG1-CZ2 4.43Å
284S96.9Very high96.2Very high5 Ų545.6 Ų45.64%0.03526%0.256CS..  trans-93.7124.9179.8-54.50000110.3N272 R298N272-S284 WeakPolarHBondContact OD1-CB 3.36Å; N272-S284 PolarHBondContact OD1-N 2.79Å; S284-R298 PolarHBondContact OG-NE 3.2Å
285S96.2Very high96.1Very high10 Ų1047.4 Ų47.47%0.0727%0.269CS..SBendtrans-74-35.7174.451.90000112.7Q221 L222 V299Q221-S285 CarbonylContact C-O 3.57Å; Q221-S285 WeakPolarHBondContact CA-O 3.4Å; L222-S285 PolarHBondContact N-O 2.94Å; S285-V299 PolarHBondContact OG-O 3.42Å
286Y98.1Very high96Very high37 Ų3751.5 Ų51.515%0.14529%0.287CS..EExtended strand (participates in β ladder)trans-141.2134.6167.8-177.8-78.5000108.7H219 Q221 Y297 R298 V299 L301H219-Y286 HydrophobicContact CB-CE1 4.49Å; H219-Y286 HydrophobicContact CB-CE2 4.23Å; H219-Y286 AromaticContact CD2-CE2 3.62Å; Q221-Y286 HydrophobicContact CB-CD2 4.04Å; Q221-Y286 HydrophobicContact CG-CD2 4.12Å; Y286-Y297 HydrophobicContact CD1-CE2 4.4Å; Y286-Y297 HydrophobicContact CE1-CD2 4.05Å; Y286-Y297 AromaticContact CE1-CE2 3.44Å; Y286-Y297 HydrophobicContact CE1-CE2 3.44Å; Y286-Y297 VanDerWaalsContact CE1-CE2 3.44Å; Y286-Y297 PolarHBondContact OH-OH 3.46Å; Y286-R298 WeakPolarHBondContact O-CA 3.41Å; Y286-V299 WeakPolarHBondContact CB-O 3.42Å; Y286-V299 HydrophobicContact CD1-CB 4.14Å; Y286-V299 HydrophobicContact CD1-CG2 4.08Å; Y286-V299 HydrophobicContact CG-CB 4.48Å; Y286-V299 PolarHBondContact O-N 2.94Å; Y286-L301 HydrophobicContact CD2-CD1 4.25Å
287L98Very high95.9Very high16 Ų1655 Ų558%0.08430%0.301CS..EExtended strand (participates in β ladder)trans-139.1117.2172.2176.365.9000108.9H219 I220 L268 F296 R298H219-L287 CarbonylContact C-O 3.51Å; H219-L287 VanDerWaalsContact CA-O 3.26Å; H219-L287 WeakPolarHBondContact CA-O 3.41Å; I220-L287 HydrophobicContact CD1-CB 4.31Å; I220-L287 HydrophobicContact CD1-CD2 4.4Å; I220-L287 HydrophobicContact CG1-CB 3.88Å; I220-L287 PolarHBondContact N-O 3.12Å; I220-L287 PolarHBondContact O-N 2.77Å; L268-L287 HydrophobicContact CB-CD2 4.45Å; L268-L287 HydrophobicContact CD1-CD2 4.02Å; L268-L287 HydrophobicContact CD1-CG 4.4Å; L268-L287 HydrophobicContact CD2-CD2 3.85Å; L268-L287 HydrophobicContact CG-CD2 4.33Å; L287-F296 HydrophobicContact CD1-CD1 4.3Å; L287-R298 HydrophobicContact CD1-CG 3.61Å
288G97.2Very high95.9Very high0 Ų060.1 Ų60.10%032%0.32CS..EExtended strand (participates in β ladder)trans-107.9154.4174.600000112C218 F296 Y297C218-G288 CarbonylContact O-C 3.49Å; C218-G288 WeakPolarHBondContact O-CA 3.19Å; G288-F296 WeakPolarHBondContact O-CA 3.27Å; G288-Y297 PolarHBondContact N-O 3.09Å; G288-Y297 PolarHBondContact O-N 3.05Å
289Y97.3Very high95.7Very high27 Ų2762.5 Ų62.511%0.10633%0.334CS..EExtended strand (participates in β ladder)trans-133.5126.9175173.1-112.5000110.3S217 C218 L264 A291 D294 S295 F296S217-Y289 CarbonylContact C-O 3.6Å; S217-Y289 VanDerWaalsContact CA-O 3.25Å; S217-Y289 WeakPolarHBondContact CA-O 3.23Å; C218-Y289 PolarHBondContact N-O 2.97Å; C218-Y289 PolarHBondContact O-N 2.91Å; L264-Y289 HydrophobicContact CD1-CD1 3.78Å; L264-Y289 HydrophobicContact CD1-CE1 3.45Å; L264-Y289 VanDerWaalsContact CD1-CE1 3.45Å; L264-Y289 HydrophobicContact CD1-CE2 4.28Å; L264-Y289 HydrophobicContact CD1-CG 4.3Å; L264-Y289 HydrophobicContact CD2-CD1 3.57Å; L264-Y289 HydrophobicContact CD2-CE1 4.15Å; L264-Y289 HydrophobicContact CD2-CG 3.81Å; L264-Y289 HydrophobicContact CG-CD1 4.33Å; L264-Y289 HydrophobicContact CG-CE1 4.43Å; Y289-A291 HydrophobicContact CD1-CB 4.29Å; Y289-A291 HydrophobicContact CE1-CB 3.51Å; Y289-D294 PolarHBondContact OH-OD1 3.48Å; Y289-S295 CarbonylContact C-O 3.6Å; Y289-S295 WeakPolarHBondContact CA-O 3.16Å; Y289-F296 AromaticContact CD2-CD1 3.91Å; Y289-F296 HydrophobicContact CD2-CD1 3.91Å; Y289-F296 AromaticContact CD2-CD2 3.82Å; Y289-F296 HydrophobicContact CD2-CD2 3.82Å; Y289-F296 AromaticContact CD2-CE1 3.58Å; Y289-F296 HydrophobicContact CD2-CE1 3.58Å; Y289-F296 AromaticContact CD2-CE2 3.46Å; Y289-F296 HydrophobicContact CD2-CE2 3.46Å; Y289-F296 VanDerWaalsContact CD2-CE2 3.46Å; Y289-F296 HydrophobicContact CD2-CG 4.03Å; Y289-F296 AromaticContact CD2-CZ 3.34Å; Y289-F296 HydrophobicContact CD2-CZ 3.34Å; Y289-F296 HydrophobicContact CE2-CD2 4.16Å; Y289-F296 HydrophobicContact CE2-CE1 4.34Å; Y289-F296 AromaticContact CE2-CE2 3.53Å; Y289-F296 HydrophobicContact CE2-CE2 3.53Å; Y289-F296 AromaticContact CE2-CZ 3.65Å; Y289-F296 HydrophobicContact CE2-CZ 3.65Å; Y289-F296 HydrophobicContact CG-CD1 4.4Å; Y289-F296 AromaticContact CG-CE1 3.97Å; Y289-F296 HydrophobicContact CG-CE1 3.97Å; Y289-F296 HydrophobicContact CG-CZ 4.06Å
290G96.7Very high95.5Very high16 Ų1661.7 Ų61.717%0.16533%0.332CS..EExtended strand (participates in β ladder)trans-106.7104.9171.600000110.4A292 K293 D294 S295G290-A292 VanDerWaalsContact C-N 3.29Å; G290-A292 PolarHBondContact O-N 3.46Å; G290-K293 PolarHBondContact O-N 3.24Å; G290-D294 PolarHBondContact O-N 2.87Å; G290-D294 VanDerWaalsContact O-N 3.07Å; G290-S295 PolarHBondContact N-O 3.32Å; G290-S295 PolarHBondContact O-N 2.89Å; G290-S295 VanDerWaalsContact O-N 3.07Å
291A94.1Very high95.3Very high30 Ų3062.8 Ų62.825%0.24834%0.339CS..THydrogen-bonded Turntrans-68.1-24.6-173.800000113.9V216 Y289 K293V216-A291 HydrophobicContact CB-CB 4.42Å; V216-A291 WeakPolarHBondContact O-CB 3.33Å; V216-A291 PolarHBondContact O-N 3.49Å; Y289-A291 HydrophobicContact CD1-CB 4.29Å; Y289-A291 HydrophobicContact CE1-CB 3.51Å; A291-K293 PolarHBondContact O-N 3.42Å
292A92Very high95.2Very high84 Ų8465.9 Ų65.969%0.69433%0.332SS*.THydrogen-bonded Turntrans-70.3-21.1179.600000113.6G290G290-A292 VanDerWaalsContact C-N 3.29Å; G290-A292 PolarHBondContact O-N 3.46Å
293K95Very high95.3Very high186 Ų18662.4 Ų62.481%0.80932%0.319SS*.THydrogen-bonded Turntrans-131.612.7-177.2-64.6-175.2178.4179.60112.8G290 A291 S295G290-K293 PolarHBondContact O-N 3.24Å; A291-K293 PolarHBondContact O-N 3.42Å; K293-S295 PolarHBondContact O-N 3Å; K293-S295 VanDerWaalsContact O-N 3.08Å
294D96.2Very high95.3Very high120 Ų12064.1 Ų64.164%0.64233%0.328SS*.THydrogen-bonded Turntrans4736.4-174-58.1-28.2000113.8Y289 G290Y289-D294 PolarHBondContact OH-OD1 3.48Å; G290-D294 PolarHBondContact O-N 2.87Å; G290-D294 VanDerWaalsContact O-N 3.07Å
295S96.6Very high95.3Very high51 Ų5167.7 Ų67.736%0.35735%0.35SS..EExtended strand (participates in β ladder)trans-96.7116.7-170.763.70000111.3Y289 G290 K293Y289-S295 CarbonylContact C-O 3.6Å; Y289-S295 WeakPolarHBondContact CA-O 3.16Å; G290-S295 PolarHBondContact N-O 3.32Å; G290-S295 PolarHBondContact O-N 2.89Å; G290-S295 VanDerWaalsContact O-N 3.07Å; K293-S295 PolarHBondContact O-N 3Å; K293-S295 VanDerWaalsContact O-N 3.08Å
296F97Very high95.3Very high113 Ų11373.8 Ų73.850%0.49638%0.382SS..EExtended strand (participates in β ladder)trans-94.8134.5166.9-69.5-92.6000110.1L264 L268 L287 G288 Y289L264-F296 HydrophobicContact CD1-CZ 4.35Å; L264-F296 HydrophobicContact CD2-CE1 4.32Å; L268-F296 HydrophobicContact CD1-CE1 4.03Å; L268-F296 HydrophobicContact CD2-CE1 4.2Å; L287-F296 HydrophobicContact CD1-CD1 4.3Å; G288-F296 WeakPolarHBondContact O-CA 3.27Å; Y289-F296 AromaticContact CD2-CD1 3.91Å; Y289-F296 HydrophobicContact CD2-CD1 3.91Å; Y289-F296 AromaticContact CD2-CD2 3.82Å; Y289-F296 HydrophobicContact CD2-CD2 3.82Å; Y289-F296 AromaticContact CD2-CE1 3.58Å; Y289-F296 HydrophobicContact CD2-CE1 3.58Å; Y289-F296 AromaticContact CD2-CE2 3.46Å; Y289-F296 HydrophobicContact CD2-CE2 3.46Å; Y289-F296 VanDerWaalsContact CD2-CE2 3.46Å; Y289-F296 HydrophobicContact CD2-CG 4.03Å; Y289-F296 AromaticContact CD2-CZ 3.34Å; Y289-F296 HydrophobicContact CD2-CZ 3.34Å; Y289-F296 HydrophobicContact CE2-CD2 4.16Å; Y289-F296 HydrophobicContact CE2-CE1 4.34Å; Y289-F296 AromaticContact CE2-CE2 3.53Å; Y289-F296 HydrophobicContact CE2-CE2 3.53Å; Y289-F296 AromaticContact CE2-CZ 3.65Å; Y289-F296 HydrophobicContact CE2-CZ 3.65Å; Y289-F296 HydrophobicContact CG-CD1 4.4Å; Y289-F296 AromaticContact CG-CE1 3.97Å; Y289-F296 HydrophobicContact CG-CE1 3.97Å; Y289-F296 HydrophobicContact CG-CZ 4.06Å
