A0A087YFW8_POEFO Loading...

AP-1 complex subunit gamma

AlphaFold DB , UniProt , Accession A0A087YFW8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 796 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
1M43.2Very low74Confident227 Ų22784.8 Ų84.8100%1.11847%0.472SS*.  0129.20-82.3174.4154.500107.9
2S46.7Very low75.6Confident108 Ų10890.5 Ų90.576%0.75548%0.481SS*.  trans-76.6141.4-179-48.10000111.1
3P55.5Low76.8Confident116 Ų11686.4 Ų86.475%0.75347%0.468SS*.  trans-63.3155.9175.527.2-34.5000111.6V5P3-V5 PolarHBondContact O-N 3.36Å; P3-V5 VanDerWaalsContact O-N 3.16Å
4S63.6Low77.9Confident42 Ų4281.1 Ų81.129%0.29444%0.439SS..  trans-67.1115.9179.4-164.50000111Q37 N49 K52S4-Q37 PolarHBondContact OG-OE1 2.73Å; S4-N49 PolarHBondContact OG-OD1 3.43Å; S4-K52 PolarHBondContact OG-NZ 3.26Å
5V75.3Confident78.9Confident43 Ų4389.4 Ų89.426%0.26146%0.461SS..  trans-54.8140-179.9173.80000111.6P3 E9 H48 K52P3-V5 PolarHBondContact O-N 3.36Å; P3-V5 VanDerWaalsContact O-N 3.16Å; V5-E9 HydrophobicContact CG1-CB 3.61Å; V5-E9 HydrophobicContact CG1-CG 3.59Å; V5-H48 PolarHBondContact O-NE2 2.89Å; V5-K52 WeakPolarHBondContact O-CE 3.39Å; V5-K52 PolarHBondContact O-NZ 3.41Å
6P83.6Confident79.9Confident63 Ų6388.8 Ų88.841%0.40947%0.467SS..  trans-58.1146.6174.315.7-26000113.5Q8 E9 M10 H48P6-Q8 PolarHBondContact O-N 3.47Å; P6-E9 VanDerWaalsContact CD-OE2 3.27Å; P6-E9 WeakPolarHBondContact CD-OE2 3.42Å; P6-E9 HydrophobicContact CG-CB 3.82Å; P6-E9 VanDerWaalsContact CG-OE2 3.3Å; P6-E9 WeakPolarHBondContact CG-OE2 3.31Å; P6-E9 WeakPolarHBondContact O-CB 3.35Å; P6-E9 PolarHBondContact O-N 2.63Å; P6-M10 PolarHBondContact O-N 3.43Å; P6-H48 VanDerWaalsContact CA-CE1 3.45Å; P6-H48 WeakPolarHBondContact CA-CE1 3.35Å; P6-H48 VanDerWaalsContact CA-NE2 3.31Å; P6-H48 WeakPolarHBondContact CA-NE2 3.44Å
7L86.8Confident80.7Confident48 Ų4884.9 Ų84.925%0.25145%0.451SS..Hα-helixtrans-53.5-42.8179.517362.3000111.6E9 M10 I11 H48 A51 K52L7-E9 PolarHBondContact O-N 2.97Å; L7-M10 HydrophobicContact CD1-CE 4.06Å; L7-M10 PolarHBondContact O-N 3.19Å; L7-I11 HydrophobicContact CD1-CD1 4Å; L7-I11 HydrophobicContact CD1-CG1 4.27Å; L7-I11 HydrophobicContact CG-CD1 3.86Å; L7-I11 VanDerWaalsContact O-CG1 3.24Å; L7-I11 WeakPolarHBondContact O-CG1 3.46Å; L7-I11 PolarHBondContact O-N 3.25Å; L7-H48 PolarHBondContact N-CE1 3.44Å; L7-H48 PolarHBondContact N-NE2 3.26Å; L7-A51 HydrophobicContact CD2-CB 4.2Å; L7-K52 HydrophobicContact CD1-CB 4.44Å; L7-K52 HydrophobicContact CD1-CG 4.1Å
8Q89.8Confident81.4Confident151 Ų15192.9 Ų92.971%0.70647%0.474SS*.Hα-helixtrans-61.2-31.7177.3-65.6179.3-11.300113.2P6 R12P6-Q8 PolarHBondContact O-N 3.47Å; Q8-R12 WeakPolarHBondContact O-CB 3.45Å; Q8-R12 PolarHBondContact O-N 3.48Å
9E88.6Confident82.2Confident93 Ų9392.2 Ų92.244%0.43547%0.474SS..Hα-helixtrans-82.5-35.1179.5-177.6172.5-167.200111.6V5 P6 L7 I11 R12 A13V5-E9 HydrophobicContact CG1-CB 3.61Å; V5-E9 HydrophobicContact CG1-CG 3.59Å; P6-E9 VanDerWaalsContact CD-OE2 3.27Å; P6-E9 WeakPolarHBondContact CD-OE2 3.42Å; P6-E9 HydrophobicContact CG-CB 3.82Å; P6-E9 VanDerWaalsContact CG-OE2 3.3Å; P6-E9 WeakPolarHBondContact CG-OE2 3.31Å; P6-E9 WeakPolarHBondContact O-CB 3.35Å; P6-E9 PolarHBondContact O-N 2.63Å; L7-E9 PolarHBondContact O-N 2.97Å; E9-I11 VanDerWaalsContact C-N 3.35Å; E9-R12 WeakPolarHBondContact O-CB 3.49Å; E9-R12 PolarHBondContact O-N 2.96Å; E9-A13 WeakPolarHBondContact O-CB 3.47Å; E9-A13 PolarHBondContact O-N 3.34Å
10M88.3Confident82.7Confident2 Ų293.3 Ų93.31%0.0148%0.477CS..Hα-helixtrans-59.2-46.2166.1-171.7-172.982.300111.3P6 L7 R12 A13 I14 E30 K52 Y55 V56P6-M10 PolarHBondContact O-N 3.43Å; L7-M10 HydrophobicContact CD1-CE 4.06Å; L7-M10 PolarHBondContact O-N 3.19Å; M10-R12 VanDerWaalsContact C-N 3.3Å; M10-R12 PolarHBondContact O-N 3.07Å; M10-A13 PolarHBondContact O-N 3.45Å; M10-I14 HydrophobicContact CE-CD1 4.09Å; M10-I14 HydrophobicContact CG-CD1 4Å; M10-I14 WeakPolarHBondContact O-CG1 3.4Å; M10-I14 PolarHBondContact O-N 2.92Å; M10-E30 HydrophobicContact CG-CG 3.99Å; M10-E30 HydrophobicContact SD-CB 4.13Å; M10-E30 HydrophobicContact SD-CG 4.18Å; M10-K52 HydrophobicContact CE-CB 3.85Å; M10-K52 HydrophobicContact CE-CG 4.07Å; M10-K52 HydrophobicContact SD-CB 3.74Å; M10-K52 HydrophobicContact SD-CD 3.77Å; M10-K52 HydrophobicContact SD-CG 3.7Å; M10-Y55 HydrophobicContact CE-CD1 3.67Å; M10-Y55 HydrophobicContact CE-CG 4.36Å; M10-V56 HydrophobicContact CE-CG2 4.08Å
11I93.1Very high83.2Confident40 Ų4093.6 Ų93.621%0.20549%0.486CS..Hα-helixtrans-60.7-40.2174.8-67.3167.6000110.6L7 E9 R15 Y55L7-I11 HydrophobicContact CD1-CD1 4Å; L7-I11 HydrophobicContact CD1-CG1 4.27Å; L7-I11 HydrophobicContact CG-CD1 3.86Å; L7-I11 VanDerWaalsContact O-CG1 3.24Å; L7-I11 WeakPolarHBondContact O-CG1 3.46Å; L7-I11 PolarHBondContact O-N 3.25Å; E9-I11 VanDerWaalsContact C-N 3.35Å; I11-R15 HydrophobicContact CG2-CG 4.36Å; I11-R15 VanDerWaalsContact O-CB 3.31Å; I11-R15 WeakPolarHBondContact O-CB 3.33Å; I11-R15 VanDerWaalsContact O-CG 3.26Å; I11-R15 WeakPolarHBondContact O-CG 3.47Å; I11-R15 PolarHBondContact O-N 3.35Å; I11-Y55 HydrophobicContact CD1-CD2 4.05Å; I11-Y55 HydrophobicContact CD1-CE2 4.06Å; I11-Y55 HydrophobicContact CD1-CG 4.36Å; I11-Y55 HydrophobicContact CG1-CD1 3.92Å; I11-Y55 HydrophobicContact CG1-CD2 4.1Å; I11-Y55 HydrophobicContact CG1-CE1 3.7Å; I11-Y55 HydrophobicContact CG1-CE2 3.92Å; I11-Y55 HydrophobicContact CG1-CG 4.11Å
12R93.2Very high85.6Confident153 Ų15387.1 Ų87.158%0.57745%0.453SS*.Hα-helixtrans-63.6-43176.1-169.1-176-62.11150.2111.9Q8 E9 M10 R15 S16Q8-R12 WeakPolarHBondContact O-CB 3.45Å; Q8-R12 PolarHBondContact O-N 3.48Å; E9-R12 WeakPolarHBondContact O-CB 3.49Å; E9-R12 PolarHBondContact O-N 2.96Å; M10-R12 VanDerWaalsContact C-N 3.3Å; M10-R12 PolarHBondContact O-N 3.07Å; R12-R15 PolarHBondContact O-N 3.23Å; R12-S16 WeakPolarHBondContact O-CB 3.33Å; R12-S16 PolarHBondContact O-N 3.28Å
13A90.4Very high87.8Confident37 Ų3784.1 Ų84.131%0.30643%0.428SS..Hα-helixtrans-63.8-46.7176.800000111.7E9 M10 R15 S16 A17 V26E9-A13 WeakPolarHBondContact O-CB 3.47Å; E9-A13 PolarHBondContact O-N 3.34Å; M10-A13 PolarHBondContact O-N 3.45Å; A13-R15 PolarHBondContact O-N 3.44Å; A13-S16 WeakPolarHBondContact CA-OG 3.4Å; A13-S16 PolarHBondContact O-N 3.2Å; A13-S16 VanDerWaalsContact O-N 3.08Å; A13-S16 PolarHBondContact O-OG 3.03Å; A13-A17 PolarHBondContact O-N 3.48Å; A13-V26 HydrophobicContact CB-CG1 4.16Å
14I92.5Very high89.6Confident12 Ų1283.9 Ų83.96%0.06241%0.412CS..Hα-helixtrans-59.8-45.4175.2-68.9168.3000110.6M10 S16 A17 E23 V26 I27 Y55 L59M10-I14 HydrophobicContact CE-CD1 4.09Å; M10-I14 HydrophobicContact CG-CD1 4Å; M10-I14 WeakPolarHBondContact O-CG1 3.4Å; M10-I14 PolarHBondContact O-N 2.92Å; I14-S16 PolarHBondContact O-N 3.35Å; I14-A17 WeakPolarHBondContact O-CB 3.47Å; I14-A17 PolarHBondContact O-N 3.48Å; I14-E23 HydrophobicContact CG2-CG 4.01Å; I14-V26 HydrophobicContact CG1-CG1 3.98Å; I14-I27 HydrophobicContact CD1-CD1 4.18Å; I14-I27 HydrophobicContact CD1-CG1 3.8Å; I14-I27 HydrophobicContact CG1-CD1 4.44Å; I14-I27 HydrophobicContact CG1-CG1 4.02Å; I14-Y55 HydrophobicContact CD1-CD1 4.21Å; I14-Y55 HydrophobicContact CD1-CE1 3.85Å; I14-L59 HydrophobicContact CD1-CD1 4.28Å; I14-L59 HydrophobicContact CG2-CD1 3.96Å
15R93.7Very high91Very high206 Ų20683.1 Ų83.178%0.77741%0.411SS*.Hα-helixtrans-67.9-14.7175.9-73.2-178.466.6-169.80.3114.8I11 R12 A13I11-R15 HydrophobicContact CG2-CG 4.36Å; I11-R15 VanDerWaalsContact O-CB 3.31Å; I11-R15 WeakPolarHBondContact O-CB 3.33Å; I11-R15 VanDerWaalsContact O-CG 3.26Å; I11-R15 WeakPolarHBondContact O-CG 3.47Å; I11-R15 PolarHBondContact O-N 3.35Å; R12-R15 PolarHBondContact O-N 3.23Å; A13-R15 PolarHBondContact O-N 3.44Å
16S94.3Very high91.8Very high80 Ų8082.1 Ų82.156%0.55941%0.405SS*.Hα-helixtrans-89.1-13.4175700000113.5R12 A13 I14 R18R12-S16 WeakPolarHBondContact O-CB 3.33Å; R12-S16 PolarHBondContact O-N 3.28Å; A13-S16 WeakPolarHBondContact CA-OG 3.4Å; A13-S16 PolarHBondContact O-N 3.2Å; A13-S16 VanDerWaalsContact O-N 3.08Å; A13-S16 PolarHBondContact O-OG 3.03Å; I14-S16 PolarHBondContact O-N 3.35Å; S16-R18 PolarHBondContact O-N 3.1Å
17A93.4Very high92.3Very high22 Ų2279.4 Ų79.418%0.18239%0.387CS..  trans-65.2130.8174.500000110.4A13 I14 E22 E23A13-A17 PolarHBondContact O-N 3.48Å; I14-A17 WeakPolarHBondContact O-CB 3.47Å; I14-A17 PolarHBondContact O-N 3.48Å; A17-E22 WeakPolarHBondContact CA-OE2 3.48Å; A17-E22 HydrophobicContact CB-CB 4.11Å; A17-E22 HydrophobicContact CB-CG 3.87Å; A17-E23 HydrophobicContact CB-CB 3.96Å
18R93.9Very high92.5Very high230 Ų23083.5 Ų83.587%0.86841%0.405SS*.SBendtrans-90.2-17.9-179.3-61.1-178.1-179.9-172.1-0.3112.8S16 E22S16-R18 PolarHBondContact O-N 3.1Å; R18-E22 PolarHBondContact N-OE2 3.17Å
19T95.6Very high92.6Very high79 Ų7984.3 Ų84.349%0.48540%0.401SS..SBendtrans-134.8151.7-178.668.20000110.8C21 E22 E23T19-C21 PolarHBondContact O-N 2.93Å; T19-E22 PolarHBondContact O-N 3.32Å; T19-E22 VanDerWaalsContact O-N 3.13Å; T19-E22 WeakPolarHBondContact OG1-CB 3.39Å; T19-E22 PolarHBondContact OG1-N 3.49Å; T19-E22 VanDerWaalsContact OG1-N 3.15Å; T19-E23 PolarHBondContact O-N 3.03Å
20Q92.7Very high92.7Very high113 Ų11381.4 Ų81.453%0.52839%0.388SS..Hα-helixtrans-62.1-23.7175.2-158.3-175.124.100112.4R24Q20-R24 WeakPolarHBondContact O-CB 3.5Å; Q20-R24 WeakPolarHBondContact O-CD 3.46Å; Q20-R24 WeakPolarHBondContact O-CG 3.47Å; Q20-R24 PolarHBondContact O-N 2.97Å
21C93.1Very high92.8Very high100 Ų10081.7 Ų81.768%0.67639%0.39SS*.Hα-helixtrans-71-44.4174.2-168.50000111.7T19 R24 G25T19-C21 PolarHBondContact O-N 2.93Å; C21-R24 PolarHBondContact O-N 3.43Å; C21-G25 PolarHBondContact O-N 2.78Å
22E92.9Very high92.7Very high91 Ų9182.1 Ų82.143%0.42540%0.399SS..Hα-helixtrans-63.9-42.9174.4-177178.7-160.800111.5A17 R18 T19 G25 V26A17-E22 WeakPolarHBondContact CA-OE2 3.48Å; A17-E22 HydrophobicContact CB-CB 4.11Å; A17-E22 HydrophobicContact CB-CG 3.87Å; R18-E22 PolarHBondContact N-OE2 3.17Å; T19-E22 PolarHBondContact O-N 3.32Å; T19-E22 VanDerWaalsContact O-N 3.13Å; T19-E22 WeakPolarHBondContact OG1-CB 3.39Å; T19-E22 PolarHBondContact OG1-N 3.49Å; T19-E22 VanDerWaalsContact OG1-N 3.15Å; E22-G25 PolarHBondContact O-N 2.96Å; E22-G25 VanDerWaalsContact O-N 3.13Å; E22-V26 WeakPolarHBondContact O-CG2 3.5Å; E22-V26 PolarHBondContact O-N 2.66Å
23E93.9Very high92.5Very high45 Ų4576.5 Ų76.521%0.2139%0.386CS..Hα-helixtrans-56.4-50.6173.7-168.5-15212200111.3I14 A17 T19 G25 V26 I27 Y61I14-E23 HydrophobicContact CG2-CG 4.01Å; A17-E23 HydrophobicContact CB-CB 3.96Å; T19-E23 PolarHBondContact O-N 3.03Å; E23-G25 VanDerWaalsContact C-N 3.3Å; E23-G25 PolarHBondContact O-N 2.82Å; E23-V26 PolarHBondContact O-N 2.85Å; E23-I27 HydrophobicContact CG-CD1 4.02Å; E23-I27 WeakPolarHBondContact O-CB 3.26Å; E23-I27 WeakPolarHBondContact O-CG1 3.26Å; E23-I27 PolarHBondContact O-N 3.35Å; E23-Y61 WeakPolarHBondContact OE1-CE2 3.3Å; E23-Y61 PolarHBondContact OE1-OH 2.9Å
24R94.2Very high92.5Very high111 Ų11174.8 Ų74.842%0.41937%0.371SS..Hα-helixtrans-56.4-42.3173.3-76.6166.6-173.21765.4112Q20 C21 I27 Q28 Y61Q20-R24 WeakPolarHBondContact O-CB 3.5Å; Q20-R24 WeakPolarHBondContact O-CD 3.46Å; Q20-R24 WeakPolarHBondContact O-CG 3.47Å; Q20-R24 PolarHBondContact O-N 2.97Å; C21-R24 PolarHBondContact O-N 3.43Å; R24-I27 PolarHBondContact O-N 2.91Å; R24-Q28 WeakPolarHBondContact O-CB 3.37Å; R24-Q28 VanDerWaalsContact O-CG 3.26Å; R24-Q28 WeakPolarHBondContact O-CG 3.29Å; R24-Q28 PolarHBondContact O-N 2.94Å; R24-Y61 HydrophobicContact CG-CE1 3.79Å; R24-Y61 WeakPolarHBondContact CG-OH 3.18Å
25G92.8Very high92.3Very high27 Ų2779.1 Ų79.128%0.27839%0.387SS..Hα-helixtrans-63.7-41177.600000113.4C21 E22 E23 R29C21-G25 PolarHBondContact O-N 2.78Å; E22-G25 PolarHBondContact O-N 2.96Å; E22-G25 VanDerWaalsContact O-N 3.13Å; E23-G25 VanDerWaalsContact C-N 3.3Å; E23-G25 PolarHBondContact O-N 2.82Å; G25-R29 WeakPolarHBondContact O-CB 3.31Å; G25-R29 PolarHBondContact O-N 2.98Å
26V91.4Very high92Very high22 Ų2271.7 Ų71.713%0.13337%0.37CS..Hα-helixtrans-64.7-47.3173.4173.40000110.6A13 I14 E22 E23 R29 E30A13-V26 HydrophobicContact CB-CG1 4.16Å; I14-V26 HydrophobicContact CG1-CG1 3.98Å; E22-V26 WeakPolarHBondContact O-CG2 3.5Å; E22-V26 PolarHBondContact O-N 2.66Å; E23-V26 PolarHBondContact O-N 2.85Å; V26-R29 WeakPolarHBondContact O-CB 3.39Å; V26-R29 PolarHBondContact O-N 3.42Å; V26-E30 PolarHBondContact O-N 2.98Å
27I93.3Very high91.6Very high5 Ų569.6 Ų69.63%0.02635%0.351CS..Hα-helixtrans-65.6-43.4-178.1-70.9172.2000111.5I14 E23 R24 R29 E30 C31 V56 L59 Y61I14-I27 HydrophobicContact CD1-CD1 4.18Å; I14-I27 HydrophobicContact CD1-CG1 3.8Å; I14-I27 HydrophobicContact CG1-CD1 4.44Å; I14-I27 HydrophobicContact CG1-CG1 4.02Å; E23-I27 HydrophobicContact CG-CD1 4.02Å; E23-I27 WeakPolarHBondContact O-CB 3.26Å; E23-I27 WeakPolarHBondContact O-CG1 3.26Å; E23-I27 PolarHBondContact O-N 3.35Å; R24-I27 PolarHBondContact O-N 2.91Å; I27-R29 VanDerWaalsContact C-N 3.3Å; I27-R29 PolarHBondContact O-N 3.11Å; I27-E30 PolarHBondContact O-N 2.81Å; I27-C31 VanDerWaalsContact O-CB 3.3Å; I27-C31 WeakPolarHBondContact O-CB 3.38Å; I27-C31 PolarHBondContact O-N 3.48Å; I27-C31 PolarHBondContact O-SG 3.11Å; I27-V56 HydrophobicContact CG2-CG1 3.71Å; I27-V56 HydrophobicContact CG2-CG2 4.2Å; I27-L59 HydrophobicContact CD1-CD1 3.91Å; I27-Y61 HydrophobicContact CD1-CD2 3.63Å; I27-Y61 HydrophobicContact CD1-CE2 3.23Å; I27-Y61 HydrophobicContact CD1-CG 4.48Å; I27-Y61 HydrophobicContact CG2-CD1 4.45Å; I27-Y61 HydrophobicContact CG2-CD2 4.2Å; I27-Y61 HydrophobicContact CG2-CG 4.1Å
28Q92.4Very high91.3Very high135 Ų13569.3 Ų69.363%0.63135%0.346SS*.Hα-helixtrans-60.6-39.8176-75.5177.43.900112.2R24 A32R24-Q28 WeakPolarHBondContact O-CB 3.37Å; R24-Q28 VanDerWaalsContact O-CG 3.26Å; R24-Q28 WeakPolarHBondContact O-CG 3.29Å; R24-Q28 PolarHBondContact O-N 2.94Å; Q28-A32 WeakPolarHBondContact O-CB 3.26Å; Q28-A32 PolarHBondContact O-N 3.44Å
29R91.3Very high90.8Very high167 Ų16768.7 Ų68.763%0.6334%0.343SS*.Hα-helixtrans-63.7-48.4176.5-169.3-173.7-59.8121.21.3111.7G25 V26 I27 A32 A33G25-R29 WeakPolarHBondContact O-CB 3.31Å; G25-R29 PolarHBondContact O-N 2.98Å; V26-R29 WeakPolarHBondContact O-CB 3.39Å; V26-R29 PolarHBondContact O-N 3.42Å; I27-R29 VanDerWaalsContact C-N 3.3Å; I27-R29 PolarHBondContact O-N 3.11Å; R29-A32 PolarHBondContact O-N 3.04Å; R29-A33 PolarHBondContact O-N 3.27Å; R29-A33 VanDerWaalsContact O-N 3.12Å
30E89.9Confident90.1Very high33 Ų3368.8 Ų68.815%0.15434%0.338CS..Hα-helixtrans-67.4-41.6177.5-74.6-68.7126.600112M10 V26 I27 A32 A33 I34 K52M10-E30 HydrophobicContact CG-CG 3.99Å; M10-E30 HydrophobicContact SD-CB 4.13Å; M10-E30 HydrophobicContact SD-CG 4.18Å; V26-E30 PolarHBondContact O-N 2.98Å; I27-E30 PolarHBondContact O-N 2.81Å; E30-A32 VanDerWaalsContact C-N 3.28Å; E30-A32 PolarHBondContact O-N 3.41Å; E30-A33 WeakPolarHBondContact O-CB 3.44Å; E30-A33 PolarHBondContact O-N 2.86Å; E30-A33 VanDerWaalsContact O-N 3.11Å; E30-I34 VanDerWaalsContact O-CG1 3.28Å; E30-I34 WeakPolarHBondContact O-CG1 3.46Å; E30-I34 PolarHBondContact O-N 3.22Å; E30-K52 IonicContact OE2-NZ 3.62Å; E30-K52 PolarHBondContact OE2-NZ 3.3Å
31C91.4Very high88.7Confident8 Ų869.7 Ų69.75%0.05435%0.352CS..Hα-helixtrans-61.4-35174.1-72.80000112.7I27 R35I27-C31 VanDerWaalsContact O-CB 3.3Å; I27-C31 WeakPolarHBondContact O-CB 3.38Å; I27-C31 PolarHBondContact O-N 3.48Å; I27-C31 PolarHBondContact O-SG 3.11Å; C31-R35 WeakPolarHBondContact O-CB 3.38Å; C31-R35 WeakPolarHBondContact O-CG 3.34Å; C31-R35 PolarHBondContact O-N 3.17Å
32A91Very high87.3Confident48 Ų4872 Ų7240%0.39736%0.357SS..Hα-helixtrans-65.1-42.8172.800000111.6Q28 R29 E30 R35 A36Q28-A32 WeakPolarHBondContact O-CB 3.26Å; Q28-A32 PolarHBondContact O-N 3.44Å; R29-A32 PolarHBondContact O-N 3.04Å; E30-A32 VanDerWaalsContact C-N 3.28Å; E30-A32 PolarHBondContact O-N 3.41Å; A32-R35 PolarHBondContact O-N 3.02Å; A32-A36 WeakPolarHBondContact O-CB 3.48Å; A32-A36 PolarHBondContact O-N 3.12Å
33A88.9Confident85.8Confident36 Ų3670.2 Ų70.230%0.29835%0.35SS..Hα-helixtrans-63.3-43.5174.500000112.4R29 E30 A36 Q37R29-A33 PolarHBondContact O-N 3.27Å; R29-A33 VanDerWaalsContact O-N 3.12Å; E30-A33 WeakPolarHBondContact O-CB 3.44Å; E30-A33 PolarHBondContact O-N 2.86Å; E30-A33 VanDerWaalsContact O-N 3.11Å; A33-A36 PolarHBondContact O-N 2.91Å; A33-Q37 WeakPolarHBondContact O-CG 3.34Å; A33-Q37 PolarHBondContact O-N 3.48Å
34I89.8Confident84.5Confident1 Ų171 Ų711%0.00537%0.371CS..Hα-helixtrans-60.6-48.1175.9-66.6164.9000110.4E30 A36 Q37 F38 N49 K52 F65E30-I34 VanDerWaalsContact O-CG1 3.28Å; E30-I34 WeakPolarHBondContact O-CG1 3.46Å; E30-I34 PolarHBondContact O-N 3.22Å; I34-A36 VanDerWaalsContact C-N 3.31Å; I34-A36 PolarHBondContact O-N 3.28Å; I34-Q37 PolarHBondContact O-N 3.29Å; I34-Q37 VanDerWaalsContact O-N 3.13Å; I34-F38 HydrophobicContact CG2-CD1 4.47Å; I34-F38 HydrophobicContact CG2-CD2 3.87Å; I34-F38 HydrophobicContact CG2-CE1 4.11Å; I34-F38 HydrophobicContact CG2-CE2 3.45Å; I34-F38 VanDerWaalsContact CG2-CE2 3.45Å; I34-F38 HydrophobicContact CG2-CG 4.36Å; I34-F38 HydrophobicContact CG2-CZ 3.59Å; I34-F38 WeakPolarHBondContact O-CG 3.06Å; I34-F38 PolarHBondContact O-N 3.24Å; I34-N49 HydrophobicContact CG2-CB 4.34Å; I34-K52 HydrophobicContact CD1-CB 3.72Å; I34-K52 HydrophobicContact CD1-CD 4.05Å; I34-K52 HydrophobicContact CG1-CD 4.28Å; I34-F65 HydrophobicContact CG2-CE2 3.96Å; I34-F65 HydrophobicContact CG2-CZ 4.48Å
35R89.3Confident83.5Confident103 Ų10367 Ų6739%0.38936%0.364SS..Hα-helixtrans-58.4-41.1175.7-77.4-174.2-65.2-99.72.7112.5C31 A32 Q37 R39 F65C31-R35 WeakPolarHBondContact O-CB 3.38Å; C31-R35 WeakPolarHBondContact O-CG 3.34Å; C31-R35 PolarHBondContact O-N 3.17Å; A32-R35 PolarHBondContact O-N 3.02Å; R35-Q37 VanDerWaalsContact C-N 3.34Å; R35-R39 WeakPolarHBondContact O-CG 3.43Å; R35-R39 PolarHBondContact O-N 2.98Å; R35-F65 HydrophobicContact CG-CD1 4.28Å; R35-F65 HydrophobicContact CG-CD2 3.55Å; R35-F65 HydrophobicContact CG-CE1 4.16Å; R35-F65 HydrophobicContact CG-CE2 3.39Å; R35-F65 HydrophobicContact CG-CG 3.99Å; R35-F65 HydrophobicContact CG-CZ 3.72Å
36A87.3Confident83Confident50 Ų5068.2 Ų68.241%0.41336%0.36SS..Hα-helixtrans-65.2-37.2176.700000112.2A32 A33 I34A32-A36 WeakPolarHBondContact O-CB 3.48Å; A32-A36 PolarHBondContact O-N 3.12Å; A33-A36 PolarHBondContact O-N 2.91Å; I34-A36 VanDerWaalsContact C-N 3.31Å; I34-A36 PolarHBondContact O-N 3.28Å
37Q84.9Confident82.6Confident36 Ų3668.4 Ų68.417%0.16836%0.363CS..Hα-helixtrans-78.6-30.2179.9-69.217820.600113.5S4 A33 I34 R35 R39 Q40 N49S4-Q37 PolarHBondContact OG-OE1 2.73Å; A33-Q37 WeakPolarHBondContact O-CG 3.34Å; A33-Q37 PolarHBondContact O-N 3.48Å; I34-Q37 PolarHBondContact O-N 3.29Å; I34-Q37 VanDerWaalsContact O-N 3.13Å; R35-Q37 VanDerWaalsContact C-N 3.34Å; Q37-R39 VanDerWaalsContact C-N 3.3Å; Q37-R39 PolarHBondContact O-N 2.89Å; Q37-Q40 WeakPolarHBondContact O-CB 3.26Å; Q37-Q40 PolarHBondContact O-N 2.89Å; Q37-N49 PolarHBondContact OE1-ND2 2.97Å; Q37-N49 PolarHBondContact OE1-OD1 2.9Å
38F86.8Confident82.3Confident16 Ų1670.9 Ų70.97%0.0737%0.374CS..Hα-helixtrans-69.1-25.2172.4-71.7-18.2000113.4I34 Q40 N49 L50 L53 F65 E69I34-F38 HydrophobicContact CG2-CD1 4.47Å; I34-F38 HydrophobicContact CG2-CD2 3.87Å; I34-F38 HydrophobicContact CG2-CE1 4.11Å; I34-F38 HydrophobicContact CG2-CE2 3.45Å; I34-F38 VanDerWaalsContact CG2-CE2 3.45Å; I34-F38 HydrophobicContact CG2-CG 4.36Å; I34-F38 HydrophobicContact CG2-CZ 3.59Å; I34-F38 WeakPolarHBondContact O-CG 3.06Å; I34-F38 PolarHBondContact O-N 3.24Å; F38-Q40 PolarHBondContact O-N 2.73Å; F38-N49 HydrophobicContact CD1-CB 4.41Å; F38-N49 HydrophobicContact CE1-CB 3.65Å; F38-N49 HydrophobicContact CZ-CB 4.22Å; F38-L50 HydrophobicContact CZ-CB 4.42Å; F38-L53 HydrophobicContact CE2-CD2 3.81Å; F38-L53 HydrophobicContact CZ-CD2 4.35Å; F38-F65 HydrophobicContact CD2-CD2 4.02Å; F38-F65 HydrophobicContact CD2-CE2 4.03Å; F38-F65 HydrophobicContact CE2-CD2 4.2Å; F38-F65 AromaticContact CE2-CE2 3.98Å; F38-F65 HydrophobicContact CE2-CE2 3.98Å; F38-E69 HydrophobicContact CB-CG 4.24Å; F38-E69 HydrophobicContact CD1-CG 3.94Å; F38-E69 HydrophobicContact CD2-CG 3.82Å; F38-E69 HydrophobicContact CE1-CB 4.47Å; F38-E69 HydrophobicContact CE1-CG 4.15Å; F38-E69 HydrophobicContact CE2-CB 4.44Å; F38-E69 HydrophobicContact CE2-CG 4.03Å; F38-E69 HydrophobicContact CG-CG 3.77Å; F38-E69 HydrophobicContact CZ-CB 4.33Å; F38-E69 HydrophobicContact CZ-CG 4.19Å
39R84.2Confident82.1Confident217 Ų21764.5 Ų64.582%0.81934%0.344SS*.THydrogen-bonded Turntrans-69.6-12.6171.4-70.3174.1-177.7-176.5-0.7113.5R35 Q37R35-R39 WeakPolarHBondContact O-CG 3.43Å; R35-R39 PolarHBondContact O-N 2.98Å; Q37-R39 VanDerWaalsContact C-N 3.3Å; Q37-R39 PolarHBondContact O-N 2.89Å
40Q81.1Confident82.1Confident80 Ų8056.5 Ų56.537%0.37431%0.314SS..SBendtrans-92.6131.4-177.1-64.1176.76.400111Q37 F38 D42 N43 R46Q37-Q40 WeakPolarHBondContact O-CB 3.26Å; Q37-Q40 PolarHBondContact O-N 2.89Å; F38-Q40 PolarHBondContact O-N 2.73Å; Q40-D42 VanDerWaalsContact C-N 3.34Å; Q40-D42 PolarHBondContact O-N 3.29Å; Q40-N43 WeakPolarHBondContact CB-ND2 3.46Å; Q40-N43 PolarHBondContact OE1-ND2 3.07Å; Q40-R46 PolarHBondContact O-NH2 3.43Å
41T63.6Low82.1Confident133 Ų13356.1 Ų56.182%0.81632%0.316SS*.SBendtrans-75.1-18.1-166.1-13.40000114.5R46T41-R46 PolarHBondContact O-NH2 3.02Å
42D63.5Low82.1Confident148 Ų14855.9 Ų55.979%0.79131%0.314SS*.  trans-147.4106.8175.3-154.2-3.4000111.9Q40Q40-D42 VanDerWaalsContact C-N 3.34Å; Q40-D42 PolarHBondContact O-N 3.29Å
43N60.3Low82.2Confident53 Ų5353.6 Ų53.628%0.28330%0.295SS..  trans-146.6111.3178.8-94.4-33.5000108.7Q40 G45 R46Q40-N43 WeakPolarHBondContact CB-ND2 3.46Å; Q40-N43 PolarHBondContact OE1-ND2 3.07Å; N43-G45 PolarHBondContact O-N 2.74Å; N43-R46 PolarHBondContact O-N 2.91Å; N43-R46 VanDerWaalsContact O-N 3.12Å
44G66.5Low82.4Confident63 Ų6352.3 Ų52.365%0.64928%0.284SS*.THydrogen-bonded Turntrans-59.8-4.8176.300000115.3
45G74.4Confident82.6Confident26 Ų2654.4 Ų54.427%0.26829%0.292SS..THydrogen-bonded Turntrans-91.65.9173.800000116.2N43 S47 H48 N49N43-G45 PolarHBondContact O-N 2.74Å; G45-S47 PolarHBondContact O-N 2.9Å; G45-H48 WeakPolarHBondContact O-CB 3.21Å; G45-H48 PolarHBondContact O-N 2.64Å; G45-H48 VanDerWaalsContact O-N 3.15Å; G45-N49 PolarHBondContact O-N 3.48Å; G45-N49 PolarHBondContact O-ND2 3.28Å
46R81.3Confident82.8Confident52 Ų5249.5 Ų49.520%0.19627%0.273CS..Hα-helixtrans-56.1-45.5-179.7-80.1-171.2-173.9134.77.8113.8Q40 T41 N43 H48 N49 L50 E69 M73Q40-R46 PolarHBondContact O-NH2 3.43Å; T41-R46 PolarHBondContact O-NH2 3.02Å; N43-R46 PolarHBondContact O-N 2.91Å; N43-R46 VanDerWaalsContact O-N 3.12Å; R46-H48 VanDerWaalsContact C-N 3.26Å; R46-H48 PolarHBondContact O-N 3.07Å; R46-N49 PolarHBondContact O-N 2.85Å; R46-L50 WeakPolarHBondContact O-CB 3.45Å; R46-L50 PolarHBondContact O-N 2.87Å; R46-E69 WeakPolarHBondContact CD-OE2 3.25Å; R46-E69 IonicContact NE-OE2 3.77Å; R46-M73 HydrophobicContact CB-CE 4.17Å; R46-M73 HydrophobicContact CB-SD 3.74Å
47S84Confident83.2Confident27 Ų2750.4 Ų50.419%0.18927%0.269CS..Hα-helixtrans-56.5-41.9176.247.30000112.2G45 A51 M73G45-S47 PolarHBondContact O-N 2.9Å; S47-A51 WeakPolarHBondContact O-CB 3.39Å; S47-A51 PolarHBondContact O-N 3.15Å; S47-M73 VanDerWaalsContact CB-CE 3.48Å; S47-M73 VanDerWaalsContact N-CE 3.32Å
48H87Confident83.6Confident56 Ų5654.6 Ų54.626%0.25929%0.29SS..Hα-helixtrans-68.7-44.1179.4-172.582.9000112.7V5 P6 L7 G45 R46 L50 A51 K52V5-H48 PolarHBondContact O-NE2 2.89Å; P6-H48 VanDerWaalsContact CA-CE1 3.45Å; P6-H48 WeakPolarHBondContact CA-CE1 3.35Å; P6-H48 VanDerWaalsContact CA-NE2 3.31Å; P6-H48 WeakPolarHBondContact CA-NE2 3.44Å; L7-H48 PolarHBondContact N-CE1 3.44Å; L7-H48 PolarHBondContact N-NE2 3.26Å; G45-H48 WeakPolarHBondContact O-CB 3.21Å; G45-H48 PolarHBondContact O-N 2.64Å; G45-H48 VanDerWaalsContact O-N 3.15Å; R46-H48 VanDerWaalsContact C-N 3.26Å; R46-H48 PolarHBondContact O-N 3.07Å; H48-L50 VanDerWaalsContact C-N 3.34Å; H48-A51 PolarHBondContact O-N 3.33Å; H48-K52 PolarHBondContact O-N 3.05Å
49N88.6Confident84Confident1 Ų157 Ų571%0.00530%0.303CS..Hα-helixtrans-65.5-37.2175.7-69.6-20.2000112.3S4 I34 Q37 F38 G45 R46 K52 L53S4-N49 PolarHBondContact OG-OD1 3.43Å; I34-N49 HydrophobicContact CG2-CB 4.34Å; Q37-N49 PolarHBondContact OE1-ND2 2.97Å; Q37-N49 PolarHBondContact OE1-OD1 2.9Å; F38-N49 HydrophobicContact CD1-CB 4.41Å; F38-N49 HydrophobicContact CE1-CB 3.65Å; F38-N49 HydrophobicContact CZ-CB 4.22Å; G45-N49 PolarHBondContact O-N 3.48Å; G45-N49 PolarHBondContact O-ND2 3.28Å; R46-N49 PolarHBondContact O-N 2.85Å; N49-K52 WeakPolarHBondContact O-CB 3.16Å; N49-K52 PolarHBondContact O-N 3.27Å; N49-L53 PolarHBondContact O-N 3.38Å
50L89.6Confident84.4Confident0 Ų049.9 Ų49.90%030%0.297CS..Hα-helixtrans-65.9-43.9172.8-175.556.8000110.7F38 R46 H48 K52 L53 L54 M73 V84 L92F38-L50 HydrophobicContact CZ-CB 4.42Å; R46-L50 WeakPolarHBondContact O-CB 3.45Å; R46-L50 PolarHBondContact O-N 2.87Å; H48-L50 VanDerWaalsContact C-N 3.34Å; L50-K52 VanDerWaalsContact C-N 3.32Å; L50-K52 PolarHBondContact O-N 2.82Å; L50-L53 WeakPolarHBondContact O-CA 3.33Å; L50-L53 WeakPolarHBondContact O-CB 3.46Å; L50-L53 PolarHBondContact O-N 3.3Å; L50-L54 WeakPolarHBondContact O-CG 3.25Å; L50-L54 PolarHBondContact O-N 3.16Å; L50-M73 HydrophobicContact CD2-CB 4.47Å; L50-M73 HydrophobicContact CD2-CG 4.25Å; L50-V84 HydrophobicContact CB-CG1 4.2Å; L50-V84 HydrophobicContact CD2-CG1 4.09Å; L50-V84 HydrophobicContact CG-CG1 4.09Å; L50-L92 HydrophobicContact CD1-CD1 4.43Å
51A91.1Very high85Confident24 Ų2447.9 Ų47.920%0.19829%0.287CS..Hα-helixtrans-60.4-37.4175.600000113.1L7 S47 H48 L54 Y55 V84L7-A51 HydrophobicContact CD2-CB 4.2Å; S47-A51 WeakPolarHBondContact O-CB 3.39Å; S47-A51 PolarHBondContact O-N 3.15Å; H48-A51 PolarHBondContact O-N 3.33Å; A51-L54 PolarHBondContact O-N 2.62Å; A51-Y55 PolarHBondContact O-N 3.44Å; A51-Y55 VanDerWaalsContact O-N 3.16Å; A51-V84 HydrophobicContact CB-CG1 4.31Å
52K91.1Very high86.4Confident3 Ų346 Ų461%0.01328%0.277CS..Hα-helixtrans-58.5-48.5168-71.3-178.7175.7-171.60111.9S4 V5 L7 M10 E30 I34 H48 N49 L50 L54 Y55 V56S4-K52 PolarHBondContact OG-NZ 3.26Å; V5-K52 WeakPolarHBondContact O-CE 3.39Å; V5-K52 PolarHBondContact O-NZ 3.41Å; L7-K52 HydrophobicContact CD1-CB 4.44Å; L7-K52 HydrophobicContact CD1-CG 4.1Å; M10-K52 HydrophobicContact CE-CB 3.85Å; M10-K52 HydrophobicContact CE-CG 4.07Å; M10-K52 HydrophobicContact SD-CB 3.74Å; M10-K52 HydrophobicContact SD-CD 3.77Å; M10-K52 HydrophobicContact SD-CG 3.7Å; E30-K52 IonicContact OE2-NZ 3.62Å; E30-K52 PolarHBondContact OE2-NZ 3.3Å; I34-K52 HydrophobicContact CD1-CB 3.72Å; I34-K52 HydrophobicContact CD1-CD 4.05Å; I34-K52 HydrophobicContact CG1-CD 4.28Å; H48-K52 PolarHBondContact O-N 3.05Å; N49-K52 WeakPolarHBondContact O-CB 3.16Å; N49-K52 PolarHBondContact O-N 3.27Å; L50-K52 VanDerWaalsContact C-N 3.32Å; L50-K52 PolarHBondContact O-N 2.82Å; K52-L54 VanDerWaalsContact C-N 3.31Å; K52-L54 PolarHBondContact O-N 2.89Å; K52-Y55 WeakPolarHBondContact O-CB 3.35Å; K52-Y55 PolarHBondContact O-N 3.39Å; K52-Y55 VanDerWaalsContact O-N 3.14Å; K52-V56 WeakPolarHBondContact O-CG2 3.44Å; K52-V56 PolarHBondContact O-N 3.1Å
53L93.1Very high87.7Confident0 Ų039.1 Ų39.10%024%0.241CC..Hα-helixtrans-64.6-35-177.8-173.857.6000112.4F38 N49 L50 V56 H57 A63 F65F38-L53 HydrophobicContact CE2-CD2 3.81Å; F38-L53 HydrophobicContact CZ-CD2 4.35Å; N49-L53 PolarHBondContact O-N 3.38Å; L50-L53 WeakPolarHBondContact O-CA 3.33Å; L50-L53 WeakPolarHBondContact O-CB 3.46Å; L50-L53 PolarHBondContact O-N 3.3Å; L53-V56 PolarHBondContact O-N 3.43Å; L53-H57 WeakPolarHBondContact O-CB 3.47Å; L53-H57 PolarHBondContact O-N 3.31Å; L53-A63 HydrophobicContact CD1-CB 3.69Å; L53-A63 HydrophobicContact CD2-CB 4.48Å; L53-A63 HydrophobicContact CG-CB 3.88Å; L53-F65 HydrophobicContact CD1-CE1 3.96Å; L53-F65 HydrophobicContact CD1-CE2 4.2Å; L53-F65 HydrophobicContact CD1-CZ 3.51Å; L53-F65 HydrophobicContact CD2-CD2 4.19Å; L53-F65 HydrophobicContact CD2-CE1 4.5Å; L53-F65 HydrophobicContact CD2-CE2 3.67Å; L53-F65 HydrophobicContact CD2-CZ 3.85Å; L53-F65 HydrophobicContact CG-CZ 4.35Å
54L93.6Very high89Confident10 Ų1042.4 Ų42.45%0.05225%0.254CS..Hα-helixtrans-65.7-37.8172.4-62.8178.3000112.3L50 A51 K52 H57 M58 V84 L87 M91 L92L50-L54 WeakPolarHBondContact O-CG 3.25Å; L50-L54 PolarHBondContact O-N 3.16Å; A51-L54 PolarHBondContact O-N 2.62Å; K52-L54 VanDerWaalsContact C-N 3.31Å; K52-L54 PolarHBondContact O-N 2.89Å; L54-H57 PolarHBondContact O-N 3.18Å; L54-M58 WeakPolarHBondContact O-CB 3.42Å; L54-M58 PolarHBondContact O-N 2.87Å; L54-V84 HydrophobicContact CD1-CG1 4.43Å; L54-L87 HydrophobicContact CD1-CD2 4.36Å; L54-L87 HydrophobicContact CD1-CG 4.2Å; L54-M91 HydrophobicContact CB-SD 4.38Å; L54-M91 HydrophobicContact CD2-CB 4.2Å; L54-M91 HydrophobicContact CD2-SD 4.35Å; L54-L92 HydrophobicContact CD2-CD1 3.63Å; L54-L92 HydrophobicContact CD2-CD2 4.18Å; L54-L92 HydrophobicContact CD2-CG 3.61Å
55Y94.1Very high90.1Very high45 Ų4541.8 Ų41.818%0.17623%0.233CC..Hα-helixtrans-65.6-42.1172.3-177.9-96.8000112M10 I11 I14 A51 K52 H57 M58 L59M10-Y55 HydrophobicContact CE-CD1 3.67Å; M10-Y55 HydrophobicContact CE-CG 4.36Å; I11-Y55 HydrophobicContact CD1-CD2 4.05Å; I11-Y55 HydrophobicContact CD1-CE2 4.06Å; I11-Y55 HydrophobicContact CD1-CG 4.36Å; I11-Y55 HydrophobicContact CG1-CD1 3.92Å; I11-Y55 HydrophobicContact CG1-CD2 4.1Å; I11-Y55 HydrophobicContact CG1-CE1 3.7Å; I11-Y55 HydrophobicContact CG1-CE2 3.92Å; I11-Y55 HydrophobicContact CG1-CG 4.11Å; I14-Y55 HydrophobicContact CD1-CD1 4.21Å; I14-Y55 HydrophobicContact CD1-CE1 3.85Å; A51-Y55 PolarHBondContact O-N 3.44Å; A51-Y55 VanDerWaalsContact O-N 3.16Å; K52-Y55 WeakPolarHBondContact O-CB 3.35Å; K52-Y55 PolarHBondContact O-N 3.39Å; K52-Y55 VanDerWaalsContact O-N 3.14Å; Y55-H57 VanDerWaalsContact C-N 3.31Å; Y55-H57 PolarHBondContact O-N 3.46Å; Y55-M58 HydrophobicContact CD2-CE 3.53Å; Y55-M58 HydrophobicContact CE2-CE 3.49Å; Y55-M58 VanDerWaalsContact CE2-CE 3.49Å; Y55-M58 WeakPolarHBondContact O-CB 3.41Å; Y55-M58 PolarHBondContact O-N 2.74Å; Y55-L59 HydrophobicContact CD1-CD1 4.13Å; Y55-L59 HydrophobicContact CE1-CD1 3.59Å; Y55-L59 HydrophobicContact CE1-CG 4.16Å; Y55-L59 PolarHBondContact O-N 3.11Å
56V93.6Very high90.7Very high0 Ų040.5 Ų40.50%022%0.221CC..Hα-helixtrans-60.7-40.6173.7168.50000111.4M10 I27 K52 L53 L59 Y61M10-V56 HydrophobicContact CE-CG2 4.08Å; I27-V56 HydrophobicContact CG2-CG1 3.71Å; I27-V56 HydrophobicContact CG2-CG2 4.2Å; K52-V56 WeakPolarHBondContact O-CG2 3.44Å; K52-V56 PolarHBondContact O-N 3.1Å; L53-V56 PolarHBondContact O-N 3.43Å; V56-L59 PolarHBondContact O-N 3.04Å; V56-Y61 HydrophobicContact CG1-CD2 4.46Å; V56-Y61 HydrophobicContact CG1-CG 4.35Å; V56-Y61 PolarHBondContact O-N 3.31Å
57H94.3Very high91.1Very high69 Ų6940 Ų4032%0.31922%0.22SC..Hα-helixtrans-64.3-41.4174.8-177.854000112.6L53 L54 Y55 L59 G60 A63 M91 L92L53-H57 WeakPolarHBondContact O-CB 3.47Å; L53-H57 PolarHBondContact O-N 3.31Å; L54-H57 PolarHBondContact O-N 3.18Å; Y55-H57 VanDerWaalsContact C-N 3.31Å; Y55-H57 PolarHBondContact O-N 3.46Å; H57-L59 PolarHBondContact O-N 3.41Å; H57-G60 WeakPolarHBondContact O-CA 3.39Å; H57-G60 PolarHBondContact O-N 2.96Å; H57-A63 HydrophobicContact CB-CB 3.75Å; H57-M91 PolarHBondContact NE2-O 2.91Å; H57-L92 HydrophobicContact CB-CD2 3.87Å; H57-L92 VanDerWaalsContact CG-CD2 3.49Å
58M94.6Very high91.2Very high124 Ų12443 Ų4361%0.61123%0.232SC*.Hα-helixtrans-62-25.4176.2-171.4-174.373.600113L54 Y55 G60 M91L54-M58 WeakPolarHBondContact O-CB 3.42Å; L54-M58 PolarHBondContact O-N 2.87Å; Y55-M58 HydrophobicContact CD2-CE 3.53Å; Y55-M58 HydrophobicContact CE2-CE 3.49Å; Y55-M58 VanDerWaalsContact CE2-CE 3.49Å; Y55-M58 WeakPolarHBondContact O-CB 3.41Å; Y55-M58 PolarHBondContact O-N 2.74Å; M58-G60 VanDerWaalsContact C-N 3.26Å; M58-M91 HydrophobicContact CB-CE 4.48Å
59L93.7Very high91.3Very high65 Ų6540.7 Ų40.734%0.3422%0.222SC..THydrogen-bonded Turntrans-811.1170.9-65.4177.3000113.7I14 I27 Y55 V56 H57 Y61I14-L59 HydrophobicContact CD1-CD1 4.28Å; I14-L59 HydrophobicContact CG2-CD1 3.96Å; I27-L59 HydrophobicContact CD1-CD1 3.91Å; Y55-L59 HydrophobicContact CD1-CD1 4.13Å; Y55-L59 HydrophobicContact CE1-CD1 3.59Å; Y55-L59 HydrophobicContact CE1-CG 4.16Å; Y55-L59 PolarHBondContact O-N 3.11Å; V56-L59 PolarHBondContact O-N 3.04Å; H57-L59 PolarHBondContact O-N 3.41Å; L59-Y61 HydrophobicContact CB-CD2 3.72Å; L59-Y61 HydrophobicContact CB-CE2 3.85Å
60G93.8Very high91.3Very high68 Ų6840.7 Ų40.770%0.70122%0.222SC*.THydrogen-bonded Turntrans91.28177.900000115.6H57 M58H57-G60 WeakPolarHBondContact O-CA 3.39Å; H57-G60 PolarHBondContact O-N 2.96Å; M58-G60 VanDerWaalsContact C-N 3.26Å
61Y94.1Very high91.3Very high38 Ų3841.2 Ų41.215%0.14923%0.225CC..  trans-88.8153.3-178.7-65.7-78.6000113.2E23 R24 I27 V56 L59 A63E23-Y61 WeakPolarHBondContact OE1-CE2 3.3Å; E23-Y61 PolarHBondContact OE1-OH 2.9Å; R24-Y61 HydrophobicContact CG-CE1 3.79Å; R24-Y61 WeakPolarHBondContact CG-OH 3.18Å; I27-Y61 HydrophobicContact CD1-CD2 3.63Å; I27-Y61 HydrophobicContact CD1-CE2 3.23Å; I27-Y61 HydrophobicContact CD1-CG 4.48Å; I27-Y61 HydrophobicContact CG2-CD1 4.45Å; I27-Y61 HydrophobicContact CG2-CD2 4.2Å; I27-Y61 HydrophobicContact CG2-CG 4.1Å; V56-Y61 HydrophobicContact CG1-CD2 4.46Å; V56-Y61 HydrophobicContact CG1-CG 4.35Å; V56-Y61 PolarHBondContact O-N 3.31Å; L59-Y61 HydrophobicContact CB-CD2 3.72Å; L59-Y61 HydrophobicContact CB-CE2 3.85Å; Y61-A63 PolarHBondContact O-N 3.39Å
62P92.4Very high91.2Very high94 Ų9446.1 Ų46.161%0.6124%0.238SC*.  trans-69.4123.9-175.926.5-35000113
63A91.3Very high91Very high4 Ų446.2 Ų46.23%0.03324%0.239CC..  trans-125.210.3-173.800000114.9L53 H57 Y61 F65 G66 L92L53-A63 HydrophobicContact CD1-CB 3.69Å; L53-A63 HydrophobicContact CD2-CB 4.48Å; L53-A63 HydrophobicContact CG-CB 3.88Å; H57-A63 HydrophobicContact CB-CB 3.75Å; Y61-A63 PolarHBondContact O-N 3.39Å; A63-F65 PolarHBondContact O-N 3.43Å; A63-G66 PolarHBondContact O-N 3.21Å; A63-L92 HydrophobicContact CB-CD2 3.69Å
64H86.9Confident90.9Very high122 Ų12246.2 Ų46.257%0.56524%0.239SC*.G310 helixtrans-48.4-38.4-175.357.6-97.2000114.1G66 Q67H64-G66 PolarHBondContact O-N 3.38Å; H64-Q67 WeakPolarHBondContact O-CB 3.34Å; H64-Q67 VanDerWaalsContact O-CD 3.31Å; H64-Q67 WeakPolarHBondContact O-CG 3.46Å; H64-Q67 PolarHBondContact O-N 2.96Å; H64-Q67 PolarHBondContact O-OE1 2.95Å
65F88.8Confident90.7Very high49 Ų4948.9 Ų48.922%0.21526%0.263CS..G310 helixtrans-65.1-10.4-178.469.1-93.1000114.4I34 R35 F38 L53 A63I34-F65 HydrophobicContact CG2-CE2 3.96Å; I34-F65 HydrophobicContact CG2-CZ 4.48Å; R35-F65 HydrophobicContact CG-CD1 4.28Å; R35-F65 HydrophobicContact CG-CD2 3.55Å; R35-F65 HydrophobicContact CG-CE1 4.16Å; R35-F65 HydrophobicContact CG-CE2 3.39Å; R35-F65 HydrophobicContact CG-CG 3.99Å; R35-F65 HydrophobicContact CG-CZ 3.72Å; F38-F65 HydrophobicContact CD2-CD2 4.02Å; F38-F65 HydrophobicContact CD2-CE2 4.03Å; F38-F65 HydrophobicContact CE2-CD2 4.2Å; F38-F65 AromaticContact CE2-CE2 3.98Å; F38-F65 HydrophobicContact CE2-CE2 3.98Å; L53-F65 HydrophobicContact CD1-CE1 3.96Å; L53-F65 HydrophobicContact CD1-CE2 4.2Å; L53-F65 HydrophobicContact CD1-CZ 3.51Å; L53-F65 HydrophobicContact CD2-CD2 4.19Å; L53-F65 HydrophobicContact CD2-CE1 4.5Å; L53-F65 HydrophobicContact CD2-CE2 3.67Å; L53-F65 HydrophobicContact CD2-CZ 3.85Å; L53-F65 HydrophobicContact CG-CZ 4.35Å; A63-F65 PolarHBondContact O-N 3.43Å
66G88.1Confident90.5Very high0 Ų047.5 Ų47.50%026%0.259CS..G310 helixtrans-85.8-12173.900000115.2A63 H64 M68 E69 C70A63-G66 PolarHBondContact O-N 3.21Å; H64-G66 PolarHBondContact O-N 3.38Å; G66-M68 PolarHBondContact O-N 2.96Å; G66-E69 WeakPolarHBondContact O-CA 3.37Å; G66-E69 WeakPolarHBondContact O-CB 3.45Å; G66-E69 PolarHBondContact O-N 3.37Å; G66-C70 PolarHBondContact O-N 3.01Å
67Q88.6Confident90.2Very high41 Ų4153.3 Ų53.319%0.19230%0.297CS..Hα-helixtrans-59.5-47-171.3-72.1166.3-20.800112.7H64 E69 C70 V71 L92 L93 Q97H64-Q67 WeakPolarHBondContact O-CB 3.34Å; H64-Q67 VanDerWaalsContact O-CD 3.31Å; H64-Q67 WeakPolarHBondContact O-CG 3.46Å; H64-Q67 PolarHBondContact O-N 2.96Å; H64-Q67 PolarHBondContact O-OE1 2.95Å; Q67-E69 VanDerWaalsContact C-N 3.28Å; Q67-E69 PolarHBondContact O-N 3.34Å; Q67-C70 VanDerWaalsContact O-CB 3.29Å; Q67-C70 WeakPolarHBondContact O-CB 3.35Å; Q67-C70 PolarHBondContact O-N 2.98Å; Q67-C70 VanDerWaalsContact O-N 3.12Å; Q67-V71 PolarHBondContact O-N 3.47Å; Q67-L92 HydrophobicContact CG-CB 4.07Å; Q67-L92 PolarHBondContact NE2-O 2.98Å; Q67-L93 HydrophobicContact CB-CD2 3.71Å; Q67-L93 HydrophobicContact CG-CD2 3.77Å; Q67-Q97 VanDerWaalsContact NE2-CD 3.3Å
68M87.6Confident90Very high89 Ų8956.9 Ų56.944%0.43831%0.308SS..Hα-helixtrans-68.5-26.9177.4-168.660.5-162.500112.8G66 V71 R72 L102G66-M68 PolarHBondContact O-N 2.96Å; M68-V71 HydrophobicContact CE-CB 4.43Å; M68-V71 HydrophobicContact CE-CG1 4.35Å; M68-V71 PolarHBondContact O-N 3.09Å; M68-V71 HydrophobicContact SD-CB 4.18Å; M68-V71 HydrophobicContact SD-CG2 4.3Å; M68-R72 HydrophobicContact CE-CG 4.47Å; M68-R72 WeakPolarHBondContact O-CG 3.33Å; M68-R72 PolarHBondContact O-N 3.2Å; M68-L102 HydrophobicContact CE-CD1 4.39Å; M68-L102 HydrophobicContact SD-CD1 4.24Å
69E87.8Confident89.8Confident9 Ų955.5 Ų55.54%0.04230%0.296CS..Hα-helixtrans-69.7-34.5171.8-65.1-58.6127.900111.2F38 R46 G66 Q67 V71 R72 M73F38-E69 HydrophobicContact CB-CG 4.24Å; F38-E69 HydrophobicContact CD1-CG 3.94Å; F38-E69 HydrophobicContact CD2-CG 3.82Å; F38-E69 HydrophobicContact CE1-CB 4.47Å; F38-E69 HydrophobicContact CE1-CG 4.15Å; F38-E69 HydrophobicContact CE2-CB 4.44Å; F38-E69 HydrophobicContact CE2-CG 4.03Å; F38-E69 HydrophobicContact CG-CG 3.77Å; F38-E69 HydrophobicContact CZ-CB 4.33Å; F38-E69 HydrophobicContact CZ-CG 4.19Å; R46-E69 WeakPolarHBondContact CD-OE2 3.25Å; R46-E69 IonicContact NE-OE2 3.77Å; G66-E69 WeakPolarHBondContact O-CA 3.37Å; G66-E69 WeakPolarHBondContact O-CB 3.45Å; G66-E69 PolarHBondContact O-N 3.37Å; Q67-E69 VanDerWaalsContact C-N 3.28Å; Q67-E69 PolarHBondContact O-N 3.34Å; E69-V71 VanDerWaalsContact C-N 3.34Å; E69-V71 PolarHBondContact O-N 3.07Å; E69-R72 PolarHBondContact O-N 3.45Å; E69-R72 WeakPolarHBondContact OE1-CD 3.41Å; E69-R72 IonicContact OE1-CZ 2.66Å; E69-R72 IonicContact OE1-NE 2.68Å; E69-R72 IonicContact OE1-NH1 2.65Å; E69-R72 PolarHBondContact OE1-NH1 2.84Å; E69-M73 VanDerWaalsContact O-CB 3.31Å; E69-M73 WeakPolarHBondContact O-CB 3.49Å; E69-M73 WeakPolarHBondContact O-CG 3.44Å; E69-M73 PolarHBondContact O-N 3.5Å
70C89.8Confident89.6Confident0 Ų055.9 Ų55.90%031%0.305CS..Hα-helixtrans-56.5-47.8170-60.40000111.6G66 Q67 R72 M73 I74 G88G66-C70 PolarHBondContact O-N 3.01Å; Q67-C70 VanDerWaalsContact O-CB 3.29Å; Q67-C70 WeakPolarHBondContact O-CB 3.35Å; Q67-C70 PolarHBondContact O-N 2.98Å; Q67-C70 VanDerWaalsContact O-N 3.12Å; C70-R72 PolarHBondContact O-N 3.08Å; C70-M73 PolarHBondContact O-N 2.77Å; C70-I74 WeakPolarHBondContact O-CG1 3.11Å; C70-I74 PolarHBondContact O-N 3.32Å; C70-G88 VanDerWaalsContact SG-C 3.55Å
71V89Confident89.4Confident11 Ų1153.9 Ų53.97%0.06728%0.277CS..Hα-helixtrans-59.3-48178.2-174.90000111Q67 M68 E69 M73 I74 A75 L102 I103Q67-V71 PolarHBondContact O-N 3.47Å; M68-V71 HydrophobicContact CE-CB 4.43Å; M68-V71 HydrophobicContact CE-CG1 4.35Å; M68-V71 PolarHBondContact O-N 3.09Å; M68-V71 HydrophobicContact SD-CB 4.18Å; M68-V71 HydrophobicContact SD-CG2 4.3Å; E69-V71 VanDerWaalsContact C-N 3.34Å; E69-V71 PolarHBondContact O-N 3.07Å; V71-M73 VanDerWaalsContact C-N 3.31Å; V71-M73 PolarHBondContact O-N 3.1Å; V71-I74 PolarHBondContact O-N 3.01Å; V71-A75 PolarHBondContact O-N 3.15Å; V71-A75 VanDerWaalsContact O-N 3.09Å; V71-L102 HydrophobicContact CG1-CB 3.94Å; V71-I103 HydrophobicContact CG1-CG1 4.32Å; V71-I103 HydrophobicContact CG2-CD1 4.09Å; V71-I103 HydrophobicContact CG2-CG1 4Å
72R88.1Confident89.3Confident127 Ų12752.7 Ų52.748%0.47927%0.273SS..Hα-helixtrans-59.9-39.2176.8-71.7168.2174.1-175.6-4.1112.6M68 E69 C70 A75 S76M68-R72 HydrophobicContact CE-CG 4.47Å; M68-R72 WeakPolarHBondContact O-CG 3.33Å; M68-R72 PolarHBondContact O-N 3.2Å; E69-R72 PolarHBondContact O-N 3.45Å; E69-R72 WeakPolarHBondContact OE1-CD 3.41Å; E69-R72 IonicContact OE1-CZ 2.66Å; E69-R72 IonicContact OE1-NE 2.68Å; E69-R72 IonicContact OE1-NH1 2.65Å; E69-R72 PolarHBondContact OE1-NH1 2.84Å; C70-R72 PolarHBondContact O-N 3.08Å; R72-A75 PolarHBondContact O-N 2.97Å; R72-S76 PolarHBondContact O-N 3.3Å
73M88.3Confident89.4Confident6 Ų655.7 Ų55.73%0.0327%0.272CS..Hα-helixtrans-75.5-29.1-179.1-66.4-66.4-72.600112.6R46 S47 L50 E69 C70 V71 S76 E81 K82R46-M73 HydrophobicContact CB-CE 4.17Å; R46-M73 HydrophobicContact CB-SD 3.74Å; S47-M73 VanDerWaalsContact CB-CE 3.48Å; S47-M73 VanDerWaalsContact N-CE 3.32Å; L50-M73 HydrophobicContact CD2-CB 4.47Å; L50-M73 HydrophobicContact CD2-CG 4.25Å; E69-M73 VanDerWaalsContact O-CB 3.31Å; E69-M73 WeakPolarHBondContact O-CB 3.49Å; E69-M73 WeakPolarHBondContact O-CG 3.44Å; E69-M73 PolarHBondContact O-N 3.5Å; C70-M73 PolarHBondContact O-N 2.77Å; V71-M73 VanDerWaalsContact C-N 3.31Å; V71-M73 PolarHBondContact O-N 3.1Å; M73-S76 WeakPolarHBondContact O-CB 3.38Å; M73-S76 PolarHBondContact O-N 2.87Å; M73-E81 HydrophobicContact CE-CB 3.52Å; M73-E81 HydrophobicContact CE-CG 3.64Å; M73-E81 CarbonylContact O-C 3.6Å; M73-E81 HydrophobicContact SD-CB 4.38Å; M73-K82 WeakPolarHBondContact O-CA 3.44Å; M73-K82 PolarHBondContact O-N 2.87Å
74I91.1Very high89.4Confident0 Ų057 Ų570%028%0.279CS..Hα-helixtrans-66.6-38.8168.1-71.4166.3000110.7C70 V71 S76 K82 Y86 A89 I103C70-I74 WeakPolarHBondContact O-CG1 3.11Å; C70-I74 PolarHBondContact O-N 3.32Å; V71-I74 PolarHBondContact O-N 3.01Å; I74-S76 PolarHBondContact O-N 2.87Å; I74-K82 PolarHBondContact O-NZ 3.46Å; I74-Y86 HydrophobicContact CD1-CD1 3.73Å; I74-Y86 HydrophobicContact CD1-CE1 3.96Å; I74-Y86 HydrophobicContact CD1-CG 4.3Å; I74-Y86 HydrophobicContact CG1-CD1 3.85Å; I74-Y86 HydrophobicContact CG1-CD2 4.27Å; I74-Y86 HydrophobicContact CG1-CE1 4.03Å; I74-Y86 HydrophobicContact CG1-CE2 4.43Å; I74-Y86 HydrophobicContact CG1-CG 3.99Å; I74-Y86 HydrophobicContact CG2-CD1 4.44Å; I74-Y86 HydrophobicContact CG2-CE1 3.77Å; I74-Y86 HydrophobicContact CG2-CE2 4.04Å; I74-A89 HydrophobicContact CD1-CB 3.79Å; I74-I103 HydrophobicContact CD1-CD1 3.71Å; I74-I103 HydrophobicContact CD1-CG1 4.14Å; I74-I103 HydrophobicContact CD1-CG2 4.21Å
75A89.3Confident89.7Confident66 Ų6651.1 Ų51.155%0.54525%0.252SS..Hα-helixtrans-70.4-13.6176.600000114.4V71 R72V71-A75 PolarHBondContact O-N 3.15Å; V71-A75 VanDerWaalsContact O-N 3.09Å; R72-A75 PolarHBondContact O-N 2.97Å
76S89.1Confident89.9Confident15 Ų1548.8 Ų48.811%0.10524%0.242CC..SBendtrans-64.4143.8178177.80000112.3R72 M73 I74 R78 E81 K82R72-S76 PolarHBondContact O-N 3.3Å; M73-S76 WeakPolarHBondContact O-CB 3.38Å; M73-S76 PolarHBondContact O-N 2.87Å; I74-S76 PolarHBondContact O-N 2.87Å; S76-R78 PolarHBondContact O-N 2.72Å; S76-R78 PolarHBondContact OG-N 2.62Å; S76-E81 WeakPolarHBondContact CB-OE2 3.34Å; S76-E81 PolarHBondContact OG-OE2 3.37Å; S76-K82 WeakPolarHBondContact O-CE 3.27Å; S76-K82 WeakPolarHBondContact O-CG 3.39Å; S76-K82 PolarHBondContact O-NZ 3.02Å
77P87.6Confident90.2Very high123 Ų12352.9 Ų52.980%0.79926%0.263SS*.SBendtrans-72.4-14172.730.4-36.3000113.7
78R89.7Confident90.3Very high144 Ų14450.9 Ų50.954%0.54325%0.254SS..  trans-83.8123.7-174.7-70.9167.8172.2177.52.7111.4S76 S80 E81 K82S76-R78 PolarHBondContact O-N 2.72Å; S76-R78 PolarHBondContact OG-N 2.62Å; R78-S80 VanDerWaalsContact C-N 3.29Å; R78-S80 PolarHBondContact O-N 3.43Å; R78-E81 HydrophobicContact CB-CB 4.07Å; R78-E81 HydrophobicContact CB-CG 3.96Å; R78-E81 WeakPolarHBondContact CD-OE1 3.26Å; R78-E81 IonicContact CZ-OE1 3.56Å; R78-E81 IonicContact NE-OE1 3.93Å; R78-E81 IonicContact NH1-OE1 2.69Å; R78-E81 PolarHBondContact NH1-OE1 3.2Å; R78-E81 PolarHBondContact O-N 3.49Å; R78-K82 PolarHBondContact O-N 3.47Å
79Y90.4Very high90.5Very high94 Ų9446.7 Ų46.737%0.36923%0.233SC..Hα-helixtrans-56-38.6179.3174.6-105.9000114E81 R83 V118 L121Y79-E81 VanDerWaalsContact C-N 3.31Å; Y79-E81 PolarHBondContact O-N 2.92Å; Y79-R83 VanDerWaalsContact O-CB 3.24Å; Y79-R83 WeakPolarHBondContact O-CB 3.29Å; Y79-R83 PolarHBondContact O-N 3.08Å; Y79-V118 HydrophobicContact CD2-CG2 4.09Å; Y79-L121 HydrophobicContact CD2-CD1 4.03Å; Y79-L121 HydrophobicContact CE2-CD1 3.52Å; Y79-L121 HydrophobicContact CE2-CG 4.34Å
80S89.4Confident90.7Very high74 Ų7449 Ų4952%0.51725%0.245SC..Hα-helixtrans-62.7-37.4176.447.40000112.6R78 V84R78-S80 VanDerWaalsContact C-N 3.29Å; R78-S80 PolarHBondContact O-N 3.43Å; S80-V84 PolarHBondContact O-N 3.01Å
81E90.1Very high90.7Very high26 Ų2652.3 Ų52.312%0.12126%0.261CS..Hα-helixtrans-76-47.6179.5-65.2179.2-168.100110.6M73 S76 R78 Y79 R83 V84 G85M73-E81 HydrophobicContact CE-CB 3.52Å; M73-E81 HydrophobicContact CE-CG 3.64Å; M73-E81 CarbonylContact O-C 3.6Å; M73-E81 HydrophobicContact SD-CB 4.38Å; S76-E81 WeakPolarHBondContact CB-OE2 3.34Å; S76-E81 PolarHBondContact OG-OE2 3.37Å; R78-E81 HydrophobicContact CB-CB 4.07Å; R78-E81 HydrophobicContact CB-CG 3.96Å; R78-E81 WeakPolarHBondContact CD-OE1 3.26Å; R78-E81 IonicContact CZ-OE1 3.56Å; R78-E81 IonicContact NE-OE1 3.93Å; R78-E81 IonicContact NH1-OE1 2.69Å; R78-E81 PolarHBondContact NH1-OE1 3.2Å; R78-E81 PolarHBondContact O-N 3.49Å; Y79-E81 VanDerWaalsContact C-N 3.31Å; Y79-E81 PolarHBondContact O-N 2.92Å; E81-R83 VanDerWaalsContact C-N 3.3Å; E81-R83 PolarHBondContact O-N 3.19Å; E81-V84 PolarHBondContact O-N 3.29Å; E81-G85 PolarHBondContact O-N 3.44Å
82K92.1Very high90.7Very high13 Ų1352.3 Ų52.36%0.05726%0.26CS..Hα-helixtrans-53.3-44.7170.9-72.8-169.6176.6-70.40112.1M73 I74 S76 R78 V84 G85 Y86 D110 V118M73-K82 WeakPolarHBondContact O-CA 3.44Å; M73-K82 PolarHBondContact O-N 2.87Å; I74-K82 PolarHBondContact O-NZ 3.46Å; S76-K82 WeakPolarHBondContact O-CE 3.27Å; S76-K82 WeakPolarHBondContact O-CG 3.39Å; S76-K82 PolarHBondContact O-NZ 3.02Å; R78-K82 PolarHBondContact O-N 3.47Å; K82-V84 PolarHBondContact O-N 3.45Å; K82-G85 PolarHBondContact O-N 2.72Å; K82-Y86 HydrophobicContact CB-CD2 4.24Å; K82-Y86 HydrophobicContact CB-CE2 4.39Å; K82-Y86 WeakPolarHBondContact O-CB 3.36Å; K82-Y86 VanDerWaalsContact O-CD2 3.26Å; K82-Y86 WeakPolarHBondContact O-CD2 3.38Å; K82-Y86 PolarHBondContact O-N 3.32Å; K82-D110 VanDerWaalsContact CE-OD1 3.22Å; K82-D110 WeakPolarHBondContact CE-OD1 3.48Å; K82-D110 IonicContact NZ-OD1 2.63Å; K82-D110 PolarHBondContact NZ-OD1 3.23Å; K82-D110 IonicContact NZ-OD2 3.03Å; K82-D110 PolarHBondContact NZ-OD2 3.31Å; K82-V118 HydrophobicContact CD-CG1 3.93Å; K82-V118 HydrophobicContact CD-CG2 4.35Å
83R93.5Very high90.7Very high157 Ų15746.9 Ų46.959%0.59224%0.241SC*.Hα-helixtrans-60.1-42.4-179.1-178.7179.8175.2-163.5-1.3112.5Y79 E81 L87 L121Y79-R83 VanDerWaalsContact O-CB 3.24Å; Y79-R83 WeakPolarHBondContact O-CB 3.29Å; Y79-R83 PolarHBondContact O-N 3.08Å; E81-R83 VanDerWaalsContact C-N 3.3Å; E81-R83 PolarHBondContact O-N 3.19Å; R83-L87 WeakPolarHBondContact O-CB 3.23Å; R83-L87 PolarHBondContact O-N 2.87Å; R83-L121 HydrophobicContact CB-CD1 4.06Å; R83-L121 HydrophobicContact CG-CD2 4.33Å
84V92.4Very high90.3Very high30 Ų3050 Ų5018%0.18226%0.258CS..Hα-helixtrans-76.5-36.2176.9-176.40000111.1L50 A51 L54 S80 E81 K82 L87 G88L50-V84 HydrophobicContact CB-CG1 4.2Å; L50-V84 HydrophobicContact CD2-CG1 4.09Å; L50-V84 HydrophobicContact CG-CG1 4.09Å; A51-V84 HydrophobicContact CB-CG1 4.31Å; L54-V84 HydrophobicContact CD1-CG1 4.43Å; S80-V84 PolarHBondContact O-N 3.01Å; E81-V84 PolarHBondContact O-N 3.29Å; K82-V84 PolarHBondContact O-N 3.45Å; V84-L87 PolarHBondContact O-N 3.42Å; V84-G88 PolarHBondContact O-N 2.89Å
85G93.1Very high89.7Confident0 Ų055.2 Ų55.20%028%0.282CS..Hα-helixtrans-59.3-49.8174.400000112.6E81 K82 G88 A89E81-G85 PolarHBondContact O-N 3.44Å; K82-G85 PolarHBondContact O-N 2.72Å; G85-G88 CarbonylContact O-C 3.56Å; G85-G88 PolarHBondContact O-N 3.11Å; G85-A89 PolarHBondContact O-N 2.95Å
86Y93.6Very high88.9Confident0 Ų061.3 Ų61.30%030%0.296CS..Hα-helixtrans-65.6-39.9177-82-58000113.2I74 K82 G88 A89 M90 I107 D110 L121 T125I74-Y86 HydrophobicContact CD1-CD1 3.73Å; I74-Y86 HydrophobicContact CD1-CE1 3.96Å; I74-Y86 HydrophobicContact CD1-CG 4.3Å; I74-Y86 HydrophobicContact CG1-CD1 3.85Å; I74-Y86 HydrophobicContact CG1-CD2 4.27Å; I74-Y86 HydrophobicContact CG1-CE1 4.03Å; I74-Y86 HydrophobicContact CG1-CE2 4.43Å; I74-Y86 HydrophobicContact CG1-CG 3.99Å; I74-Y86 HydrophobicContact CG2-CD1 4.44Å; I74-Y86 HydrophobicContact CG2-CE1 3.77Å; I74-Y86 HydrophobicContact CG2-CE2 4.04Å; K82-Y86 HydrophobicContact CB-CD2 4.24Å; K82-Y86 HydrophobicContact CB-CE2 4.39Å; K82-Y86 WeakPolarHBondContact O-CB 3.36Å; K82-Y86 VanDerWaalsContact O-CD2 3.26Å; K82-Y86 WeakPolarHBondContact O-CD2 3.38Å; K82-Y86 PolarHBondContact O-N 3.32Å; Y86-G88 VanDerWaalsContact C-N 3.31Å; Y86-G88 PolarHBondContact O-N 2.77Å; Y86-A89 PolarHBondContact O-N 3.04Å; Y86-M90 WeakPolarHBondContact O-CG 3.48Å; Y86-M90 PolarHBondContact O-N 3.48Å; Y86-M90 VanDerWaalsContact O-N 3.11Å; Y86-I107 HydrophobicContact CE1-CD1 4.33Å; Y86-I107 HydrophobicContact CE1-CG1 3.75Å; Y86-D110 VanDerWaalsContact CE2-OD2 3.25Å; Y86-D110 WeakPolarHBondContact CE2-OD2 3.4Å; Y86-D110 WeakPolarHBondContact OH-CB 3.38Å; Y86-D110 PolarHBondContact OH-OD2 3.04Å; Y86-L121 HydrophobicContact CD2-CB 3.66Å; Y86-L121 HydrophobicContact CD2-CD1 4.23Å; Y86-L121 HydrophobicContact CE2-CB 4.14Å; Y86-L121 HydrophobicContact CG-CB 4.2Å; Y86-T125 HydrophobicContact CD1-CG2 3.85Å; Y86-T125 WeakPolarHBondContact CD1-OG1 3.38Å; Y86-T125 HydrophobicContact CE1-CG2 4.38Å
87L93.6Very high88.1Confident85 Ų8562.5 Ų62.545%0.44530%0.3SS..Hα-helixtrans-61-42.9171.4178.762.2000111.3L54 R83 V84 M90 M91L54-L87 HydrophobicContact CD1-CD2 4.36Å; L54-L87 HydrophobicContact CD1-CG 4.2Å; R83-L87 WeakPolarHBondContact O-CB 3.23Å; R83-L87 PolarHBondContact O-N 2.87Å; V84-L87 PolarHBondContact O-N 3.42Å; L87-M90 HydrophobicContact CD1-CE 4.4Å; L87-M90 PolarHBondContact O-N 2.86Å; L87-M91 HydrophobicContact CD1-SD 4.18Å; L87-M91 HydrophobicContact CG-SD 4.27Å; L87-M91 WeakPolarHBondContact O-CG 3.35Å; L87-M91 PolarHBondContact O-N 3.15Å