297Y95.6Very high95.2Very high100 Ų10072.1 Ų72.139%0.39238%0.376SS..EExtended strand (participates in β ladder)trans-135.6137.317659.9-81.8000110.6Y286 G288 V299Y286-Y297 HydrophobicContact CD1-CE2 4.4Å; Y286-Y297 HydrophobicContact CE1-CD2 4.05Å; Y286-Y297 AromaticContact CE1-CE2 3.44Å; Y286-Y297 HydrophobicContact CE1-CE2 3.44Å; Y286-Y297 VanDerWaalsContact CE1-CE2 3.44Å; Y286-Y297 PolarHBondContact OH-OH 3.46Å; G288-Y297 PolarHBondContact N-O 3.09Å; G288-Y297 PolarHBondContact O-N 3.05Å; Y297-V299 HydrophobicContact CD2-CG2 4.03Å
298R96.1Very high95.1Very high120 Ų12075.2 Ų75.245%0.45340%0.404SS..EExtended strand (participates in β ladder)trans-111.2138.4176.8-69.3178.462.9-170.5-6.4108.5E282 S284 Y286 L287E282-R298 IonicContact OE1-CZ 3.65Å; E282-R298 IonicContact OE1-NH1 3.5Å; E282-R298 IonicContact OE1-NH2 2.72Å; E282-R298 PolarHBondContact OE1-NH2 3.24Å; E282-R298 IonicContact OE2-CZ 2.85Å; E282-R298 IonicContact OE2-NH1 2.74Å; E282-R298 PolarHBondContact OE2-NH1 2.79Å; E282-R298 IonicContact OE2-NH2 3.53Å; E282-R298 PolarHBondContact OE2-NH2 2.91Å; S284-R298 PolarHBondContact OG-NE 3.2Å; Y286-R298 WeakPolarHBondContact O-CA 3.41Å; L287-R298 HydrophobicContact CD1-CG 3.61Å
299V93.2Very high95.1Very high56 Ų5675.2 Ų75.234%0.33940%0.404SS..  trans-132.9135.5179.3-170.50000108.9S285 Y286 Y297 L301S285-V299 PolarHBondContact OG-O 3.42Å; Y286-V299 WeakPolarHBondContact CB-O 3.42Å; Y286-V299 HydrophobicContact CD1-CB 4.14Å; Y286-V299 HydrophobicContact CD1-CG2 4.08Å; Y286-V299 HydrophobicContact CG-CB 4.48Å; Y286-V299 PolarHBondContact O-N 2.94Å; Y297-V299 HydrophobicContact CD2-CG2 4.03Å; V299-L301 HydrophobicContact CB-CG 4.4Å; V299-L301 HydrophobicContact CG1-CD2 3.53Å; V299-L301 HydrophobicContact CG1-CG 3.83Å
300E90.7Very high95.1Very high108 Ų10877.5 Ų77.551%0.50542%0.424SS..  trans-97107.9168.4-68.2-169.1177.100109R339E300-R339 IonicContact OE1-CZ 3.68Å; E300-R339 IonicContact OE1-NH1 2.79Å; E300-R339 IonicContact OE1-NH2 2.72Å; E300-R339 PolarHBondContact OE1-NH2 3.12Å; E300-R339 IonicContact OE2-NH2 3.56Å
301L90.4Very high95.2Very high53 Ų5380.6 Ų80.628%0.27743%0.431SS..  trans-102.1144.5178.7-58.2169.8000109.4P229 L234 Y286 V299P229-L301 WeakPolarHBondContact CD-O 3.12Å; P229-L301 HydrophobicContact CG-CB 3.38Å; L234-L301 HydrophobicContact CD1-CB 4.43Å; L234-L301 HydrophobicContact CD1-CD1 3.81Å; L234-L301 HydrophobicContact CD1-CD2 4.33Å; L234-L301 HydrophobicContact CD1-CG 4.42Å; Y286-L301 HydrophobicContact CD2-CD1 4.25Å; V299-L301 HydrophobicContact CB-CG 4.4Å; V299-L301 HydrophobicContact CG1-CD2 3.53Å; V299-L301 HydrophobicContact CG1-CG 3.83Å
302K92.4Very high95.4Very high138 Ų13879.1 Ų79.160%0.642%0.419SS*.  trans-105.7151.9174.8-64-168.4-177.4-168.70110.6P229 D331P229-K302 WeakPolarHBondContact CG-O 3.37Å; K302-D331 PolarHBondContact NZ-O 3.28Å
303A95.7Very high95.6Very high18 Ų1877.5 Ų77.515%0.14940%0.398CS..  trans-61.3142175.900000111.3P305 Q316A303-P305 VanDerWaalsContact O-CD 3.31Å; A303-P305 WeakPolarHBondContact O-CD 3.19Å; A303-Q316 HydrophobicContact CB-CG 3.96Å
304N96.4Very high95.8Very high59 Ų5972.8 Ų72.832%0.31638%0.379SS..  trans-72117.3172.7178.63.8000108.8C233 D306 C307 Q316C233-N304 HydrophobicContact CB-CB 3.79Å; C233-N304 PolarHBondContact SG-N 3.21Å; C233-N304 VanDerWaalsContact SG-N 3.37Å; N304-D306 PolarHBondContact O-N 2.88Å; N304-D306 VanDerWaalsContact O-N 3.16Å; N304-D306 PolarHBondContact OD1-N 3.45Å; N304-C307 HydrophobicContact CB-CB 4.4Å; N304-C307 WeakPolarHBondContact O-CB 3.4Å; N304-C307 PolarHBondContact O-N 3.47Å; N304-Q316 PolarHBondContact O-NE2 2.96Å; N304-Q316 PolarHBondContact O-OE1 3.2Å
305P95.6Very high95.9Very high79 Ų7969.1 Ų69.151%0.51336%0.356SS..THydrogen-bonded Turntrans-57.7-27178-24.235.6000114A303 N313A303-P305 VanDerWaalsContact O-CD 3.31Å; A303-P305 WeakPolarHBondContact O-CD 3.19Å; P305-N313 PolarHBondContact O-OD1 3.26Å
306D96.1Very high95.9Very high138 Ų13867 Ų6774%0.73834%0.341SS*.THydrogen-bonded Turntrans-109.436.1-178.1-56-48.7000111.1N304N304-D306 PolarHBondContact O-N 2.88Å; N304-D306 VanDerWaalsContact O-N 3.16Å; N304-D306 PolarHBondContact OD1-N 3.45Å
307C97Very high96Very high3 Ų364.8 Ų64.82%0.0234%0.337CS..  trans-59.6140.3177.8-176.50000110.7N304 D309 C312 N313N304-C307 HydrophobicContact CB-CB 4.4Å; N304-C307 WeakPolarHBondContact O-CB 3.4Å; N304-C307 PolarHBondContact O-N 3.47Å; C307-D309 PolarHBondContact O-N 3.33Å; C307-C312 HydrophobicContact CB-CB 4.16Å; C307-N313 PolarHBondContact N-OD1 2.83Å; C307-N313 PolarHBondContact O-ND2 3.37Å; C307-N313 PolarHBondContact O-OD1 3.3Å
308A95.8Very high96.1Very high81 Ų8163.8 Ų63.867%0.66934%0.336SS*.SBendtrans-66.8-24.7179.300000113E232 S310E232-A308 HydrophobicContact CG-CB 4.18Å; E232-A308 WeakPolarHBondContact OE1-CB 3.2Å; A308-S310 PolarHBondContact O-N 2.89Å
309D96.8Very high96.1Very high0 Ų059.2 Ų59.20%032%0.318CS..  trans-77.4109.2173.5-167.3-6.8000111.2K197 N200 E232 C307 W311 C312 N313K197-D309 IonicContact NZ-OD1 2.66Å; K197-D309 PolarHBondContact NZ-OD1 3.28Å; K197-D309 IonicContact NZ-OD2 2.69Å; N200-D309 WeakPolarHBondContact CB-OD2 3.34Å; N200-D309 PolarHBondContact ND2-OD2 3.29Å; E232-D309 WeakPolarHBondContact OE2-CB 3.31Å; C307-D309 PolarHBondContact O-N 3.33Å; D309-W311 PolarHBondContact O-N 2.81Å; D309-W311 VanDerWaalsContact O-N 3.17Å; D309-W311 PolarHBondContact OD1-N 2.93Å; D309-W311 VanDerWaalsContact OD1-N 3.09Å; D309-C312 HydrophobicContact CB-CB 3.97Å; D309-C312 WeakPolarHBondContact O-CA 3.12Å; D309-C312 VanDerWaalsContact O-CB 3.25Å; D309-C312 WeakPolarHBondContact O-CB 3.36Å; D309-C312 PolarHBondContact O-N 3.17Å; D309-N313 PolarHBondContact O-N 3.02Å
310S97.6Very high96.2Very high75 Ų7560.7 Ų60.752%0.52432%0.318SS..Hα-helixtrans-55.3-33.6176.959.50000113.5A308 N313 Q314A308-S310 PolarHBondContact O-N 2.89Å; S310-N313 PolarHBondContact O-N 3.36Å; S310-Q314 PolarHBondContact O-N 3.15Å
311W98.1Very high96.6Very high80 Ų8059.1 Ų59.130%0.30331%0.313SS..Hα-helixtrans-67.7-37.7175.9-69.6111.8000111.3N200 L201 D309 N313 Q314 R315N200-W311 HydrophobicContact CB-CB 3.82Å; L201-W311 HydrophobicContact CB-CG 4.41Å; L201-W311 HydrophobicContact CD1-CD2 3.87Å; L201-W311 HydrophobicContact CD1-CE3 4.29Å; L201-W311 HydrophobicContact CD1-CH2 3.81Å; L201-W311 HydrophobicContact CD1-CZ2 3.32Å; L201-W311 HydrophobicContact CD1-CZ3 4.26Å; D309-W311 PolarHBondContact O-N 2.81Å; D309-W311 VanDerWaalsContact O-N 3.17Å; D309-W311 PolarHBondContact OD1-N 2.93Å; D309-W311 VanDerWaalsContact OD1-N 3.09Å; W311-N313 VanDerWaalsContact C-N 3.32Å; W311-N313 PolarHBondContact O-N 2.73Å; W311-Q314 PolarHBondContact O-N 3.11Å; W311-R315 VanDerWaalsContact O-CG 3.3Å; W311-R315 WeakPolarHBondContact O-CG 3.4Å; W311-R315 PolarHBondContact O-N 3.29Å
312C98.4Very high96.9Very high0 Ų059.5 Ų59.50%031%0.313CS..Hα-helixtrans-58.7-46.2174.2-172.80000110.8C230 C307 D309 Q314 R315 Q316C230-C312 VanDerWaalsContact SG-SG 3.61Å; C307-C312 HydrophobicContact CB-CB 4.16Å; D309-C312 HydrophobicContact CB-CB 3.97Å; D309-C312 WeakPolarHBondContact O-CA 3.12Å; D309-C312 VanDerWaalsContact O-CB 3.25Å; D309-C312 WeakPolarHBondContact O-CB 3.36Å; D309-C312 PolarHBondContact O-N 3.17Å; C312-Q314 VanDerWaalsContact C-N 3.31Å; C312-Q314 PolarHBondContact O-N 3.09Å; C312-R315 PolarHBondContact O-N 2.71Å; C312-Q316 VanDerWaalsContact O-CG 3.31Å; C312-Q316 WeakPolarHBondContact O-CG 3.24Å; C312-Q316 PolarHBondContact O-N 3.35Å; C312-Q316 PolarHBondContact SG-NE2 3.02Å; C312-Q316 VanDerWaalsContact SG-NE2 3.42Å
313N97.9Very high97Very high49 Ų4953 Ų5326%0.26229%0.285SS..Hα-helixtrans-62.9-38.5178.6-61.5-24.2000112.1P305 C307 D309 S310 W311 Q316 T317P305-N313 PolarHBondContact O-OD1 3.26Å; C307-N313 PolarHBondContact N-OD1 2.83Å; C307-N313 PolarHBondContact O-ND2 3.37Å; C307-N313 PolarHBondContact O-OD1 3.3Å; D309-N313 PolarHBondContact O-N 3.02Å; S310-N313 PolarHBondContact O-N 3.36Å; W311-N313 VanDerWaalsContact C-N 3.32Å; W311-N313 PolarHBondContact O-N 2.73Å; N313-Q316 PolarHBondContact O-N 3.02Å; N313-Q316 PolarHBondContact OD1-NE2 3.46Å; N313-T317 PolarHBondContact O-N 2.87Å; N313-T317 PolarHBondContact O-OG1 3.13Å
314Q98.1Very high97.1Very high87 Ų8757.2 Ų57.241%0.40730%0.302SS..Hα-helixtrans-62.4-48.2172.7-176.4178.6-25.200111.4S310 W311 C312 Q316 T317 E318S310-Q314 PolarHBondContact O-N 3.15Å; W311-Q314 PolarHBondContact O-N 3.11Å; C312-Q314 VanDerWaalsContact C-N 3.31Å; C312-Q314 PolarHBondContact O-N 3.09Å; Q314-Q316 VanDerWaalsContact C-N 3.31Å; Q314-Q316 PolarHBondContact O-N 3.42Å; Q314-T317 WeakPolarHBondContact O-CB 3.35Å; Q314-T317 PolarHBondContact O-N 3.49Å; Q314-T317 VanDerWaalsContact O-N 3.07Å; Q314-E318 PolarHBondContact NE2-OE1 2.97Å; Q314-E318 VanDerWaalsContact NE2-OE1 3.07Å; Q314-E318 WeakPolarHBondContact O-CG 3.45Å; Q314-E318 PolarHBondContact O-N 2.94Å
315R98.1Very high97.1Very high44 Ų4462.5 Ų62.517%0.16632%0.322CS..Hα-helixtrans-61.4-37.7177.7-62.4-44.7179.4178-1.4112.6N200 L201 P225 W311 C312 T317 E318 W319N200-R315 PolarHBondContact O-NE 3.2Å; L201-R315 PolarHBondContact O-NH2 2.87Å; P225-R315 HydrophobicContact CB-CB 4.14Å; P225-R315 HydrophobicContact CB-CG 3.82Å; W311-R315 VanDerWaalsContact O-CG 3.3Å; W311-R315 WeakPolarHBondContact O-CG 3.4Å; W311-R315 PolarHBondContact O-N 3.29Å; C312-R315 PolarHBondContact O-N 2.71Å; R315-T317 VanDerWaalsContact C-N 3.32Å; R315-T317 PolarHBondContact O-N 3.44Å; R315-E318 WeakPolarHBondContact CD-OE2 3.33Å; R315-E318 IonicContact CZ-OE2 2.74Å; R315-E318 IonicContact NE-OE2 3.1Å; R315-E318 IonicContact NH1-OE1 3.83Å; R315-E318 PolarHBondContact NH1-OE1 3.33Å; R315-E318 IonicContact NH1-OE2 3.28Å; R315-E318 PolarHBondContact NH1-OE2 3.29Å; R315-E318 PolarHBondContact O-N 3.47Å; R315-W319 WeakPolarHBondContact O-CB 3.43Å; R315-W319 PolarHBondContact O-N 3.02Å
316Q97.8Very high97Very high5 Ų562.5 Ų62.52%0.02332%0.317CS..Hα-helixtrans-62.7-39.7173.8-70.8178.454.700111.8A303 N304 C312 N313 Q314 W319 R320A303-Q316 HydrophobicContact CB-CG 3.96Å; N304-Q316 PolarHBondContact O-NE2 2.96Å; N304-Q316 PolarHBondContact O-OE1 3.2Å; C312-Q316 VanDerWaalsContact O-CG 3.31Å; C312-Q316 WeakPolarHBondContact O-CG 3.24Å; C312-Q316 PolarHBondContact O-N 3.35Å; C312-Q316 PolarHBondContact SG-NE2 3.02Å; C312-Q316 VanDerWaalsContact SG-NE2 3.42Å; N313-Q316 PolarHBondContact O-N 3.02Å; N313-Q316 PolarHBondContact OD1-NE2 3.46Å; Q314-Q316 VanDerWaalsContact C-N 3.31Å; Q314-Q316 PolarHBondContact O-N 3.42Å; Q316-W319 PolarHBondContact O-N 3.41Å; Q316-R320 WeakPolarHBondContact O-CG 3.3Å; Q316-R320 PolarHBondContact O-N 3.48Å
317T97.5Very high97Very high68 Ų6863.2 Ų63.242%0.41732%0.321SS..Hα-helixtrans-65.7-44.3176.4-560000111.2N313 Q314 R315 W319 R320 N321N313-T317 PolarHBondContact O-N 2.87Å; N313-T317 PolarHBondContact O-OG1 3.13Å; Q314-T317 WeakPolarHBondContact O-CB 3.35Å; Q314-T317 PolarHBondContact O-N 3.49Å; Q314-T317 VanDerWaalsContact O-N 3.07Å; R315-T317 VanDerWaalsContact C-N 3.32Å; R315-T317 PolarHBondContact O-N 3.44Å; T317-W319 VanDerWaalsContact C-N 3.31Å; T317-W319 PolarHBondContact O-N 3.22Å; T317-R320 PolarHBondContact O-N 3.48Å; T317-N321 VanDerWaalsContact O-CG 3.23Å; T317-N321 PolarHBondContact O-N 3.49Å; T317-N321 PolarHBondContact O-ND2 2.88Å
318E97.6Very high96.9Very high79 Ų7964.8 Ų64.837%0.36933%0.329SS..Hα-helixtrans-57.3-43.5173.7-69.2168.2-174.100111.6Q314 R315 N321 H322Q314-E318 PolarHBondContact NE2-OE1 2.97Å; Q314-E318 VanDerWaalsContact NE2-OE1 3.07Å; Q314-E318 WeakPolarHBondContact O-CG 3.45Å; Q314-E318 PolarHBondContact O-N 2.94Å; R315-E318 WeakPolarHBondContact CD-OE2 3.33Å; R315-E318 IonicContact CZ-OE2 2.74Å; R315-E318 IonicContact NE-OE2 3.1Å; R315-E318 IonicContact NH1-OE1 3.83Å; R315-E318 PolarHBondContact NH1-OE1 3.33Å; R315-E318 IonicContact NH1-OE2 3.28Å; R315-E318 PolarHBondContact NH1-OE2 3.29Å; R315-E318 PolarHBondContact O-N 3.47Å; E318-N321 PolarHBondContact O-N 3.03Å; E318-H322 PolarHBondContact O-N 3.24Å
319W96.9Very high96.8Very high23 Ų2364.6 Ų64.69%0.08732%0.321CS..Hα-helixtrans-65.7-45.2177.2175.5-127000113.3G226 R227 R315 Q316 T317 N321 H322 L323 I336G226-W319 VanDerWaalsContact O-CD1 3.27Å; R227-W319 HydrophobicContact CG-CD2 3.72Å; R227-W319 HydrophobicContact CG-CE3 4Å; R227-W319 HydrophobicContact CG-CG 3.95Å; R227-W319 HydrophobicContact CG-CZ2 4.41Å; R227-W319 HydrophobicContact CG-CZ3 4.46Å; R227-W319 VanDerWaalsContact NH2-CZ3 3.29Å; R315-W319 WeakPolarHBondContact O-CB 3.43Å; R315-W319 PolarHBondContact O-N 3.02Å; Q316-W319 PolarHBondContact O-N 3.41Å; T317-W319 VanDerWaalsContact C-N 3.31Å; T317-W319 PolarHBondContact O-N 3.22Å; W319-N321 VanDerWaalsContact C-N 3.29Å; W319-N321 PolarHBondContact O-N 3.35Å; W319-H322 HydrophobicContact CE3-CB 4.06Å; W319-H322 AromaticContact CE3-CD2 3.76Å; W319-H322 HydrophobicContact CZ3-CB 4.44Å; W319-H322 AromaticContact CZ3-CD2 3.26Å; W319-H322 WeakPolarHBondContact CZ3-CD2 3.47Å; W319-H322 WeakPolarHBondContact O-CA 3.45Å; W319-H322 WeakPolarHBondContact O-CB 3.34Å; W319-H322 PolarHBondContact O-N 3.28Å; W319-L323 HydrophobicContact CD2-CD1 4.34Å; W319-L323 HydrophobicContact CD2-CG 4.13Å; W319-L323 HydrophobicContact CE3-CG 4.47Å; W319-L323 HydrophobicContact CH2-CD2 3.69Å; W319-L323 HydrophobicContact CH2-CG 4.15Å; W319-L323 HydrophobicContact CZ2-CD1 3.96Å; W319-L323 HydrophobicContact CZ2-CD2 3.51Å; W319-L323 HydrophobicContact CZ2-CG 3.78Å; W319-L323 HydrophobicContact CZ3-CD2 4.36Å; W319-L323 HydrophobicContact CZ3-CG 4.48Å; W319-L323 PolarHBondContact O-N 3.2Å; W319-I336 HydrophobicContact CH2-CG2 4.1Å; W319-I336 HydrophobicContact CZ2-CG2 4.24Å
320R96.2Very high96.6Very high87 Ų8769.1 Ų69.133%0.32835%0.345SS..Hα-helixtrans-58.9-42.4175.6-71.2-179.9-162.9109.24.6111.5Q316 T317 H322 L323 Q324 L330Q316-R320 WeakPolarHBondContact O-CG 3.3Å; Q316-R320 PolarHBondContact O-N 3.48Å; T317-R320 PolarHBondContact O-N 3.48Å; R320-H322 VanDerWaalsContact C-N 3.3Å; R320-H322 PolarHBondContact O-N 3.14Å; R320-L323 PolarHBondContact O-N 2.98Å; R320-Q324 WeakPolarHBondContact O-CG 3.48Å; R320-Q324 PolarHBondContact O-N 3.26Å; R320-L330 HydrophobicContact CB-CD2 4Å; R320-L330 HydrophobicContact CG-CD2 4.25Å