88G91.6Very high87.3Confident0 Ų063.1 Ų63.10%030%0.297CS..Hα-helixtrans-67.9-34.9178.400000113.4C70 V84 G85 Y86 M91 L92C70-G88 VanDerWaalsContact SG-C 3.55Å; V84-G88 PolarHBondContact O-N 2.89Å; G85-G88 CarbonylContact O-C 3.56Å; G85-G88 PolarHBondContact O-N 3.11Å; Y86-G88 VanDerWaalsContact C-N 3.31Å; Y86-G88 PolarHBondContact O-N 2.77Å; G88-M91 PolarHBondContact O-N 3.12Å; G88-L92 WeakPolarHBondContact O-CB 3.49Å; G88-L92 PolarHBondContact O-N 3.34Å
89A91.1Very high86.3Confident0 Ų057.2 Ų57.20%028%0.279CS..Hα-helixtrans-60.2-50.9171.400000111.4I74 G85 Y86 M91 L93 I103 T125 M129I74-A89 HydrophobicContact CD1-CB 3.79Å; G85-A89 PolarHBondContact O-N 2.95Å; Y86-A89 PolarHBondContact O-N 3.04Å; A89-M91 PolarHBondContact O-N 2.85Å; A89-L93 HydrophobicContact CB-CD1 3.74Å; A89-L93 WeakPolarHBondContact O-CB 3.5Å; A89-L93 PolarHBondContact O-N 2.7Å; A89-L93 VanDerWaalsContact O-N 3.14Å; A89-I103 HydrophobicContact CB-CD1 3.92Å; A89-T125 HydrophobicContact CB-CG2 4.4Å; A89-M129 VanDerWaalsContact C-SD 3.56Å; A89-M129 HydrophobicContact CB-SD 3.98Å
90M91.6Very high85.2Confident58 Ų5853.1 Ų53.129%0.28626%0.264SS..Hα-helixtrans-62.1-15.4178-67.8-175.6-69.100114.7Y86 L87 T125 C128 M129Y86-M90 WeakPolarHBondContact O-CG 3.48Å; Y86-M90 PolarHBondContact O-N 3.48Å; Y86-M90 VanDerWaalsContact O-N 3.11Å; L87-M90 HydrophobicContact CD1-CE 4.4Å; L87-M90 PolarHBondContact O-N 2.86Å; M90-T125 HydrophobicContact CG-CG2 3.94Å; M90-C128 HydrophobicContact CG-CB 4.21Å; M90-C128 HydrophobicContact SD-CB 3.83Å; M90-M129 HydrophobicContact CG-CG 4.41Å
91M90.8Very high84.5Confident69 Ų6953.4 Ų53.434%0.3426%0.259SS..Hα-helixtrans-106.8-38.1-180-68.4-177.771.100114.1L54 H57 M58 L87 G88 A89L54-M91 HydrophobicContact CB-SD 4.38Å; L54-M91 HydrophobicContact CD2-CB 4.2Å; L54-M91 HydrophobicContact CD2-SD 4.35Å; H57-M91 PolarHBondContact NE2-O 2.91Å; M58-M91 HydrophobicContact CB-CE 4.48Å; L87-M91 HydrophobicContact CD1-SD 4.18Å; L87-M91 HydrophobicContact CG-SD 4.27Å; L87-M91 WeakPolarHBondContact O-CG 3.35Å; L87-M91 PolarHBondContact O-N 3.15Å; G88-M91 PolarHBondContact O-N 3.12Å; A89-M91 PolarHBondContact O-N 2.85Å
92L89.3Confident84Confident11 Ų1156.8 Ų56.86%0.05828%0.278CS..Hα-helixtrans-103.8-16.6-170.2-63-178.5000114.4L50 L54 H57 A63 Q67 G88L50-L92 HydrophobicContact CD1-CD1 4.43Å; L54-L92 HydrophobicContact CD2-CD1 3.63Å; L54-L92 HydrophobicContact CD2-CD2 4.18Å; L54-L92 HydrophobicContact CD2-CG 3.61Å; H57-L92 HydrophobicContact CB-CD2 3.87Å; H57-L92 VanDerWaalsContact CG-CD2 3.49Å; A63-L92 HydrophobicContact CB-CD2 3.69Å; Q67-L92 HydrophobicContact CG-CB 4.07Å; Q67-L92 PolarHBondContact NE2-O 2.98Å; G88-L92 WeakPolarHBondContact O-CB 3.49Å; G88-L92 PolarHBondContact O-N 3.34Å
93L86.5Confident83.8Confident13 Ų1356.2 Ų56.27%0.06828%0.275CS..  trans-103.8135.1-177.9-57.5175.6000109.9Q67 A89 A99 I103 M129Q67-L93 HydrophobicContact CB-CD2 3.71Å; Q67-L93 HydrophobicContact CG-CD2 3.77Å; A89-L93 HydrophobicContact CB-CD1 3.74Å; A89-L93 WeakPolarHBondContact O-CB 3.5Å; A89-L93 PolarHBondContact O-N 2.7Å; A89-L93 VanDerWaalsContact O-N 3.14Å; L93-A99 HydrophobicContact CD2-CB 4.04Å; L93-I103 HydrophobicContact CD1-CD1 3.17Å; L93-M129 HydrophobicContact CB-CE 3.72Å; L93-M129 HydrophobicContact CB-SD 4.49Å
94D80.5Confident83.5Confident72 Ų7249.3 Ų49.339%0.38525%0.251SS..  trans-114.3172.1173.661.138.7000110.3K96 Q97D94-K96 PolarHBondContact O-N 2.74Å; D94-K96 WeakPolarHBondContact OD1-CA 3.44Å; D94-K96 WeakPolarHBondContact OD1-CB 3.29Å; D94-K96 PolarHBondContact OD1-N 2.81Å; D94-Q97 PolarHBondContact O-N 3.45Å; D94-Q97 VanDerWaalsContact OD1-CG 3.23Å; D94-Q97 WeakPolarHBondContact OD1-CG 3.29Å; D94-Q97 PolarHBondContact OD1-N 3.22Å; D94-Q97 PolarHBondContact OD1-NE2 2.96Å; D94-Q97 PolarHBondContact OD2-NE2 3.46Å
95E77.7Confident83.3Confident110 Ų11052.9 Ų52.951%0.51427%0.269SS..THydrogen-bonded Turntrans-71.3-3.2176.7-68.5173.5-142.800113.4K167E95-K167 WeakPolarHBondContact OE1-CE 3.36Å; E95-K167 IonicContact OE1-NZ 3.79Å; E95-K167 PolarHBondContact OE1-NZ 3.24Å; E95-K167 IonicContact OE2-NZ 3.6Å; E95-K167 PolarHBondContact OE2-NZ 2.73Å
96K74Confident83.2Confident193 Ų19354 Ų5484%0.83928%0.276SS*.THydrogen-bonded Turntrans-97.8-8-179.6-59.1-178178.7-179.50113D94D94-K96 PolarHBondContact O-N 2.74Å; D94-K96 WeakPolarHBondContact OD1-CA 3.44Å; D94-K96 WeakPolarHBondContact OD1-CB 3.29Å; D94-K96 PolarHBondContact OD1-N 2.81Å
97Q72.8Confident83.2Confident40 Ų4054 Ų5419%0.18728%0.276CS..  trans-100.5126.9-178.5-70.9161.235.600111.5Q67 D94 A99 S100Q67-Q97 VanDerWaalsContact NE2-CD 3.3Å; D94-Q97 PolarHBondContact O-N 3.45Å; D94-Q97 VanDerWaalsContact OD1-CG 3.23Å; D94-Q97 WeakPolarHBondContact OD1-CG 3.29Å; D94-Q97 PolarHBondContact OD1-N 3.22Å; D94-Q97 PolarHBondContact OD1-NE2 2.96Å; D94-Q97 PolarHBondContact OD2-NE2 3.46Å; Q97-A99 PolarHBondContact O-N 3.38Å; Q97-S100 WeakPolarHBondContact O-CB 3.3Å; Q97-S100 PolarHBondContact O-N 2.92Å; Q97-S100 PolarHBondContact O-OG 2.82Å
98D68.9Low83.1Confident136 Ų13654.4 Ų54.473%0.72728%0.275SS*.THydrogen-bonded Turntrans-56.1-22.9175.9-51.6-34.8000113.3S100 L101D98-S100 PolarHBondContact O-N 3.2Å; D98-S100 VanDerWaalsContact O-N 3.15Å; D98-L101 PolarHBondContact O-N 3.27Å; D98-L101 VanDerWaalsContact O-N 3.14Å
99A69.8Low83.2Confident21 Ų2158.6 Ų58.617%0.17430%0.297CS..Hα-helixtrans-60-21175.600000113.7L93 Q97 L102L93-A99 HydrophobicContact CD2-CB 4.04Å; Q97-A99 PolarHBondContact O-N 3.38Å; A99-L102 PolarHBondContact O-N 3.22Å
100S67.9Low83.3Confident8 Ų859 Ų596%0.05630%0.299CS..Hα-helixtrans-62.3-39173.858.70000112.5Q97 D98 L102 I103Q97-S100 WeakPolarHBondContact O-CB 3.3Å; Q97-S100 PolarHBondContact O-N 2.92Å; Q97-S100 PolarHBondContact O-OG 2.82Å; D98-S100 PolarHBondContact O-N 3.2Å; D98-S100 VanDerWaalsContact O-N 3.15Å; S100-L102 VanDerWaalsContact C-N 3.33Å; S100-L102 PolarHBondContact O-N 3.12Å; S100-I103 WeakPolarHBondContact O-CB 3.1Å; S100-I103 PolarHBondContact O-N 3.29Å; S100-I103 VanDerWaalsContact O-N 3.11Å
101L74.3Confident83.4Confident80 Ų8056.2 Ų56.242%0.41929%0.285SS..Hα-helixtrans-65.9-33.8179.9-61.5176.4000112.9D98 I103 T104 E133D98-L101 PolarHBondContact O-N 3.27Å; D98-L101 VanDerWaalsContact O-N 3.14Å; L101-I103 PolarHBondContact O-N 3.34Å; L101-T104 WeakPolarHBondContact O-CB 3.26Å; L101-T104 PolarHBondContact O-N 3.5Å; L101-T104 PolarHBondContact O-OG1 3.27Å; L101-E133 WeakPolarHBondContact CD2-OE2 2.94Å
102L79.9Confident83.5Confident96 Ų9656.5 Ų56.550%0.50329%0.294SS..Hα-helixtrans-64.1-25.4175.9-60.5177.4000112.3M68 V71 A99 S100M68-L102 HydrophobicContact CE-CD1 4.39Å; M68-L102 HydrophobicContact SD-CD1 4.24Å; V71-L102 HydrophobicContact CG1-CB 3.94Å; A99-L102 PolarHBondContact O-N 3.22Å; S100-L102 VanDerWaalsContact C-N 3.33Å; S100-L102 PolarHBondContact O-N 3.12Å
103I86.4Confident83.7Confident1 Ų159.2 Ų59.21%0.00531%0.306CS..Hα-helixtrans-81.9-26.5178.7-66.3177.6000111.5V71 I74 A89 L93 S100 L101 N105 S106 I107 M134V71-I103 HydrophobicContact CG1-CG1 4.32Å; V71-I103 HydrophobicContact CG2-CD1 4.09Å; V71-I103 HydrophobicContact CG2-CG1 4Å; I74-I103 HydrophobicContact CD1-CD1 3.71Å; I74-I103 HydrophobicContact CD1-CG1 4.14Å; I74-I103 HydrophobicContact CD1-CG2 4.21Å; A89-I103 HydrophobicContact CB-CD1 3.92Å; L93-I103 HydrophobicContact CD1-CD1 3.17Å; S100-I103 WeakPolarHBondContact O-CB 3.1Å; S100-I103 PolarHBondContact O-N 3.29Å; S100-I103 VanDerWaalsContact O-N 3.11Å; L101-I103 PolarHBondContact O-N 3.34Å; I103-N105 VanDerWaalsContact C-N 3.33Å; I103-N105 PolarHBondContact O-N 2.83Å; I103-S106 CarbonylContact O-C 3.52Å; I103-S106 WeakPolarHBondContact O-CA 3.49Å; I103-S106 WeakPolarHBondContact O-CB 3.24Å; I103-S106 PolarHBondContact O-N 2.97Å; I103-I107 HydrophobicContact CG2-CD1 3.53Å; I103-I107 HydrophobicContact CG2-CG1 3.69Å; I103-I107 PolarHBondContact O-N 2.88Å; I103-M134 HydrophobicContact CG2-CE 4.48Å
104T88.1Confident83.9Confident13 Ų1364.1 Ų64.18%0.0834%0.342CS..Hα-helixtrans-52.2-48.5-179.3-45.80000112.3L101 I107 K108 M134 D137 L138L101-T104 WeakPolarHBondContact O-CB 3.26Å; L101-T104 PolarHBondContact O-N 3.5Å; L101-T104 PolarHBondContact O-OG1 3.27Å; T104-I107 PolarHBondContact O-N 3.28Å; T104-K108 PolarHBondContact O-N 3.13Å; T104-M134 HydrophobicContact CG2-CG 4.27Å; T104-M134 WeakPolarHBondContact OG1-CG 3.37Å; T104-D137 HydrophobicContact CG2-CB 4.17Å; T104-L138 HydrophobicContact CG2-CD1 4.18Å; T104-L138 HydrophobicContact CG2-CD2 4.48Å; T104-L138 HydrophobicContact CG2-CG 4.26Å
105N88.6Confident84.5Confident105 Ų10563.5 Ų63.556%0.56134%0.339SS*.Hα-helixtrans-64.6-42.7177.1-174.113000111.8I103 I107 K108 N109I103-N105 VanDerWaalsContact C-N 3.33Å; I103-N105 PolarHBondContact O-N 2.83Å; N105-I107 PolarHBondContact O-N 3.01Å; N105-K108 WeakPolarHBondContact O-CB 3.43Å; N105-K108 PolarHBondContact O-N 2.91Å; N105-N109 PolarHBondContact O-N 3.04Å; N105-N109 PolarHBondContact O-ND2 3.38Å; N105-N109 PolarHBondContact OD1-ND2 2.95Å; N105-N109 VanDerWaalsContact OD1-ND2 3.12Å
106S90.6Very high85.3Confident22 Ų2261.2 Ų61.215%0.15433%0.328CS..Hα-helixtrans-64.1-40.7178.3-54.30000112.4I103 N109 D110I103-S106 CarbonylContact O-C 3.52Å; I103-S106 WeakPolarHBondContact O-CA 3.49Å; I103-S106 WeakPolarHBondContact O-CB 3.24Å; I103-S106 PolarHBondContact O-N 2.97Å; S106-N109 PolarHBondContact O-N 3.45Å; S106-D110 WeakPolarHBondContact O-CB 3.44Å; S106-D110 PolarHBondContact O-N 2.7Å
107I93.2Very high86.3Confident0 Ų057.2 Ų57.20%031%0.308CS..Hα-helixtrans-62.7-46172-76.2177.2000110.3Y86 I103 T104 N105 N109 D110 L111 A122 T125 M134 L138Y86-I107 HydrophobicContact CE1-CD1 4.33Å; Y86-I107 HydrophobicContact CE1-CG1 3.75Å; I103-I107 HydrophobicContact CG2-CD1 3.53Å; I103-I107 HydrophobicContact CG2-CG1 3.69Å; I103-I107 PolarHBondContact O-N 2.88Å; T104-I107 PolarHBondContact O-N 3.28Å; N105-I107 PolarHBondContact O-N 3.01Å; I107-N109 VanDerWaalsContact C-N 3.29Å; I107-N109 PolarHBondContact O-N 2.98Å; I107-D110 CarbonylContact O-C 3.58Å; I107-D110 PolarHBondContact O-N 2.9Å; I107-D110 VanDerWaalsContact O-N 3.08Å; I107-L111 HydrophobicContact CG2-CD1 3.76Å; I107-L111 HydrophobicContact CG2-CG 4.01Å; I107-L111 WeakPolarHBondContact O-CB 3.42Å; I107-L111 VanDerWaalsContact O-CG 3.25Å; I107-L111 WeakPolarHBondContact O-CG 3.4Å; I107-L111 PolarHBondContact O-N 3.44Å; I107-A122 HydrophobicContact CG2-CB 4.24Å; I107-T125 HydrophobicContact CD1-CG2 4.23Å; I107-M134 HydrophobicContact CD1-CE 3.72Å; I107-L138 HydrophobicContact CB-CD1 4.29Å; I107-L138 HydrophobicContact CG2-CD1 3.55Å
108K92.3Very high87.3Confident95 Ų9555.5 Ų55.541%0.41330%0.301SS..Hα-helixtrans-55.8-44.5178.6-165.5169.9-176.7166.80112.1T104 N105 L111 S112 L138T104-K108 PolarHBondContact O-N 3.13Å; N105-K108 WeakPolarHBondContact O-CB 3.43Å; N105-K108 PolarHBondContact O-N 2.91Å; K108-L111 PolarHBondContact O-N 3.49Å; K108-S112 PolarHBondContact O-N 2.89Å; K108-L138 HydrophobicContact CB-CD2 3.71Å; K108-L138 HydrophobicContact CD-CD2 4.31Å; K108-L138 HydrophobicContact CG-CD2 3.97Å
109N92.7Very high88.5Confident88 Ų8850.4 Ų50.447%0.47127%0.272SS..Hα-helixtrans-66.2-41175.6-64.3-39.6000111.9N105 S106 I107 L111 S112 H113N105-N109 PolarHBondContact O-N 3.04Å; N105-N109 PolarHBondContact O-ND2 3.38Å; N105-N109 PolarHBondContact OD1-ND2 2.95Å; N105-N109 VanDerWaalsContact OD1-ND2 3.12Å; S106-N109 PolarHBondContact O-N 3.45Å; I107-N109 VanDerWaalsContact C-N 3.29Å; I107-N109 PolarHBondContact O-N 2.98Å; N109-L111 PolarHBondContact O-N 3.29Å; N109-S112 PolarHBondContact O-N 2.91Å; N109-S112 PolarHBondContact O-OG 2.7Å; N109-H113 PolarHBondContact O-N 3.48Å; N109-H113 VanDerWaalsContact O-N 3.16Å
110D94.2Very high89.7Confident7 Ų749.6 Ų49.64%0.03727%0.266CS..Hα-helixtrans-72.9-23.6178.9-78.5-13.8000114K82 Y86 S106 I107 S112 H113 V118 Q119 A122K82-D110 VanDerWaalsContact CE-OD1 3.22Å; K82-D110 WeakPolarHBondContact CE-OD1 3.48Å; K82-D110 IonicContact NZ-OD1 2.63Å; K82-D110 PolarHBondContact NZ-OD1 3.23Å; K82-D110 IonicContact NZ-OD2 3.03Å; K82-D110 PolarHBondContact NZ-OD2 3.31Å; Y86-D110 VanDerWaalsContact CE2-OD2 3.25Å; Y86-D110 WeakPolarHBondContact CE2-OD2 3.4Å; Y86-D110 WeakPolarHBondContact OH-CB 3.38Å; Y86-D110 PolarHBondContact OH-OD2 3.04Å; S106-D110 WeakPolarHBondContact O-CB 3.44Å; S106-D110 PolarHBondContact O-N 2.7Å; I107-D110 CarbonylContact O-C 3.58Å; I107-D110 PolarHBondContact O-N 2.9Å; I107-D110 VanDerWaalsContact O-N 3.08Å; D110-S112 VanDerWaalsContact C-N 3.33Å; D110-H113 WeakPolarHBondContact O-CB 3.23Å; D110-H113 PolarHBondContact O-N 2.78Å; D110-V118 HydrophobicContact CB-CG1 3.69Å; D110-V118 VanDerWaalsContact CG-CG1 3.47Å; D110-V118 WeakPolarHBondContact OD1-CG1 3.13Å; D110-Q119 WeakPolarHBondContact O-CA 3.49Å; D110-Q119 WeakPolarHBondContact O-CG 3.22Å; D110-Q119 PolarHBondContact O-N 3.27Å; D110-A122 HydrophobicContact CB-CB 3.85Å
111L94.1Very high91Very high0 Ų050.5 Ų50.50%027%0.27CS..Hα-helixtrans-73-21.2171-70.5174.4000113.1I107 K108 N109 A122 L123 L138 E141 I142 R144 L145I107-L111 HydrophobicContact CG2-CD1 3.76Å; I107-L111 HydrophobicContact CG2-CG 4.01Å; I107-L111 WeakPolarHBondContact O-CB 3.42Å; I107-L111 VanDerWaalsContact O-CG 3.25Å; I107-L111 WeakPolarHBondContact O-CG 3.4Å; I107-L111 PolarHBondContact O-N 3.44Å; K108-L111 PolarHBondContact O-N 3.49Å; N109-L111 PolarHBondContact O-N 3.29Å; L111-A122 HydrophobicContact CD2-CB 3.87Å; L111-A122 HydrophobicContact CG-CB 4.08Å; L111-L123 HydrophobicContact CD2-CD2 3.61Å; L111-L123 HydrophobicContact CD2-CG 3.67Å; L111-L138 HydrophobicContact CD1-CD2 4.34Å; L111-E141 HydrophobicContact CD1-CB 4.16Å; L111-I142 HydrophobicContact CD1-CD1 4.05Å; L111-I142 HydrophobicContact CD2-CD1 4.25Å; L111-R144 PolarHBondContact O-NH2 2.85Å; L111-L145 HydrophobicContact CB-CD1 4.19Å; L111-L145 HydrophobicContact CD2-CD1 3.73Å; L111-L145 HydrophobicContact CG-CD1 4.47Å
112S92.7Very high91.9Very high75 Ų7546.7 Ų46.752%0.52425%0.25SC..Hα-helixtrans-97.1-9.7173.269.30000113.4K108 N109 D110K108-S112 PolarHBondContact O-N 2.89Å; N109-S112 PolarHBondContact O-N 2.91Å; N109-S112 PolarHBondContact O-OG 2.7Å; D110-S112 VanDerWaalsContact C-N 3.33Å
113H93.5Very high92.7Very high68 Ų6842.2 Ų42.232%0.31523%0.226SC..  trans-60.2142.4-177.2-170.9-85.5000113.3N109 D110 N115 V118 Q119N109-H113 PolarHBondContact O-N 3.48Å; N109-H113 VanDerWaalsContact O-N 3.16Å; D110-H113 WeakPolarHBondContact O-CB 3.23Å; D110-H113 PolarHBondContact O-N 2.78Å; H113-N115 WeakPolarHBondContact ND1-CB 3.38Å; H113-N115 PolarHBondContact ND1-N 2.84Å; H113-N115 PolarHBondContact O-N 3.15Å; H113-V118 HydrophobicContact CB-CB 4.36Å; H113-V118 HydrophobicContact CB-CG1 3.97Å; H113-Q119 WeakPolarHBondContact O-CG 3.23Å; H113-Q119 PolarHBondContact O-NE2 3.35Å
114S90.8Very high93.1Very high117 Ų11744.3 Ų44.382%0.81824%0.24SC*.SBendtrans-63.1-34.8-174.858.50000114.4Q116S114-Q116 PolarHBondContact O-N 3.29Å
115N93.2Very high93.3Very high59 Ų5943.7 Ų43.732%0.31624%0.237SC..  trans-78.8115.4179.2-174.6-11.9000112.3H113 Y117 V118 Q119H113-N115 WeakPolarHBondContact ND1-CB 3.38Å; H113-N115 PolarHBondContact ND1-N 2.84Å; H113-N115 PolarHBondContact O-N 3.15Å; N115-Y117 PolarHBondContact O-N 2.88Å; N115-Y117 VanDerWaalsContact O-N 3.1Å; N115-Y117 WeakPolarHBondContact OD1-CB 3.37Å; N115-Y117 VanDerWaalsContact OD1-CD2 3.23Å; N115-Y117 WeakPolarHBondContact OD1-CD2 3.46Å; N115-Y117 PolarHBondContact OD1-N 3.1Å; N115-V118 HydrophobicContact CB-CG2 4.18Å; N115-V118 WeakPolarHBondContact O-CB 3.08Å; N115-V118 PolarHBondContact O-N 3.23Å; N115-Q119 PolarHBondContact O-N 3.19Å
116Q93.4Very high93.6Very high61 Ų6138.7 Ų38.729%0.28521%0.21SC..Hα-helixtrans-51.8-30.2175.163.1174.8-20.600114.9S114 V118 S120 N150 I153S114-Q116 PolarHBondContact O-N 3.29Å; Q116-V118 VanDerWaalsContact C-N 3.35Å; Q116-S120 WeakPolarHBondContact O-CB 3.22Å; Q116-S120 PolarHBondContact O-N 3.03Å; Q116-N150 PolarHBondContact OE1-ND2 2.99Å; Q116-I153 HydrophobicContact CB-CD1 4.03Å; Q116-I153 HydrophobicContact CB-CG1 4.32Å; Q116-I153 WeakPolarHBondContact O-CD1 3.21Å
117Y94.2Very high93.7Very high110 Ų11039 Ų3943%0.43121%0.214SC..Hα-helixtrans-73.8-28.1179.3-59.9-65.9000112.3N115 L121 Y152N115-Y117 PolarHBondContact O-N 2.88Å; N115-Y117 VanDerWaalsContact O-N 3.1Å; N115-Y117 WeakPolarHBondContact OD1-CB 3.37Å; N115-Y117 VanDerWaalsContact OD1-CD2 3.23Å; N115-Y117 WeakPolarHBondContact OD1-CD2 3.46Å; N115-Y117 PolarHBondContact OD1-N 3.1Å; Y117-L121 WeakPolarHBondContact O-CG 3.25Å; Y117-L121 PolarHBondContact O-N 3.08Å; Y117-Y152 HydrophobicContact CD1-CE1 4.24Å; Y117-Y152 HydrophobicContact CE1-CE1 4.46Å
118V94.3Very high93.6Very high4 Ų443 Ų432%0.02424%0.241CC..Hα-helixtrans-74.4-48.8174.4175.40000110Y79 K82 D110 H113 N115 Q116 S120 L121 A122Y79-V118 HydrophobicContact CD2-CG2 4.09Å; K82-V118 HydrophobicContact CD-CG1 3.93Å; K82-V118 HydrophobicContact CD-CG2 4.35Å; D110-V118 HydrophobicContact CB-CG1 3.69Å; D110-V118 VanDerWaalsContact CG-CG1 3.47Å; D110-V118 WeakPolarHBondContact OD1-CG1 3.13Å; H113-V118 HydrophobicContact CB-CB 4.36Å; H113-V118 HydrophobicContact CB-CG1 3.97Å; N115-V118 HydrophobicContact CB-CG2 4.18Å; N115-V118 WeakPolarHBondContact O-CB 3.08Å; N115-V118 PolarHBondContact O-N 3.23Å; Q116-V118 VanDerWaalsContact C-N 3.35Å; V118-S120 PolarHBondContact O-N 3.32Å; V118-L121 WeakPolarHBondContact O-CB 3.35Å; V118-L121 PolarHBondContact O-N 2.88Å; V118-A122 PolarHBondContact O-N 3.19Å; V118-A122 VanDerWaalsContact O-N 3.1Å
119Q94.5Very high93.4Very high28 Ų2839.4 Ų39.413%0.13123%0.226CC..Hα-helixtrans-52.6-42.5171.4-63.7178.8-8.600111.5D110 H113 N115 L121 A122 L123 I153D110-Q119 WeakPolarHBondContact O-CA 3.49Å; D110-Q119 WeakPolarHBondContact O-CG 3.22Å; D110-Q119 PolarHBondContact O-N 3.27Å; H113-Q119 WeakPolarHBondContact O-CG 3.23Å; H113-Q119 PolarHBondContact O-NE2 3.35Å; N115-Q119 PolarHBondContact O-N 3.19Å; Q119-L121 VanDerWaalsContact C-N 3.34Å; Q119-L121 PolarHBondContact O-N 2.84Å; Q119-A122 PolarHBondContact O-N 3.42Å; Q119-L123 WeakPolarHBondContact O-CB 3.34Å; Q119-L123 VanDerWaalsContact O-CG 3.27Å; Q119-L123 WeakPolarHBondContact O-CG 3.36Å; Q119-L123 PolarHBondContact O-N 3.28Å; Q119-I153 HydrophobicContact CB-CD1 3.91Å
120S94.4Very high93.3Very high5 Ų535.2 Ų35.24%0.03520%0.203CC..Hα-helixtrans-64.2-30.2178.81720000114.6Q116 V118 C124 Y152 K156Q116-S120 WeakPolarHBondContact O-CB 3.22Å; Q116-S120 PolarHBondContact O-N 3.03Å; V118-S120 PolarHBondContact O-N 3.32Å; S120-C124 VanDerWaalsContact O-CB 3.27Å; S120-C124 WeakPolarHBondContact O-CB 3.37Å; S120-C124 PolarHBondContact O-N 2.84Å; S120-Y152 WeakPolarHBondContact OG-CE1 3.4Å; S120-Y152 PolarHBondContact OG-OH 2.94Å; S120-K156 PolarHBondContact O-NZ 3.31Å; S120-K156 VanDerWaalsContact OG-CD 3.27Å; S120-K156 WeakPolarHBondContact OG-CD 3.47Å; S120-K156 WeakPolarHBondContact OG-CE 3.26Å; S120-K156 PolarHBondContact OG-NZ 3.39Å
121L94.9Very high93.1Very high27 Ų2735.5 Ų35.514%0.14121%0.206CC..Hα-helixtrans-75.8-44173.3-71.4170.3000111.2Y79 R83 Y86 Y117 V118 Q119 C124 T125Y79-L121 HydrophobicContact CD2-CD1 4.03Å; Y79-L121 HydrophobicContact CE2-CD1 3.52Å; Y79-L121 HydrophobicContact CE2-CG 4.34Å; R83-L121 HydrophobicContact CB-CD1 4.06Å; R83-L121 HydrophobicContact CG-CD2 4.33Å; Y86-L121 HydrophobicContact CD2-CB 3.66Å; Y86-L121 HydrophobicContact CD2-CD1 4.23Å; Y86-L121 HydrophobicContact CE2-CB 4.14Å; Y86-L121 HydrophobicContact CG-CB 4.2Å; Y117-L121 WeakPolarHBondContact O-CG 3.25Å; Y117-L121 PolarHBondContact O-N 3.08Å; V118-L121 WeakPolarHBondContact O-CB 3.35Å; V118-L121 PolarHBondContact O-N 2.88Å; Q119-L121 VanDerWaalsContact C-N 3.34Å; Q119-L121 PolarHBondContact O-N 2.84Å; L121-C124 PolarHBondContact O-N 3.38Å; L121-T125 PolarHBondContact O-N 3.35Å; L121-T125 PolarHBondContact O-OG1 3.03Å
122A94.8Very high92.9Very high0 Ų037.5 Ų37.50%022%0.223CC..Hα-helixtrans-60.3-48.717600000111.6I107 D110 L111 V118 Q119 C124 T125 L126I107-A122 HydrophobicContact CG2-CB 4.24Å; D110-A122 HydrophobicContact CB-CB 3.85Å; L111-A122 HydrophobicContact CD2-CB 3.87Å; L111-A122 HydrophobicContact CG-CB 4.08Å; V118-A122 PolarHBondContact O-N 3.19Å; V118-A122 VanDerWaalsContact O-N 3.1Å; Q119-A122 PolarHBondContact O-N 3.42Å; A122-C124 VanDerWaalsContact C-N 3.34Å; A122-C124 PolarHBondContact O-N 2.99Å; A122-T125 PolarHBondContact O-N 2.63Å; A122-L126 WeakPolarHBondContact O-CB 3.46Å; A122-L126 PolarHBondContact O-N 3.46Å
123L95.3Very high92.8Very high1 Ų139.6 Ų39.61%0.00522%0.224CC..Hα-helixtrans-59-40.8173.6-73.3173000113L111 Q119 A127 I142 L145 I153 K156 A157 C160L111-L123 HydrophobicContact CD2-CD2 3.61Å; L111-L123 HydrophobicContact CD2-CG 3.67Å; Q119-L123 WeakPolarHBondContact O-CB 3.34Å; Q119-L123 VanDerWaalsContact O-CG 3.27Å; Q119-L123 WeakPolarHBondContact O-CG 3.36Å; Q119-L123 PolarHBondContact O-N 3.28Å; L123-A127 VanDerWaalsContact O-CB 3.24Å; L123-A127 WeakPolarHBondContact O-CB 3.33Å; L123-A127 PolarHBondContact O-N 3.16Å; L123-I142 HydrophobicContact CD2-CD1 3.39Å; L123-L145 HydrophobicContact CD1-CD1 4.42Å; L123-L145 HydrophobicContact CD2-CD1 4.09Å; L123-L145 HydrophobicContact CG-CD1 4.47Å; L123-I153 HydrophobicContact CD1-CG2 4.01Å; L123-K156 HydrophobicContact CB-CB 4.21Å; L123-K156 HydrophobicContact CD1-CB 3.89Å; L123-A157 HydrophobicContact CD1-CB 4.4Å; L123-A157 HydrophobicContact CD2-CB 4.36Å; L123-C160 HydrophobicContact CD2-CB 4.17Å
124C95.6Very high92.6Very high45 Ų4536.4 Ų36.430%0.30421%0.209SC..Hα-helixtrans-65.3-44.5178.6-164.70000111.3S120 L121 A122 A127 C128S120-C124 VanDerWaalsContact O-CB 3.27Å; S120-C124 WeakPolarHBondContact O-CB 3.37Å; S120-C124 PolarHBondContact O-N 2.84Å; L121-C124 PolarHBondContact O-N 3.38Å; A122-C124 VanDerWaalsContact C-N 3.34Å; A122-C124 PolarHBondContact O-N 2.99Å; C124-A127 PolarHBondContact O-N 2.98Å; C124-C128 WeakPolarHBondContact O-CB 3.49Å; C124-C128 PolarHBondContact O-N 3.33Å; C124-C128 VanDerWaalsContact O-N 3.11Å; C124-C128 PolarHBondContact O-SG 2.78Å; C124-C128 VanDerWaalsContact O-SG 3.34Å
125T93.2Very high92.7Very high1 Ų130.8 Ų30.81%0.00617%0.17CC..Hα-helixtrans-65.3-47.8-179.2-53.40000110.7Y86 A89 M90 I107 L121 A122 A127 C128 M129Y86-T125 HydrophobicContact CD1-CG2 3.85Å; Y86-T125 WeakPolarHBondContact CD1-OG1 3.38Å; Y86-T125 HydrophobicContact CE1-CG2 4.38Å; A89-T125 HydrophobicContact CB-CG2 4.4Å; M90-T125 HydrophobicContact CG-CG2 3.94Å; I107-T125 HydrophobicContact CD1-CG2 4.23Å; L121-T125 PolarHBondContact O-N 3.35Å; L121-T125 PolarHBondContact O-OG1 3.03Å; A122-T125 PolarHBondContact O-N 2.63Å; T125-A127 VanDerWaalsContact C-N 3.31Å; T125-A127 PolarHBondContact O-N 3.15Å; T125-C128 PolarHBondContact O-N 3.3Å; T125-C128 VanDerWaalsContact O-N 3.13Å; T125-M129 HydrophobicContact CG2-CG 3.82Å; T125-M129 HydrophobicContact CG2-SD 3.81Å; T125-M129 VanDerWaalsContact O-CG 3.25Å; T125-M129 WeakPolarHBondContact O-CG 3.36Å; T125-M129 PolarHBondContact O-N 3.26Å
126L93.1Very high92.6Very high0 Ų034 Ų340%018%0.178CC..Hα-helixtrans-60.9-39.6177.6-175.261.9000112.1A122 C128 G130 M134 L138 I142 C160 H163A122-L126 WeakPolarHBondContact O-CB 3.46Å; A122-L126 PolarHBondContact O-N 3.46Å; L126-C128 VanDerWaalsContact C-N 3.31Å; L126-C128 PolarHBondContact O-N 2.93Å; L126-G130 VanDerWaalsContact O-CA 3.29Å; L126-G130 WeakPolarHBondContact O-CA 3.47Å; L126-G130 PolarHBondContact O-N 3.25Å; L126-M134 HydrophobicContact CD1-CB 4.01Å; L126-M134 HydrophobicContact CD1-CE 4.41Å; L126-L138 HydrophobicContact CD1-CD1 3.85Å; L126-L138 HydrophobicContact CD2-CB 3.93Å; L126-L138 HydrophobicContact CD2-CD1 3.82Å; L126-L138 HydrophobicContact CG-CD1 4.47Å; L126-I142 HydrophobicContact CD2-CD1 3.97Å; L126-I142 HydrophobicContact CD2-CG1 4.17Å; L126-C160 VanDerWaalsContact CD2-SG 3.58Å; L126-H163 PolarHBondContact O-CD2 3.44Å
127A92.7Very high92.6Very high28 Ų2835.9 Ų35.923%0.23119%0.19CC..Hα-helixtrans-72.6-17.6177.500000114.6L123 C124 T125 C160 H163L123-A127 VanDerWaalsContact O-CB 3.24Å; L123-A127 WeakPolarHBondContact O-CB 3.33Å; L123-A127 PolarHBondContact O-N 3.16Å; C124-A127 PolarHBondContact O-N 2.98Å; T125-A127 VanDerWaalsContact C-N 3.31Å; T125-A127 PolarHBondContact O-N 3.15Å; A127-C160 HydrophobicContact CB-CB 4.15Å; A127-H163 PolarHBondContact O-ND1 2.89Å
128C91.4Very high92.5Very high85 Ų8530.7 Ų30.757%0.57417%0.169SC*.Hα-helixtrans-100-36.3179.9-72.80000113.5M90 C124 T125 L126M90-C128 HydrophobicContact CG-CB 4.21Å; M90-C128 HydrophobicContact SD-CB 3.83Å; C124-C128 WeakPolarHBondContact O-CB 3.49Å; C124-C128 PolarHBondContact O-N 3.33Å; C124-C128 VanDerWaalsContact O-N 3.11Å; C124-C128 PolarHBondContact O-SG 2.78Å; C124-C128 VanDerWaalsContact O-SG 3.34Å; T125-C128 PolarHBondContact O-N 3.3Å; T125-C128 VanDerWaalsContact O-N 3.13Å; L126-C128 VanDerWaalsContact C-N 3.31Å; L126-C128 PolarHBondContact O-N 2.93Å
129M89.3Confident92.5Very high19 Ų1930.5 Ų30.59%0.09417%0.168CC..Hα-helixtrans-134.812.7-172.669157.2-58.300114.5A89 M90 L93 T125 S131A89-M129 VanDerWaalsContact C-SD 3.56Å; A89-M129 HydrophobicContact CB-SD 3.98Å; M90-M129 HydrophobicContact CG-CG 4.41Å; L93-M129 HydrophobicContact CB-CE 3.72Å; L93-M129 HydrophobicContact CB-SD 4.49Å; T125-M129 HydrophobicContact CG2-CG 3.82Å; T125-M129 HydrophobicContact CG2-SD 3.81Å; T125-M129 VanDerWaalsContact O-CG 3.25Å; T125-M129 WeakPolarHBondContact O-CG 3.36Å; T125-M129 PolarHBondContact O-N 3.26Å; M129-S131 PolarHBondContact O-N 2.86Å
130G88.9Confident92.5Very high0 Ų032.9 Ų32.90%019%0.186CC..  trans-62.5120.6-178.600000112.5L126 H163L126-G130 VanDerWaalsContact O-CA 3.29Å; L126-G130 WeakPolarHBondContact O-CA 3.47Å; L126-G130 PolarHBondContact O-N 3.25Å; G130-H163 PolarHBondContact O-NE2 3.31Å
131S90.9Very high92.4Very high13 Ų1334.8 Ų34.89%0.09120%0.195CC..  trans-70.8165.7171.5780000111.3M129 E133 M134 C135M129-S131 PolarHBondContact O-N 2.86Å; S131-E133 VanDerWaalsContact C-N 3.26Å; S131-E133 PolarHBondContact O-N 3.07Å; S131-M134 PolarHBondContact O-N 2.84Å; S131-M134 VanDerWaalsContact OG-CG 3.31Å; S131-M134 WeakPolarHBondContact OG-CG 3.31Å; S131-M134 PolarHBondContact OG-N 2.76Å; S131-C135 WeakPolarHBondContact O-CB 3.23Å; S131-C135 PolarHBondContact O-N 3.44Å; S131-C135 PolarHBondContact O-SG 2.79Å
132A90.8Very high92.5Very high42 Ų4233.5 Ų33.535%0.34719%0.188SC..Hα-helixtrans-59-37.2178.600000112.7C135 R136 V168A132-C135 PolarHBondContact O-N 3.09Å; A132-R136 WeakPolarHBondContact O-CG 3.41Å; A132-R136 PolarHBondContact O-N 2.67Å; A132-R136 VanDerWaalsContact O-N 3.08Å; A132-V168 HydrophobicContact CB-CG2 4.02Å
133E88.7Confident92.4Very high118 Ų11834 Ų3455%0.55119%0.191SC*.Hα-helixtrans-69.5-47.7178.1-62.8179.5176.700111.4L101 S131 C135 R136 D137L101-E133 WeakPolarHBondContact CD2-OE2 2.94Å; S131-E133 VanDerWaalsContact C-N 3.26Å; S131-E133 PolarHBondContact O-N 3.07Å; E133-C135 PolarHBondContact O-N 3.47Å; E133-R136 PolarHBondContact O-N 2.91Å; E133-D137 PolarHBondContact O-N 2.83Å
134M90.6Very high92.3Very high1 Ų138.9 Ų38.91%0.00521%0.209CC..Hα-helixtrans-55.6-40.2173.4-66.317482.700111.9I103 T104 I107 L126 S131 L138I103-M134 HydrophobicContact CG2-CE 4.48Å; T104-M134 HydrophobicContact CG2-CG 4.27Å; T104-M134 WeakPolarHBondContact OG1-CG 3.37Å; I107-M134 HydrophobicContact CD1-CE 3.72Å; L126-M134 HydrophobicContact CD1-CB 4.01Å; L126-M134 HydrophobicContact CD1-CE 4.41Å; S131-M134 PolarHBondContact O-N 2.84Å; S131-M134 VanDerWaalsContact OG-CG 3.31Å; S131-M134 WeakPolarHBondContact OG-CG 3.31Å; S131-M134 PolarHBondContact OG-N 2.76Å; M134-L138 VanDerWaalsContact O-CB 3.25Å; M134-L138 WeakPolarHBondContact O-CB 3.48Å; M134-L138 VanDerWaalsContact O-CG 3.27Å; M134-L138 WeakPolarHBondContact O-CG 3.48Å; M134-L138 PolarHBondContact O-N 2.88Å
135C92.4Very high92.2Very high0 Ų036.9 Ų36.90%020%0.195CC..Hα-helixtrans-65.7-38.6177.2-73.70000112.4S131 A132 E133 A139 I164 V168S131-C135 WeakPolarHBondContact O-CB 3.23Å; S131-C135 PolarHBondContact O-N 3.44Å; S131-C135 PolarHBondContact O-SG 2.79Å; A132-C135 PolarHBondContact O-N 3.09Å; E133-C135 PolarHBondContact O-N 3.47Å; C135-A139 VanDerWaalsContact O-CB 3.26Å; C135-A139 WeakPolarHBondContact O-CB 3.27Å; C135-A139 PolarHBondContact O-N 3.01Å; C135-A139 VanDerWaalsContact O-N 3.16Å; C135-I164 HydrophobicContact CB-CB 4.42Å; C135-I164 HydrophobicContact CB-CG1 3.95Å; C135-I164 HydrophobicContact CB-CG2 4.25Å; C135-V168 HydrophobicContact CB-CG2 4.15Å
136R92.2Very high92.2Very high127 Ų12737 Ų3748%0.47920%0.196SC..Hα-helixtrans-65.9-47.2174.1-70.4-179.9-170.8-84.5-0.6111.6A132 E133 L138 V168 D170 L171A132-R136 WeakPolarHBondContact O-CG 3.41Å; A132-R136 PolarHBondContact O-N 2.67Å; A132-R136 VanDerWaalsContact O-N 3.08Å; E133-R136 PolarHBondContact O-N 2.91Å; R136-L138 PolarHBondContact O-N 2.97Å; R136-V168 HydrophobicContact CG-CG1 4.16Å; R136-V168 HydrophobicContact CG-CG2 4.26Å; R136-D170 IonicContact CZ-OD2 3.16Å; R136-D170 IonicContact NH1-OD2 2.71Å; R136-D170 PolarHBondContact NH1-OD2 3.14Å; R136-D170 IonicContact NH2-OD2 2.59Å; R136-D170 PolarHBondContact NH2-OD2 2.9Å; R136-L171 HydrophobicContact CG-CD1 4.16Å
137D91.7Very high92Very high99 Ų9944.4 Ų44.453%0.52922%0.224SC..Hα-helixtrans-68.1-31.9-176.6-75.3-7.8000114.2T104 E133T104-D137 HydrophobicContact CG2-CB 4.17Å; E133-D137 PolarHBondContact O-N 2.83Å
138L93.6Very high91.8Very high1 Ų144.6 Ų44.61%0.00522%0.224CC..Hα-helixtrans-104.7-11.9-170.9-59.1172.7000113.9T104 I107 K108 L111 L126 M134 R136 P140 E141 I142T104-L138 HydrophobicContact CG2-CD1 4.18Å; T104-L138 HydrophobicContact CG2-CD2 4.48Å; T104-L138 HydrophobicContact CG2-CG 4.26Å; I107-L138 HydrophobicContact CB-CD1 4.29Å; I107-L138 HydrophobicContact CG2-CD1 3.55Å; K108-L138 HydrophobicContact CB-CD2 3.71Å; K108-L138 HydrophobicContact CD-CD2 4.31Å; K108-L138 HydrophobicContact CG-CD2 3.97Å; L111-L138 HydrophobicContact CD1-CD2 4.34Å; L126-L138 HydrophobicContact CD1-CD1 3.85Å; L126-L138 HydrophobicContact CD2-CB 3.93Å; L126-L138 HydrophobicContact CD2-CD1 3.82Å; L126-L138 HydrophobicContact CG-CD1 4.47Å; M134-L138 VanDerWaalsContact O-CB 3.25Å; M134-L138 WeakPolarHBondContact O-CB 3.48Å; M134-L138 VanDerWaalsContact O-CG 3.27Å; M134-L138 WeakPolarHBondContact O-CG 3.48Å; M134-L138 PolarHBondContact O-N 2.88Å; R136-L138 PolarHBondContact O-N 2.97Å; L138-P140 VanDerWaalsContact C-CD 3.43Å; L138-P140 VanDerWaalsContact C-N 3.34Å; L138-E141 WeakPolarHBondContact O-CB 3.33Å; L138-E141 PolarHBondContact O-N 2.83Å; L138-I142 PolarHBondContact O-N 2.81Å; L138-I142 VanDerWaalsContact O-N 3.15Å
139A94Very high91.6Very high1 Ų146 Ų461%0.00824%0.235CC..Hα-helixtrans-50.3-41.8178.500000115C135 E141 I142 D143 I164 L171 L174 F175C135-A139 VanDerWaalsContact O-CB 3.26Å; C135-A139 WeakPolarHBondContact O-CB 3.27Å; C135-A139 PolarHBondContact O-N 3.01Å; C135-A139 VanDerWaalsContact O-N 3.16Å; A139-E141 VanDerWaalsContact C-N 3.31Å; A139-E141 PolarHBondContact O-N 3.46Å; A139-I142 PolarHBondContact O-N 2.82Å; A139-D143 PolarHBondContact O-N 2.93Å; A139-I164 HydrophobicContact CB-CD1 4.31Å; A139-I164 HydrophobicContact CB-CG2 4.29Å; A139-L171 HydrophobicContact CB-CD1 3.98Å; A139-L174 HydrophobicContact CB-CD2 4.19Å; A139-F175 HydrophobicContact CB-CZ 4.02Å
140P93.4Very high91.8Very high78 Ų7847.7 Ų47.751%0.50624%0.244SC..Hα-helixtrans-62.3-35176.6-23.635.2000113.6L138 R144L138-P140 VanDerWaalsContact C-CD 3.43Å; L138-P140 VanDerWaalsContact C-N 3.34Å; P140-R144 PolarHBondContact O-N 2.86Å
141E93.8Very high92Very high45 Ų4549.6 Ų49.621%0.2126%0.257CS..Hα-helixtrans-70.5-35.8176.2-66.1-61.8157.900111.6L111 L138 A139 R144 L145L111-E141 HydrophobicContact CD1-CB 4.16Å; L138-E141 WeakPolarHBondContact O-CB 3.33Å; L138-E141 PolarHBondContact O-N 2.83Å; A139-E141 VanDerWaalsContact C-N 3.31Å; A139-E141 PolarHBondContact O-N 3.46Å; E141-R144 PolarHBondContact O-N 3.02Å; E141-R144 IonicContact OE2-CZ 3.2Å; E141-R144 IonicContact OE2-NE 2.69Å; E141-R144 PolarHBondContact OE2-NE 2.82Å; E141-R144 IonicContact OE2-NH2 2.79Å; E141-R144 PolarHBondContact OE2-NH2 2.82Å; E141-L145 WeakPolarHBondContact O-CB 3.47Å; E141-L145 VanDerWaalsContact O-CG 3.29Å; E141-L145 WeakPolarHBondContact O-CG 3.2Å; E141-L145 PolarHBondContact O-N 2.85Å
142I95.3Very high92.1Very high0 Ų052.5 Ų52.50%027%0.267CS..Hα-helixtrans-66.5-44.5175.9-57.1-47.7000110.9L111 L123 L126 L138 A139 R144 L145 L146 A157 C160 A161 I164 F175L111-I142 HydrophobicContact CD1-CD1 4.05Å; L111-I142 HydrophobicContact CD2-CD1 4.25Å; L123-I142 HydrophobicContact CD2-CD1 3.39Å; L126-I142 HydrophobicContact CD2-CD1 3.97Å; L126-I142 HydrophobicContact CD2-CG1 4.17Å; L138-I142 PolarHBondContact O-N 2.81Å; L138-I142 VanDerWaalsContact O-N 3.15Å; A139-I142 PolarHBondContact O-N 2.82Å; I142-R144 VanDerWaalsContact C-N 3.33Å; I142-R144 PolarHBondContact O-N 3.22Å; I142-L145 PolarHBondContact O-N 2.84Å; I142-L145 VanDerWaalsContact O-N 3.09Å; I142-L146 WeakPolarHBondContact O-CG 3.37Å; I142-L146 PolarHBondContact O-N 2.8Å; I142-A157 HydrophobicContact CG2-CB 4.43Å; I142-A157 WeakPolarHBondContact CG2-O 3.11Å; I142-C160 HydrophobicContact CG2-CB 4.3Å; I142-A161 HydrophobicContact CG2-CB 4.12Å; I142-I164 HydrophobicContact CB-CD1 4.13Å; I142-I164 HydrophobicContact CG1-CD1 3.68Å; I142-I164 HydrophobicContact CG2-CD1 4.37Å; I142-F175 HydrophobicContact CB-CE1 4.3Å; I142-F175 HydrophobicContact CG2-CE1 4.14Å
143D93.6Very high92.2Very high11 Ų1150.6 Ų50.66%0.05925%0.25CS..Hα-helixtrans-63.2-37.5175.818050.1000112.3A139 L145 L146 R147 L174 F175 S178A139-D143 PolarHBondContact O-N 2.93Å; D143-L145 PolarHBondContact O-N 3.35Å; D143-L146 PolarHBondContact O-N 3.4Å; D143-R147 PolarHBondContact O-N 2.83Å; D143-R147 IonicContact OD1-CZ 2.58Å; D143-R147 IonicContact OD1-NH1 2.6Å; D143-R147 PolarHBondContact OD1-NH1 3.48Å; D143-R147 IonicContact OD2-CZ 2.7Å; D143-R147 IonicContact OD2-NH1 2.93Å; D143-R147 PolarHBondContact OD2-NH1 2.87Å; D143-R147 IonicContact OD2-NH2 3.78Å; D143-R147 PolarHBondContact OD2-NH2 2.89Å; D143-L174 HydrophobicContact CB-CD2 4.27Å; D143-L174 HydrophobicContact CB-CG 4.24Å; D143-F175 HydrophobicContact CB-CD1 4.21Å; D143-F175 HydrophobicContact CB-CE1 3.91Å; D143-S178 WeakPolarHBondContact OD1-CB 3.44Å; D143-S178 PolarHBondContact OD1-OG 3.33Å
144R93.6Very high92.4Very high103 Ų10346 Ų4639%0.38923%0.228SC..Hα-helixtrans-60-43.5169-175.3-175.162.472.92.3112.3L111 P140 E141 I142 R147L111-R144 PolarHBondContact O-NH2 2.85Å; P140-R144 PolarHBondContact O-N 2.86Å; E141-R144 PolarHBondContact O-N 3.02Å; E141-R144 IonicContact OE2-CZ 3.2Å; E141-R144 IonicContact OE2-NE 2.69Å; E141-R144 PolarHBondContact OE2-NE 2.82Å; E141-R144 IonicContact OE2-NH2 2.79Å; E141-R144 PolarHBondContact OE2-NH2 2.82Å; I142-R144 VanDerWaalsContact C-N 3.33Å; I142-R144 PolarHBondContact O-N 3.22Å; R144-R147 PolarHBondContact O-N 2.66Å
145L92.9Very high92.6Very high3 Ų349.7 Ų49.72%0.01625%0.245CC..Hα-helixtrans-72.7-28-179.4-70.9172.9000113.4L111 L123 E141 I142 D143 R147 S148 I153 A157L111-L145 HydrophobicContact CB-CD1 4.19Å; L111-L145 HydrophobicContact CD2-CD1 3.73Å; L111-L145 HydrophobicContact CG-CD1 4.47Å; L123-L145 HydrophobicContact CD1-CD1 4.42Å; L123-L145 HydrophobicContact CD2-CD1 4.09Å; L123-L145 HydrophobicContact CG-CD1 4.47Å; E141-L145 WeakPolarHBondContact O-CB 3.47Å; E141-L145 VanDerWaalsContact O-CG 3.29Å; E141-L145 WeakPolarHBondContact O-CG 3.2Å; E141-L145 PolarHBondContact O-N 2.85Å; I142-L145 PolarHBondContact O-N 2.84Å; I142-L145 VanDerWaalsContact O-N 3.09Å; D143-L145 PolarHBondContact O-N 3.35Å; L145-R147 VanDerWaalsContact C-N 3.26Å; L145-R147 PolarHBondContact O-N 3.04Å; L145-S148 VanDerWaalsContact O-CB 3.26Å; L145-S148 WeakPolarHBondContact O-CB 3.45Å; L145-S148 PolarHBondContact O-N 2.91Å; L145-S148 PolarHBondContact O-OG 2.65Å; L145-I153 HydrophobicContact CB-CG2 4.18Å; L145-I153 HydrophobicContact CD2-CG2 4.16Å; L145-A157 HydrophobicContact CB-CB 4.14Å
146L92.6Very high92.7Very high4 Ų452.1 Ų52.12%0.02126%0.255CS..Hα-helixtrans-60.2-36.4169.6-72.2176.7000112.1I142 D143 S148 A157 A158 A161 F175 L182I142-L146 WeakPolarHBondContact O-CG 3.37Å; I142-L146 PolarHBondContact O-N 2.8Å; D143-L146 PolarHBondContact O-N 3.4Å; L146-S148 VanDerWaalsContact C-N 3.31Å; L146-S148 PolarHBondContact O-N 3.05Å; L146-A157 VanDerWaalsContact CD2-C 3.48Å; L146-A157 HydrophobicContact CD2-CB 3.69Å; L146-A157 HydrophobicContact CG-CB 4.12Å; L146-A158 HydrophobicContact CD2-CB 4.06Å; L146-A158 VanDerWaalsContact CD2-N 3.33Å; L146-A161 HydrophobicContact CD1-CB 4.28Å; L146-F175 HydrophobicContact CD1-CD1 3.77Å; L146-F175 HydrophobicContact CD1-CE1 4.32Å; L146-L182 HydrophobicContact CD2-CD1 4.02Å
147R89.9Confident92.8Very high154 Ų15446 Ų4658%0.58123%0.232SC*.THydrogen-bonded Turntrans-82.12.7176.3-69.4-170.9-72.8-87.3-1.3115D143 R144 L145 S178D143-R147 PolarHBondContact O-N 2.83Å; D143-R147 IonicContact OD1-CZ 2.58Å; D143-R147 IonicContact OD1-NH1 2.6Å; D143-R147 PolarHBondContact OD1-NH1 3.48Å; D143-R147 IonicContact OD2-CZ 2.7Å; D143-R147 IonicContact OD2-NH1 2.93Å; D143-R147 PolarHBondContact OD2-NH1 2.87Å; D143-R147 IonicContact OD2-NH2 3.78Å; D143-R147 PolarHBondContact OD2-NH2 2.89Å; R144-R147 PolarHBondContact O-N 2.66Å; L145-R147 VanDerWaalsContact C-N 3.26Å; L145-R147 PolarHBondContact O-N 3.04Å; R147-S178 PolarHBondContact NH1-OG 3.1Å
148S89.3Confident93Very high33 Ų3341.3 Ų41.323%0.23121%0.207CC..SBendtrans-62.1170.1174.367.80000111.9L145 L146 K154L145-S148 VanDerWaalsContact O-CB 3.26Å; L145-S148 WeakPolarHBondContact O-CB 3.45Å; L145-S148 PolarHBondContact O-N 2.91Å; L145-S148 PolarHBondContact O-OG 2.65Å; L146-S148 VanDerWaalsContact C-N 3.31Å; L146-S148 PolarHBondContact O-N 3.05Å; S148-K154 WeakPolarHBondContact O-CE 3.26Å; S148-K154 PolarHBondContact O-NZ 3.37Å
149S86.7Confident93.1Very high115 Ų11545.1 Ų45.180%0.80423%0.227SC*.SBendtrans-86.2-15.8172.154.30000113.4S151S149-S151 PolarHBondContact O-N 3.07Å
150N92.6Very high93.2Very high53 Ų5345.1 Ų45.128%0.28323%0.227SC..  trans-89.7109.4-166.7-175.8-14000112.7Q116 Y152 I153 K154Q116-N150 PolarHBondContact OE1-ND2 2.99Å; N150-Y152 PolarHBondContact O-N 3.43Å; N150-Y152 VanDerWaalsContact OD1-CB 3.32Å; N150-Y152 WeakPolarHBondContact OD1-CB 3.29Å; N150-Y152 PolarHBondContact OD1-N 3.38Å; N150-I153 HydrophobicContact CB-CB 4.34Å; N150-I153 HydrophobicContact CB-CG1 4.23Å; N150-I153 PolarHBondContact O-N 3.47Å; N150-K154 PolarHBondContact O-N 3.24Å
151S92.6Very high93.3Very high40 Ų4041.4 Ų41.428%0.2820%0.203SC..Hα-helixtrans-57-29.8178.8-45.40000114.1S149 I153 K155 V190S149-S151 PolarHBondContact O-N 3.07Å; S151-I153 VanDerWaalsContact C-N 3.33Å; S151-K155 WeakPolarHBondContact O-CG 3.42Å; S151-K155 PolarHBondContact O-N 2.92Å; S151-V190 WeakPolarHBondContact O-CG2 3.41Å
152Y93Very high93.3Very high75 Ų7539.4 Ų39.429%0.29419%0.193SC..Hα-helixtrans-68-33.8176.5178.3-101.2000112.4Y117 S120 N150 K155Y117-Y152 HydrophobicContact CD1-CE1 4.24Å; Y117-Y152 HydrophobicContact CE1-CE1 4.46Å; S120-Y152 WeakPolarHBondContact OG-CE1 3.4Å; S120-Y152 PolarHBondContact OG-OH 2.94Å; N150-Y152 PolarHBondContact O-N 3.43Å; N150-Y152 VanDerWaalsContact OD1-CB 3.32Å; N150-Y152 WeakPolarHBondContact OD1-CB 3.29Å; N150-Y152 PolarHBondContact OD1-N 3.38Å; Y152-K155 WeakPolarHBondContact O-CG 3.43Å
153I94.1Very high93.3Very high1 Ų140.7 Ų40.71%0.00520%0.2CC..Hα-helixtrans-80.3-47.5174.8-62.2-58.7000110.5Q116 Q119 L123 L145 N150 S151 K155 K156 A157Q116-I153 HydrophobicContact CB-CD1 4.03Å; Q116-I153 HydrophobicContact CB-CG1 4.32Å; Q116-I153 WeakPolarHBondContact O-CD1 3.21Å; Q119-I153 HydrophobicContact CB-CD1 3.91Å; L123-I153 HydrophobicContact CD1-CG2 4.01Å; L145-I153 HydrophobicContact CB-CG2 4.18Å; L145-I153 HydrophobicContact CD2-CG2 4.16Å; N150-I153 HydrophobicContact CB-CB 4.34Å; N150-I153 HydrophobicContact CB-CG1 4.23Å; N150-I153 PolarHBondContact O-N 3.47Å; S151-I153 VanDerWaalsContact C-N 3.33Å; I153-K155 VanDerWaalsContact C-N 3.34Å; I153-K155 PolarHBondContact O-N 2.95Å; I153-K156 PolarHBondContact O-N 3.48Å; I153-A157 PolarHBondContact O-N 3.34Å
154K93.6Very high93.3Very high21 Ų2140.2 Ų40.29%0.09120%0.197CC..Hα-helixtrans-48.3-51178.9-75.2-175.9178.9171.10113.1S148 N150 K156 A157 A158 L182 E185 V190S148-K154 WeakPolarHBondContact O-CE 3.26Å; S148-K154 PolarHBondContact O-NZ 3.37Å; N150-K154 PolarHBondContact O-N 3.24Å; K154-K156 PolarHBondContact O-N 3.33Å; K154-A157 PolarHBondContact O-N 3.23Å; K154-A158 WeakPolarHBondContact O-CB 3.34Å; K154-A158 PolarHBondContact O-N 3.4Å; K154-L182 HydrophobicContact CD-CD2 3.97Å; K154-L182 HydrophobicContact CG-CD2 4.47Å; K154-E185 IonicContact NZ-OE1 3.55Å; K154-E185 PolarHBondContact NZ-OE1 3.26Å; K154-V190 HydrophobicContact CB-CG1 3.86Å; K154-V190 HydrophobicContact CB-CG2 3.87Å; K154-V190 HydrophobicContact CD-CG1 4.09Å
155K93.4Very high93.3Very high80 Ų8035.4 Ų35.435%0.34818%0.179SC..Hα-helixtrans-62.1-29.2-178.169.4-175.4-175.6179.50113.5S151 Y152 I153 G189 V190S151-K155 WeakPolarHBondContact O-CG 3.42Å; S151-K155 PolarHBondContact O-N 2.92Å; Y152-K155 WeakPolarHBondContact O-CG 3.43Å; I153-K155 VanDerWaalsContact C-N 3.34Å; I153-K155 PolarHBondContact O-N 2.95Å; K155-G189 WeakPolarHBondContact CB-O 3.33Å; K155-V190 HydrophobicContact CB-CG2 4.21Å
156K94.8Very high93.3Very high50 Ų5041.1 Ų41.122%0.21720%0.2CC..Hα-helixtrans-82.5-42.8176-79.5167.4159.1-89.90111.8S120 L123 I153 K154 A158 L159 C160S120-K156 PolarHBondContact O-NZ 3.31Å; S120-K156 VanDerWaalsContact OG-CD 3.27Å; S120-K156 WeakPolarHBondContact OG-CD 3.47Å; S120-K156 WeakPolarHBondContact OG-CE 3.26Å; S120-K156 PolarHBondContact OG-NZ 3.39Å; L123-K156 HydrophobicContact CB-CB 4.21Å; L123-K156 HydrophobicContact CD1-CB 3.89Å; I153-K156 PolarHBondContact O-N 3.48Å; K154-K156 PolarHBondContact O-N 3.33Å; K156-A158 VanDerWaalsContact C-N 3.28Å; K156-A158 PolarHBondContact O-N 3.43Å; K156-L159 PolarHBondContact O-N 2.94Å; K156-C160 WeakPolarHBondContact O-CB 3.41Å; K156-C160 PolarHBondContact O-N 3.48Å
157A95.6Very high93.3Very high0 Ų044.5 Ų44.50%022%0.215CC..Hα-helixtrans-61.3-36.5174.500000111.7L123 I142 L145 L146 I153 K154 C160 A161L123-A157 HydrophobicContact CD1-CB 4.4Å; L123-A157 HydrophobicContact CD2-CB 4.36Å; I142-A157 HydrophobicContact CG2-CB 4.43Å; I142-A157 WeakPolarHBondContact CG2-O 3.11Å; L145-A157 HydrophobicContact CB-CB 4.14Å; L146-A157 VanDerWaalsContact CD2-C 3.48Å; L146-A157 HydrophobicContact CD2-CB 3.69Å; L146-A157 HydrophobicContact CG-CB 4.12Å; I153-A157 PolarHBondContact O-N 3.34Å; K154-A157 PolarHBondContact O-N 3.23Å; A157-C160 WeakPolarHBondContact O-CB 3.43Å; A157-C160 PolarHBondContact O-N 3Å; A157-A161 WeakPolarHBondContact O-CB 3.49Å; A157-A161 PolarHBondContact O-N 3.03Å
158A95.4Very high93.4Very high0 Ų037.4 Ų37.40%019%0.188CC..Hα-helixtrans-63.3-46.1175.600000112.5L146 K154 K156 C160 A161 V162L146-A158 HydrophobicContact CD2-CB 4.06Å; L146-A158 VanDerWaalsContact CD2-N 3.33Å; K154-A158 WeakPolarHBondContact O-CB 3.34Å; K154-A158 PolarHBondContact O-N 3.4Å; K156-A158 VanDerWaalsContact C-N 3.28Å; K156-A158 PolarHBondContact O-N 3.43Å; A158-C160 VanDerWaalsContact C-N 3.32Å; A158-A161 PolarHBondContact O-N 3.14Å; A158-V162 WeakPolarHBondContact O-CG2 3.37Å; A158-V162 PolarHBondContact O-N 3.02Å
159L95.4Very high93.4Very high81 Ų8140 Ų4042%0.42420%0.197SC..Hα-helixtrans-71.1-28.1175.7-63.2177.5000112.7K156 V162 H163 V196K156-L159 PolarHBondContact O-N 2.94Å; L159-V162 WeakPolarHBondContact O-CB 3.36Å; L159-V162 PolarHBondContact O-N 3.23Å; L159-H163 PolarHBondContact O-N 2.93Å; L159-H163 VanDerWaalsContact O-N 3.14Å; L159-V196 HydrophobicContact CD2-CB 4.5Å; L159-V196 HydrophobicContact CD2-CG1 4.3Å
160C95.6Very high93.5Very high0 Ų039.9 Ų39.90%019%0.187CC..Hα-helixtrans-68.7-40.6171.1-166.10000111.8L123 L126 A127 I142 K156 A157 A158 V162 H163 I164L123-C160 HydrophobicContact CD2-CB 4.17Å; L126-C160 VanDerWaalsContact CD2-SG 3.58Å; A127-C160 HydrophobicContact CB-CB 4.15Å; I142-C160 HydrophobicContact CG2-CB 4.3Å; K156-C160 WeakPolarHBondContact O-CB 3.41Å; K156-C160 PolarHBondContact O-N 3.48Å; A157-C160 WeakPolarHBondContact O-CB 3.43Å; A157-C160 PolarHBondContact O-N 3Å; A158-C160 VanDerWaalsContact C-N 3.32Å; C160-V162 VanDerWaalsContact C-N 3.33Å; C160-H163 WeakPolarHBondContact O-CB 3.44Å; C160-H163 PolarHBondContact O-N 3.48Å; C160-I164 WeakPolarHBondContact O-CG1 3.45Å; C160-I164 PolarHBondContact O-N 3.27Å
161A95.3Very high93.3Very high0 Ų039.2 Ų39.20%018%0.183CC..Hα-helixtrans-62.5-39.2172.100000111.4I142 L146 A157 A158 H163 I164 V165 F175 L197I142-A161 HydrophobicContact CG2-CB 4.12Å; L146-A161 HydrophobicContact CD1-CB 4.28Å; A157-A161 WeakPolarHBondContact O-CB 3.49Å; A157-A161 PolarHBondContact O-N 3.03Å; A158-A161 PolarHBondContact O-N 3.14Å; A161-H163 VanDerWaalsContact C-N 3.31Å; A161-H163 PolarHBondContact O-N 3.34Å; A161-I164 PolarHBondContact O-N 3.29Å; A161-V165 VanDerWaalsContact O-CG2 3.31Å; A161-V165 WeakPolarHBondContact O-CG2 3.27Å; A161-V165 PolarHBondContact O-N 3.2Å; A161-F175 HydrophobicContact CB-CD1 3.86Å; A161-F175 HydrophobicContact CB-CD2 4.38Å; A161-F175 HydrophobicContact CB-CE1 3.92Å; A161-F175 HydrophobicContact CB-CE2 4.44Å; A161-F175 HydrophobicContact CB-CG 4.1Å; A161-F175 HydrophobicContact CB-CZ 4.21Å; A161-L197 HydrophobicContact CB-CD1 3.9Å; A161-L197 HydrophobicContact CB-CD2 4.07Å
162V95.1Very high93Very high3 Ų337.4 Ų37.42%0.01817%0.171CC..Hα-helixtrans-56.6-44.2171.6173.30000111.4A158 L159 C160 V165 R166 V196 L197A158-V162 WeakPolarHBondContact O-CG2 3.37Å; A158-V162 PolarHBondContact O-N 3.02Å; L159-V162 WeakPolarHBondContact O-CB 3.36Å; L159-V162 PolarHBondContact O-N 3.23Å; C160-V162 VanDerWaalsContact C-N 3.33Å; V162-V165 PolarHBondContact O-N 3.18Å; V162-R166 WeakPolarHBondContact O-CG 3.4Å; V162-R166 PolarHBondContact O-N 3.46Å; V162-V196 HydrophobicContact CG1-CG1 4.25Å; V162-V196 HydrophobicContact CG2-CG1 3.89Å; V162-L197 HydrophobicContact CG2-CB 3.86Å; V162-L197 HydrophobicContact CG2-CD1 4.04Å
163H94.3Very high92.8Very high28 Ų2839.6 Ų39.613%0.1318%0.184CC..Hα-helixtrans-64-43.3176.6-17771.6000112.2L126 A127 G130 L159 C160 A161 R166 K167L126-H163 PolarHBondContact O-CD2 3.44Å; A127-H163 PolarHBondContact O-ND1 2.89Å; G130-H163 PolarHBondContact O-NE2 3.31Å; L159-H163 PolarHBondContact O-N 2.93Å; L159-H163 VanDerWaalsContact O-N 3.14Å; C160-H163 WeakPolarHBondContact O-CB 3.44Å; C160-H163 PolarHBondContact O-N 3.48Å; A161-H163 VanDerWaalsContact C-N 3.31Å; A161-H163 PolarHBondContact O-N 3.34Å; H163-R166 WeakPolarHBondContact O-CB 3.18Å; H163-R166 PolarHBondContact O-N 3.4Å; H163-K167 PolarHBondContact O-N 3.03Å
164I94.6Very high92.6Very high0 Ų042.9 Ų42.90%020%0.202CC..Hα-helixtrans-58.9-49.3175.3-68.2167.1000110.5C135 A139 I142 C160 A161 R166 K167 V168 L171 F175C135-I164 HydrophobicContact CB-CB 4.42Å; C135-I164 HydrophobicContact CB-CG1 3.95Å; C135-I164 HydrophobicContact CB-CG2 4.25Å; A139-I164 HydrophobicContact CB-CD1 4.31Å; A139-I164 HydrophobicContact CB-CG2 4.29Å; I142-I164 HydrophobicContact CB-CD1 4.13Å; I142-I164 HydrophobicContact CG1-CD1 3.68Å; I142-I164 HydrophobicContact CG2-CD1 4.37Å; C160-I164 WeakPolarHBondContact O-CG1 3.45Å; C160-I164 PolarHBondContact O-N 3.27Å; A161-I164 PolarHBondContact O-N 3.29Å; I164-R166 VanDerWaalsContact C-N 3.27Å; I164-R166 PolarHBondContact O-N 2.82Å; I164-K167 PolarHBondContact O-N 3.13Å; I164-K167 VanDerWaalsContact O-N 3.12Å; I164-V168 PolarHBondContact O-N 3.05Å; I164-L171 HydrophobicContact CG2-CB 4.16Å; I164-L171 HydrophobicContact CG2-CD1 3.87Å; I164-F175 HydrophobicContact CB-CE2 4.3Å; I164-F175 HydrophobicContact CD1-CZ 4.15Å; I164-F175 HydrophobicContact CG2-CE2 3.79Å; I164-F175 HydrophobicContact CG2-CZ 4.22Å
165V93.6Very high92.6Very high2 Ų241.9 Ų41.91%0.01220%0.197CC..Hα-helixtrans-61.8-33.2178.31740000112A161 V162 H169 F175 L197 E200 L201 R204A161-V165 VanDerWaalsContact O-CG2 3.31Å; A161-V165 WeakPolarHBondContact O-CG2 3.27Å; A161-V165 PolarHBondContact O-N 3.2Å; V162-V165 PolarHBondContact O-N 3.18Å; V165-H169 PolarHBondContact O-ND1 3.29Å; V165-F175 HydrophobicContact CG2-CD2 3.92Å; V165-F175 HydrophobicContact CG2-CE2 4.44Å; V165-L197 HydrophobicContact CG2-CD1 4.33Å; V165-E200 HydrophobicContact CB-CG 4.48Å; V165-E200 HydrophobicContact CG1-CG 3.88Å; V165-L201 HydrophobicContact CG1-CD2 4.05Å; V165-L201 HydrophobicContact CG2-CD2 3.94Å; V165-R204 HydrophobicContact CG1-CG 4.49Å
166R92.8Very high92.5Very high123 Ų12338.9 Ų38.946%0.46419%0.185SC..Hα-helixtrans-71.2-33.9173.8-78.9176.6-179.2146.114.6114.1V162 H163 I164 H169 E200V162-R166 WeakPolarHBondContact O-CG 3.4Å; V162-R166 PolarHBondContact O-N 3.46Å; H163-R166 WeakPolarHBondContact O-CB 3.18Å; H163-R166 PolarHBondContact O-N 3.4Å; I164-R166 VanDerWaalsContact C-N 3.27Å; I164-R166 PolarHBondContact O-N 2.82Å; R166-H169 PolarHBondContact O-CE1 3.26Å; R166-E200 VanDerWaalsContact CG-CD 3.47Å; R166-E200 HydrophobicContact CG-CG 4.01Å; R166-E200 WeakPolarHBondContact CG-OE1 3.44Å; R166-E200 IonicContact CZ-OE2 3.67Å; R166-E200 IonicContact NE-OE1 2.79Å; R166-E200 IonicContact NE-OE2 3.31Å; R166-E200 PolarHBondContact NE-OE2 2.85Å; R166-E200 IonicContact NH2-OE2 3.5Å; R166-E200 PolarHBondContact NH2-OE2 3.41Å
167K91.8Very high92.3Very high75 Ų7540.8 Ų40.833%0.32620%0.203SC..Hα-helixtrans-87.9-35.9-178.2-79.2-69-165173.10113.3E95 H163 I164E95-K167 WeakPolarHBondContact OE1-CE 3.36Å; E95-K167 IonicContact OE1-NZ 3.79Å; E95-K167 PolarHBondContact OE1-NZ 3.24Å; E95-K167 IonicContact OE2-NZ 3.6Å; E95-K167 PolarHBondContact OE2-NZ 2.73Å; H163-K167 PolarHBondContact O-N 3.03Å; I164-K167 PolarHBondContact O-N 3.13Å; I164-K167 VanDerWaalsContact O-N 3.12Å