321N97.2Very high96.2Very high75 Ų7570.8 Ų70.840%0.40135%0.347SS..Hα-helixtrans-63.4-36.6175.6-69-20.5000111.8T317 E318 W319 K325T317-N321 VanDerWaalsContact O-CG 3.23Å; T317-N321 PolarHBondContact O-N 3.49Å; T317-N321 PolarHBondContact O-ND2 2.88Å; E318-N321 PolarHBondContact O-N 3.03Å; W319-N321 VanDerWaalsContact C-N 3.29Å; W319-N321 PolarHBondContact O-N 3.35Å; N321-K325 VanDerWaalsContact O-CG 3.32Å; N321-K325 WeakPolarHBondContact O-CG 3.49Å; N321-K325 PolarHBondContact O-N 3.12Å
322H96.6Very high96Very high62 Ų6267.7 Ų67.729%0.28734%0.338SS..Hα-helixtrans-64.7-46.6174.6-176.581.4000112.1E318 W319 R320 Q324 K325 L326 E337E318-H322 PolarHBondContact O-N 3.24Å; W319-H322 HydrophobicContact CE3-CB 4.06Å; W319-H322 AromaticContact CE3-CD2 3.76Å; W319-H322 HydrophobicContact CZ3-CB 4.44Å; W319-H322 AromaticContact CZ3-CD2 3.26Å; W319-H322 WeakPolarHBondContact CZ3-CD2 3.47Å; W319-H322 WeakPolarHBondContact O-CA 3.45Å; W319-H322 WeakPolarHBondContact O-CB 3.34Å; W319-H322 PolarHBondContact O-N 3.28Å; R320-H322 VanDerWaalsContact C-N 3.3Å; R320-H322 PolarHBondContact O-N 3.14Å; H322-Q324 VanDerWaalsContact C-N 3.32Å; H322-Q324 PolarHBondContact O-N 3.44Å; H322-K325 WeakPolarHBondContact O-CB 3.47Å; H322-K325 PolarHBondContact O-N 2.72Å; H322-L326 WeakPolarHBondContact NE2-CD1 3.49Å; H322-L326 PolarHBondContact O-N 3.08Å; H322-L326 VanDerWaalsContact O-N 3.11Å; H322-E337 IonicContact CD2-OE1 2.86Å; H322-E337 IonicContact CE1-OE1 3.39Å; H322-E337 IonicContact NE2-OE1 3.88Å; H322-E337 PolarHBondContact NE2-OE1 3.1Å; H322-E337 IonicContact NE2-OE2 3.71Å
323L96.5Very high95.8Very high0 Ų069.5 Ų69.50%035%0.35CS..Hα-helixtrans-59-43.5176-72.5175.6000112.1W319 R320 K325 L326 N327 L328 I336W319-L323 HydrophobicContact CD2-CD1 4.34Å; W319-L323 HydrophobicContact CD2-CG 4.13Å; W319-L323 HydrophobicContact CE3-CG 4.47Å; W319-L323 HydrophobicContact CH2-CD2 3.69Å; W319-L323 HydrophobicContact CH2-CG 4.15Å; W319-L323 HydrophobicContact CZ2-CD1 3.96Å; W319-L323 HydrophobicContact CZ2-CD2 3.51Å; W319-L323 HydrophobicContact CZ2-CG 3.78Å; W319-L323 HydrophobicContact CZ3-CD2 4.36Å; W319-L323 HydrophobicContact CZ3-CG 4.48Å; W319-L323 PolarHBondContact O-N 3.2Å; R320-L323 PolarHBondContact O-N 2.98Å; L323-K325 PolarHBondContact O-N 3.14Å; L323-L326 CarbonylContact O-C 3.42Å; L323-L326 PolarHBondContact O-N 3.49Å; L323-L326 VanDerWaalsContact O-N 3.13Å; L323-N327 PolarHBondContact O-N 2.89Å; L323-N327 VanDerWaalsContact O-N 3.16Å; L323-L328 HydrophobicContact CB-CB 4.49Å; L323-L328 HydrophobicContact CD2-CB 3.93Å; L323-L328 HydrophobicContact CD2-CD1 4.05Å; L323-L328 PolarHBondContact O-N 2.74Å; L323-I336 HydrophobicContact CD2-CG2 3.94Å
324Q96.3Very high95.6Very high107 Ų10768 Ų6850%0.534%0.34SS..Hα-helixtrans-61.7-41.8176-73.5175.8-21.600112.2R320 H322 L326 N327 L330R320-Q324 WeakPolarHBondContact O-CG 3.48Å; R320-Q324 PolarHBondContact O-N 3.26Å; H322-Q324 VanDerWaalsContact C-N 3.32Å; H322-Q324 PolarHBondContact O-N 3.44Å; Q324-L326 PolarHBondContact O-N 2.94Å; Q324-N327 PolarHBondContact O-N 2.87Å; Q324-L330 HydrophobicContact CG-CD2 3.83Å
325K96.3Very high95.5Very high171 Ų17164.2 Ų64.274%0.74332%0.323SS*.Hα-helixtrans-61.1-31.8175.1-74.6173.5-177179.20112.6N321 H322 L323 N327N321-K325 VanDerWaalsContact O-CG 3.32Å; N321-K325 WeakPolarHBondContact O-CG 3.49Å; N321-K325 PolarHBondContact O-N 3.12Å; H322-K325 WeakPolarHBondContact O-CB 3.47Å; H322-K325 PolarHBondContact O-N 2.72Å; L323-K325 PolarHBondContact O-N 3.14Å; K325-N327 VanDerWaalsContact C-N 3.32Å
326L94.6Very high95.3Very high78 Ų7863.3 Ų63.341%0.40832%0.321SS..THydrogen-bonded Turntrans-861.3176.3-64.9-179000113.7H322 L323 Q324 L328 E337H322-L326 WeakPolarHBondContact NE2-CD1 3.49Å; H322-L326 PolarHBondContact O-N 3.08Å; H322-L326 VanDerWaalsContact O-N 3.11Å; L323-L326 CarbonylContact O-C 3.42Å; L323-L326 PolarHBondContact O-N 3.49Å; L323-L326 VanDerWaalsContact O-N 3.13Å; Q324-L326 PolarHBondContact O-N 2.94Å; L326-L328 HydrophobicContact CB-CD1 3.83Å; L326-L328 HydrophobicContact CB-CG 3.88Å; L326-L328 HydrophobicContact CD1-CD1 3.95Å; L326-L328 PolarHBondContact O-N 3.1Å; L326-E337 HydrophobicContact CD1-CG 4.25Å
327N95.6Very high95.1Very high153 Ų15366 Ų6682%0.81833%0.334SS*.THydrogen-bonded Turntrans54.435.1-171.8-61.3-55.3000113.4L323 Q324 K325L323-N327 PolarHBondContact O-N 2.89Å; L323-N327 VanDerWaalsContact O-N 3.16Å; Q324-N327 PolarHBondContact O-N 2.87Å; K325-N327 VanDerWaalsContact C-N 3.32Å
328L94.6Very high94.8Very high37 Ų3765.9 Ų65.919%0.19433%0.329CS..  trans-98.3148.8177.2-65.8173.9000111.1L323 L326 I336 L340L323-L328 HydrophobicContact CB-CB 4.49Å; L323-L328 HydrophobicContact CD2-CB 3.93Å; L323-L328 HydrophobicContact CD2-CD1 4.05Å; L323-L328 PolarHBondContact O-N 2.74Å; L326-L328 HydrophobicContact CB-CD1 3.83Å; L326-L328 HydrophobicContact CB-CG 3.88Å; L326-L328 HydrophobicContact CD1-CD1 3.95Å; L326-L328 PolarHBondContact O-N 3.1Å; L328-I336 HydrophobicContact CD1-CG1 4.01Å; L328-I336 HydrophobicContact CD1-CG2 3.9Å; L328-I336 HydrophobicContact CD2-CG1 4.44Å; L328-L340 HydrophobicContact CD1-CD1 4.32Å; L328-L340 HydrophobicContact CD2-CD1 4.04Å
329P94.2Very high94.6Very high76 Ų7665.5 Ų65.549%0.49432%0.324SS..  trans-56.1141.2174-2534.3000112.4D331 S332P329-D331 WeakPolarHBondContact CB-OD1 3.42Å; P329-D331 PolarHBondContact O-N 2.69Å; P329-S332 WeakPolarHBondContact O-CB 3.42Å; P329-S332 PolarHBondContact O-N 3.49Å; P329-S332 PolarHBondContact O-OG 2.85Å
330L91.5Very high94.4Very high96 Ų9668.5 Ų68.550%0.50334%0.341SS..THydrogen-bonded Turntrans-64.7-21.3-179.3-70.7178.7000113.6R320 Q324 S332R320-L330 HydrophobicContact CB-CD2 4Å; R320-L330 HydrophobicContact CG-CD2 4.25Å; Q324-L330 HydrophobicContact CG-CD2 3.83Å; L330-S332 VanDerWaalsContact C-N 3.33Å
331D90.9Very high94.2Very high109 Ų10971 Ų7158%0.58335%0.354SS*.THydrogen-bonded Turntrans-92.88.3178.166.8-35.8000113.3K302 P329K302-D331 PolarHBondContact NZ-O 3.28Å; P329-D331 WeakPolarHBondContact CB-OD1 3.42Å; P329-D331 PolarHBondContact O-N 2.69Å
332S93.1Very high93.9Very high16 Ų1670.1 Ų70.111%0.11236%0.358CS..  trans-52.1146.3177-67.70000112.3P329 L330P329-S332 WeakPolarHBondContact O-CB 3.42Å; P329-S332 PolarHBondContact O-N 3.49Å; P329-S332 PolarHBondContact O-OG 2.85Å; L330-S332 VanDerWaalsContact C-N 3.33Å
333P93.8Very high93.6Very high38 Ų3871.9 Ų71.925%0.24737%0.369CS..  trans-52.8151.5171-25.233.7000112.6D335 I336P333-D335 VanDerWaalsContact CB-OD1 3.3Å; P333-D335 WeakPolarHBondContact CB-OD1 3.36Å; P333-D335 PolarHBondContact O-N 2.66Å; P333-I336 WeakPolarHBondContact O-CB 3.37Å; P333-I336 WeakPolarHBondContact O-CG2 3.35Å; P333-I336 PolarHBondContact O-N 2.65Å; P333-I336 VanDerWaalsContact O-N 3.14Å
334W94.6Very high93.4Very high16 Ų1677.5 Ų77.56%0.06140%0.395CS..THydrogen-bonded Turntrans-61.4-25.2-178.366.5-90000113.3L222 Y224 R227 T228 V283L222-W334 HydrophobicContact CD2-CE3 3.96Å; L222-W334 HydrophobicContact CD2-CH2 3.37Å; L222-W334 HydrophobicContact CD2-CZ2 4.01Å; L222-W334 HydrophobicContact CD2-CZ3 3.34Å; Y224-W334 HydrophobicContact CD2-CE3 4.29Å; Y224-W334 HydrophobicContact CD2-CZ3 4.39Å; R227-W334 HydrophobicContact CB-CB 3.93Å; R227-W334 WeakPolarHBondContact O-CB 3.43Å; T228-W334 HydrophobicContact CG2-CB 3.69Å; T228-W334 HydrophobicContact CG2-CD2 3.78Å; T228-W334 HydrophobicContact CG2-CE3 4.22Å; T228-W334 HydrophobicContact CG2-CG 3.52Å; V283-W334 HydrophobicContact CB-CH2 3.94Å; V283-W334 HydrophobicContact CG1-CH2 3.78Å; V283-W334 HydrophobicContact CG1-CZ2 4.43Å