168V92.6Very high92Very high5 Ų541.2 Ų41.23%0.0321%0.206CC..  trans-138.592.3-175.4-175.30000108.3A132 C135 R136 I164 D170 L171A132-V168 HydrophobicContact CB-CG2 4.02Å; C135-V168 HydrophobicContact CB-CG2 4.15Å; R136-V168 HydrophobicContact CG-CG1 4.16Å; R136-V168 HydrophobicContact CG-CG2 4.26Å; I164-V168 PolarHBondContact O-N 3.05Å; V168-D170 VanDerWaalsContact C-N 3.27Å; V168-D170 HydrophobicContact CG1-CB 4.34Å; V168-D170 PolarHBondContact O-N 3.12Å; V168-L171 HydrophobicContact CB-CD1 3.98Å; V168-L171 HydrophobicContact CB-CG 4.41Å; V168-L171 HydrophobicContact CG1-CD1 3.74Å; V168-L171 HydrophobicContact CG1-CG 3.82Å; V168-L171 PolarHBondContact O-N 3.35Å
169H87.9Confident91.7Very high89 Ų8941.2 Ų41.241%0.41221%0.206SC..G310 helixtrans-61.9-34.6-174.3-57.3-32.1000112.7V165 R166 L171 G172 R204V165-H169 PolarHBondContact O-ND1 3.29Å; R166-H169 PolarHBondContact O-CE1 3.26Å; H169-L171 PolarHBondContact O-N 2.9Å; H169-G172 PolarHBondContact O-N 2.94Å; H169-R204 PolarHBondContact CE1-NH1 2.71Å; H169-R204 PolarHBondContact NE2-NH1 2.95Å
170D89Confident91.4Very high112 Ų11244.7 Ų44.760%0.59921%0.213SC*.G310 helixtrans-51.1-31.2178.2-33.4-26.6000113.3R136 V168 G172R136-D170 IonicContact CZ-OD2 3.16Å; R136-D170 IonicContact NH1-OD2 2.71Å; R136-D170 PolarHBondContact NH1-OD2 3.14Å; R136-D170 IonicContact NH2-OD2 2.59Å; R136-D170 PolarHBondContact NH2-OD2 2.9Å; V168-D170 VanDerWaalsContact C-N 3.27Å; V168-D170 HydrophobicContact CG1-CB 4.34Å; V168-D170 PolarHBondContact O-N 3.12Å; D170-G172 VanDerWaalsContact C-N 3.28Å; D170-G172 PolarHBondContact O-N 3.13Å
171L88.9Confident91.2Very high38 Ų3848.5 Ų48.520%0.19924%0.24CC..G310 helixtrans-84.10.6-176.3-64.1172000113.5R136 A139 I164 V168 H169 E173 L174 F175R136-L171 HydrophobicContact CG-CD1 4.16Å; A139-L171 HydrophobicContact CB-CD1 3.98Å; I164-L171 HydrophobicContact CG2-CB 4.16Å; I164-L171 HydrophobicContact CG2-CD1 3.87Å; V168-L171 HydrophobicContact CB-CD1 3.98Å; V168-L171 HydrophobicContact CB-CG 4.41Å; V168-L171 HydrophobicContact CG1-CD1 3.74Å; V168-L171 HydrophobicContact CG1-CG 3.82Å; V168-L171 PolarHBondContact O-N 3.35Å; H169-L171 PolarHBondContact O-N 2.9Å; L171-E173 VanDerWaalsContact C-N 3.32Å; L171-E173 PolarHBondContact O-N 3.26Å; L171-L174 WeakPolarHBondContact O-CB 3.4Å; L171-L174 PolarHBondContact O-N 2.94Å; L171-F175 WeakPolarHBondContact O-CD2 3.45Å
172G86.7Confident90.9Very high3 Ų348.7 Ų48.73%0.03124%0.241CC..Hα-helixtrans-57.3-41.2-179.100000113.8H169 D170 L174 F175 L201H169-G172 PolarHBondContact O-N 2.94Å; D170-G172 VanDerWaalsContact C-N 3.28Å; D170-G172 PolarHBondContact O-N 3.13Å; G172-L174 VanDerWaalsContact C-N 3.29Å; G172-L174 PolarHBondContact O-N 3.09Å; G172-F175 PolarHBondContact O-N 2.86Å; G172-F175 VanDerWaalsContact O-N 3.16Å; G172-L201 WeakPolarHBondContact O-CD2 3.42Å
173E88.3Confident90.6Very high121 Ų12149.2 Ų49.257%0.56524%0.244SC*.Hα-helixtrans-61.1-35.9-175.9-60.2-153.613400113.5L171 F175 V176L171-E173 VanDerWaalsContact C-N 3.32Å; L171-E173 PolarHBondContact O-N 3.26Å; E173-F175 PolarHBondContact O-N 2.81Å; E173-V176 PolarHBondContact O-N 3.4Å
174L91Very high90.3Very high70 Ų7052.7 Ų52.737%0.36627%0.271SS..Hα-helixtrans-55.7-38.1178.4178.564.6000111.8A139 D143 L171 G172A139-L174 HydrophobicContact CB-CD2 4.19Å; D143-L174 HydrophobicContact CB-CD2 4.27Å; D143-L174 HydrophobicContact CB-CG 4.24Å; L171-L174 WeakPolarHBondContact O-CB 3.4Å; L171-L174 PolarHBondContact O-N 2.94Å; G172-L174 VanDerWaalsContact C-N 3.29Å; G172-L174 PolarHBondContact O-N 3.09Å
175F92.7Very high90Very high0 Ų055.1 Ų55.10%028%0.282CS..Hα-helixtrans-87.7-12.7-174.2-60.2-66.5000113.8A139 I142 D143 L146 A161 I164 V165 L171 G172 E173 S178 A179 L197A139-F175 HydrophobicContact CB-CZ 4.02Å; I142-F175 HydrophobicContact CB-CE1 4.3Å; I142-F175 HydrophobicContact CG2-CE1 4.14Å; D143-F175 HydrophobicContact CB-CD1 4.21Å; D143-F175 HydrophobicContact CB-CE1 3.91Å; L146-F175 HydrophobicContact CD1-CD1 3.77Å; L146-F175 HydrophobicContact CD1-CE1 4.32Å; A161-F175 HydrophobicContact CB-CD1 3.86Å; A161-F175 HydrophobicContact CB-CD2 4.38Å; A161-F175 HydrophobicContact CB-CE1 3.92Å; A161-F175 HydrophobicContact CB-CE2 4.44Å; A161-F175 HydrophobicContact CB-CG 4.1Å; A161-F175 HydrophobicContact CB-CZ 4.21Å; I164-F175 HydrophobicContact CB-CE2 4.3Å; I164-F175 HydrophobicContact CD1-CZ 4.15Å; I164-F175 HydrophobicContact CG2-CE2 3.79Å; I164-F175 HydrophobicContact CG2-CZ 4.22Å; V165-F175 HydrophobicContact CG2-CD2 3.92Å; V165-F175 HydrophobicContact CG2-CE2 4.44Å; L171-F175 WeakPolarHBondContact O-CD2 3.45Å; G172-F175 PolarHBondContact O-N 2.86Å; G172-F175 VanDerWaalsContact O-N 3.16Å; E173-F175 PolarHBondContact O-N 2.81Å; F175-S178 PolarHBondContact O-N 2.79Å; F175-A179 VanDerWaalsContact O-CB 3.24Å; F175-A179 WeakPolarHBondContact O-CB 3.37Å; F175-A179 PolarHBondContact O-N 2.82Å; F175-L197 HydrophobicContact CB-CD2 4.49Å
176V90.6Very high89.7Confident16 Ų1664.6 Ų64.610%0.09732%0.323CS..Hα-helixtrans-57.7-46.7-176.6173.90000113.4E173 A179 R180 L201 T208 F212E173-V176 PolarHBondContact O-N 3.4Å; V176-A179 PolarHBondContact O-N 3.15Å; V176-R180 PolarHBondContact O-N 2.9Å; V176-L201 HydrophobicContact CG2-CD1 4.27Å; V176-L201 HydrophobicContact CG2-CD2 4.46Å; V176-T208 HydrophobicContact CG2-CG2 3.82Å; V176-F212 HydrophobicContact CG1-CE2 3.97Å; V176-F212 HydrophobicContact CG1-CZ 4.05Å
177P91.1Very high89.6Confident91 Ų9161.8 Ų61.859%0.59132%0.318SS*.Hα-helixtrans-65.7-44.2179.3-19.433.2000112.1R180 S181P177-R180 PolarHBondContact O-N 2.89Å; P177-S181 PolarHBondContact O-N 2.88Å
178S89.8Confident89.6Confident8 Ų860.2 Ų60.26%0.05631%0.311CS..Hα-helixtrans-62.7-42.9177.8-66.90000111D143 R147 F175 R180 S181 L182D143-S178 WeakPolarHBondContact OD1-CB 3.44Å; D143-S178 PolarHBondContact OD1-OG 3.33Å; R147-S178 PolarHBondContact NH1-OG 3.1Å; F175-S178 PolarHBondContact O-N 2.79Å; S178-R180 PolarHBondContact O-N 3.24Å; S178-S181 PolarHBondContact O-N 3.23Å; S178-L182 WeakPolarHBondContact O-CG 3.2Å; S178-L182 PolarHBondContact O-N 3.15Å
179A89.9Confident89.5Confident0 Ų061.5 Ų61.50%033%0.325CS..Hα-helixtrans-60.4-43.2177.500000112.9F175 V176 S181 L182 L197 I198 L201 F212F175-A179 VanDerWaalsContact O-CB 3.24Å; F175-A179 WeakPolarHBondContact O-CB 3.37Å; F175-A179 PolarHBondContact O-N 2.82Å; V176-A179 PolarHBondContact O-N 3.15Å; A179-S181 PolarHBondContact O-N 3.38Å; A179-L182 PolarHBondContact O-N 3.03Å; A179-L197 HydrophobicContact CB-CD2 3.88Å; A179-L197 HydrophobicContact CB-CG 4.18Å; A179-I198 HydrophobicContact CB-CG1 3.92Å; A179-L201 HydrophobicContact CB-CD1 4.14Å; A179-F212 HydrophobicContact CB-CZ 4.15Å
180R88.6Confident89.8Confident155 Ų15557.2 Ų57.259%0.58531%0.306SS*.Hα-helixtrans-62.8-40.9176.2-172.6177.5-179.6-168.7-1.4112.3V176 P177 S178 L182 L183 F212 T215V176-R180 PolarHBondContact O-N 2.9Å; P177-R180 PolarHBondContact O-N 2.89Å; S178-R180 PolarHBondContact O-N 3.24Å; R180-L182 VanDerWaalsContact C-N 3.27Å; R180-L182 PolarHBondContact O-N 2.67Å; R180-L183 PolarHBondContact O-N 2.94Å; R180-F212 HydrophobicContact CB-CE1 3.95Å; R180-F212 HydrophobicContact CB-CZ 4.49Å; R180-F212 HydrophobicContact CG-CE1 4.48Å; R180-T215 HydrophobicContact CG-CG2 4.39Å
181S89.8Confident90Very high79 Ų7952.5 Ų52.555%0.55228%0.28SS*.Hα-helixtrans-61.7-35.1179.2-169.60000112.5P177 S178 A179 L183 S184P177-S181 PolarHBondContact O-N 2.88Å; S178-S181 PolarHBondContact O-N 3.23Å; A179-S181 PolarHBondContact O-N 3.38Å; S181-L183 VanDerWaalsContact C-N 3.26Å; S181-L183 PolarHBondContact O-N 3.38Å; S181-S184 PolarHBondContact O-N 3.4Å; S181-S184 PolarHBondContact O-OG 3.32Å
182L90Very high90.3Very high5 Ų553 Ų533%0.02628%0.282CS..G310 helixtrans-71.2-13.6-177.9-64163.8000114.2L146 K154 S178 A179 R180 S184 E185 V190 A194L146-L182 HydrophobicContact CD2-CD1 4.02Å; K154-L182 HydrophobicContact CD-CD2 3.97Å; K154-L182 HydrophobicContact CG-CD2 4.47Å; S178-L182 WeakPolarHBondContact O-CG 3.2Å; S178-L182 PolarHBondContact O-N 3.15Å; A179-L182 PolarHBondContact O-N 3.03Å; R180-L182 VanDerWaalsContact C-N 3.27Å; R180-L182 PolarHBondContact O-N 2.67Å; L182-S184 PolarHBondContact O-N 3.35Å; L182-E185 HydrophobicContact CD2-CG 4.34Å; L182-E185 WeakPolarHBondContact O-CB 3.49Å; L182-E185 PolarHBondContact O-N 2.91Å; L182-V190 HydrophobicContact CD2-CG1 3.86Å; L182-A194 HydrophobicContact CB-CB 3.54Å; L182-A194 HydrophobicContact CD1-CB 4.45Å
183L88.9Confident90.7Very high14 Ų1452.9 Ų52.97%0.07328%0.281CS..G310 helixtrans-68.7-20.1174.3-70.5-179.2000113.2R180 S181 E185 L191 A194 V195 I198 T215 L219R180-L183 PolarHBondContact O-N 2.94Å; S181-L183 VanDerWaalsContact C-N 3.26Å; S181-L183 PolarHBondContact O-N 3.38Å; L183-E185 VanDerWaalsContact C-N 3.3Å; L183-L191 HydrophobicContact CD2-CD1 3.92Å; L183-A194 HydrophobicContact CD2-CB 4.5Å; L183-V195 HydrophobicContact CD2-CG2 4.26Å; L183-I198 HydrophobicContact CD1-CD1 3.77Å; L183-I198 HydrophobicContact CD2-CD1 3.74Å; L183-I198 HydrophobicContact CG-CD1 3.72Å; L183-T215 HydrophobicContact CD1-CG2 4.45Å; L183-L219 HydrophobicContact CD1-CD2 4.36Å; L183-L219 HydrophobicContact CD2-CD2 3.85Å
184S88.3Confident91Very high101 Ų10147.1 Ų47.171%0.70625%0.254SS*.G310 helixtrans-86.22176.863.90000114S181 L182S181-S184 PolarHBondContact O-N 3.4Å; S181-S184 PolarHBondContact O-OG 3.32Å; L182-S184 PolarHBondContact O-N 3.35Å
185E88.3Confident91.2Very high51 Ų5143.8 Ų43.824%0.23824%0.236CC..  trans-74.9129.8179.4-74.4-73.9166.800112.8K154 L182 L183 N187 V190K154-E185 IonicContact NZ-OE1 3.55Å; K154-E185 PolarHBondContact NZ-OE1 3.26Å; L182-E185 HydrophobicContact CD2-CG 4.34Å; L182-E185 WeakPolarHBondContact O-CB 3.49Å; L182-E185 PolarHBondContact O-N 2.91Å; L183-E185 VanDerWaalsContact C-N 3.3Å; E185-N187 VanDerWaalsContact C-N 3.28Å; E185-N187 PolarHBondContact O-N 3.37Å; E185-V190 HydrophobicContact CB-CB 4.34Å; E185-V190 HydrophobicContact CB-CG1 4.08Å; E185-V190 HydrophobicContact CG-CG1 3.86Å
186K86.8Confident91.3Very high200 Ų20044.4 Ų44.487%0.8724%0.24SC*.SBendtrans-73.3-16.8175.9-65.2-177178.8-177.60113.7H188K186-H188 PolarHBondContact O-N 3.32Å
187N90.9Very high91.6Very high65 Ų6543.6 Ų43.635%0.34824%0.235SC..  trans-82.6111.9-178.3-171.2-80.3000110.7E185 G189 V190 L191E185-N187 VanDerWaalsContact C-N 3.28Å; E185-N187 PolarHBondContact O-N 3.37Å; N187-G189 PolarHBondContact O-N 3.09Å; N187-G189 VanDerWaalsContact O-N 3.13Å; N187-G189 PolarHBondContact OD1-N 3.43Å; N187-G189 VanDerWaalsContact OD1-N 3.11Å; N187-V190 HydrophobicContact CB-CB 4.28Å; N187-V190 HydrophobicContact CB-CG2 4Å; N187-V190 PolarHBondContact O-N 3.38Å; N187-V190 PolarHBondContact OD1-N 3.38Å; N187-L191 PolarHBondContact O-N 3.4Å
188H90.8Very high91.7Very high41 Ų4139.3 Ų39.319%0.1921%0.207CC..Hα-helixtrans-51.2-38.6-179.2-76-134.1000113.5K186 V190 L191 H192 L226 H235 D242 L245K186-H188 PolarHBondContact O-N 3.32Å; H188-V190 PolarHBondContact O-N 3.02Å; H188-L191 PolarHBondContact O-N 2.94Å; H188-H192 WeakPolarHBondContact O-CB 3.41Å; H188-H192 PolarHBondContact O-N 3.18Å; H188-L226 VanDerWaalsContact CE1-CD2 3.43Å; H188-L226 WeakPolarHBondContact CE1-CD2 3.42Å; H188-H235 AromaticContact CD2-CD2 3.73Å; H188-H235 AromaticContact CD2-NE2 3.96Å; H188-H235 AromaticContact CE1-CD2 3.64Å; H188-H235 AromaticContact CG-CD2 3.39Å; H188-H235 AromaticContact CG-NE2 3.64Å; H188-H235 AromaticContact ND1-CD2 3.34Å; H188-H235 PolarHBondContact ND1-CD2 3.22Å; H188-H235 VanDerWaalsContact ND1-CD2 3.34Å; H188-H235 AromaticContact ND1-CG 3.98Å; H188-H235 AromaticContact NE2-CD2 3.88Å; H188-D242 WeakPolarHBondContact CB-OD2 3.47Å; H188-D242 IonicContact CE1-OD2 2.76Å; H188-D242 IonicContact CG-OD2 2.7Å; H188-D242 IonicContact ND1-OD2 3.12Å; H188-D242 PolarHBondContact ND1-OD2 3.4Å; H188-L245 HydrophobicContact CB-CD2 4.41Å
189G91.4Very high91.9Very high32 Ų3239.4 Ų39.433%0.3321%0.208SC..Hα-helixtrans-70-29.6178.700000114.1K155 N187 G193K155-G189 WeakPolarHBondContact CB-O 3.33Å; N187-G189 PolarHBondContact O-N 3.09Å; N187-G189 VanDerWaalsContact O-N 3.13Å; N187-G189 PolarHBondContact OD1-N 3.43Å; N187-G189 VanDerWaalsContact OD1-N 3.11Å; G189-G193 PolarHBondContact O-N 3.29Å
190V94.1Very high92.1Very high0 Ų039.8 Ų39.80%021%0.209CC..Hα-helixtrans-75.7-44.6171.7179.80000110S151 K154 K155 L182 E185 N187 H188 H192 G193 A194S151-V190 WeakPolarHBondContact O-CG2 3.41Å; K154-V190 HydrophobicContact CB-CG1 3.86Å; K154-V190 HydrophobicContact CB-CG2 3.87Å; K154-V190 HydrophobicContact CD-CG1 4.09Å; K155-V190 HydrophobicContact CB-CG2 4.21Å; L182-V190 HydrophobicContact CD2-CG1 3.86Å; E185-V190 HydrophobicContact CB-CB 4.34Å; E185-V190 HydrophobicContact CB-CG1 4.08Å; E185-V190 HydrophobicContact CG-CG1 3.86Å; N187-V190 HydrophobicContact CB-CB 4.28Å; N187-V190 HydrophobicContact CB-CG2 4Å; N187-V190 PolarHBondContact O-N 3.38Å; N187-V190 PolarHBondContact OD1-N 3.38Å; H188-V190 PolarHBondContact O-N 3.02Å; V190-H192 PolarHBondContact O-N 3.32Å; V190-G193 CarbonylContact O-C 3.58Å; V190-G193 WeakPolarHBondContact O-CA 3.43Å; V190-G193 PolarHBondContact O-N 3.03Å; V190-G193 VanDerWaalsContact O-N 3.08Å; V190-A194 PolarHBondContact O-N 2.92Å
191L93.4Very high92.3Very high12 Ų1232.5 Ų32.56%0.06318%0.182CC..Hα-helixtrans-61.4-42.2178.6-176.958000112.2L183 N187 H188 G193 A194 V195 I222 L245L183-L191 HydrophobicContact CD2-CD1 3.92Å; N187-L191 PolarHBondContact O-N 3.4Å; H188-L191 PolarHBondContact O-N 2.94Å; L191-G193 VanDerWaalsContact C-N 3.33Å; L191-G193 PolarHBondContact O-N 3.26Å; L191-A194 WeakPolarHBondContact O-CB 3.29Å; L191-A194 PolarHBondContact O-N 3.15Å; L191-V195 HydrophobicContact CD1-CG2 4.41Å; L191-V195 WeakPolarHBondContact O-CG2 3.41Å; L191-V195 PolarHBondContact O-N 2.85Å; L191-I222 HydrophobicContact CD1-CD1 4.4Å; L191-I222 HydrophobicContact CD2-CG2 3.88Å; L191-L245 HydrophobicContact CD2-CD1 4.48Å; L191-L245 HydrophobicContact CD2-CD2 3.88Å; L191-L245 HydrophobicContact CG-CD1 4.08Å; L191-L245 HydrophobicContact CG-CD2 4.29Å
192H94.3Very high92.4Very high49 Ų4929 Ų2923%0.22716%0.157CC..Hα-helixtrans-58.7-43.9171175.7-71.6000111.5H188 V190 A194 V195 V196 L245 R248H188-H192 WeakPolarHBondContact O-CB 3.41Å; H188-H192 PolarHBondContact O-N 3.18Å; V190-H192 PolarHBondContact O-N 3.32Å; H192-A194 VanDerWaalsContact C-N 3.34Å; H192-A194 PolarHBondContact O-N 3.13Å; H192-V195 PolarHBondContact O-N 3.48Å; H192-V196 VanDerWaalsContact O-CG2 3.3Å; H192-V196 WeakPolarHBondContact O-CG2 3.22Å; H192-V196 PolarHBondContact O-N 2.92Å; H192-L245 HydrophobicContact CB-CD1 4.2Å; H192-R248 WeakPolarHBondContact NE2-CG 3.31Å
193G94.6Very high92.4Very high1 Ų134 Ų341%0.0118%0.18CC..Hα-helixtrans-60.5-42.2174.700000112.7G189 V190 L191 V196 L197G189-G193 PolarHBondContact O-N 3.29Å; V190-G193 CarbonylContact O-C 3.58Å; V190-G193 WeakPolarHBondContact O-CA 3.43Å; V190-G193 PolarHBondContact O-N 3.03Å; V190-G193 VanDerWaalsContact O-N 3.08Å; L191-G193 VanDerWaalsContact C-N 3.33Å; L191-G193 PolarHBondContact O-N 3.26Å; G193-V196 PolarHBondContact O-N 2.73Å; G193-L197 WeakPolarHBondContact O-CB 3.36Å; G193-L197 PolarHBondContact O-N 3.1Å
194A94.8Very high92.3Very high0 Ų038.7 Ų38.70%020%0.197CC..Hα-helixtrans-64.6-47.4176.800000112.3L182 L183 V190 L191 H192 V196 L197 I198L182-A194 HydrophobicContact CB-CB 3.54Å; L182-A194 HydrophobicContact CD1-CB 4.45Å; L183-A194 HydrophobicContact CD2-CB 4.5Å; V190-A194 PolarHBondContact O-N 2.92Å; L191-A194 WeakPolarHBondContact O-CB 3.29Å; L191-A194 PolarHBondContact O-N 3.15Å; H192-A194 VanDerWaalsContact C-N 3.34Å; H192-A194 PolarHBondContact O-N 3.13Å; A194-V196 VanDerWaalsContact C-N 3.32Å; A194-V196 PolarHBondContact O-N 2.68Å; A194-L197 PolarHBondContact O-N 3.18Å; A194-I198 VanDerWaalsContact O-CG1 3.3Å; A194-I198 WeakPolarHBondContact O-CG1 3.34Å; A194-I198 PolarHBondContact O-N 2.82Å
195V95.7Very high92.2Very high0 Ų035.8 Ų35.80%018%0.177CC..Hα-helixtrans-60.6-41.1177.2172.90000110.8L183 L191 H192 I198 T199 L219 L245 R248 I249 L252L183-V195 HydrophobicContact CD2-CG2 4.26Å; L191-V195 HydrophobicContact CD1-CG2 4.41Å; L191-V195 WeakPolarHBondContact O-CG2 3.41Å; L191-V195 PolarHBondContact O-N 2.85Å; H192-V195 PolarHBondContact O-N 3.48Å; V195-I198 PolarHBondContact O-N 3.31Å; V195-T199 WeakPolarHBondContact O-CB 3.37Å; V195-T199 PolarHBondContact O-N 2.73Å; V195-T199 PolarHBondContact O-OG1 2.86Å; V195-L219 HydrophobicContact CG2-CD2 4.38Å; V195-L245 HydrophobicContact CG2-CD1 4.39Å; V195-R248 HydrophobicContact CG1-CB 3.76Å; V195-R248 WeakPolarHBondContact CG1-O 3.38Å; V195-I249 HydrophobicContact CG1-CG1 4.4Å; V195-I249 HydrophobicContact CG2-CG1 4.1Å; V195-L252 HydrophobicContact CG1-CB 4.06Å; V195-L252 HydrophobicContact CG1-CD2 3.93Å
196V96.1Very high92.1Very high12 Ų1238.4 Ų38.47%0.07320%0.198CC..Hα-helixtrans-66.7-38.5175.6175.40000112.1L159 V162 H192 G193 A194 T199 E200 R248L159-V196 HydrophobicContact CD2-CB 4.5Å; L159-V196 HydrophobicContact CD2-CG1 4.3Å; V162-V196 HydrophobicContact CG1-CG1 4.25Å; V162-V196 HydrophobicContact CG2-CG1 3.89Å; H192-V196 VanDerWaalsContact O-CG2 3.3Å; H192-V196 WeakPolarHBondContact O-CG2 3.22Å; H192-V196 PolarHBondContact O-N 2.92Å; G193-V196 PolarHBondContact O-N 2.73Å; A194-V196 VanDerWaalsContact C-N 3.32Å; A194-V196 PolarHBondContact O-N 2.68Å; V196-T199 WeakPolarHBondContact O-CB 3.44Å; V196-T199 PolarHBondContact O-N 3.07Å; V196-E200 PolarHBondContact O-N 3.18Å; V196-E200 VanDerWaalsContact O-N 3.13Å; V196-R248 HydrophobicContact CG2-CG 4.16Å
197L94.9Very high92.1Very high0 Ų034.7 Ų34.70%018%0.184CC..Hα-helixtrans-63.7-46.8174.3179.358.5000112A161 V162 V165 F175 A179 G193 A194 T199 E200 L201A161-L197 HydrophobicContact CB-CD1 3.9Å; A161-L197 HydrophobicContact CB-CD2 4.07Å; V162-L197 HydrophobicContact CG2-CB 3.86Å; V162-L197 HydrophobicContact CG2-CD1 4.04Å; V165-L197 HydrophobicContact CG2-CD1 4.33Å; F175-L197 HydrophobicContact CB-CD2 4.49Å; A179-L197 HydrophobicContact CB-CD2 3.88Å; A179-L197 HydrophobicContact CB-CG 4.18Å; G193-L197 WeakPolarHBondContact O-CB 3.36Å; G193-L197 PolarHBondContact O-N 3.1Å; A194-L197 PolarHBondContact O-N 3.18Å; L197-T199 VanDerWaalsContact C-N 3.32Å; L197-T199 PolarHBondContact O-N 3.44Å; L197-E200 PolarHBondContact O-N 2.92Å; L197-L201 HydrophobicContact CD1-CD1 4.12Å; L197-L201 HydrophobicContact CD1-CG 4.3Å; L197-L201 HydrophobicContact CG-CD1 3.98Å; L197-L201 WeakPolarHBondContact O-CB 3.28Å; L197-L201 VanDerWaalsContact O-CG 3.28Å; L197-L201 WeakPolarHBondContact O-CG 3.36Å; L197-L201 PolarHBondContact O-N 3.47Å
198I94.5Very high91.8Very high1 Ų131.7 Ų31.71%0.00517%0.168CC..Hα-helixtrans-65.2-37.5176.9-62.7166.7000110.7A179 L183 A194 V195 E200 L201 C202 F212 L252A179-I198 HydrophobicContact CB-CG1 3.92Å; L183-I198 HydrophobicContact CD1-CD1 3.77Å; L183-I198 HydrophobicContact CD2-CD1 3.74Å; L183-I198 HydrophobicContact CG-CD1 3.72Å; A194-I198 VanDerWaalsContact O-CG1 3.3Å; A194-I198 WeakPolarHBondContact O-CG1 3.34Å; A194-I198 PolarHBondContact O-N 2.82Å; V195-I198 PolarHBondContact O-N 3.31Å; I198-E200 PolarHBondContact O-N 3.31Å; I198-L201 PolarHBondContact O-N 2.91Å; I198-C202 WeakPolarHBondContact O-CB 3.46Å; I198-C202 PolarHBondContact O-N 2.67Å; I198-C202 PolarHBondContact O-SG 3.33Å; I198-F212 HydrophobicContact CD1-CD1 4.22Å; I198-F212 HydrophobicContact CD1-CE1 3.82Å; I198-F212 HydrophobicContact CD1-CZ 4.35Å; I198-F212 HydrophobicContact CG1-CD1 4.36Å; I198-F212 HydrophobicContact CG1-CE1 3.86Å; I198-F212 HydrophobicContact CG1-CE2 4.41Å; I198-F212 HydrophobicContact CG1-CZ 3.9Å; I198-F212 HydrophobicContact CG2-CB 4.16Å; I198-F212 HydrophobicContact CG2-CD1 3.82Å; I198-F212 HydrophobicContact CG2-CD2 3.84Å; I198-F212 HydrophobicContact CG2-CE1 4.13Å; I198-F212 HydrophobicContact CG2-CE2 4.15Å; I198-F212 HydrophobicContact CG2-CG 3.68Å; I198-F212 HydrophobicContact CG2-CZ 4.3Å; I198-L252 HydrophobicContact CB-CD2 4.17Å; I198-L252 HydrophobicContact CG2-CD1 3.83Å; I198-L252 HydrophobicContact CG2-CD2 3.89Å
199T94.6Very high91.7Very high10 Ų1031 Ų316%0.06117%0.166CC..Hα-helixtrans-56.2-52.3174.7-58.20000110.9V195 V196 L197 C202 E203 I255V195-T199 WeakPolarHBondContact O-CB 3.37Å; V195-T199 PolarHBondContact O-N 2.73Å; V195-T199 PolarHBondContact O-OG1 2.86Å; V196-T199 WeakPolarHBondContact O-CB 3.44Å; V196-T199 PolarHBondContact O-N 3.07Å; L197-T199 VanDerWaalsContact C-N 3.32Å; L197-T199 PolarHBondContact O-N 3.44Å; T199-C202 PolarHBondContact O-N 2.77Å; T199-E203 WeakPolarHBondContact O-CG 3.39Å; T199-E203 PolarHBondContact O-N 3.31Å; T199-I255 HydrophobicContact CG2-CD1 3.64Å
200E93.6Very high91.5Very high8 Ų835.4 Ų35.44%0.03718%0.178CC..Hα-helixtrans-65.1-42.6179.7-166.276.4-148.500111.7V165 R166 V196 L197 I198 C202 E203 R204V165-E200 HydrophobicContact CB-CG 4.48Å; V165-E200 HydrophobicContact CG1-CG 3.88Å; R166-E200 VanDerWaalsContact CG-CD 3.47Å; R166-E200 HydrophobicContact CG-CG 4.01Å; R166-E200 WeakPolarHBondContact CG-OE1 3.44Å; R166-E200 IonicContact CZ-OE2 3.67Å; R166-E200 IonicContact NE-OE1 2.79Å; R166-E200 IonicContact NE-OE2 3.31Å; R166-E200 PolarHBondContact NE-OE2 2.85Å; R166-E200 IonicContact NH2-OE2 3.5Å; R166-E200 PolarHBondContact NH2-OE2 3.41Å; V196-E200 PolarHBondContact O-N 3.18Å; V196-E200 VanDerWaalsContact O-N 3.13Å; L197-E200 PolarHBondContact O-N 2.92Å; I198-E200 PolarHBondContact O-N 3.31Å; E200-C202 VanDerWaalsContact C-N 3.32Å; E200-C202 PolarHBondContact O-N 3.07Å; E200-E203 PolarHBondContact O-N 2.59Å; E200-R204 VanDerWaalsContact O-CG 3.24Å; E200-R204 WeakPolarHBondContact O-CG 3.26Å; E200-R204 PolarHBondContact O-N 2.98Å; E200-R204 VanDerWaalsContact O-N 3.14Å; E200-R204 IonicContact OE1-CZ 3.89Å; E200-R204 VanDerWaalsContact OE1-CZ 3.3Å; E200-R204 IonicContact OE1-NE 3.81Å; E200-R204 PolarHBondContact OE1-NE 2.63Å; E200-R204 IonicContact OE1-NH2 2.67Å; E200-R204 PolarHBondContact OE1-NH2 3.11Å
201L92.9Very high91.2Very high2 Ų241.1 Ų41.11%0.0120%0.199CC..Hα-helixtrans-60.4-39.7177.3-73.1169.6000112.5V165 G172 V176 A179 L197 I198 S205 T208V165-L201 HydrophobicContact CG1-CD2 4.05Å; V165-L201 HydrophobicContact CG2-CD2 3.94Å; G172-L201 WeakPolarHBondContact O-CD2 3.42Å; V176-L201 HydrophobicContact CG2-CD1 4.27Å; V176-L201 HydrophobicContact CG2-CD2 4.46Å; A179-L201 HydrophobicContact CB-CD1 4.14Å; L197-L201 HydrophobicContact CD1-CD1 4.12Å; L197-L201 HydrophobicContact CD1-CG 4.3Å; L197-L201 HydrophobicContact CG-CD1 3.98Å; L197-L201 WeakPolarHBondContact O-CB 3.28Å; L197-L201 VanDerWaalsContact O-CG 3.28Å; L197-L201 WeakPolarHBondContact O-CG 3.36Å; L197-L201 PolarHBondContact O-N 3.47Å; I198-L201 PolarHBondContact O-N 2.91Å; L201-S205 PolarHBondContact O-N 2.92Å; L201-S205 VanDerWaalsContact O-N 3.11Å; L201-T208 HydrophobicContact CB-CG2 3.92Å
202C91.8Very high91Very high5 Ų540.7 Ų40.73%0.03420%0.197CC..Hα-helixtrans-73.5-32.7177.4-70.50000113.4I198 T199 E200 R204 L209 I255I198-C202 WeakPolarHBondContact O-CB 3.46Å; I198-C202 PolarHBondContact O-N 2.67Å; I198-C202 PolarHBondContact O-SG 3.33Å; T199-C202 PolarHBondContact O-N 2.77Å; E200-C202 VanDerWaalsContact C-N 3.32Å; E200-C202 PolarHBondContact O-N 3.07Å; C202-R204 VanDerWaalsContact C-N 3.33Å; C202-L209 HydrophobicContact CB-CB 4.31Å; C202-L209 HydrophobicContact CB-CG 4.27Å; C202-I255 HydrophobicContact CB-CG2 4.09Å
203E89.9Confident90.8Very high109 Ų10941 Ų4151%0.50920%0.196SC..Hα-helixtrans-70.9-28.1175.3-75.2-178.3169.400112.5T199 E200 I255T199-E203 WeakPolarHBondContact O-CG 3.39Å; T199-E203 PolarHBondContact O-N 3.31Å; E200-E203 PolarHBondContact O-N 2.59Å; E203-I255 HydrophobicContact CG-CD1 3.85Å; E203-I255 HydrophobicContact CG-CG1 4.42Å; E203-I255 HydrophobicContact CG-CG2 4.38Å; E203-I255 VanDerWaalsContact OE1-CD1 3.29Å; E203-I255 WeakPolarHBondContact OE1-CD1 3.33Å
204R87.1Confident90.5Very high113 Ų11349.1 Ų49.143%0.42623%0.231SC..Hα-helixtrans-90.1-38.3-178.3-59.5-66.9173.6167.7-4.6114V165 H169 E200 C202V165-R204 HydrophobicContact CG1-CG 4.49Å; H169-R204 PolarHBondContact CE1-NH1 2.71Å; H169-R204 PolarHBondContact NE2-NH1 2.95Å; E200-R204 VanDerWaalsContact O-CG 3.24Å; E200-R204 WeakPolarHBondContact O-CG 3.26Å; E200-R204 PolarHBondContact O-N 2.98Å; E200-R204 VanDerWaalsContact O-N 3.14Å; E200-R204 IonicContact OE1-CZ 3.89Å; E200-R204 VanDerWaalsContact OE1-CZ 3.3Å; E200-R204 IonicContact OE1-NE 3.81Å; E200-R204 PolarHBondContact OE1-NE 2.63Å; E200-R204 IonicContact OE1-NH2 2.67Å; E200-R204 PolarHBondContact OE1-NH2 3.11Å; C202-R204 VanDerWaalsContact C-N 3.33Å
205S86Confident90.2Very high40 Ų4049.2 Ų49.228%0.2823%0.232SC..  trans-127.6107.7-168.4-61.40000112.7L201 E207 T208 L209L201-S205 PolarHBondContact O-N 2.92Å; L201-S205 VanDerWaalsContact O-N 3.11Å; S205-E207 VanDerWaalsContact C-N 3.31Å; S205-E207 PolarHBondContact O-N 3.3Å; S205-T208 WeakPolarHBondContact O-CB 3.4Å; S205-T208 PolarHBondContact O-N 2.88Å; S205-L209 PolarHBondContact O-N 2.96Å
206P85.8Confident90Very high107 Ų10749.3 Ų49.370%0.69523%0.232SC*.Hα-helixtrans-56.4-37.4179.8-2835.9000114.6T208 L209 E210P206-T208 VanDerWaalsContact C-N 3.29Å; P206-T208 PolarHBondContact O-N 3.01Å; P206-L209 VanDerWaalsContact O-CB 3.3Å; P206-L209 WeakPolarHBondContact O-CB 3.44Å; P206-L209 PolarHBondContact O-N 2.92Å; P206-E210 PolarHBondContact O-N 3.48Å
207E86.6Confident89.7Confident121 Ų12152.1 Ų52.157%0.56525%0.251SS*.Hα-helixtrans-62.5-37.1175.7-64.5-170.4-158.500112.9S205 L209 E210 R211S205-E207 VanDerWaalsContact C-N 3.31Å; S205-E207 PolarHBondContact O-N 3.3Å; E207-L209 VanDerWaalsContact C-N 3.32Å; E207-E210 PolarHBondContact O-N 2.84Å; E207-R211 WeakPolarHBondContact O-CG 3.34Å; E207-R211 PolarHBondContact O-N 3.14Å; E207-R211 IonicContact OE2-NH2 3.47Å; E207-R211 PolarHBondContact OE2-NH2 2.98Å
208T85.8Confident89.6Confident3 Ų355.9 Ų55.92%0.01827%0.271CS..Hα-helixtrans-70.6-35.5179.9-64.30000110.4V176 L201 S205 P206 E210 R211 F212V176-T208 HydrophobicContact CG2-CG2 3.82Å; L201-T208 HydrophobicContact CB-CG2 3.92Å; S205-T208 WeakPolarHBondContact O-CB 3.4Å; S205-T208 PolarHBondContact O-N 2.88Å; P206-T208 VanDerWaalsContact C-N 3.29Å; P206-T208 PolarHBondContact O-N 3.01Å; T208-E210 VanDerWaalsContact C-N 3.34Å; T208-E210 PolarHBondContact O-N 2.77Å; T208-R211 PolarHBondContact O-N 2.86Å; T208-F212 HydrophobicContact CG2-CD2 3.54Å; T208-F212 HydrophobicContact CG2-CE2 3.49Å; T208-F212 VanDerWaalsContact CG2-CE2 3.49Å; T208-F212 VanDerWaalsContact O-CD2 3.31Å; T208-F212 WeakPolarHBondContact O-CD2 3.43Å; T208-F212 PolarHBondContact O-N 2.97Å
209L87.8Confident89.4Confident26 Ų2655.9 Ų55.914%0.13627%0.271CS..Hα-helixtrans-57.8-43.9171.3-163.7166.8000111.1C202 S205 P206 E207 R211 F212 R213 I255 L256C202-L209 HydrophobicContact CB-CB 4.31Å; C202-L209 HydrophobicContact CB-CG 4.27Å; S205-L209 PolarHBondContact O-N 2.96Å; P206-L209 VanDerWaalsContact O-CB 3.3Å; P206-L209 WeakPolarHBondContact O-CB 3.44Å; P206-L209 PolarHBondContact O-N 2.92Å; E207-L209 VanDerWaalsContact C-N 3.32Å; L209-R211 PolarHBondContact O-N 2.82Å; L209-F212 PolarHBondContact O-N 3.17Å; L209-R213 HydrophobicContact CD2-CG 4Å; L209-R213 WeakPolarHBondContact O-CG 3.36Å; L209-R213 PolarHBondContact O-N 2.81Å; L209-I255 HydrophobicContact CD1-CG2 4.17Å; L209-L256 HydrophobicContact CD2-CD2 4.4Å; L209-L256 HydrophobicContact CG-CD2 4.31Å
210E87.1Confident89.3Confident124 Ų12456 Ų5658%0.57927%0.272SS*.Hα-helixtrans-63.6-38.1174.8-65.7-165.6164.200113.8P206 E207 T208P206-E210 PolarHBondContact O-N 3.48Å; E207-E210 PolarHBondContact O-N 2.84Å; T208-E210 VanDerWaalsContact C-N 3.34Å; T208-E210 PolarHBondContact O-N 2.77Å
211R88.4Confident89.2Confident121 Ų12162.6 Ų62.646%0.45730%0.303SS..Hα-helixtrans-64.9-41.6176.2-63.1172.1-160.2-174.711.6111E207 T208 L209E207-R211 WeakPolarHBondContact O-CG 3.34Å; E207-R211 PolarHBondContact O-N 3.14Å; E207-R211 IonicContact OE2-NH2 3.47Å; E207-R211 PolarHBondContact OE2-NH2 2.98Å; T208-R211 PolarHBondContact O-N 2.86Å; L209-R211 PolarHBondContact O-N 2.82Å
212F89.8Confident89.1Confident3 Ų364.7 Ų64.71%0.01331%0.313CS..Hα-helixtrans-83.6-15179.8-74.6-67.7000115.3V176 A179 R180 I198 T208 L209 K214 T215 L256V176-F212 HydrophobicContact CG1-CE2 3.97Å; V176-F212 HydrophobicContact CG1-CZ 4.05Å; A179-F212 HydrophobicContact CB-CZ 4.15Å; R180-F212 HydrophobicContact CB-CE1 3.95Å; R180-F212 HydrophobicContact CB-CZ 4.49Å; R180-F212 HydrophobicContact CG-CE1 4.48Å; I198-F212 HydrophobicContact CD1-CD1 4.22Å; I198-F212 HydrophobicContact CD1-CE1 3.82Å; I198-F212 HydrophobicContact CD1-CZ 4.35Å; I198-F212 HydrophobicContact CG1-CD1 4.36Å; I198-F212 HydrophobicContact CG1-CE1 3.86Å; I198-F212 HydrophobicContact CG1-CE2 4.41Å; I198-F212 HydrophobicContact CG1-CZ 3.9Å; I198-F212 HydrophobicContact CG2-CB 4.16Å; I198-F212 HydrophobicContact CG2-CD1 3.82Å; I198-F212 HydrophobicContact CG2-CD2 3.84Å; I198-F212 HydrophobicContact CG2-CE1 4.13Å; I198-F212 HydrophobicContact CG2-CE2 4.15Å; I198-F212 HydrophobicContact CG2-CG 3.68Å; I198-F212 HydrophobicContact CG2-CZ 4.3Å; T208-F212 HydrophobicContact CG2-CD2 3.54Å; T208-F212 HydrophobicContact CG2-CE2 3.49Å; T208-F212 VanDerWaalsContact CG2-CE2 3.49Å; T208-F212 VanDerWaalsContact O-CD2 3.31Å; T208-F212 WeakPolarHBondContact O-CD2 3.43Å; T208-F212 PolarHBondContact O-N 2.97Å; L209-F212 PolarHBondContact O-N 3.17Å; F212-K214 PolarHBondContact O-N 2.83Å; F212-T215 PolarHBondContact O-N 3.34Å; F212-T215 PolarHBondContact O-OG1 2.7Å; F212-L256 HydrophobicContact CB-CD2 3.97Å
213R89.4Confident89.1Confident56 Ų5664.4 Ų64.421%0.21131%0.311CS..Hα-helixtrans-55.1-32.8168.1-85.2172.6179.7149.8-0.8112.2L209 T215 V216 L256 R258L209-R213 HydrophobicContact CD2-CG 4Å; L209-R213 WeakPolarHBondContact O-CG 3.36Å; L209-R213 PolarHBondContact O-N 2.81Å; R213-T215 PolarHBondContact O-N 3.05Å; R213-V216 WeakPolarHBondContact O-CB 3.33Å; R213-V216 VanDerWaalsContact O-CG2 3.29Å; R213-V216 WeakPolarHBondContact O-CG2 3.38Å; R213-V216 PolarHBondContact O-N 2.85Å; R213-L256 HydrophobicContact CG-CD2 4.4Å; R213-L256 PolarHBondContact NE-O 2.86Å; R213-R258 PolarHBondContact NH2-O 3.13Å
214K88Confident89.1Confident171 Ų17161.9 Ų61.974%0.74330%0.299SS*.THydrogen-bonded Turntrans-67.1-19.1177-62.4-178.3-177.9178.30113.9F212F212-K214 PolarHBondContact O-N 2.83Å
215T88.3Confident89.1Confident2 Ų258.4 Ų58.41%0.01230%0.298CS..THydrogen-bonded Turntrans-95.85.8176.449.50000113.5R180 L183 F212 R213 D218 L219R180-T215 HydrophobicContact CG-CG2 4.39Å; L183-T215 HydrophobicContact CD1-CG2 4.45Å; F212-T215 PolarHBondContact O-N 3.34Å; F212-T215 PolarHBondContact O-OG1 2.7Å; R213-T215 PolarHBondContact O-N 3.05Å; T215-D218 PolarHBondContact O-N 2.92Å; T215-L219 WeakPolarHBondContact O-CG 3.21Å; T215-L219 PolarHBondContact O-N 2.89Å; T215-L219 VanDerWaalsContact O-N 3.13Å
216V90.9Very high89.2Confident1 Ų157.2 Ų57.21%0.00629%0.288CS..Hα-helixtrans-56.5-44.6174.1168.10000112.6R213 D218 L219 V220 L253 L256 A263 A266 M267R213-V216 WeakPolarHBondContact O-CB 3.33Å; R213-V216 VanDerWaalsContact O-CG2 3.29Å; R213-V216 WeakPolarHBondContact O-CG2 3.38Å; R213-V216 PolarHBondContact O-N 2.85Å; V216-D218 VanDerWaalsContact C-N 3.31Å; V216-D218 PolarHBondContact O-N 2.91Å; V216-L219 PolarHBondContact O-N 3.17Å; V216-V220 HydrophobicContact CG1-CG2 4.24Å; V216-V220 VanDerWaalsContact O-CG2 3.31Å; V216-V220 WeakPolarHBondContact O-CG2 3.47Å; V216-V220 PolarHBondContact O-N 3.23Å; V216-L253 HydrophobicContact CG1-CD2 3.93Å; V216-L253 HydrophobicContact CG2-CD2 4.47Å; V216-L256 HydrophobicContact CG2-CB 3.89Å; V216-L256 HydrophobicContact CG2-CD1 3.7Å; V216-L256 HydrophobicContact CG2-CG 4.39Å; V216-A263 HydrophobicContact CG2-CB 4.46Å; V216-A266 HydrophobicContact CG1-CB 4.24Å; V216-M267 HydrophobicContact CG1-CE 4.01Å
217P91.3Very high89.2Confident72 Ų7253.5 Ų53.547%0.46826%0.263SS..Hα-helixtrans-60.6-37.9177.4-24.936.2000113.4V220 Q221P217-V220 PolarHBondContact O-N 3.08Å; P217-Q221 PolarHBondContact O-N 3.38Å
218D91.2Very high89.1Confident78 Ų7853.5 Ų53.542%0.41727%0.266SS..Hα-helixtrans-63.8-46.7177.7-52.3-36.9000110.6T215 V216 V220 Q221 I222T215-D218 PolarHBondContact O-N 2.92Å; V216-D218 VanDerWaalsContact C-N 3.31Å; V216-D218 PolarHBondContact O-N 2.91Å; D218-V220 VanDerWaalsContact C-N 3.31Å; D218-V220 PolarHBondContact O-N 3.18Å; D218-Q221 PolarHBondContact O-N 3.07Å; D218-I222 VanDerWaalsContact O-CG1 3.3Å; D218-I222 WeakPolarHBondContact O-CG1 3.36Å; D218-I222 PolarHBondContact O-N 3.11Å
219L91.9Very high88.7Confident2 Ų256.5 Ų56.51%0.0129%0.287CS..Hα-helixtrans-61.6-38.4175.2-68170.1000111.9L183 V195 T215 V216 I222 M223 I249 L252 L253 L256L183-L219 HydrophobicContact CD1-CD2 4.36Å; L183-L219 HydrophobicContact CD2-CD2 3.85Å; V195-L219 HydrophobicContact CG2-CD2 4.38Å; T215-L219 WeakPolarHBondContact O-CG 3.21Å; T215-L219 PolarHBondContact O-N 2.89Å; T215-L219 VanDerWaalsContact O-N 3.13Å; V216-L219 PolarHBondContact O-N 3.17Å; L219-I222 PolarHBondContact O-N 3.12Å; L219-M223 WeakPolarHBondContact O-CB 3.43Å; L219-M223 PolarHBondContact O-N 2.84Å; L219-I249 HydrophobicContact CB-CG2 4.36Å; L219-L252 HydrophobicContact CD1-CD2 3.62Å; L219-L252 HydrophobicContact CD1-CG 4.1Å; L219-L252 HydrophobicContact CD2-CD2 4.24Å; L219-L253 HydrophobicContact CB-CD2 4.3Å; L219-L256 HydrophobicContact CD1-CD1 3.87Å
220V92.6Very high87.5Confident13 Ų1358 Ų588%0.07931%0.309CS..Hα-helixtrans-64.3-44.7175.5165.70000110.9V216 P217 D218 M223 K224 L253 M267 L270V216-V220 HydrophobicContact CG1-CG2 4.24Å; V216-V220 VanDerWaalsContact O-CG2 3.31Å; V216-V220 WeakPolarHBondContact O-CG2 3.47Å; V216-V220 PolarHBondContact O-N 3.23Å; P217-V220 PolarHBondContact O-N 3.08Å; D218-V220 VanDerWaalsContact C-N 3.31Å; D218-V220 PolarHBondContact O-N 3.18Å; V220-M223 PolarHBondContact O-N 2.8Å; V220-K224 HydrophobicContact CG1-CD 4.4Å; V220-K224 WeakPolarHBondContact O-CG 3.17Å; V220-K224 PolarHBondContact O-N 3.41Å; V220-L253 HydrophobicContact CG2-CD2 4.31Å; V220-M267 HydrophobicContact CG2-CB 4.04Å; V220-L270 HydrophobicContact CB-CD2 4.18Å; V220-L270 HydrophobicContact CG1-CB 4.07Å; V220-L270 HydrophobicContact CG1-CD2 4.13Å; V220-L270 HydrophobicContact CG2-CD2 3.87Å
221Q91.3Very high87.1Confident146 Ų14659.7 Ų59.768%0.68231%0.311SS*.Hα-helixtrans-64.4-41.6177.4-175.4173.9-6.700112.1P217 D218 K224 G225P217-Q221 PolarHBondContact O-N 3.38Å; D218-Q221 PolarHBondContact O-N 3.07Å; Q221-K224 PolarHBondContact O-N 3.07Å; Q221-G225 PolarHBondContact O-N 3.47Å
222I90.8Very high86.7Confident45 Ų4555.4 Ų55.423%0.23130%0.3CS..Hα-helixtrans-58.7-49.2173.6-70.7167.1000110.4L191 D218 L219 G225 L226 I249L191-I222 HydrophobicContact CD1-CD1 4.4Å; L191-I222 HydrophobicContact CD2-CG2 3.88Å; D218-I222 VanDerWaalsContact O-CG1 3.3Å; D218-I222 WeakPolarHBondContact O-CG1 3.36Å; D218-I222 PolarHBondContact O-N 3.11Å; L219-I222 PolarHBondContact O-N 3.12Å; I222-G225 WeakPolarHBondContact O-CA 3.23Å; I222-G225 PolarHBondContact O-N 3Å; I222-G225 VanDerWaalsContact O-N 3.13Å; I222-L226 PolarHBondContact O-N 2.86Å; I222-L226 VanDerWaalsContact O-N 3.09Å; I222-I249 HydrophobicContact CG2-CD1 3.8Å
223M90.6Very high86.3Confident0 Ų060 Ų600%033%0.33CS..Hα-helixtrans-63-43.1179.2-172.674.318000112.2L219 V220 G225 L226 V227 Q246 I249 L250 L270 V274L219-M223 WeakPolarHBondContact O-CB 3.43Å; L219-M223 PolarHBondContact O-N 2.84Å; V220-M223 PolarHBondContact O-N 2.8Å; M223-G225 PolarHBondContact O-N 3.1Å; M223-L226 PolarHBondContact O-N 3.47Å; M223-L226 VanDerWaalsContact O-N 3.07Å; M223-V227 HydrophobicContact CE-CG2 4.16Å; M223-V227 HydrophobicContact CG-CG2 4.44Å; M223-V227 WeakPolarHBondContact O-CG2 3.31Å; M223-V227 PolarHBondContact O-N 3.47Å; M223-Q246 HydrophobicContact CE-CB 3.71Å; M223-Q246 HydrophobicContact CE-CG 3.76Å; M223-Q246 HydrophobicContact SD-CB 3.96Å; M223-Q246 HydrophobicContact SD-CG 3.82Å; M223-I249 HydrophobicContact CB-CG2 4.16Å; M223-I249 HydrophobicContact SD-CB 4.27Å; M223-I249 HydrophobicContact SD-CD1 4.46Å; M223-I249 HydrophobicContact SD-CG2 4.35Å; M223-L250 HydrophobicContact CE-CD1 3.93Å; M223-L250 HydrophobicContact CE-CD2 4.23Å; M223-L250 HydrophobicContact CE-CG 3.92Å; M223-L270 HydrophobicContact CB-CD1 3.95Å; M223-L270 HydrophobicContact CB-CD2 3.77Å; M223-L270 HydrophobicContact CG-CD1 3.57Å; M223-L270 HydrophobicContact CG-CD2 3.79Å; M223-L270 HydrophobicContact CG-CG 4.18Å; M223-V274 HydrophobicContact CE-CG1 4.45Å; M223-V274 HydrophobicContact CE-CG2 3.84Å
224K89.7Confident86Confident56 Ų5664.3 Ų64.324%0.24336%0.357CS..Hα-helixtrans-58.1-39173.5-73.3-171.7175.2-173.50111.5V220 Q221 V227 I228 D269 L270V220-K224 HydrophobicContact CG1-CD 4.4Å; V220-K224 WeakPolarHBondContact O-CG 3.17Å; V220-K224 PolarHBondContact O-N 3.41Å; Q221-K224 PolarHBondContact O-N 3.07Å; K224-V227 PolarHBondContact O-N 3.19Å; K224-I228 HydrophobicContact CB-CD1 4.48Å; K224-I228 WeakPolarHBondContact O-CB 3.15Å; K224-I228 WeakPolarHBondContact O-CD1 3.5Å; K224-I228 VanDerWaalsContact O-CG1 3.25Å; K224-I228 WeakPolarHBondContact O-CG1 3.23Å; K224-I228 PolarHBondContact O-N 3.44Å; K224-D269 WeakPolarHBondContact CE-OD2 3.31Å; K224-D269 IonicContact NZ-OD2 2.67Å; K224-D269 PolarHBondContact NZ-OD2 3.36Å; K224-L270 HydrophobicContact CG-CD1 3.84Å
225G88.3Confident86Confident39 Ų3959 Ų5940%0.40234%0.335SS..Hα-helixtrans-56.4-47.2171.700000112.9Q221 I222 M223 S229Q221-G225 PolarHBondContact O-N 3.47Å; I222-G225 WeakPolarHBondContact O-CA 3.23Å; I222-G225 PolarHBondContact O-N 3Å; I222-G225 VanDerWaalsContact O-N 3.13Å; M223-G225 PolarHBondContact O-N 3.1Å; G225-S229 WeakPolarHBondContact O-CB 3.22Å; G225-S229 PolarHBondContact O-N 2.92Å
226L87.8Confident86Confident15 Ų1561 Ų618%0.07935%0.345CS..Hα-helixtrans-66.9-37.3178.9-63172.7000113.3H188 I222 M223 L245 Q246 I249H188-L226 VanDerWaalsContact CE1-CD2 3.43Å; H188-L226 WeakPolarHBondContact CE1-CD2 3.42Å; I222-L226 PolarHBondContact O-N 2.86Å; I222-L226 VanDerWaalsContact O-N 3.09Å; M223-L226 PolarHBondContact O-N 3.47Å; M223-L226 VanDerWaalsContact O-N 3.07Å; L226-L245 HydrophobicContact CD1-CB 4.43Å; L226-L245 HydrophobicContact CD1-CD2 3.74Å; L226-L245 HydrophobicContact CD1-CG 3.86Å; L226-L245 HydrophobicContact CD2-CD2 4.38Å; L226-Q246 HydrophobicContact CB-CG 4.18Å; L226-Q246 HydrophobicContact CD1-CG 4.05Å; L226-I249 HydrophobicContact CD1-CD1 4.01Å
227V86Confident85.9Confident29 Ų2963.8 Ų63.818%0.17636%0.362CS..Hα-helixtrans-74.4-35.3-179.8176.90000111.9M223 K224 V274M223-V227 HydrophobicContact CE-CG2 4.16Å; M223-V227 HydrophobicContact CG-CG2 4.44Å; M223-V227 WeakPolarHBondContact O-CG2 3.31Å; M223-V227 PolarHBondContact O-N 3.47Å; K224-V227 PolarHBondContact O-N 3.19Å; V227-V274 HydrophobicContact CG2-CG2 3.83Å
228I84.5Confident85.6Confident121 Ų12163.4 Ų63.462%0.62137%0.366SS*.Hα-helixtrans-85-32.1-179.8-63.2167.7000111.5K224 G230K224-I228 HydrophobicContact CB-CD1 4.48Å; K224-I228 WeakPolarHBondContact O-CB 3.15Å; K224-I228 WeakPolarHBondContact O-CD1 3.5Å; K224-I228 VanDerWaalsContact O-CG1 3.25Å; K224-I228 WeakPolarHBondContact O-CG1 3.23Å; K224-I228 PolarHBondContact O-N 3.44Å; I228-G230 VanDerWaalsContact C-N 3.25Å; I228-G230 PolarHBondContact O-N 2.9Å
229S76.3Confident85.2Confident67 Ų6762.4 Ų62.447%0.46937%0.373SS..  trans-75.977.1175.5-168.20000110.2G225 Y231 S241G225-S229 WeakPolarHBondContact O-CB 3.22Å; G225-S229 PolarHBondContact O-N 2.92Å; S229-Y231 PolarHBondContact O-N 2.96Å; S229-S241 WeakPolarHBondContact O-CB 3.17Å; S229-S241 PolarHBondContact O-OG 3.44Å
230G64.4Low85Confident58 Ų5863.1 Ų63.160%0.59838%0.378SS*.  trans-67.95.3-170.300000117.1I228I228-G230 VanDerWaalsContact C-N 3.25Å; I228-G230 PolarHBondContact O-N 2.9Å
231Y77Confident84.8Confident159 Ų15962.8 Ų62.862%0.62438%0.376SS*.  trans-158.9130.7171.7-172.4-117.2000112.7S229 P233 D236S229-Y231 PolarHBondContact O-N 2.96Å; Y231-P233 HydrophobicContact CD1-CG 4.49Å; Y231-P233 HydrophobicContact CE1-CG 3.83Å; Y231-D236 HydrophobicContact CD2-CB 4.18Å; Y231-D236 HydrophobicContact CE2-CB 4.17Å
232S80.5Confident84.8Confident31 Ų3156.7 Ų56.722%0.21735%0.348CS..  trans-140.6116.2169-1790000109.9D234 H235 D236S232-D234 VanDerWaalsContact C-N 3.28Å; S232-D234 PolarHBondContact O-N 3.14Å; S232-D234 VanDerWaalsContact O-N 3.14Å; S232-H235 PolarHBondContact O-N 2.93Å; S232-D236 WeakPolarHBondContact O-CB 3.24Å; S232-D236 PolarHBondContact O-N 2.75Å
233P81.4Confident84.9Confident98 Ų9855 Ų5564%0.63634%0.34SS*.THydrogen-bonded Turntrans-56.4-34-170.4-28.634.6000115.9Y231Y231-P233 HydrophobicContact CD1-CG 4.49Å; Y231-P233 HydrophobicContact CE1-CG 3.83Å
234D84Confident85.1Confident147 Ų14761.8 Ų61.879%0.78637%0.37SS*.THydrogen-bonded Turntrans-86-13.5-177.8-68.3-35.3000113.4S232S232-D234 VanDerWaalsContact C-N 3.28Å; S232-D234 PolarHBondContact O-N 3.14Å; S232-D234 VanDerWaalsContact O-N 3.14Å
235H86.4Confident85.3Confident60 Ų6059.1 Ų59.128%0.27836%0.358SS..THydrogen-bonded Turntrans-134.1-7.7-165.1-58.9-23.5000114.3H188 S232 D242H188-H235 AromaticContact CD2-CD2 3.73Å; H188-H235 AromaticContact CD2-NE2 3.96Å; H188-H235 AromaticContact CE1-CD2 3.64Å; H188-H235 AromaticContact CG-CD2 3.39Å; H188-H235 AromaticContact CG-NE2 3.64Å; H188-H235 AromaticContact ND1-CD2 3.34Å; H188-H235 PolarHBondContact ND1-CD2 3.22Å; H188-H235 VanDerWaalsContact ND1-CD2 3.34Å; H188-H235 AromaticContact ND1-CG 3.98Å; H188-H235 AromaticContact NE2-CD2 3.88Å; S232-H235 PolarHBondContact O-N 2.93Å; H235-D242 HydrophobicContact CB-CB 4.16Å; H235-D242 WeakPolarHBondContact O-CA 3.41Å; H235-D242 PolarHBondContact O-N 3.5Å
236D89.6Confident85.6Confident43 Ų4357.5 Ų57.523%0.2334%0.34CS..BIsolated β-bridgetrans-68.8134.7172-17675.5000111.6Y231 S232 A238 G239 V240Y231-D236 HydrophobicContact CD2-CB 4.18Å; Y231-D236 HydrophobicContact CE2-CB 4.17Å; S232-D236 WeakPolarHBondContact O-CB 3.24Å; S232-D236 PolarHBondContact O-N 2.75Å; D236-A238 PolarHBondContact OD2-N 3.37Å; D236-G239 WeakPolarHBondContact OD1-CA 3.32Å; D236-G239 PolarHBondContact OD1-N 2.99Å; D236-G239 PolarHBondContact OD2-N 2.91Å; D236-V240 PolarHBondContact OD1-N 3.13Å
237V88.7Confident86Confident60 Ų6058.2 Ų58.236%0.36435%0.345SS..SBendtrans-128.998.3167.9-169.80000109.2V240 P243 V284V237-V240 PolarHBondContact N-O 3.37Å; V237-P243 HydrophobicContact CB-CG 4.13Å; V237-P243 HydrophobicContact CG2-CG 4.12Å; V237-V284 HydrophobicContact CB-CG2 4.48Å; V237-V284 HydrophobicContact CG1-CG2 3.92Å
238A84.8Confident86.4Confident65 Ų6561 Ų6154%0.53735%0.352SS..SBendtrans62.240.6178.300000114.4D236D236-A238 PolarHBondContact OD2-N 3.37Å
239G83.7Confident87Confident56 Ų5655.2 Ų55.258%0.57732%0.323SS*.SBendtrans86.117.817900000114.5D236D236-G239 WeakPolarHBondContact OD1-CA 3.32Å; D236-G239 PolarHBondContact OD1-N 2.99Å; D236-G239 PolarHBondContact OD2-N 2.91Å
240V86.9Confident87.9Confident17 Ų1752 Ų5210%0.10330%0.301CS..  trans-126.6117.8174.1-176.60000109.1D236 V237 D242 P243 V284 V288D236-V240 PolarHBondContact OD1-N 3.13Å; V237-V240 PolarHBondContact N-O 3.37Å; V240-D242 PolarHBondContact O-N 2.88Å; V240-P243 HydrophobicContact CG1-CB 4.17Å; V240-V284 HydrophobicContact CB-CG1 3.9Å; V240-V284 HydrophobicContact CG1-CG1 4.24Å; V240-V284 HydrophobicContact CG2-CG1 4.11Å; V240-V288 HydrophobicContact CG1-CG2 4.49Å
241S88.6Confident89.4Confident6 Ų653 Ų534%0.04229%0.286CS..BIsolated β-bridgetrans-72.7111179.1-67.30000112.8S229 Q246S229-S241 WeakPolarHBondContact O-CB 3.17Å; S229-S241 PolarHBondContact O-OG 3.44Å; S241-Q246 PolarHBondContact O-NE2 3.27Å
242D91.6Very high90.3Very high18 Ų1845.4 Ų45.410%0.09626%0.256CS..  trans48.366.6178.6-158-18000115.3H188 H235 V240 F244 L245 Q246H188-D242 WeakPolarHBondContact CB-OD2 3.47Å; H188-D242 IonicContact CE1-OD2 2.76Å; H188-D242 IonicContact CG-OD2 2.7Å; H188-D242 IonicContact ND1-OD2 3.12Å; H188-D242 PolarHBondContact ND1-OD2 3.4Å; H235-D242 HydrophobicContact CB-CB 4.16Å; H235-D242 WeakPolarHBondContact O-CA 3.41Å; H235-D242 PolarHBondContact O-N 3.5Å; V240-D242 PolarHBondContact O-N 2.88Å; D242-F244 PolarHBondContact O-N 3.2Å; D242-F244 PolarHBondContact OD1-N 2.83Å; D242-L245 HydrophobicContact CB-CB 4.15Å; D242-L245 PolarHBondContact O-N 3.38Å; D242-L245 WeakPolarHBondContact OD1-CB 3.34Å; D242-L245 PolarHBondContact OD1-N 3.02Å; D242-L245 WeakPolarHBondContact OD2-CB 3.44Å; D242-Q246 WeakPolarHBondContact O-CG 3.45Å; D242-Q246 PolarHBondContact O-N 3.38Å
243P92.9Very high90.9Very high11 Ų1143.9 Ų43.97%0.07125%0.246CC..Hα-helixtrans-62-25.8179.528.8-38.3000113V237 V240 V247 V284 V288V237-P243 HydrophobicContact CB-CG 4.13Å; V237-P243 HydrophobicContact CG2-CG 4.12Å; V240-P243 HydrophobicContact CG1-CB 4.17Å; P243-V247 WeakPolarHBondContact O-CB 3.26Å; P243-V247 VanDerWaalsContact O-CG2 3.31Å; P243-V247 WeakPolarHBondContact O-CG2 3.5Å; P243-V247 PolarHBondContact O-N 3Å; P243-V284 HydrophobicContact CB-CG1 3.41Å; P243-V284 VanDerWaalsContact CB-CG1 3.41Å; P243-V284 HydrophobicContact CG-CG1 3.52Å; P243-V288 HydrophobicContact CB-CG2 4.06Å
244F94.5Very high91.5Very high141 Ų14141 Ų4162%0.61822%0.223SC*.Hα-helixtrans-70.7-47.3179.5-61.4-75000111D242 R248D242-F244 PolarHBondContact O-N 3.2Å; D242-F244 PolarHBondContact OD1-N 2.83Å; F244-R248 WeakPolarHBondContact O-CG 3.35Å; F244-R248 PolarHBondContact O-N 3.46Å; F244-R248 VanDerWaalsContact O-N 3.1Å
245L93.9Very high92Very high0 Ų035 Ų350%019%0.19CC..Hα-helixtrans-63.8-43.2174.4179.357.6000111.3H188 L191 H192 V195 L226 D242 V247 R248 I249H188-L245 HydrophobicContact CB-CD2 4.41Å; L191-L245 HydrophobicContact CD2-CD1 4.48Å; L191-L245 HydrophobicContact CD2-CD2 3.88Å; L191-L245 HydrophobicContact CG-CD1 4.08Å; L191-L245 HydrophobicContact CG-CD2 4.29Å; H192-L245 HydrophobicContact CB-CD1 4.2Å; V195-L245 HydrophobicContact CG2-CD1 4.39Å; L226-L245 HydrophobicContact CD1-CB 4.43Å; L226-L245 HydrophobicContact CD1-CD2 3.74Å; L226-L245 HydrophobicContact CD1-CG 3.86Å; L226-L245 HydrophobicContact CD2-CD2 4.38Å; D242-L245 HydrophobicContact CB-CB 4.15Å; D242-L245 PolarHBondContact O-N 3.38Å; D242-L245 WeakPolarHBondContact OD1-CB 3.34Å; D242-L245 PolarHBondContact OD1-N 3.02Å; D242-L245 WeakPolarHBondContact OD2-CB 3.44Å; L245-V247 PolarHBondContact O-N 3.26Å; L245-R248 PolarHBondContact O-N 3.49Å; L245-R248 VanDerWaalsContact O-N 3.14Å; L245-I249 HydrophobicContact CD1-CD1 3.91Å; L245-I249 HydrophobicContact CD1-CG1 4.06Å; L245-I249 HydrophobicContact CG-CD1 3.84Å; L245-I249 HydrophobicContact CG-CG1 4.42Å; L245-I249 WeakPolarHBondContact O-CG1 3.49Å; L245-I249 PolarHBondContact O-N 3.21Å
246Q93.7Very high92.3Very high6 Ų632.1 Ų32.13%0.02818%0.177CC..Hα-helixtrans-54-52175.6-74.7-169.531.100112.3M223 L226 S241 D242 R248 I249 L250 V288M223-Q246 HydrophobicContact CE-CB 3.71Å; M223-Q246 HydrophobicContact CE-CG 3.76Å; M223-Q246 HydrophobicContact SD-CB 3.96Å; M223-Q246 HydrophobicContact SD-CG 3.82Å; L226-Q246 HydrophobicContact CB-CG 4.18Å; L226-Q246 HydrophobicContact CD1-CG 4.05Å; S241-Q246 PolarHBondContact O-NE2 3.27Å; D242-Q246 WeakPolarHBondContact O-CG 3.45Å; D242-Q246 PolarHBondContact O-N 3.38Å; Q246-R248 VanDerWaalsContact C-N 3.31Å; Q246-R248 PolarHBondContact O-N 3.2Å; Q246-I249 PolarHBondContact O-N 3.11Å; Q246-L250 WeakPolarHBondContact O-CG 3.46Å; Q246-L250 PolarHBondContact O-N 3.24Å; Q246-V288 HydrophobicContact CB-CG2 4.35Å
247V96.1Very high92.2Very high30 Ų3030 Ų3018%0.18217%0.166CC..Hα-helixtrans-61.9-36.1177.6167.50000112P243 L245 R251 V288 E291P243-V247 WeakPolarHBondContact O-CB 3.26Å; P243-V247 VanDerWaalsContact O-CG2 3.31Å; P243-V247 WeakPolarHBondContact O-CG2 3.5Å; P243-V247 PolarHBondContact O-N 3Å; L245-V247 PolarHBondContact O-N 3.26Å; V247-R251 WeakPolarHBondContact O-CB 3.49Å; V247-R251 PolarHBondContact O-N 2.86Å; V247-V288 HydrophobicContact CG2-CG2 4.26Å; V247-E291 HydrophobicContact CG1-CB 4.08Å; V247-E291 HydrophobicContact CG1-CG 4.03Å; V247-E291 HydrophobicContact CG2-CB 4.35Å
248R95.9Very high92.2Very high86 Ų8633.7 Ų33.733%0.32517%0.173SC..Hα-helixtrans-69.1-40.5175.7-68.7-58.1-179.1177.9-6.7112.8H192 V195 V196 F244 L245 Q246 R251 L252H192-R248 WeakPolarHBondContact NE2-CG 3.31Å; V195-R248 HydrophobicContact CG1-CB 3.76Å; V195-R248 WeakPolarHBondContact CG1-O 3.38Å; V196-R248 HydrophobicContact CG2-CG 4.16Å; F244-R248 WeakPolarHBondContact O-CG 3.35Å; F244-R248 PolarHBondContact O-N 3.46Å; F244-R248 VanDerWaalsContact O-N 3.1Å; L245-R248 PolarHBondContact O-N 3.49Å; L245-R248 VanDerWaalsContact O-N 3.14Å; Q246-R248 VanDerWaalsContact C-N 3.31Å; Q246-R248 PolarHBondContact O-N 3.2Å; R248-R251 PolarHBondContact O-N 2.96Å; R248-L252 PolarHBondContact O-N 3.47Å
249I95.6Very high92.2Very high0 Ų036.7 Ų36.70%018%0.18CC..Hα-helixtrans-65-45.9176.2-66167000110V195 L219 I222 M223 L226 L245 Q246 R251 L252 L253V195-I249 HydrophobicContact CG1-CG1 4.4Å; V195-I249 HydrophobicContact CG2-CG1 4.1Å; L219-I249 HydrophobicContact CB-CG2 4.36Å; I222-I249 HydrophobicContact CG2-CD1 3.8Å; M223-I249 HydrophobicContact CB-CG2 4.16Å; M223-I249 HydrophobicContact SD-CB 4.27Å; M223-I249 HydrophobicContact SD-CD1 4.46Å; M223-I249 HydrophobicContact SD-CG2 4.35Å; L226-I249 HydrophobicContact CD1-CD1 4.01Å; L245-I249 HydrophobicContact CD1-CD1 3.91Å; L245-I249 HydrophobicContact CD1-CG1 4.06Å; L245-I249 HydrophobicContact CG-CD1 3.84Å; L245-I249 HydrophobicContact CG-CG1 4.42Å; L245-I249 WeakPolarHBondContact O-CG1 3.49Å; L245-I249 PolarHBondContact O-N 3.21Å; Q246-I249 PolarHBondContact O-N 3.11Å; I249-R251 VanDerWaalsContact C-N 3.34Å; I249-R251 PolarHBondContact O-N 3.04Å; I249-L252 PolarHBondContact O-N 3.35Å; I249-L253 HydrophobicContact CG2-CD1 3.91Å; I249-L253 HydrophobicContact CG2-CG 4.21Å; I249-L253 WeakPolarHBondContact O-CB 3.29Å; I249-L253 WeakPolarHBondContact O-CG 3.31Å; I249-L253 PolarHBondContact O-N 3.41Å
250L95.8Very high92.5Very high0 Ų036.1 Ų36.10%016%0.164CC..Hα-helixtrans-57.1-45.3175.4-71.3166000111.9M223 Q246 L252 L253 R254 L271 V288 E291 T292 T295M223-L250 HydrophobicContact CE-CD1 3.93Å; M223-L250 HydrophobicContact CE-CD2 4.23Å; M223-L250 HydrophobicContact CE-CG 3.92Å; Q246-L250 WeakPolarHBondContact O-CG 3.46Å; Q246-L250 PolarHBondContact O-N 3.24Å; L250-L252 PolarHBondContact O-N 2.85Å; L250-L253 PolarHBondContact O-N 3.25Å; L250-R254 PolarHBondContact O-N 3.42Å; L250-L271 HydrophobicContact CD2-CD2 3.69Å; L250-V288 HydrophobicContact CD1-CG1 4.03Å; L250-E291 HydrophobicContact CB-CB 4.38Å; L250-E291 HydrophobicContact CB-CG 3.91Å; L250-E291 HydrophobicContact CD1-CB 4.43Å; L250-T292 VanDerWaalsContact CD1-OG1 3.3Å; L250-T292 WeakPolarHBondContact CD1-OG1 3.5Å; L250-T295 PolarHBondContact O-OG1 2.99Å