335D94.6Very high93Very high9 Ų975.7 Ų75.75%0.04839%0.389CS..THydrogen-bonded Turntrans-108.924.1-17961.8-27.2000112.5P333 E337 E338 R339P333-D335 VanDerWaalsContact CB-OD1 3.3Å; P333-D335 WeakPolarHBondContact CB-OD1 3.36Å; P333-D335 PolarHBondContact O-N 2.66Å; D335-E337 PolarHBondContact O-N 3.37Å; D335-E338 WeakPolarHBondContact CA-OE2 3.44Å; D335-E338 HydrophobicContact CB-CB 4.46Å; D335-E338 PolarHBondContact O-N 2.83Å; D335-E338 VanDerWaalsContact O-N 3.12Å; D335-R339 WeakPolarHBondContact O-CG 3.31Å; D335-R339 PolarHBondContact O-N 3.44Å; D335-R339 IonicContact OD1-CZ 3.4Å; D335-R339 VanDerWaalsContact OD1-CZ 3.23Å; D335-R339 IonicContact OD1-NE 3.95Å; D335-R339 PolarHBondContact OD1-NE 3.36Å; D335-R339 IonicContact OD1-NH2 3.96Å; D335-R339 PolarHBondContact OD1-NH2 2.85Å; D335-R339 IonicContact OD2-CZ 3.56Å; D335-R339 IonicContact OD2-NE 3.7Å; D335-R339 PolarHBondContact OD2-NE 3.13Å; D335-R339 IonicContact OD2-NH2 2.8Å; D335-R339 PolarHBondContact OD2-NH2 3.12Å
336I94.4Very high92.7Very high24 Ų2474.8 Ų74.812%0.12339%0.385CS..Hα-helixtrans-55.3-37.1-176.5-174.657.4000112.7W319 L323 L328 P333 R339 L340W319-I336 HydrophobicContact CH2-CG2 4.1Å; W319-I336 HydrophobicContact CZ2-CG2 4.24Å; L323-I336 HydrophobicContact CD2-CG2 3.94Å; L328-I336 HydrophobicContact CD1-CG1 4.01Å; L328-I336 HydrophobicContact CD1-CG2 3.9Å; L328-I336 HydrophobicContact CD2-CG1 4.44Å; P333-I336 WeakPolarHBondContact O-CB 3.37Å; P333-I336 WeakPolarHBondContact O-CG2 3.35Å; P333-I336 PolarHBondContact O-N 2.65Å; P333-I336 VanDerWaalsContact O-N 3.14Å; I336-R339 PolarHBondContact O-N 3.46Å; I336-L340 HydrophobicContact CD1-CD1 4.45Å; I336-L340 HydrophobicContact CD1-CG 4.17Å; I336-L340 HydrophobicContact CG1-CD1 4.15Å; I336-L340 HydrophobicContact CG1-CG 4.34Å; I336-L340 WeakPolarHBondContact O-CB 3.29Å; I336-L340 VanDerWaalsContact O-CG 3.24Å; I336-L340 WeakPolarHBondContact O-CG 3.41Å; I336-L340 PolarHBondContact O-N 3.36Å
337E93.3Very high92.4Very high62 Ų6275.9 Ų75.929%0.2939%0.387SS..Hα-helixtrans-63.7-45.9179.1-61.3176104.800110.7R227 H322 L326 D335 L340 K341R227-E337 IonicContact CZ-OE2 3.52Å; R227-E337 VanDerWaalsContact CZ-OE2 3.28Å; R227-E337 IonicContact NH1-OE2 2.76Å; R227-E337 PolarHBondContact NH1-OE2 3.42Å; R227-E337 IonicContact NH2-OE2 3.45Å; R227-E337 PolarHBondContact NH2-OE2 2.94Å; H322-E337 IonicContact CD2-OE1 2.86Å; H322-E337 IonicContact CE1-OE1 3.39Å; H322-E337 IonicContact NE2-OE1 3.88Å; H322-E337 PolarHBondContact NE2-OE1 3.1Å; H322-E337 IonicContact NE2-OE2 3.71Å; L326-E337 HydrophobicContact CD1-CG 4.25Å; D335-E337 PolarHBondContact O-N 3.37Å; E337-L340 PolarHBondContact O-N 3.01Å; E337-K341 PolarHBondContact O-N 3.3Å; E337-K341 VanDerWaalsContact O-N 3.09Å
338E92.2Very high92.1Very high65 Ų6572.9 Ų72.930%0.30437%0.368SS..Hα-helixtrans-63.8-42.4174.7-69.982.3176.200112.2D335 K341 A342D335-E338 WeakPolarHBondContact CA-OE2 3.44Å; D335-E338 HydrophobicContact CB-CB 4.46Å; D335-E338 PolarHBondContact O-N 2.83Å; D335-E338 VanDerWaalsContact O-N 3.12Å; E338-K341 PolarHBondContact O-N 3.36Å; E338-A342 WeakPolarHBondContact O-CB 3.5Å; E338-A342 PolarHBondContact O-N 2.83Å
339R93Very high91.7Very high72 Ų7277.5 Ų77.527%0.27239%0.387SS..Hα-helixtrans-62.2-43.5177.4-69.8-177.5-172.1-161.54.2111.8E300 D335 I336 A342 N343E300-R339 IonicContact OE1-CZ 3.68Å; E300-R339 IonicContact OE1-NH1 2.79Å; E300-R339 IonicContact OE1-NH2 2.72Å; E300-R339 PolarHBondContact OE1-NH2 3.12Å; E300-R339 IonicContact OE2-NH2 3.56Å; D335-R339 WeakPolarHBondContact O-CG 3.31Å; D335-R339 PolarHBondContact O-N 3.44Å; D335-R339 IonicContact OD1-CZ 3.4Å; D335-R339 VanDerWaalsContact OD1-CZ 3.23Å; D335-R339 IonicContact OD1-NE 3.95Å; D335-R339 PolarHBondContact OD1-NE 3.36Å; D335-R339 IonicContact OD1-NH2 3.96Å; D335-R339 PolarHBondContact OD1-NH2 2.85Å; D335-R339 IonicContact OD2-CZ 3.56Å; D335-R339 IonicContact OD2-NE 3.7Å; D335-R339 PolarHBondContact OD2-NE 3.13Å; D335-R339 IonicContact OD2-NH2 2.8Å; D335-R339 PolarHBondContact OD2-NH2 3.12Å; I336-R339 PolarHBondContact O-N 3.46Å; R339-A342 PolarHBondContact O-N 3.31Å; R339-N343 WeakPolarHBondContact O-CB 3.26Å; R339-N343 PolarHBondContact O-N 2.85Å; R339-N343 PolarHBondContact O-ND2 3.33Å
340L93.3Very high91.3Very high86 Ų8678.3 Ų78.345%0.4539%0.387SS..Hα-helixtrans-62.6-45.5177-71.8173.5000111.3L328 I336 E337 A342 N343 Q344L328-L340 HydrophobicContact CD1-CD1 4.32Å; L328-L340 HydrophobicContact CD2-CD1 4.04Å; I336-L340 HydrophobicContact CD1-CD1 4.45Å; I336-L340 HydrophobicContact CD1-CG 4.17Å; I336-L340 HydrophobicContact CG1-CD1 4.15Å; I336-L340 HydrophobicContact CG1-CG 4.34Å; I336-L340 WeakPolarHBondContact O-CB 3.29Å; I336-L340 VanDerWaalsContact O-CG 3.24Å; I336-L340 WeakPolarHBondContact O-CG 3.41Å; I336-L340 PolarHBondContact O-N 3.36Å; E337-L340 PolarHBondContact O-N 3.01Å; L340-A342 PolarHBondContact O-N 3Å; L340-N343 PolarHBondContact O-N 2.95Å; L340-Q344 PolarHBondContact O-N 2.62Å
341K91.8Very high91Very high139 Ų13979.8 Ų79.860%0.60439%0.389SS*.Hα-helixtrans-61.9-44.1176.2-172.7177.7-179.2-179.80112E337 E338 Q344 I345E337-K341 PolarHBondContact O-N 3.3Å; E337-K341 VanDerWaalsContact O-N 3.09Å; E338-K341 PolarHBondContact O-N 3.36Å; K341-Q344 PolarHBondContact O-N 3.11Å; K341-I345 HydrophobicContact CG-CD1 4.12Å; K341-I345 WeakPolarHBondContact O-CG1 3.48Å; K341-I345 PolarHBondContact O-N 3.45Å
342A89.7Confident90.6Very high57 Ų5780.3 Ų80.347%0.47139%0.388SS..Hα-helixtrans-63.3-41.3177.200000112E338 R339 L340 I345 K346E338-A342 WeakPolarHBondContact O-CB 3.5Å; E338-A342 PolarHBondContact O-N 2.83Å; R339-A342 PolarHBondContact O-N 3.31Å; L340-A342 PolarHBondContact O-N 3Å; A342-I345 PolarHBondContact O-N 2.94Å; A342-K346 VanDerWaalsContact O-CB 3.29Å; A342-K346 WeakPolarHBondContact O-CB 3.44Å; A342-K346 PolarHBondContact O-N 3.49Å
343N91.2Very high90Very high98 Ų9881.4 Ų81.452%0.52440%0.398SS..Hα-helixtrans-64.3-40.5176-76.3-24000112.1R339 L340 K346 H347R339-N343 WeakPolarHBondContact O-CB 3.26Å; R339-N343 PolarHBondContact O-N 2.85Å; R339-N343 PolarHBondContact O-ND2 3.33Å; L340-N343 PolarHBondContact O-N 2.95Å; N343-K346 PolarHBondContact O-N 3.28Å; N343-H347 WeakPolarHBondContact O-CB 3.27Å; N343-H347 PolarHBondContact O-N 2.89Å
344Q91.9Very high89.2Confident118 Ų11885.6 Ų85.655%0.55142%0.418SS*.Hα-helixtrans-60.9-51.7174.6-177.9179.7-6.800111.2L340 K341 K346 H347 E348L340-Q344 PolarHBondContact O-N 2.62Å; K341-Q344 PolarHBondContact O-N 3.11Å; Q344-K346 VanDerWaalsContact C-N 3.28Å; Q344-K346 PolarHBondContact O-N 2.94Å; Q344-H347 WeakPolarHBondContact O-CB 3.41Å; Q344-H347 PolarHBondContact O-N 3.28Å; Q344-H347 VanDerWaalsContact O-N 3.09Å; Q344-E348 WeakPolarHBondContact CG-OE1 3.32Å; Q344-E348 PolarHBondContact NE2-OE1 2.94Å; Q344-E348 WeakPolarHBondContact O-CG 3.34Å; Q344-E348 PolarHBondContact O-N 2.9Å
345I88.6Confident88.1Confident70 Ų7089.6 Ų89.636%0.35945%0.448SS..Hα-helixtrans-59.4-41.3178.2-67166.2000110.7K341 A342 H347 E348 K349K341-I345 HydrophobicContact CG-CD1 4.12Å; K341-I345 WeakPolarHBondContact O-CG1 3.48Å; K341-I345 PolarHBondContact O-N 3.45Å; A342-I345 PolarHBondContact O-N 2.94Å; I345-H347 VanDerWaalsContact C-N 3.33Å; I345-H347 PolarHBondContact O-N 3.46Å; I345-E348 PolarHBondContact O-N 2.92Å; I345-K349 HydrophobicContact CG2-CD 4.19Å; I345-K349 HydrophobicContact CG2-CG 4.45Å; I345-K349 WeakPolarHBondContact O-CB 3.24Å; I345-K349 WeakPolarHBondContact O-CG 3.41Å; I345-K349 PolarHBondContact O-N 3.18Å
346K88.7Confident86.9Confident152 Ų15296.2 Ų96.266%0.66148%0.476SS*.Hα-helixtrans-61.8-41.8176.6-175.8179.5178.8-178.70111.4A342 N343 Q344 L350A342-K346 VanDerWaalsContact O-CB 3.29Å; A342-K346 WeakPolarHBondContact O-CB 3.44Å; A342-K346 PolarHBondContact O-N 3.49Å; N343-K346 PolarHBondContact O-N 3.28Å; Q344-K346 VanDerWaalsContact C-N 3.28Å; Q344-K346 PolarHBondContact O-N 2.94Å; K346-L350 VanDerWaalsContact O-CB 3.31Å; K346-L350 WeakPolarHBondContact O-CB 3.43Å; K346-L350 PolarHBondContact O-N 3.21Å
347H89.5Confident85.6Confident100 Ų100100.3 Ų100.346%0.46351%0.507SS..Hα-helixtrans-68.3-40.1178.3-172.868.8000112.4N343 Q344 I345 L350 K351N343-H347 WeakPolarHBondContact O-CB 3.27Å; N343-H347 PolarHBondContact O-N 2.89Å; Q344-H347 WeakPolarHBondContact O-CB 3.41Å; Q344-H347 PolarHBondContact O-N 3.28Å; Q344-H347 VanDerWaalsContact O-N 3.09Å; I345-H347 VanDerWaalsContact C-N 3.33Å; I345-H347 PolarHBondContact O-N 3.46Å; H347-L350 PolarHBondContact O-N 3.2Å; H347-K351 WeakPolarHBondContact NE2-CE 3.5Å; H347-K351 PolarHBondContact NE2-NZ 3.47Å; H347-K351 WeakPolarHBondContact O-CG 3.39Å; H347-K351 PolarHBondContact O-N 3.48Å
348E89.4Confident84.5Confident91 Ų91104 Ų10443%0.42552%0.522SS..Hα-helixtrans-62.2-49.4173.5-72.2168.2-174.300111.1Q344 I345 L350 K351 E352Q344-E348 WeakPolarHBondContact CG-OE1 3.32Å; Q344-E348 PolarHBondContact NE2-OE1 2.94Å; Q344-E348 WeakPolarHBondContact O-CG 3.34Å; Q344-E348 PolarHBondContact O-N 2.9Å; I345-E348 PolarHBondContact O-N 2.92Å; E348-L350 VanDerWaalsContact C-N 3.29Å; E348-L350 PolarHBondContact O-N 2.97Å; E348-K351 WeakPolarHBondContact O-CB 3.49Å; E348-K351 PolarHBondContact O-N 3.27Å; E348-K351 VanDerWaalsContact O-N 3.14Å; E348-E352 PolarHBondContact O-N 3.39Å
349K86Confident83.7Confident134 Ų134106.5 Ų106.558%0.58353%0.534SS*.Hα-helixtrans-60.2-36.7174.6-74.4-176.4177.1-174.60112.8I345 E352 A353I345-K349 HydrophobicContact CG2-CD 4.19Å; I345-K349 HydrophobicContact CG2-CG 4.45Å; I345-K349 WeakPolarHBondContact O-CB 3.24Å; I345-K349 WeakPolarHBondContact O-CG 3.41Å; I345-K349 PolarHBondContact O-N 3.18Å; K349-E352 PolarHBondContact O-N 3.04Å; K349-A353 VanDerWaalsContact O-CB 3.23Å; K349-A353 WeakPolarHBondContact O-CB 3.5Å; K349-A353 PolarHBondContact O-N 2.92Å
350L85.4Confident83Confident93 Ų93113.1 Ų113.149%0.48757%0.568SS.*Hα-helixtrans-65.5-42176.1-17666000111.3K346 H347 E348 A353 L354K346-L350 VanDerWaalsContact O-CB 3.31Å; K346-L350 WeakPolarHBondContact O-CB 3.43Å; K346-L350 PolarHBondContact O-N 3.21Å; H347-L350 PolarHBondContact O-N 3.2Å; E348-L350 VanDerWaalsContact C-N 3.29Å; E348-L350 PolarHBondContact O-N 2.97Å; L350-A353 PolarHBondContact O-N 3.37Å; L350-L354 HydrophobicContact CG-CD1 4.25Å; L350-L354 VanDerWaalsContact O-CG 3.26Å; L350-L354 WeakPolarHBondContact O-CG 3.5Å; L350-L354 PolarHBondContact O-N 2.85Å
351K86.1Confident82.4Confident126 Ų126116.6 Ų116.655%0.54858%0.581SS.*Hα-helixtrans-61.6-42.4174.5-74.7178.6177.41660112H347 E348 L354H347-K351 WeakPolarHBondContact NE2-CE 3.5Å; H347-K351 PolarHBondContact NE2-NZ 3.47Å; H347-K351 WeakPolarHBondContact O-CG 3.39Å; H347-K351 PolarHBondContact O-N 3.48Å; E348-K351 WeakPolarHBondContact O-CB 3.49Å; E348-K351 PolarHBondContact O-N 3.27Å; E348-K351 VanDerWaalsContact O-N 3.14Å; K351-L354 PolarHBondContact O-N 3.04Å
352E82.7Confident82Confident121 Ų121113.1 Ų113.157%0.56557%0.57SS**Hα-helixtrans-68-35.7175.5-69.2-180177.800112.9E348 K349 L354 S355E348-E352 PolarHBondContact O-N 3.39Å; K349-E352 PolarHBondContact O-N 3.04Å; E352-L354 VanDerWaalsContact C-N 3.35Å; E352-S355 PolarHBondContact O-N 3.36Å; E352-S355 PolarHBondContact O-OG 2.89Å
353A80.2Confident81.7Confident39 Ų39117.1 Ų117.132%0.32258%0.583SS.*Hα-helixtrans-73.9-26.5178.500000112.7K349 L350 S355K349-A353 VanDerWaalsContact O-CB 3.23Å; K349-A353 WeakPolarHBondContact O-CB 3.5Å; K349-A353 PolarHBondContact O-N 2.92Å; L350-A353 PolarHBondContact O-N 3.37Å; A353-S355 VanDerWaalsContact C-N 3.28Å
354L76.3Confident81.5Confident126 Ų126121.4 Ų121.466%0.6660%0.597SS**Hα-helixtrans-72.2-20.4174.8-75.8165.9000112.9L350 K351 E352L350-L354 HydrophobicContact CG-CD1 4.25Å; L350-L354 VanDerWaalsContact O-CG 3.26Å; L350-L354 WeakPolarHBondContact O-CG 3.5Å; L350-L354 PolarHBondContact O-N 2.85Å; K351-L354 PolarHBondContact O-N 3.04Å; E352-L354 VanDerWaalsContact C-N 3.35Å
355S72.8Confident81Confident100 Ų100118.1 Ų118.170%0.69960%0.595SS**SBendtrans-91.8-8.5178.7650000114.3E352 A353E352-S355 PolarHBondContact O-N 3.36Å; E352-S355 PolarHBondContact O-OG 2.89Å; A353-S355 VanDerWaalsContact C-N 3.28Å
356K68.8Low80.9Confident148 Ų148120.6 Ų120.664%0.64361%0.608SS**SBendtrans-108.5145.4179.4-66.9179.6-178.4175.60110.7K358K356-K358 PolarHBondContact O-N 3.46Å
357S66.4Low80.6Confident110 Ų110121.7 Ų121.777%0.76962%0.616SS**  trans-59.6121.2162.6-1750000108.2H359S357-H359 VanDerWaalsContact C-N 3.29Å; S357-H359 PolarHBondContact O-N 3.46Å; S357-H359 PolarHBondContact OG-O 2.97Å
358K69.6Low80.1Confident139 Ų139123.4 Ų123.460%0.60463%0.627SS**SBendtrans-75.3-18.6-173.8-72.3-178.8179.7174.50113.8K356K356-K358 PolarHBondContact O-N 3.46Å
359H76.2Confident79.7Confident118 Ų118127.4 Ų127.455%0.54665%0.646SS.*  trans-122.6121.8-176.1-58.3-77.6000107.8S357 N362S357-H359 VanDerWaalsContact C-N 3.29Å; S357-H359 PolarHBondContact O-N 3.46Å; S357-H359 PolarHBondContact OG-O 2.97Å; H359-N362 HydrophobicContact CB-CB 4.15Å
360E78.2Confident78.7Confident210 Ų210126 Ų12698%0.98165%0.653SS**SBendtrans-64.3-34.1171.8-69.6-175.2164.700110.4
361E81.1Confident77.1Confident159 Ų159128.4 Ų128.474%0.74366%0.662SS**  trans-131.4130.8175-64.1176.217600109
362N83.3Confident75Confident67 Ų67127 Ų12736%0.35867%0.668SS.*  trans-142.650.6170.8-171.714.4000109.3H359 F364 G365 I366H359-N362 HydrophobicContact CB-CB 4.15Å; N362-F364 PolarHBondContact O-N 3.26Å; N362-F364 VanDerWaalsContact O-N 3.1Å; N362-G365 PolarHBondContact O-N 3.33Å; N362-I366 PolarHBondContact ND2-O 3.4Å; N362-I366 WeakPolarHBondContact OD1-CB 3.44Å; N362-I366 PolarHBondContact OD1-N 3.33Å
363D84.3Confident73Confident141 Ų141125.9 Ų125.975%0.75467%0.671SS**THydrogen-bonded Turntrans-60.8-23.1-172.2-64.6-12000113.3G365D363-G365 VanDerWaalsContact C-N 3.34Å
364F86.5Confident70.7Confident187 Ų187129.5 Ų129.582%0.8269%0.694SS**THydrogen-bonded Turntrans-87.71.4178.4-68.3-84.8000113.7N362 I366N362-F364 PolarHBondContact O-N 3.26Å; N362-F364 VanDerWaalsContact O-N 3.1Å; F364-I366 HydrophobicContact CB-CD1 4.15Å; F364-I366 HydrophobicContact CB-CG1 3.89Å; F364-I366 PolarHBondContact O-N 2.88Å
365G81.3Confident68.5Low49 Ų49132.2 Ų132.251%0.50570%0.701SS.*  trans58.937-179.700000112.4N362 D363 E367N362-G365 PolarHBondContact O-N 3.33Å; D363-G365 VanDerWaalsContact C-N 3.34Å; G365-E367 PolarHBondContact O-N 2.88Å
366I86Confident66.5Low122 Ų122133.3 Ų133.363%0.62670%0.703SS**  trans-68.9120.1-179.2-61169000107.6N362 F364N362-I366 PolarHBondContact ND2-O 3.4Å; N362-I366 WeakPolarHBondContact OD1-CB 3.44Å; N362-I366 PolarHBondContact OD1-N 3.33Å; F364-I366 HydrophobicContact CB-CD1 4.15Å; F364-I366 HydrophobicContact CB-CG1 3.89Å; F364-I366 PolarHBondContact O-N 2.88Å