251R96Very high92.6Very high78 Ų7840.6 Ų40.629%0.29418%0.183SC..Hα-helixtrans-60.3-43.2175.6-175.6162.9-63-176.57.7113.1V247 R248 I249 R254 I255 E291V247-R251 WeakPolarHBondContact O-CB 3.49Å; V247-R251 PolarHBondContact O-N 2.86Å; R248-R251 PolarHBondContact O-N 2.96Å; I249-R251 VanDerWaalsContact C-N 3.34Å; I249-R251 PolarHBondContact O-N 3.04Å; R251-R254 WeakPolarHBondContact O-CB 3.12Å; R251-R254 PolarHBondContact O-N 3.38Å; R251-I255 HydrophobicContact CG-CD1 4.26Å; R251-I255 WeakPolarHBondContact O-CD1 3.2Å; R251-I255 PolarHBondContact O-N 3.01Å; R251-E291 HydrophobicContact CB-CG 4.41Å; R251-E291 WeakPolarHBondContact CB-OE1 3.43Å; R251-E291 IonicContact CZ-OE1 2.71Å; R251-E291 IonicContact CZ-OE2 2.7Å; R251-E291 IonicContact NE-OE1 3.89Å; R251-E291 PolarHBondContact NE-OE1 2.97Å; R251-E291 IonicContact NE-OE2 2.66Å; R251-E291 IonicContact NH2-OE1 3.61Å; R251-E291 PolarHBondContact NH2-OE1 2.9Å; R251-E291 IonicContact NH2-OE2 2.95Å; R251-E291 PolarHBondContact NH2-OE2 3.05Å
252L95.2Very high92.6Very high0 Ų043.8 Ų43.80%021%0.21CC..Hα-helixtrans-65.1-43.6176.7175.656.7000111.2V195 I198 L219 R248 I249 L250 R254 I255 L256V195-L252 HydrophobicContact CG1-CB 4.06Å; V195-L252 HydrophobicContact CG1-CD2 3.93Å; I198-L252 HydrophobicContact CB-CD2 4.17Å; I198-L252 HydrophobicContact CG2-CD1 3.83Å; I198-L252 HydrophobicContact CG2-CD2 3.89Å; L219-L252 HydrophobicContact CD1-CD2 3.62Å; L219-L252 HydrophobicContact CD1-CG 4.1Å; L219-L252 HydrophobicContact CD2-CD2 4.24Å; R248-L252 PolarHBondContact O-N 3.47Å; I249-L252 PolarHBondContact O-N 3.35Å; L250-L252 PolarHBondContact O-N 2.85Å; L252-R254 VanDerWaalsContact C-N 3.32Å; L252-R254 PolarHBondContact O-N 2.93Å; L252-I255 PolarHBondContact O-N 3.3Å; L252-L256 HydrophobicContact CD1-CD1 3.86Å; L252-L256 HydrophobicContact CD1-CD2 4.49Å; L252-L256 HydrophobicContact CD1-CG 3.92Å; L252-L256 HydrophobicContact CD2-CD1 4.48Å; L252-L256 HydrophobicContact CG-CD1 3.81Å; L252-L256 HydrophobicContact CG-CG 4.32Å; L252-L256 WeakPolarHBondContact O-CG 3.24Å; L252-L256 PolarHBondContact O-N 2.83Å
253L94.6Very high92.5Very high0 Ų043.3 Ų43.30%021%0.208CC..Hα-helixtrans-58.2-42175.1-73.5174.6000111.7V216 L219 V220 I249 L250 I255 L256 G257 M267 L270V216-L253 HydrophobicContact CG1-CD2 3.93Å; V216-L253 HydrophobicContact CG2-CD2 4.47Å; L219-L253 HydrophobicContact CB-CD2 4.3Å; V220-L253 HydrophobicContact CG2-CD2 4.31Å; I249-L253 HydrophobicContact CG2-CD1 3.91Å; I249-L253 HydrophobicContact CG2-CG 4.21Å; I249-L253 WeakPolarHBondContact O-CB 3.29Å; I249-L253 WeakPolarHBondContact O-CG 3.31Å; I249-L253 PolarHBondContact O-N 3.41Å; L250-L253 PolarHBondContact O-N 3.25Å; L253-I255 VanDerWaalsContact C-N 3.33Å; L253-I255 PolarHBondContact O-N 3.5Å; L253-L256 PolarHBondContact O-N 3.06Å; L253-G257 PolarHBondContact O-N 2.89Å; L253-M267 HydrophobicContact CB-CE 4.1Å; L253-M267 HydrophobicContact CB-SD 3.81Å; L253-M267 HydrophobicContact CD2-CE 3.89Å; L253-M267 HydrophobicContact CD2-SD 4.33Å; L253-M267 WeakPolarHBondContact O-CE 3.46Å; L253-L270 HydrophobicContact CD1-CD2 3.82Å
254R94.1Very high92.4Very high38 Ų3842.8 Ų42.814%0.14321%0.205CC..Hα-helixtrans-53.8-48.1174-171.8175.870.6-133.6-6.6112.4L250 R251 L252 R258 E291 L294 T295 D298L250-R254 PolarHBondContact O-N 3.42Å; R251-R254 WeakPolarHBondContact O-CB 3.12Å; R251-R254 PolarHBondContact O-N 3.38Å; L252-R254 VanDerWaalsContact C-N 3.32Å; L252-R254 PolarHBondContact O-N 2.93Å; R254-R258 PolarHBondContact O-N 3.18Å; R254-R258 VanDerWaalsContact O-N 3.13Å; R254-E291 IonicContact CZ-OE1 3.72Å; R254-E291 IonicContact NH1-OE1 3.15Å; R254-E291 PolarHBondContact NH1-OE1 3.21Å; R254-E291 IonicContact NH2-OE1 3.26Å; R254-L294 VanDerWaalsContact CD-O 3.25Å; R254-L294 WeakPolarHBondContact CD-O 3.36Å; R254-T295 HydrophobicContact CB-CG2 3.91Å; R254-D298 WeakPolarHBondContact CD-OD2 3.48Å; R254-D298 HydrophobicContact CG-CB 3.73Å; R254-D298 WeakPolarHBondContact CG-OD2 3.34Å; R254-D298 IonicContact NE-OD2 3.58Å
255I93.5Very high92.2Very high19 Ų1940.9 Ų40.910%0.09720%0.202CC..Hα-helixtrans-69.7-41.5-177.9-62.9152.3000110.9T199 C202 E203 L209 R251 L252 L253 R258T199-I255 HydrophobicContact CG2-CD1 3.64Å; C202-I255 HydrophobicContact CB-CG2 4.09Å; E203-I255 HydrophobicContact CG-CD1 3.85Å; E203-I255 HydrophobicContact CG-CG1 4.42Å; E203-I255 HydrophobicContact CG-CG2 4.38Å; E203-I255 VanDerWaalsContact OE1-CD1 3.29Å; E203-I255 WeakPolarHBondContact OE1-CD1 3.33Å; L209-I255 HydrophobicContact CD1-CG2 4.17Å; R251-I255 HydrophobicContact CG-CD1 4.26Å; R251-I255 WeakPolarHBondContact O-CD1 3.2Å; R251-I255 PolarHBondContact O-N 3.01Å; L252-I255 PolarHBondContact O-N 3.3Å; L253-I255 VanDerWaalsContact C-N 3.33Å; L253-I255 PolarHBondContact O-N 3.5Å; I255-R258 PolarHBondContact O-N 3.07Å
256L92.1Very high92.1Very high0 Ų043.1 Ų43.10%022%0.22CC..Hα-helixtrans-68.2-38.1179.6-68.3174.5000113.1L209 F212 R213 V216 L219 L252 L253L209-L256 HydrophobicContact CD2-CD2 4.4Å; L209-L256 HydrophobicContact CG-CD2 4.31Å; F212-L256 HydrophobicContact CB-CD2 3.97Å; R213-L256 HydrophobicContact CG-CD2 4.4Å; R213-L256 PolarHBondContact NE-O 2.86Å; V216-L256 HydrophobicContact CG2-CB 3.89Å; V216-L256 HydrophobicContact CG2-CD1 3.7Å; V216-L256 HydrophobicContact CG2-CG 4.39Å; L219-L256 HydrophobicContact CD1-CD1 3.87Å; L252-L256 HydrophobicContact CD1-CD1 3.86Å; L252-L256 HydrophobicContact CD1-CD2 4.49Å; L252-L256 HydrophobicContact CD1-CG 3.92Å; L252-L256 HydrophobicContact CD2-CD1 4.48Å; L252-L256 HydrophobicContact CG-CD1 3.81Å; L252-L256 HydrophobicContact CG-CG 4.32Å; L252-L256 WeakPolarHBondContact O-CG 3.24Å; L252-L256 PolarHBondContact O-N 2.83Å; L253-L256 PolarHBondContact O-N 3.06Å
257G87.9Confident92Very high0 Ų042.9 Ų42.90%022%0.219CC..Hα-helixtrans-77.9-16.9177.500000114.4L253 N259 N260 S264L253-G257 PolarHBondContact O-N 2.89Å; G257-N259 PolarHBondContact O-N 3Å; G257-N260 PolarHBondContact O-N 3.44Å; G257-S264 PolarHBondContact O-OG 3.43Å
258R88.6Confident91.8Very high137 Ų13742.3 Ų42.352%0.51722%0.215SC..THydrogen-bonded Turntrans-58124.1178.8-161.1171.2-173.2-146.4-4.6110.4R213 R254 I255 N260 D298R213-R258 PolarHBondContact NH2-O 3.13Å; R254-R258 PolarHBondContact O-N 3.18Å; R254-R258 VanDerWaalsContact O-N 3.13Å; I255-R258 PolarHBondContact O-N 3.07Å; R258-N260 PolarHBondContact O-N 2.66Å; R258-D298 IonicContact NE-OD1 4Å; R258-D298 PolarHBondContact NE-OD1 3.09Å; R258-D298 IonicContact NE-OD2 2.82Å
259N85.3Confident91.6Very high128 Ų12843.1 Ų43.168%0.68423%0.225SC*.THydrogen-bonded Turntrans56.122.6-175.5-58-32.1000115.7G257G257-N259 PolarHBondContact O-N 3Å
260N89.4Confident91.5Very high44 Ų4443.1 Ų43.124%0.23523%0.226CC..  trans-133115.1176.2-169.3-71.6000111.8G257 R258 A262 A263 S264G257-N260 PolarHBondContact O-N 3.44Å; R258-N260 PolarHBondContact O-N 2.66Å; N260-A262 PolarHBondContact OD1-N 3.11Å; N260-A263 HydrophobicContact CB-CB 4.17Å; N260-A263 WeakPolarHBondContact OD1-CB 3.41Å; N260-A263 PolarHBondContact OD1-N 3.33Å; N260-S264 WeakPolarHBondContact O-CB 3.32Å; N260-S264 PolarHBondContact O-N 3.15Å; N260-S264 VanDerWaalsContact O-N 3.15Å; N260-S264 PolarHBondContact O-OG 3.12Å
261E88.5Confident91.4Very high111 Ų11143.1 Ų43.152%0.51923%0.226SC..Hα-helixtrans-72.7-49.8-174.6-72.8161-158.600111.4A263 S264 D265 K300E261-A263 VanDerWaalsContact C-N 3.29Å; E261-A263 PolarHBondContact O-N 3.35Å; E261-S264 CarbonylContact O-C 3.57Å; E261-S264 WeakPolarHBondContact O-CA 3.45Å; E261-S264 WeakPolarHBondContact O-CB 3.46Å; E261-S264 PolarHBondContact O-N 2.82Å; E261-D265 PolarHBondContact O-N 3.24Å; E261-K300 HydrophobicContact CG-CB 4.38Å; E261-K300 HydrophobicContact CG-CD 3.87Å; E261-K300 VanDerWaalsContact OE1-CD 3.27Å; E261-K300 WeakPolarHBondContact OE1-CD 3.48Å; E261-K300 IonicContact OE1-NZ 2.7Å; E261-K300 PolarHBondContact OE1-NZ 3.26Å
262A89.8Confident91.2Very high73 Ų7341.1 Ų41.160%0.60323%0.226SC*.Hα-helixtrans-57.7-3717900000114N260 A266N260-A262 PolarHBondContact OD1-N 3.11Å; A262-A266 PolarHBondContact O-N 3.27Å
263A89.3Confident91Very high7 Ų743.2 Ų43.26%0.05824%0.235CC..Hα-helixtrans-71.8-37.2173.600000112.3V216 N260 E261 M267V216-A263 HydrophobicContact CG2-CB 4.46Å; N260-A263 HydrophobicContact CB-CB 4.17Å; N260-A263 WeakPolarHBondContact OD1-CB 3.41Å; N260-A263 PolarHBondContact OD1-N 3.33Å; E261-A263 VanDerWaalsContact C-N 3.29Å; E261-A263 PolarHBondContact O-N 3.35Å; A263-M267 WeakPolarHBondContact O-CE 3.3Å; A263-M267 WeakPolarHBondContact O-CG 3.38Å; A263-M267 PolarHBondContact O-N 2.97Å
264S90.8Very high90.9Very high0 Ų043.2 Ų43.20%024%0.235CC..Hα-helixtrans-65-43.9175.5-59.60000111.2G257 N260 E261 A266 M267 N268G257-S264 PolarHBondContact O-OG 3.43Å; N260-S264 WeakPolarHBondContact O-CB 3.32Å; N260-S264 PolarHBondContact O-N 3.15Å; N260-S264 VanDerWaalsContact O-N 3.15Å; N260-S264 PolarHBondContact O-OG 3.12Å; E261-S264 CarbonylContact O-C 3.57Å; E261-S264 WeakPolarHBondContact O-CA 3.45Å; E261-S264 WeakPolarHBondContact O-CB 3.46Å; E261-S264 PolarHBondContact O-N 2.82Å; S264-A266 VanDerWaalsContact C-N 3.35Å; S264-A266 PolarHBondContact O-N 3.34Å; S264-M267 WeakPolarHBondContact O-CG 3.3Å; S264-M267 PolarHBondContact O-N 3.31Å; S264-M267 VanDerWaalsContact O-N 3.1Å; S264-N268 VanDerWaalsContact O-CG 3.22Å; S264-N268 PolarHBondContact O-N 2.94Å; S264-N268 PolarHBondContact O-ND2 3.38Å; S264-N268 PolarHBondContact O-OD1 3.3Å
265D90.6Very high90.8Very high102 Ų10242.1 Ų42.155%0.54524%0.235SC..Hα-helixtrans-61.6-41.8177.8-67.3-27.9000112.1E261 M267 N268E261-D265 PolarHBondContact O-N 3.24Å; D265-M267 PolarHBondContact O-N 2.98Å; D265-N268 PolarHBondContact O-N 3.28Å; D265-N268 PolarHBondContact OD1-ND2 2.83Å
266A90.6Very high90.6Very high47 Ų4745.7 Ų45.739%0.38826%0.257SS..Hα-helixtrans-62.7-21.4176.400000114.1V216 A262 S264V216-A266 HydrophobicContact CG1-CB 4.24Å; A262-A266 PolarHBondContact O-N 3.27Å; S264-A266 VanDerWaalsContact C-N 3.35Å; S264-A266 PolarHBondContact O-N 3.34Å
267M92.9Very high90.5Very high0 Ų050.5 Ų50.50%028%0.283CS..Hα-helixtrans-107.9-12.2179.268.5179.680.300114.8V216 V220 L253 A263 S264 D265 D269 L270 L271 I299V216-M267 HydrophobicContact CG1-CE 4.01Å; V220-M267 HydrophobicContact CG2-CB 4.04Å; L253-M267 HydrophobicContact CB-CE 4.1Å; L253-M267 HydrophobicContact CB-SD 3.81Å; L253-M267 HydrophobicContact CD2-CE 3.89Å; L253-M267 HydrophobicContact CD2-SD 4.33Å; L253-M267 WeakPolarHBondContact O-CE 3.46Å; A263-M267 WeakPolarHBondContact O-CE 3.3Å; A263-M267 WeakPolarHBondContact O-CG 3.38Å; A263-M267 PolarHBondContact O-N 2.97Å; S264-M267 WeakPolarHBondContact O-CG 3.3Å; S264-M267 PolarHBondContact O-N 3.31Å; S264-M267 VanDerWaalsContact O-N 3.1Å; D265-M267 PolarHBondContact O-N 2.98Å; M267-D269 PolarHBondContact O-N 3.02Å; M267-L270 WeakPolarHBondContact O-CB 3.45Å; M267-L270 PolarHBondContact O-N 2.61Å; M267-L270 VanDerWaalsContact O-N 3.16Å; M267-L271 HydrophobicContact CG-CD1 3.97Å; M267-L271 WeakPolarHBondContact O-CG 3.43Å; M267-L271 PolarHBondContact O-N 3.24Å; M267-L271 HydrophobicContact SD-CD1 4.25Å; M267-I299 HydrophobicContact CG-CD1 4.2Å; M267-I299 HydrophobicContact SD-CD1 3.85Å
268N92.2Very high90.5Very high19 Ų1951.5 Ų51.510%0.10229%0.289CS..Hα-helixtrans-55.5-45.6-177.8-81.7-29.2000112.7S264 D265 L270 L271 A272S264-N268 VanDerWaalsContact O-CG 3.22Å; S264-N268 PolarHBondContact O-N 2.94Å; S264-N268 PolarHBondContact O-ND2 3.38Å; S264-N268 PolarHBondContact O-OD1 3.3Å; D265-N268 PolarHBondContact O-N 3.28Å; D265-N268 PolarHBondContact OD1-ND2 2.83Å; N268-L270 PolarHBondContact O-N 2.99Å; N268-L271 PolarHBondContact O-N 2.87Å; N268-A272 PolarHBondContact O-N 2.85Å
269D91.5Very high90.4Very high102 Ų10248.7 Ų48.755%0.54529%0.285SS..Hα-helixtrans-61.7-41.1177.817463.5000112.7K224 M267 A272 Q273K224-D269 WeakPolarHBondContact CE-OD2 3.31Å; K224-D269 IonicContact NZ-OD2 2.67Å; K224-D269 PolarHBondContact NZ-OD2 3.36Å; M267-D269 PolarHBondContact O-N 3.02Å; D269-A272 PolarHBondContact O-N 3.1Å; D269-Q273 WeakPolarHBondContact O-CB 3.47Å; D269-Q273 PolarHBondContact O-N 3.48Å
270L93Very high90.3Very high1 Ų144.2 Ų44.21%0.00526%0.263CS..Hα-helixtrans-64.4-45.1173.5166.468.6000111.7V220 M223 K224 L253 M267 N268 A272 Q273 V274V220-L270 HydrophobicContact CB-CD2 4.18Å; V220-L270 HydrophobicContact CG1-CB 4.07Å; V220-L270 HydrophobicContact CG1-CD2 4.13Å; V220-L270 HydrophobicContact CG2-CD2 3.87Å; M223-L270 HydrophobicContact CB-CD1 3.95Å; M223-L270 HydrophobicContact CB-CD2 3.77Å; M223-L270 HydrophobicContact CG-CD1 3.57Å; M223-L270 HydrophobicContact CG-CD2 3.79Å; M223-L270 HydrophobicContact CG-CG 4.18Å; K224-L270 HydrophobicContact CG-CD1 3.84Å; L253-L270 HydrophobicContact CD1-CD2 3.82Å; M267-L270 WeakPolarHBondContact O-CB 3.45Å; M267-L270 PolarHBondContact O-N 2.61Å; M267-L270 VanDerWaalsContact O-N 3.16Å; N268-L270 PolarHBondContact O-N 2.99Å; L270-A272 VanDerWaalsContact C-N 3.3Å; L270-A272 PolarHBondContact O-N 3.49Å; L270-Q273 PolarHBondContact O-N 2.93Å; L270-V274 HydrophobicContact CD1-CG2 3.77Å; L270-V274 HydrophobicContact CG-CG2 4.29Å; L270-V274 VanDerWaalsContact O-CG2 3.27Å; L270-V274 WeakPolarHBondContact O-CG2 3.4Å; L270-V274 PolarHBondContact O-N 3.3Å
271L93.8Very high90.2Very high0 Ų046.9 Ų46.90%028%0.281CS..Hα-helixtrans-64.4-38-179.2-69.1170.7000111.2L250 M267 N268 A275 T292 T295 V296 I299 L305L250-L271 HydrophobicContact CD2-CD2 3.69Å; M267-L271 HydrophobicContact CG-CD1 3.97Å; M267-L271 WeakPolarHBondContact O-CG 3.43Å; M267-L271 PolarHBondContact O-N 3.24Å; M267-L271 HydrophobicContact SD-CD1 4.25Å; N268-L271 PolarHBondContact O-N 2.87Å; L271-A275 WeakPolarHBondContact O-CB 3.35Å; L271-A275 PolarHBondContact O-N 3.42Å; L271-T292 HydrophobicContact CD2-CG2 3.99Å; L271-T295 HydrophobicContact CD1-CG2 4.06Å; L271-T295 HydrophobicContact CD2-CG2 3.8Å; L271-V296 HydrophobicContact CB-CG2 4.15Å; L271-V296 HydrophobicContact CD1-CG2 4.06Å; L271-V296 HydrophobicContact CG-CG2 4.49Å; L271-I299 HydrophobicContact CD1-CD1 3.62Å; L271-L305 HydrophobicContact CB-CD2 3.81Å; L271-L305 HydrophobicContact CD1-CD2 4.4Å
272A92.1Very high90.1Very high36 Ų3646.8 Ų46.830%0.29828%0.279SS..Hα-helixtrans-61.6-49.6170.300000111.5N268 D269 L270 V274 A275 T276 L305N268-A272 PolarHBondContact O-N 2.85Å; D269-A272 PolarHBondContact O-N 3.1Å; L270-A272 VanDerWaalsContact C-N 3.3Å; L270-A272 PolarHBondContact O-N 3.49Å; A272-V274 PolarHBondContact O-N 3.29Å; A272-A275 PolarHBondContact O-N 2.93Å; A272-T276 PolarHBondContact O-N 3.25Å; A272-T276 PolarHBondContact O-OG1 2.88Å; A272-L305 HydrophobicContact CB-CD1 4.24Å
273Q91.3Very high90.1Very high43 Ų4348 Ų4820%0.20128%0.279CS..Hα-helixtrans-59-43.5178.8-171.3-177.215.500112.7D269 L270 T276 N277D269-Q273 WeakPolarHBondContact O-CB 3.47Å; D269-Q273 PolarHBondContact O-N 3.48Å; L270-Q273 PolarHBondContact O-N 2.93Å; Q273-T276 PolarHBondContact O-OG1 3.21Å; Q273-N277 WeakPolarHBondContact CG-ND2 3.43Å; Q273-N277 VanDerWaalsContact O-CB 3.23Å; Q273-N277 WeakPolarHBondContact O-CB 3.33Å; Q273-N277 VanDerWaalsContact O-CG 3.31Å; Q273-N277 PolarHBondContact O-N 3.32Å
274V92Very high90.2Very high0 Ų049.1 Ų49.10%029%0.285CS..Hα-helixtrans-66.1-42.6176.2176.60000110.5M223 V227 L270 A272 T276 T278 V288 T292M223-V274 HydrophobicContact CE-CG1 4.45Å; M223-V274 HydrophobicContact CE-CG2 3.84Å; V227-V274 HydrophobicContact CG2-CG2 3.83Å; L270-V274 HydrophobicContact CD1-CG2 3.77Å; L270-V274 HydrophobicContact CG-CG2 4.29Å; L270-V274 VanDerWaalsContact O-CG2 3.27Å; L270-V274 WeakPolarHBondContact O-CG2 3.4Å; L270-V274 PolarHBondContact O-N 3.3Å; A272-V274 PolarHBondContact O-N 3.29Å; V274-T276 VanDerWaalsContact C-N 3.3Å; V274-T276 PolarHBondContact O-N 3.07Å; V274-T278 VanDerWaalsContact O-CB 3.27Å; V274-T278 WeakPolarHBondContact O-CB 3.29Å; V274-T278 PolarHBondContact O-N 3.36Å; V274-T278 PolarHBondContact O-OG1 3.19Å; V274-V288 HydrophobicContact CG1-CG1 3.84Å; V274-T292 HydrophobicContact CB-CG2 4.35Å; V274-T292 HydrophobicContact CG1-CG2 4.16Å; V274-T292 VanDerWaalsContact CG1-OG1 3.23Å; V274-T292 WeakPolarHBondContact CG1-OG1 3.34Å
275A91.3Very high90.2Very high16 Ų1649.1 Ų49.113%0.13229%0.285CS..Hα-helixtrans-66-27.8-179.500000113.8L271 A272 T292 L308 I312L271-A275 WeakPolarHBondContact O-CB 3.35Å; L271-A275 PolarHBondContact O-N 3.42Å; A272-A275 PolarHBondContact O-N 2.93Å; A275-T292 HydrophobicContact CB-CG2 4.41Å; A275-L308 HydrophobicContact CB-CD2 3.87Å; A275-I312 HydrophobicContact CB-CD1 4.05Å
276T90.4Very high90.2Very high93 Ų9344.8 Ų44.857%0.57126%0.262SS*.Hα-helixtrans-93.2-36.9177.758.40000113.9A272 Q273 V274A272-T276 PolarHBondContact O-N 3.25Å; A272-T276 PolarHBondContact O-OG1 2.88Å; Q273-T276 PolarHBondContact O-OG1 3.21Å; V274-T276 VanDerWaalsContact C-N 3.3Å; V274-T276 PolarHBondContact O-N 3.07Å
277N89.4Confident90.3Very high102 Ų10244.8 Ų44.855%0.54526%0.262SS..Hα-helixtrans-92.5-17.3-170.9-62.7-5.5000114.1Q273 D279Q273-N277 WeakPolarHBondContact CG-ND2 3.43Å; Q273-N277 VanDerWaalsContact O-CB 3.23Å; Q273-N277 WeakPolarHBondContact O-CB 3.33Å; Q273-N277 VanDerWaalsContact O-CG 3.31Å; Q273-N277 PolarHBondContact O-N 3.32Å; N277-D279 PolarHBondContact O-N 3.03Å
278T88.1Confident90.4Very high21 Ų2144.8 Ų44.813%0.12926%0.262CS..SBendtrans-74.4126.7-179.4-54.60000111.2V274 S280 G285 V288 L289V274-T278 VanDerWaalsContact O-CB 3.27Å; V274-T278 WeakPolarHBondContact O-CB 3.29Å; V274-T278 PolarHBondContact O-N 3.36Å; V274-T278 PolarHBondContact O-OG1 3.19Å; T278-S280 PolarHBondContact O-N 2.84Å; T278-G285 WeakPolarHBondContact CG2-O 3.44Å; T278-V288 HydrophobicContact CG2-CB 4.22Å; T278-V288 HydrophobicContact CG2-CG1 4.33Å; T278-L289 HydrophobicContact CG2-CD1 4.35Å; T278-L289 HydrophobicContact CG2-CD2 4.43Å; T278-L289 HydrophobicContact CG2-CG 3.91Å
279D85.8Confident90.4Very high78 Ų7844.2 Ų44.242%0.41726%0.259SS..  trans-68.2120.8176.7-178.520.5000112.1N277 T281 G285N277-D279 PolarHBondContact O-N 3.03Å; D279-T281 WeakPolarHBondContact OD1-CG2 3.2Å; D279-T281 PolarHBondContact OD1-N 2.74Å; D279-T281 PolarHBondContact OD1-OG1 3.26Å; D279-T281 PolarHBondContact OD2-OG1 2.69Å; D279-G285 WeakPolarHBondContact O-CA 3.41Å
280S83.8Confident90.5Very high34 Ų3441.7 Ų41.724%0.23824%0.242CC..THydrogen-bonded Turntrans-87.11.1176.151.40000114.2T278 K282 N286 R315T278-S280 PolarHBondContact O-N 2.84Å; S280-K282 VanDerWaalsContact C-N 3.3Å; S280-K282 PolarHBondContact O-N 3.08Å; S280-N286 WeakPolarHBondContact CA-OD1 3.39Å; S280-N286 WeakPolarHBondContact CB-OD1 3.3Å; S280-N286 PolarHBondContact O-ND2 3.33Å; S280-N286 PolarHBondContact O-OD1 3.37Å; S280-R315 PolarHBondContact OG-NH2 3.4Å
281T86.2Confident90.6Very high100 Ų10041.8 Ų41.861%0.61324%0.243SC*.THydrogen-bonded Turntrans-69.9-24.7177.377.60000113.8D279D279-T281 WeakPolarHBondContact OD1-CG2 3.2Å; D279-T281 PolarHBondContact OD1-N 2.74Å; D279-T281 PolarHBondContact OD1-OG1 3.26Å; D279-T281 PolarHBondContact OD2-OG1 2.69Å
282K87.7Confident90.6Very high109 Ų10942 Ų4247%0.47424%0.244SC..SBendtrans-112.3149.5-176.4-52.7-56.6176.4-175.50112S280 V284 G285 N286S280-K282 VanDerWaalsContact C-N 3.3Å; S280-K282 PolarHBondContact O-N 3.08Å; K282-V284 PolarHBondContact O-N 3.46Å; K282-V284 VanDerWaalsContact O-N 3.15Å; K282-G285 PolarHBondContact O-N 3.01Å; K282-N286 PolarHBondContact O-N 3.41Å; K282-N286 PolarHBondContact O-ND2 3.17Å; K282-N286 VanDerWaalsContact O-ND2 3.11Å
283T89.7Confident90.6Very high98 Ų9840.3 Ų40.360%0.60123%0.23SC*.Hα-helixtrans-54.5-33.2174.8-44.70000112.6N286 A287T283-N286 PolarHBondContact O-N 2.9Å; T283-A287 WeakPolarHBondContact O-CB 3.5Å; T283-A287 PolarHBondContact O-N 3.12Å
284V91.7Very high90.6Very high31 Ų3139.4 Ų39.419%0.18823%0.226CC..Hα-helixtrans-63.2-54.2178.8-1790000111.7V237 V240 P243 K282 N286 A287 V288V237-V284 HydrophobicContact CB-CG2 4.48Å; V237-V284 HydrophobicContact CG1-CG2 3.92Å; V240-V284 HydrophobicContact CB-CG1 3.9Å; V240-V284 HydrophobicContact CG1-CG1 4.24Å; V240-V284 HydrophobicContact CG2-CG1 4.11Å; P243-V284 HydrophobicContact CB-CG1 3.41Å; P243-V284 VanDerWaalsContact CB-CG1 3.41Å; P243-V284 HydrophobicContact CG-CG1 3.52Å; K282-V284 PolarHBondContact O-N 3.46Å; K282-V284 VanDerWaalsContact O-N 3.15Å; V284-N286 VanDerWaalsContact C-N 3.32Å; V284-N286 PolarHBondContact O-N 2.88Å; V284-A287 WeakPolarHBondContact O-CB 3.47Å; V284-A287 PolarHBondContact O-N 3.49Å; V284-A287 VanDerWaalsContact O-N 3.1Å; V284-V288 PolarHBondContact O-N 3.38Å; V284-V288 VanDerWaalsContact O-N 3.15Å
285G90.6Very high90.7Very high0 Ų039.4 Ų39.40%023%0.226CC..Hα-helixtrans-66.6-33.9177.200000112.5T278 D279 K282 A287 V288 L289T278-G285 WeakPolarHBondContact CG2-O 3.44Å; D279-G285 WeakPolarHBondContact O-CA 3.41Å; K282-G285 PolarHBondContact O-N 3.01Å; G285-A287 VanDerWaalsContact C-N 3.28Å; G285-A287 PolarHBondContact O-N 2.89Å; G285-V288 PolarHBondContact O-N 3.37Å; G285-L289 WeakPolarHBondContact O-CB 3.5Å; G285-L289 WeakPolarHBondContact O-CG 3.49Å; G285-L289 PolarHBondContact O-N 3.34Å
286N91Very high90.7Very high10 Ų1038.8 Ų38.85%0.05322%0.221CC..Hα-helixtrans-62.7-31.7170.8-70.4-41.8000113S280 K282 T283 V284 Y290 F316 I324S280-N286 WeakPolarHBondContact CA-OD1 3.39Å; S280-N286 WeakPolarHBondContact CB-OD1 3.3Å; S280-N286 PolarHBondContact O-ND2 3.33Å; S280-N286 PolarHBondContact O-OD1 3.37Å; K282-N286 PolarHBondContact O-N 3.41Å; K282-N286 PolarHBondContact O-ND2 3.17Å; K282-N286 VanDerWaalsContact O-ND2 3.11Å; T283-N286 PolarHBondContact O-N 2.9Å; V284-N286 VanDerWaalsContact C-N 3.32Å; V284-N286 PolarHBondContact O-N 2.88Å; N286-Y290 WeakPolarHBondContact O-CB 3.42Å; N286-Y290 PolarHBondContact O-N 2.94Å; N286-F316 HydrophobicContact CB-CE1 4.4Å; N286-F316 HydrophobicContact CB-CZ 4.18Å; N286-F316 WeakPolarHBondContact OD1-CE1 3.44Å; N286-I324 HydrophobicContact CB-CD1 4.39Å
287A92.8Very high90.6Very high48 Ų4835.6 Ų35.640%0.39720%0.2SC..Hα-helixtrans-72.7-38174.500000112.8T283 V284 G285 Y290 E291T283-A287 WeakPolarHBondContact O-CB 3.5Å; T283-A287 PolarHBondContact O-N 3.12Å; V284-A287 WeakPolarHBondContact O-CB 3.47Å; V284-A287 PolarHBondContact O-N 3.49Å; V284-A287 VanDerWaalsContact O-N 3.1Å; G285-A287 VanDerWaalsContact C-N 3.28Å; G285-A287 PolarHBondContact O-N 2.89Å; A287-Y290 PolarHBondContact O-N 3.38Å; A287-E291 PolarHBondContact O-N 2.89Å
288V93.9Very high90.6Very high0 Ų033.8 Ų33.80%019%0.19CC..Hα-helixtrans-63-54.4171.5175.20000109.8V240 P243 Q246 V247 L250 V274 T278 V284 G285 Y290 E291 T292V240-V288 HydrophobicContact CG1-CG2 4.49Å; P243-V288 HydrophobicContact CB-CG2 4.06Å; Q246-V288 HydrophobicContact CB-CG2 4.35Å; V247-V288 HydrophobicContact CG2-CG2 4.26Å; L250-V288 HydrophobicContact CD1-CG1 4.03Å; V274-V288 HydrophobicContact CG1-CG1 3.84Å; T278-V288 HydrophobicContact CG2-CB 4.22Å; T278-V288 HydrophobicContact CG2-CG1 4.33Å; V284-V288 PolarHBondContact O-N 3.38Å; V284-V288 VanDerWaalsContact O-N 3.15Å; G285-V288 PolarHBondContact O-N 3.37Å; V288-Y290 PolarHBondContact O-N 3.2Å; V288-E291 PolarHBondContact O-N 2.86Å; V288-E291 VanDerWaalsContact O-N 3.13Å; V288-T292 PolarHBondContact O-N 3.45Å; V288-T292 PolarHBondContact O-OG1 3.28Å
289L93.4Very high90.7Very high6 Ų632.8 Ų32.83%0.03119%0.185CC..Hα-helixtrans-55.6-36.4176.9-74.4172.5000112.5T278 G285 T292 V293 F316T278-L289 HydrophobicContact CG2-CD1 4.35Å; T278-L289 HydrophobicContact CG2-CD2 4.43Å; T278-L289 HydrophobicContact CG2-CG 3.91Å; G285-L289 WeakPolarHBondContact O-CB 3.5Å; G285-L289 WeakPolarHBondContact O-CG 3.49Å; G285-L289 PolarHBondContact O-N 3.34Å; L289-T292 WeakPolarHBondContact O-CB 3.44Å; L289-T292 PolarHBondContact O-N 3.01Å; L289-V293 WeakPolarHBondContact O-CB 3.35Å; L289-V293 VanDerWaalsContact O-CG2 3.26Å; L289-V293 WeakPolarHBondContact O-CG2 3.22Å; L289-V293 PolarHBondContact O-N 3.49Å; L289-F316 HydrophobicContact CB-CZ 3.92Å; L289-F316 HydrophobicContact CD1-CZ 4.44Å
290Y92.9Very high90.6Very high49 Ų4933.9 Ų33.919%0.19219%0.186CC..Hα-helixtrans-63.4-47.9176173.9-107000112.9N286 A287 V288 T292 V293 L294 I327 S331N286-Y290 WeakPolarHBondContact O-CB 3.42Å; N286-Y290 PolarHBondContact O-N 2.94Å; A287-Y290 PolarHBondContact O-N 3.38Å; V288-Y290 PolarHBondContact O-N 3.2Å; Y290-T292 VanDerWaalsContact C-N 3.35Å; Y290-V293 PolarHBondContact O-N 3.25Å; Y290-L294 HydrophobicContact CD1-CD1 4.16Å; Y290-L294 HydrophobicContact CE1-CD1 3.52Å; Y290-L294 HydrophobicContact CE1-CG 4.32Å; Y290-L294 HydrophobicContact CE2-CD1 4.29Å; Y290-L294 HydrophobicContact CE2-CG 4.29Å; Y290-L294 WeakPolarHBondContact O-CG 3.44Å; Y290-L294 PolarHBondContact O-N 3.41Å; Y290-I327 HydrophobicContact CD1-CG2 4.34Å; Y290-I327 HydrophobicContact CD2-CG2 3.22Å; Y290-I327 HydrophobicContact CE1-CG2 4.26Å; Y290-I327 HydrophobicContact CE2-CB 4.47Å; Y290-I327 HydrophobicContact CE2-CG2 3.1Å; Y290-I327 HydrophobicContact CG-CG2 3.85Å; Y290-S331 WeakPolarHBondContact CE2-OG 3.28Å
291E94.7Very high90.5Very high4 Ų433 Ų332%0.01918%0.179CC..Hα-helixtrans-70.4-32.6176.5-164.282.3-156.500111V247 L250 R251 R254 A287 V288 L294 T295V247-E291 HydrophobicContact CG1-CB 4.08Å; V247-E291 HydrophobicContact CG1-CG 4.03Å; V247-E291 HydrophobicContact CG2-CB 4.35Å; L250-E291 HydrophobicContact CB-CB 4.38Å; L250-E291 HydrophobicContact CB-CG 3.91Å; L250-E291 HydrophobicContact CD1-CB 4.43Å; R251-E291 HydrophobicContact CB-CG 4.41Å; R251-E291 WeakPolarHBondContact CB-OE1 3.43Å; R251-E291 IonicContact CZ-OE1 2.71Å; R251-E291 IonicContact CZ-OE2 2.7Å; R251-E291 IonicContact NE-OE1 3.89Å; R251-E291 PolarHBondContact NE-OE1 2.97Å; R251-E291 IonicContact NE-OE2 2.66Å; R251-E291 IonicContact NH2-OE1 3.61Å; R251-E291 PolarHBondContact NH2-OE1 2.9Å; R251-E291 IonicContact NH2-OE2 2.95Å; R251-E291 PolarHBondContact NH2-OE2 3.05Å; R254-E291 IonicContact CZ-OE1 3.72Å; R254-E291 IonicContact NH1-OE1 3.15Å; R254-E291 PolarHBondContact NH1-OE1 3.21Å; R254-E291 IonicContact NH2-OE1 3.26Å; A287-E291 PolarHBondContact O-N 2.89Å; V288-E291 PolarHBondContact O-N 2.86Å; V288-E291 VanDerWaalsContact O-N 3.13Å; E291-L294 PolarHBondContact O-N 3.31Å; E291-T295 WeakPolarHBondContact O-CB 3.23Å; E291-T295 PolarHBondContact O-N 3.34Å; E291-T295 PolarHBondContact O-OG1 3.38Å
292T94.3Very high90.4Very high3 Ų334.2 Ų34.22%0.01818%0.178CC..Hα-helixtrans-58.2-49.2170-56.30000111.2L250 L271 V274 A275 V288 L289 Y290 T295 V296L250-T292 VanDerWaalsContact CD1-OG1 3.3Å; L250-T292 WeakPolarHBondContact CD1-OG1 3.5Å; L271-T292 HydrophobicContact CD2-CG2 3.99Å; V274-T292 HydrophobicContact CB-CG2 4.35Å; V274-T292 HydrophobicContact CG1-CG2 4.16Å; V274-T292 VanDerWaalsContact CG1-OG1 3.23Å; V274-T292 WeakPolarHBondContact CG1-OG1 3.34Å; A275-T292 HydrophobicContact CB-CG2 4.41Å; V288-T292 PolarHBondContact O-N 3.45Å; V288-T292 PolarHBondContact O-OG1 3.28Å; L289-T292 WeakPolarHBondContact O-CB 3.44Å; L289-T292 PolarHBondContact O-N 3.01Å; Y290-T292 VanDerWaalsContact C-N 3.35Å; T292-T295 WeakPolarHBondContact O-CB 3.33Å; T292-T295 PolarHBondContact O-N 2.97Å; T292-T295 VanDerWaalsContact O-N 3.11Å; T292-V296 WeakPolarHBondContact O-CG2 3.4Å; T292-V296 PolarHBondContact O-N 3.27Å
293V92.5Very high90.3Very high2 Ų233.4 Ų33.41%0.01219%0.186CC..Hα-helixtrans-59.1-49.6176161.90000110.9L289 Y290 T295 V296 L297 A309 I312 L313L289-V293 WeakPolarHBondContact O-CB 3.35Å; L289-V293 VanDerWaalsContact O-CG2 3.26Å; L289-V293 WeakPolarHBondContact O-CG2 3.22Å; L289-V293 PolarHBondContact O-N 3.49Å; Y290-V293 PolarHBondContact O-N 3.25Å; V293-T295 PolarHBondContact O-N 3.13Å; V293-V296 PolarHBondContact O-N 2.95Å; V293-L297 HydrophobicContact CG1-CD1 3.52Å; V293-L297 HydrophobicContact CG1-CG 4.47Å; V293-L297 VanDerWaalsContact O-CD1 3.27Å; V293-L297 WeakPolarHBondContact O-CD1 3.35Å; V293-L297 WeakPolarHBondContact O-CG 3.47Å; V293-L297 PolarHBondContact O-N 3.36Å; V293-L297 VanDerWaalsContact O-N 3.12Å; V293-A309 HydrophobicContact CG1-CB 4.3Å; V293-A309 HydrophobicContact CG2-CB 4.11Å; V293-I312 HydrophobicContact CG2-CB 4.08Å; V293-I312 HydrophobicContact CG2-CD1 4.34Å; V293-I312 HydrophobicContact CG2-CG2 3.86Å; V293-L313 HydrophobicContact CG1-CD1 3.73Å; V293-L313 HydrophobicContact CG1-CD2 3.89Å; V293-L313 HydrophobicContact CG1-CG 3.73Å
294L91.4Very high90.3Very high23 Ų2330.6 Ų30.612%0.1218%0.176CC..Hα-helixtrans-58.5-33.3175.3-73.7-179.4000112.9R254 Y290 E291 D298 S331R254-L294 VanDerWaalsContact CD-O 3.25Å; R254-L294 WeakPolarHBondContact CD-O 3.36Å; Y290-L294 HydrophobicContact CD1-CD1 4.16Å; Y290-L294 HydrophobicContact CE1-CD1 3.52Å; Y290-L294 HydrophobicContact CE1-CG 4.32Å; Y290-L294 HydrophobicContact CE2-CD1 4.29Å; Y290-L294 HydrophobicContact CE2-CG 4.29Å; Y290-L294 WeakPolarHBondContact O-CG 3.44Å; Y290-L294 PolarHBondContact O-N 3.41Å; E291-L294 PolarHBondContact O-N 3.31Å; L294-D298 PolarHBondContact O-N 2.83Å; L294-S331 VanDerWaalsContact CD2-OG 3.3Å; L294-S331 WeakPolarHBondContact CD2-OG 3.38Å
295T92.9Very high90.2Very high0 Ų029.8 Ų29.80%017%0.171CC..Hα-helixtrans-68.2-51.5177.9-58.30000110.7L250 R254 L271 E291 T292 V293 L297 D298 I299L250-T295 PolarHBondContact O-OG1 2.99Å; R254-T295 HydrophobicContact CB-CG2 3.91Å; L271-T295 HydrophobicContact CD1-CG2 4.06Å; L271-T295 HydrophobicContact CD2-CG2 3.8Å; E291-T295 WeakPolarHBondContact O-CB 3.23Å; E291-T295 PolarHBondContact O-N 3.34Å; E291-T295 PolarHBondContact O-OG1 3.38Å; T292-T295 WeakPolarHBondContact O-CB 3.33Å; T292-T295 PolarHBondContact O-N 2.97Å; T292-T295 VanDerWaalsContact O-N 3.11Å; V293-T295 PolarHBondContact O-N 3.13Å; T295-L297 VanDerWaalsContact C-N 3.25Å; T295-L297 PolarHBondContact O-N 2.63Å; T295-D298 PolarHBondContact O-N 2.86Å; T295-I299 WeakPolarHBondContact O-CG1 3.37Å; T295-I299 WeakPolarHBondContact O-CG2 3.49Å; T295-I299 PolarHBondContact O-N 3.45Å
296V92.1Very high90.1Very high3 Ų332.5 Ų32.52%0.01818%0.181CC..Hα-helixtrans-55.6-38.4177.6169.10000112.7L271 T292 V293 S301 L305 R306 A309L271-V296 HydrophobicContact CB-CG2 4.15Å; L271-V296 HydrophobicContact CD1-CG2 4.06Å; L271-V296 HydrophobicContact CG-CG2 4.49Å; T292-V296 WeakPolarHBondContact O-CG2 3.4Å; T292-V296 PolarHBondContact O-N 3.27Å; V293-V296 PolarHBondContact O-N 2.95Å; V296-S301 PolarHBondContact O-OG 2.9Å; V296-L305 HydrophobicContact CB-CG 4.46Å; V296-L305 HydrophobicContact CG1-CB 4.36Å; V296-L305 HydrophobicContact CG1-CD2 4.34Å; V296-L305 HydrophobicContact CG1-CG 3.81Å; V296-L305 HydrophobicContact CG2-CD1 4.28Å; V296-L305 HydrophobicContact CG2-CD2 3.77Å; V296-L305 HydrophobicContact CG2-CG 3.72Å; V296-R306 HydrophobicContact CG1-CG 4.15Å; V296-A309 HydrophobicContact CB-CB 4.28Å; V296-A309 HydrophobicContact CG1-CB 3.86Å
297L87.7Confident90Very high26 Ų2635.1 Ų35.114%0.13620%0.198CC..Hα-helixtrans-80.6-28-172.6-66.2162.3000114.5V293 T295 A309 L313 I335V293-L297 HydrophobicContact CG1-CD1 3.52Å; V293-L297 HydrophobicContact CG1-CG 4.47Å; V293-L297 VanDerWaalsContact O-CD1 3.27Å; V293-L297 WeakPolarHBondContact O-CD1 3.35Å; V293-L297 WeakPolarHBondContact O-CG 3.47Å; V293-L297 PolarHBondContact O-N 3.36Å; V293-L297 VanDerWaalsContact O-N 3.12Å; T295-L297 VanDerWaalsContact C-N 3.25Å; T295-L297 PolarHBondContact O-N 2.63Å; L297-A309 HydrophobicContact CD2-CB 4.49Å; L297-L313 HydrophobicContact CD1-CD1 4.3Å; L297-I335 HydrophobicContact CD1-CD1 3.24Å; L297-I335 HydrophobicContact CD1-CG1 3.67Å; L297-I335 HydrophobicContact CD2-CD1 3.81Å; L297-I335 HydrophobicContact CD2-CG1 4Å; L297-I335 HydrophobicContact CD2-CG2 4.36Å; L297-I335 HydrophobicContact CG-CD1 4.13Å; L297-I335 HydrophobicContact CG-CG1 4.31Å
298D89Confident89.8Confident64 Ų6435.7 Ų35.734%0.34219%0.193SC..Hα-helixtrans-91-21.8-179.5-170.442.5000112.4R254 R258 L294 T295R254-D298 WeakPolarHBondContact CD-OD2 3.48Å; R254-D298 HydrophobicContact CG-CB 3.73Å; R254-D298 WeakPolarHBondContact CG-OD2 3.34Å; R254-D298 IonicContact NE-OD2 3.58Å; R258-D298 IonicContact NE-OD1 4Å; R258-D298 PolarHBondContact NE-OD1 3.09Å; R258-D298 IonicContact NE-OD2 2.82Å; L294-D298 PolarHBondContact O-N 2.83Å; T295-D298 PolarHBondContact O-N 2.86Å
299I90.1Very high89.7Confident1 Ų135.8 Ų35.81%0.00520%0.195CC..THydrogen-bonded Turntrans-88.9163.8173.474.8-177.8000112.2M267 L271 T295 S301 R306M267-I299 HydrophobicContact CG-CD1 4.2Å; M267-I299 HydrophobicContact SD-CD1 3.85Å; L271-I299 HydrophobicContact CD1-CD1 3.62Å; T295-I299 WeakPolarHBondContact O-CG1 3.37Å; T295-I299 WeakPolarHBondContact O-CG2 3.49Å; T295-I299 PolarHBondContact O-N 3.45Å; I299-S301 PolarHBondContact O-N 3.37Å; I299-R306 PolarHBondContact O-NH2 2.97Å
300K84.8Confident89.5Confident101 Ų10135.7 Ų35.744%0.43919%0.194SC..THydrogen-bonded Turntrans-80.467.9169.5-67.7-170.6-176.7-173.90110.3E261E261-K300 HydrophobicContact CG-CB 4.38Å; E261-K300 HydrophobicContact CG-CD 3.87Å; E261-K300 VanDerWaalsContact OE1-CD 3.27Å; E261-K300 WeakPolarHBondContact OE1-CD 3.48Å; E261-K300 IonicContact OE1-NZ 2.7Å; E261-K300 PolarHBondContact OE1-NZ 3.26Å
301S80.4Confident89.4Confident14 Ų1437 Ų3710%0.09820%0.204CC..  trans-78.5166.6177.3730000112.6V296 I299 R306V296-S301 PolarHBondContact O-OG 2.9Å; I299-S301 PolarHBondContact O-N 3.37Å; S301-R306 WeakPolarHBondContact OG-CG 3.31Å; S301-R306 PolarHBondContact OG-NE 3.25Å
302E85.3Confident89.2Confident127 Ų12737.5 Ų37.559%0.59321%0.207SC*.  trans-55.1145166.9-163.7-169.8154.300112.1G304 L305 R306E302-G304 VanDerWaalsContact C-N 3.33Å; E302-G304 PolarHBondContact O-N 2.85Å; E302-L305 PolarHBondContact O-N 3.25Å; E302-R306 PolarHBondContact O-N 3.35Å
303S86Confident89.1Confident91 Ų9137.3 Ų37.364%0.63621%0.206SC*.Hα-helixtrans-62.7-36179.7580000113.1L305 R306 V307S303-L305 VanDerWaalsContact C-N 3.32Å; S303-L305 PolarHBondContact O-N 3.31Å; S303-R306 PolarHBondContact O-N 2.82Å; S303-V307 WeakPolarHBondContact O-CG2 3.38Å; S303-V307 PolarHBondContact O-N 2.94Å
304G88.3Confident89Confident39 Ų3937.4 Ų37.440%0.40221%0.207SC..Hα-helixtrans-59.1-42.1175.100000112.5E302 V307 L308E302-G304 VanDerWaalsContact C-N 3.33Å; E302-G304 PolarHBondContact O-N 2.85Å; G304-V307 PolarHBondContact O-N 3.24Å; G304-L308 PolarHBondContact O-N 3.17Å
305L90.2Very high89Confident14 Ų1444 Ų447%0.07323%0.23CC..Hα-helixtrans-69.1-35.4178.7-169.658.7000112.1L271 A272 V296 E302 S303 L308 A309L271-L305 HydrophobicContact CB-CD2 3.81Å; L271-L305 HydrophobicContact CD1-CD2 4.4Å; A272-L305 HydrophobicContact CB-CD1 4.24Å; V296-L305 HydrophobicContact CB-CG 4.46Å; V296-L305 HydrophobicContact CG1-CB 4.36Å; V296-L305 HydrophobicContact CG1-CD2 4.34Å; V296-L305 HydrophobicContact CG1-CG 3.81Å; V296-L305 HydrophobicContact CG2-CD1 4.28Å; V296-L305 HydrophobicContact CG2-CD2 3.77Å; V296-L305 HydrophobicContact CG2-CG 3.72Å; E302-L305 PolarHBondContact O-N 3.25Å; S303-L305 VanDerWaalsContact C-N 3.32Å; S303-L305 PolarHBondContact O-N 3.31Å; L305-L308 HydrophobicContact CD1-CD2 4.27Å; L305-L308 PolarHBondContact O-N 3.16Å; L305-A309 WeakPolarHBondContact O-CB 3.41Å; L305-A309 PolarHBondContact O-N 3.18Å
306R88.8Confident89Confident57 Ų5744.3 Ų44.322%0.21523%0.232CC..Hα-helixtrans-64.9-41.6172.1-64.9-171.2173.2-169.9-2112.7V296 I299 S301 E302 S303 L308 A309 V310 D339V296-R306 HydrophobicContact CG1-CG 4.15Å; I299-R306 PolarHBondContact O-NH2 2.97Å; S301-R306 WeakPolarHBondContact OG-CG 3.31Å; S301-R306 PolarHBondContact OG-NE 3.25Å; E302-R306 PolarHBondContact O-N 3.35Å; S303-R306 PolarHBondContact O-N 2.82Å; R306-L308 VanDerWaalsContact C-N 3.33Å; R306-A309 PolarHBondContact O-N 3.28Å; R306-V310 WeakPolarHBondContact O-CG2 3.47Å; R306-V310 PolarHBondContact O-N 3.44Å; R306-D339 IonicContact NH1-OD2 3.75Å
307V88.5Confident89Confident66 Ų6644.3 Ų44.340%0.423%0.232SC..Hα-helixtrans-62.8-41.9175173.10000110.7S303 G304 V310 N311S303-V307 WeakPolarHBondContact O-CG2 3.38Å; S303-V307 PolarHBondContact O-N 2.94Å; G304-V307 PolarHBondContact O-N 3.24Å; V307-V310 PolarHBondContact O-N 3.11Å; V307-N311 WeakPolarHBondContact O-CB 3.43Å; V307-N311 PolarHBondContact O-N 3.45Å; V307-N311 PolarHBondContact O-ND2 3.25Å
308L89.6Confident89.1Confident59 Ų5949 Ų4931%0.30926%0.256SS..Hα-helixtrans-59.9-45.1172.8179.960000111.8A275 G304 L305 R306 V310 N311 I312A275-L308 HydrophobicContact CB-CD2 3.87Å; G304-L308 PolarHBondContact O-N 3.17Å; L305-L308 HydrophobicContact CD1-CD2 4.27Å; L305-L308 PolarHBondContact O-N 3.16Å; R306-L308 VanDerWaalsContact C-N 3.33Å; L308-V310 PolarHBondContact O-N 2.91Å; L308-N311 WeakPolarHBondContact O-CB 3.2Å; L308-N311 PolarHBondContact O-N 2.91Å; L308-I312 HydrophobicContact CD1-CD1 4.33Å; L308-I312 HydrophobicContact CD1-CG1 4.47Å; L308-I312 HydrophobicContact CG-CD1 4.08Å; L308-I312 WeakPolarHBondContact O-CG1 3.43Å; L308-I312 PolarHBondContact O-N 3.31Å
309A91.4Very high89.3Confident3 Ų348.2 Ų48.23%0.02525%0.252CS..Hα-helixtrans-61.5-42.2178.700000113V293 V296 L297 L305 R306 I312 L313V293-A309 HydrophobicContact CG1-CB 4.3Å; V293-A309 HydrophobicContact CG2-CB 4.11Å; V296-A309 HydrophobicContact CB-CB 4.28Å; V296-A309 HydrophobicContact CG1-CB 3.86Å; L297-A309 HydrophobicContact CD2-CB 4.49Å; L305-A309 WeakPolarHBondContact O-CB 3.41Å; L305-A309 PolarHBondContact O-N 3.18Å; R306-A309 PolarHBondContact O-N 3.28Å; A309-I312 PolarHBondContact O-N 3.06Å; A309-L313 PolarHBondContact O-N 2.97Å; A309-L313 VanDerWaalsContact O-N 3.07Å
310V89.8Confident89.2Confident4 Ų455.6 Ų55.62%0.02429%0.292CS..Hα-helixtrans-65.4-39.9174.4176.20000111R306 V307 L308 I312 L313 G314 A342R306-V310 WeakPolarHBondContact O-CG2 3.47Å; R306-V310 PolarHBondContact O-N 3.44Å; V307-V310 PolarHBondContact O-N 3.11Å; L308-V310 PolarHBondContact O-N 2.91Å; V310-I312 VanDerWaalsContact C-N 3.32Å; V310-I312 PolarHBondContact O-N 3.03Å; V310-L313 PolarHBondContact O-N 2.86Å; V310-G314 PolarHBondContact O-N 2.8Å; V310-A342 HydrophobicContact CB-CB 4.49Å; V310-A342 HydrophobicContact CG1-CB 4.1Å; V310-A342 HydrophobicContact CG2-CB 3.99Å
311N89.4Confident89.5Confident75 Ų7553.1 Ų53.140%0.40128%0.283SS..Hα-helixtrans-63.8-35.4175.6-68.9-22.6000112.5V307 L308 G314 R315V307-N311 WeakPolarHBondContact O-CB 3.43Å; V307-N311 PolarHBondContact O-N 3.45Å; V307-N311 PolarHBondContact O-ND2 3.25Å; L308-N311 WeakPolarHBondContact O-CB 3.2Å; L308-N311 PolarHBondContact O-N 2.91Å; N311-G314 PolarHBondContact O-N 3.4Å; N311-R315 PolarHBondContact O-N 3.42Å
312I92Very high90.1Very high15 Ų1558.6 Ų58.68%0.07730%0.301CS..Hα-helixtrans-64.6-44.6172.9-68.4165000110.4A275 V293 L308 A309 V310 G314 R315 F316A275-I312 HydrophobicContact CB-CD1 4.05Å; V293-I312 HydrophobicContact CG2-CB 4.08Å; V293-I312 HydrophobicContact CG2-CD1 4.34Å; V293-I312 HydrophobicContact CG2-CG2 3.86Å; L308-I312 HydrophobicContact CD1-CD1 4.33Å; L308-I312 HydrophobicContact CD1-CG1 4.47Å; L308-I312 HydrophobicContact CG-CD1 4.08Å; L308-I312 WeakPolarHBondContact O-CG1 3.43Å; L308-I312 PolarHBondContact O-N 3.31Å; A309-I312 PolarHBondContact O-N 3.06Å; V310-I312 VanDerWaalsContact C-N 3.32Å; V310-I312 PolarHBondContact O-N 3.03Å; I312-G314 VanDerWaalsContact C-N 3.31Å; I312-G314 PolarHBondContact O-N 2.97Å; I312-R315 WeakPolarHBondContact O-CB 2.73Å; I312-R315 PolarHBondContact O-N 3.2Å; I312-R315 VanDerWaalsContact O-N 3.16Å; I312-F316 HydrophobicContact CG2-CD1 4.42Å; I312-F316 HydrophobicContact CG2-CE1 3.97Å; I312-F316 HydrophobicContact CG2-CE2 4.12Å; I312-F316 HydrophobicContact CG2-CZ 3.81Å; I312-F316 WeakPolarHBondContact O-CG 3.44Å; I312-F316 PolarHBondContact O-N 3.48Å
313L91.9Very high90.4Very high0 Ų057.6 Ų57.60%030%0.3CS..Hα-helixtrans-62.9-36.6173.5-67.7174.3000112.5V293 L297 A309 V310 R315 F316 L317 A328 L332 I335V293-L313 HydrophobicContact CG1-CD1 3.73Å; V293-L313 HydrophobicContact CG1-CD2 3.89Å; V293-L313 HydrophobicContact CG1-CG 3.73Å; L297-L313 HydrophobicContact CD1-CD1 4.3Å; A309-L313 PolarHBondContact O-N 2.97Å; A309-L313 VanDerWaalsContact O-N 3.07Å; V310-L313 PolarHBondContact O-N 2.86Å; L313-R315 VanDerWaalsContact C-N 3.34Å; L313-R315 PolarHBondContact O-N 2.95Å; L313-F316 HydrophobicContact CD2-CD2 4.22Å; L313-F316 PolarHBondContact O-N 3.3Å; L313-F316 VanDerWaalsContact O-N 3.14Å; L313-L317 PolarHBondContact O-N 2.95Å; L313-A328 HydrophobicContact CD2-CB 4.48Å; L313-L332 HydrophobicContact CB-CD1 4.49Å; L313-L332 HydrophobicContact CB-CD2 3.86Å; L313-L332 HydrophobicContact CB-CG 4.15Å; L313-L332 HydrophobicContact CD1-CD2 3.69Å; L313-L332 HydrophobicContact CD1-CG 4.06Å; L313-L332 HydrophobicContact CG-CD2 4.42Å; L313-I335 HydrophobicContact CD1-CD1 3.42Å; L313-I335 VanDerWaalsContact CD1-CD1 3.42Å
314G90.5Very high90.7Very high3 Ų353.8 Ų53.83%0.03127%0.273CS..Hα-helixtrans-59.6-41.4171.600000112.9V310 N311 I312 L317 L318V310-G314 PolarHBondContact O-N 2.8Å; N311-G314 PolarHBondContact O-N 3.4Å; I312-G314 VanDerWaalsContact C-N 3.31Å; I312-G314 PolarHBondContact O-N 2.97Å; G314-L317 PolarHBondContact O-N 3.01Å; G314-L318 PolarHBondContact O-N 2.87Å
315R90.2Very high90.9Very high162 Ų16253.6 Ų53.661%0.61126%0.26SS*.Hα-helixtrans-65.1-38.2171.2-72.617057.7123.9-5.6112.1S280 N311 I312 L313 L318 N319S280-R315 PolarHBondContact OG-NH2 3.4Å; N311-R315 PolarHBondContact O-N 3.42Å; I312-R315 WeakPolarHBondContact O-CB 2.73Å; I312-R315 PolarHBondContact O-N 3.2Å; I312-R315 VanDerWaalsContact O-N 3.16Å; L313-R315 VanDerWaalsContact C-N 3.34Å; L313-R315 PolarHBondContact O-N 2.95Å; R315-L318 PolarHBondContact O-N 3.29Å; R315-N319 PolarHBondContact O-N 2.97Å
316F93Very high91Very high7 Ų756.7 Ų56.73%0.03127%0.271CS..Hα-helixtrans-67.8-34.7177.2-69.8-2.5000112.7N286 L289 I312 L313 L318 N319 I324 R325 A328N286-F316 HydrophobicContact CB-CE1 4.4Å; N286-F316 HydrophobicContact CB-CZ 4.18Å; N286-F316 WeakPolarHBondContact OD1-CE1 3.44Å; L289-F316 HydrophobicContact CB-CZ 3.92Å; L289-F316 HydrophobicContact CD1-CZ 4.44Å; I312-F316 HydrophobicContact CG2-CD1 4.42Å; I312-F316 HydrophobicContact CG2-CE1 3.97Å; I312-F316 HydrophobicContact CG2-CE2 4.12Å; I312-F316 HydrophobicContact CG2-CZ 3.81Å; I312-F316 WeakPolarHBondContact O-CG 3.44Å; I312-F316 PolarHBondContact O-N 3.48Å; L313-F316 HydrophobicContact CD2-CD2 4.22Å; L313-F316 PolarHBondContact O-N 3.3Å; L313-F316 VanDerWaalsContact O-N 3.14Å; F316-L318 PolarHBondContact O-N 3.47Å; F316-N319 VanDerWaalsContact O-CB 3.29Å; F316-N319 WeakPolarHBondContact O-CB 3.27Å; F316-N319 PolarHBondContact O-N 2.87Å; F316-I324 HydrophobicContact CB-CG2 3.58Å; F316-I324 HydrophobicContact CD1-CG2 4.04Å; F316-I324 HydrophobicContact CD2-CG2 4.25Å; F316-I324 HydrophobicContact CG-CG2 3.72Å; F316-R325 WeakPolarHBondContact O-CG 3.46Å; F316-A328 HydrophobicContact CB-CB 3.64Å
317L91.7Very high91.1Very high3 Ų356.9 Ų56.92%0.01628%0.276CS..Hα-helixtrans-62.3-29171.7-75.3179.8000113.4L313 G314 N319 R325 A328 M329 L332 H346 T349 I350L313-L317 PolarHBondContact O-N 2.95Å; G314-L317 PolarHBondContact O-N 3.01Å; L317-N319 VanDerWaalsContact C-N 3.34Å; L317-R325 WeakPolarHBondContact O-CD 3.48Å; L317-R325 WeakPolarHBondContact O-CG 3.43Å; L317-A328 HydrophobicContact CD2-CB 3.93Å; L317-A328 HydrophobicContact CG-CB 4.14Å; L317-M329 HydrophobicContact CD2-CG 3.52Å; L317-L332 HydrophobicContact CD1-CD1 3.48Å; L317-L332 VanDerWaalsContact CD1-CD1 3.48Å; L317-L332 HydrophobicContact CD2-CD1 4.05Å; L317-L332 HydrophobicContact CG-CD1 3.83Å; L317-H346 HydrophobicContact CD1-CB 3.89Å; L317-T349 HydrophobicContact CB-CG2 4.01Å; L317-I350 HydrophobicContact CD1-CD1 4.28Å; L317-I350 HydrophobicContact CD1-CG1 3.8Å
318L91.3Very high91.3Very high123 Ų12353.7 Ų53.764%0.64426%0.257SS*.THydrogen-bonded Turntrans-89.63.6178.4-64.6171.4000113G314 R315 F316 T349G314-L318 PolarHBondContact O-N 2.87Å; R315-L318 PolarHBondContact O-N 3.29Å; F316-L318 PolarHBondContact O-N 3.47Å; L318-T349 HydrophobicContact CD2-CG2 3.66Å; L318-T349 HydrophobicContact CG-CG2 4.35Å
319N91.4Very high91.4Very high49 Ų4950.9 Ų50.926%0.26224%0.242SC..  trans-76.9140.5-178.7-161.4-49.6000111.4R315 F316 L317 D321 I324 R325R315-N319 PolarHBondContact O-N 2.97Å; F316-N319 VanDerWaalsContact O-CB 3.29Å; F316-N319 WeakPolarHBondContact O-CB 3.27Å; F316-N319 PolarHBondContact O-N 2.87Å; L317-N319 VanDerWaalsContact C-N 3.34Å; N319-D321 PolarHBondContact O-N 3.49Å; N319-D321 PolarHBondContact OD1-N 3.17Å; N319-I324 HydrophobicContact CB-CB 4.18Å; N319-I324 HydrophobicContact CB-CG2 3.88Å; N319-I324 WeakPolarHBondContact ND2-CD1 3.28Å; N319-R325 WeakPolarHBondContact O-CD 3.46Å; N319-R325 VanDerWaalsContact O-CG 3.23Å; N319-R325 WeakPolarHBondContact O-CG 3.5Å; N319-R325 PolarHBondContact O-NE 3.32Å
320N88.9Confident91.4Very high156 Ų15652 Ų5283%0.83425%0.248SC*.SBendtrans-63-30.3176.8-67-32.7000112.6R322N320-R322 PolarHBondContact O-N 3.13Å
321D91.1Very high91.4Very high48 Ų4851.8 Ų51.826%0.25725%0.247SC..  trans-70.3118.1177.6-172.9-3.9000111.6N319 N323 I324 R325N319-D321 PolarHBondContact O-N 3.49Å; N319-D321 PolarHBondContact OD1-N 3.17Å; D321-N323 PolarHBondContact O-N 2.89Å; D321-N323 WeakPolarHBondContact OD1-CB 3.35Å; D321-N323 PolarHBondContact OD1-N 3.31Å; D321-N323 PolarHBondContact OD1-ND2 3.32Å; D321-I324 HydrophobicContact CB-CB 4.29Å; D321-I324 HydrophobicContact CB-CD1 3.96Å; D321-I324 HydrophobicContact CB-CG1 4.07Å; D321-I324 PolarHBondContact O-N 3.03Å; D321-I324 VanDerWaalsContact O-N 3.16Å; D321-R325 PolarHBondContact O-N 3.03Å; D321-R325 VanDerWaalsContact O-N 3.12Å
322R91.9Very high91.4Very high129 Ų12948.2 Ų48.249%0.48723%0.228SC..Hα-helixtrans-58.1-33.9176.1-65.8173.3-177.5152.48.3112.3N320 R325 Y326 D356 V361N320-R322 PolarHBondContact O-N 3.13Å; R322-R325 PolarHBondContact O-N 3.3Å; R322-Y326 WeakPolarHBondContact O-CB 3.47Å; R322-Y326 PolarHBondContact O-N 3.07Å; R322-D356 IonicContact NE-OD1 2.8Å; R322-V361 HydrophobicContact CB-CG2 4.27Å
323N91.9Very high91.3Very high106 Ų10650.3 Ų50.357%0.56724%0.238SC*.Hα-helixtrans-63.6-45.1177.9-59.5-70.3000110.5D321 Y326 I327D321-N323 PolarHBondContact O-N 2.89Å; D321-N323 WeakPolarHBondContact OD1-CB 3.35Å; D321-N323 PolarHBondContact OD1-N 3.31Å; D321-N323 PolarHBondContact OD1-ND2 3.32Å; N323-Y326 PolarHBondContact O-N 3.38Å; N323-I327 VanDerWaalsContact O-CB 3.32Å; N323-I327 WeakPolarHBondContact O-CB 3.33Å; N323-I327 WeakPolarHBondContact O-CD1 3.47Å; N323-I327 WeakPolarHBondContact O-CG1 3.09Å; N323-I327 PolarHBondContact O-N 3.28Å
324I92Very high91Very high12 Ų1256.9 Ų56.96%0.06227%0.266CS..Hα-helixtrans-66.7-40179.5-62.3174.2000110.5N286 F316 N319 D321 I327 A328N286-I324 HydrophobicContact CB-CD1 4.39Å; F316-I324 HydrophobicContact CB-CG2 3.58Å; F316-I324 HydrophobicContact CD1-CG2 4.04Å; F316-I324 HydrophobicContact CD2-CG2 4.25Å; F316-I324 HydrophobicContact CG-CG2 3.72Å; N319-I324 HydrophobicContact CB-CB 4.18Å; N319-I324 HydrophobicContact CB-CG2 3.88Å; N319-I324 WeakPolarHBondContact ND2-CD1 3.28Å; D321-I324 HydrophobicContact CB-CB 4.29Å; D321-I324 HydrophobicContact CB-CD1 3.96Å; D321-I324 HydrophobicContact CB-CG1 4.07Å; D321-I324 PolarHBondContact O-N 3.03Å; D321-I324 VanDerWaalsContact O-N 3.16Å; I324-I327 PolarHBondContact O-N 3.2Å; I324-A328 WeakPolarHBondContact O-CB 3.34Å; I324-A328 PolarHBondContact O-N 3.39Å
325R92.4Very high90.7Very high35 Ų3557 Ų5713%0.13227%0.266CS..Hα-helixtrans-64.9-43.2174.3-68.1-168-76133.3-1.9113.1F316 L317 N319 D321 R322 I327 A328 M329 D356F316-R325 WeakPolarHBondContact O-CG 3.46Å; L317-R325 WeakPolarHBondContact O-CD 3.48Å; L317-R325 WeakPolarHBondContact O-CG 3.43Å; N319-R325 WeakPolarHBondContact O-CD 3.46Å; N319-R325 VanDerWaalsContact O-CG 3.23Å; N319-R325 WeakPolarHBondContact O-CG 3.5Å; N319-R325 PolarHBondContact O-NE 3.32Å; D321-R325 PolarHBondContact O-N 3.03Å; D321-R325 VanDerWaalsContact O-N 3.12Å; R322-R325 PolarHBondContact O-N 3.3Å; R325-I327 PolarHBondContact O-N 3.31Å; R325-A328 PolarHBondContact O-N 3.32Å; R325-M329 WeakPolarHBondContact O-CG 3.37Å; R325-M329 PolarHBondContact O-N 3.47Å; R325-D356 IonicContact CZ-OD2 3.86Å; R325-D356 IonicContact NH1-OD2 3.49Å; R325-D356 PolarHBondContact NH1-OD2 3.16Å; R325-D356 IonicContact NH2-OD2 3.38Å; R325-D356 PolarHBondContact NH2-OD2 3.47Å
326Y93.4Very high90.5Very high78 Ų7850 Ų5031%0.30624%0.241SC..Hα-helixtrans-59.2-46.4174.5175.3-89.1000111.8R322 N323 M329 T330 R364R322-Y326 WeakPolarHBondContact O-CB 3.47Å; R322-Y326 PolarHBondContact O-N 3.07Å; N323-Y326 PolarHBondContact O-N 3.38Å; Y326-M329 PolarHBondContact O-N 3.4Å; Y326-T330 WeakPolarHBondContact O-CB 3.46Å; Y326-T330 PolarHBondContact O-N 2.99Å; Y326-T330 PolarHBondContact O-OG1 3.3Å; Y326-R364 HydrophobicContact CD2-CG 3.72Å; Y326-R364 HydrophobicContact CE2-CG 3.36Å; Y326-R364 PolarHBondContact OH-NE 3.26Å; Y326-R364 PolarHBondContact OH-NH2 2.69Å; Y326-R364 VanDerWaalsContact OH-NH2 3.17Å
327I91.3Very high89.9Confident61 Ų6154.8 Ų54.831%0.31328%0.276SS..Hα-helixtrans-62.7-43.6177.5-72.9169.8000110.8Y290 N323 I324 R325 T330 S331Y290-I327 HydrophobicContact CD1-CG2 4.34Å; Y290-I327 HydrophobicContact CD2-CG2 3.22Å; Y290-I327 HydrophobicContact CE1-CG2 4.26Å; Y290-I327 HydrophobicContact CE2-CB 4.47Å; Y290-I327 HydrophobicContact CE2-CG2 3.1Å; Y290-I327 HydrophobicContact CG-CG2 3.85Å; N323-I327 VanDerWaalsContact O-CB 3.32Å; N323-I327 WeakPolarHBondContact O-CB 3.33Å; N323-I327 WeakPolarHBondContact O-CD1 3.47Å; N323-I327 WeakPolarHBondContact O-CG1 3.09Å; N323-I327 PolarHBondContact O-N 3.28Å; I324-I327 PolarHBondContact O-N 3.2Å; R325-I327 PolarHBondContact O-N 3.31Å; I327-T330 PolarHBondContact O-N 3.2Å; I327-S331 PolarHBondContact O-N 2.87Å
328A92.3Very high89.5Confident0 Ų058.8 Ų58.80%030%0.3CS..Hα-helixtrans-61-48.6177.700000112.5L313 F316 L317 I324 R325 T330 S331 L332L313-A328 HydrophobicContact CD2-CB 4.48Å; F316-A328 HydrophobicContact CB-CB 3.64Å; L317-A328 HydrophobicContact CD2-CB 3.93Å; L317-A328 HydrophobicContact CG-CB 4.14Å; I324-A328 WeakPolarHBondContact O-CB 3.34Å; I324-A328 PolarHBondContact O-N 3.39Å; R325-A328 PolarHBondContact O-N 3.32Å; A328-T330 VanDerWaalsContact C-N 3.34Å; A328-T330 PolarHBondContact O-N 2.83Å; A328-S331 PolarHBondContact O-N 2.79Å; A328-L332 VanDerWaalsContact O-CG 3.31Å; A328-L332 WeakPolarHBondContact O-CG 3.5Å; A328-L332 PolarHBondContact O-N 3.38Å
329M91.4Very high89Confident0 Ų055.6 Ų55.60%028%0.284CS..Hα-helixtrans-62.1-41.3176.8-68.3-176.2-67.400112.1L317 R325 Y326 S331 L332 Q333 C353 V361 R364 A365 L368L317-M329 HydrophobicContact CD2-CG 3.52Å; R325-M329 WeakPolarHBondContact O-CG 3.37Å; R325-M329 PolarHBondContact O-N 3.47Å; Y326-M329 PolarHBondContact O-N 3.4Å; M329-S331 VanDerWaalsContact C-N 3.29Å; M329-S331 PolarHBondContact O-N 3.49Å; M329-L332 PolarHBondContact O-N 3.06Å; M329-Q333 WeakPolarHBondContact O-CB 3.39Å; M329-Q333 PolarHBondContact O-N 3.01Å; M329-C353 HydrophobicContact SD-CB 4.09Å; M329-V361 HydrophobicContact CE-CB 4.21Å; M329-V361 HydrophobicContact CE-CG1 3.71Å; M329-V361 WeakPolarHBondContact CE-O 3.37Å; M329-R364 HydrophobicContact CB-CB 4.05Å; M329-R364 HydrophobicContact CE-CB 3.95Å; M329-R364 HydrophobicContact SD-CB 4.37Å; M329-A365 HydrophobicContact SD-CB 3.77Å; M329-L368 HydrophobicContact CB-CD2 4.01Å; M329-L368 HydrophobicContact CG-CD2 4.05Å
330T91Very high88.7Confident25 Ų2555.6 Ų55.615%0.15328%0.282CS..Hα-helixtrans-61.7-36.5177.2-55.80000111.9Y326 I327 A328Y326-T330 WeakPolarHBondContact O-CB 3.46Å; Y326-T330 PolarHBondContact O-N 2.99Å; Y326-T330 PolarHBondContact O-OG1 3.3Å; I327-T330 PolarHBondContact O-N 3.2Å; A328-T330 VanDerWaalsContact C-N 3.34Å; A328-T330 PolarHBondContact O-N 2.83Å
331S89.4Confident88.6Confident1 Ų154.2 Ų54.21%0.00728%0.275CS..Hα-helixtrans-72.3-47.1171.8-87.90000112.7Y290 L294 I327 A328 M329 Q333 K334 I335Y290-S331 WeakPolarHBondContact CE2-OG 3.28Å; L294-S331 VanDerWaalsContact CD2-OG 3.3Å; L294-S331 WeakPolarHBondContact CD2-OG 3.38Å; I327-S331 PolarHBondContact O-N 2.87Å; A328-S331 PolarHBondContact O-N 2.79Å; M329-S331 VanDerWaalsContact C-N 3.29Å; M329-S331 PolarHBondContact O-N 3.49Å; S331-Q333 PolarHBondContact O-N 2.97Å; S331-K334 WeakPolarHBondContact O-CB 3.26Å; S331-K334 PolarHBondContact O-N 2.76Å; S331-I335 WeakPolarHBondContact O-CG1 3.39Å; S331-I335 PolarHBondContact O-N 3.36Å
332L90.9Very high88.3Confident0 Ų052.8 Ų52.80%027%0.27CS..Hα-helixtrans-58-38.4179.7-70.1168.2000111.6L313 L317 A328 M329 K334 I335 V336 V343 I350 L368L313-L332 HydrophobicContact CB-CD1 4.49Å; L313-L332 HydrophobicContact CB-CD2 3.86Å; L313-L332 HydrophobicContact CB-CG 4.15Å; L313-L332 HydrophobicContact CD1-CD2 3.69Å; L313-L332 HydrophobicContact CD1-CG 4.06Å; L313-L332 HydrophobicContact CG-CD2 4.42Å; L317-L332 HydrophobicContact CD1-CD1 3.48Å; L317-L332 VanDerWaalsContact CD1-CD1 3.48Å; L317-L332 HydrophobicContact CD2-CD1 4.05Å; L317-L332 HydrophobicContact CG-CD1 3.83Å; A328-L332 VanDerWaalsContact O-CG 3.31Å; A328-L332 WeakPolarHBondContact O-CG 3.5Å; A328-L332 PolarHBondContact O-N 3.38Å; M329-L332 PolarHBondContact O-N 3.06Å; L332-K334 VanDerWaalsContact C-N 3.28Å; L332-K334 PolarHBondContact O-N 3.47Å; L332-I335 HydrophobicContact CD2-CD1 4.22Å; L332-I335 WeakPolarHBondContact O-CA 3.33Å; L332-I335 WeakPolarHBondContact O-CB 3.41Å; L332-I335 PolarHBondContact O-N 3.01Å; L332-V336 VanDerWaalsContact O-CG2 3.27Å; L332-V336 WeakPolarHBondContact O-CG2 3.35Å; L332-V336 PolarHBondContact O-N 3.36Å; L332-V336 VanDerWaalsContact O-N 3.08Å; L332-V343 HydrophobicContact CB-CG1 4.15Å; L332-V343 HydrophobicContact CD2-CG1 4.13Å; L332-V343 HydrophobicContact CD2-CG2 4.11Å; L332-I350 HydrophobicContact CD1-CD1 4.48Å; L332-L368 HydrophobicContact CB-CD1 4.21Å; L332-L368 HydrophobicContact CB-CD2 3.89Å; L332-L368 HydrophobicContact CD1-CD2 4.35Å
333Q89.5Confident88.1Confident59 Ų5946.7 Ų46.728%0.27625%0.247SC..Hα-helixtrans-55.1-39.3174.9-171.2178.819.800112.9M329 S331 I335 E367 L368M329-Q333 WeakPolarHBondContact O-CB 3.39Å; M329-Q333 PolarHBondContact O-N 3.01Å; S331-Q333 PolarHBondContact O-N 2.97Å; Q333-I335 VanDerWaalsContact C-N 3.31Å; Q333-I335 PolarHBondContact O-N 3.23Å; Q333-E367 PolarHBondContact NE2-OE2 2.73Å; Q333-L368 HydrophobicContact CB-CD1 4.27Å
334K85.3Confident87.9Confident137 Ų13743.5 Ų43.560%0.59623%0.229SC*.Hα-helixtrans-72.1-23175.4-64-179.9179-1770113.4S331 L332 S337S331-K334 WeakPolarHBondContact O-CB 3.26Å; S331-K334 PolarHBondContact O-N 2.76Å; L332-K334 VanDerWaalsContact C-N 3.28Å; L332-K334 PolarHBondContact O-N 3.47Å; K334-S337 PolarHBondContact O-OG 3.45Å
335I84.1Confident87.8Confident7 Ų751 Ų514%0.03626%0.256CS..Hα-helixtrans-86.9-25.9-178.3-56.6164.1000111.5L297 L313 S331 L332 Q333 S337 T338 D339 V343L297-I335 HydrophobicContact CD1-CD1 3.24Å; L297-I335 HydrophobicContact CD1-CG1 3.67Å; L297-I335 HydrophobicContact CD2-CD1 3.81Å; L297-I335 HydrophobicContact CD2-CG1 4Å; L297-I335 HydrophobicContact CD2-CG2 4.36Å; L297-I335 HydrophobicContact CG-CD1 4.13Å; L297-I335 HydrophobicContact CG-CG1 4.31Å; L313-I335 HydrophobicContact CD1-CD1 3.42Å; L313-I335 VanDerWaalsContact CD1-CD1 3.42Å; S331-I335 WeakPolarHBondContact O-CG1 3.39Å; S331-I335 PolarHBondContact O-N 3.36Å; L332-I335 HydrophobicContact CD2-CD1 4.22Å; L332-I335 WeakPolarHBondContact O-CA 3.33Å; L332-I335 WeakPolarHBondContact O-CB 3.41Å; L332-I335 PolarHBondContact O-N 3.01Å; Q333-I335 VanDerWaalsContact C-N 3.31Å; Q333-I335 PolarHBondContact O-N 3.23Å; I335-S337 PolarHBondContact O-N 2.89Å; I335-S337 VanDerWaalsContact O-N 3.09Å; I335-T338 PolarHBondContact O-N 3.41Å; I335-D339 HydrophobicContact CG2-CB 3.93Å; I335-D339 PolarHBondContact O-N 3.05Å; I335-V343 HydrophobicContact CB-CG2 4.14Å; I335-V343 HydrophobicContact CG2-CG2 3.92Å
336V86.3Confident87.7Confident13 Ų1351.1 Ų51.18%0.07926%0.258CS..THydrogen-bonded Turntrans-54.9-34.2-174.7-176.60000112.8L332 T338 H340 V343 L368 A371 L372L332-V336 VanDerWaalsContact O-CG2 3.27Å; L332-V336 WeakPolarHBondContact O-CG2 3.35Å; L332-V336 PolarHBondContact O-N 3.36Å; L332-V336 VanDerWaalsContact O-N 3.08Å; V336-T338 VanDerWaalsContact C-N 3.31Å; V336-T338 PolarHBondContact O-N 3.5Å; V336-H340 WeakPolarHBondContact CG1-ND1 3.44Å; V336-V343 HydrophobicContact CG2-CG1 4.26Å; V336-V343 HydrophobicContact CG2-CG2 4.49Å; V336-L368 HydrophobicContact CG2-CD1 3.56Å; V336-A371 HydrophobicContact CG1-CB 4.2Å; V336-A371 WeakPolarHBondContact CG1-O 3.45Å; V336-A371 HydrophobicContact CG2-CB 4.49Å; V336-L372 HydrophobicContact CG1-CD2 4.11Å; V336-L372 HydrophobicContact CG2-CD2 4.08Å; V336-L372 HydrophobicContact CG2-CG 4.4Å
337S81.4Confident87.6Confident109 Ų10953.1 Ų53.176%0.76227%0.265SS*.THydrogen-bonded Turntrans-70-23.6176.150.80000114.4K334 I335K334-S337 PolarHBondContact O-OG 3.45Å; I335-S337 PolarHBondContact O-N 2.89Å; I335-S337 VanDerWaalsContact O-N 3.09Å
338T81.4Confident87.6Confident87 Ų8752.1 Ų52.153%0.53427%0.269SS..THydrogen-bonded Turntrans-102-55.1-174.8-50.10000111.3I335 V336I335-T338 PolarHBondContact O-N 3.41Å; V336-T338 VanDerWaalsContact C-N 3.31Å; V336-T338 PolarHBondContact O-N 3.5Å
339D81.8Confident87.6Confident55 Ų5554 Ų5429%0.29428%0.281SS..  trans-126.755.7-170.5-76.6-47.9000111.6R306 I335 N341 A342 V343R306-D339 IonicContact NH1-OD2 3.75Å; I335-D339 HydrophobicContact CG2-CB 3.93Å; I335-D339 PolarHBondContact O-N 3.05Å; D339-N341 VanDerWaalsContact C-N 3.3Å; D339-N341 PolarHBondContact O-N 3.16Å; D339-A342 HydrophobicContact CB-CB 4.34Å; D339-A342 WeakPolarHBondContact O-CB 3.09Å; D339-A342 PolarHBondContact O-N 3.33Å; D339-V343 PolarHBondContact O-N 3.26Å
340H85.7Confident87.7Confident49 Ų4954 Ų5423%0.22728%0.281CS..Hα-helixtrans-48-45.2-176.5-17185.6000113.9V336 A342 V343 Q344V336-H340 WeakPolarHBondContact CG1-ND1 3.44Å; H340-A342 VanDerWaalsContact C-N 3.29Å; H340-A342 PolarHBondContact O-N 2.87Å; H340-V343 PolarHBondContact O-N 2.99Å; H340-Q344 PolarHBondContact CD2-NE2 3.31Å; H340-Q344 VanDerWaalsContact CD2-NE2 3.3Å; H340-Q344 PolarHBondContact NE2-NE2 3.17Å; H340-Q344 PolarHBondContact O-N 3.14Å
341N86.6Confident87.8Confident127 Ų12753.6 Ų53.668%0.67928%0.278SS*.Hα-helixtrans-65.2-28-177.6-69.5-27.9000113.7D339D339-N341 VanDerWaalsContact C-N 3.3Å; D339-N341 PolarHBondContact O-N 3.16Å
342A84.8Confident87.9Confident19 Ų1958 Ų5816%0.15730%0.302CS..Hα-helixtrans-74.1-44.317800000110.4V310 D339 H340 R345V310-A342 HydrophobicContact CB-CB 4.49Å; V310-A342 HydrophobicContact CG1-CB 4.1Å; V310-A342 HydrophobicContact CG2-CB 3.99Å; D339-A342 HydrophobicContact CB-CB 4.34Å; D339-A342 WeakPolarHBondContact O-CB 3.09Å; D339-A342 PolarHBondContact O-N 3.33Å; H340-A342 VanDerWaalsContact C-N 3.29Å; H340-A342 PolarHBondContact O-N 2.87Å; A342-R345 WeakPolarHBondContact O-CB 3.49Å; A342-R345 PolarHBondContact O-N 2.94Å
343V86.8Confident88Confident0 Ų058.3 Ų58.30%030%0.304CS..Hα-helixtrans-67.5-36178.3-171.80000111.8L332 I335 V336 D339 H340 R345 H346 I350 L368 L372L332-V343 HydrophobicContact CB-CG1 4.15Å; L332-V343 HydrophobicContact CD2-CG1 4.13Å; L332-V343 HydrophobicContact CD2-CG2 4.11Å; I335-V343 HydrophobicContact CB-CG2 4.14Å; I335-V343 HydrophobicContact CG2-CG2 3.92Å; V336-V343 HydrophobicContact CG2-CG1 4.26Å; V336-V343 HydrophobicContact CG2-CG2 4.49Å; D339-V343 PolarHBondContact O-N 3.26Å; H340-V343 PolarHBondContact O-N 2.99Å; V343-R345 PolarHBondContact O-N 3.09Å; V343-H346 PolarHBondContact O-N 2.93Å; V343-I350 HydrophobicContact CG1-CD1 4.23Å; V343-L368 HydrophobicContact CG1-CD1 4.5Å; V343-L372 HydrophobicContact CB-CD2 3.98Å; V343-L372 HydrophobicContact CG1-CD1 4.09Å; V343-L372 HydrophobicContact CG1-CD2 3.72Å; V343-L372 HydrophobicContact CG1-CG 4.41Å
344Q87.8Confident88.1Confident40 Ų4055.9 Ų55.919%0.18729%0.293CS..G310 helixtrans-53.7-26.9177.1-83.3-157.16.500114.1H340 H346 R347 L372 S374 N377H340-Q344 PolarHBondContact CD2-NE2 3.31Å; H340-Q344 VanDerWaalsContact CD2-NE2 3.3Å; H340-Q344 PolarHBondContact NE2-NE2 3.17Å; H340-Q344 PolarHBondContact O-N 3.14Å; Q344-H346 PolarHBondContact O-N 3.22Å; Q344-R347 VanDerWaalsContact O-CB 3.29Å; Q344-R347 WeakPolarHBondContact O-CB 3.2Å; Q344-R347 VanDerWaalsContact O-CG 3.29Å; Q344-R347 WeakPolarHBondContact O-CG 3.41Å; Q344-R347 PolarHBondContact O-N 3.47Å; Q344-L372 HydrophobicContact CG-CD2 4.43Å; Q344-S374 PolarHBondContact NE2-OG 3.05Å; Q344-N377 PolarHBondContact NE2-ND2 2.7Å
345R89.3Confident88.4Confident170 Ų17055.4 Ų55.464%0.64229%0.291SS*.G310 helixtrans-61.1-33.3177.6-62177.3-177.7171.30.1112.6A342 V343A342-R345 WeakPolarHBondContact O-CB 3.49Å; A342-R345 PolarHBondContact O-N 2.94Å; V343-R345 PolarHBondContact O-N 3.09Å
346H90.6Very high88.8Confident36 Ų3656.3 Ų56.317%0.16730%0.295CS..G310 helixtrans-938.8-178.6-61.1-67.8000113.6L317 V343 Q344 G348 T349 I350L317-H346 HydrophobicContact CD1-CB 3.89Å; V343-H346 PolarHBondContact O-N 2.93Å; Q344-H346 PolarHBondContact O-N 3.22Å; H346-G348 PolarHBondContact O-N 3.44Å; H346-G348 VanDerWaalsContact O-N 3.11Å; H346-T349 PolarHBondContact O-N 3.24Å; H346-I350 HydrophobicContact CB-CD1 4.27Å; H346-I350 WeakPolarHBondContact O-CG1 3.28Å; H346-I350 PolarHBondContact O-N 2.84Å; H346-I350 VanDerWaalsContact O-N 3.14Å
347R91Very high88.9Confident121 Ų12163.3 Ų63.346%0.45733%0.327SS..Hα-helixtrans-51.8-38-17671.7-176.1-172.1177.21.4114.1Q344 I350 V351Q344-R347 VanDerWaalsContact O-CB 3.29Å; Q344-R347 WeakPolarHBondContact O-CB 3.2Å; Q344-R347 VanDerWaalsContact O-CG 3.29Å; Q344-R347 WeakPolarHBondContact O-CG 3.41Å; Q344-R347 PolarHBondContact O-N 3.47Å; R347-I350 PolarHBondContact O-N 3.25Å; R347-V351 WeakPolarHBondContact O-CG2 3.43Å; R347-V351 PolarHBondContact O-N 2.98Å
348G91.9Very high89.5Confident39 Ų3960.4 Ų60.440%0.40230%0.303SS..Hα-helixtrans-61.3-54.7-179.200000111.2H346 I350 V351 D352H346-G348 PolarHBondContact O-N 3.44Å; H346-G348 VanDerWaalsContact O-N 3.11Å; G348-I350 VanDerWaalsContact C-N 3.26Å; G348-I350 PolarHBondContact O-N 3.08Å; G348-V351 PolarHBondContact O-N 3.32Å; G348-V351 VanDerWaalsContact O-N 3.11Å; G348-D352 PolarHBondContact O-N 2.94Å
349T92.4Very high89.9Confident39 Ų3958.4 Ų58.424%0.23930%0.296CS..Hα-helixtrans-58.5-35.6176.6-450000112.8L317 L318 H346 D352 C353L317-T349 HydrophobicContact CB-CG2 4.01Å; L318-T349 HydrophobicContact CD2-CG2 3.66Å; L318-T349 HydrophobicContact CG-CG2 4.35Å; H346-T349 PolarHBondContact O-N 3.24Å; T349-D352 PolarHBondContact O-N 3.01Å; T349-C353 PolarHBondContact O-N 3.5Å; T349-C353 VanDerWaalsContact O-N 3.1Å; T349-C353 PolarHBondContact O-SG 3.29Å
350I93.6Very high90.4Very high1 Ų158.4 Ų58.41%0.00530%0.3CS..Hα-helixtrans-68.4-42.8177.1-64.5164.1000111L317 L332 V343 H346 R347 G348 C353 L368 L372L317-I350 HydrophobicContact CD1-CD1 4.28Å; L317-I350 HydrophobicContact CD1-CG1 3.8Å; L332-I350 HydrophobicContact CD1-CD1 4.48Å; V343-I350 HydrophobicContact CG1-CD1 4.23Å; H346-I350 HydrophobicContact CB-CD1 4.27Å; H346-I350 WeakPolarHBondContact O-CG1 3.28Å; H346-I350 PolarHBondContact O-N 2.84Å; H346-I350 VanDerWaalsContact O-N 3.14Å; R347-I350 PolarHBondContact O-N 3.25Å; G348-I350 VanDerWaalsContact C-N 3.26Å; G348-I350 PolarHBondContact O-N 3.08Å; I350-C353 WeakPolarHBondContact O-CB 3.34Å; I350-C353 PolarHBondContact O-N 2.91Å; I350-L368 HydrophobicContact CD1-CD2 3.73Å; I350-L368 HydrophobicContact CD1-CG 4.19Å; I350-L368 HydrophobicContact CG1-CD2 3.99Å; I350-L368 HydrophobicContact CG2-CB 4.24Å; I350-L368 HydrophobicContact CG2-CD2 3.87Å; I350-L368 HydrophobicContact CG2-CG 3.91Å; I350-L372 HydrophobicContact CD1-CD1 3.64Å; I350-L372 HydrophobicContact CG2-CD1 4.44Å
351V92.9Very high90.7Very high16 Ų1656.1 Ų56.110%0.09729%0.289CS..Hα-helixtrans-65.5-39.3174.71700000111.4R347 G348 C353 L354 M381 E384R347-V351 WeakPolarHBondContact O-CG2 3.43Å; R347-V351 PolarHBondContact O-N 2.98Å; G348-V351 PolarHBondContact O-N 3.32Å; G348-V351 VanDerWaalsContact O-N 3.11Å; V351-C353 PolarHBondContact O-N 3.36Å; V351-L354 HydrophobicContact CG1-CD1 4.37Å; V351-L354 WeakPolarHBondContact O-CB 3.19Å; V351-L354 WeakPolarHBondContact O-CG 3.34Å; V351-L354 PolarHBondContact O-N 3.41Å; V351-M381 HydrophobicContact CG2-CE 3.35Å; V351-M381 HydrophobicContact CG2-SD 4.16Å; V351-E384 HydrophobicContact CG1-CB 3.94Å; V351-E384 HydrophobicContact CG1-CG 3.92Å
352D92.3Very high91Very high95 Ų9552 Ų5251%0.50827%0.265SS..Hα-helixtrans-64.2-28.4174.8-67.9-37.2000112.2G348 T349 L354 K355G348-D352 PolarHBondContact O-N 2.94Å; T349-D352 PolarHBondContact O-N 3.01Å; D352-L354 PolarHBondContact O-N 3.39Å; D352-K355 WeakPolarHBondContact O-CB 3.23Å; D352-K355 PolarHBondContact O-N 3.29Å; D352-K355 IonicContact OD1-NZ 2.9Å
353C92.7Very high91.4Very high6 Ų654.6 Ų54.64%0.04127%0.271CS..G310 helixtrans-67.7-16.2172.3-67.80000114.1M329 T349 I350 V351 K355 D356 V361 A365M329-C353 HydrophobicContact SD-CB 4.09Å; T349-C353 PolarHBondContact O-N 3.5Å; T349-C353 VanDerWaalsContact O-N 3.1Å; T349-C353 PolarHBondContact O-SG 3.29Å; I350-C353 WeakPolarHBondContact O-CB 3.34Å; I350-C353 PolarHBondContact O-N 2.91Å; V351-C353 PolarHBondContact O-N 3.36Å; C353-K355 PolarHBondContact O-N 2.84Å; C353-D356 WeakPolarHBondContact O-CB 3.42Å; C353-D356 PolarHBondContact O-N 3.46Å; C353-V361 HydrophobicContact CB-CG1 4.28Å; C353-A365 HydrophobicContact CB-CB 3.81Å
354L92.2Very high91.8Very high7 Ų757.6 Ų57.64%0.03728%0.283CS..G310 helixtrans-63.9-24.6168.6-61.6170.8000111.8V351 D352 A365 L366 F388V351-L354 HydrophobicContact CG1-CD1 4.37Å; V351-L354 WeakPolarHBondContact O-CB 3.19Å; V351-L354 WeakPolarHBondContact O-CG 3.34Å; V351-L354 PolarHBondContact O-N 3.41Å; D352-L354 PolarHBondContact O-N 3.39Å; L354-A365 HydrophobicContact CD2-CB 3.78Å; L354-A365 HydrophobicContact CG-CB 4.24Å; L354-L366 HydrophobicContact CD2-CB 4.11Å; L354-F388 HydrophobicContact CB-CD2 3.77Å; L354-F388 HydrophobicContact CB-CE2 4.15Å; L354-F388 HydrophobicContact CB-CG 4.37Å; L354-F388 HydrophobicContact CD1-CB 4.44Å; L354-F388 HydrophobicContact CD2-CD2 4.28Å; L354-F388 HydrophobicContact CD2-CE2 4.31Å; L354-F388 HydrophobicContact CD2-CG 4.38Å; L354-F388 HydrophobicContact CD2-CZ 4.47Å; L354-F388 HydrophobicContact CG-CD2 4.49Å; L354-F388 WeakPolarHBondContact O-CE2 3.45Å
355K91.3Very high92.1Very high128 Ų12855.7 Ų55.756%0.55727%0.274SS*.G310 helixtrans-94.36.6-178.8-56.1165.8-171.6156.50113D352 C353 E384D352-K355 WeakPolarHBondContact O-CB 3.23Å; D352-K355 PolarHBondContact O-N 3.29Å; D352-K355 IonicContact OD1-NZ 2.9Å; C353-K355 PolarHBondContact O-N 2.84Å; K355-E384 IonicContact NZ-OE2 2.73Å
356D91.6Very high92.3Very high25 Ų2547.6 Ų47.613%0.13424%0.243CC..SBendtrans-62.9172.7174.8-158.8-83.5000111.2R322 R325 C353 D358 V361 K362R322-D356 IonicContact NE-OD1 2.8Å; R325-D356 IonicContact CZ-OD2 3.86Å; R325-D356 IonicContact NH1-OD2 3.49Å; R325-D356 PolarHBondContact NH1-OD2 3.16Å; R325-D356 IonicContact NH2-OD2 3.38Å; R325-D356 PolarHBondContact NH2-OD2 3.47Å; C353-D356 WeakPolarHBondContact O-CB 3.42Å; C353-D356 PolarHBondContact O-N 3.46Å; D356-D358 PolarHBondContact OD1-N 2.94Å; D356-V361 HydrophobicContact CB-CB 4.35Å; D356-V361 HydrophobicContact CB-CG1 3.73Å; D356-K362 WeakPolarHBondContact O-CE 3.48Å; D356-K362 PolarHBondContact O-NZ 3.21Å
357Q89.9Confident92.5Very high160 Ų16047.5 Ų47.575%0.74824%0.243SC*.SBendtrans-91.7-24.1173.6-63.4-62.6-17.600112.2
358D92.1Very high92.6Very high49 Ų4941.8 Ų41.826%0.26222%0.221SC..  trans-81.5126.6-176.5-173.9-77.5000112.9D356 S360 V361 K362D356-D358 PolarHBondContact OD1-N 2.94Å; D358-S360 VanDerWaalsContact C-N 3.33Å; D358-S360 PolarHBondContact O-N 3.02Å; D358-S360 WeakPolarHBondContact OD1-CA 3.33Å; D358-S360 WeakPolarHBondContact OD1-CB 3.45Å; D358-S360 PolarHBondContact OD1-N 2.96Å; D358-V361 HydrophobicContact CB-CB 4.02Å; D358-V361 HydrophobicContact CB-CG2 3.87Å; D358-V361 PolarHBondContact O-N 3.17Å; D358-V361 PolarHBondContact OD1-N 2.87Å; D358-K362 WeakPolarHBondContact O-CG 3.49Å; D358-K362 PolarHBondContact O-N 3.34Å
359A90.1Very high92.7Very high45 Ų4540 Ų4037%0.37220%0.202SC..Hα-helixtrans-66.7-29.9-177.600000113.7R363A359-R363 WeakPolarHBondContact O-CB 3.45Å; A359-R363 PolarHBondContact O-N 3.03Å
360S92.6Very high92.8Very high55 Ų5539.6 Ų39.639%0.38520%0.199SC..Hα-helixtrans-74.7-38.8177.8-520000111.1D358 R363 R364D358-S360 VanDerWaalsContact C-N 3.33Å; D358-S360 PolarHBondContact O-N 3.02Å; D358-S360 WeakPolarHBondContact OD1-CA 3.33Å; D358-S360 WeakPolarHBondContact OD1-CB 3.45Å; D358-S360 PolarHBondContact OD1-N 2.96Å; S360-R363 PolarHBondContact O-N 3.1Å; S360-R364 PolarHBondContact O-N 3.36Å; S360-R364 VanDerWaalsContact O-N 3.17Å
361V93.1Very high92.7Very high1 Ų141.7 Ų41.71%0.00622%0.216CC..Hα-helixtrans-61.6-49.3170.7174.30000109.9R322 M329 C353 D356 D358 R363 R364 A365R322-V361 HydrophobicContact CB-CG2 4.27Å; M329-V361 HydrophobicContact CE-CB 4.21Å; M329-V361 HydrophobicContact CE-CG1 3.71Å; M329-V361 WeakPolarHBondContact CE-O 3.37Å; C353-V361 HydrophobicContact CB-CG1 4.28Å; D356-V361 HydrophobicContact CB-CB 4.35Å; D356-V361 HydrophobicContact CB-CG1 3.73Å; D358-V361 HydrophobicContact CB-CB 4.02Å; D358-V361 HydrophobicContact CB-CG2 3.87Å; D358-V361 PolarHBondContact O-N 3.17Å; D358-V361 PolarHBondContact OD1-N 2.87Å; V361-R363 PolarHBondContact O-N 3.49Å; V361-R364 PolarHBondContact O-N 2.95Å; V361-A365 VanDerWaalsContact O-CB 3.32Å; V361-A365 WeakPolarHBondContact O-CB 3.46Å; V361-A365 PolarHBondContact O-N 3.01Å
362K92.5Very high92.7Very high39 Ų3941 Ų4117%0.1721%0.212CC..Hα-helixtrans-55.3-47.1174.9-73.9-176.4-174.2-177.60113.1D356 D358 R364 A365 L366 F388 L396D356-K362 WeakPolarHBondContact O-CE 3.48Å; D356-K362 PolarHBondContact O-NZ 3.21Å; D358-K362 WeakPolarHBondContact O-CG 3.49Å; D358-K362 PolarHBondContact O-N 3.34Å; K362-R364 PolarHBondContact O-N 2.71Å; K362-A365 PolarHBondContact O-N 3.13Å; K362-L366 WeakPolarHBondContact O-CB 3.43Å; K362-L366 PolarHBondContact O-N 3.16Å; K362-F388 HydrophobicContact CB-CZ 4.47Å; K362-F388 HydrophobicContact CD-CE2 4.29Å; K362-F388 HydrophobicContact CG-CE2 4.46Å; K362-L396 HydrophobicContact CB-CD1 4.01Å
363R93.5Very high92.7Very high74 Ų7436.7 Ų36.728%0.27919%0.189SC..Hα-helixtrans-58.5-47.5-179.5-174.3176.1-74.7123.91.3111.5A359 S360 V361 L366 E367 E395 L396A359-R363 WeakPolarHBondContact O-CB 3.45Å; A359-R363 PolarHBondContact O-N 3.03Å; S360-R363 PolarHBondContact O-N 3.1Å; V361-R363 PolarHBondContact O-N 3.49Å; R363-L366 PolarHBondContact O-N 2.89Å; R363-E367 WeakPolarHBondContact O-CG 3.31Å; R363-E367 PolarHBondContact O-N 3.11Å; R363-E367 VanDerWaalsContact O-N 3.08Å; R363-E395 IonicContact NH2-OE2 3.45Å; R363-E395 PolarHBondContact NH2-OE2 2.87Å; R363-L396 HydrophobicContact CB-CD1 4.32Å; R363-L396 HydrophobicContact CB-CD2 3.89Å; R363-L396 HydrophobicContact CG-CD2 3.8Å; R363-L396 VanDerWaalsContact NE-CD2 3.34Å
364R94Very high92.6Very high64 Ų6437.2 Ų37.224%0.24219%0.193CC..Hα-helixtrans-70.9-35.9177.1-66.4-59.1-178.7-152.1-4.6113.3Y326 M329 S360 V361 K362 L366 E367 L368Y326-R364 HydrophobicContact CD2-CG 3.72Å; Y326-R364 HydrophobicContact CE2-CG 3.36Å; Y326-R364 PolarHBondContact OH-NE 3.26Å; Y326-R364 PolarHBondContact OH-NH2 2.69Å; Y326-R364 VanDerWaalsContact OH-NH2 3.17Å; M329-R364 HydrophobicContact CB-CB 4.05Å; M329-R364 HydrophobicContact CE-CB 3.95Å; M329-R364 HydrophobicContact SD-CB 4.37Å; S360-R364 PolarHBondContact O-N 3.36Å; S360-R364 VanDerWaalsContact O-N 3.17Å; V361-R364 PolarHBondContact O-N 2.95Å; K362-R364 PolarHBondContact O-N 2.71Å; R364-L366 VanDerWaalsContact C-N 3.33Å; R364-E367 IonicContact CZ-OE2 3.27Å; R364-E367 IonicContact NH1-OE1 2.7Å; R364-E367 PolarHBondContact NH1-OE1 3.33Å; R364-E367 IonicContact NH1-OE2 3.81Å; R364-E367 PolarHBondContact NH1-OE2 2.79Å; R364-E367 PolarHBondContact O-N 2.78Å; R364-L368 WeakPolarHBondContact O-CB 3.46Å; R364-L368 PolarHBondContact O-N 3.02Å
365A94.6Very high92.5Very high0 Ų040.6 Ų40.60%022%0.221CC..Hα-helixtrans-62.5-40.9174.100000111.4M329 C353 L354 V361 K362 S369M329-A365 HydrophobicContact SD-CB 3.77Å; C353-A365 HydrophobicContact CB-CB 3.81Å; L354-A365 HydrophobicContact CD2-CB 3.78Å; L354-A365 HydrophobicContact CG-CB 4.24Å; V361-A365 VanDerWaalsContact O-CB 3.32Å; V361-A365 WeakPolarHBondContact O-CB 3.46Å; V361-A365 PolarHBondContact O-N 3.01Å; K362-A365 PolarHBondContact O-N 3.13Å; A365-S369 WeakPolarHBondContact O-CB 3.27Å; A365-S369 PolarHBondContact O-N 2.67Å; A365-S369 PolarHBondContact O-OG 3.04Å
366L94.3Very high92.5Very high0 Ų039.5 Ų39.50%023%0.23CC..Hα-helixtrans-62.3-54.1174.8174.366.4000111.4L354 K362 R363 R364 L368 S369 L370 L385 F388 Q399 A400L354-L366 HydrophobicContact CD2-CB 4.11Å; K362-L366 WeakPolarHBondContact O-CB 3.43Å; K362-L366 PolarHBondContact O-N 3.16Å; R363-L366 PolarHBondContact O-N 2.89Å; R364-L366 VanDerWaalsContact C-N 3.33Å; L366-L368 VanDerWaalsContact C-N 3.3Å; L366-L368 PolarHBondContact O-N 3.22Å; L366-S369 PolarHBondContact O-N 3.06Å; L366-L370 HydrophobicContact CD1-CD1 3.87Å; L366-L370 HydrophobicContact CD1-CG 4.16Å; L366-L370 HydrophobicContact CG-CD1 3.93Å; L366-L370 WeakPolarHBondContact O-CB 3.3Å; L366-L370 VanDerWaalsContact O-CG 3.28Å; L366-L370 WeakPolarHBondContact O-CG 3.49Å; L366-L370 PolarHBondContact O-N 3.02Å; L366-L385 HydrophobicContact CD1-CD2 4.04Å; L366-F388 HydrophobicContact CB-CE1 4.31Å; L366-F388 HydrophobicContact CD1-CD1 4.04Å; L366-F388 HydrophobicContact CD1-CE1 3.9Å; L366-F388 HydrophobicContact CD2-CE1 4.11Å; L366-F388 HydrophobicContact CG-CE1 4.31Å; L366-Q399 HydrophobicContact CD2-CG 4.41Å; L366-A400 HydrophobicContact CD1-CB 4.02Å; L366-A400 HydrophobicContact CD2-CB 3.86Å
367E93.5Very high92.5Very high34 Ų3438.6 Ų38.616%0.15923%0.225CC..Hα-helixtrans-57.8-42.7179.2-71.2170.9-168.100112.2Q333 R363 R364 A371 Q399Q333-E367 PolarHBondContact NE2-OE2 2.73Å; R363-E367 WeakPolarHBondContact O-CG 3.31Å; R363-E367 PolarHBondContact O-N 3.11Å; R363-E367 VanDerWaalsContact O-N 3.08Å; R364-E367 IonicContact CZ-OE2 3.27Å; R364-E367 IonicContact NH1-OE1 2.7Å; R364-E367 PolarHBondContact NH1-OE1 3.33Å; R364-E367 IonicContact NH1-OE2 3.81Å; R364-E367 PolarHBondContact NH1-OE2 2.79Å; R364-E367 PolarHBondContact O-N 2.78Å; E367-A371 WeakPolarHBondContact O-CB 2.82Å; E367-A371 PolarHBondContact O-N 3.48Å; E367-Q399 VanDerWaalsContact CG-NE2 3.34Å; E367-Q399 PolarHBondContact OE1-NE2 3.33Å
368L94.1Very high92.7Very high0 Ų031 Ų310%019%0.19CC..Hα-helixtrans-70.1-40.1178-176.456.9000112.1M329 L332 Q333 V336 V343 I350 R364 L366 L370 A371 L372M329-L368 HydrophobicContact CB-CD2 4.01Å; M329-L368 HydrophobicContact CG-CD2 4.05Å; L332-L368 HydrophobicContact CB-CD1 4.21Å; L332-L368 HydrophobicContact CB-CD2 3.89Å; L332-L368 HydrophobicContact CD1-CD2 4.35Å; Q333-L368 HydrophobicContact CB-CD1 4.27Å; V336-L368 HydrophobicContact CG2-CD1 3.56Å; V343-L368 HydrophobicContact CG1-CD1 4.5Å; I350-L368 HydrophobicContact CD1-CD2 3.73Å; I350-L368 HydrophobicContact CD1-CG 4.19Å; I350-L368 HydrophobicContact CG1-CD2 3.99Å; I350-L368 HydrophobicContact CG2-CB 4.24Å; I350-L368 HydrophobicContact CG2-CD2 3.87Å; I350-L368 HydrophobicContact CG2-CG 3.91Å; R364-L368 WeakPolarHBondContact O-CB 3.46Å; R364-L368 PolarHBondContact O-N 3.02Å; L366-L368 VanDerWaalsContact C-N 3.3Å; L366-L368 PolarHBondContact O-N 3.22Å; L368-L370 VanDerWaalsContact C-N 3.34Å; L368-A371 PolarHBondContact O-N 2.86Å; L368-L372 HydrophobicContact CD1-CD1 4.2Å; L368-L372 HydrophobicContact CD1-CG 4.33Å; L368-L372 HydrophobicContact CG-CD1 4.05Å; L368-L372 WeakPolarHBondContact O-CB 3.46Å; L368-L372 VanDerWaalsContact O-CG 3.25Å; L368-L372 WeakPolarHBondContact O-CG 3.39Å; L368-L372 PolarHBondContact O-N 2.73Å
369S94.3Very high92.8Very high1 Ų136.5 Ų36.51%0.00721%0.207CC..Hα-helixtrans-62.6-42.2175.8-63.50000111.5A365 L366 L372 V373A365-S369 WeakPolarHBondContact O-CB 3.27Å; A365-S369 PolarHBondContact O-N 2.67Å; A365-S369 PolarHBondContact O-OG 3.04Å; L366-S369 PolarHBondContact O-N 3.06Å; S369-L372 PolarHBondContact O-N 3.37Å; S369-V373 WeakPolarHBondContact O-CG2 3.24Å; S369-V373 PolarHBondContact O-N 3.34Å
370L93.1Very high92.9Very high32 Ų3237.6 Ų37.617%0.16821%0.211CC..Hα-helixtrans-64-42.5175-71.5169000112L366 L368 L372 V373 L385 G403 I404L366-L370 HydrophobicContact CD1-CD1 3.87Å; L366-L370 HydrophobicContact CD1-CG 4.16Å; L366-L370 HydrophobicContact CG-CD1 3.93Å; L366-L370 WeakPolarHBondContact O-CB 3.3Å; L366-L370 VanDerWaalsContact O-CG 3.28Å; L366-L370 WeakPolarHBondContact O-CG 3.49Å; L366-L370 PolarHBondContact O-N 3.02Å; L368-L370 VanDerWaalsContact C-N 3.34Å; L370-L372 VanDerWaalsContact C-N 3.27Å; L370-L372 PolarHBondContact O-N 3.38Å; L370-V373 WeakPolarHBondContact O-CG2 3.39Å; L370-V373 PolarHBondContact O-N 3.12Å; L370-L385 HydrophobicContact CD2-CD1 3.9Å; L370-L385 HydrophobicContact CD2-CD2 4.37Å; L370-G403 VanDerWaalsContact CD2-C 3.47Å; L370-I404 HydrophobicContact CD2-CG1 4.5Å
371A92.3Very high92.9Very high44 Ų4435.4 Ų35.436%0.36420%0.195SC..Hα-helixtrans-66.6-26.6175.900000113.4V336 E367 L368 V373V336-A371 HydrophobicContact CG1-CB 4.2Å; V336-A371 WeakPolarHBondContact CG1-O 3.45Å; V336-A371 HydrophobicContact CG2-CB 4.49Å; E367-A371 WeakPolarHBondContact O-CB 2.82Å; E367-A371 PolarHBondContact O-N 3.48Å; L368-A371 PolarHBondContact O-N 2.86Å; A371-V373 VanDerWaalsContact C-N 3.34Å
372L91.8Very high93Very high3 Ų335.4 Ų35.42%0.01620%0.195CC..THydrogen-bonded Turntrans-83.5-4.4177.6-72.8170.3000114.2V336 V343 Q344 I350 L368 S369 L370 S374 N377V336-L372 HydrophobicContact CG1-CD2 4.11Å; V336-L372 HydrophobicContact CG2-CD2 4.08Å; V336-L372 HydrophobicContact CG2-CG 4.4Å; V343-L372 HydrophobicContact CB-CD2 3.98Å; V343-L372 HydrophobicContact CG1-CD1 4.09Å; V343-L372 HydrophobicContact CG1-CD2 3.72Å; V343-L372 HydrophobicContact CG1-CG 4.41Å; Q344-L372 HydrophobicContact CG-CD2 4.43Å; I350-L372 HydrophobicContact CD1-CD1 3.64Å; I350-L372 HydrophobicContact CG2-CD1 4.44Å; L368-L372 HydrophobicContact CD1-CD1 4.2Å; L368-L372 HydrophobicContact CD1-CG 4.33Å; L368-L372 HydrophobicContact CG-CD1 4.05Å; L368-L372 WeakPolarHBondContact O-CB 3.46Å; L368-L372 VanDerWaalsContact O-CG 3.25Å; L368-L372 WeakPolarHBondContact O-CG 3.39Å; L368-L372 PolarHBondContact O-N 2.73Å; S369-L372 PolarHBondContact O-N 3.37Å; L370-L372 VanDerWaalsContact C-N 3.27Å; L370-L372 PolarHBondContact O-N 3.38Å; L372-S374 PolarHBondContact O-N 2.89Å; L372-N377 PolarHBondContact O-ND2 3.41Å
373V93.3Very high93Very high4 Ų440.2 Ų40.22%0.02422%0.216CC..  trans-67.1132.5175.8-175.40000110.5S369 L370 A371 N377 I378 M381 L385 A407 Y411S369-V373 WeakPolarHBondContact O-CG2 3.24Å; S369-V373 PolarHBondContact O-N 3.34Å; L370-V373 WeakPolarHBondContact O-CG2 3.39Å; L370-V373 PolarHBondContact O-N 3.12Å; A371-V373 VanDerWaalsContact C-N 3.34Å; V373-N377 WeakPolarHBondContact CA-OD1 3.44Å; V373-I378 HydrophobicContact CG1-CB 4.29Å; V373-I378 HydrophobicContact CG1-CD1 3.44Å; V373-I378 VanDerWaalsContact CG1-CD1 3.44Å; V373-I378 HydrophobicContact CG1-CG1 4.45Å; V373-M381 HydrophobicContact CG2-CB 4.39Å; V373-L385 HydrophobicContact CG2-CD1 4.18Å; V373-A407 HydrophobicContact CB-CB 4.4Å; V373-A407 HydrophobicContact CG1-CB 4.22Å; V373-A407 HydrophobicContact CG2-CB 4.4Å; V373-Y411 HydrophobicContact CG1-CD2 3.94Å; V373-Y411 WeakPolarHBondContact O-CE2 3.22Å
374S91.4Very high93Very high17 Ų1739.6 Ų39.612%0.11922%0.216CC..  trans-145.5164.3177.8630000110.4Q344 L372 S376 N377 I378Q344-S374 PolarHBondContact NE2-OG 3.05Å; L372-S374 PolarHBondContact O-N 2.89Å; S374-S376 PolarHBondContact O-N 2.83Å; S374-S376 PolarHBondContact OG-OG 2.9Å; S374-N377 PolarHBondContact N-OD1 3.06Å; S374-N377 PolarHBondContact O-N 3.37Å; S374-N377 PolarHBondContact O-OD1 3.28Å; S374-N377 VanDerWaalsContact OG-CG 3.24Å; S374-N377 PolarHBondContact OG-ND2 3.14Å; S374-N377 PolarHBondContact OG-OD1 2.87Å; S374-I378 PolarHBondContact O-N 3.12Å
375A90Very high93.1Very high77 Ų7736.6 Ų36.664%0.63621%0.205SC*.THydrogen-bonded Turntrans-56.1-25.5-177.700000114.5Y411A375-Y411 HydrophobicContact CB-CD1 4.27Å
376S90.6Very high93Very high105 Ų10537.7 Ų37.773%0.73421%0.211SC*.THydrogen-bonded Turntrans-83.7-25.917862.20000114.1S374S374-S376 PolarHBondContact O-N 2.83Å; S374-S376 PolarHBondContact OG-OG 2.9Å
377N91.7Very high92.9Very high6 Ų641.7 Ų41.73%0.03223%0.231CC..THydrogen-bonded Turntrans-113.1-8.6-172.973.425.4000114.2Q344 L372 V373 S374 R379 S380 M381Q344-N377 PolarHBondContact NE2-ND2 2.7Å; L372-N377 PolarHBondContact O-ND2 3.41Å; V373-N377 WeakPolarHBondContact CA-OD1 3.44Å; S374-N377 PolarHBondContact N-OD1 3.06Å; S374-N377 PolarHBondContact O-N 3.37Å; S374-N377 PolarHBondContact O-OD1 3.28Å; S374-N377 VanDerWaalsContact OG-CG 3.24Å; S374-N377 PolarHBondContact OG-ND2 3.14Å; S374-N377 PolarHBondContact OG-OD1 2.87Å; N377-R379 VanDerWaalsContact C-N 3.3Å; N377-R379 PolarHBondContact O-N 2.96Å; N377-R379 VanDerWaalsContact O-N 3.13Å; N377-S380 PolarHBondContact O-N 3.39Å; N377-S380 VanDerWaalsContact O-N 3.17Å; N377-S380 PolarHBondContact O-OG 3.35Å; N377-S380 VanDerWaalsContact O-OG 3.13Å; N377-M381 HydrophobicContact CB-CG 4.21Å; N377-M381 WeakPolarHBondContact O-CB 3.25Å; N377-M381 PolarHBondContact O-N 2.87Å
378I94.8Very high92.9Very high2 Ų240.5 Ų40.51%0.0123%0.226CC..Hα-helixtrans-45.6-46.4-176.8-177.964.6000113.7V373 S374 S380 M382 W417V373-I378 HydrophobicContact CG1-CB 4.29Å; V373-I378 HydrophobicContact CG1-CD1 3.44Å; V373-I378 VanDerWaalsContact CG1-CD1 3.44Å; V373-I378 HydrophobicContact CG1-CG1 4.45Å; S374-I378 PolarHBondContact O-N 3.12Å; I378-S380 PolarHBondContact O-N 3.28Å; I378-M382 HydrophobicContact CD1-CE 3.81Å; I378-M382 WeakPolarHBondContact O-CB 3.43Å; I378-M382 PolarHBondContact O-N 2.94Å; I378-W417 HydrophobicContact CD1-CH2 3.76Å; I378-W417 HydrophobicContact CD1-CZ3 4.36Å; I378-W417 HydrophobicContact CG1-CH2 3.48Å; I378-W417 VanDerWaalsContact CG1-CH2 3.48Å; I378-W417 HydrophobicContact CG1-CZ2 4.14Å; I378-W417 HydrophobicContact CG1-CZ3 3.98Å
379R93Very high92.8Very high164 Ų16440.5 Ų40.562%0.61923%0.226SC*.Hα-helixtrans-64.6-42.8-176.1-71-171.2177.1107.6-7.1113.5N377 P413N377-R379 VanDerWaalsContact C-N 3.3Å; N377-R379 PolarHBondContact O-N 2.96Å; N377-R379 VanDerWaalsContact O-N 3.13Å; R379-P413 HydrophobicContact CG-CG 4.24Å
380S92.5Very high92.6Very high67 Ų6744.6 Ų44.647%0.46925%0.254SS..Hα-helixtrans-79-40.1179.353.20000111.5N377 I378 K383 E384N377-S380 PolarHBondContact O-N 3.39Å; N377-S380 VanDerWaalsContact O-N 3.17Å; N377-S380 PolarHBondContact O-OG 3.35Å; N377-S380 VanDerWaalsContact O-OG 3.13Å; I378-S380 PolarHBondContact O-N 3.28Å; S380-K383 PolarHBondContact O-N 2.89Å; S380-E384 PolarHBondContact O-N 2.77Å
381M93.3Very high92.5Very high9 Ų946.9 Ų46.94%0.04427%0.273CS..Hα-helixtrans-65.3-41.9179.1-78-88.53200112.3V351 V373 N377 K383 E384 L385V351-M381 HydrophobicContact CG2-CE 3.35Å; V351-M381 HydrophobicContact CG2-SD 4.16Å; V373-M381 HydrophobicContact CG2-CB 4.39Å; N377-M381 HydrophobicContact CB-CG 4.21Å; N377-M381 WeakPolarHBondContact O-CB 3.25Å; N377-M381 PolarHBondContact O-N 2.87Å; M381-K383 VanDerWaalsContact C-N 3.29Å; M381-K383 PolarHBondContact O-N 3.49Å; M381-E384 PolarHBondContact O-N 3.15Å; M381-L385 WeakPolarHBondContact O-CG 3.42Å; M381-L385 PolarHBondContact O-N 3.39Å
382M94.9Very high92.3Very high2 Ų245 Ų451%0.0126%0.257CS..Hα-helixtrans-62.8-36.7178.4-168.757.672.200112.1I378 E384 L385 L386 I404 A407 A408 W417 T421I378-M382 HydrophobicContact CD1-CE 3.81Å; I378-M382 WeakPolarHBondContact O-CB 3.43Å; I378-M382 PolarHBondContact O-N 2.94Å; M382-E384 PolarHBondContact O-N 3.28Å; M382-L385 PolarHBondContact O-N 3.29Å; M382-L386 HydrophobicContact CG-CD1 3.8Å; M382-L386 HydrophobicContact CG-CG 4.16Å; M382-L386 WeakPolarHBondContact O-CB 3.47Å; M382-L386 WeakPolarHBondContact O-CG 3.41Å; M382-L386 PolarHBondContact O-N 3.39Å; M382-L386 HydrophobicContact SD-CD1 4.47Å; M382-L386 HydrophobicContact SD-CG 4.24Å; M382-I404 HydrophobicContact CE-CG2 3.93Å; M382-I404 HydrophobicContact SD-CB 4.24Å; M382-I404 HydrophobicContact SD-CG1 4.08Å; M382-I404 HydrophobicContact SD-CG2 3.47Å; M382-I404 WeakPolarHBondContact SD-CG2 3.41Å; M382-A407 HydrophobicContact CE-CB 4.25Å; M382-A408 HydrophobicContact CE-CB 4.28Å; M382-W417 HydrophobicContact CB-CH2 3.96Å; M382-W417 HydrophobicContact CB-CZ2 3.7Å; M382-W417 HydrophobicContact CE-CH2 4.08Å; M382-W417 HydrophobicContact CG-CH2 3.79Å; M382-W417 HydrophobicContact CG-CZ2 3.71Å; M382-T421 HydrophobicContact CE-CG2 4.21Å; M382-T421 HydrophobicContact CG-CG2 3.73Å; M382-T421 HydrophobicContact SD-CG2 3.83Å
383K93.1Very high92.2Very high139 Ų13946.8 Ų46.860%0.60427%0.269SS*.Hα-helixtrans-59.3-46.6176.8-170.7-178179-1750111.9S380 M381 L386 I387S380-K383 PolarHBondContact O-N 2.89Å; M381-K383 VanDerWaalsContact C-N 3.29Å; M381-K383 PolarHBondContact O-N 3.49Å; K383-L386 PolarHBondContact O-N 3.01Å; K383-I387 HydrophobicContact CG-CD1 4.21Å; K383-I387 WeakPolarHBondContact O-CD1 3.22Å; K383-I387 VanDerWaalsContact O-CG1 3.27Å; K383-I387 WeakPolarHBondContact O-CG1 3.41Å; K383-I387 PolarHBondContact O-N 2.88Å; K383-I387 VanDerWaalsContact O-N 3.12Å
384E93.2Very high91.9Very high61 Ų6150.7 Ų50.729%0.28529%0.294SS..Hα-helixtrans-68.4-37.9177.4-61.9-65.2134.800111.9V351 K355 S380 M381 M382 I387 F388V351-E384 HydrophobicContact CG1-CB 3.94Å; V351-E384 HydrophobicContact CG1-CG 3.92Å; K355-E384 IonicContact NZ-OE2 2.73Å; S380-E384 PolarHBondContact O-N 2.77Å; M381-E384 PolarHBondContact O-N 3.15Å; M382-E384 PolarHBondContact O-N 3.28Å; E384-I387 PolarHBondContact O-N 3.3Å; E384-F388 WeakPolarHBondContact O-CB 3.32Å; E384-F388 PolarHBondContact O-N 3.26Å
385L94.6Very high91.7Very high1 Ų156.9 Ų56.91%0.00532%0.321CS..Hα-helixtrans-65.4-36.4176.4-71.5170.1000112.8L366 L370 V373 M381 M382 F388 L389 I404L366-L385 HydrophobicContact CD1-CD2 4.04Å; L370-L385 HydrophobicContact CD2-CD1 3.9Å; L370-L385 HydrophobicContact CD2-CD2 4.37Å; V373-L385 HydrophobicContact CG2-CD1 4.18Å; M381-L385 WeakPolarHBondContact O-CG 3.42Å; M381-L385 PolarHBondContact O-N 3.39Å; M382-L385 PolarHBondContact O-N 3.29Å; L385-F388 PolarHBondContact O-N 2.9Å; L385-L389 PolarHBondContact O-N 3.42Å; L385-I404 HydrophobicContact CB-CD1 4.09Å; L385-I404 HydrophobicContact CB-CG1 4.05Å; L385-I404 HydrophobicContact CD1-CG1 4.48Å
386L93.5Very high91.7Very high24 Ų2453.3 Ų53.313%0.12629%0.291CS..Hα-helixtrans-71.4-37.6175.3-67.9166.2000112M382 K383 F388 L389 S390 I404 V425M382-L386 HydrophobicContact CG-CD1 3.8Å; M382-L386 HydrophobicContact CG-CG 4.16Å; M382-L386 WeakPolarHBondContact O-CB 3.47Å; M382-L386 WeakPolarHBondContact O-CG 3.41Å; M382-L386 PolarHBondContact O-N 3.39Å; M382-L386 HydrophobicContact SD-CD1 4.47Å; M382-L386 HydrophobicContact SD-CG 4.24Å; K383-L386 PolarHBondContact O-N 3.01Å; L386-F388 VanDerWaalsContact C-N 3.3Å; L386-F388 PolarHBondContact O-N 3.34Å; L386-L389 HydrophobicContact CD2-CD2 4.48Å; L386-L389 WeakPolarHBondContact O-CB 3.2Å; L386-L389 PolarHBondContact O-N 2.82Å; L386-S390 PolarHBondContact O-N 3.02Å; L386-I404 HydrophobicContact CD2-CD1 4.37Å; L386-I404 HydrophobicContact CD2-CG2 4.41Å; L386-V425 HydrophobicContact CD2-CG2 3.7Å
387I92.6Very high91.7Very high84 Ų8451 Ų5143%0.43127%0.267SS..Hα-helixtrans-64.4-36.7171-67.3163.9000111K383 E384 S390 S391K383-I387 HydrophobicContact CG-CD1 4.21Å; K383-I387 WeakPolarHBondContact O-CD1 3.22Å; K383-I387 VanDerWaalsContact O-CG1 3.27Å; K383-I387 WeakPolarHBondContact O-CG1 3.41Å; K383-I387 PolarHBondContact O-N 2.88Å; K383-I387 VanDerWaalsContact O-N 3.12Å; E384-I387 PolarHBondContact O-N 3.3Å; I387-S390 PolarHBondContact O-OG 3.33Å; I387-S390 VanDerWaalsContact O-OG 3.07Å; I387-S391 PolarHBondContact O-OG 3.02Å
388F92.6Very high91.7Very high9 Ų952.8 Ų52.84%0.03928%0.282CS..Hα-helixtrans-67.4-38.9172177.9-102000111.9L354 K362 L366 E384 L385 L386 S390 S391 C392 L396 A400L354-F388 HydrophobicContact CB-CD2 3.77Å; L354-F388 HydrophobicContact CB-CE2 4.15Å; L354-F388 HydrophobicContact CB-CG 4.37Å; L354-F388 HydrophobicContact CD1-CB 4.44Å; L354-F388 HydrophobicContact CD2-CD2 4.28Å; L354-F388 HydrophobicContact CD2-CE2 4.31Å; L354-F388 HydrophobicContact CD2-CG 4.38Å; L354-F388 HydrophobicContact CD2-CZ 4.47Å; L354-F388 HydrophobicContact CG-CD2 4.49Å; L354-F388 WeakPolarHBondContact O-CE2 3.45Å; K362-F388 HydrophobicContact CB-CZ 4.47Å; K362-F388 HydrophobicContact CD-CE2 4.29Å; K362-F388 HydrophobicContact CG-CE2 4.46Å; L366-F388 HydrophobicContact CB-CE1 4.31Å; L366-F388 HydrophobicContact CD1-CD1 4.04Å; L366-F388 HydrophobicContact CD1-CE1 3.9Å; L366-F388 HydrophobicContact CD2-CE1 4.11Å; L366-F388 HydrophobicContact CG-CE1 4.31Å; E384-F388 WeakPolarHBondContact O-CB 3.32Å; E384-F388 PolarHBondContact O-N 3.26Å; L385-F388 PolarHBondContact O-N 2.9Å; L386-F388 VanDerWaalsContact C-N 3.3Å; L386-F388 PolarHBondContact O-N 3.34Å; F388-S390 PolarHBondContact O-N 3.49Å; F388-S391 CarbonylContact O-C 3.57Å; F388-S391 PolarHBondContact O-N 3.48Å; F388-S391 VanDerWaalsContact O-N 3.17Å; F388-S391 PolarHBondContact O-OG 3.5Å; F388-C392 HydrophobicContact CE1-CB 4.46Å; F388-C392 WeakPolarHBondContact CE1-SG 3.42Å; F388-C392 WeakPolarHBondContact O-CA 3.44Å; F388-C392 VanDerWaalsContact O-CB 3.29Å; F388-C392 WeakPolarHBondContact O-CB 3.39Å; F388-C392 PolarHBondContact O-N 3.46Å; F388-L396 HydrophobicContact CZ-CD1 4.41Å; F388-A400 HydrophobicContact CE1-CB 4.48Å
389L92.6Very high91.5Very high0 Ų056 Ų560%030%0.297CS..Hα-helixtrans-59.6-42.5-179.9-172.867.9000112.5L385 L386 S391 C392 R397 A400 A401 I404 V425 T428 A429L385-L389 PolarHBondContact O-N 3.42Å; L386-L389 HydrophobicContact CD2-CD2 4.48Å; L386-L389 WeakPolarHBondContact O-CB 3.2Å; L386-L389 PolarHBondContact O-N 2.82Å; L389-S391 VanDerWaalsContact C-N 3.29Å; L389-S391 PolarHBondContact O-N 2.95Å; L389-C392 WeakPolarHBondContact O-CB 3.34Å; L389-C392 PolarHBondContact O-N 3.34Å; L389-R397 HydrophobicContact CD1-CG 3.83Å; L389-A400 HydrophobicContact CD1-CB 3.78Å; L389-A401 HydrophobicContact CD1-CB 4.3Å; L389-I404 HydrophobicContact CB-CD1 4.28Å; L389-I404 HydrophobicContact CD2-CD1 4.2Å; L389-V425 HydrophobicContact CD2-CB 4.3Å; L389-V425 HydrophobicContact CD2-CG1 4.11Å; L389-V425 HydrophobicContact CD2-CG2 4.1Å; L389-T428 HydrophobicContact CD2-CG2 4.26Å; L389-T428 HydrophobicContact CG-CG2 4.16Å; L389-A429 HydrophobicContact CD1-CB 4.31Å; L389-A429 HydrophobicContact CD2-CB 4.3Å
390S90.8Very high91.5Very high86 Ų8648.1 Ų48.160%0.60127%0.267SS*.Hα-helixtrans-70.6-22.5178.564.40000114L386 I387 F388L386-S390 PolarHBondContact O-N 3.02Å; I387-S390 PolarHBondContact O-OG 3.33Å; I387-S390 VanDerWaalsContact O-OG 3.07Å; F388-S390 PolarHBondContact O-N 3.49Å
391S89.8Confident91.5Very high80 Ų8045 Ų4556%0.55925%0.245SC*.THydrogen-bonded Turntrans-104.911.4175.854.90000113.3I387 F388 L389I387-S391 PolarHBondContact O-OG 3.02Å; F388-S391 CarbonylContact O-C 3.57Å; F388-S391 PolarHBondContact O-N 3.48Å; F388-S391 VanDerWaalsContact O-N 3.17Å; F388-S391 PolarHBondContact O-OG 3.5Å; L389-S391 VanDerWaalsContact C-N 3.29Å; L389-S391 PolarHBondContact O-N 2.95Å
392C89.1Confident91.4Very high5 Ų545.5 Ų45.53%0.03425%0.25CC..  trans-77.7135.5-170.7-152.90000111.8F388 L389 L396 R397F388-C392 HydrophobicContact CE1-CB 4.46Å; F388-C392 WeakPolarHBondContact CE1-SG 3.42Å; F388-C392 WeakPolarHBondContact O-CA 3.44Å; F388-C392 VanDerWaalsContact O-CB 3.29Å; F388-C392 WeakPolarHBondContact O-CB 3.39Å; F388-C392 PolarHBondContact O-N 3.46Å; L389-C392 WeakPolarHBondContact O-CB 3.34Å; L389-C392 PolarHBondContact O-N 3.34Å; C392-L396 VanDerWaalsContact SG-CB 3.59Å; C392-R397 HydrophobicContact CB-CB 4.46Å; C392-R397 HydrophobicContact CB-CG 4.44Å; C392-R397 PolarHBondContact O-NH2 3.21Å
393P88.5Confident91.2Very high41 Ų4146 Ų4627%0.26626%0.256SS..  trans-63.1147.8167.628.7-34.8000110.4E395 L396 R397P393-E395 VanDerWaalsContact C-N 3.29Å; P393-E395 PolarHBondContact O-N 3.39Å; P393-L396 HydrophobicContact CG-CB 4.18Å; P393-L396 HydrophobicContact CG-CD1 3.88Å; P393-L396 HydrophobicContact CG-CG 4.04Å; P393-L396 PolarHBondContact O-N 3.16Å; P393-R397 PolarHBondContact O-N 2.8Å
394P87.1Confident91.3Very high85 Ų8539.5 Ų39.555%0.55223%0.227SC*.Hα-helixtrans-57.4-39.3-172.522.2-33.2000112.9L396 R397P394-L396 PolarHBondContact O-N 2.88Å; P394-R397 PolarHBondContact O-N 3.29Å; P394-R397 VanDerWaalsContact O-N 3.11Å
395E88.4Confident91.1Very high148 Ų14837 Ų3769%0.69222%0.215SC*.Hα-helixtrans-53.8-27176-65.4-179.8-155.900115R363 P393R363-E395 IonicContact NH2-OE2 3.45Å; R363-E395 PolarHBondContact NH2-OE2 2.87Å; P393-E395 VanDerWaalsContact C-N 3.29Å; P393-E395 PolarHBondContact O-N 3.39Å
396L89.8Confident90.9Very high1 Ų140.8 Ų40.81%0.00524%0.236CC..Hα-helixtrans-106-12.2-177.6-61.7-176.7000112.7K362 R363 F388 C392 P393 P394 A398 Q399 A400K362-L396 HydrophobicContact CB-CD1 4.01Å; R363-L396 HydrophobicContact CB-CD1 4.32Å; R363-L396 HydrophobicContact CB-CD2 3.89Å; R363-L396 HydrophobicContact CG-CD2 3.8Å; R363-L396 VanDerWaalsContact NE-CD2 3.34Å; F388-L396 HydrophobicContact CZ-CD1 4.41Å; C392-L396 VanDerWaalsContact SG-CB 3.59Å; P393-L396 HydrophobicContact CG-CB 4.18Å; P393-L396 HydrophobicContact CG-CD1 3.88Å; P393-L396 HydrophobicContact CG-CG 4.04Å; P393-L396 PolarHBondContact O-N 3.16Å; P394-L396 PolarHBondContact O-N 2.88Å; L396-A398 PolarHBondContact O-N 3.11Å; L396-Q399 PolarHBondContact O-N 3.21Å; L396-A400 WeakPolarHBondContact O-CB 3.32Å; L396-A400 PolarHBondContact O-N 3.4Å
397R91Very high90.9Very high58 Ų5840 Ų4022%0.21923%0.233CC..Hα-helixtrans-65.1-42.1-171.3-160.1172.1-51.4112.7-1.1112L389 C392 P393 P394 A400 A401 A429 D432L389-R397 HydrophobicContact CD1-CG 3.83Å; C392-R397 HydrophobicContact CB-CB 4.46Å; C392-R397 HydrophobicContact CB-CG 4.44Å; C392-R397 PolarHBondContact O-NH2 3.21Å; P393-R397 PolarHBondContact O-N 2.8Å; P394-R397 PolarHBondContact O-N 3.29Å; P394-R397 VanDerWaalsContact O-N 3.11Å; R397-A400 PolarHBondContact O-N 3.12Å; R397-A401 VanDerWaalsContact O-CB 3.32Å; R397-A401 WeakPolarHBondContact O-CB 3.04Å; R397-A401 PolarHBondContact O-N 3.14Å; R397-A429 HydrophobicContact CG-CB 4.06Å; R397-D432 HydrophobicContact CB-CB 4.2Å; R397-D432 VanDerWaalsContact CD-OD2 3.22Å; R397-D432 WeakPolarHBondContact CD-OD2 3.45Å; R397-D432 HydrophobicContact CG-CB 4.27Å; R397-D432 IonicContact CZ-OD2 2.72Å; R397-D432 IonicContact NE-OD2 2.72Å; R397-D432 IonicContact NH1-OD2 3.14Å; R397-D432 PolarHBondContact NH1-OD2 3.39Å
398A90.8Very high90.9Very high42 Ų4236 Ų3635%0.34721%0.212SC..Hα-helixtrans-62.8-43.6174.300000112.9L396 S402 D432L396-A398 PolarHBondContact O-N 3.11Å; A398-S402 WeakPolarHBondContact O-CB 3.31Å; A398-S402 PolarHBondContact O-N 3.31Å; A398-D432 VanDerWaalsContact CA-O 3.24Å; A398-D432 WeakPolarHBondContact CA-O 3.34Å; A398-D432 HydrophobicContact CB-CB 4.39Å; A398-D432 WeakPolarHBondContact CB-O 3.34Å
399Q91.3Very high90.7Very high69 Ų6939.1 Ų39.132%0.32223%0.227SC..Hα-helixtrans-64.6-42.1176.8-170.7-178.69.900111.2L366 E367 L396 G403L366-Q399 HydrophobicContact CD2-CG 4.41Å; E367-Q399 VanDerWaalsContact CG-NE2 3.34Å; E367-Q399 PolarHBondContact OE1-NE2 3.33Å; L396-Q399 PolarHBondContact O-N 3.21Å; Q399-G403 PolarHBondContact O-N 3.01Å
400A92.8Very high90.6Very high0 Ų048.3 Ų48.30%026%0.262CS..Hα-helixtrans-65.3-49.6177.300000111.6L366 F388 L389 L396 R397 S402 G403 I404L366-A400 HydrophobicContact CD1-CB 4.02Å; L366-A400 HydrophobicContact CD2-CB 3.86Å; F388-A400 HydrophobicContact CE1-CB 4.48Å; L389-A400 HydrophobicContact CD1-CB 3.78Å; L396-A400 WeakPolarHBondContact O-CB 3.32Å; L396-A400 PolarHBondContact O-N 3.4Å; R397-A400 PolarHBondContact O-N 3.12Å; A400-S402 PolarHBondContact O-N 2.99Å; A400-G403 PolarHBondContact O-N 3.46Å; A400-I404 WeakPolarHBondContact O-CB 3.29Å; A400-I404 WeakPolarHBondContact O-CD1 3.48Å; A400-I404 VanDerWaalsContact O-CG1 3.23Å; A400-I404 WeakPolarHBondContact O-CG1 3.37Å; A400-I404 PolarHBondContact O-N 3.46Å
401A92.4Very high90.8Very high1 Ų147.5 Ų47.51%0.00825%0.246CC..Hα-helixtrans-59.8-47.6178.600000112L389 R397 G403 I404 F405 V425 A429 V433L389-A401 HydrophobicContact CD1-CB 4.3Å; R397-A401 VanDerWaalsContact O-CB 3.32Å; R397-A401 WeakPolarHBondContact O-CB 3.04Å; R397-A401 PolarHBondContact O-N 3.14Å; A401-G403 PolarHBondContact O-N 3.41Å; A401-I404 PolarHBondContact O-N 3.14Å; A401-F405 WeakPolarHBondContact O-CB 3.37Å; A401-F405 PolarHBondContact O-N 3.34Å; A401-V425 HydrophobicContact CB-CG1 3.79Å; A401-A429 HydrophobicContact CB-CB 4.03Å; A401-V433 HydrophobicContact CB-CG2 4.18Å
402S91.4Very high90.9Very high19 Ų1945.2 Ų45.213%0.13323%0.232CC..Hα-helixtrans-67.3-35.5177.6-168.10000112.7A398 A400 N406 R434A398-S402 WeakPolarHBondContact O-CB 3.31Å; A398-S402 PolarHBondContact O-N 3.31Å; A400-S402 PolarHBondContact O-N 2.99Å; S402-N406 PolarHBondContact O-N 3.32Å; S402-N406 VanDerWaalsContact O-N 3.1Å; S402-N406 PolarHBondContact O-OD1 3.11Å; S402-R434 PolarHBondContact OG-NE 3.18Å; S402-R434 PolarHBondContact OG-NH2 3.36Å
403G90.9Very high91.1Very high14 Ų1447.6 Ų47.614%0.14425%0.247CC..Hα-helixtrans-66.4-44.3175.400000112.4L370 Q399 A400 A401 N406 A407L370-G403 VanDerWaalsContact CD2-C 3.47Å; Q399-G403 PolarHBondContact O-N 3.01Å; A400-G403 PolarHBondContact O-N 3.46Å; A401-G403 PolarHBondContact O-N 3.41Å; G403-N406 PolarHBondContact O-N 3.38Å; G403-A407 WeakPolarHBondContact O-CB 3.42Å; G403-A407 PolarHBondContact O-N 3.43Å
404I93.3Very high91.3Very high1 Ų148.2 Ų48.21%0.00525%0.253CS..Hα-helixtrans-60-45.7174.5-75.1163.5000110.7L370 M382 L385 L386 L389 A400 A401 A407 A408 T421 V425L370-I404 HydrophobicContact CD2-CG1 4.5Å; M382-I404 HydrophobicContact CE-CG2 3.93Å; M382-I404 HydrophobicContact SD-CB 4.24Å; M382-I404 HydrophobicContact SD-CG1 4.08Å; M382-I404 HydrophobicContact SD-CG2 3.47Å; M382-I404 WeakPolarHBondContact SD-CG2 3.41Å; L385-I404 HydrophobicContact CB-CD1 4.09Å; L385-I404 HydrophobicContact CB-CG1 4.05Å; L385-I404 HydrophobicContact CD1-CG1 4.48Å; L386-I404 HydrophobicContact CD2-CD1 4.37Å; L386-I404 HydrophobicContact CD2-CG2 4.41Å; L389-I404 HydrophobicContact CB-CD1 4.28Å; L389-I404 HydrophobicContact CD2-CD1 4.2Å; A400-I404 WeakPolarHBondContact O-CB 3.29Å; A400-I404 WeakPolarHBondContact O-CD1 3.48Å; A400-I404 VanDerWaalsContact O-CG1 3.23Å; A400-I404 WeakPolarHBondContact O-CG1 3.37Å; A400-I404 PolarHBondContact O-N 3.46Å; A401-I404 PolarHBondContact O-N 3.14Å; I404-A407 PolarHBondContact O-N 3.15Å; I404-A408 WeakPolarHBondContact O-CB 3.49Å; I404-A408 PolarHBondContact O-N 3.3Å; I404-T421 HydrophobicContact CG2-CG2 4.24Å; I404-V425 HydrophobicContact CB-CG2 4.34Å; I404-V425 HydrophobicContact CG2-CG2 3.4Å; I404-V425 VanDerWaalsContact CG2-CG2 3.4Å
405F90.3Very high91.5Very high8 Ų849.2 Ų49.24%0.03525%0.249CC..Hα-helixtrans-56.8-53.4177.2-174.3-86.7000111.3A401 A407 A408 E409 I422 T437 N440A401-F405 WeakPolarHBondContact O-CB 3.37Å; A401-F405 PolarHBondContact O-N 3.34Å; F405-A407 VanDerWaalsContact C-N 3.3Å; F405-A407 PolarHBondContact O-N 3.49Å; F405-A408 PolarHBondContact O-N 3.09Å; F405-E409 PolarHBondContact O-N 3.29Å; F405-I422 HydrophobicContact CD2-CD1 4.03Å; F405-I422 HydrophobicContact CD2-CG1 3.9Å; F405-I422 HydrophobicContact CD2-CG2 4.02Å; F405-I422 HydrophobicContact CE2-CD1 3.55Å; F405-I422 HydrophobicContact CE2-CG1 3.93Å; F405-I422 HydrophobicContact CE2-CG2 3.98Å; F405-I422 HydrophobicContact CZ-CD1 4.32Å; F405-T437 HydrophobicContact CD2-CG2 3.65Å; F405-T437 HydrophobicContact CE2-CG2 3.65Å; F405-N440 HydrophobicContact CE1-CB 4.09Å; F405-N440 HydrophobicContact CZ-CB 3.61Å
406N90.8Very high91.6Very high81 Ų8145.5 Ų45.543%0.43323%0.228SC..Hα-helixtrans-61-37.5179.6-66.1-5.1000112.4S402 G403 R410S402-N406 PolarHBondContact O-N 3.32Å; S402-N406 VanDerWaalsContact O-N 3.1Å; S402-N406 PolarHBondContact O-OD1 3.11Å; G403-N406 PolarHBondContact O-N 3.38Å; N406-R410 WeakPolarHBondContact O-CB 3.43Å; N406-R410 PolarHBondContact O-N 2.64Å; N406-R410 VanDerWaalsContact O-N 3.17Å