367E81.9Confident64.5Low176 Ų176135.7 Ų135.782%0.82272%0.717SS**  trans-107.7144.2176.7-66.6-177.7-176.200110.2G365G365-E367 PolarHBondContact O-N 2.88Å
368L80.5Confident62.7Low136 Ų136135 Ų13571%0.71271%0.712SS**  trans-92.8108.4171.7-175.173.7000108.1S370L368-S370 PolarHBondContact O-N 3.36Å
369E79.3Confident60.6Low175 Ų175134.8 Ų134.882%0.81872%0.723SS**  trans-61.8120.6174.1-70.5-172.9169.500110.1E371E369-E371 PolarHBondContact O-N 3.2Å
370S65.5Low58.3Low105 Ų105134.8 Ų134.873%0.73474%0.735SS**  trans-77.698.817461.70000109.9L368 S372L368-S370 PolarHBondContact O-N 3.36Å; S370-S372 PolarHBondContact O-N 2.94Å
371E51.3Low55.8Low142 Ų142131.6 Ų131.666%0.66472%0.724SS**  trans-71.879164.3-71.5-170.4179.900109.4E369 K397E369-E371 PolarHBondContact O-N 3.2Å; E371-K397 IonicContact OE1-NZ 3.11Å; E371-K397 PolarHBondContact OE1-NZ 2.98Å; E371-K397 IonicContact OE2-NZ 3.58Å
372S43Very low53.3Low98 Ų98130.2 Ų130.269%0.68572%0.72SS**  trans-98.7111.1157-59.20000106.6S370 S374S370-S372 PolarHBondContact O-N 2.94Å; S372-S374 PolarHBondContact O-N 3.26Å
373P40.7Very low50.6Low97 Ų97135.4 Ų135.463%0.6374%0.74SS**  trans-60129.1164.50.512000106F375P373-F375 HydrophobicContact CB-CD2 3.92Å; P373-F375 HydrophobicContact CB-CE2 4.07Å; P373-F375 HydrophobicContact CG-CD2 4.26Å; P373-F375 HydrophobicContact CG-CE2 4.29Å; P373-F375 PolarHBondContact O-N 3.2Å
374S32Very low48Very low114 Ų114136.7 Ų136.780%0.79774%0.741SS**  trans-62.774.3168.741.50000109.8S372 T376S372-S374 PolarHBondContact O-N 3.26Å; S374-T376 VanDerWaalsContact C-N 3.26Å; S374-T376 PolarHBondContact O-N 2.95Å
375F30.5Very low45.3Very low184 Ų184134.9 Ų134.981%0.80774%0.74SS**  trans-72.593.8162.1-89.4-80.5000107P373P373-F375 HydrophobicContact CB-CD2 3.92Å; P373-F375 HydrophobicContact CB-CE2 4.07Å; P373-F375 HydrophobicContact CG-CD2 4.26Å; P373-F375 HydrophobicContact CG-CE2 4.29Å; P373-F375 PolarHBondContact O-N 3.2Å
376T30.1Very low42.9Very low122 Ų122141.4 Ų141.475%0.74876%0.762SS**  trans-53.5135.7163.227.50000109.4S374 S378S374-T376 VanDerWaalsContact C-N 3.26Å; S374-T376 PolarHBondContact O-N 2.95Å; T376-S378 PolarHBondContact O-N 3.47Å; T376-S378 VanDerWaalsContact O-N 3.09Å
377E26Very low40.4Very low198 Ų198139.9 Ų139.993%0.92576%0.763SS**  trans-55.7108.3179-66.7174.6146.700111.3
378S29.9Very low38Very low97 Ų97138.7 Ų138.768%0.67876%0.762SS**  trans-155.796.6156.653.40000109.6T376T376-S378 PolarHBondContact O-N 3.47Å; T376-S378 VanDerWaalsContact O-N 3.09Å
379T24.6Very low35.7Very low134 Ų134137.9 Ų137.982%0.82277%0.768SS**  trans28110.1142.551.30000117.9
380C27.8Very low33.6Very low118 Ų118135.3 Ų135.380%0.79776%0.759SS**  trans172.8104.6133.6-98.90000108.1
381N25.6Very low32.2Very low142 Ų142136.1 Ų136.176%0.75977%0.765SS**  54.6117.497.4-85.4-12.9000115.1
382I28.4Very low31.6Very low130 Ų130135.8 Ų135.867%0.66776%0.764SS**  trans89.8104.6136.3-61.3168.6000117.1
383K28.4Very low31.3Very low177 Ų177133.5 Ų133.577%0.7776%0.755SS**  trans72.2141.5133.9-62.4176-173177.90120.6
384H29.5Very low31.3Very low167 Ų167136.2 Ų136.277%0.77377%0.77SS**  trans70105.4159.4-78.3-75.4000116.8
385D29.8Very low31.9Very low149 Ų149133.3 Ų133.380%0.79776%0.758SS**  -172.888.9126.8-90-18.4000109.2
386L30.5Very low32.4Very low187 Ų187130.1 Ų130.198%0.97975%0.754SS**  trans-109.866.1166.4-85.8158.2000107.3
387S33.3Very low33.2Very low90 Ų90131.5 Ų131.563%0.62975%0.749SS**  trans-156.470.7169.6600000109.2
388N31.1Very low34Very low150 Ų150127 Ų12780%0.80274%0.735SS**  trans-16482.3157.2-96.5-20.5000107.3N390N388-N390 PolarHBondContact O-N 3.47Å
389S33Very low34.8Very low120 Ų120129.6 Ų129.684%0.83974%0.741SS**  trans-75.764.4162.458.60000109.2
390N35.7Very low35.8Very low120 Ų120131.9 Ų131.964%0.64274%0.736SS**  trans-92.290149.6-84.9-1.6000105.1N388 E392N388-N390 PolarHBondContact O-N 3.47Å; N390-E392 HydrophobicContact CB-CG 4.44Å; N390-E392 PolarHBondContact O-N 2.87Å
391S35.2Very low36.5Very low123 Ų123132 Ų13286%0.8673%0.733SS**  trans-72.264.516058.10000108.1G393S391-G393 PolarHBondContact O-N 3.41Å
392E39.7Very low37.2Very low134 Ų134131 Ų13163%0.62673%0.732SS**  trans-70.7119.2157.1-74.6-178.4164.700105.5N390 V394N390-E392 HydrophobicContact CB-CG 4.44Å; N390-E392 PolarHBondContact O-N 2.87Å; E392-V394 PolarHBondContact O-N 2.96Å
393G36.2Very low37.5Very low50 Ų50131.3 Ų131.352%0.51574%0.735SS.*  trans-51.8128172.900000108.6S391 G395 V396S391-G393 PolarHBondContact O-N 3.41Å; G393-G395 PolarHBondContact O-N 2.89Å; G393-V396 PolarHBondContact O-N 3.32Å
394V39.6Very low38Very low154 Ų154129.7 Ų129.793%0.93374%0.735SS**THydrogen-bonded Turntrans-49.9106.3170.4179.20000107.4E392E392-V394 PolarHBondContact O-N 2.96Å
395G46.2Very low38.2Very low54 Ų54128.9 Ų128.956%0.55773%0.734SS**THydrogen-bonded Turntrans125.7-1179.500000117.4G393G393-G395 PolarHBondContact O-N 2.89Å
396V40.8Very low38.5Very low117 Ų117130.6 Ų130.671%0.70973%0.734SS**  trans-110.9114175.3-170.90000110.2G393G393-V396 PolarHBondContact O-N 3.32Å
397K45.6Very low38.4Very low151 Ų151129 Ų12966%0.65773%0.726SS**  trans-107.8135.1170.6-142.5174.6-168.5169.90108.5E371 L399E371-K397 IonicContact OE1-NZ 3.11Å; E371-K397 PolarHBondContact OE1-NZ 2.98Å; E371-K397 IonicContact OE2-NZ 3.58Å; K397-L399 PolarHBondContact O-N 3.44Å
398T42.7Very low38.4Very low103 Ų103131.5 Ų131.563%0.63273%0.732SS**  trans-63.4134.4170.540.90000109.7Y400T398-Y400 PolarHBondContact O-N 2.9Å
399L47.5Very low38.5Very low151 Ų151129.3 Ų129.379%0.79173%0.728SS**SBendtrans-63.6-12.3-179.2-141.5104.8000113.4K397K397-L399 PolarHBondContact O-N 3.44Å
400Y46.3Very low38.5Very low183 Ų183131.6 Ų131.672%0.71873%0.731SS**SBendtrans-126.2114.3-179.4-39.7-76.3000108.1T398 V402T398-Y400 PolarHBondContact O-N 2.9Å; Y400-V402 PolarHBondContact O-N 3.33Å
401T41.2Very low38.5Very low119 Ų119131.2 Ų131.273%0.7374%0.738SS**  trans-64.3115164.119.60000108N403T401-N403 VanDerWaalsContact C-N 3.34Å; T401-N403 PolarHBondContact O-N 3.32Å
402V41.1Very low38.5Very low122 Ų122134.2 Ų134.274%0.73974%0.738SS**  trans-65.7103.7159.9-178.60000105.5Y400 N404Y400-V402 PolarHBondContact O-N 3.33Å; V402-N404 VanDerWaalsContact C-N 3.27Å; V402-N404 PolarHBondContact O-N 2.91Å
403N34.4Very low38Very low137 Ų137136.8 Ų136.873%0.73375%0.75SS**  trans-63.193.4171.8-85-16.2000107.8T401 I405T401-N403 VanDerWaalsContact C-N 3.34Å; T401-N403 PolarHBondContact O-N 3.32Å; N403-I405 VanDerWaalsContact C-N 3.28Å; N403-I405 PolarHBondContact O-N 3.22Å
404N39Very low37.8Very low143 Ų143140.4 Ų140.477%0.76576%0.763SS**  trans-66.196.9160.4-82.3-16.4000106.5V402 K406V402-N404 VanDerWaalsContact C-N 3.27Å; V402-N404 PolarHBondContact O-N 2.91Å; N404-K406 PolarHBondContact O-N 2.97Å
405I33Very low37.4Very low149 Ų149138.7 Ų138.776%0.76476%0.757SS**  trans-57.8104171.2-64.5172.6000106.6N403 I407N403-I405 VanDerWaalsContact C-N 3.28Å; N403-I405 PolarHBondContact O-N 3.22Å; I405-I407 HydrophobicContact CG2-CG1 4.37Å; I405-I407 PolarHBondContact O-N 3.41Å
406K35.4Very low36.8Very low185 Ų185143.3 Ų143.380%0.80477%0.769SS**  trans-69.4105.7163.9-76.7-176.2177.1179.80106.8N404 N408N404-K406 PolarHBondContact O-N 2.97Å; K406-N408 PolarHBondContact O-N 3.45Å