407A92.6Very high91.8Very high8 Ų847.8 Ų47.87%0.06624%0.237CC..Hα-helixtrans-70.2-39.4177.700000112.5V373 M382 G403 I404 F405 Y411V373-A407 HydrophobicContact CB-CB 4.4Å; V373-A407 HydrophobicContact CG1-CB 4.22Å; V373-A407 HydrophobicContact CG2-CB 4.4Å; M382-A407 HydrophobicContact CE-CB 4.25Å; G403-A407 WeakPolarHBondContact O-CB 3.42Å; G403-A407 PolarHBondContact O-N 3.43Å; I404-A407 PolarHBondContact O-N 3.15Å; F405-A407 VanDerWaalsContact C-N 3.3Å; F405-A407 PolarHBondContact O-N 3.49Å; A407-Y411 PolarHBondContact O-N 3.25Å; A407-Y411 VanDerWaalsContact O-N 3.11Å
408A92.6Very high91.8Very high0 Ų045.6 Ų45.60%023%0.229CC..Hα-helixtrans-64.9-44.417300000110.9M382 I404 F405 R410 Y411 A412 W417 T421M382-A408 HydrophobicContact CE-CB 4.28Å; I404-A408 WeakPolarHBondContact O-CB 3.49Å; I404-A408 PolarHBondContact O-N 3.3Å; F405-A408 PolarHBondContact O-N 3.09Å; A408-R410 VanDerWaalsContact C-N 3.29Å; A408-R410 PolarHBondContact O-N 2.92Å; A408-Y411 PolarHBondContact O-N 3.23Å; A408-A412 WeakPolarHBondContact O-CA 3.27Å; A408-A412 WeakPolarHBondContact O-CB 3.37Å; A408-A412 PolarHBondContact O-N 3.3Å; A408-W417 HydrophobicContact CB-CZ3 4.21Å; A408-T421 HydrophobicContact CB-CG2 4.27Å
409E89.4Confident91.9Very high74 Ų7443.7 Ų43.735%0.34621%0.213SC..Hα-helixtrans-60.2-39.3-179.9-161.3-167.9153.500112.8F405 H418 K589F405-E409 PolarHBondContact O-N 3.29Å; E409-H418 VanDerWaalsContact CA-CE1 3.5Å; E409-H418 WeakPolarHBondContact CA-CE1 3.44Å; E409-H418 WeakPolarHBondContact CA-NE2 3.43Å; E409-K589 WeakPolarHBondContact OE1-CE 3.43Å; E409-K589 IonicContact OE1-NZ 3.02Å; E409-K589 PolarHBondContact OE1-NZ 2.76Å
410R90.5Very high91.9Very high193 Ų19342.3 Ų42.373%0.72821%0.208SC*.Hα-helixtrans-83.3-29.9-176.1-160.6175.1-167.8-165.710114.3N406 A408N406-R410 WeakPolarHBondContact O-CB 3.43Å; N406-R410 PolarHBondContact O-N 2.64Å; N406-R410 VanDerWaalsContact O-N 3.17Å; A408-R410 VanDerWaalsContact C-N 3.29Å; A408-R410 PolarHBondContact O-N 2.92Å
411Y94.3Very high91.8Very high69 Ų6942.6 Ų42.627%0.27121%0.21SC..Hα-helixtrans-130.311.4-168.9-56.4-61.4000115.2V373 A375 A407 A408 P413V373-Y411 HydrophobicContact CG1-CD2 3.94Å; V373-Y411 WeakPolarHBondContact O-CE2 3.22Å; A375-Y411 HydrophobicContact CB-CD1 4.27Å; A407-Y411 PolarHBondContact O-N 3.25Å; A407-Y411 VanDerWaalsContact O-N 3.11Å; A408-Y411 PolarHBondContact O-N 3.23Å; Y411-P413 WeakPolarHBondContact O-CD 3.36Å
412A92.5Very high91.8Very high33 Ų3342.8 Ų42.827%0.27321%0.21SC..  trans-56.1124.7177.600000112.6A408 W417 H418A408-A412 WeakPolarHBondContact O-CA 3.27Å; A408-A412 WeakPolarHBondContact O-CB 3.37Å; A408-A412 PolarHBondContact O-N 3.3Å; A412-W417 HydrophobicContact CB-CE3 3.99Å; A412-W417 HydrophobicContact CB-CZ3 4.14Å; A412-H418 HydrophobicContact CB-CB 3.67Å
413P92.8Very high91.7Very high54 Ų5442.4 Ų42.435%0.35121%0.207SC..SBendtrans-79-17.1179.732.3-36.1000113.7R379 Y411 W417R379-P413 HydrophobicContact CG-CG 4.24Å; Y411-P413 WeakPolarHBondContact O-CD 3.36Å; P413-W417 VanDerWaalsContact CD-CE3 3.5Å; P413-W417 HydrophobicContact CG-CD2 4.18Å; P413-W417 HydrophobicContact CG-CE3 4.35Å; P413-W417 HydrophobicContact CG-CG 4.27Å
414S92.6Very high91.7Very high55 Ų5545.8 Ų45.839%0.38522%0.219SC..SBendtrans-153.5155.7170.6710000110.6R416 W417 H418S414-R416 VanDerWaalsContact C-N 3.35Å; S414-R416 PolarHBondContact O-N 2.84Å; S414-W417 PolarHBondContact O-N 3.31Å; S414-W417 WeakPolarHBondContact OG-CB 3.33Å; S414-W417 PolarHBondContact OG-N 3.11Å; S414-H418 PolarHBondContact O-N 3.4Å; S414-H418 VanDerWaalsContact O-N 3.07Å
415K90.6Very high91.6Very high106 Ų10646 Ų4646%0.46122%0.22SC..Hα-helixtrans-63.6-39.4178.9-61-65.6-174.3172.90112.1H418 I419 L444 T448 L451K415-H418 VanDerWaalsContact O-CB 3.3Å; K415-H418 WeakPolarHBondContact O-CB 3.46Å; K415-H418 PolarHBondContact O-N 3.22Å; K415-I419 WeakPolarHBondContact O-CG1 3.36Å; K415-I419 PolarHBondContact O-N 3.32Å; K415-L444 HydrophobicContact CD-CD1 4.15Å; K415-T448 HydrophobicContact CB-CG2 3.69Å; K415-T448 HydrophobicContact CG-CG2 4.11Å; K415-L451 HydrophobicContact CB-CD1 4.21Å
416R91.3Very high91.5Very high70 Ų7045.7 Ų45.726%0.26422%0.219SC..Hα-helixtrans-57.9-50.4173.7-176.6174.3168.4136.5-5112.2S414 H418 I419 D420 L451 Y454 E494S414-R416 VanDerWaalsContact C-N 3.35Å; S414-R416 PolarHBondContact O-N 2.84Å; R416-H418 PolarHBondContact O-N 3.38Å; R416-I419 PolarHBondContact O-N 2.86Å; R416-D420 IonicContact NE-OD2 3.59Å; R416-D420 WeakPolarHBondContact O-CB 3.23Å; R416-D420 PolarHBondContact O-N 2.86Å; R416-L451 VanDerWaalsContact CA-CD1 3.43Å; R416-L451 HydrophobicContact CB-CD1 3.61Å; R416-L451 HydrophobicContact CG-CD1 4.39Å; R416-L451 VanDerWaalsContact N-CD1 3.35Å; R416-Y454 HydrophobicContact CG-CE1 4.01Å; R416-Y454 PolarHBondContact NH2-OH 3.13Å; R416-E494 IonicContact CZ-OE2 3.59Å; R416-E494 IonicContact NH1-OE1 3.22Å; R416-E494 IonicContact NH1-OE2 3.55Å; R416-E494 PolarHBondContact NH1-OE2 3.31Å
417W93.5Very high91.5Very high49 Ų4944.3 Ų44.319%0.18621%0.213CC..Hα-helixtrans-61.3-34.8178.2-178.890.1000112.2I378 M382 A408 A412 P413 S414 T421I378-W417 HydrophobicContact CD1-CH2 3.76Å; I378-W417 HydrophobicContact CD1-CZ3 4.36Å; I378-W417 HydrophobicContact CG1-CH2 3.48Å; I378-W417 VanDerWaalsContact CG1-CH2 3.48Å; I378-W417 HydrophobicContact CG1-CZ2 4.14Å; I378-W417 HydrophobicContact CG1-CZ3 3.98Å; M382-W417 HydrophobicContact CB-CH2 3.96Å; M382-W417 HydrophobicContact CB-CZ2 3.7Å; M382-W417 HydrophobicContact CE-CH2 4.08Å; M382-W417 HydrophobicContact CG-CH2 3.79Å; M382-W417 HydrophobicContact CG-CZ2 3.71Å; A408-W417 HydrophobicContact CB-CZ3 4.21Å; A412-W417 HydrophobicContact CB-CE3 3.99Å; A412-W417 HydrophobicContact CB-CZ3 4.14Å; P413-W417 VanDerWaalsContact CD-CE3 3.5Å; P413-W417 HydrophobicContact CG-CD2 4.18Å; P413-W417 HydrophobicContact CG-CE3 4.35Å; P413-W417 HydrophobicContact CG-CG 4.27Å; S414-W417 PolarHBondContact O-N 3.31Å; S414-W417 WeakPolarHBondContact OG-CB 3.33Å; S414-W417 PolarHBondContact OG-N 3.11Å; W417-T421 HydrophobicContact CH2-CG2 4.32Å; W417-T421 WeakPolarHBondContact O-CB 3.43Å; W417-T421 PolarHBondContact O-N 3.48Å; W417-T421 PolarHBondContact O-OG1 3.46Å
418H92.1Very high91.3Very high11 Ų1146 Ų465%0.05122%0.223CC..Hα-helixtrans-63.9-51.6176.4-163.8177.6000111.4E409 A412 S414 K415 R416 D420 T421 I422 L444E409-H418 VanDerWaalsContact CA-CE1 3.5Å; E409-H418 WeakPolarHBondContact CA-CE1 3.44Å; E409-H418 WeakPolarHBondContact CA-NE2 3.43Å; A412-H418 HydrophobicContact CB-CB 3.67Å; S414-H418 PolarHBondContact O-N 3.4Å; S414-H418 VanDerWaalsContact O-N 3.07Å; K415-H418 VanDerWaalsContact O-CB 3.3Å; K415-H418 WeakPolarHBondContact O-CB 3.46Å; K415-H418 PolarHBondContact O-N 3.22Å; R416-H418 PolarHBondContact O-N 3.38Å; H418-D420 VanDerWaalsContact C-N 3.34Å; H418-D420 PolarHBondContact O-N 2.92Å; H418-T421 PolarHBondContact O-N 2.79Å; H418-I422 WeakPolarHBondContact CD2-CD1 3.29Å; H418-I422 WeakPolarHBondContact NE2-CD1 3.04Å; H418-I422 WeakPolarHBondContact O-CG1 3.29Å; H418-I422 PolarHBondContact O-N 3.2Å; H418-L444 HydrophobicContact CB-CD2 4.26Å; H418-L444 WeakPolarHBondContact ND1-CD2 3.39Å
419I91.3Very high90.8Very high3 Ų346.3 Ų46.32%0.01523%0.226CC..Hα-helixtrans-60.2-44.6176.9-66.3170.5000110.3K415 R416 T421 I422 L423 L444 I445 L451 T455K415-I419 WeakPolarHBondContact O-CG1 3.36Å; K415-I419 PolarHBondContact O-N 3.32Å; R416-I419 PolarHBondContact O-N 2.86Å; I419-T421 VanDerWaalsContact C-N 3.32Å; I419-T421 PolarHBondContact O-N 3.22Å; I419-I422 PolarHBondContact O-N 2.82Å; I419-L423 VanDerWaalsContact O-CB 3.3Å; I419-L423 WeakPolarHBondContact O-CB 3.41Å; I419-L423 PolarHBondContact O-N 3.35Å; I419-L444 HydrophobicContact CG1-CD2 4.07Å; I419-L444 HydrophobicContact CG1-CG 4.41Å; I419-I445 HydrophobicContact CD1-CG1 4.49Å; I419-L451 HydrophobicContact CD1-CB 4.34Å; I419-L451 HydrophobicContact CD1-CD1 4.08Å; I419-T455 HydrophobicContact CG2-CG2 3.77Å
420D91.4Very high90.4Very high39 Ų3942.9 Ų42.921%0.20921%0.21CC..Hα-helixtrans-59.9-40.7177.9-73-18000112.9R416 H418 H424 Y454 K458R416-D420 IonicContact NE-OD2 3.59Å; R416-D420 WeakPolarHBondContact O-CB 3.23Å; R416-D420 PolarHBondContact O-N 2.86Å; H418-D420 VanDerWaalsContact C-N 3.34Å; H418-D420 PolarHBondContact O-N 2.92Å; D420-H424 WeakPolarHBondContact O-CB 3.07Å; D420-H424 PolarHBondContact O-N 2.84Å; D420-H424 VanDerWaalsContact O-N 3.07Å; D420-Y454 WeakPolarHBondContact OD1-CE1 3.29Å; D420-Y454 PolarHBondContact OD1-OH 3.11Å; D420-Y454 PolarHBondContact OD2-OH 3.38Å; D420-K458 VanDerWaalsContact CG-NZ 3.28Å; D420-K458 IonicContact OD1-NZ 2.74Å; D420-K458 PolarHBondContact OD1-NZ 2.99Å; D420-K458 IonicContact OD2-NZ 3.29Å
421T92.2Very high89.9Confident7 Ų737 Ų374%0.04321%0.209CC..Hα-helixtrans-68.7-48.1179-58.90000111M382 I404 A408 W417 H418 I419 L423 H424 V425M382-T421 HydrophobicContact CE-CG2 4.21Å; M382-T421 HydrophobicContact CG-CG2 3.73Å; M382-T421 HydrophobicContact SD-CG2 3.83Å; I404-T421 HydrophobicContact CG2-CG2 4.24Å; A408-T421 HydrophobicContact CB-CG2 4.27Å; W417-T421 HydrophobicContact CH2-CG2 4.32Å; W417-T421 WeakPolarHBondContact O-CB 3.43Å; W417-T421 PolarHBondContact O-N 3.48Å; W417-T421 PolarHBondContact O-OG1 3.46Å; H418-T421 PolarHBondContact O-N 2.79Å; I419-T421 VanDerWaalsContact C-N 3.32Å; I419-T421 PolarHBondContact O-N 3.22Å; T421-L423 PolarHBondContact O-N 3.49Å; T421-H424 PolarHBondContact O-N 3.09Å; T421-V425 WeakPolarHBondContact O-CG2 3.31Å; T421-V425 PolarHBondContact O-N 2.88Å
422I91.4Very high89.4Confident4 Ų436.3 Ų36.32%0.02121%0.21CC..Hα-helixtrans-65.3-41.5179.4-60.1164.8000110.5F405 H418 I419 H424 V425 L426 T437 L441 L444F405-I422 HydrophobicContact CD2-CD1 4.03Å; F405-I422 HydrophobicContact CD2-CG1 3.9Å; F405-I422 HydrophobicContact CD2-CG2 4.02Å; F405-I422 HydrophobicContact CE2-CD1 3.55Å; F405-I422 HydrophobicContact CE2-CG1 3.93Å; F405-I422 HydrophobicContact CE2-CG2 3.98Å; F405-I422 HydrophobicContact CZ-CD1 4.32Å; H418-I422 WeakPolarHBondContact CD2-CD1 3.29Å; H418-I422 WeakPolarHBondContact NE2-CD1 3.04Å; H418-I422 WeakPolarHBondContact O-CG1 3.29Å; H418-I422 PolarHBondContact O-N 3.2Å; I419-I422 PolarHBondContact O-N 2.82Å; I422-H424 VanDerWaalsContact C-N 3.31Å; I422-H424 PolarHBondContact O-N 3.26Å; I422-V425 WeakPolarHBondContact O-CB 3.38Å; I422-V425 PolarHBondContact O-N 3.42Å; I422-L426 HydrophobicContact CG2-CD1 4.19Å; I422-L426 HydrophobicContact CG2-CG 4.31Å; I422-L426 WeakPolarHBondContact O-CG 3.46Å; I422-L426 PolarHBondContact O-N 3.41Å; I422-T437 HydrophobicContact CG2-CG2 4.32Å; I422-L441 HydrophobicContact CB-CD1 4.28Å; I422-L441 HydrophobicContact CD1-CD1 3.99Å; I422-L441 HydrophobicContact CG2-CB 4.46Å; I422-L441 HydrophobicContact CG2-CD1 4.14Å; I422-L441 HydrophobicContact CG2-CD2 3.8Å; I422-L441 HydrophobicContact CG2-CG 4.36Å; I422-L444 HydrophobicContact CD1-CD2 3.79Å
423L89.2Confident89.2Confident12 Ų1235.3 Ų35.36%0.06320%0.201CC..Hα-helixtrans-61.6-40.9177.7-173.666.4000111.5I419 T421 L426 T427 K458 L459 L472I419-L423 VanDerWaalsContact O-CB 3.3Å; I419-L423 WeakPolarHBondContact O-CB 3.41Å; I419-L423 PolarHBondContact O-N 3.35Å; T421-L423 PolarHBondContact O-N 3.49Å; L423-L426 PolarHBondContact O-N 3.35Å; L423-T427 WeakPolarHBondContact O-CG2 3.43Å; L423-T427 PolarHBondContact O-N 3.27Å; L423-T427 PolarHBondContact O-OG1 3.01Å; L423-K458 HydrophobicContact CD2-CB 4.01Å; L423-K458 HydrophobicContact CD2-CD 3.53Å; L423-K458 HydrophobicContact CD2-CG 3.5Å; L423-L459 HydrophobicContact CD1-CD2 3.56Å; L423-L459 HydrophobicContact CD1-CG 4.33Å; L423-L472 HydrophobicContact CD1-CD1 3.5Å; L423-L472 VanDerWaalsContact CD1-CD1 3.5Å
424H90.3Very high88.7Confident85 Ų8537.6 Ų37.639%0.39420%0.202SC..Hα-helixtrans-65.5-39.5176-173.146.9000112.3D420 T421 I422 T427 T428D420-H424 WeakPolarHBondContact O-CB 3.07Å; D420-H424 PolarHBondContact O-N 2.84Å; D420-H424 VanDerWaalsContact O-N 3.07Å; T421-H424 PolarHBondContact O-N 3.09Å; I422-H424 VanDerWaalsContact C-N 3.31Å; I422-H424 PolarHBondContact O-N 3.26Å; H424-T427 WeakPolarHBondContact CA-OG1 3.35Å; H424-T427 PolarHBondContact O-N 3.25Å; H424-T427 PolarHBondContact O-OG1 3.04Å; H424-T428 WeakPolarHBondContact O-CB 3.39Å; H424-T428 PolarHBondContact O-N 3.08Å; H424-T428 VanDerWaalsContact O-N 3.1Å; H424-T428 PolarHBondContact O-OG1 3.3Å
425V91.6Very high88.1Confident6 Ų640.9 Ų40.94%0.03622%0.215CC..Hα-helixtrans-60.2-47.4172172.50000111L386 L389 A401 I404 T421 I422 T428 A429 V433L386-V425 HydrophobicContact CD2-CG2 3.7Å; L389-V425 HydrophobicContact CD2-CB 4.3Å; L389-V425 HydrophobicContact CD2-CG1 4.11Å; L389-V425 HydrophobicContact CD2-CG2 4.1Å; A401-V425 HydrophobicContact CB-CG1 3.79Å; I404-V425 HydrophobicContact CB-CG2 4.34Å; I404-V425 HydrophobicContact CG2-CG2 3.4Å; I404-V425 VanDerWaalsContact CG2-CG2 3.4Å; T421-V425 WeakPolarHBondContact O-CG2 3.31Å; T421-V425 PolarHBondContact O-N 2.88Å; I422-V425 WeakPolarHBondContact O-CB 3.38Å; I422-V425 PolarHBondContact O-N 3.42Å; V425-T428 PolarHBondContact O-N 2.88Å; V425-A429 WeakPolarHBondContact O-CB 3.25Å; V425-A429 PolarHBondContact O-N 3.31Å; V425-V433 HydrophobicContact CG1-CG2 4.44Å
426L89.5Confident87.7Confident1 Ų140.5 Ų40.51%0.00522%0.216CC..Hα-helixtrans-55.3-56.2176.3-75.5172.9000109.9I422 L423 T428 A429 G430 V433 T437 L441 Q469 P471 L472I422-L426 HydrophobicContact CG2-CD1 4.19Å; I422-L426 HydrophobicContact CG2-CG 4.31Å; I422-L426 WeakPolarHBondContact O-CG 3.46Å; I422-L426 PolarHBondContact O-N 3.41Å; L423-L426 PolarHBondContact O-N 3.35Å; L426-T428 PolarHBondContact O-N 2.94Å; L426-T428 VanDerWaalsContact O-N 3.07Å; L426-A429 PolarHBondContact O-N 3.02Å; L426-G430 VanDerWaalsContact O-CA 3.31Å; L426-G430 WeakPolarHBondContact O-CA 3.02Å; L426-G430 PolarHBondContact O-N 3.31Å; L426-V433 HydrophobicContact CD2-CG1 4.24Å; L426-V433 HydrophobicContact CD2-CG2 4.43Å; L426-T437 HydrophobicContact CD2-CG2 4.37Å; L426-L441 HydrophobicContact CD1-CD2 3.47Å; L426-L441 VanDerWaalsContact CD1-CD2 3.47Å; L426-Q469 PolarHBondContact O-OE1 3.13Å; L426-P471 HydrophobicContact CD2-CB 3.86Å; L426-L472 HydrophobicContact CB-CB 4.31Å; L426-L472 HydrophobicContact CB-CD1 4.13Å; L426-L472 HydrophobicContact CD1-CD1 4.48Å
427T89.1Confident87.4Confident51 Ų5137.3 Ų37.331%0.31320%0.204SC..Hα-helixtrans-59.9-19.6179.555.80000115.6L423 H424 A462 Q469 L472L423-T427 WeakPolarHBondContact O-CG2 3.43Å; L423-T427 PolarHBondContact O-N 3.27Å; L423-T427 PolarHBondContact O-OG1 3.01Å; H424-T427 WeakPolarHBondContact CA-OG1 3.35Å; H424-T427 PolarHBondContact O-N 3.25Å; H424-T427 PolarHBondContact O-OG1 3.04Å; T427-A462 HydrophobicContact CG2-CB 4.25Å; T427-Q469 VanDerWaalsContact C-OE1 3.23Å; T427-Q469 PolarHBondContact O-NE2 3.23Å; T427-Q469 PolarHBondContact O-OE1 3.37Å; T427-L472 HydrophobicContact CG2-CD1 4.4Å; T427-L472 HydrophobicContact CG2-CD2 3.89Å
428T88.3Confident87.1Confident43 Ų4335.3 Ų35.326%0.26420%0.197SC..Hα-helixtrans-102.1-36.8-175.3-520000112.9L389 H424 V425 L426L389-T428 HydrophobicContact CD2-CG2 4.26Å; L389-T428 HydrophobicContact CG-CG2 4.16Å; H424-T428 WeakPolarHBondContact O-CB 3.39Å; H424-T428 PolarHBondContact O-N 3.08Å; H424-T428 VanDerWaalsContact O-N 3.1Å; H424-T428 PolarHBondContact O-OG1 3.3Å; V425-T428 PolarHBondContact O-N 2.88Å; L426-T428 PolarHBondContact O-N 2.94Å; L426-T428 VanDerWaalsContact O-N 3.07Å
429A84.1Confident87Confident8 Ų838.1 Ų38.17%0.06622%0.216CC..Hα-helixtrans-106.4-23.3-175.500000113.3L389 R397 A401 V425 L426 G431 D432 V433L389-A429 HydrophobicContact CD1-CB 4.31Å; L389-A429 HydrophobicContact CD2-CB 4.3Å; R397-A429 HydrophobicContact CG-CB 4.06Å; A401-A429 HydrophobicContact CB-CB 4.03Å; V425-A429 WeakPolarHBondContact O-CB 3.25Å; V425-A429 PolarHBondContact O-N 3.31Å; L426-A429 PolarHBondContact O-N 3.02Å; A429-G431 PolarHBondContact O-N 2.87Å; A429-D432 PolarHBondContact O-N 3.01Å; A429-V433 HydrophobicContact CB-CG2 3.79Å
430G81Confident86.8Confident2 Ų240.7 Ų40.72%0.02123%0.23CC..G310 helixtrans46-109171.300000114.2L426 D432 V433L426-G430 VanDerWaalsContact O-CA 3.31Å; L426-G430 WeakPolarHBondContact O-CA 3.02Å; L426-G430 PolarHBondContact O-N 3.31Å; G430-D432 VanDerWaalsContact C-N 3.27Å; G430-D432 PolarHBondContact O-N 3.02Å; G430-V433 WeakPolarHBondContact O-CB 3.42Å; G430-V433 WeakPolarHBondContact O-CG2 3.47Å; G430-V433 PolarHBondContact O-N 3.17Å
431G80Confident86.6Confident68 Ų6839 Ų3970%0.70122%0.221SC*.G310 helixtrans-69.4-11.2-178.500000116.2A429 V433A429-G431 PolarHBondContact O-N 2.87Å; G431-V433 VanDerWaalsContact C-N 3.29Å
432D83.8Confident86.6Confident56 Ų5639.2 Ų39.230%0.29922%0.222SC..G310 helixtrans-84.4-3.1173.3-66.7-42.9000112.8R397 A398 A429 G430R397-D432 HydrophobicContact CB-CB 4.2Å; R397-D432 VanDerWaalsContact CD-OD2 3.22Å; R397-D432 WeakPolarHBondContact CD-OD2 3.45Å; R397-D432 HydrophobicContact CG-CB 4.27Å; R397-D432 IonicContact CZ-OD2 2.72Å; R397-D432 IonicContact NE-OD2 2.72Å; R397-D432 IonicContact NH1-OD2 3.14Å; R397-D432 PolarHBondContact NH1-OD2 3.39Å; A398-D432 VanDerWaalsContact CA-O 3.24Å; A398-D432 WeakPolarHBondContact CA-O 3.34Å; A398-D432 HydrophobicContact CB-CB 4.39Å; A398-D432 WeakPolarHBondContact CB-O 3.34Å; A429-D432 PolarHBondContact O-N 3.01Å; G430-D432 VanDerWaalsContact C-N 3.27Å; G430-D432 PolarHBondContact O-N 3.02Å
433V86.6Confident86.5Confident11 Ų1140.4 Ų40.47%0.06723%0.227CC..SBendtrans-83139.5178.7-176.40000110.1A401 V425 L426 A429 G430 G431 T437A401-V433 HydrophobicContact CB-CG2 4.18Å; V425-V433 HydrophobicContact CG1-CG2 4.44Å; L426-V433 HydrophobicContact CD2-CG1 4.24Å; L426-V433 HydrophobicContact CD2-CG2 4.43Å; A429-V433 HydrophobicContact CB-CG2 3.79Å; G430-V433 WeakPolarHBondContact O-CB 3.42Å; G430-V433 WeakPolarHBondContact O-CG2 3.47Å; G430-V433 PolarHBondContact O-N 3.17Å; G431-V433 VanDerWaalsContact C-N 3.29Å; V433-T437 HydrophobicContact CG1-CG2 3.65Å
434R82.8Confident86.5Confident102 Ų10240.8 Ų40.839%0.38523%0.229SC..  trans-68.9140.1178-57.2-168.9-63.3121.812110.7S402 E436 T437S402-R434 PolarHBondContact OG-NE 3.18Å; S402-R434 PolarHBondContact OG-NH2 3.36Å; R434-E436 IonicContact CZ-OE2 2.69Å; R434-E436 VanDerWaalsContact CZ-OE2 3.26Å; R434-E436 VanDerWaalsContact NH1-CD 3.31Å; R434-E436 IonicContact NH1-OE1 3.4Å; R434-E436 IonicContact NH1-OE2 3.62Å; R434-E436 PolarHBondContact NH1-OE2 3.41Å; R434-E436 IonicContact NH2-OE2 2.74Å; R434-E436 PolarHBondContact NH2-OE2 3.24Å; R434-E436 VanDerWaalsContact NH2-OE2 3.15Å; R434-E436 PolarHBondContact O-N 3.49Å; R434-E436 VanDerWaalsContact O-N 3.08Å; R434-T437 VanDerWaalsContact O-CB 3.29Å; R434-T437 WeakPolarHBondContact O-CB 3.47Å; R434-T437 PolarHBondContact O-N 2.89Å; R434-T437 PolarHBondContact O-OG1 3.45Å
435D80.8Confident86.5Confident124 Ų12436.8 Ų36.866%0.66321%0.21SC*.THydrogen-bonded Turntrans-55.9-31-178.6-64.2-34.1000113.5T437 V438 P439D435-T437 PolarHBondContact O-N 3.14Å; D435-T437 VanDerWaalsContact O-N 3.11Å; D435-V438 WeakPolarHBondContact O-CB 3.08Å; D435-V438 PolarHBondContact O-N 2.94Å; D435-P439 WeakPolarHBondContact O-CD 3.48Å
436E82.6Confident86.5Confident99 Ų9937 Ų3746%0.46321%0.212SC..THydrogen-bonded Turntrans-55.3-24.6173.3-66.5178.2-17700114.3R434 V438 P439 N440R434-E436 IonicContact CZ-OE2 2.69Å; R434-E436 VanDerWaalsContact CZ-OE2 3.26Å; R434-E436 VanDerWaalsContact NH1-CD 3.31Å; R434-E436 IonicContact NH1-OE1 3.4Å; R434-E436 IonicContact NH1-OE2 3.62Å; R434-E436 PolarHBondContact NH1-OE2 3.41Å; R434-E436 IonicContact NH2-OE2 2.74Å; R434-E436 PolarHBondContact NH2-OE2 3.24Å; R434-E436 VanDerWaalsContact NH2-OE2 3.15Å; R434-E436 PolarHBondContact O-N 3.49Å; R434-E436 VanDerWaalsContact O-N 3.08Å; E436-V438 VanDerWaalsContact C-N 3.27Å; E436-V438 PolarHBondContact O-N 3.33Å; E436-P439 VanDerWaalsContact O-CD 3.32Å; E436-P439 WeakPolarHBondContact O-CD 3.42Å; E436-P439 WeakPolarHBondContact O-CG 3.44Å; E436-N440 WeakPolarHBondContact O-CB 3.3Å; E436-N440 VanDerWaalsContact O-CG 3.22Å; E436-N440 PolarHBondContact O-N 2.85Å; E436-N440 PolarHBondContact O-ND2 3.43Å
437T83.3Confident86.5Confident3 Ų340.9 Ų40.92%0.01823%0.233CC..Hα-helixtrans-66-29.9177.4-68.80000112.1F405 I422 L426 V433 R434 D435 L441F405-T437 HydrophobicContact CD2-CG2 3.65Å; F405-T437 HydrophobicContact CE2-CG2 3.65Å; I422-T437 HydrophobicContact CG2-CG2 4.32Å; L426-T437 HydrophobicContact CD2-CG2 4.37Å; V433-T437 HydrophobicContact CG1-CG2 3.65Å; R434-T437 VanDerWaalsContact O-CB 3.29Å; R434-T437 WeakPolarHBondContact O-CB 3.47Å; R434-T437 PolarHBondContact O-N 2.89Å; R434-T437 PolarHBondContact O-OG1 3.45Å; D435-T437 PolarHBondContact O-N 3.14Å; D435-T437 VanDerWaalsContact O-N 3.11Å; T437-L441 VanDerWaalsContact O-CB 3.31Å; T437-L441 WeakPolarHBondContact O-CB 3.32Å; T437-L441 PolarHBondContact O-N 3.2Å
438V87.4Confident86.4Confident6 Ų638.7 Ų38.74%0.03622%0.219CC..Hα-helixtrans-63.9-58.8179.3173.90000112.3D435 E436 N440 L441 I442 P471 Q474 V475D435-V438 WeakPolarHBondContact O-CB 3.08Å; D435-V438 PolarHBondContact O-N 2.94Å; E436-V438 VanDerWaalsContact C-N 3.27Å; E436-V438 PolarHBondContact O-N 3.33Å; V438-N440 VanDerWaalsContact C-N 3.32Å; V438-N440 PolarHBondContact O-N 3.43Å; V438-L441 PolarHBondContact O-N 2.92Å; V438-I442 HydrophobicContact CG1-CD1 3.85Å; V438-I442 WeakPolarHBondContact O-CB 3.31Å; V438-I442 WeakPolarHBondContact O-CG1 3.44Å; V438-I442 PolarHBondContact O-N 3.26Å; V438-P471 HydrophobicContact CG2-CB 3.71Å; V438-Q474 HydrophobicContact CG1-CB 4.19Å; V438-V475 HydrophobicContact CB-CG2 4.28Å; V438-V475 HydrophobicContact CG1-CG2 3.86Å; V438-V475 HydrophobicContact CG2-CG2 4.26Å
439P89.5Confident86.3Confident70 Ų7041.2 Ų41.246%0.45524%0.239SC..Hα-helixtrans-64.2-35.2178.725.6-34.2000112.4D435 E436 I442 Q443D435-P439 WeakPolarHBondContact O-CD 3.48Å; E436-P439 VanDerWaalsContact O-CD 3.32Å; E436-P439 WeakPolarHBondContact O-CD 3.42Å; E436-P439 WeakPolarHBondContact O-CG 3.44Å; P439-I442 PolarHBondContact O-N 3.34Å; P439-Q443 WeakPolarHBondContact O-CB 3.39Å; P439-Q443 PolarHBondContact O-N 3.27Å
440N87.5Confident86.5Confident58 Ų5848.2 Ų48.231%0.3127%0.27SS..Hα-helixtrans-67.1-38.2178.1-68.2-16.6000112.1F405 E436 V438 L444F405-N440 HydrophobicContact CE1-CB 4.09Å; F405-N440 HydrophobicContact CZ-CB 3.61Å; E436-N440 WeakPolarHBondContact O-CB 3.3Å; E436-N440 VanDerWaalsContact O-CG 3.22Å; E436-N440 PolarHBondContact O-N 2.85Å; E436-N440 PolarHBondContact O-ND2 3.43Å; V438-N440 VanDerWaalsContact C-N 3.32Å; V438-N440 PolarHBondContact O-N 3.43Å; N440-L444 WeakPolarHBondContact O-CB 3.15Å; N440-L444 PolarHBondContact O-N 3.17Å
441L87.9Confident86.8Confident3 Ų348.7 Ų48.72%0.01627%0.272CS..Hα-helixtrans-69.8-43.9172.8177.759.2000111.5I422 L426 T437 V438 Q443 L444 I445 V475I422-L441 HydrophobicContact CB-CD1 4.28Å; I422-L441 HydrophobicContact CD1-CD1 3.99Å; I422-L441 HydrophobicContact CG2-CB 4.46Å; I422-L441 HydrophobicContact CG2-CD1 4.14Å; I422-L441 HydrophobicContact CG2-CD2 3.8Å; I422-L441 HydrophobicContact CG2-CG 4.36Å; L426-L441 HydrophobicContact CD1-CD2 3.47Å; L426-L441 VanDerWaalsContact CD1-CD2 3.47Å; T437-L441 VanDerWaalsContact O-CB 3.31Å; T437-L441 WeakPolarHBondContact O-CB 3.32Å; T437-L441 PolarHBondContact O-N 3.2Å; V438-L441 PolarHBondContact O-N 2.92Å; L441-Q443 VanDerWaalsContact C-N 3.28Å; L441-Q443 PolarHBondContact O-N 3.05Å; L441-L444 HydrophobicContact CD1-CD2 4.23Å; L441-L444 WeakPolarHBondContact O-CB 3.29Å; L441-L444 PolarHBondContact O-N 3.45Å; L441-L444 VanDerWaalsContact O-N 3.1Å; L441-I445 HydrophobicContact CD1-CD1 3.89Å; L441-I445 HydrophobicContact CD1-CG1 3.97Å; L441-I445 HydrophobicContact CD2-CD1 4.43Å; L441-I445 HydrophobicContact CG-CD1 3.79Å; L441-I445 HydrophobicContact CG-CG1 4.32Å; L441-I445 VanDerWaalsContact O-CG1 3.29Å; L441-I445 WeakPolarHBondContact O-CG1 3.42Å; L441-I445 PolarHBondContact O-N 3.01Å; L441-V475 HydrophobicContact CD2-CB 4.47Å; L441-V475 HydrophobicContact CD2-CG1 3.81Å; L441-V475 HydrophobicContact CD2-CG2 4.13Å; L441-V475 HydrophobicContact CG-CG1 4.19Å
442I90.9Very high87.2Confident12 Ų1246.3 Ų46.36%0.06224%0.242CC..Hα-helixtrans-55.3-45.6174.3-75.4169.6000110.5V438 P439 I445 T446 V475 W478 F525V438-I442 HydrophobicContact CG1-CD1 3.85Å; V438-I442 WeakPolarHBondContact O-CB 3.31Å; V438-I442 WeakPolarHBondContact O-CG1 3.44Å; V438-I442 PolarHBondContact O-N 3.26Å; P439-I442 PolarHBondContact O-N 3.34Å; I442-I445 PolarHBondContact O-N 2.98Å; I442-T446 WeakPolarHBondContact O-CB 3.47Å; I442-T446 PolarHBondContact O-N 3.25Å; I442-T446 PolarHBondContact O-OG1 2.96Å; I442-V475 HydrophobicContact CG1-CG1 4.48Å; I442-V475 HydrophobicContact CG1-CG2 4.4Å; I442-W478 HydrophobicContact CB-CE3 4.35Å; I442-W478 HydrophobicContact CD1-CB 4.03Å; I442-W478 HydrophobicContact CD1-CD2 4.03Å; I442-W478 HydrophobicContact CD1-CE3 4.42Å; I442-W478 HydrophobicContact CD1-CG 3.82Å; I442-W478 HydrophobicContact CG1-CD2 4.01Å; I442-W478 HydrophobicContact CG1-CE3 3.91Å; I442-W478 HydrophobicContact CG1-CG 4.29Å; I442-W478 HydrophobicContact CG2-CD2 3.76Å; I442-W478 HydrophobicContact CG2-CE3 3.81Å; I442-W478 HydrophobicContact CG2-CH2 3.73Å; I442-W478 HydrophobicContact CG2-CZ2 3.61Å; I442-W478 HydrophobicContact CG2-CZ3 3.81Å; I442-F525 HydrophobicContact CD1-CE1 4.44Å
443Q90Very high87.3Confident29 Ų2944.7 Ų44.714%0.13624%0.235CC..Hα-helixtrans-60.8-45.2174.6178.4172.737.500112.1P439 L441 I445 T446 N447 I587 Q588P439-Q443 WeakPolarHBondContact O-CB 3.39Å; P439-Q443 PolarHBondContact O-N 3.27Å; L441-Q443 VanDerWaalsContact C-N 3.28Å; L441-Q443 PolarHBondContact O-N 3.05Å; Q443-I445 VanDerWaalsContact C-N 3.34Å; Q443-I445 PolarHBondContact O-N 3.31Å; Q443-T446 PolarHBondContact O-N 2.8Å; Q443-N447 WeakPolarHBondContact CG-ND2 3.46Å; Q443-N447 WeakPolarHBondContact O-CB 3.33Å; Q443-N447 PolarHBondContact O-N 3.08Å; Q443-N447 PolarHBondContact O-ND2 2.94Å; Q443-I587 HydrophobicContact CG-CB 4.16Å; Q443-I587 HydrophobicContact CG-CG2 4.33Å; Q443-I587 PolarHBondContact NE2-O 3.05Å; Q443-Q588 VanDerWaalsContact NE2-C 3.33Å; Q443-Q588 PolarHBondContact NE2-O 3.43Å; Q443-Q588 VanDerWaalsContact NE2-O 3.09Å
444L89.4Confident87.4Confident19 Ų1945 Ų4510%0.09924%0.235CC..Hα-helixtrans-59.9-43.9177.6176.266.3000111.9K415 H418 I419 I422 N440 L441 T448K415-L444 HydrophobicContact CD-CD1 4.15Å; H418-L444 HydrophobicContact CB-CD2 4.26Å; H418-L444 WeakPolarHBondContact ND1-CD2 3.39Å; I419-L444 HydrophobicContact CG1-CD2 4.07Å; I419-L444 HydrophobicContact CG1-CG 4.41Å; I422-L444 HydrophobicContact CD1-CD2 3.79Å; N440-L444 WeakPolarHBondContact O-CB 3.15Å; N440-L444 PolarHBondContact O-N 3.17Å; L441-L444 HydrophobicContact CD1-CD2 4.23Å; L441-L444 WeakPolarHBondContact O-CB 3.29Å; L441-L444 PolarHBondContact O-N 3.45Å; L441-L444 VanDerWaalsContact O-N 3.1Å; L444-T448 PolarHBondContact O-N 2.8Å; L444-T448 PolarHBondContact O-OG1 3.24Å
445I90.4Very high87.7Confident1 Ų140.3 Ų40.31%0.00522%0.218CC..Hα-helixtrans-64.5-51.1178.7-64.2168.7000109.6I419 L441 I442 Q443 N447 T448 H452 T455 L459 V475 Y483I419-I445 HydrophobicContact CD1-CG1 4.49Å; L441-I445 HydrophobicContact CD1-CD1 3.89Å; L441-I445 HydrophobicContact CD1-CG1 3.97Å; L441-I445 HydrophobicContact CD2-CD1 4.43Å; L441-I445 HydrophobicContact CG-CD1 3.79Å; L441-I445 HydrophobicContact CG-CG1 4.32Å; L441-I445 VanDerWaalsContact O-CG1 3.29Å; L441-I445 WeakPolarHBondContact O-CG1 3.42Å; L441-I445 PolarHBondContact O-N 3.01Å; I442-I445 PolarHBondContact O-N 2.98Å; Q443-I445 VanDerWaalsContact C-N 3.34Å; Q443-I445 PolarHBondContact O-N 3.31Å; I445-N447 PolarHBondContact O-N 3.25Å; I445-T448 WeakPolarHBondContact O-CA 3.5Å; I445-T448 PolarHBondContact O-N 3.12Å; I445-H452 PolarHBondContact O-CD2 3.39Å; I445-H452 PolarHBondContact O-NE2 3.41Å; I445-H452 VanDerWaalsContact O-NE2 3.09Å; I445-T455 HydrophobicContact CD1-CG2 3.7Å; I445-T455 HydrophobicContact CG1-CG2 3.97Å; I445-T455 HydrophobicContact CG2-CG2 4.27Å; I445-L459 HydrophobicContact CD1-CD1 4.36Å; I445-V475 HydrophobicContact CD1-CG1 4.03Å; I445-Y483 HydrophobicContact CG2-CE2 4.15Å
446T90.9Very high88.2Confident11 Ų1134.4 Ų34.47%0.06719%0.187CC..Hα-helixtrans-56.9-34.6-179.6-490000113I442 Q443 T448 W478 V586I442-T446 WeakPolarHBondContact O-CB 3.47Å; I442-T446 PolarHBondContact O-N 3.25Å; I442-T446 PolarHBondContact O-OG1 2.96Å; Q443-T446 PolarHBondContact O-N 2.8Å; T446-T448 VanDerWaalsContact C-N 3.28Å; T446-T448 PolarHBondContact O-N 2.98Å; T446-W478 WeakPolarHBondContact OG1-CH2 3.47Å; T446-V586 HydrophobicContact CG2-CB 4.4Å; T446-V586 HydrophobicContact CG2-CG1 4.3Å; T446-V586 HydrophobicContact CG2-CG2 4.3Å
447N89.5Confident88.4Confident82 Ų8230 Ų3044%0.43917%0.166SC..THydrogen-bonded Turntrans-78.1-6.2176.7-81.4-80.7000113.8Q443 I445 V586 I587Q443-N447 WeakPolarHBondContact CG-ND2 3.46Å; Q443-N447 WeakPolarHBondContact O-CB 3.33Å; Q443-N447 PolarHBondContact O-N 3.08Å; Q443-N447 PolarHBondContact O-ND2 2.94Å; I445-N447 PolarHBondContact O-N 3.25Å; N447-V586 HydrophobicContact CB-CG1 4.5Å; N447-V586 VanDerWaalsContact OD1-CG1 3.24Å; N447-V586 WeakPolarHBondContact OD1-CG1 3.27Å; N447-I587 PolarHBondContact ND2-O 2.97Å
448T88.7Confident88.7Confident6 Ų632.9 Ų32.94%0.03718%0.179CC..  trans-120.366.8-172.3-46.60000110.8K415 L444 I445 T446 E450 L451 H452K415-T448 HydrophobicContact CB-CG2 3.69Å; K415-T448 HydrophobicContact CG-CG2 4.11Å; L444-T448 PolarHBondContact O-N 2.8Å; L444-T448 PolarHBondContact O-OG1 3.24Å; I445-T448 WeakPolarHBondContact O-CA 3.5Å; I445-T448 PolarHBondContact O-N 3.12Å; T446-T448 VanDerWaalsContact C-N 3.28Å; T446-T448 PolarHBondContact O-N 2.98Å; T448-E450 HydrophobicContact CG2-CG 4.2Å; T448-E450 PolarHBondContact O-N 3.21Å; T448-E450 VanDerWaalsContact O-N 3.14Å; T448-L451 HydrophobicContact CG2-CB 3.98Å; T448-L451 HydrophobicContact CG2-CD1 3.83Å; T448-L451 HydrophobicContact CG2-CG 3.83Å; T448-L451 PolarHBondContact O-N 3.15Å; T448-H452 PolarHBondContact O-CD2 3.31Å; T448-H452 VanDerWaalsContact O-CD2 3.29Å
449S84.9Confident88.8Confident95 Ų9532.7 Ų32.766%0.66418%0.177SC*.G310 helixtrans-56.5-31.8-172.754.80000115.2L451S449-L451 VanDerWaalsContact C-N 3.28Å; S449-L451 PolarHBondContact O-N 2.77Å
450E87.6Confident88.8Confident155 Ų15530.1 Ų30.172%0.72416%0.159SC*.G310 helixtrans-66.6-24.6178.173.4-162.4169.800113.5T448T448-E450 HydrophobicContact CG2-CG 4.2Å; T448-E450 PolarHBondContact O-N 3.21Å; T448-E450 VanDerWaalsContact O-N 3.14Å
451L87.8Confident88.8Confident13 Ų1332 Ų327%0.06816%0.161CC..G310 helixtrans-106.87.5-175.4-60.3-174.9000114.3K415 R416 I419 T448 S449 C453 Y454 T455K415-L451 HydrophobicContact CB-CD1 4.21Å; R416-L451 VanDerWaalsContact CA-CD1 3.43Å; R416-L451 HydrophobicContact CB-CD1 3.61Å; R416-L451 HydrophobicContact CG-CD1 4.39Å; R416-L451 VanDerWaalsContact N-CD1 3.35Å; I419-L451 HydrophobicContact CD1-CB 4.34Å; I419-L451 HydrophobicContact CD1-CD1 4.08Å; T448-L451 HydrophobicContact CG2-CB 3.98Å; T448-L451 HydrophobicContact CG2-CD1 3.83Å; T448-L451 HydrophobicContact CG2-CG 3.83Å; T448-L451 PolarHBondContact O-N 3.15Å; S449-L451 VanDerWaalsContact C-N 3.28Å; S449-L451 PolarHBondContact O-N 2.77Å; L451-C453 PolarHBondContact O-N 2.74Å; L451-Y454 PolarHBondContact O-N 2.99Å; L451-T455 WeakPolarHBondContact O-CB 3.4Å; L451-T455 PolarHBondContact O-N 3.06Å; L451-T455 PolarHBondContact O-OG1 3.15Å
452H88.9Confident88.7Confident17 Ų1732.4 Ų32.48%0.07917%0.165CC..Hα-helixtrans-57.5-52-179.3-68.1171.7000111.9I445 T448 Y454 T455 V456 Y483 L486I445-H452 PolarHBondContact O-CD2 3.39Å; I445-H452 PolarHBondContact O-NE2 3.41Å; I445-H452 VanDerWaalsContact O-NE2 3.09Å; T448-H452 PolarHBondContact O-CD2 3.31Å; T448-H452 VanDerWaalsContact O-CD2 3.29Å; H452-Y454 PolarHBondContact O-N 3.21Å; H452-T455 PolarHBondContact O-N 2.56Å; H452-V456 WeakPolarHBondContact O-CG2 3.32Å; H452-V456 PolarHBondContact O-N 3.3Å; H452-Y483 HydrophobicContact CB-CD1 4.33Å; H452-Y483 HydrophobicContact CB-CD2 4.41Å; H452-Y483 HydrophobicContact CB-CG 4.26Å; H452-Y483 AromaticContact CD2-CZ 3.91Å; H452-Y483 AromaticContact CE1-CE1 3.41Å; H452-Y483 VanDerWaalsContact CE1-CE1 3.41Å; H452-Y483 WeakPolarHBondContact CE1-CE1 3.19Å; H452-Y483 AromaticContact CE1-CZ 3.4Å; H452-Y483 VanDerWaalsContact CE1-CZ 3.4Å; H452-Y483 PolarHBondContact CE1-OH 3.32Å; H452-Y483 VanDerWaalsContact CE1-OH 3.32Å; H452-Y483 AromaticContact CG-CE1 3.91Å; H452-Y483 AromaticContact CG-CZ 3.91Å; H452-Y483 AromaticContact ND1-CD1 3.74Å; H452-Y483 AromaticContact ND1-CE1 3.29Å; H452-Y483 VanDerWaalsContact ND1-CE1 3.29Å; H452-Y483 WeakPolarHBondContact ND1-CE1 3.43Å; H452-Y483 AromaticContact ND1-CZ 3.61Å; H452-Y483 AromaticContact NE2-CZ 3.61Å; H452-Y483 PolarHBondContact NE2-OH 2.97Å; H452-L486 HydrophobicContact CB-CD1 3.71Å
453C86.8Confident88.5Confident22 Ų2232 Ų3215%0.14916%0.163CC..Hα-helixtrans-56.2-49.3179177.60000111.9L451 T455 H457 L486 E491L451-C453 PolarHBondContact O-N 2.74Å; C453-T455 PolarHBondContact O-N 3.38Å; C453-H457 PolarHBondContact O-N 3.48Å; C453-H457 PolarHBondContact O-ND1 3.21Å; C453-H457 VanDerWaalsContact SG-CE1 3.56Å; C453-L486 HydrophobicContact CB-CB 4.39Å; C453-E491 PolarHBondContact SG-O 2.61Å
454Y88.1Confident88.2Confident17 Ų1735.9 Ų35.97%0.06718%0.18CC..Hα-helixtrans-56.7-49.1176.6173.6-107.8000112.6R416 D420 L451 H452 K458 T495R416-Y454 HydrophobicContact CG-CE1 4.01Å; R416-Y454 PolarHBondContact NH2-OH 3.13Å; D420-Y454 WeakPolarHBondContact OD1-CE1 3.29Å; D420-Y454 PolarHBondContact OD1-OH 3.11Å; D420-Y454 PolarHBondContact OD2-OH 3.38Å; L451-Y454 PolarHBondContact O-N 2.99Å; H452-Y454 PolarHBondContact O-N 3.21Å; Y454-K458 HydrophobicContact CE1-CD 4.22Å; Y454-K458 WeakPolarHBondContact O-CB 3.49Å; Y454-K458 PolarHBondContact O-N 3.43Å; Y454-K458 PolarHBondContact OH-NZ 2.76Å; Y454-T495 VanDerWaalsContact CE2-OG1 3.28Å; Y454-T495 WeakPolarHBondContact CE2-OG1 3.5Å
455T89.4Confident88Confident4 Ų440.7 Ų40.73%0.02521%0.21CC..Hα-helixtrans-67.5-40.8-173.7-53.60000111.5I419 I445 L451 H452 C453 K458 L459I419-T455 HydrophobicContact CG2-CG2 3.77Å; I445-T455 HydrophobicContact CD1-CG2 3.7Å; I445-T455 HydrophobicContact CG1-CG2 3.97Å; I445-T455 HydrophobicContact CG2-CG2 4.27Å; L451-T455 WeakPolarHBondContact O-CB 3.4Å; L451-T455 PolarHBondContact O-N 3.06Å; L451-T455 PolarHBondContact O-OG1 3.15Å; H452-T455 PolarHBondContact O-N 2.56Å; C453-T455 PolarHBondContact O-N 3.38Å; T455-K458 PolarHBondContact O-N 3.41Å; T455-L459 HydrophobicContact CG2-CD1 3.85Å; T455-L459 HydrophobicContact CG2-CG 4.42Å; T455-L459 WeakPolarHBondContact O-CB 3.39Å; T455-L459 WeakPolarHBondContact O-CG 3.19Å; T455-L459 PolarHBondContact O-N 2.94Å
456V89.7Confident87.7Confident1 Ų143.1 Ų43.11%0.00622%0.223CC..Hα-helixtrans-67.1-46.1-179.6179.50000110.9H452 K458 L459 Y460 C479 Y483 L487H452-V456 WeakPolarHBondContact O-CG2 3.32Å; H452-V456 PolarHBondContact O-N 3.3Å; V456-K458 PolarHBondContact O-N 2.96Å; V456-L459 PolarHBondContact O-N 2.89Å; V456-Y460 VanDerWaalsContact O-CB 3.22Å; V456-Y460 WeakPolarHBondContact O-CB 3.01Å; V456-Y460 PolarHBondContact O-N 3.02Å; V456-C479 HydrophobicContact CG2-CB 4.2Å; V456-Y483 HydrophobicContact CG2-CD2 3.9Å; V456-Y483 HydrophobicContact CG2-CG 4.17Å; V456-L487 HydrophobicContact CG1-CB 3.95Å; V456-L487 HydrophobicContact CG1-CD1 4.29Å; V456-L487 HydrophobicContact CG1-CD2 4.19Å; V456-L487 HydrophobicContact CG1-CG 4.38Å
457H88.3Confident87.4Confident6 Ų644.4 Ų44.43%0.02823%0.229CC..Hα-helixtrans-57.8-36.8174.6-78.584.4000112.4C453 R461C453-H457 PolarHBondContact O-N 3.48Å; C453-H457 PolarHBondContact O-ND1 3.21Å; C453-H457 VanDerWaalsContact SG-CE1 3.56Å; H457-R461 WeakPolarHBondContact O-CG 3.41Å; H457-R461 PolarHBondContact O-N 2.84Å; H457-R461 VanDerWaalsContact O-N 3.15Å
458K88.3Confident87.3Confident64 Ų6443.4 Ų43.428%0.27823%0.228SC..Hα-helixtrans-76.5-40.5-179.1-153.2177.7178.9174.80112.7D420 L423 Y454 T455 V456 A462D420-K458 VanDerWaalsContact CG-NZ 3.28Å; D420-K458 IonicContact OD1-NZ 2.74Å; D420-K458 PolarHBondContact OD1-NZ 2.99Å; D420-K458 IonicContact OD2-NZ 3.29Å; L423-K458 HydrophobicContact CD2-CB 4.01Å; L423-K458 HydrophobicContact CD2-CD 3.53Å; L423-K458 HydrophobicContact CD2-CG 3.5Å; Y454-K458 HydrophobicContact CE1-CD 4.22Å; Y454-K458 WeakPolarHBondContact O-CB 3.49Å; Y454-K458 PolarHBondContact O-N 3.43Å; Y454-K458 PolarHBondContact OH-NZ 2.76Å; T455-K458 PolarHBondContact O-N 3.41Å; V456-K458 PolarHBondContact O-N 2.96Å; K458-A462 WeakPolarHBondContact O-CB 3.25Å; K458-A462 PolarHBondContact O-N 3.34Å
459L89.9Confident87.3Confident2 Ų244.3 Ų44.31%0.0123%0.232CC..Hα-helixtrans-63.4-41.4171.5-78.3165.8000111.7L423 I445 T455 V456 A462 L463 L472 V475 A476 C479L423-L459 HydrophobicContact CD1-CD2 3.56Å; L423-L459 HydrophobicContact CD1-CG 4.33Å; I445-L459 HydrophobicContact CD1-CD1 4.36Å; T455-L459 HydrophobicContact CG2-CD1 3.85Å; T455-L459 HydrophobicContact CG2-CG 4.42Å; T455-L459 WeakPolarHBondContact O-CB 3.39Å; T455-L459 WeakPolarHBondContact O-CG 3.19Å; T455-L459 PolarHBondContact O-N 2.94Å; V456-L459 PolarHBondContact O-N 2.89Å; L459-A462 PolarHBondContact O-N 2.92Å; L459-L463 PolarHBondContact O-N 3.45Å; L459-L472 HydrophobicContact CD2-CD1 4.06Å; L459-V475 HydrophobicContact CD1-CG1 3.98Å; L459-V475 HydrophobicContact CD2-CB 4.5Å; L459-V475 HydrophobicContact CD2-CG1 4.05Å; L459-A476 HydrophobicContact CB-CB 4.1Å; L459-A476 HydrophobicContact CD2-CB 4.23Å; L459-C479 HydrophobicContact CD1-CB 3.68Å; L459-C479 VanDerWaalsContact CD1-SG 3.52Å
460Y89Confident87.5Confident16 Ų1641 Ų416%0.06321%0.207CC..Hα-helixtrans-58.2-52.2175.7-174.9-105.1000111.2V456 A462 L463 F464 I480 L487 V500 D504 V505 A508V456-Y460 VanDerWaalsContact O-CB 3.22Å; V456-Y460 WeakPolarHBondContact O-CB 3.01Å; V456-Y460 PolarHBondContact O-N 3.02Å; Y460-A462 VanDerWaalsContact C-N 3.31Å; Y460-A462 PolarHBondContact O-N 3.24Å; Y460-L463 WeakPolarHBondContact O-CB 3.46Å; Y460-L463 PolarHBondContact O-N 2.72Å; Y460-L463 VanDerWaalsContact O-N 3.16Å; Y460-F464 HydrophobicContact CD1-CE2 4.13Å; Y460-F464 HydrophobicContact CD2-CE2 4.14Å; Y460-F464 HydrophobicContact CE1-CD2 4.31Å; Y460-F464 AromaticContact CE1-CE2 3.61Å; Y460-F464 HydrophobicContact CE1-CE2 3.61Å; Y460-F464 HydrophobicContact CE1-CZ 4.42Å; Y460-F464 AromaticContact CE2-CE2 3.63Å; Y460-F464 HydrophobicContact CE2-CE2 3.63Å; Y460-F464 HydrophobicContact CE2-CZ 4.28Å; Y460-F464 HydrophobicContact CG-CE2 4.37Å; Y460-F464 AromaticContact CZ-CE2 3.34Å; Y460-F464 AromaticContact CZ-CZ 3.89Å; Y460-F464 WeakPolarHBondContact O-CD2 3.49Å; Y460-F464 PolarHBondContact O-N 2.72Å; Y460-I480 HydrophobicContact CD2-CD1 4.12Å; Y460-L487 HydrophobicContact CD2-CD2 3.76Å; Y460-L487 HydrophobicContact CE2-CD2 4.13Å; Y460-L487 HydrophobicContact CG-CD1 4.39Å; Y460-L487 HydrophobicContact CG-CD2 4.03Å; Y460-V500 HydrophobicContact CD1-CG2 4Å; Y460-V500 HydrophobicContact CE1-CB 4.29Å; Y460-V500 HydrophobicContact CE1-CG1 3.66Å; Y460-V500 HydrophobicContact CE1-CG2 3.57Å; Y460-V500 HydrophobicContact CE2-CG1 4.22Å; Y460-V500 VanDerWaalsContact CZ-CG1 3.47Å; Y460-V500 WeakPolarHBondContact OH-CG1 3.47Å; Y460-D504 VanDerWaalsContact OH-C 3.3Å; Y460-D504 WeakPolarHBondContact OH-CB 3.43Å; Y460-D504 PolarHBondContact OH-O 3.33Å; Y460-V505 HydrophobicContact CE2-CB 4.47Å; Y460-V505 HydrophobicContact CE2-CG2 3.94Å; Y460-A508 HydrophobicContact CE2-CB 4.28Å
461R87.7Confident87.6Confident97 Ų9733.9 Ų33.937%0.36617%0.173SC..Hα-helixtrans-58.1-39.7174.2-74.6176173.2159.5-1.1113.1H457 L463 T465 T495 E496H457-R461 WeakPolarHBondContact O-CG 3.41Å; H457-R461 PolarHBondContact O-N 2.84Å; H457-R461 VanDerWaalsContact O-N 3.15Å; R461-L463 VanDerWaalsContact C-N 3.33Å; R461-T465 PolarHBondContact O-OG1 2.94Å; R461-T495 VanDerWaalsContact NH1-CG2 3.31Å; R461-E496 PolarHBondContact NH2-O 3.26Å
462A87.1Confident87.7Confident12 Ų1233.3 Ų33.310%0.09917%0.171CC..Hα-helixtrans-65.7-36.6178.500000112.1T427 K458 L459 Y460 F464 T465 D466 L472T427-A462 HydrophobicContact CG2-CB 4.25Å; K458-A462 WeakPolarHBondContact O-CB 3.25Å; K458-A462 PolarHBondContact O-N 3.34Å; L459-A462 PolarHBondContact O-N 2.92Å; Y460-A462 VanDerWaalsContact C-N 3.31Å; Y460-A462 PolarHBondContact O-N 3.24Å; A462-F464 PolarHBondContact O-N 2.84Å; A462-T465 WeakPolarHBondContact O-CB 3.04Å; A462-T465 PolarHBondContact O-N 2.69Å; A462-D466 PolarHBondContact O-N 3.4Å; A462-L472 HydrophobicContact CB-CD1 4.21Å; A462-L472 HydrophobicContact CB-CD2 4.17Å
463L86.9Confident87.9Confident2 Ų232.5 Ų32.51%0.0117%0.167CC..Hα-helixtrans-61.1-41.2178.2-176.562.2000112.9L459 Y460 R461 T465 I467 V473 A476 I480 A508 V512L459-L463 PolarHBondContact O-N 3.45Å; Y460-L463 WeakPolarHBondContact O-CB 3.46Å; Y460-L463 PolarHBondContact O-N 2.72Å; Y460-L463 VanDerWaalsContact O-N 3.16Å; R461-L463 VanDerWaalsContact C-N 3.33Å; L463-T465 PolarHBondContact O-N 2.74Å; L463-I467 HydrophobicContact CD1-CG1 4.27Å; L463-I467 VanDerWaalsContact O-CG1 3.23Å; L463-I467 WeakPolarHBondContact O-CG1 3.37Å; L463-V473 HydrophobicContact CD1-CB 4.24Å; L463-V473 HydrophobicContact CD1-CG1 3.84Å; L463-V473 HydrophobicContact CD1-CG2 3.85Å; L463-A476 HydrophobicContact CB-CB 4.47Å; L463-I480 HydrophobicContact CD2-CD1 4.04Å; L463-A508 HydrophobicContact CD2-CB 4.22Å; L463-V512 HydrophobicContact CD1-CG2 3.82Å; L463-V512 HydrophobicContact CD2-CG2 4.33Å; L463-V512 HydrophobicContact CG-CG2 4.46Å
464F82.9Confident88.1Confident112 Ų11232.2 Ų32.249%0.49116%0.163SC..Hα-helixtrans-69.9-17.5174-74.9-86.7000114Y460 A462 A508Y460-F464 HydrophobicContact CD1-CE2 4.13Å; Y460-F464 HydrophobicContact CD2-CE2 4.14Å; Y460-F464 HydrophobicContact CE1-CD2 4.31Å; Y460-F464 AromaticContact CE1-CE2 3.61Å; Y460-F464 HydrophobicContact CE1-CE2 3.61Å; Y460-F464 HydrophobicContact CE1-CZ 4.42Å; Y460-F464 AromaticContact CE2-CE2 3.63Å; Y460-F464 HydrophobicContact CE2-CE2 3.63Å; Y460-F464 HydrophobicContact CE2-CZ 4.28Å; Y460-F464 HydrophobicContact CG-CE2 4.37Å; Y460-F464 AromaticContact CZ-CE2 3.34Å; Y460-F464 AromaticContact CZ-CZ 3.89Å; Y460-F464 WeakPolarHBondContact O-CD2 3.49Å; Y460-F464 PolarHBondContact O-N 2.72Å; A462-F464 PolarHBondContact O-N 2.84Å; F464-A508 HydrophobicContact CE1-CB 4.5Å; F464-A508 HydrophobicContact CE2-CB 4.03Å; F464-A508 HydrophobicContact CZ-CB 3.72Å
465T84.5Confident88.3Confident120 Ų12031.4 Ų31.474%0.73616%0.16SC*.Hα-helixtrans-82.4-44.6-178-52.70000111.1R461 A462 L463R461-T465 PolarHBondContact O-OG1 2.94Å; A462-T465 WeakPolarHBondContact O-CB 3.04Å; A462-T465 PolarHBondContact O-N 2.69Å; L463-T465 PolarHBondContact O-N 2.74Å
466D83.8Confident88.5Confident52 Ų5231.2 Ų31.228%0.27816%0.159SC..  trans-156.2115.8-179.6-171.9-0.5000112.4A462 S468 Q469A462-D466 PolarHBondContact O-N 3.4Å; D466-S468 VanDerWaalsContact CG-OG 3.24Å; D466-S468 WeakPolarHBondContact OD1-CB 3.32Å; D466-S468 PolarHBondContact OD1-N 3.04Å; D466-S468 PolarHBondContact OD1-OG 3.39Å; D466-S468 PolarHBondContact OD2-OG 3.48Å; D466-S468 VanDerWaalsContact OD2-OG 3.13Å; D466-Q469 WeakPolarHBondContact OD2-CG 3.49Å; D466-Q469 PolarHBondContact OD2-NE2 3.48Å
467I86Confident88.7Confident37 Ų3731.1 Ų31.119%0.1916%0.158CC..SBendtrans-92.6-9178.2-57.3177.1000111.6L463 Q469 Q470 V473 I511 V512L463-I467 HydrophobicContact CD1-CG1 4.27Å; L463-I467 VanDerWaalsContact O-CG1 3.23Å; L463-I467 WeakPolarHBondContact O-CG1 3.37Å; I467-Q469 PolarHBondContact O-N 2.96Å; I467-Q470 PolarHBondContact O-NE2 3.31Å; I467-V473 HydrophobicContact CG2-CG2 4.25Å; I467-I511 HydrophobicContact CD1-CB 4.47Å; I467-I511 HydrophobicContact CD1-CG2 3.47Å; I467-I511 VanDerWaalsContact CD1-CG2 3.47Å; I467-V512 HydrophobicContact CG2-CG2 4.19Å
468S86.4Confident89Confident61 Ų6132.7 Ų32.743%0.42716%0.164SC..SBendtrans-65.6-29178.9730000112.3D466 Q470D466-S468 VanDerWaalsContact CG-OG 3.24Å; D466-S468 WeakPolarHBondContact OD1-CB 3.32Å; D466-S468 PolarHBondContact OD1-N 3.04Å; D466-S468 PolarHBondContact OD1-OG 3.39Å; D466-S468 PolarHBondContact OD2-OG 3.48Å; D466-S468 VanDerWaalsContact OD2-OG 3.13Å; S468-Q470 PolarHBondContact O-N 3.21Å; S468-Q470 PolarHBondContact O-NE2 2.98Å
469Q88.4Confident89.2Confident26 Ų2629.7 Ų29.712%0.12115%0.151CC..  trans-82.184.8-171.3-57.8-171.519.300112.3L426 T427 D466 I467 L472 V473L426-Q469 PolarHBondContact O-OE1 3.13Å; T427-Q469 VanDerWaalsContact C-OE1 3.23Å; T427-Q469 PolarHBondContact O-NE2 3.23Å; T427-Q469 PolarHBondContact O-OE1 3.37Å; D466-Q469 WeakPolarHBondContact OD2-CG 3.49Å; D466-Q469 PolarHBondContact OD2-NE2 3.48Å; I467-Q469 PolarHBondContact O-N 2.96Å; Q469-L472 HydrophobicContact CB-CB 4.13Å; Q469-L472 HydrophobicContact CB-CD2 4.45Å; Q469-L472 WeakPolarHBondContact O-CB 3.4Å; Q469-L472 PolarHBondContact O-N 3.46Å; Q469-V473 PolarHBondContact O-N 3.44Å; Q469-V473 VanDerWaalsContact O-N 3.14Å
470Q89.3Confident89.3Confident26 Ų2629.6 Ų29.612%0.12115%0.15CC..Hα-helixtrans-51.6-45.5-170.7-57.2-57-63.800115.3I467 S468 L472 V473 Q474 M517 T519 T522I467-Q470 PolarHBondContact O-NE2 3.31Å; S468-Q470 PolarHBondContact O-N 3.21Å; S468-Q470 PolarHBondContact O-NE2 2.98Å; Q470-L472 VanDerWaalsContact C-N 3.3Å; Q470-L472 PolarHBondContact O-N 2.91Å; Q470-V473 PolarHBondContact O-N 3.07Å; Q470-Q474 VanDerWaalsContact O-CG 3.26Å; Q470-Q474 WeakPolarHBondContact O-CG 3.5Å; Q470-Q474 PolarHBondContact O-N 3.15Å; Q470-M517 PolarHBondContact NE2-O 2.95Å; Q470-M517 VanDerWaalsContact NE2-O 3.15Å; Q470-T519 HydrophobicContact CG-CG2 3.96Å; Q470-T522 PolarHBondContact OE1-OG1 3.37Å
471P90Very high89.4Confident4 Ų428.9 Ų28.93%0.02615%0.148CC..Hα-helixtrans-64-32.7179.4-25.338.3000113.4L426 V438 V475L426-P471 HydrophobicContact CD2-CB 3.86Å; V438-P471 HydrophobicContact CG2-CB 3.71Å; P471-V475 WeakPolarHBondContact O-CG2 3.24Å; P471-V475 PolarHBondContact O-N 3.1Å
472L90.9Very high89.5Confident2 Ų224.3 Ų24.31%0.0113%0.131CC..Hα-helixtrans-67.3-47.8174.6175.765.8000110.8L423 L426 T427 L459 A462 Q469 Q470 Q474 V475 A476L423-L472 HydrophobicContact CD1-CD1 3.5Å; L423-L472 VanDerWaalsContact CD1-CD1 3.5Å; L426-L472 HydrophobicContact CB-CB 4.31Å; L426-L472 HydrophobicContact CB-CD1 4.13Å; L426-L472 HydrophobicContact CD1-CD1 4.48Å; T427-L472 HydrophobicContact CG2-CD1 4.4Å; T427-L472 HydrophobicContact CG2-CD2 3.89Å; L459-L472 HydrophobicContact CD2-CD1 4.06Å; A462-L472 HydrophobicContact CB-CD1 4.21Å; A462-L472 HydrophobicContact CB-CD2 4.17Å; Q469-L472 HydrophobicContact CB-CB 4.13Å; Q469-L472 HydrophobicContact CB-CD2 4.45Å; Q469-L472 WeakPolarHBondContact O-CB 3.4Å; Q469-L472 PolarHBondContact O-N 3.46Å; Q470-L472 VanDerWaalsContact C-N 3.3Å; Q470-L472 PolarHBondContact O-N 2.91Å; L472-Q474 PolarHBondContact O-N 2.94Å; L472-V475 PolarHBondContact O-N 3.47Å; L472-A476 WeakPolarHBondContact O-CB 3.4Å; L472-A476 PolarHBondContact O-N 3.21Å
473V91.7Very high89.6Confident0 Ų024.3 Ų24.30%013%0.128CC..Hα-helixtrans-63.2-41.3-179.7-178.70000111.3L463 I467 Q469 Q470 V475 A476 C477 V512 T522L463-V473 HydrophobicContact CD1-CB 4.24Å; L463-V473 HydrophobicContact CD1-CG1 3.84Å; L463-V473 HydrophobicContact CD1-CG2 3.85Å; I467-V473 HydrophobicContact CG2-CG2 4.25Å; Q469-V473 PolarHBondContact O-N 3.44Å; Q469-V473 VanDerWaalsContact O-N 3.14Å; Q470-V473 PolarHBondContact O-N 3.07Å; V473-V475 PolarHBondContact O-N 3.46Å; V473-A476 PolarHBondContact O-N 3.16Å; V473-C477 WeakPolarHBondContact O-CB 3.27Å; V473-C477 PolarHBondContact O-N 3.43Å; V473-C477 PolarHBondContact O-SG 3.01Å; V473-C477 VanDerWaalsContact O-SG 3.35Å; V473-V512 HydrophobicContact CG1-CB 4.4Å; V473-V512 HydrophobicContact CG1-CG1 3.59Å; V473-V512 HydrophobicContact CG1-CG2 3.79Å; V473-T522 HydrophobicContact CB-CG2 3.9Å; V473-T522 HydrophobicContact CG1-CG2 3.4Å
474Q92.1Very high89.6Confident15 Ų1524.3 Ų24.37%0.0713%0.129CC..Hα-helixtrans-60-46.8177.6-71.9167.311.600112.3V438 Q470 L472 W478 T522 F525V438-Q474 HydrophobicContact CG1-CB 4.19Å; Q470-Q474 VanDerWaalsContact O-CG 3.26Å; Q470-Q474 WeakPolarHBondContact O-CG 3.5Å; Q470-Q474 PolarHBondContact O-N 3.15Å; L472-Q474 PolarHBondContact O-N 2.94Å; Q474-W478 WeakPolarHBondContact O-CB 3.24Å; Q474-W478 PolarHBondContact O-N 3.11Å; Q474-T522 HydrophobicContact CG-CG2 4.18Å; Q474-T522 WeakPolarHBondContact CG-OG1 3.37Å; Q474-T522 PolarHBondContact NE2-OG1 3.37Å; Q474-F525 HydrophobicContact CB-CD2 4.02Å; Q474-F525 HydrophobicContact CB-CE2 4.24Å; Q474-F525 HydrophobicContact CB-CG 4.4Å; Q474-F525 HydrophobicContact CG-CD2 3.81Å; Q474-F525 HydrophobicContact CG-CE2 4.19Å
475V92.5Very high89.7Confident0 Ų020.1 Ų20.10%011%0.112CC..Hα-helixtrans-65.1-43.2175.7178.10000110.7V438 L441 I442 I445 L459 P471 L472 V473 W478 C479V438-V475 HydrophobicContact CB-CG2 4.28Å; V438-V475 HydrophobicContact CG1-CG2 3.86Å; V438-V475 HydrophobicContact CG2-CG2 4.26Å; L441-V475 HydrophobicContact CD2-CB 4.47Å; L441-V475 HydrophobicContact CD2-CG1 3.81Å; L441-V475 HydrophobicContact CD2-CG2 4.13Å; L441-V475 HydrophobicContact CG-CG1 4.19Å; I442-V475 HydrophobicContact CG1-CG1 4.48Å; I442-V475 HydrophobicContact CG1-CG2 4.4Å; I445-V475 HydrophobicContact CD1-CG1 4.03Å; L459-V475 HydrophobicContact CD1-CG1 3.98Å; L459-V475 HydrophobicContact CD2-CB 4.5Å; L459-V475 HydrophobicContact CD2-CG1 4.05Å; P471-V475 WeakPolarHBondContact O-CG2 3.24Å; P471-V475 PolarHBondContact O-N 3.1Å; L472-V475 PolarHBondContact O-N 3.47Å; V473-V475 PolarHBondContact O-N 3.46Å; V475-W478 PolarHBondContact O-N 2.87Å; V475-C479 WeakPolarHBondContact O-CB 3.26Å; V475-C479 PolarHBondContact O-N 3.05Å; V475-C479 PolarHBondContact O-SG 3.23Å
476A92.5Very high89.7Confident0 Ų016.4 Ų16.40%09%0.087CC..Hα-helixtrans-60.5-50.7178.600000112L459 L463 L472 V473 W478 C479 I480L459-A476 HydrophobicContact CB-CB 4.1Å; L459-A476 HydrophobicContact CD2-CB 4.23Å; L463-A476 HydrophobicContact CB-CB 4.47Å; L472-A476 WeakPolarHBondContact O-CB 3.4Å; L472-A476 PolarHBondContact O-N 3.21Å; V473-A476 PolarHBondContact O-N 3.16Å; A476-W478 PolarHBondContact O-N 3.43Å; A476-C479 PolarHBondContact O-N 2.93Å; A476-I480 WeakPolarHBondContact O-CB 3.19Å; A476-I480 WeakPolarHBondContact O-CD1 3.49Å; A476-I480 VanDerWaalsContact O-CG1 3.24Å; A476-I480 WeakPolarHBondContact O-CG1 3.42Å; A476-I480 PolarHBondContact O-N 2.86Å