407I29.8Very low36.3Very low155 Ų155143 Ų14380%0.79577%0.771SS**  trans-68.6102.1164.7-61.8174.9000105.9I405I405-I407 HydrophobicContact CG2-CG1 4.37Å; I405-I407 PolarHBondContact O-N 3.41Å
408N33.8Very low35.7Very low142 Ų142144.3 Ų144.376%0.75978%0.777SS**  trans-77.5118.4169.2-92.3-12.9000108.4K406 N410K406-N408 PolarHBondContact O-N 3.45Å; N408-N410 PolarHBondContact O-N 2.9Å
409S31.6Very low35.3Very low104 Ų104145.7 Ų145.773%0.72778%0.779SS**SBendtrans-61.3112.9164.841.10000110.4
410N32.7Very low35.1Very low168 Ų168142.8 Ų142.890%0.89877%0.772SS**  trans169.945.5147.1-87.5-14000112.3N408N408-N410 PolarHBondContact O-N 2.9Å
411S36.2Very low34.9Very low111 Ų111143.4 Ų143.478%0.77678%0.781SS**SBendtrans-125.3122.6163.251.90000108.9
412Q35.6Very low35.4Very low186 Ų186140.7 Ų140.787%0.86977%0.765SS**  trans-50.3130.7-172.5-70.8158.9-57.200113.1
413E29.4Very low36.5Very low188 Ų188143.2 Ų143.288%0.87977%0.774SS**  trans47.776.9144.5-62.2-176.8170.300117.4
414T32.1Very low38.2Very low127 Ų127139.6 Ų139.678%0.77975%0.754SS**  trans-137.7107.1143.153.90000108.5D416T414-D416 PolarHBondContact O-N 2.91Å; T414-D416 VanDerWaalsContact O-N 3.17Å
415S30Very low40.2Very low118 Ų118136 Ų13683%0.82574%0.741SS**  trans-11.297.8173.957.10000117C417S415-C417 PolarHBondContact O-N 3.05Å; S415-C417 VanDerWaalsContact O-N 3.16Å
416D33.9Very low42.2Very low151 Ų151135.6 Ų135.681%0.80774%0.739SS**  trans-72.3101157.4-86.5-30000108.1T414 F418T414-D416 PolarHBondContact O-N 2.91Å; T414-D416 VanDerWaalsContact O-N 3.17Å; D416-F418 VanDerWaalsContact C-N 3.31Å; D416-F418 PolarHBondContact O-N 3.43Å
417C30.4Very low44.4Very low111 Ų111134.5 Ų134.575%0.7574%0.737SS**  trans-77.386.7174.9-153.50000108.1S415 I419S415-C417 PolarHBondContact O-N 3.05Å; S415-C417 VanDerWaalsContact O-N 3.16Å; C417-I419 PolarHBondContact O-N 3.37Å
418F33Very low46.9Very low178 Ų178129.1 Ų129.178%0.78171%0.713SS**  trans-53.2123.8149.7-88.7-93.7000106.6D416 S420D416-F418 VanDerWaalsContact C-N 3.31Å; D416-F418 PolarHBondContact O-N 3.43Å; F418-S420 PolarHBondContact O-N 3.32Å
419I34Very low48.7Very low131 Ų131126.3 Ų126.367%0.67270%0.698SS**  trans-71.577.6164.8-59.2178.1000106.2C417 Q421 T422C417-I419 PolarHBondContact O-N 3.37Å; I419-Q421 PolarHBondContact O-N 3.1Å; I419-T422 HydrophobicContact CG2-CG2 4.36Å; I419-T422 WeakPolarHBondContact CG2-OG1 3.29Å
420S45Very low51Low91 Ų91127.7 Ų127.764%0.63669%0.694SS**  trans-66.6118155.154.60000106.3F418 T422F418-S420 PolarHBondContact O-N 3.32Å; S420-T422 VanDerWaalsContact C-N 3.31Å; S420-T422 PolarHBondContact O-N 2.93Å
421Q41.7Very low53.5Low196 Ų196122.4 Ų122.492%0.91667%0.674SS**SBendtrans10.673.3167.7-69.6-177.3-1600114.3I419I419-Q421 PolarHBondContact O-N 3.1Å
422T50.9Low55.7Low62 Ų62122.8 Ų122.838%0.3866%0.662SS.*  trans-83.2127.6172.846.10000107.3I419 S420 D424I419-T422 HydrophobicContact CG2-CG2 4.36Å; I419-T422 WeakPolarHBondContact CG2-OG1 3.29Å; S420-T422 VanDerWaalsContact C-N 3.31Å; S420-T422 PolarHBondContact O-N 2.93Å; T422-D424 PolarHBondContact O-N 3.16Å
423N64Low57.6Low175 Ų175120.5 Ų120.594%0.93665%0.652SS**  trans-66.631168.7-77.2-27.3000112.7S425N423-S425 PolarHBondContact O-N 3.26Å
424D71.7Confident60Low60 Ų60120.1 Ų120.132%0.32165%0.648SS.*  trans-69.8130.3178.5-81.7-0.2000108.8T422 K432T422-D424 PolarHBondContact O-N 3.16Å; D424-K432 IonicContact OD2-NZ 3.51Å; D424-K432 PolarHBondContact OD2-NZ 3.26Å
425S79.9Confident62.1Low69 Ų69121.4 Ų121.448%0.48365%0.65SS.*  trans-63.2153.2172.369.60000110.8N423 E427 S428 L429N423-S425 PolarHBondContact O-N 3.26Å; S425-E427 PolarHBondContact O-N 3.06Å; S425-E427 VanDerWaalsContact O-N 3.16Å; S425-S428 WeakPolarHBondContact O-CB 3.39Å; S425-S428 PolarHBondContact O-N 3.41Å; S425-S428 PolarHBondContact OG-N 2.96Å; S425-L429 PolarHBondContact O-N 3.16Å; S425-L429 VanDerWaalsContact O-N 3.14Å
426L74.5Confident63.8Low140 Ų140125.4 Ų125.473%0.73366%0.661SS**Hα-helixtrans-51.5-38.7176.9-174.271.6000112.2L429 M430L426-L429 WeakPolarHBondContact O-CB 3.48Å; L426-L429 PolarHBondContact O-N 3.07Å; L426-M430 WeakPolarHBondContact O-CG 3.46Å; L426-M430 PolarHBondContact O-N 3.09Å
427E82.6Confident65.3Low161 Ų161124.1 Ų124.175%0.75265%0.654SS**Hα-helixtrans-63.9-39.8176.7-80.2172.2146.200112.9S425 L429 M430 A431S425-E427 PolarHBondContact O-N 3.06Å; S425-E427 VanDerWaalsContact O-N 3.16Å; E427-L429 VanDerWaalsContact C-N 3.31Å; E427-L429 PolarHBondContact O-N 3.43Å; E427-M430 PolarHBondContact O-N 3.13Å; E427-A431 WeakPolarHBondContact O-CB 3.28Å; E427-A431 PolarHBondContact O-N 3.1Å
428S81.7Confident67.1Low42 Ų42124.8 Ų124.829%0.29465%0.649SS.*Hα-helixtrans-63.7-39.7175.3-175.60000111.3S425 A431 K432S425-S428 WeakPolarHBondContact O-CB 3.39Å; S425-S428 PolarHBondContact O-N 3.41Å; S425-S428 PolarHBondContact OG-N 2.96Å; S428-A431 PolarHBondContact O-N 3.14Å; S428-K432 PolarHBondContact O-N 3.33Å; S428-K432 VanDerWaalsContact O-N 3.08Å
429L71Confident69Low84 Ų84121.8 Ų121.844%0.4464%0.641SS.*Hα-helixtrans-66.6-41.8177.1-122.8149.3000111.8S425 L426 E427 K432 M433S425-L429 PolarHBondContact O-N 3.16Å; S425-L429 VanDerWaalsContact O-N 3.14Å; L426-L429 WeakPolarHBondContact O-CB 3.48Å; L426-L429 PolarHBondContact O-N 3.07Å; E427-L429 VanDerWaalsContact C-N 3.31Å; E427-L429 PolarHBondContact O-N 3.43Å; L429-K432 PolarHBondContact O-N 3.15Å; L429-M433 PolarHBondContact O-N 3.5Å; L429-M433 VanDerWaalsContact O-N 3.14Å
430M80Confident71.1Confident132 Ų132121.3 Ų121.365%0.6564%0.639SS**Hα-helixtrans-67.2-35.6175.1-70.2-16078.300113L426 E427 M433 K434L426-M430 WeakPolarHBondContact O-CG 3.46Å; L426-M430 PolarHBondContact O-N 3.09Å; E427-M430 PolarHBondContact O-N 3.13Å; M430-M433 PolarHBondContact O-N 3.49Å; M430-K434 PolarHBondContact O-N 3.36Å
431A85.7Confident72.7Confident57 Ų57123.2 Ų123.247%0.47164%0.64SS.*Hα-helixtrans-66.1-41.2175.400000111.9E427 S428 K434E427-A431 WeakPolarHBondContact O-CB 3.28Å; E427-A431 PolarHBondContact O-N 3.1Å; S428-A431 PolarHBondContact O-N 3.14Å; A431-K434 PolarHBondContact O-N 3.45Å
432K82.1Confident74.7Confident120 Ų120118.3 Ų118.352%0.52262%0.621SS.*Hα-helixtrans-63.4-39.7175.6-78.7175.6-179.1168.10112.4D424 S428 L429 K434 N435D424-K432 IonicContact OD2-NZ 3.51Å; D424-K432 PolarHBondContact OD2-NZ 3.26Å; S428-K432 PolarHBondContact O-N 3.33Å; S428-K432 VanDerWaalsContact O-N 3.08Å; L429-K432 PolarHBondContact O-N 3.15Å; K432-K434 PolarHBondContact O-N 3.24Å; K432-N435 PolarHBondContact O-N 3.43Å
433M76.1Confident76.4Confident137 Ų137122.4 Ų122.468%0.67564%0.638SS**Hα-helixtrans-68.4-17.2176.5-80.1-158.881.500114.2L429 M430 N435L429-M433 PolarHBondContact O-N 3.5Å; L429-M433 VanDerWaalsContact O-N 3.14Å; M430-M433 PolarHBondContact O-N 3.49Å; M433-N435 VanDerWaalsContact C-N 3.33Å
434K80.7Confident77.4Confident181 Ų181118.3 Ų118.379%0.78762%0.616SS**THydrogen-bonded Turntrans-82.9-12.1178.5-132.1178.8-175.5-179.40113.6M430 A431 K432M430-K434 PolarHBondContact O-N 3.36Å; A431-K434 PolarHBondContact O-N 3.45Å; K432-K434 PolarHBondContact O-N 3.24Å
435N75.1Confident77.9Confident154 Ų154123.2 Ų123.282%0.82464%0.64SS**  trans-105.31.9178.4-74-17.4000113.1K432 M433K432-N435 PolarHBondContact O-N 3.43Å; M433-N435 VanDerWaalsContact C-N 3.33Å
436L65.2Low77.7Confident201 Ų201128.1 Ų128.1100%1.05266%0.655SS**  trans-1040167.8-69.6168.1000108.3

Retrieved 436 of 436 residues in 156.5 ms (Link to these results)

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