477C93.9Very high89.7Confident0 Ų014 Ų140%07%0.074CC..Hα-helixtrans-58.1-45.9176.3-70.60000111.8V473 C479 I480 G481 L509 F525 A529V473-C477 WeakPolarHBondContact O-CB 3.27Å; V473-C477 PolarHBondContact O-N 3.43Å; V473-C477 PolarHBondContact O-SG 3.01Å; V473-C477 VanDerWaalsContact O-SG 3.35Å; C477-C479 PolarHBondContact O-N 3Å; C477-I480 PolarHBondContact O-N 3.19Å; C477-G481 PolarHBondContact O-N 2.61Å; C477-L509 HydrophobicContact CB-CD2 4.29Å; C477-F525 HydrophobicContact CB-CB 4.16Å; C477-A529 HydrophobicContact CB-CB 4.42Å; C477-A529 WeakPolarHBondContact O-CB 3.38Å
478W94.3Very high89.5Confident39 Ų3914.3 Ų14.315%0.1488%0.076CC..Hα-helixtrans-60.3-46.3177.7-175.392.3000112.1I442 T446 Q474 V475 A476 G481 E482 Y483 F525I442-W478 HydrophobicContact CB-CE3 4.35Å; I442-W478 HydrophobicContact CD1-CB 4.03Å; I442-W478 HydrophobicContact CD1-CD2 4.03Å; I442-W478 HydrophobicContact CD1-CE3 4.42Å; I442-W478 HydrophobicContact CD1-CG 3.82Å; I442-W478 HydrophobicContact CG1-CD2 4.01Å; I442-W478 HydrophobicContact CG1-CE3 3.91Å; I442-W478 HydrophobicContact CG1-CG 4.29Å; I442-W478 HydrophobicContact CG2-CD2 3.76Å; I442-W478 HydrophobicContact CG2-CE3 3.81Å; I442-W478 HydrophobicContact CG2-CH2 3.73Å; I442-W478 HydrophobicContact CG2-CZ2 3.61Å; I442-W478 HydrophobicContact CG2-CZ3 3.81Å; T446-W478 WeakPolarHBondContact OG1-CH2 3.47Å; Q474-W478 WeakPolarHBondContact O-CB 3.24Å; Q474-W478 PolarHBondContact O-N 3.11Å; V475-W478 PolarHBondContact O-N 2.87Å; A476-W478 PolarHBondContact O-N 3.43Å; W478-G481 PolarHBondContact O-N 3.5Å; W478-E482 HydrophobicContact CD2-CG 4.34Å; W478-E482 HydrophobicContact CH2-CB 4.37Å; W478-E482 HydrophobicContact CH2-CG 3.9Å; W478-E482 HydrophobicContact CZ2-CG 3.69Å; W478-E482 HydrophobicContact CZ3-CB 4.5Å; W478-E482 HydrophobicContact CZ3-CG 4.36Å; W478-E482 PolarHBondContact O-N 3.02Å; W478-Y483 HydrophobicContact CH2-CE2 4.33Å; W478-Y483 AromaticContact CZ3-CE2 3.93Å; W478-Y483 HydrophobicContact CZ3-CE2 3.93Å; W478-F525 HydrophobicContact CB-CD1 4.03Å; W478-F525 HydrophobicContact CB-CE1 4.27Å; W478-F525 HydrophobicContact CG-CE1 4.48Å
479C92.4Very high88.9Confident0 Ų017.1 Ų17.10%08%0.081CC..Hα-helixtrans-66-38.2178.2-74.20000113.2V456 L459 V475 A476 C477 G481 E482 Y483V456-C479 HydrophobicContact CG2-CB 4.2Å; L459-C479 HydrophobicContact CD1-CB 3.68Å; L459-C479 VanDerWaalsContact CD1-SG 3.52Å; V475-C479 WeakPolarHBondContact O-CB 3.26Å; V475-C479 PolarHBondContact O-N 3.05Å; V475-C479 PolarHBondContact O-SG 3.23Å; A476-C479 PolarHBondContact O-N 2.93Å; C477-C479 PolarHBondContact O-N 3Å; C479-G481 VanDerWaalsContact C-N 3.34Å; C479-E482 PolarHBondContact O-N 3.12Å; C479-Y483 WeakPolarHBondContact O-CB 3.27Å; C479-Y483 PolarHBondContact O-N 3.43Å
480I91.9Very high87.8Confident0 Ų017 Ų170%09%0.087CC..Hα-helixtrans-62.7-43174.2-70.6164.1000110.1Y460 L463 A476 C477 G484 V505 L509 L533Y460-I480 HydrophobicContact CD2-CD1 4.12Å; L463-I480 HydrophobicContact CD2-CD1 4.04Å; A476-I480 WeakPolarHBondContact O-CB 3.19Å; A476-I480 WeakPolarHBondContact O-CD1 3.49Å; A476-I480 VanDerWaalsContact O-CG1 3.24Å; A476-I480 WeakPolarHBondContact O-CG1 3.42Å; A476-I480 PolarHBondContact O-N 2.86Å; C477-I480 PolarHBondContact O-N 3.19Å; I480-G484 VanDerWaalsContact O-CA 3.26Å; I480-G484 WeakPolarHBondContact O-CA 3.5Å; I480-G484 PolarHBondContact O-N 3.17Å; I480-V505 HydrophobicContact CG2-CG1 3.56Å; I480-L509 HydrophobicContact CG2-CD1 4.17Å; I480-L533 HydrophobicContact CG2-CD1 4.16Å; I480-L533 HydrophobicContact CG2-CD2 4.38Å; I480-L533 WeakPolarHBondContact O-CD2 3.44Å
481G91.7Very high86.5Confident1 Ų123.3 Ų23.31%0.0112%0.116CC..Hα-helixtrans-64-39.9176.800000114.2C477 W478 C479 K532C477-G481 PolarHBondContact O-N 2.61Å; W478-G481 PolarHBondContact O-N 3.5Å; C479-G481 VanDerWaalsContact C-N 3.34Å; G481-K532 VanDerWaalsContact O-CB 3.29Å; G481-K532 WeakPolarHBondContact O-CB 2.94Å
482E90Very high85.1Confident2 Ų224 Ų241%0.00912%0.121CC..Hα-helixtrans-83.9-27.7-178.6-77.9-65.1173.600115.1W478 C479 K532 R536 R583 M584W478-E482 HydrophobicContact CD2-CG 4.34Å; W478-E482 HydrophobicContact CH2-CB 4.37Å; W478-E482 HydrophobicContact CH2-CG 3.9Å; W478-E482 HydrophobicContact CZ2-CG 3.69Å; W478-E482 HydrophobicContact CZ3-CB 4.5Å; W478-E482 HydrophobicContact CZ3-CG 4.36Å; W478-E482 PolarHBondContact O-N 3.02Å; C479-E482 PolarHBondContact O-N 3.12Å; E482-K532 IonicContact OE1-NZ 2.7Å; E482-K532 PolarHBondContact OE1-NZ 3.33Å; E482-R536 PolarHBondContact O-NH1 3.16Å; E482-R536 IonicContact OE2-NH2 3.01Å; E482-R536 PolarHBondContact OE2-NH2 3.25Å; E482-R583 PolarHBondContact O-NE 3.07Å; E482-M584 WeakPolarHBondContact OE1-CG 3.3Å
483Y89.9Confident83.5Confident11 Ų1133.4 Ų33.44%0.04316%0.164CC..Hα-helixtrans-133.218.3-169.3-52.4-54.8000113.3I445 H452 V456 W478 C479 D485 L486 L487I445-Y483 HydrophobicContact CG2-CE2 4.15Å; H452-Y483 HydrophobicContact CB-CD1 4.33Å; H452-Y483 HydrophobicContact CB-CD2 4.41Å; H452-Y483 HydrophobicContact CB-CG 4.26Å; H452-Y483 AromaticContact CD2-CZ 3.91Å; H452-Y483 AromaticContact CE1-CE1 3.41Å; H452-Y483 VanDerWaalsContact CE1-CE1 3.41Å; H452-Y483 WeakPolarHBondContact CE1-CE1 3.19Å; H452-Y483 AromaticContact CE1-CZ 3.4Å; H452-Y483 VanDerWaalsContact CE1-CZ 3.4Å; H452-Y483 PolarHBondContact CE1-OH 3.32Å; H452-Y483 VanDerWaalsContact CE1-OH 3.32Å; H452-Y483 AromaticContact CG-CE1 3.91Å; H452-Y483 AromaticContact CG-CZ 3.91Å; H452-Y483 AromaticContact ND1-CD1 3.74Å; H452-Y483 AromaticContact ND1-CE1 3.29Å; H452-Y483 VanDerWaalsContact ND1-CE1 3.29Å; H452-Y483 WeakPolarHBondContact ND1-CE1 3.43Å; H452-Y483 AromaticContact ND1-CZ 3.61Å; H452-Y483 AromaticContact NE2-CZ 3.61Å; H452-Y483 PolarHBondContact NE2-OH 2.97Å; V456-Y483 HydrophobicContact CG2-CD2 3.9Å; V456-Y483 HydrophobicContact CG2-CG 4.17Å; W478-Y483 HydrophobicContact CH2-CE2 4.33Å; W478-Y483 AromaticContact CZ3-CE2 3.93Å; W478-Y483 HydrophobicContact CZ3-CE2 3.93Å; C479-Y483 WeakPolarHBondContact O-CB 3.27Å; C479-Y483 PolarHBondContact O-N 3.43Å; Y483-D485 PolarHBondContact O-N 3.16Å; Y483-L486 HydrophobicContact CD1-CD1 4.39Å; Y483-L486 WeakPolarHBondContact O-CA 3.19Å; Y483-L486 WeakPolarHBondContact O-CB 3.37Å; Y483-L486 PolarHBondContact O-N 3.29Å; Y483-L487 PolarHBondContact O-N 3.05Å
484G85.4Confident81.8Confident2 Ų238.2 Ų38.22%0.02119%0.187CC..Hα-helixtrans-55.1-31.7175.600000113.4I480 L486 L487 L488I480-G484 VanDerWaalsContact O-CA 3.26Å; I480-G484 WeakPolarHBondContact O-CA 3.5Å; I480-G484 PolarHBondContact O-N 3.17Å; G484-L486 PolarHBondContact O-N 3.08Å; G484-L487 WeakPolarHBondContact O-CB 3.48Å; G484-L487 PolarHBondContact O-N 3Å; G484-L487 VanDerWaalsContact O-N 3.08Å; G484-L488 WeakPolarHBondContact O-CG 3.48Å; G484-L488 PolarHBondContact O-N 3.47Å; G484-L488 VanDerWaalsContact O-N 3.1Å
485D86.4Confident80.1Confident25 Ų2539.7 Ų39.713%0.13420%0.197CC..Hα-helixtrans-64.3-21.5173.669.5-77.1000113.8Y483 K489 R536 R583Y483-D485 PolarHBondContact O-N 3.16Å; D485-K489 WeakPolarHBondContact O-CD 3.36Å; D485-K489 VanDerWaalsContact O-CE 3.22Å; D485-K489 WeakPolarHBondContact O-CE 3.43Å; D485-K489 VanDerWaalsContact O-CG 3.23Å; D485-K489 WeakPolarHBondContact O-CG 3.46Å; D485-K489 IonicContact OD2-NZ 2.76Å; D485-K489 PolarHBondContact OD2-NZ 3.32Å; D485-R536 HydrophobicContact CB-CB 4.37Å; D485-R536 IonicContact OD1-NH1 3.45Å; D485-R583 IonicContact OD1-CZ 2.94Å; D485-R583 IonicContact OD1-NH2 3.73Å; D485-R583 PolarHBondContact OD1-NH2 3.04Å; D485-R583 IonicContact OD2-NH2 3.3Å; D485-R583 PolarHBondContact OD2-NH2 3.47Å
486L84.9Confident78.4Confident41 Ų4147.8 Ų47.822%0.21524%0.235CC..Hα-helixtrans-90.3-22.1174.2-57.3-179.5000112.4H452 C453 Y483 G484H452-L486 HydrophobicContact CB-CD1 3.71Å; C453-L486 HydrophobicContact CB-CB 4.39Å; Y483-L486 HydrophobicContact CD1-CD1 4.39Å; Y483-L486 WeakPolarHBondContact O-CA 3.19Å; Y483-L486 WeakPolarHBondContact O-CB 3.37Å; Y483-L486 PolarHBondContact O-N 3.29Å; G484-L486 PolarHBondContact O-N 3.08Å
487L83.1Confident76.7Confident1 Ų150 Ų501%0.00525%0.253CS..Hα-helixtrans-71.5-47.5173.1-176.759.6000110.4V456 Y460 Y483 G484 K489 G490 V500 V505V456-L487 HydrophobicContact CG1-CB 3.95Å; V456-L487 HydrophobicContact CG1-CD1 4.29Å; V456-L487 HydrophobicContact CG1-CD2 4.19Å; V456-L487 HydrophobicContact CG1-CG 4.38Å; Y460-L487 HydrophobicContact CD2-CD2 3.76Å; Y460-L487 HydrophobicContact CE2-CD2 4.13Å; Y460-L487 HydrophobicContact CG-CD1 4.39Å; Y460-L487 HydrophobicContact CG-CD2 4.03Å; Y483-L487 PolarHBondContact O-N 3.05Å; G484-L487 WeakPolarHBondContact O-CB 3.48Å; G484-L487 PolarHBondContact O-N 3Å; G484-L487 VanDerWaalsContact O-N 3.08Å; L487-K489 PolarHBondContact O-N 3.22Å; L487-G490 PolarHBondContact O-N 2.93Å; L487-V500 HydrophobicContact CD1-CG2 4.12Å; L487-V500 HydrophobicContact CD2-CG1 4.29Å; L487-V500 HydrophobicContact CG-CB 4.35Å; L487-V500 HydrophobicContact CG-CG1 4.25Å; L487-V500 HydrophobicContact CG-CG2 4.49Å; L487-V505 HydrophobicContact CD2-CG2 3.81Å
488L80.7Confident75.2Confident45 Ų4552.9 Ų52.924%0.23627%0.27CS..Hα-helixtrans-68.9-28.8-176.6-64.3171.2000113.9G484 G490 E502 V505 I537G484-L488 WeakPolarHBondContact O-CG 3.48Å; G484-L488 PolarHBondContact O-N 3.47Å; G484-L488 VanDerWaalsContact O-N 3.1Å; L488-G490 PolarHBondContact O-N 3.44Å; L488-E502 HydrophobicContact CD1-CG 3.83Å; L488-E502 HydrophobicContact CD2-CB 4.38Å; L488-E502 HydrophobicContact CD2-CG 3.69Å; L488-E502 HydrophobicContact CG-CG 4.38Å; L488-V505 HydrophobicContact CD2-CG2 4.39Å; L488-I537 HydrophobicContact CD1-CD1 4.12Å; L488-I537 HydrophobicContact CD1-CG1 3.88Å
489K74.7Confident73.8Confident120 Ų12059.9 Ų59.952%0.52231%0.305SS..THydrogen-bonded Turntrans-67.9-20.3178.8-75.4167.5-168.7156.10113.6D485 L487 E491D485-K489 WeakPolarHBondContact O-CD 3.36Å; D485-K489 VanDerWaalsContact O-CE 3.22Å; D485-K489 WeakPolarHBondContact O-CE 3.43Å; D485-K489 VanDerWaalsContact O-CG 3.23Å; D485-K489 WeakPolarHBondContact O-CG 3.46Å; D485-K489 IonicContact OD2-NZ 2.76Å; D485-K489 PolarHBondContact OD2-NZ 3.32Å; L487-K489 PolarHBondContact O-N 3.22Å; K489-E491 PolarHBondContact O-N 3.45Å
490G64.9Low73.1Confident24 Ų2460.5 Ų60.525%0.24731%0.309CS..  trans64.32.7-179.300000115.7L487 L488 C492 A497L487-G490 PolarHBondContact O-N 2.93Å; L488-G490 PolarHBondContact O-N 3.44Å; G490-C492 VanDerWaalsContact C-N 3.29Å; G490-C492 PolarHBondContact O-N 2.81Å; G490-A497 WeakPolarHBondContact O-CB 3.18Å
491E63Low72.6Confident157 Ų15764.1 Ų64.173%0.73433%0.331SS*.  trans-79.969.8-178.9-67.6-177.7174.400111.5C453 K489C453-E491 PolarHBondContact SG-O 2.61Å; K489-E491 PolarHBondContact O-N 3.45Å
492C61.1Low72.1Confident20 Ų2066.1 Ų66.114%0.13534%0.34CS..  trans-101.1103.8172.2-163.70000110.9G490 E494 A497G490-C492 VanDerWaalsContact C-N 3.29Å; G490-C492 PolarHBondContact O-N 2.81Å; C492-E494 PolarHBondContact O-N 2.87Å; C492-A497 HydrophobicContact CB-CB 4.33Å
493Q55.9Low71.9Confident198 Ų19869.1 Ų69.193%0.92536%0.356SS*.THydrogen-bonded Turntrans-68.6-18.9-178.8-66.2-177.3-2.100114.1
494E55.4Low71.7Confident102 Ų10271.7 Ų71.748%0.47737%0.371SS..THydrogen-bonded Turntrans-122.313.2-168-50.3-167.2109.400115.3R416 C492R416-E494 IonicContact CZ-OE2 3.59Å; R416-E494 IonicContact NH1-OE1 3.22Å; R416-E494 IonicContact NH1-OE2 3.55Å; R416-E494 PolarHBondContact NH1-OE2 3.31Å; C492-E494 PolarHBondContact O-N 2.87Å
495T57Low71.8Confident45 Ų4571.7 Ų71.728%0.27637%0.37SS..SBendtrans-159.4148.8176.1-64.50000109.2Y454 R461 A497Y454-T495 VanDerWaalsContact CE2-OG1 3.28Å; Y454-T495 WeakPolarHBondContact CE2-OG1 3.5Å; R461-T495 VanDerWaalsContact NH1-CG2 3.31Å; T495-A497 PolarHBondContact O-N 2.99Å
496E56.6Low71.9Confident170 Ų17070.6 Ų70.679%0.79436%0.364SS*.  trans-51.6109.6169.1-68.7178171.500110R461 V498R461-E496 PolarHBondContact NH2-O 3.26Å; E496-V498 PolarHBondContact O-N 3.11Å
497A56.4Low72.2Confident46 Ų4672 Ų7238%0.3837%0.372SS..  trans-67.4119.8177.200000109G490 C492 T495G490-A497 WeakPolarHBondContact O-CB 3.18Å; C492-A497 HydrophobicContact CB-CB 4.33Å; T495-A497 PolarHBondContact O-N 2.99Å
498V62.6Low72.4Confident61 Ų6172 Ų7237%0.3737%0.373SS..  trans-72.1130.4162.3-169.10000105.7E496 V500E496-V498 PolarHBondContact O-N 3.11Å; V498-V500 HydrophobicContact CB-CG2 3.95Å; V498-V500 HydrophobicContact CG1-CG2 4.07Å; V498-V500 PolarHBondContact O-N 2.8Å; V498-V500 VanDerWaalsContact O-N 3.08Å
499Q66.5Low72.8Confident186 Ų18670 Ų7087%0.86936%0.362SS*.  trans-70.7104.9162.4-69.5-166.3-1500107.1
500V76.4Confident73.6Confident13 Ų1366.5 Ų66.58%0.07935%0.348CS..  trans-99.2125.1178.2177.80000107.5Y460 L487 V498 D504 V505Y460-V500 HydrophobicContact CD1-CG2 4Å; Y460-V500 HydrophobicContact CE1-CB 4.29Å; Y460-V500 HydrophobicContact CE1-CG1 3.66Å; Y460-V500 HydrophobicContact CE1-CG2 3.57Å; Y460-V500 HydrophobicContact CE2-CG1 4.22Å; Y460-V500 VanDerWaalsContact CZ-CG1 3.47Å; Y460-V500 WeakPolarHBondContact OH-CG1 3.47Å; L487-V500 HydrophobicContact CD1-CG2 4.12Å; L487-V500 HydrophobicContact CD2-CG1 4.29Å; L487-V500 HydrophobicContact CG-CB 4.35Å; L487-V500 HydrophobicContact CG-CG1 4.25Å; L487-V500 HydrophobicContact CG-CG2 4.49Å; V498-V500 HydrophobicContact CB-CG2 3.95Å; V498-V500 HydrophobicContact CG1-CG2 4.07Å; V498-V500 PolarHBondContact O-N 2.8Å; V498-V500 VanDerWaalsContact O-N 3.08Å; V500-D504 HydrophobicContact CG1-CB 4.34Å; V500-V505 HydrophobicContact CG1-CG2 3.5Å; V500-V505 VanDerWaalsContact CG1-CG2 3.5Å
501T81.9Confident74.9Confident76 Ų7669.4 Ų69.447%0.46636%0.357SS..  trans-86.1162174.973.90000111.1D503 D504 V505T501-D503 VanDerWaalsContact C-N 3.29Å; T501-D503 PolarHBondContact O-N 3.42Å; T501-D504 WeakPolarHBondContact CB-OD2 3.26Å; T501-D504 PolarHBondContact N-OD2 2.73Å; T501-D504 PolarHBondContact O-N 3.21Å; T501-D504 PolarHBondContact OG1-N 2.83Å; T501-D504 PolarHBondContact OG1-OD2 2.88Å; T501-V505 PolarHBondContact O-N 3.19Å
502E81.7Confident76.3Confident43 Ų4362 Ų6220%0.20132%0.322CS..Hα-helixtrans-63.2-37.2179.6-57.5-174.6164.100112.1L488 V505 L506 I537 D539L488-E502 HydrophobicContact CD1-CG 3.83Å; L488-E502 HydrophobicContact CD2-CB 4.38Å; L488-E502 HydrophobicContact CD2-CG 3.69Å; L488-E502 HydrophobicContact CG-CG 4.38Å; E502-V505 PolarHBondContact O-N 3.3Å; E502-L506 WeakPolarHBondContact O-CG 3.47Å; E502-L506 PolarHBondContact O-N 3.01Å; E502-L506 VanDerWaalsContact O-N 3.15Å; E502-I537 HydrophobicContact CB-CG2 4.25Å; E502-I537 HydrophobicContact CG-CG2 4.01Å; E502-I537 WeakPolarHBondContact OE1-CG2 3.48Å; E502-I537 WeakPolarHBondContact OE2-CG2 3.33Å; E502-D539 WeakPolarHBondContact OE2-CB 3.49Å
503D84.8Confident77.7Confident65 Ų6561.1 Ų61.135%0.34832%0.316SS..Hα-helixtrans-66.9-38.7176.3-80.9-55.3000112.4T501 V505 L506 D507 N540 R543T501-D503 VanDerWaalsContact C-N 3.29Å; T501-D503 PolarHBondContact O-N 3.42Å; D503-V505 PolarHBondContact O-N 3.39Å; D503-L506 PolarHBondContact O-N 3.44Å; D503-L506 VanDerWaalsContact O-N 3.16Å; D503-D507 WeakPolarHBondContact O-CB 3.25Å; D503-D507 VanDerWaalsContact O-CG 3.28Å; D503-D507 PolarHBondContact O-N 3.29Å; D503-N540 VanDerWaalsContact CG-ND2 3.26Å; D503-N540 PolarHBondContact OD1-ND2 2.99Å; D503-N540 VanDerWaalsContact OD1-ND2 3.11Å; D503-N540 PolarHBondContact OD2-ND2 3.45Å; D503-R543 IonicContact OD1-CZ 3.97Å; D503-R543 IonicContact OD1-NH1 2.66Å; D503-R543 PolarHBondContact OD1-NH1 3.16Å
504D86.3Confident79.4Confident66 Ų6657.9 Ų57.935%0.35330%0.301SS..Hα-helixtrans-59.7-35.8175.9-55.5-55.3000111.8Y460 V500 T501 A508Y460-D504 VanDerWaalsContact OH-C 3.3Å; Y460-D504 WeakPolarHBondContact OH-CB 3.43Å; Y460-D504 PolarHBondContact OH-O 3.33Å; V500-D504 HydrophobicContact CG1-CB 4.34Å; T501-D504 WeakPolarHBondContact CB-OD2 3.26Å; T501-D504 PolarHBondContact N-OD2 2.73Å; T501-D504 PolarHBondContact O-N 3.21Å; T501-D504 PolarHBondContact OG1-N 2.83Å; T501-D504 PolarHBondContact OG1-OD2 2.88Å; D504-A508 WeakPolarHBondContact O-CB 3.47Å; D504-A508 PolarHBondContact O-N 3.02Å
505V87.6Confident81Confident2 Ų254.1 Ų54.11%0.01229%0.286CS..Hα-helixtrans-71.9-39.6178-177.50000111.5Y460 I480 L487 L488 V500 T501 E502 D503 A508 L509 L533Y460-V505 HydrophobicContact CE2-CB 4.47Å; Y460-V505 HydrophobicContact CE2-CG2 3.94Å; I480-V505 HydrophobicContact CG2-CG1 3.56Å; L487-V505 HydrophobicContact CD2-CG2 3.81Å; L488-V505 HydrophobicContact CD2-CG2 4.39Å; V500-V505 HydrophobicContact CG1-CG2 3.5Å; V500-V505 VanDerWaalsContact CG1-CG2 3.5Å; T501-V505 PolarHBondContact O-N 3.19Å; E502-V505 PolarHBondContact O-N 3.3Å; D503-V505 PolarHBondContact O-N 3.39Å; V505-A508 PolarHBondContact O-N 3.14Å; V505-L509 PolarHBondContact O-N 3.1Å; V505-L533 HydrophobicContact CG1-CD1 3.82Å
506L88.6Confident82.5Confident1 Ų159.5 Ų59.51%0.00531%0.307CS..Hα-helixtrans-69-42176.2-66.6-179.8000111.4E502 D503 A508 L509 E510 L533 N540 R543 I544E502-L506 WeakPolarHBondContact O-CG 3.47Å; E502-L506 PolarHBondContact O-N 3.01Å; E502-L506 VanDerWaalsContact O-N 3.15Å; D503-L506 PolarHBondContact O-N 3.44Å; D503-L506 VanDerWaalsContact O-N 3.16Å; L506-A508 VanDerWaalsContact C-N 3.33Å; L506-A508 PolarHBondContact O-N 3.39Å; L506-L509 PolarHBondContact O-N 3.14Å; L506-E510 VanDerWaalsContact O-CB 3.26Å; L506-E510 WeakPolarHBondContact O-CB 3.27Å; L506-E510 PolarHBondContact O-N 3.23Å; L506-L533 HydrophobicContact CD2-CD1 4.12Å; L506-N540 HydrophobicContact CD1-CB 4.21Å; L506-R543 HydrophobicContact CD1-CB 4.5Å; L506-R543 HydrophobicContact CD1-CG 4.41Å; L506-I544 HydrophobicContact CD1-CG1 4.02Å; L506-I544 HydrophobicContact CD2-CD1 3.99Å; L506-I544 HydrophobicContact CD2-CG1 3.62Å
507D89.9Confident84Confident70 Ų7056.1 Ų56.137%0.37429%0.293SS..Hα-helixtrans-55.8-46.7172.4-74.911.7000110.8D503 L509 E510 I511 R543D503-D507 WeakPolarHBondContact O-CB 3.25Å; D503-D507 VanDerWaalsContact O-CG 3.28Å; D503-D507 PolarHBondContact O-N 3.29Å; D507-L509 PolarHBondContact O-N 3.04Å; D507-E510 PolarHBondContact O-N 2.98Å; D507-I511 WeakPolarHBondContact O-CD1 3.43Å; D507-I511 WeakPolarHBondContact O-CG1 3.25Å; D507-I511 PolarHBondContact O-N 3.41Å; D507-R543 IonicContact OD1-CZ 2.82Å; D507-R543 IonicContact OD1-NH1 3.8Å; D507-R543 PolarHBondContact OD1-NH1 3.29Å; D507-R543 IonicContact OD1-NH2 3.07Å; D507-R543 PolarHBondContact OD1-NH2 3.4Å
508A88Confident85.6Confident3 Ų354.1 Ų54.13%0.02528%0.276CS..Hα-helixtrans-59.4-45.2178.300000112.9Y460 L463 F464 D504 V505 L506 V512Y460-A508 HydrophobicContact CE2-CB 4.28Å; L463-A508 HydrophobicContact CD2-CB 4.22Å; F464-A508 HydrophobicContact CE1-CB 4.5Å; F464-A508 HydrophobicContact CE2-CB 4.03Å; F464-A508 HydrophobicContact CZ-CB 3.72Å; D504-A508 WeakPolarHBondContact O-CB 3.47Å; D504-A508 PolarHBondContact O-N 3.02Å; V505-A508 PolarHBondContact O-N 3.14Å; L506-A508 VanDerWaalsContact C-N 3.33Å; L506-A508 PolarHBondContact O-N 3.39Å; A508-V512 WeakPolarHBondContact O-CG2 3.24Å; A508-V512 PolarHBondContact O-N 3.03Å
509L90.4Very high87Confident1 Ų153.5 Ų53.51%0.00527%0.273CS..Hα-helixtrans-70.8-35.4177.5-68.5178.6000112.3C477 I480 V505 L506 D507 V512 L513 A526 A529 L533C477-L509 HydrophobicContact CB-CD2 4.29Å; I480-L509 HydrophobicContact CG2-CD1 4.17Å; V505-L509 PolarHBondContact O-N 3.1Å; L506-L509 PolarHBondContact O-N 3.14Å; D507-L509 PolarHBondContact O-N 3.04Å; L509-V512 PolarHBondContact O-N 3.19Å; L509-L513 WeakPolarHBondContact O-CB 3.22Å; L509-L513 WeakPolarHBondContact O-CG 3.43Å; L509-L513 PolarHBondContact O-N 2.94Å; L509-A526 HydrophobicContact CD2-CB 4.45Å; L509-A529 HydrophobicContact CD1-CB 4.22Å; L509-A529 HydrophobicContact CD2-CB 4.36Å; L509-L533 HydrophobicContact CD1-CD1 3.55Å
510E91.1Very high88.2Confident48 Ų4847.6 Ų47.622%0.22425%0.25CS..Hα-helixtrans-65.5-41.3176.4-174.5162.7-16900111.4L506 D507 V512 L513 Q514 R543L506-E510 VanDerWaalsContact O-CB 3.26Å; L506-E510 WeakPolarHBondContact O-CB 3.27Å; L506-E510 PolarHBondContact O-N 3.23Å; D507-E510 PolarHBondContact O-N 2.98Å; E510-V512 PolarHBondContact O-N 3.26Å; E510-L513 PolarHBondContact O-N 3.32Å; E510-Q514 HydrophobicContact CG-CG 4.38Å; E510-Q514 VanDerWaalsContact CG-NE2 3.31Å; E510-Q514 WeakPolarHBondContact O-CB 3.49Å; E510-Q514 WeakPolarHBondContact O-CG 3.36Å; E510-Q514 PolarHBondContact O-N 2.89Å; E510-Q514 PolarHBondContact OE1-NE2 3.13Å; E510-R543 IonicContact OE2-CZ 2.64Å; E510-R543 IonicContact OE2-NE 3.69Å; E510-R543 IonicContact OE2-NH2 3.96Å; E510-R543 PolarHBondContact OE2-NH2 3.35Å
511I91.6Very high89Confident85 Ų8551.1 Ų51.144%0.43627%0.272SS..Hα-helixtrans-60.4-44171.9-65.5161.1000110.8I467 D507 L513 S515I467-I511 HydrophobicContact CD1-CB 4.47Å; I467-I511 HydrophobicContact CD1-CG2 3.47Å; I467-I511 VanDerWaalsContact CD1-CG2 3.47Å; D507-I511 WeakPolarHBondContact O-CD1 3.43Å; D507-I511 WeakPolarHBondContact O-CG1 3.25Å; D507-I511 PolarHBondContact O-N 3.41Å; I511-L513 PolarHBondContact O-N 3.42Å; I511-S515 WeakPolarHBondContact O-CB 3.31Å; I511-S515 PolarHBondContact O-N 3.49Å
512V91.8Very high89.5Confident0 Ų047.5 Ų47.50%025%0.25CC..Hα-helixtrans-63.1-41.4176.5172.50000111.7L463 I467 V473 A508 L509 E510 S518 T522 A526L463-V512 HydrophobicContact CD1-CG2 3.82Å; L463-V512 HydrophobicContact CD2-CG2 4.33Å; L463-V512 HydrophobicContact CG-CG2 4.46Å; I467-V512 HydrophobicContact CG2-CG2 4.19Å; V473-V512 HydrophobicContact CG1-CB 4.4Å; V473-V512 HydrophobicContact CG1-CG1 3.59Å; V473-V512 HydrophobicContact CG1-CG2 3.79Å; A508-V512 WeakPolarHBondContact O-CG2 3.24Å; A508-V512 PolarHBondContact O-N 3.03Å; L509-V512 PolarHBondContact O-N 3.19Å; E510-V512 PolarHBondContact O-N 3.26Å; V512-S518 VanDerWaalsContact O-CB 3.25Å; V512-S518 WeakPolarHBondContact O-CB 3.49Å; V512-S518 PolarHBondContact O-OG 2.9Å; V512-T522 HydrophobicContact CG1-CG2 3.97Å; V512-A526 HydrophobicContact CB-CB 4.44Å; V512-A526 HydrophobicContact CG1-CB 3.88Å
513L91.3Very high90.1Very high2 Ų247.9 Ų47.91%0.0125%0.249CC..Hα-helixtrans-64.7-48.7178.8-78.7169000111.8L509 E510 I511 R523 A526 L527 I547 Y551L509-L513 WeakPolarHBondContact O-CB 3.22Å; L509-L513 WeakPolarHBondContact O-CG 3.43Å; L509-L513 PolarHBondContact O-N 2.94Å; E510-L513 PolarHBondContact O-N 3.32Å; I511-L513 PolarHBondContact O-N 3.42Å; L513-R523 HydrophobicContact CD2-CB 4.21Å; L513-R523 WeakPolarHBondContact CD2-O 3.44Å; L513-R523 WeakPolarHBondContact O-CD 3.34Å; L513-R523 PolarHBondContact O-NE 2.67Å; L513-A526 HydrophobicContact CD2-CB 3.85Å; L513-A526 HydrophobicContact CG-CB 3.85Å; L513-L527 HydrophobicContact CD2-CB 4.2Å; L513-I547 HydrophobicContact CD1-CG2 3.86Å; L513-Y551 VanDerWaalsContact C-OH 3.26Å; L513-Y551 HydrophobicContact CB-CE2 4.19Å; L513-Y551 WeakPolarHBondContact CB-OH 3.26Å; L513-Y551 HydrophobicContact CD1-CE2 4.38Å; L513-Y551 HydrophobicContact CD2-CE1 4.37Å; L513-Y551 HydrophobicContact CD2-CE2 4.36Å; L513-Y551 PolarHBondContact O-OH 2.91Å; L513-Y551 VanDerWaalsContact O-OH 3.07Å
514Q90.6Very high90.5Very high131 Ų13144.8 Ų44.861%0.61223%0.233SC*.Hα-helixtrans-76.7-25-177.9-64.3-178.513.400113.8E510 H516E510-Q514 HydrophobicContact CG-CG 4.38Å; E510-Q514 VanDerWaalsContact CG-NE2 3.31Å; E510-Q514 WeakPolarHBondContact O-CB 3.49Å; E510-Q514 WeakPolarHBondContact O-CG 3.36Å; E510-Q514 PolarHBondContact O-N 2.89Å; E510-Q514 PolarHBondContact OE1-NE2 3.13Å; Q514-H516 PolarHBondContact O-N 3.33Å
515S90.8Very high90.9Very high23 Ų2344.7 Ų44.716%0.16123%0.229CC..  trans-60.2133.8-177.5177.50000112.4I511 M517 S518 R523I511-S515 WeakPolarHBondContact O-CB 3.31Å; I511-S515 PolarHBondContact O-N 3.49Å; S515-M517 VanDerWaalsContact C-N 3.25Å; S515-M517 PolarHBondContact O-N 2.66Å; S515-M517 PolarHBondContact OG-N 3.38Å; S515-S518 PolarHBondContact O-N 3.42Å; S515-R523 PolarHBondContact O-NH2 3.24Å
516H88.6Confident91.3Very high158 Ų15844.6 Ų44.673%0.73123%0.229SC*.THydrogen-bonded Turntrans-73-16.2175.662.2-79.7000113.1Q514 S518Q514-H516 PolarHBondContact O-N 3.33Å; H516-S518 VanDerWaalsContact C-N 3.35Å
517M86.9Confident91.6Very high99 Ų9944.5 Ų44.549%0.48823%0.228SC..THydrogen-bonded Turntrans-75.7-23174.1-66.6-739800112.8Q470 S515Q470-M517 PolarHBondContact NE2-O 2.95Å; Q470-M517 VanDerWaalsContact NE2-O 3.15Å; S515-M517 VanDerWaalsContact C-N 3.25Å; S515-M517 PolarHBondContact O-N 2.66Å; S515-M517 PolarHBondContact OG-N 3.38Å
518S91.3Very high91.8Very high4 Ų442.5 Ų42.53%0.02822%0.218CC..SBendtrans-71128.4-178.2-57.80000112V512 S515 H516 R523V512-S518 VanDerWaalsContact O-CB 3.25Å; V512-S518 WeakPolarHBondContact O-CB 3.49Å; V512-S518 PolarHBondContact O-OG 2.9Å; S515-S518 PolarHBondContact O-N 3.42Å; H516-S518 VanDerWaalsContact C-N 3.35Å; S518-R523 PolarHBondContact O-NH1 2.86Å; S518-R523 VanDerWaalsContact O-NH1 3.08Å; S518-R523 PolarHBondContact O-NH2 3.11Å
519T91.3Very high92.1Very high48 Ų4842.4 Ų42.429%0.29422%0.218SC..  trans-69.3159.4170.161.70000110.8Q470 T521 T522 R523Q470-T519 HydrophobicContact CG-CG2 3.96Å; T519-T521 PolarHBondContact O-N 2.83Å; T519-T521 PolarHBondContact OG1-OG1 3.4Å; T519-T522 PolarHBondContact O-N 3Å; T519-T522 VanDerWaalsContact O-N 3.12Å; T519-T522 PolarHBondContact OG1-N 3.1Å; T519-T522 PolarHBondContact OG1-OG1 3.28Å; T519-R523 PolarHBondContact O-N 3.34Å
520P91.9Very high92.2Very high62 Ų6242.4 Ų42.440%0.40322%0.218SC..Hα-helixtrans-55.3-39.1173.5-26.235.4000113T522 R523 G524 D556P520-T522 PolarHBondContact O-N 3.14Å; P520-R523 PolarHBondContact O-N 3.43Å; P520-G524 PolarHBondContact O-N 3.41Å; P520-D556 WeakPolarHBondContact CB-OD2 3.45Å
521T92.3Very high92.3Very high87 Ų8740.1 Ų40.153%0.53421%0.207SC..Hα-helixtrans-60.2-46.3174.548.50000112.3T519 R523 G524 F525T519-T521 PolarHBondContact O-N 2.83Å; T519-T521 PolarHBondContact OG1-OG1 3.4Å; T521-R523 PolarHBondContact O-N 3.45Å; T521-G524 WeakPolarHBondContact O-CA 3.47Å; T521-G524 PolarHBondContact O-N 3.26Å; T521-G524 VanDerWaalsContact O-N 3.13Å; T521-F525 VanDerWaalsContact O-CD2 3.3Å; T521-F525 WeakPolarHBondContact O-CD2 3.27Å; T521-F525 PolarHBondContact O-N 3.22Å
522T92.9Very high92.4Very high0 Ų037 Ų370%019%0.19CC..Hα-helixtrans-62.5-41175.8-55.70000111.8Q470 V473 Q474 V512 T519 P520 G524 F525 A526Q470-T522 PolarHBondContact OE1-OG1 3.37Å; V473-T522 HydrophobicContact CB-CG2 3.9Å; V473-T522 HydrophobicContact CG1-CG2 3.4Å; Q474-T522 HydrophobicContact CG-CG2 4.18Å; Q474-T522 WeakPolarHBondContact CG-OG1 3.37Å; Q474-T522 PolarHBondContact NE2-OG1 3.37Å; V512-T522 HydrophobicContact CG1-CG2 3.97Å; T519-T522 PolarHBondContact O-N 3Å; T519-T522 VanDerWaalsContact O-N 3.12Å; T519-T522 PolarHBondContact OG1-N 3.1Å; T519-T522 PolarHBondContact OG1-OG1 3.28Å; P520-T522 PolarHBondContact O-N 3.14Å; T522-G524 VanDerWaalsContact C-N 3.3Å; T522-G524 PolarHBondContact O-N 3.12Å; T522-F525 PolarHBondContact O-N 3.19Å; T522-A526 PolarHBondContact O-N 3.47Å
523R93.8Very high92.3Very high51 Ų5137 Ų3719%0.19219%0.19CC..Hα-helixtrans-62.3-36.9172.5-67.3-167.7-172.892.811.4112.1L513 S515 S518 T519 P520 T521 A526 L527 L559L513-R523 HydrophobicContact CD2-CB 4.21Å; L513-R523 WeakPolarHBondContact CD2-O 3.44Å; L513-R523 WeakPolarHBondContact O-CD 3.34Å; L513-R523 PolarHBondContact O-NE 2.67Å; S515-R523 PolarHBondContact O-NH2 3.24Å; S518-R523 PolarHBondContact O-NH1 2.86Å; S518-R523 VanDerWaalsContact O-NH1 3.08Å; S518-R523 PolarHBondContact O-NH2 3.11Å; T519-R523 PolarHBondContact O-N 3.34Å; P520-R523 PolarHBondContact O-N 3.43Å; T521-R523 PolarHBondContact O-N 3.45Å; R523-A526 PolarHBondContact O-N 3.03Å; R523-L527 WeakPolarHBondContact O-CB 3.29Å; R523-L527 PolarHBondContact O-N 3Å; R523-L559 HydrophobicContact CB-CD1 3.76Å; R523-L559 HydrophobicContact CB-CD2 3.96Å
524G94.4Very high92.2Very high0 Ų037 Ų370%019%0.191CC..Hα-helixtrans-61.7-47174.100000111.8P520 T521 T522 A526 L527 T528 L559 R562P520-G524 PolarHBondContact O-N 3.41Å; T521-G524 WeakPolarHBondContact O-CA 3.47Å; T521-G524 PolarHBondContact O-N 3.26Å; T521-G524 VanDerWaalsContact O-N 3.13Å; T522-G524 VanDerWaalsContact C-N 3.3Å; T522-G524 PolarHBondContact O-N 3.12Å; G524-A526 PolarHBondContact O-N 3.29Å; G524-L527 PolarHBondContact O-N 2.95Å; G524-T528 WeakPolarHBondContact O-CB 3.36Å; G524-T528 PolarHBondContact O-N 3.15Å; G524-T528 PolarHBondContact O-OG1 3.48Å; G524-L559 VanDerWaalsContact N-CD2 3.35Å; G524-R562 PolarHBondContact O-NH1 3.47Å
525F94.7Very high92Very high63 Ų6332.8 Ų32.828%0.27617%0.174SC..Hα-helixtrans-57.5-45.8172.7-83.6-78.7000112.1I442 Q474 C477 W478 T521 T522 A529I442-F525 HydrophobicContact CD1-CE1 4.44Å; Q474-F525 HydrophobicContact CB-CD2 4.02Å; Q474-F525 HydrophobicContact CB-CE2 4.24Å; Q474-F525 HydrophobicContact CB-CG 4.4Å; Q474-F525 HydrophobicContact CG-CD2 3.81Å; Q474-F525 HydrophobicContact CG-CE2 4.19Å; C477-F525 HydrophobicContact CB-CB 4.16Å; W478-F525 HydrophobicContact CB-CD1 4.03Å; W478-F525 HydrophobicContact CB-CE1 4.27Å; W478-F525 HydrophobicContact CG-CE1 4.48Å; T521-F525 VanDerWaalsContact O-CD2 3.3Å; T521-F525 WeakPolarHBondContact O-CD2 3.27Å; T521-F525 PolarHBondContact O-N 3.22Å; T522-F525 PolarHBondContact O-N 3.19Å; F525-A529 VanDerWaalsContact O-CB 3.29Å; F525-A529 WeakPolarHBondContact O-CB 3.46Å; F525-A529 PolarHBondContact O-N 2.85Å
526A94.9Very high91.8Very high0 Ų033.7 Ų33.70%017%0.174CC..Hα-helixtrans-65.2-41.2178.500000113L509 V512 L513 T522 R523 G524 A529 T530L509-A526 HydrophobicContact CD2-CB 4.45Å; V512-A526 HydrophobicContact CB-CB 4.44Å; V512-A526 HydrophobicContact CG1-CB 3.88Å; L513-A526 HydrophobicContact CD2-CB 3.85Å; L513-A526 HydrophobicContact CG-CB 3.85Å; T522-A526 PolarHBondContact O-N 3.47Å; R523-A526 PolarHBondContact O-N 3.03Å; G524-A526 PolarHBondContact O-N 3.29Å; A526-A529 PolarHBondContact O-N 3.04Å; A526-T530 WeakPolarHBondContact O-CB 3.49Å; A526-T530 PolarHBondContact O-N 3.43Å; A526-T530 PolarHBondContact O-OG1 2.87Å
527L94.7Very high91.4Very high0 Ų026.4 Ų26.40%014%0.141CC..Hα-helixtrans-66.6-41.7178.3-175.463.7000111.6L513 R523 G524 T530 M531 V548 R562 A563 Y566L513-L527 HydrophobicContact CD2-CB 4.2Å; R523-L527 WeakPolarHBondContact O-CB 3.29Å; R523-L527 PolarHBondContact O-N 3Å; G524-L527 PolarHBondContact O-N 2.95Å; L527-T530 PolarHBondContact O-N 2.91Å; L527-M531 PolarHBondContact O-N 3.27Å; L527-V548 HydrophobicContact CD1-CG2 4.05Å; L527-R562 HydrophobicContact CD2-CB 3.83Å; L527-A563 HydrophobicContact CD2-CB 4.22Å; L527-Y566 HydrophobicContact CG-CD2 4.31Å; L527-Y566 HydrophobicContact CG-CE2 4.19Å
528T95.1Very high90.8Very high27 Ų2727.4 Ų27.417%0.16615%0.152CC..Hα-helixtrans-68.5-35.6173.6-61.40000112.2G524 M531 K532 R562 Y566G524-T528 WeakPolarHBondContact O-CB 3.36Å; G524-T528 PolarHBondContact O-N 3.15Å; G524-T528 PolarHBondContact O-OG1 3.48Å; T528-M531 PolarHBondContact O-N 3.24Å; T528-K532 WeakPolarHBondContact O-CG 3.27Å; T528-K532 PolarHBondContact O-N 3.36Å; T528-R562 PolarHBondContact OG1-NH1 2.88Å; T528-Y566 PolarHBondContact OG1-OH 2.86Å
529A94.4Very high89.8Confident2 Ų232.2 Ų32.22%0.01718%0.177CC..Hα-helixtrans-63.2-47.6173.100000111.4C477 L509 F525 A526 M531 K532 L533C477-A529 HydrophobicContact CB-CB 4.42Å; C477-A529 WeakPolarHBondContact O-CB 3.38Å; L509-A529 HydrophobicContact CD1-CB 4.22Å; L509-A529 HydrophobicContact CD2-CB 4.36Å; F525-A529 VanDerWaalsContact O-CB 3.29Å; F525-A529 WeakPolarHBondContact O-CB 3.46Å; F525-A529 PolarHBondContact O-N 2.85Å; A526-A529 PolarHBondContact O-N 3.04Å; A529-M531 VanDerWaalsContact C-N 3.27Å; A529-M531 PolarHBondContact O-N 2.91Å; A529-K532 PolarHBondContact O-N 3.04Å; A529-K532 VanDerWaalsContact O-N 3.09Å; A529-L533 WeakPolarHBondContact O-CG 3.3Å; A529-L533 PolarHBondContact O-N 2.96Å
530T92.7Very high89.2Confident1 Ų133 Ų331%0.00618%0.18CC..Hα-helixtrans-55.8-41.8174.4-580000111.3A526 L527 L533 S534 I544 I547 V548A526-T530 WeakPolarHBondContact O-CB 3.49Å; A526-T530 PolarHBondContact O-N 3.43Å; A526-T530 PolarHBondContact O-OG1 2.87Å; L527-T530 PolarHBondContact O-N 2.91Å; T530-L533 PolarHBondContact O-N 3.27Å; T530-S534 PolarHBondContact O-N 3.27Å; T530-I544 HydrophobicContact CG2-CG2 3.85Å; T530-I544 WeakPolarHBondContact O-CG2 3.39Å; T530-I547 HydrophobicContact CG2-CG2 4.39Å; T530-V548 HydrophobicContact CG2-CG2 4.27Å
531M93.1Very high88.8Confident0 Ų031.3 Ų31.30%017%0.168CC..Hα-helixtrans-65.8-42.6174.7-174.954.8169.700112.8L527 T528 A529 S534 Y566 L569 F570 R577 L581L527-M531 PolarHBondContact O-N 3.27Å; T528-M531 PolarHBondContact O-N 3.24Å; A529-M531 VanDerWaalsContact C-N 3.27Å; A529-M531 PolarHBondContact O-N 2.91Å; M531-S534 VanDerWaalsContact O-CB 3.26Å; M531-S534 WeakPolarHBondContact O-CB 3.37Å; M531-S534 PolarHBondContact O-N 3.27Å; M531-S534 PolarHBondContact O-OG 2.92Å; M531-Y566 HydrophobicContact CB-CD2 3.6Å; M531-Y566 HydrophobicContact CB-CE2 3.65Å; M531-Y566 HydrophobicContact CB-CG 4.08Å; M531-Y566 HydrophobicContact CE-CD1 4.18Å; M531-Y566 HydrophobicContact CE-CG 4.14Å; M531-Y566 HydrophobicContact CG-CD1 3.83Å; M531-Y566 HydrophobicContact CG-CD2 3.73Å; M531-Y566 HydrophobicContact CG-CE1 4.11Å; M531-Y566 HydrophobicContact CG-CE2 4Å; M531-Y566 HydrophobicContact CG-CG 3.64Å; M531-Y566 HydrophobicContact SD-CD1 4.47Å; M531-Y566 HydrophobicContact SD-CD2 4.38Å; M531-Y566 HydrophobicContact SD-CG 4Å; M531-L569 HydrophobicContact CE-CB 3.82Å; M531-L569 HydrophobicContact CE-CD1 3.67Å; M531-L569 HydrophobicContact CE-CG 4.4Å; M531-F570 HydrophobicContact CE-CD2 4.42Å; M531-F570 HydrophobicContact CE-CE2 4.09Å; M531-F570 HydrophobicContact CE-CZ 4.35Å; M531-F570 HydrophobicContact SD-CD2 4.25Å; M531-F570 HydrophobicContact SD-CE2 3.39Å; M531-F570 WeakPolarHBondContact SD-CE2 3.46Å; M531-F570 HydrophobicContact SD-CZ 3.55Å; M531-F570 VanDerWaalsContact SD-CZ 3.55Å; M531-R577 HydrophobicContact CE-CG 4.31Å; M531-L581 HydrophobicContact CE-CD1 4.11Å; M531-L581 HydrophobicContact CG-CD1 3.95Å; M531-L581 HydrophobicContact CG-CD2 4.22Å; M531-L581 WeakPolarHBondContact O-CD1 3.46Å; M531-L581 HydrophobicContact SD-CD1 4.3Å
532K92.2Very high88.4Confident18 Ų1832 Ų328%0.07817%0.169CC..Hα-helixtrans-64.6-38.5175.6-72.1179.4-179-175.60112.5G481 E482 T528 A529 S534 T535 R536 L581G481-K532 VanDerWaalsContact O-CB 3.29Å; G481-K532 WeakPolarHBondContact O-CB 2.94Å; E482-K532 IonicContact OE1-NZ 2.7Å; E482-K532 PolarHBondContact OE1-NZ 3.33Å; T528-K532 WeakPolarHBondContact O-CG 3.27Å; T528-K532 PolarHBondContact O-N 3.36Å; A529-K532 PolarHBondContact O-N 3.04Å; A529-K532 VanDerWaalsContact O-N 3.09Å; K532-S534 PolarHBondContact O-N 3.28Å; K532-S534 VanDerWaalsContact O-N 3.15Å; K532-T535 PolarHBondContact O-N 3.18Å; K532-T535 VanDerWaalsContact O-N 3.1Å; K532-T535 PolarHBondContact O-OG1 3.3Å; K532-T535 VanDerWaalsContact O-OG1 3.07Å; K532-R536 PolarHBondContact O-N 3.43Å; K532-L581 HydrophobicContact CG-CD2 4.11Å
533L90.1Very high88.2Confident0 Ų035.2 Ų35.20%018%0.181CC..Hα-helixtrans-57.3-29.7174.7-70.7-177.2000112.2I480 V505 L506 L509 A529 T530 T535 R536 I537 I544I480-L533 HydrophobicContact CG2-CD1 4.16Å; I480-L533 HydrophobicContact CG2-CD2 4.38Å; I480-L533 WeakPolarHBondContact O-CD2 3.44Å; V505-L533 HydrophobicContact CG1-CD1 3.82Å; L506-L533 HydrophobicContact CD2-CD1 4.12Å; L509-L533 HydrophobicContact CD1-CD1 3.55Å; A529-L533 WeakPolarHBondContact O-CG 3.3Å; A529-L533 PolarHBondContact O-N 2.96Å; T530-L533 PolarHBondContact O-N 3.27Å; L533-T535 PolarHBondContact O-N 3.49Å; L533-R536 PolarHBondContact O-N 2.95Å; L533-I537 HydrophobicContact CB-CD1 3.96Å; L533-I537 HydrophobicContact CB-CG1 4.17Å; L533-I537 HydrophobicContact CD1-CD1 4.14Å; L533-I537 HydrophobicContact CD2-CD1 4.06Å; L533-I537 HydrophobicContact CD2-CG1 4.23Å; L533-I537 HydrophobicContact CG-CD1 4.27Å; L533-I537 WeakPolarHBondContact O-CB 3.42Å; L533-I537 WeakPolarHBondContact O-CG1 3.25Å; L533-I537 PolarHBondContact O-N 3.47Å; L533-I544 HydrophobicContact CB-CD1 4.19Å
534S89.3Confident88Confident4 Ų432.8 Ų32.83%0.02817%0.172CC..Hα-helixtrans-60.8-13.8177.284.10000115.5T530 M531 K532 R577T530-S534 PolarHBondContact O-N 3.27Å; M531-S534 VanDerWaalsContact O-CB 3.26Å; M531-S534 WeakPolarHBondContact O-CB 3.37Å; M531-S534 PolarHBondContact O-N 3.27Å; M531-S534 PolarHBondContact O-OG 2.92Å; K532-S534 PolarHBondContact O-N 3.28Å; K532-S534 VanDerWaalsContact O-N 3.15Å; S534-R577 VanDerWaalsContact CB-NH1 3.28Å; S534-R577 PolarHBondContact O-NH1 2.89Å; S534-R577 PolarHBondContact OG-NH1 3.25Å
535T87.3Confident87.7Confident41 Ų4136.7 Ų36.725%0.25219%0.187SC..Hα-helixtrans-113-8.6173.760.80000113.7K532 L533 R577 L581K532-T535 PolarHBondContact O-N 3.18Å; K532-T535 VanDerWaalsContact O-N 3.1Å; K532-T535 PolarHBondContact O-OG1 3.3Å; K532-T535 VanDerWaalsContact O-OG1 3.07Å; L533-T535 PolarHBondContact O-N 3.49Å; T535-R577 HydrophobicContact CG2-CB 3.81Å; T535-L581 HydrophobicContact CG2-CB 4.07Å; T535-L581 HydrophobicContact CG2-CD1 3.75Å
536R85.1Confident87.5Confident42 Ų4237 Ų3716%0.15820%0.197CC..Hα-helixtrans-104.3-21.5-180-55.4-52.2179.869.816.2113.1E482 D485 K532 L533 L581 R583E482-R536 PolarHBondContact O-NH1 3.16Å; E482-R536 IonicContact OE2-NH2 3.01Å; E482-R536 PolarHBondContact OE2-NH2 3.25Å; D485-R536 HydrophobicContact CB-CB 4.37Å; D485-R536 IonicContact OD1-NH1 3.45Å; K532-R536 PolarHBondContact O-N 3.43Å; L533-R536 PolarHBondContact O-N 2.95Å; R536-L581 PolarHBondContact NH2-O 2.95Å; R536-R583 VanDerWaalsContact NH2-CG 3.31Å
537I81.5Confident87.3Confident6 Ų637.6 Ų37.63%0.03120%0.2CC..  trans-104.8136.1174.2-54.8-168.7000107.9L488 E502 L533 D539L488-I537 HydrophobicContact CD1-CD1 4.12Å; L488-I537 HydrophobicContact CD1-CG1 3.88Å; E502-I537 HydrophobicContact CB-CG2 4.25Å; E502-I537 HydrophobicContact CG-CG2 4.01Å; E502-I537 WeakPolarHBondContact OE1-CG2 3.48Å; E502-I537 WeakPolarHBondContact OE2-CG2 3.33Å; L533-I537 HydrophobicContact CB-CD1 3.96Å; L533-I537 HydrophobicContact CB-CG1 4.17Å; L533-I537 HydrophobicContact CD1-CD1 4.14Å; L533-I537 HydrophobicContact CD2-CD1 4.06Å; L533-I537 HydrophobicContact CD2-CG1 4.23Å; L533-I537 HydrophobicContact CG-CD1 4.27Å; L533-I537 WeakPolarHBondContact O-CB 3.42Å; L533-I537 WeakPolarHBondContact O-CG1 3.25Å; L533-I537 PolarHBondContact O-N 3.47Å; I537-D539 WeakPolarHBondContact CG2-O 3.35Å
538T72.9Confident87.2Confident120 Ų12037.6 Ų37.674%0.73620%0.2SC*.SBendtrans-90.3-34.8178.5430000113.1
539D71.9Confident87Confident104 Ų10439.2 Ų39.256%0.55621%0.212SC*.SBendtrans-95.9173.5179.6-57.3-39.5000111.1E502 I537 V541E502-D539 WeakPolarHBondContact OE2-CB 3.49Å; I537-D539 WeakPolarHBondContact CG2-O 3.35Å; D539-V541 PolarHBondContact O-N 3.48Å
540N77.8Confident86.9Confident65 Ų6544.7 Ų44.735%0.34824%0.24SC..  trans54.117.1176.4-69.6-14.1000118.4D503 L506 D542 R543 I544D503-N540 VanDerWaalsContact CG-ND2 3.26Å; D503-N540 PolarHBondContact OD1-ND2 2.99Å; D503-N540 VanDerWaalsContact OD1-ND2 3.11Å; D503-N540 PolarHBondContact OD2-ND2 3.45Å; L506-N540 HydrophobicContact CD1-CB 4.21Å; N540-D542 PolarHBondContact O-N 3.19Å; N540-D542 VanDerWaalsContact O-N 3.17Å; N540-R543 WeakPolarHBondContact O-CB 3.34Å; N540-R543 PolarHBondContact O-N 3.37Å; N540-I544 PolarHBondContact O-N 3.01Å
541V82.9Confident86.8Confident26 Ų2646.4 Ų46.416%0.15825%0.247CC..Hα-helixtrans-58.1-31.1177.9-177.30000113.3D539 R543 I544 R545 F570D539-V541 PolarHBondContact O-N 3.48Å; V541-R543 VanDerWaalsContact C-N 3.34Å; V541-R543 PolarHBondContact O-N 3.02Å; V541-I544 WeakPolarHBondContact O-CB 3.46Å; V541-I544 PolarHBondContact O-N 3.15Å; V541-R545 PolarHBondContact O-N 3.26Å; V541-F570 HydrophobicContact CG1-CE1 4.07Å
542D85.1Confident86.7Confident103 Ų10347.3 Ų47.355%0.55126%0.256SS*.Hα-helixtrans-68.2-29.4175.2-77.9-53.3000113.6N540 R545 S546N540-D542 PolarHBondContact O-N 3.19Å; N540-D542 VanDerWaalsContact O-N 3.17Å; D542-R545 IonicContact OD1-CZ 3.47Å; D542-R545 IonicContact OD1-NH1 2.63Å; D542-R545 PolarHBondContact OD1-NH1 3.25Å; D542-S546 WeakPolarHBondContact O-CB 3.34Å; D542-S546 PolarHBondContact O-N 2.76Å; D542-S546 PolarHBondContact O-OG 3Å
543R88.6Confident86.7Confident66 Ų6651.2 Ų51.225%0.24929%0.286CS..Hα-helixtrans-66.8-46.7171.6-175.4179.5173.2-168.9-4.2110.1D503 L506 D507 E510 N540 V541 R545 S546 I547D503-R543 IonicContact OD1-CZ 3.97Å; D503-R543 IonicContact OD1-NH1 2.66Å; D503-R543 PolarHBondContact OD1-NH1 3.16Å; L506-R543 HydrophobicContact CD1-CB 4.5Å; L506-R543 HydrophobicContact CD1-CG 4.41Å; D507-R543 IonicContact OD1-CZ 2.82Å; D507-R543 IonicContact OD1-NH1 3.8Å; D507-R543 PolarHBondContact OD1-NH1 3.29Å; D507-R543 IonicContact OD1-NH2 3.07Å; D507-R543 PolarHBondContact OD1-NH2 3.4Å; E510-R543 IonicContact OE2-CZ 2.64Å; E510-R543 IonicContact OE2-NE 3.69Å; E510-R543 IonicContact OE2-NH2 3.96Å; E510-R543 PolarHBondContact OE2-NH2 3.35Å; N540-R543 WeakPolarHBondContact O-CB 3.34Å; N540-R543 PolarHBondContact O-N 3.37Å; V541-R543 VanDerWaalsContact C-N 3.34Å; V541-R543 PolarHBondContact O-N 3.02Å; R543-R545 PolarHBondContact O-N 3.19Å; R543-S546 WeakPolarHBondContact O-CB 3.2Å; R543-S546 PolarHBondContact O-N 3.33Å; R543-S546 VanDerWaalsContact O-N 3.1Å; R543-I547 HydrophobicContact CG-CD1 4.38Å; R543-I547 WeakPolarHBondContact O-CG1 3.23Å; R543-I547 PolarHBondContact O-N 2.89Å
544I89Confident86.8Confident0 Ų052.9 Ų52.90%030%0.297CS..Hα-helixtrans-56.5-48.2174.7-67.2172.3000111L506 T530 L533 N540 V541 S546 I547 V548 F570L506-I544 HydrophobicContact CD1-CG1 4.02Å; L506-I544 HydrophobicContact CD2-CD1 3.99Å; L506-I544 HydrophobicContact CD2-CG1 3.62Å; T530-I544 HydrophobicContact CG2-CG2 3.85Å; T530-I544 WeakPolarHBondContact O-CG2 3.39Å; L533-I544 HydrophobicContact CB-CD1 4.19Å; N540-I544 PolarHBondContact O-N 3.01Å; V541-I544 WeakPolarHBondContact O-CB 3.46Å; V541-I544 PolarHBondContact O-N 3.15Å; I544-S546 VanDerWaalsContact C-N 3.27Å; I544-S546 PolarHBondContact O-N 3.47Å; I544-I547 PolarHBondContact O-N 3.17Å; I544-V548 WeakPolarHBondContact O-CG2 3.3Å; I544-V548 PolarHBondContact O-N 3.09Å; I544-F570 HydrophobicContact CG2-CZ 3.88Å
545R89.1Confident86.9Confident83 Ų8360.8 Ų60.831%0.31334%0.337SS..Hα-helixtrans-57.1-40.6175.9-178.4-173.1-70.1158.6-7.6111.9V541 D542 R543 V548 S549 F570V541-R545 PolarHBondContact O-N 3.26Å; D542-R545 IonicContact OD1-CZ 3.47Å; D542-R545 IonicContact OD1-NH1 2.63Å; D542-R545 PolarHBondContact OD1-NH1 3.25Å; R543-R545 PolarHBondContact O-N 3.19Å; R545-V548 PolarHBondContact O-N 3.38Å; R545-S549 WeakPolarHBondContact O-CB 3.49Å; R545-S549 PolarHBondContact O-N 2.95Å; R545-F570 HydrophobicContact CB-CD1 4.5Å; R545-F570 HydrophobicContact CB-CG 4.48Å; R545-F570 HydrophobicContact CG-CB 4.29Å; R545-F570 HydrophobicContact CG-CD2 4.48Å; R545-F570 HydrophobicContact CG-CG 4.24Å
546S90.8Very high87.3Confident70 Ų7061.2 Ų61.249%0.4934%0.338SS..Hα-helixtrans-65.4-45.9179-58.40000112D542 R543 I544 V548 S549 I550D542-S546 WeakPolarHBondContact O-CB 3.34Å; D542-S546 PolarHBondContact O-N 2.76Å; D542-S546 PolarHBondContact O-OG 3Å; R543-S546 WeakPolarHBondContact O-CB 3.2Å; R543-S546 PolarHBondContact O-N 3.33Å; R543-S546 VanDerWaalsContact O-N 3.1Å; I544-S546 VanDerWaalsContact C-N 3.27Å; I544-S546 PolarHBondContact O-N 3.47Å; S546-V548 PolarHBondContact O-N 3.49Å; S546-S549 PolarHBondContact O-N 3.29Å; S546-I550 WeakPolarHBondContact O-CG1 3.31Å; S546-I550 PolarHBondContact O-N 3.47Å
547I89.9Confident87.7Confident11 Ų1164.5 Ų64.56%0.05636%0.362CS..Hα-helixtrans-57.7-49.8174.9-64.9166.7000110.4L513 T530 R543 I544 S549 I550L513-I547 HydrophobicContact CD1-CG2 3.86Å; T530-I547 HydrophobicContact CG2-CG2 4.39Å; R543-I547 HydrophobicContact CG-CD1 4.38Å; R543-I547 WeakPolarHBondContact O-CG1 3.23Å; R543-I547 PolarHBondContact O-N 2.89Å; I544-I547 PolarHBondContact O-N 3.17Å; I547-S549 VanDerWaalsContact C-N 3.29Å; I547-S549 PolarHBondContact O-N 2.99Å; I547-I550 PolarHBondContact O-N 3.36Å
548V91.9Very high88.4Confident0 Ų068.1 Ų68.10%038%0.379CS..Hα-helixtrans-64.5-31.7179.4175.10000112.1L527 T530 I544 R545 S546 I550 Y566 N567 F570L527-V548 HydrophobicContact CD1-CG2 4.05Å; T530-V548 HydrophobicContact CG2-CG2 4.27Å; I544-V548 WeakPolarHBondContact O-CG2 3.3Å; I544-V548 PolarHBondContact O-N 3.09Å; R545-V548 PolarHBondContact O-N 3.38Å; S546-V548 PolarHBondContact O-N 3.49Å; V548-I550 PolarHBondContact O-N 3.25Å; V548-Y566 HydrophobicContact CG1-CD2 4.49Å; V548-N567 PolarHBondContact O-ND2 3.44Å; V548-F570 HydrophobicContact CB-CE2 4.31Å; V548-F570 HydrophobicContact CG1-CD2 4.49Å; V548-F570 HydrophobicContact CG1-CE2 4.32Å; V548-F570 HydrophobicContact CG2-CE2 4.24Å
549S92.4Very high89.4Confident62 Ų6262.6 Ų62.643%0.43435%0.345SS..Hα-helixtrans-67-32.4176.4-167.50000113.4R545 S546 I547 G552 N567R545-S549 WeakPolarHBondContact O-CB 3.49Å; R545-S549 PolarHBondContact O-N 2.95Å; S546-S549 PolarHBondContact O-N 3.29Å; I547-S549 VanDerWaalsContact C-N 3.29Å; I547-S549 PolarHBondContact O-N 2.99Å; S549-G552 PolarHBondContact O-N 3.37Å; S549-N567 WeakPolarHBondContact CA-ND2 3.42Å
550I90.9Very high90.5Very high117 Ų11761.3 Ų61.360%0.634%0.336SS*.Hα-helixtrans-69.6-37.1180-65.1162.1000110.9S546 I547 V548 G552 S553S546-I550 WeakPolarHBondContact O-CG1 3.31Å; S546-I550 PolarHBondContact O-N 3.47Å; I547-I550 PolarHBondContact O-N 3.36Å; V548-I550 PolarHBondContact O-N 3.25Å; I550-G552 PolarHBondContact O-N 3.37Å; I550-S553 PolarHBondContact O-OG 3.1Å
551Y91.3Very high91.4Very high36 Ų3663.2 Ų63.214%0.14134%0.342CS..G310 helixtrans-72.7-9179.5-81-91.6000114.3L513 S553 C554 A563L513-Y551 VanDerWaalsContact C-OH 3.26Å; L513-Y551 HydrophobicContact CB-CE2 4.19Å; L513-Y551 WeakPolarHBondContact CB-OH 3.26Å; L513-Y551 HydrophobicContact CD1-CE2 4.38Å; L513-Y551 HydrophobicContact CD2-CE1 4.37Å; L513-Y551 HydrophobicContact CD2-CE2 4.36Å; L513-Y551 PolarHBondContact O-OH 2.91Å; L513-Y551 VanDerWaalsContact O-OH 3.07Å; Y551-S553 PolarHBondContact O-N 3.21Å; Y551-C554 HydrophobicContact CD1-CB 4.4Å; Y551-C554 VanDerWaalsContact O-CB 3.29Å; Y551-C554 WeakPolarHBondContact O-CB 3.48Å; Y551-C554 PolarHBondContact O-N 3.31Å; Y551-C554 VanDerWaalsContact O-N 3.07Å; Y551-A563 WeakPolarHBondContact O-CB 3.46Å
552G90.6Very high92Very high19 Ų1964.9 Ų64.920%0.19635%0.346CS..G310 helixtrans-65-15.5175.300000114.8S549 I550 Q560S549-G552 PolarHBondContact O-N 3.37Å; I550-G552 PolarHBondContact O-N 3.37Å; G552-Q560 PolarHBondContact O-NE2 3.4Å
553S92.3Very high92.4Very high101 Ų10160 Ų6071%0.70632%0.32SS*.G310 helixtrans-113.426.8172.260.80000112.9I550 Y551I550-S553 PolarHBondContact O-OG 3.1Å; Y551-S553 PolarHBondContact O-N 3.21Å
554C92.2Very high92.8Very high34 Ų3460.4 Ų60.423%0.2333%0.33CS..  trans-66.4150.9173.3-159.20000111.4Y551 D556 L559 Q560Y551-C554 HydrophobicContact CD1-CB 4.4Å; Y551-C554 VanDerWaalsContact O-CB 3.29Å; Y551-C554 WeakPolarHBondContact O-CB 3.48Å; Y551-C554 PolarHBondContact O-N 3.31Å; Y551-C554 VanDerWaalsContact O-N 3.07Å; C554-D556 VanDerWaalsContact C-N 3.35Å; C554-L559 HydrophobicContact CB-CB 4.27Å; C554-Q560 HydrophobicContact CB-CB 4.48Å
555I91.9Very high93Very high170 Ų17065.1 Ų65.187%0.87235%0.351SS*.SBendtrans-76.6-27.3175.4-55.5171.4000110.8V557I555-V557 PolarHBondContact O-N 3.1Å
556D94.5Very high93.3Very high51 Ų5162.6 Ų62.627%0.27334%0.342SS..SBendtrans-76.6121176.5-171.1-70000110.3P520 C554 E558 L559 Q560P520-D556 WeakPolarHBondContact CB-OD2 3.45Å; C554-D556 VanDerWaalsContact C-N 3.35Å; D556-E558 VanDerWaalsContact C-N 3.26Å; D556-E558 PolarHBondContact O-N 2.85Å; D556-E558 WeakPolarHBondContact OD1-CA 3.49Å; D556-E558 VanDerWaalsContact OD1-CB 3.23Å; D556-E558 WeakPolarHBondContact OD1-CB 3.34Å; D556-E558 PolarHBondContact OD1-N 3.26Å; D556-L559 HydrophobicContact CB-CB 4.18Å; D556-L559 HydrophobicContact CB-CD1 3.99Å; D556-L559 HydrophobicContact CB-CG 4Å; D556-L559 PolarHBondContact O-N 3.45Å; D556-L559 PolarHBondContact OD1-N 3.23Å; D556-Q560 VanDerWaalsContact O-CB 3.26Å; D556-Q560 WeakPolarHBondContact O-CB 3.35Å; D556-Q560 PolarHBondContact O-N 3.18Å
557V94.5Very high93.4Very high110 Ų11060 Ų6067%0.66732%0.323SS*.Hα-helixtrans-60.6-34.6-175.7179.80000112.1I555 Q561I555-V557 PolarHBondContact O-N 3.1Å; V557-Q561 VanDerWaalsContact O-CB 3.25Å; V557-Q561 WeakPolarHBondContact O-CB 3.37Å; V557-Q561 PolarHBondContact O-N 2.87Å
558E95.3Very high93.6Very high83 Ų8361.6 Ų61.639%0.38834%0.337SS..Hα-helixtrans-73.2-47.5-177.1-151.1-73.6151.300110.3D556 Q561 R562D556-E558 VanDerWaalsContact C-N 3.26Å; D556-E558 PolarHBondContact O-N 2.85Å; D556-E558 WeakPolarHBondContact OD1-CA 3.49Å; D556-E558 VanDerWaalsContact OD1-CB 3.23Å; D556-E558 WeakPolarHBondContact OD1-CB 3.34Å; D556-E558 PolarHBondContact OD1-N 3.26Å; E558-Q561 PolarHBondContact O-N 3.47Å; E558-R562 VanDerWaalsContact CD-NH2 3.29Å; E558-R562 WeakPolarHBondContact O-CG 3.37Å; E558-R562 PolarHBondContact O-N 2.98Å; E558-R562 IonicContact OE1-CZ 2.79Å; E558-R562 IonicContact OE1-NE 2.92Å; E558-R562 PolarHBondContact OE1-NE 3.25Å; E558-R562 IonicContact OE1-NH2 3.79Å; E558-R562 PolarHBondContact OE1-NH2 2.85Å; E558-R562 IonicContact OE2-CZ 3.2Å; E558-R562 VanDerWaalsContact OE2-CZ 3.29Å; E558-R562 IonicContact OE2-NE 2.73Å; E558-R562 PolarHBondContact OE2-NE 2.86Å; E558-R562 IonicContact OE2-NH2 2.89Å; E558-R562 PolarHBondContact OE2-NH2 3.3Å
559L94.5Very high93.6Very high3 Ų363.2 Ų63.22%0.01635%0.346CS..Hα-helixtrans-64.9-40.8175.7-57.6-177.2000111.9R523 G524 C554 D556 A563R523-L559 HydrophobicContact CB-CD1 3.76Å; R523-L559 HydrophobicContact CB-CD2 3.96Å; G524-L559 VanDerWaalsContact N-CD2 3.35Å; C554-L559 HydrophobicContact CB-CB 4.27Å; D556-L559 HydrophobicContact CB-CB 4.18Å; D556-L559 HydrophobicContact CB-CD1 3.99Å; D556-L559 HydrophobicContact CB-CG 4Å; D556-L559 PolarHBondContact O-N 3.45Å; D556-L559 PolarHBondContact OD1-N 3.23Å; L559-A563 VanDerWaalsContact O-CB 3.26Å; L559-A563 WeakPolarHBondContact O-CB 3.33Å; L559-A563 PolarHBondContact O-N 2.98Å
560Q95.4Very high93.4Very high78 Ų7860.6 Ų60.636%0.36433%0.327SS..Hα-helixtrans-62-48.4176.2-178.5172.448.800111.2G552 C554 D556 A563 V564G552-Q560 PolarHBondContact O-NE2 3.4Å; C554-Q560 HydrophobicContact CB-CB 4.48Å; D556-Q560 VanDerWaalsContact O-CB 3.26Å; D556-Q560 WeakPolarHBondContact O-CB 3.35Å; D556-Q560 PolarHBondContact O-N 3.18Å; Q560-A563 PolarHBondContact O-N 2.99Å; Q560-V564 HydrophobicContact CG-CG2 4.35Å; Q560-V564 WeakPolarHBondContact O-CG2 3.34Å; Q560-V564 PolarHBondContact O-N 3.21Å
561Q95.8Very high93.2Very high104 Ų10462.4 Ų62.449%0.48633%0.33SS..Hα-helixtrans-59.8-50.6179.5-173.965.324.400111V557 E558 A563 V564 E565V557-Q561 VanDerWaalsContact O-CB 3.25Å; V557-Q561 WeakPolarHBondContact O-CB 3.37Å; V557-Q561 PolarHBondContact O-N 2.87Å; E558-Q561 PolarHBondContact O-N 3.47Å; Q561-A563 VanDerWaalsContact C-N 3.34Å; Q561-A563 PolarHBondContact O-N 3.44Å; Q561-V564 PolarHBondContact O-N 3.01Å; Q561-E565 PolarHBondContact NE2-OE1 3.01Å; Q561-E565 WeakPolarHBondContact O-CG 3.5Å; Q561-E565 PolarHBondContact O-N 3.18Å
562R95.6Very high93.1Very high62 Ų6268.2 Ų68.223%0.23436%0.356CS..Hα-helixtrans-55-48.7175.4-73.7-171.2-166.6-168.113.2111.6G524 L527 T528 E558 V564 E565 Y566G524-R562 PolarHBondContact O-NH1 3.47Å; L527-R562 HydrophobicContact CD2-CB 3.83Å; T528-R562 PolarHBondContact OG1-NH1 2.88Å; E558-R562 VanDerWaalsContact CD-NH2 3.29Å; E558-R562 WeakPolarHBondContact O-CG 3.37Å; E558-R562 PolarHBondContact O-N 2.98Å; E558-R562 IonicContact OE1-CZ 2.79Å; E558-R562 IonicContact OE1-NE 2.92Å; E558-R562 PolarHBondContact OE1-NE 3.25Å; E558-R562 IonicContact OE1-NH2 3.79Å; E558-R562 PolarHBondContact OE1-NH2 2.85Å; E558-R562 IonicContact OE2-CZ 3.2Å; E558-R562 VanDerWaalsContact OE2-CZ 3.29Å; E558-R562 IonicContact OE2-NE 2.73Å; E558-R562 PolarHBondContact OE2-NE 2.86Å; E558-R562 IonicContact OE2-NH2 2.89Å; E558-R562 PolarHBondContact OE2-NH2 3.3Å; R562-V564 PolarHBondContact O-N 3.18Å; R562-E565 PolarHBondContact O-N 2.69Å; R562-Y566 HydrophobicContact CB-CD2 4.44Å; R562-Y566 HydrophobicContact CB-CE2 3.99Å; R562-Y566 VanDerWaalsContact O-CB 3.31Å; R562-Y566 WeakPolarHBondContact O-CB 3.43Å; R562-Y566 WeakPolarHBondContact O-CD1 3.38Å; R562-Y566 WeakPolarHBondContact O-CD2 3.37Å; R562-Y566 PolarHBondContact O-N 3.42Å
563A94.8Very high93.1Very high0 Ų072.5 Ų72.50%037%0.367CS..Hα-helixtrans-63.1-42.8-178.500000112.2L527 Y551 L559 Q560 Q561 N567L527-A563 HydrophobicContact CD2-CB 4.22Å; Y551-A563 WeakPolarHBondContact O-CB 3.46Å; L559-A563 VanDerWaalsContact O-CB 3.26Å; L559-A563 WeakPolarHBondContact O-CB 3.33Å; L559-A563 PolarHBondContact O-N 2.98Å; Q560-A563 PolarHBondContact O-N 2.99Å; Q561-A563 VanDerWaalsContact C-N 3.34Å; Q561-A563 PolarHBondContact O-N 3.44Å; A563-N567 VanDerWaalsContact O-CB 3.31Å; A563-N567 WeakPolarHBondContact O-CB 3.44Å; A563-N567 PolarHBondContact O-N 3.49Å; A563-N567 PolarHBondContact O-ND2 3.08Å
564V95.3Very high92.8Very high75 Ų7570.9 Ų70.946%0.45535%0.351SS..Hα-helixtrans-65.7-43.4178.4171.90000111.4Q560 Q561 R562 N567 A568Q560-V564 HydrophobicContact CG-CG2 4.35Å; Q560-V564 WeakPolarHBondContact O-CG2 3.34Å; Q560-V564 PolarHBondContact O-N 3.21Å; Q561-V564 PolarHBondContact O-N 3.01Å; R562-V564 PolarHBondContact O-N 3.18Å; V564-N567 PolarHBondContact O-N 3.13Å; V564-A568 PolarHBondContact O-N 3.03Å
565E94.7Very high92.6Very high98 Ų9876.4 Ų76.446%0.45837%0.373SS..Hα-helixtrans-62.7-47175.4-72.1176.3-178.600112.1Q561 R562 N567 A568 L569Q561-E565 PolarHBondContact NE2-OE1 3.01Å; Q561-E565 WeakPolarHBondContact O-CG 3.5Å; Q561-E565 PolarHBondContact O-N 3.18Å; R562-E565 PolarHBondContact O-N 2.69Å; E565-N567 VanDerWaalsContact C-N 3.34Å; E565-N567 PolarHBondContact O-N 2.91Å; E565-A568 WeakPolarHBondContact O-CB 3.5Å; E565-A568 PolarHBondContact O-N 3.48Å; E565-A568 VanDerWaalsContact O-N 3.11Å; E565-L569 PolarHBondContact O-N 3.26Å
566Y94.9Very high92.4Very high31 Ų3172.1 Ų72.112%0.12235%0.35CS..Hα-helixtrans-64.3-38178-62.7-12000111.7L527 T528 M531 V548 R562 A568 L569 F570L527-Y566 HydrophobicContact CG-CD2 4.31Å; L527-Y566 HydrophobicContact CG-CE2 4.19Å; T528-Y566 PolarHBondContact OG1-OH 2.86Å; M531-Y566 HydrophobicContact CB-CD2 3.6Å; M531-Y566 HydrophobicContact CB-CE2 3.65Å; M531-Y566 HydrophobicContact CB-CG 4.08Å; M531-Y566 HydrophobicContact CE-CD1 4.18Å; M531-Y566 HydrophobicContact CE-CG 4.14Å; M531-Y566 HydrophobicContact CG-CD1 3.83Å; M531-Y566 HydrophobicContact CG-CD2 3.73Å; M531-Y566 HydrophobicContact CG-CE1 4.11Å; M531-Y566 HydrophobicContact CG-CE2 4Å; M531-Y566 HydrophobicContact CG-CG 3.64Å; M531-Y566 HydrophobicContact SD-CD1 4.47Å; M531-Y566 HydrophobicContact SD-CD2 4.38Å; M531-Y566 HydrophobicContact SD-CG 4Å; V548-Y566 HydrophobicContact CG1-CD2 4.49Å; R562-Y566 HydrophobicContact CB-CD2 4.44Å; R562-Y566 HydrophobicContact CB-CE2 3.99Å; R562-Y566 VanDerWaalsContact O-CB 3.31Å; R562-Y566 WeakPolarHBondContact O-CB 3.43Å; R562-Y566 WeakPolarHBondContact O-CD1 3.38Å; R562-Y566 WeakPolarHBondContact O-CD2 3.37Å; R562-Y566 PolarHBondContact O-N 3.42Å; Y566-A568 VanDerWaalsContact C-N 3.34Å; Y566-A568 PolarHBondContact O-N 2.82Å; Y566-L569 WeakPolarHBondContact O-CB 3.46Å; Y566-L569 PolarHBondContact O-N 2.85Å; Y566-F570 WeakPolarHBondContact O-CD2 3.3Å; Y566-F570 PolarHBondContact O-N 3.48Å
567N93.1Very high92Very high15 Ų1570.7 Ų70.78%0.0834%0.341CS..Hα-helixtrans-64.7-34.8172-81.6-62000112.9V548 S549 A563 V564 E565 L569 F570 K571V548-N567 PolarHBondContact O-ND2 3.44Å; S549-N567 WeakPolarHBondContact CA-ND2 3.42Å; A563-N567 VanDerWaalsContact O-CB 3.31Å; A563-N567 WeakPolarHBondContact O-CB 3.44Å; A563-N567 PolarHBondContact O-N 3.49Å; A563-N567 PolarHBondContact O-ND2 3.08Å; V564-N567 PolarHBondContact O-N 3.13Å; E565-N567 VanDerWaalsContact C-N 3.34Å; E565-N567 PolarHBondContact O-N 2.91Å; N567-L569 VanDerWaalsContact C-N 3.35Å; N567-F570 PolarHBondContact O-N 3.2Å; N567-K571 WeakPolarHBondContact O-CB 3.38Å; N567-K571 WeakPolarHBondContact O-CG 3.29Å; N567-K571 PolarHBondContact O-N 2.87Å
568A92.9Very high91.5Very high44 Ų4468.4 Ų68.436%0.36433%0.334SS..Hα-helixtrans-65.5-39.6174.100000111.4V564 E565 Y566 K571 K572V564-A568 PolarHBondContact O-N 3.03Å; E565-A568 WeakPolarHBondContact O-CB 3.5Å; E565-A568 PolarHBondContact O-N 3.48Å; E565-A568 VanDerWaalsContact O-N 3.11Å; Y566-A568 VanDerWaalsContact C-N 3.34Å; Y566-A568 PolarHBondContact O-N 2.82Å; A568-K571 PolarHBondContact O-N 3.19Å; A568-K572 PolarHBondContact O-N 3.18Å
569L91.9Very high91.1Very high35 Ų3568.5 Ų68.518%0.18335%0.348CS..Hα-helixtrans-60.9-50.1171.9-68.1173.4000111.4M531 E565 Y566 N567 K571 Y573 D574 R577M531-L569 HydrophobicContact CE-CB 3.82Å; M531-L569 HydrophobicContact CE-CD1 3.67Å; M531-L569 HydrophobicContact CE-CG 4.4Å; E565-L569 PolarHBondContact O-N 3.26Å; Y566-L569 WeakPolarHBondContact O-CB 3.46Å; Y566-L569 PolarHBondContact O-N 2.85Å; N567-L569 VanDerWaalsContact C-N 3.35Å; L569-K571 VanDerWaalsContact C-N 3.32Å; L569-K571 PolarHBondContact O-N 3.41Å; L569-Y573 CarbonylContact O-C 3.1Å; L569-Y573 WeakPolarHBondContact O-CA 3.48Å; L569-Y573 PolarHBondContact O-N 3.01Å; L569-D574 PolarHBondContact O-N 3.27Å; L569-D574 VanDerWaalsContact O-N 3.12Å; L569-R577 HydrophobicContact CB-CG 4.2Å
570F88.7Confident90.8Very high6 Ų672.2 Ų72.23%0.02637%0.371CS..Hα-helixtrans-61.8-32.5177.2-78.2-61.2000114.7M531 V541 I544 R545 V548 Y566 N567M531-F570 HydrophobicContact CE-CD2 4.42Å; M531-F570 HydrophobicContact CE-CE2 4.09Å; M531-F570 HydrophobicContact CE-CZ 4.35Å; M531-F570 HydrophobicContact SD-CD2 4.25Å; M531-F570 HydrophobicContact SD-CE2 3.39Å; M531-F570 WeakPolarHBondContact SD-CE2 3.46Å; M531-F570 HydrophobicContact SD-CZ 3.55Å; M531-F570 VanDerWaalsContact SD-CZ 3.55Å; V541-F570 HydrophobicContact CG1-CE1 4.07Å; I544-F570 HydrophobicContact CG2-CZ 3.88Å; R545-F570 HydrophobicContact CB-CD1 4.5Å; R545-F570 HydrophobicContact CB-CG 4.48Å; R545-F570 HydrophobicContact CG-CB 4.29Å; R545-F570 HydrophobicContact CG-CD2 4.48Å; R545-F570 HydrophobicContact CG-CG 4.24Å; V548-F570 HydrophobicContact CB-CE2 4.31Å; V548-F570 HydrophobicContact CG1-CD2 4.49Å; V548-F570 HydrophobicContact CG1-CE2 4.32Å; V548-F570 HydrophobicContact CG2-CE2 4.24Å; Y566-F570 WeakPolarHBondContact O-CD2 3.3Å; Y566-F570 PolarHBondContact O-N 3.48Å; N567-F570 PolarHBondContact O-N 3.2Å
571K87.9Confident90.6Very high156 Ų15669.2 Ų69.268%0.67836%0.357SS*.Hα-helixtrans-90.8-33.1-175-72.7180-179.3178.40114.4N567 A568 L569N567-K571 WeakPolarHBondContact O-CB 3.38Å; N567-K571 WeakPolarHBondContact O-CG 3.29Å; N567-K571 PolarHBondContact O-N 2.87Å; A568-K571 PolarHBondContact O-N 3.19Å; L569-K571 VanDerWaalsContact C-N 3.32Å; L569-K571 PolarHBondContact O-N 3.41Å
572K89.4Confident90.3Very high158 Ų15869.9 Ų69.969%0.68736%0.361SS*.Hα-helixtrans-119.4-29.4-172.6-66.7-174.3178.7-1780114.4A568A568-K572 PolarHBondContact O-N 3.18Å
573Y90.3Very high89.9Confident109 Ų10971.7 Ų71.743%0.42737%0.367SS..  trans-130.540.2-166.2-56.9-71.2000111.9L569 H575 M576L569-Y573 CarbonylContact O-C 3.1Å; L569-Y573 WeakPolarHBondContact O-CA 3.48Å; L569-Y573 PolarHBondContact O-N 3.01Å; Y573-H575 VanDerWaalsContact C-N 3.26Å; Y573-H575 PolarHBondContact O-N 3.4Å; Y573-M576 HydrophobicContact CD1-SD 3.63Å; Y573-M576 HydrophobicContact CE1-SD 4.48Å; Y573-M576 HydrophobicContact CG-SD 3.99Å; Y573-M576 WeakPolarHBondContact O-CA 3.28Å; Y573-M576 WeakPolarHBondContact O-CB 3.47Å; Y573-M576 PolarHBondContact O-N 3.42Å
574D85.3Confident89.6Confident66 Ų6676.2 Ų76.235%0.35339%0.39SS..G310 helixtrans-57.1-41.3-173.6-160.369000112.2L569 M576 R577L569-D574 PolarHBondContact O-N 3.27Å; L569-D574 VanDerWaalsContact O-N 3.12Å; D574-M576 PolarHBondContact O-N 3.36Å; D574-R577 VanDerWaalsContact CG-NH2 3.31Å; D574-R577 WeakPolarHBondContact O-CB 3.34Å; D574-R577 WeakPolarHBondContact O-CG 3.44Å; D574-R577 PolarHBondContact O-N 2.94Å; D574-R577 VanDerWaalsContact O-N 3.11Å; D574-R577 IonicContact OD1-CZ 3.9Å; D574-R577 IonicContact OD1-NE 3.18Å; D574-R577 PolarHBondContact OD1-NE 3.13Å; D574-R577 IonicContact OD1-NH2 3.91Å; D574-R577 PolarHBondContact OD1-NH2 3.31Å; D574-R577 IonicContact OD2-CZ 3.79Å; D574-R577 IonicContact OD2-NE 2.76Å; D574-R577 IonicContact OD2-NH2 3.65Å; D574-R577 PolarHBondContact OD2-NH2 3.44Å; D574-R577 VanDerWaalsContact OD2-NH2 3.07Å
575H87.1Confident89.2Confident150 Ų15077.9 Ų77.969%0.69440%0.402SS*.G310 helixtrans-62-21.4174.364.4-86.3000114.6Y573Y573-H575 VanDerWaalsContact C-N 3.26Å; Y573-H575 PolarHBondContact O-N 3.4Å
576M89Confident88.6Confident81 Ų8177.1 Ų77.140%0.39940%0.404SS..G310 helixtrans-86.2-16.1177-59-177.165.200112.7Y573 D574 A578 A579 V580Y573-M576 HydrophobicContact CD1-SD 3.63Å; Y573-M576 HydrophobicContact CE1-SD 4.48Å; Y573-M576 HydrophobicContact CG-SD 3.99Å; Y573-M576 WeakPolarHBondContact O-CA 3.28Å; Y573-M576 WeakPolarHBondContact O-CB 3.47Å; Y573-M576 PolarHBondContact O-N 3.42Å; D574-M576 PolarHBondContact O-N 3.36Å; M576-A578 VanDerWaalsContact C-N 3.33Å; M576-A578 PolarHBondContact O-N 2.92Å; M576-A579 PolarHBondContact O-N 3.2Å; M576-V580 WeakPolarHBondContact O-CG2 3.47Å; M576-V580 PolarHBondContact O-N 3.31Å; M576-V580 VanDerWaalsContact O-N 3.1Å
577R85.6Confident87.9Confident21 Ų2179.7 Ų79.78%0.07942%0.419CS..Hα-helixtrans-55.5-46.7-176.3-71-167.4-67.5112.54.3111.8M531 S534 T535 L569 D574 A579 V580 L581M531-R577 HydrophobicContact CE-CG 4.31Å; S534-R577 VanDerWaalsContact CB-NH1 3.28Å; S534-R577 PolarHBondContact O-NH1 2.89Å; S534-R577 PolarHBondContact OG-NH1 3.25Å; T535-R577 HydrophobicContact CG2-CB 3.81Å; L569-R577 HydrophobicContact CB-CG 4.2Å; D574-R577 VanDerWaalsContact CG-NH2 3.31Å; D574-R577 WeakPolarHBondContact O-CB 3.34Å; D574-R577 WeakPolarHBondContact O-CG 3.44Å; D574-R577 PolarHBondContact O-N 2.94Å; D574-R577 VanDerWaalsContact O-N 3.11Å; D574-R577 IonicContact OD1-CZ 3.9Å; D574-R577 IonicContact OD1-NE 3.18Å; D574-R577 PolarHBondContact OD1-NE 3.13Å; D574-R577 IonicContact OD1-NH2 3.91Å; D574-R577 PolarHBondContact OD1-NH2 3.31Å; D574-R577 IonicContact OD2-CZ 3.79Å; D574-R577 IonicContact OD2-NE 2.76Å; D574-R577 IonicContact OD2-NH2 3.65Å; D574-R577 PolarHBondContact OD2-NH2 3.44Å; D574-R577 VanDerWaalsContact OD2-NH2 3.07Å; R577-A579 PolarHBondContact O-N 3.49Å; R577-V580 PolarHBondContact O-N 2.95Å; R577-L581 HydrophobicContact CB-CD1 4.34Å; R577-L581 VanDerWaalsContact O-CB 3.3Å; R577-L581 WeakPolarHBondContact O-CB 3.09Å; R577-L581 WeakPolarHBondContact O-CG 3.39Å; R577-L581 PolarHBondContact O-N 3.11Å
578A84.5Confident86.9Confident62 Ų6286.9 Ų86.951%0.51245%0.452SS..Hα-helixtrans-59.4-43.6179.700000112.7M576 E582M576-A578 VanDerWaalsContact C-N 3.33Å; M576-A578 PolarHBondContact O-N 2.92Å; A578-E582 PolarHBondContact O-N 3.24Å
579A86.3Confident85.2Confident84 Ų8491.2 Ų91.269%0.69446%0.462SS*.Hα-helixtrans-71.1-31-17900000113.5M576 R577M576-A579 PolarHBondContact O-N 3.2Å; R577-A579 PolarHBondContact O-N 3.49Å
580V89.5Confident83Confident82 Ų8296.4 Ų96.450%0.49749%0.49SS..Hα-helixtrans-86.5-28.7-179.1177.60000112.3M576 R577M576-V580 WeakPolarHBondContact O-CG2 3.47Å; M576-V580 PolarHBondContact O-N 3.31Å; M576-V580 VanDerWaalsContact O-N 3.1Å; R577-V580 PolarHBondContact O-N 2.95Å
581L90.3Very high80.5Confident14 Ų14101.3 Ų101.37%0.07353%0.525CS..SBendtrans-103.424.6-176.8-59.2168.2000113.3M531 K532 T535 R536 R577M531-L581 HydrophobicContact CE-CD1 4.11Å; M531-L581 HydrophobicContact CG-CD1 3.95Å; M531-L581 HydrophobicContact CG-CD2 4.22Å; M531-L581 WeakPolarHBondContact O-CD1 3.46Å; M531-L581 HydrophobicContact SD-CD1 4.3Å; K532-L581 HydrophobicContact CG-CD2 4.11Å; T535-L581 HydrophobicContact CG2-CB 4.07Å; T535-L581 HydrophobicContact CG2-CD1 3.75Å; R536-L581 PolarHBondContact NH2-O 2.95Å; R577-L581 HydrophobicContact CB-CD1 4.34Å; R577-L581 VanDerWaalsContact O-CB 3.3Å; R577-L581 WeakPolarHBondContact O-CB 3.09Å; R577-L581 WeakPolarHBondContact O-CG 3.39Å; R577-L581 PolarHBondContact O-N 3.11Å
582E89Confident78.1Confident119 Ų119102.4 Ų102.456%0.55654%0.538SS*.SBendtrans-61.4157.5169.6-167.949.1-101.900110.8A578 M584A578-E582 PolarHBondContact O-N 3.24Å; E582-M584 WeakPolarHBondContact O-CE 3.35Å; E582-M584 PolarHBondContact O-N 3.25Å
583R87.6Confident75.6Confident100 Ų10098.2 Ų98.238%0.37754%0.539SS..PPolyproline II helixtrans-57.5132.9-178.3-74.1-176.9171.5157.43.5111.6E482 D485 R536E482-R583 PolarHBondContact O-NE 3.07Å; D485-R583 IonicContact OD1-CZ 2.94Å; D485-R583 IonicContact OD1-NH2 3.73Å; D485-R583 PolarHBondContact OD1-NH2 3.04Å; D485-R583 IonicContact OD2-NH2 3.3Å; D485-R583 PolarHBondContact OD2-NH2 3.47Å; R536-R583 VanDerWaalsContact NH2-CG 3.31Å
584M87.6Confident72.7Confident95 Ų95101.4 Ų101.447%0.46856%0.558SS.*PPolyproline II helixtrans-61.4140.1178.6-67.9-68.3100.700111.6E482 E582E482-M584 WeakPolarHBondContact OE1-CG 3.3Å; E582-M584 WeakPolarHBondContact O-CE 3.35Å; E582-M584 PolarHBondContact O-N 3.25Å
585P86.9Confident70Confident110 Ų110103 Ų10371%0.71457%0.57SS**PPolyproline II helixtrans-56.9148.2175.1-2635000113I587P585-I587 PolarHBondContact O-N 3.42Å
586V83.5Confident67.4Low81 Ų81104 Ų10449%0.49158%0.581SS.*PPolyproline II helixtrans-65.4120.6-179.2-176.10000110.5T446 N447 Q588T446-V586 HydrophobicContact CG2-CB 4.4Å; T446-V586 HydrophobicContact CG2-CG1 4.3Å; T446-V586 HydrophobicContact CG2-CG2 4.3Å; N447-V586 HydrophobicContact CB-CG1 4.5Å; N447-V586 VanDerWaalsContact OD1-CG1 3.24Å; N447-V586 WeakPolarHBondContact OD1-CG1 3.27Å; V586-Q588 PolarHBondContact O-N 2.79Å; V586-Q588 VanDerWaalsContact O-N 3.12Å
587I79.9Confident64.6Low86 Ų86103.6 Ų103.644%0.44160%0.597SS.*  trans-69.4108.7-178.9-52.6172.1000109.2Q443 N447 P585Q443-I587 HydrophobicContact CG-CB 4.16Å; Q443-I587 HydrophobicContact CG-CG2 4.33Å; Q443-I587 PolarHBondContact NE2-O 3.05Å; N447-I587 PolarHBondContact ND2-O 2.97Å; P585-I587 PolarHBondContact O-N 3.42Å
588Q71.2Confident61.8Low166 Ų166110.6 Ų110.678%0.77663%0.631SS**  trans-67.3146.2174.3-65.2-170.210.900111.1Q443 V586 N590Q443-Q588 VanDerWaalsContact NE2-C 3.33Å; Q443-Q588 PolarHBondContact NE2-O 3.43Å; Q443-Q588 VanDerWaalsContact NE2-O 3.09Å; V586-Q588 PolarHBondContact O-N 2.79Å; V586-Q588 VanDerWaalsContact O-N 3.12Å; Q588-N590 PolarHBondContact O-N 3Å
589K58.8Low59.4Low134 Ų134116.7 Ų116.758%0.58365%0.654SS**  trans-83.795.8-176.3-156.4178.6-170.7-174.40110.2E409 S591E409-K589 WeakPolarHBondContact OE1-CE 3.43Å; E409-K589 IonicContact OE1-NZ 3.02Å; E409-K589 PolarHBondContact OE1-NZ 2.76Å; K589-S591 PolarHBondContact O-N 3.06Å
590N44.8Very low56.6Low144 Ų144117.9 Ų117.977%0.7766%0.657SS**  trans-57.8130.4162.9-78.21.1000108.4Q588 L592Q588-N590 PolarHBondContact O-N 3Å; N590-L592 PolarHBondContact O-N 3.14Å
591S36Very low53.7Low109 Ų109123.5 Ų123.576%0.76268%0.678SS**SBendtrans-55.1126.6-178.7-59.20000111.2K589 G593K589-S591 PolarHBondContact O-N 3.06Å; S591-G593 PolarHBondContact O-N 2.82Å
592L36.7Very low50.6Low179 Ų179131.9 Ų131.994%0.93772%0.717SS**SBendtrans22.890163.1-76.6140.6000116.3N590 Q594N590-L592 PolarHBondContact O-N 3.14Å; L592-Q594 PolarHBondContact O-N 2.86Å
593G37.8Very low47.6Very low70 Ų70131.9 Ų131.972%0.72273%0.727SS**  trans57.360.5147.200000116.9S591 T595S591-G593 PolarHBondContact O-N 2.82Å; G593-T595 PolarHBondContact O-N 3.34Å
594Q29.4Very low44.5Very low177 Ų177136.5 Ų136.583%0.82776%0.755SS**  trans-70.388.6147.1-78.5-174.9-15.600108.4L592 N596L592-Q594 PolarHBondContact O-N 2.86Å; Q594-N596 PolarHBondContact O-N 2.78Å
595T29.6Very low41.5Very low98 Ų98141.7 Ų141.760%0.60178%0.775SS**  trans-56.9128.4153.338.50000107.6G593 G597G593-T595 PolarHBondContact O-N 3.34Å; T595-G597 PolarHBondContact O-N 2.68Å
596N30.7Very low38.4Very low173 Ų173145.3 Ų145.393%0.92578%0.782SS**THydrogen-bonded Turntrans-65.996.6173.7-88.1-24.7000109.2Q594Q594-N596 PolarHBondContact O-N 2.78Å
597G30.6Very low35.5Very low71 Ų71147.3 Ų147.373%0.73280%0.8SS**THydrogen-bonded Turntrans115.152.2164.800000117.9T595T595-G597 PolarHBondContact O-N 2.68Å
598E26.5Very low32.8Very low168 Ų168152.3 Ų152.379%0.78582%0.822SS**  trans-129.3116.8149.6-75.6-165.6150.500110.9S600E598-S600 PolarHBondContact O-N 3.18Å
599L34.1Very low30.8Very low190 Ų190150.4 Ų150.4100%0.99582%0.824SS**  trans-70113.5173.3-75.6160.8000109
600S27.4Very low29.1Very low109 Ų109147.5 Ų147.576%0.76283%0.831SS**  trans-117.9126.1168.824.80000109.7E598E598-S600 PolarHBondContact O-N 3.18Å
601E29.7Very low28.1Very low200 Ų200150.8 Ų150.894%0.93584%0.839SS**PPolyproline II helixtrans-70126.6177.2-58.3173.5137.800109.6
602E24.8Very low27.5Very low190 Ų190151.7 Ų151.789%0.88884%0.839SS**PPolyproline II helixtrans-96.5135.8164.8-77.4-149.2143.800111.2
603P25.3Very low26.9Very low119 Ų119153.2 Ų153.277%0.77384%0.839SS**PPolyproline II helixtrans-79.5141.1-179.332.1-34.3000111.9K605P603-K605 PolarHBondContact O-N 3.19Å
604M22.5Very low26.2Very low198 Ų198157.1 Ų157.198%0.97584%0.838SS**PPolyproline II helixtrans-56.6135.3174.3-64.8179.9177.400112
605K25.7Very low25.9Very low203 Ų203158.3 Ų158.388%0.88384%0.844SS**  trans-117.9130158.9-93-176.4175.3175.50110.4P603P603-K605 PolarHBondContact O-N 3.19Å
606E22.3Very low25.5Very low186 Ų186160.9 Ų160.987%0.86985%0.849SS**  trans-64.5151.6-180-60.6170.711400112
607S22.4Very low25.1Very low123 Ų123160.2 Ų160.286%0.8685%0.851SS**  trans-149.5117.2163-73.50000109.4
608Q23.3Very low24.7Very low191 Ų191161.1 Ų161.189%0.89385%0.852SS**  trans-84.5162.3177.4-87.4-166.610.800112.3
609P29Very low24.4Very low127 Ų127161.2 Ų161.283%0.82586%0.857SS**  trans-98.1160.1-149.237.3-36.9000115.4
610G22.2Very low24.2Very low72 Ų72157.6 Ų157.674%0.74284%0.844SS**  trans-169.594.6174.300000117.7
611K24.3Very low24.1Very low214 Ų214158.2 Ų158.293%0.9385%0.846SS**  trans70.8113.7154.3-63.1-178.2178.3176.70119.9
612V23Very low23.8Very low127 Ų127157.7 Ų157.777%0.7784%0.844SS**  trans-90.9148.3162.5174.60000110.3Q614V612-Q614 HydrophobicContact CG1-CG 4.24Å
613K24.4Very low23.8Very low212 Ų212154.6 Ų154.692%0.92284%0.84SS**  trans-129.1132.3147.6-96.6-170170.5-170.30108.3
614Q22.6Very low23.8Very low151 Ų151154.1 Ų154.171%0.70685%0.846SS**  trans-86.2155.3179.9-65.8160.8-80.700111.2V612V612-Q614 HydrophobicContact CG1-CG 4.24Å
615E23.3Very low23.8Very low202 Ų202148.3 Ų148.394%0.94484%0.837SS**  trans-142.9139.8131.1-127167-160.900108.1
616E21.8Very low23.8Very low153 Ų153147.2 Ų147.272%0.71584%0.835SS**  trans-104.9153-165.7-65.9176.1126.600112.6
617T22.2Very low23.9Very low158 Ų158143.2 Ų143.297%0.96983%0.834SS**  trans-151.6137.9135.7-10.10000109.6
618A21.1Very low24.1Very low90 Ų90145.2 Ų145.274%0.74483%0.829SS**  trans-110.6167.7-15600000114.3
619L21.8Very low24.4Very low170 Ų170143 Ų14389%0.8983%0.829SS**  trans-161.7160.5140.8-95.7170.4000108.9
620P28.3Very low24.5Very low114 Ų114142.7 Ų142.774%0.7482%0.824SS**  trans-96173.5-147.438-39.9000117.2
621P26.7Very low24.9Very low122 Ų122144.7 Ų144.779%0.79282%0.818SS**  trans-104.1165.1-158.639.8-35.9000116.4
622Q23Very low25.5Very low190 Ų190141.3 Ų141.389%0.88881%0.809SS**  trans-133.4155.8157.8-86.3-167-6.100111.2
623P25.3Very low26.3Very low125 Ų125142.1 Ų142.181%0.81281%0.808SS**  trans-89.4161-152.934.5-36.5000115.6
624A23.7Very low27.1Very low108 Ų108139.2 Ų139.289%0.89380%0.803SS**  trans-69.2139.6-177.100000114
625G23.8Very low28Very low76 Ų76135.4 Ų135.478%0.78479%0.787SS**  trans-121.6121.6162.500000109.6
626Q25.1Very low28.8Very low181 Ų181132.1 Ų132.185%0.84678%0.775SS**  trans-73129.4-178.8-69168.5-36.200110.8Q628Q626-Q628 PolarHBondContact O-N 3.41Å; Q626-Q628 VanDerWaalsContact O-N 3.07Å
627A23.8Very low29.4Very low102 Ų102128.2 Ų128.284%0.84378%0.776SS**  trans-74.694.1168.600000109.8V629A627-V629 PolarHBondContact O-N 3.38Å
628Q26.7Very low29.6Very low164 Ų164124 Ų12477%0.76676%0.764SS**  trans-76.9111.6166-81.6-173.6-31.700109.8Q626 V630Q626-Q628 PolarHBondContact O-N 3.41Å; Q626-Q628 VanDerWaalsContact O-N 3.07Å; Q628-V630 HydrophobicContact CB-CG2 4.14Å; Q628-V630 PolarHBondContact O-N 3.02Å
629V30.5Very low29.9Very low146 Ų146124.9 Ų124.989%0.88577%0.765SS**  trans-69.5112.8162.7178.30000107.4A627A627-V629 PolarHBondContact O-N 3.38Å
630V30.6Very low30.1Very low120 Ų120125.8 Ų125.873%0.72777%0.765SS**  trans-118.297.6175.4-174.10000110.1Q628Q628-V630 HydrophobicContact CB-CG2 4.14Å; Q628-V630 PolarHBondContact O-N 3.02Å
631D32Very low30Very low113 Ų113129.2 Ų129.260%0.60477%0.771SS**  trans29.4124.5144.3-144.9-20000120.6L633D631-L633 WeakPolarHBondContact OD1-CB 3.23Å; D631-L633 VanDerWaalsContact OD1-CD1 3.28Å; D631-L633 WeakPolarHBondContact OD1-CD1 3.32Å; D631-L633 PolarHBondContact OD1-N 3.24Å
632L36.7Very low30Very low143 Ų143128.8 Ų128.875%0.74977%0.768SS**SBendtrans-99-1.4177.5-16069.3000112.7
633L39.1Very low30.1Very low145 Ų145127.7 Ų127.776%0.75977%0.767SS**G310 helixtrans-78.9-14.7-174.2-85.3106.9000115.7D631 L635D631-L633 WeakPolarHBondContact OD1-CB 3.23Å; D631-L633 VanDerWaalsContact OD1-CD1 3.28Å; D631-L633 WeakPolarHBondContact OD1-CD1 3.32Å; D631-L633 PolarHBondContact OD1-N 3.24Å; L633-L635 PolarHBondContact O-N 2.91Å
634D41.6Very low30.1Very low151 Ų151130.5 Ų130.581%0.80777%0.769SS**G310 helixtrans-74.2-10.1-174.7-15730.5000114.1L636D634-L636 PolarHBondContact O-N 2.95Å
635L41.5Very low30.6Very low70 Ų70131.5 Ų131.537%0.36677%0.767SS.*G310 helixtrans-72.8-9.3-177.9-151.978.6000114.4L633 A730 M787L633-L635 PolarHBondContact O-N 2.91Å; L635-A730 HydrophobicContact CD2-CB 3.74Å; L635-M787 HydrophobicContact CD1-SD 3.85Å
636L39.9Very low30.6Very low134 Ų134130.7 Ų130.770%0.70276%0.759SS**G310 helixtrans-127.114.2-173-74.9171.7000114.1D634 G638D634-L636 PolarHBondContact O-N 2.95Å; L636-G638 PolarHBondContact O-N 2.71Å
637G33.1Very low30.6Very low71 Ų71127.6 Ų127.673%0.73276%0.757SS**  trans-63.3126174.600000112.3
638G26.3Very low30.6Very low70 Ų70127.8 Ų127.872%0.72275%0.752SS**  trans-128.1147.8166.600000110.3L636L636-G638 PolarHBondContact O-N 2.71Å
639S28.4Very low30.6Very low108 Ų108126.7 Ų126.776%0.75576%0.756SS**  trans-179.2151.7146.136.50000112.7
640Q27Very low30.4Very low189 Ų189123.3 Ų123.388%0.88375%0.751SS**  trans70.7127.1151.8-71.6163.92.700120.6
641E24.6Very low30.1Very low186 Ų186121.1 Ų121.187%0.86975%0.753SS**  trans-64.8157.4159.9-54.5174.5111.400110.4
642P28.2Very low29.7Very low112 Ų112121.5 Ų121.573%0.72777%0.765SS**  -147.6147.290.434.6-16.5000117.1
643L23.9Very low29.1Very low168 Ų168119.3 Ų119.388%0.8877%0.767SS**  trans54.6120.6139.1-61.8165.3000122.1
644Q26.1Very low28.4Very low183 Ų183117.5 Ų117.586%0.85577%0.766SS**  trans-65.7173.4156.7-87.3-174.5-0.600113.1
645P33Very low27.6Very low129 Ų129117 Ų11784%0.83877%0.769SS**  cis-134.8-174.924.339.1-18.4000115.6
646G23.8Very low26.7Very low60 Ų60121.3 Ų121.362%0.61979%0.787SS**  cis175.5-169.9-0.300000112.7
647S25.6Very low26Very low115 Ų115121.5 Ų121.580%0.80479%0.788SS**  trans77.7113.8-177.674.50000116.3
648S24.5Very low25.5Very low107 Ų107124.4 Ų124.475%0.74879%0.791SS**  80.8130.65976.40000112.9
649V26.5Very low25.3Very low140 Ų140125.7 Ų125.785%0.84880%0.796SS**  cis-159.9148.444.7168.50000113.1
650G25.7Very low25Very low76 Ų76125 Ų12578%0.78480%0.796SS**  trans81.8135144.900000118.2
651G24.3Very low26Very low74 Ų74121 Ų12176%0.76379%0.787SS**  cis107132.530.200000109.6
652S24.6Very low26.1Very low121 Ų121118.6 Ų118.685%0.84679%0.785SS**  cis-164.3157.64.3-64.50000112.4
653A24.2Very low26.1Very low97 Ų97118.7 Ų118.780%0.80279%0.788SS**  trans54.6121.2143.500000124.6
654S24.3Very low26.5Very low106 Ų106115.7 Ų115.774%0.74179%0.787SS**  trans-43.7153.615551.40000121.3
655T23.4Very low26.4Very low140 Ų140111 Ų11186%0.85979%0.788SS**  172.9163.3128.432.70000109.3
656H24.3Very low26.3Very low162 Ų162108.5 Ų108.575%0.7579%0.786SS**  cis174.9145.5-38.2-140.8-71000106.7
657L24.2Very low26.7Very low137 Ų137112.8 Ų112.872%0.71780%0.795SS**  trans90.2127.6154.9-57.7172.1000124.9
658T22.3Very low27Very low132 Ų132114.5 Ų114.581%0.8179%0.794SS**  trans65.9153137.254.40000121.8
659A22.5Very low27.5Very low98 Ų98117.7 Ų117.781%0.8180%0.802SS**  cis-166.1175.5-17.700000109.9
660A22.9Very low28Very low92 Ų92118.5 Ų118.576%0.7680%0.801SS**  trans-99.1-156-176.100000112.9
661P46.9Very low28.5Very low106 Ų106123 Ų12369%0.68881%0.806SS**  cis-146.2-164.9-8.830.4-2.8000116.9
662T27.1Very low28.9Very low135 Ų135127 Ų12783%0.82881%0.81SS**  trans82.8155.6159.974.50000119
663S28.7Very low29.1Very low115 Ų115125.6 Ų125.680%0.80481%0.814SS**  cis-158.5173.817.751.90000110.4
664A31.8Very low29.2Very low104 Ų104124.5 Ų124.586%0.8681%0.812SS**  cis-170.5168.3-25.900000110.6
665G24.7Very low29.4Very low84 Ų84130.2 Ų130.287%0.86682%0.824SS**  trans126.5162.1176.300000113.5
666G29.5Very low29.5Very low77 Ų77132 Ų13279%0.79482%0.823SS**  cis147.6136.2-8.600000112.6
667D33.2Very low29.7Very low151 Ų151130.5 Ų130.581%0.80783%0.827SS**  cis-163161.9-9-159.711.6000113.9
668L32.3Very low29.8Very low150 Ų150130.2 Ų130.279%0.78583%0.831SS**  trans50.980.4152.5-145.189.3000123.5
669L34.3Very low30.3Very low174 Ų174129.8 Ų129.891%0.91183%0.83SS**  trans-158.119.5157.3-122.3174.1000119.1
670D36.8Very low30.7Very low157 Ų157133.3 Ų133.384%0.8484%0.835SS**  trans-127.962.8-173.2-151.74.7000114.4
671L36.6Very low31.2Very low170 Ų170133.2 Ų133.289%0.8983%0.834SS**  trans-10928.9-179.8-162.284.6000113
672L31.6Very low31.1Very low160 Ų160134.3 Ų134.384%0.83884%0.841SS**SBendtrans-142.6116.7172-75178.1000110.7
673G30.6Very low32.5Very low91 Ų91130.9 Ų130.994%0.93883%0.827SS**  trans-65.4141-16100000117.1
674G25.9Very low34.7Very low73 Ų73129.3 Ų129.375%0.75381%0.814SS**  trans-136.5119.5159.600000109.9E676G674-E676 PolarHBondContact O-N 3.21Å
675F27.3Very low36.9Very low226 Ų226128.8 Ų128.899%0.99180%0.8SS**  trans-85.295.7170.9-92.6-87.9000109.2
676E25.6Very low39.9Very low179 Ų179127.8 Ų127.884%0.83678%0.777SS**  trans-105.3135.4161.8-72.4-165.1147.100110.4G674 T678G674-E676 PolarHBondContact O-N 3.21Å; E676-T678 PolarHBondContact O-N 2.76Å
677P29.7Very low42.6Very low130 Ų130127.8 Ų127.884%0.84476%0.761SS**PPolyproline II helixtrans-78.8119.9-179.630.5-32.9000111.5
678T26.1Very low45.2Very low130 Ų130122 Ų12280%0.79873%0.731SS**PPolyproline II helixtrans-66142.5171.623.30000112.2E676E676-T678 PolarHBondContact O-N 2.76Å
679P31.8Very low47.8Very low123 Ų123115.2 Ų115.280%0.79970%0.695SS**PPolyproline II helixtrans-71.7143.5178.428.8-34.1000112.3
680L31.2Very low50.4Low173 Ų173113.5 Ų113.591%0.90668%0.683SS**PPolyproline II helixtrans-65.7144.8177.9-84.181.3000112.4
681A33.9Very low52.7Low90 Ų90110.8 Ų110.874%0.74466%0.664SS**PPolyproline II helixtrans-69.8149171.200000112.1
682P43.9Very low54.7Low128 Ų128107.1 Ų107.183%0.83165%0.645SS**PPolyproline II helixtrans-70.5141.318028.5-34.6000112.7
683A57.9Low57Low64 Ų64100.6 Ų100.653%0.52962%0.616SS.*PPolyproline II helixtrans-63.7151.3176.900000112.7T685A683-T685 PolarHBondContact O-N 3.04Å
684P73.6Confident59.7Low82 Ų8296.2 Ų96.253%0.53257%0.571SS.*PPolyproline II helixtrans-64.2129.8179.226.9-34.6000111.5P794P684-P794 HydrophobicContact CB-CB 4.26Å; P684-P794 HydrophobicContact CG-CB 4.41Å
685T78.8Confident62.7Low93 Ų9393.9 Ų93.957%0.57154%0.542SS*.EExtended strand (participates in β ladder)trans-120.3146.4177.955.10000110.1A683 L698A683-T685 PolarHBondContact O-N 3.04Å; T685-L698 CarbonylContact C-O 3.53Å; T685-L698 WeakPolarHBondContact CA-O 3.5Å
686V86.8Confident65.7Low62 Ų6283.1 Ų83.138%0.37650%0.495SS..EExtended strand (participates in β ladder)trans-124.8129.4177.2173.80000109V688 T697 L698 P794V686-V688 PolarHBondContact O-N 2.7Å; V686-T697 CarbonylContact O-C 3.52Å; V686-T697 WeakPolarHBondContact O-CA 3.47Å; V686-L698 PolarHBondContact N-O 3.45Å; V686-L698 PolarHBondContact O-N 3.42Å; V686-P794 HydrophobicContact CB-CG 4.49Å; V686-P794 HydrophobicContact CG2-CB 3.86Å; V686-P794 HydrophobicContact CG2-CG 3.87Å
687T86.5Confident68.8Low77 Ų7776.1 Ų76.147%0.47247%0.465SS..EExtended strand (participates in β ladder)trans-74122.6171.1-53.60000109.5E690 T695T687-E690 HydrophobicContact CG2-CB 4.26Å; T687-T695 HydrophobicContact CG2-CG2 3.72Å
688V87.9Confident71.7Confident29 Ų2970 Ų7018%0.17643%0.425CS..EExtended strand (participates in β ladder)trans-104.8-34.1-176.3170.80000111.7V686 L696 L698 I773 V788 V790V686-V688 PolarHBondContact O-N 2.7Å; V688-L696 PolarHBondContact N-O 2.7Å; V688-L698 HydrophobicContact CG2-CB 3.62Å; V688-L698 HydrophobicContact CG2-CD1 3.96Å; V688-L698 HydrophobicContact CG2-CG 4.39Å; V688-I773 HydrophobicContact CG1-CD1 4.18Å; V688-V788 HydrophobicContact CG1-CB 4.39Å; V688-V788 HydrophobicContact CG1-CG1 3.68Å; V688-V788 WeakPolarHBondContact O-CG1 3.41Å; V688-V790 HydrophobicContact CB-CG2 4.44Å; V688-V790 HydrophobicContact CG1-CG2 3.47Å; V688-V790 VanDerWaalsContact CG1-CG2 3.47Å; V688-V790 HydrophobicContact CG2-CG2 4.04Å
689Y87.6Confident74.7Confident8 Ų865 Ų653%0.03140%0.395CS..EExtended strand (participates in β ladder)trans-140.5134.1178.4175.8-99.7000109.8K691 V694 T695 L696 V775 Y777 D786 V788Y689-K691 HydrophobicContact CE1-CB 4.26Å; Y689-K691 HydrophobicContact CE2-CB 4.1Å; Y689-K691 HydrophobicContact CE2-CD 3.83Å; Y689-K691 HydrophobicContact CE2-CG 3.92Å; Y689-V694 HydrophobicContact CD1-CG1 4.21Å; Y689-V694 HydrophobicContact CE1-CB 4.15Å; Y689-V694 HydrophobicContact CE1-CG1 4.05Å; Y689-T695 CarbonylContact O-C 3.58Å; Y689-T695 WeakPolarHBondContact O-CA 3.43Å; Y689-L696 PolarHBondContact N-O 2.93Å; Y689-L696 PolarHBondContact O-N 3.44Å; Y689-V775 HydrophobicContact CE1-CG1 4.49Å; Y689-Y777 HydrophobicContact CE1-CE1 4.29Å; Y689-Y777 PolarHBondContact OH-OH 3.31Å; Y689-D786 HydrophobicContact CD2-CB 4.47Å; Y689-D786 HydrophobicContact CE2-CB 3.53Å; Y689-D786 VanDerWaalsContact CE2-OD2 3.26Å; Y689-D786 WeakPolarHBondContact CE2-OD2 3.31Å; Y689-D786 PolarHBondContact OH-OD2 3.43Å; Y689-V788 HydrophobicContact CD2-CG2 3.66Å; Y689-V788 HydrophobicContact CG-CG2 4.35Å
690E88.3Confident77.4Confident138 Ų13860.2 Ų60.265%0.64536%0.364SS*.EExtended strand (participates in β ladder)trans-146.9101.1173.8-171.1171.2-175.500109.1T687 V694 T695T687-E690 HydrophobicContact CG2-CB 4.26Å; E690-V694 WeakPolarHBondContact CA-O 3.46Å; E690-T695 HydrophobicContact CG-CG2 4.45Å
691K84Confident79.9Confident101 Ų10158.3 Ų58.344%0.43935%0.351SS..EExtended strand (participates in β ladder)trans-152.5151175.1-65.6-170.8-168.4172.50110.4Y689 G693 V694 D786Y689-K691 HydrophobicContact CE1-CB 4.26Å; Y689-K691 HydrophobicContact CE2-CB 4.1Å; Y689-K691 HydrophobicContact CE2-CD 3.83Å; Y689-K691 HydrophobicContact CE2-CG 3.92Å; K691-G693 PolarHBondContact O-N 3.23Å; K691-G693 VanDerWaalsContact O-N 3.09Å; K691-V694 PolarHBondContact N-O 2.63Å; K691-V694 VanDerWaalsContact N-O 3.12Å; K691-V694 PolarHBondContact O-N 3.31Å; K691-D786 WeakPolarHBondContact CD-OD2 3.3Å; K691-D786 VanDerWaalsContact NZ-CG 3.35Å; K691-D786 IonicContact NZ-OD1 2.96Å; K691-D786 PolarHBondContact NZ-OD1 3.22Å; K691-D786 IonicContact NZ-OD2 2.84Å; K691-D786 PolarHBondContact NZ-OD2 2.97Å
692N80.6Confident82.1Confident93 Ų9359.5 Ų59.550%0.49734%0.341SS..THydrogen-bonded Turntrans51.432.8175.6-49.2-35.3000113.9V694 T718 Y777N692-V694 PolarHBondContact O-N 3.3Å; N692-T718 VanDerWaalsContact O-CG2 3.26Å; N692-T718 WeakPolarHBondContact O-CG2 3.36Å; N692-Y777 PolarHBondContact ND2-OH 3.27Å; N692-Y777 VanDerWaalsContact ND2-OH 3.13Å
693G78.8Confident83.5Confident22 Ų2259 Ų5923%0.22733%0.328CS..THydrogen-bonded Turntrans723.9-17500000115.6K691 N716 S717K691-G693 PolarHBondContact O-N 3.23Å; K691-G693 VanDerWaalsContact O-N 3.09Å; G693-N716 CarbonylContact O-C 3.59Å; G693-N716 WeakPolarHBondContact O-CA 3.33Å; G693-S717 WeakPolarHBondContact CA-OG 3.44Å; G693-S717 PolarHBondContact O-N 3.18Å; G693-S717 PolarHBondContact O-OG 2.99Å
694V87.4Confident84.2Confident0 Ų059.5 Ų59.50%033%0.327CS..EExtended strand (participates in β ladder)trans-91.9121.7169.1175.90000109.3Y689 E690 K691 N692 S715 I722 F725 Y777Y689-V694 HydrophobicContact CD1-CG1 4.21Å; Y689-V694 HydrophobicContact CE1-CB 4.15Å; Y689-V694 HydrophobicContact CE1-CG1 4.05Å; E690-V694 WeakPolarHBondContact CA-O 3.46Å; K691-V694 PolarHBondContact N-O 2.63Å; K691-V694 VanDerWaalsContact N-O 3.12Å; K691-V694 PolarHBondContact O-N 3.31Å; N692-V694 PolarHBondContact O-N 3.3Å; V694-S715 WeakPolarHBondContact CA-O 3.34Å; V694-I722 HydrophobicContact CG2-CD1 3.38Å; V694-F725 HydrophobicContact CG1-CE2 3.76Å; V694-F725 HydrophobicContact CG1-CZ 4.15Å; V694-Y777 HydrophobicContact CG2-CD2 4.27Å; V694-Y777 HydrophobicContact CG2-CE1 4.36Å; V694-Y777 HydrophobicContact CG2-CE2 3.8Å
695T89.1Confident84Confident24 Ų2462.9 Ų62.915%0.14734%0.336CS..EExtended strand (participates in β ladder)trans-111.9126.9172.5-44.20000109.7T687 Y689 E690 T697 A714 S715T687-T695 HydrophobicContact CG2-CG2 3.72Å; Y689-T695 CarbonylContact O-C 3.58Å; Y689-T695 WeakPolarHBondContact O-CA 3.43Å; E690-T695 HydrophobicContact CG-CG2 4.45Å; T695-T697 HydrophobicContact CG2-CG2 4.36Å; T695-A714 CarbonylContact O-C 3.59Å; T695-A714 WeakPolarHBondContact O-CA 3.37Å; T695-S715 PolarHBondContact N-O 3.26Å; T695-S715 PolarHBondContact O-N 3.48Å
696L89.8Confident83.7Confident0 Ų060.6 Ų60.60%032%0.324CS..EExtended strand (participates in β ladder)trans-111.9116.1172.9-172.371.6000109.2V688 Y689 L712 T713 A714 L727 I773 V775V688-L696 PolarHBondContact N-O 2.7Å; Y689-L696 PolarHBondContact N-O 2.93Å; Y689-L696 PolarHBondContact O-N 3.44Å; L696-L712 HydrophobicContact CD1-CB 4.29Å; L696-T713 WeakPolarHBondContact CA-O 3.32Å; L696-A714 HydrophobicContact CD1-CB 3.81Å; L696-L727 HydrophobicContact CD1-CD1 4.08Å; L696-L727 HydrophobicContact CD1-CD2 4.32Å; L696-L727 HydrophobicContact CD2-CD2 4.26Å; L696-I773 HydrophobicContact CD2-CD1 4.27Å; L696-I773 HydrophobicContact CD2-CG2 4.31Å; L696-V775 HydrophobicContact CD2-CG2 4.29Å
697T90.7Very high83.5Confident32 Ų3258.4 Ų58.420%0.19631%0.313CS..EExtended strand (participates in β ladder)trans-105.6150.3172.260.90000111.2V686 T695 T713V686-T697 CarbonylContact O-C 3.52Å; V686-T697 WeakPolarHBondContact O-CA 3.47Å; T695-T697 HydrophobicContact CG2-CG2 4.36Å; T697-T713 PolarHBondContact N-O 3.43Å; T697-T713 PolarHBondContact O-N 3.44Å; T697-T713 PolarHBondContact OG1-O 3.5Å
698L90.9Very high83.5Confident1 Ų155.2 Ų55.21%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-125.1128.3-176.5-178.4156.9000108.8T685 V686 V688 C700 V710 T711 L712 M771 V790 F793 P794T685-L698 CarbonylContact C-O 3.53Å; T685-L698 WeakPolarHBondContact CA-O 3.5Å; V686-L698 PolarHBondContact N-O 3.45Å; V686-L698 PolarHBondContact O-N 3.42Å; V688-L698 HydrophobicContact CG2-CB 3.62Å; V688-L698 HydrophobicContact CG2-CD1 3.96Å; V688-L698 HydrophobicContact CG2-CG 4.39Å; L698-C700 WeakPolarHBondContact CD2-SG 3.46Å; L698-V710 HydrophobicContact CD1-CG1 3.76Å; L698-V710 HydrophobicContact CD2-CG1 3.89Å; L698-V710 HydrophobicContact CG-CG1 3.52Å; L698-T711 WeakPolarHBondContact CA-O 3.33Å; L698-L712 HydrophobicContact CB-CD2 4.13Å; L698-L712 HydrophobicContact CD1-CD2 3.85Å; L698-L712 HydrophobicContact CG-CD2 4.04Å; L698-M771 HydrophobicContact CD1-CE 3.94Å; L698-V790 HydrophobicContact CD1-CG1 4.14Å; L698-V790 HydrophobicContact CD1-CG2 4.25Å; L698-F793 HydrophobicContact CD2-CD1 4.45Å; L698-P794 HydrophobicContact CD2-CG 4Å
699S89.8Confident83.6Confident25 Ų2554 Ų5418%0.17529%0.286CS..EExtended strand (participates in β ladder)trans-121.2154.7166.160.50000110.7V710 T711S699-V710 CarbonylContact O-C 3.55Å; S699-V710 WeakPolarHBondContact O-CA 3.36Å; S699-T711 PolarHBondContact N-O 2.81Å; S699-T711 PolarHBondContact O-N 3.48Å
700C87.4Confident83.7Confident22 Ų2253.6 Ų53.615%0.14929%0.285CS..EExtended strand (participates in β ladder)trans-126.7145.9179.8-63.30000111.8L698 L708 T709 P794L698-C700 WeakPolarHBondContact CD2-SG 3.46Å; C700-L708 HydrophobicContact CB-CD1 4.07Å; C700-T709 CarbonylContact C-O 3.52Å; C700-T709 WeakPolarHBondContact CA-O 3.38Å; C700-P794 HydrophobicContact CB-CG 4.45Å; C700-P794 WeakPolarHBondContact CB-O 3.35Å
701E84.8Confident83.8Confident133 Ų13348.9 Ų48.962%0.62127%0.265SS*.EExtended strand (participates in β ladder)trans-135121.5173.3-173.4176.7-163.100108.6Q703 T709E701-Q703 PolarHBondContact O-N 3.35Å; E701-T709 PolarHBondContact N-O 3.46Å; E701-T709 PolarHBondContact O-N 3.18Å
702Q80Confident84.2Confident115 Ų11544.1 Ų44.154%0.53724%0.244SC..EExtended strand (participates in β ladder)trans-82.9116.1179.1-172.6173.425.400109.9S704 L708Q702-S704 WeakPolarHBondContact CG-O 3.47Å; Q702-S704 PolarHBondContact NE2-O 2.98Å; Q702-L708 HydrophobicContact CB-CD1 4.45Å
703Q72.5Confident84.7Confident119 Ų11940.8 Ų40.856%0.55623%0.228SC*.EExtended strand (participates in β ladder)trans-91.7-23.6179.3-69.7-174.5-15.600112.8E701 G707 T709E701-Q703 PolarHBondContact O-N 3.35Å; Q703-G707 PolarHBondContact N-O 3.33Å; Q703-T709 PolarHBondContact NE2-OG1 2.93Å; Q703-T709 PolarHBondContact OE1-OG1 2.72Å
704S72.9Confident85.2Confident74 Ų7439.8 Ų39.852%0.51722%0.217SC..EExtended strand (participates in β ladder)trans-163.8170-178.2-70.60000111Q702 S706 G707Q702-S704 WeakPolarHBondContact CG-O 3.47Å; Q702-S704 PolarHBondContact NE2-O 2.98Å; S704-S706 PolarHBondContact O-N 3.45Å; S704-G707 PolarHBondContact N-O 3.19Å; S704-G707 VanDerWaalsContact N-O 3.15Å; S704-G707 PolarHBondContact O-N 3.46Å; S704-G707 VanDerWaalsContact O-N 3.1Å
705E68.8Low85.3Confident152 Ų15240.9 Ų40.971%0.7123%0.225SC*.THydrogen-bonded Turntrans-54.9-25.1176.6-90.9-156.1-155.200114.9K766E705-K766 IonicContact OE2-NZ 3.14Å; E705-K766 PolarHBondContact OE2-NZ 2.96Å
706S73.3Confident85.4Confident46 Ų4639.9 Ų39.932%0.32222%0.218SC..THydrogen-bonded Turntrans-117.5-3.9175.169.60000114S704 N762 N763S704-S706 PolarHBondContact O-N 3.45Å; S706-N762 CarbonylContact O-C 3.4Å; S706-N762 WeakPolarHBondContact O-CA 3.37Å; S706-N762 PolarHBondContact O-OD1 3.23Å; S706-N762 PolarHBondContact OG-OD1 2.86Å; S706-N763 PolarHBondContact O-N 3.22Å
707G83.3Confident85.2Confident15 Ų1543.5 Ų43.516%0.15524%0.244CC..EExtended strand (participates in β ladder)trans-113.8118.3-169.400000112.2Q703 S704Q703-G707 PolarHBondContact N-O 3.33Å; S704-G707 PolarHBondContact N-O 3.19Å; S704-G707 VanDerWaalsContact N-O 3.15Å; S704-G707 PolarHBondContact O-N 3.46Å; S704-G707 VanDerWaalsContact O-N 3.1Å
708L86.6Confident84.8Confident11 Ų1143.3 Ų43.36%0.05824%0.243CC..EExtended strand (participates in β ladder)trans-119.3134.5177.9-172.376000110C700 Q702 V710 L761 L769 F793 L796C700-L708 HydrophobicContact CB-CD1 4.07Å; Q702-L708 HydrophobicContact CB-CD1 4.45Å; L708-V710 HydrophobicContact CD2-CG2 3.58Å; L708-V710 HydrophobicContact CG-CG2 4.05Å; L708-L761 HydrophobicContact CB-CB 4.38Å; L708-L761 HydrophobicContact CD2-CD1 4.3Å; L708-L761 PolarHBondContact N-O 2.9Å; L708-L761 PolarHBondContact O-N 3.18Å; L708-L769 HydrophobicContact CD2-CD1 4.27Å; L708-F793 HydrophobicContact CD2-CD1 4.07Å; L708-L796 HydrophobicContact CD1-CD1 3.5Å; L708-L796 HydrophobicContact CD1-CG 4.17Å; L708-L796 HydrophobicContact CD2-CD1 3.37Å; L708-L796 HydrophobicContact CG-CD1 3.98Å
709T89Confident84.3Confident3 Ų349.4 Ų49.42%0.01828%0.275CS..EExtended strand (participates in β ladder)trans-106.8129.1167.3-72.90000109.5C700 E701 Q703 L758C700-T709 CarbonylContact C-O 3.52Å; C700-T709 WeakPolarHBondContact CA-O 3.38Å; E701-T709 PolarHBondContact N-O 3.46Å; E701-T709 PolarHBondContact O-N 3.18Å; Q703-T709 PolarHBondContact NE2-OG1 2.93Å; Q703-T709 PolarHBondContact OE1-OG1 2.72Å; T709-L758 HydrophobicContact CG2-CD1 3.4Å; T709-L758 HydrophobicContact CG2-CD2 4.03Å; T709-L758 HydrophobicContact CG2-CG 3.74Å
710V89.9Confident83.8Confident0 Ų050.6 Ų50.60%028%0.284CS..EExtended strand (participates in β ladder)trans-116.8123.9-179.2-174.90000108.4L698 S699 L708 L712 V759 L761 M771 F793L698-V710 HydrophobicContact CD1-CG1 3.76Å; L698-V710 HydrophobicContact CD2-CG1 3.89Å; L698-V710 HydrophobicContact CG-CG1 3.52Å; S699-V710 CarbonylContact O-C 3.55Å; S699-V710 WeakPolarHBondContact O-CA 3.36Å; L708-V710 HydrophobicContact CD2-CG2 3.58Å; L708-V710 HydrophobicContact CG-CG2 4.05Å; V710-L712 HydrophobicContact CG1-CD2 4.45Å; V710-V759 HydrophobicContact CB-CB 4.25Å; V710-V759 PolarHBondContact N-O 3.07Å; V710-V759 PolarHBondContact O-N 3.18Å; V710-L761 HydrophobicContact CG2-CD1 4.03Å; V710-L761 HydrophobicContact CG2-CG 4.42Å; V710-M771 HydrophobicContact CG1-CE 4.4Å; V710-F793 HydrophobicContact CG2-CD1 4.25Å; V710-F793 HydrophobicContact CG2-CE1 4.22Å
711T90.8Very high83.6Confident39 Ų3955 Ų5524%0.23931%0.306CS..EExtended strand (participates in β ladder)trans-101.9115175.2-53.70000108.9L698 S699 L758L698-T711 WeakPolarHBondContact CA-O 3.33Å; S699-T711 PolarHBondContact N-O 2.81Å; S699-T711 PolarHBondContact O-N 3.48Å; T711-L758 WeakPolarHBondContact OG1-CD1 3.35Å
712L91.2Very high83.6Confident0 Ų048.8 Ų48.80%028%0.277CS..EExtended strand (participates in β ladder)trans-90.6124.2171.6-64.1176.3000108.5L696 L698 V710 L727 T756 Q757 V759 I773L696-L712 HydrophobicContact CD1-CB 4.29Å; L698-L712 HydrophobicContact CB-CD2 4.13Å; L698-L712 HydrophobicContact CD1-CD2 3.85Å; L698-L712 HydrophobicContact CG-CD2 4.04Å; V710-L712 HydrophobicContact CG1-CD2 4.45Å; L712-L727 HydrophobicContact CB-CD1 4.19Å; L712-L727 HydrophobicContact CD1-CD1 4.14Å; L712-T756 CarbonylContact O-C 3.54Å; L712-T756 WeakPolarHBondContact O-CA 3.36Å; L712-Q757 PolarHBondContact N-O 3.46Å; L712-Q757 PolarHBondContact O-N 3.47Å; L712-V759 HydrophobicContact CD1-CG2 3.8Å; L712-V759 HydrophobicContact CG-CG2 4.14Å; L712-I773 HydrophobicContact CD1-CD1 4.19Å; L712-I773 HydrophobicContact CD2-CD1 3.81Å
713T91.1Very high83.7Confident24 Ų2446.4 Ų46.415%0.14727%0.273CS..EExtended strand (participates in β ladder)trans-121.9115.1178.8-56.10000109.8L696 T697 K754 L755 T756L696-T713 WeakPolarHBondContact CA-O 3.32Å; T697-T713 PolarHBondContact N-O 3.43Å; T697-T713 PolarHBondContact O-N 3.44Å; T697-T713 PolarHBondContact OG1-O 3.5Å; T713-K754 HydrophobicContact CG2-CB 3.93Å; T713-K754 HydrophobicContact CG2-CD 3.81Å; T713-K754 HydrophobicContact CG2-CG 4.47Å; T713-L755 CarbonylContact C-O 3.56Å; T713-L755 VanDerWaalsContact CA-O 3.31Å; T713-L755 WeakPolarHBondContact CA-O 3.41Å; T713-T756 HydrophobicContact CG2-CG2 4.06Å
714A90.8Very high84.2Confident0 Ų042.8 Ų42.80%027%0.268CS..EExtended strand (participates in β ladder)trans-102.3142.8175.800000111.7T695 L696 F725 L747 K754 L755T695-A714 CarbonylContact O-C 3.59Å; T695-A714 WeakPolarHBondContact O-CA 3.37Å; L696-A714 HydrophobicContact CD1-CB 3.81Å; A714-F725 HydrophobicContact CB-CE1 3.81Å; A714-F725 HydrophobicContact CB-CZ 3.74Å; A714-L747 HydrophobicContact CB-CD1 3.97Å; A714-L747 HydrophobicContact CB-CD2 4.24Å; A714-L747 WeakPolarHBondContact O-CD2 3.24Å; A714-K754 CarbonylContact O-C 3.6Å; A714-K754 WeakPolarHBondContact O-CA 3.32Å; A714-K754 WeakPolarHBondContact O-CB 3.32Å; A714-L755 HydrophobicContact CB-CB 4.31Å; A714-L755 HydrophobicContact CB-CD2 4.46Å; A714-L755 PolarHBondContact N-O 3.33Å; A714-L755 PolarHBondContact O-N 3.1Å
715S89.6Confident84.8Confident24 Ų2439.5 Ų39.517%0.16824%0.244CC..EExtended strand (participates in β ladder)trans-138.2149.3173.751.70000110.8V694 T695V694-S715 WeakPolarHBondContact CA-O 3.34Å; T695-S715 PolarHBondContact N-O 3.26Å; T695-S715 PolarHBondContact O-N 3.48Å
716N90.3Very high85.7Confident2 Ų235.6 Ų35.61%0.01123%0.231CC..EExtended strand (participates in β ladder)trans-116119-179.416822.8000109.4G693 T718 S720 I722 L747 P748 G751G693-N716 CarbonylContact O-C 3.59Å; G693-N716 WeakPolarHBondContact O-CA 3.33Å; N716-T718 PolarHBondContact ND2-OG1 2.9Å; N716-T718 WeakPolarHBondContact OD1-CB 3.4Å; N716-T718 WeakPolarHBondContact OD1-CG2 3.27Å; N716-T718 PolarHBondContact OD1-N 3.19Å; N716-T718 PolarHBondContact OD1-OG1 3.2Å; N716-S720 PolarHBondContact ND2-O 2.74Å; N716-I722 HydrophobicContact CB-CD1 4.2Å; N716-L747 HydrophobicContact CB-CB 3.79Å; N716-L747 HydrophobicContact CB-CD1 4.4Å; N716-L747 PolarHBondContact ND2-O 3.25Å; N716-P748 PolarHBondContact ND2-O 2.74Å; N716-G751 VanDerWaalsContact O-CA 3.27Å; N716-G751 WeakPolarHBondContact O-CA 3.39Å; N716-G751 PolarHBondContact O-N 3.49Å
717S85.8Confident86.5Confident77 Ų7734 Ų3454%0.53822%0.219SC..  trans-98.19178.675.50000113.7G693G693-S717 WeakPolarHBondContact CA-OG 3.44Å; G693-S717 PolarHBondContact O-N 3.18Å; G693-S717 PolarHBondContact O-OG 2.99Å
718T83.1Confident86.7Confident28 Ų2838 Ų3817%0.17223%0.233CC..SBendtrans-85.6165.9177.471.60000112N692 N716 S720 A749 H750N692-T718 VanDerWaalsContact O-CG2 3.26Å; N692-T718 WeakPolarHBondContact O-CG2 3.36Å; N716-T718 PolarHBondContact ND2-OG1 2.9Å; N716-T718 WeakPolarHBondContact OD1-CB 3.4Å; N716-T718 WeakPolarHBondContact OD1-CG2 3.27Å; N716-T718 PolarHBondContact OD1-N 3.19Å; N716-T718 PolarHBondContact OD1-OG1 3.2Å; T718-S720 PolarHBondContact O-N 3.15Å; T718-S720 PolarHBondContact OG1-O 3.41Å; T718-S720 VanDerWaalsContact OG1-O 3.07Å; T718-A749 VanDerWaalsContact O-CA 3.26Å; T718-A749 WeakPolarHBondContact O-CA 3.43Å; T718-A749 VanDerWaalsContact O-CB 3.29Å; T718-A749 WeakPolarHBondContact O-CB 3.26Å; T718-H750 PolarHBondContact O-N 3.39Å
719D79.1Confident86.9Confident128 Ų12838.5 Ų38.568%0.68424%0.239SC*.SBendtrans-82.817.1179.3-52.5-23.3000112.8H750D719-H750 IonicContact OD1-CE1 2.85Å; D719-H750 PolarHBondContact OD1-CE1 3.33Å; D719-H750 IonicContact OD1-ND1 2.81Å; D719-H750 PolarHBondContact OD1-ND1 2.96Å
720S79.9Confident86.8Confident51 Ų5140.1 Ų40.136%0.35725%0.252SS..SBendtrans-146.7144.7-177.1-620000111.6N716 T718N716-S720 PolarHBondContact ND2-O 2.74Å; T718-S720 PolarHBondContact O-N 3.15Å; T718-S720 PolarHBondContact OG1-O 3.41Å; T718-S720 VanDerWaalsContact OG1-O 3.07Å
721D82.4Confident86.7Confident115 Ų11541.7 Ų41.762%0.61526%0.262SS*.  trans-69.9135.9178.6-66-15000110.9P748 A749D721-P748 VanDerWaalsContact OD1-CA 3.25Å; D721-P748 WeakPolarHBondContact OD1-CA 3.2Å; D721-A749 PolarHBondContact OD1-N 3.48Å
722I84.6Confident86.4Confident1 Ų142.2 Ų42.21%0.00527%0.266CS..BIsolated β-bridgetrans-100.1126.5178-72.2174.5000108.7V694 N716 F725 S746 L747 Y777 C779V694-I722 HydrophobicContact CG2-CD1 3.38Å; N716-I722 HydrophobicContact CB-CD1 4.2Å; I722-F725 HydrophobicContact CG2-CD2 4.17Å; I722-S746 CarbonylContact O-C 3.56Å; I722-S746 VanDerWaalsContact O-CA 3.27Å; I722-S746 WeakPolarHBondContact O-CA 3.37Å; I722-L747 HydrophobicContact CB-CB 4.17Å; I722-L747 PolarHBondContact N-O 2.93Å; I722-L747 PolarHBondContact O-N 2.82Å; I722-Y777 HydrophobicContact CD1-CD2 4.22Å; I722-Y777 HydrophobicContact CD1-CE2 4.3Å; I722-Y777 HydrophobicContact CG2-CD2 3.66Å; I722-Y777 HydrophobicContact CG2-CG 4.01Å; I722-C779 HydrophobicContact CD1-CB 4.46Å; I722-C779 HydrophobicContact CG1-CB 4.24Å
723S83.9Confident85.9Confident65 Ų6551.7 Ų51.746%0.45531%0.307SS..EExtended strand (participates in β ladder)trans-115.1155.9-174.862.20000112.8F725 T778S723-F725 VanDerWaalsContact C-N 3.33Å; S723-F725 PolarHBondContact O-N 2.93Å; S723-T778 PolarHBondContact N-O 3.29Å; S723-T778 WeakPolarHBondContact O-CB 3.47Å; S723-T778 PolarHBondContact O-N 3.32Å
724G81.3Confident85.2Confident44 Ų4452.6 Ų52.645%0.45432%0.315SS..EExtended strand (participates in β ladder)trans65.834.5-178.100000113.1T726 D745G724-T726 PolarHBondContact O-N 2.8Å; G724-D745 PolarHBondContact N-O 3.31Å
725F85.8Confident84.9Confident4 Ų453.1 Ų53.12%0.01832%0.318CS..EExtended strand (participates in β ladder)trans-73118.3-178.4-166-84.8000110.5V694 A714 I722 S723 L727 D745 L747 L755 V775 Y777V694-F725 HydrophobicContact CG1-CE2 3.76Å; V694-F725 HydrophobicContact CG1-CZ 4.15Å; A714-F725 HydrophobicContact CB-CE1 3.81Å; A714-F725 HydrophobicContact CB-CZ 3.74Å; I722-F725 HydrophobicContact CG2-CD2 4.17Å; S723-F725 VanDerWaalsContact C-N 3.33Å; S723-F725 PolarHBondContact O-N 2.93Å; F725-L727 HydrophobicContact CD1-CG 4.45Å; F725-L727 HydrophobicContact CE1-CD1 4.17Å; F725-L727 HydrophobicContact CE1-CD2 3.74Å; F725-L727 HydrophobicContact CE1-CG 3.76Å; F725-L727 HydrophobicContact CZ-CD2 4.11Å; F725-D745 PolarHBondContact N-O 3.37Å; F725-L747 HydrophobicContact CD1-CD1 4.36Å; F725-L747 HydrophobicContact CD2-CD1 3.42Å; F725-L747 VanDerWaalsContact CD2-CD1 3.42Å; F725-L747 HydrophobicContact CD2-CG 4.23Å; F725-L747 HydrophobicContact CE1-CD1 4.38Å; F725-L747 HydrophobicContact CE2-CD1 3.5Å; F725-L747 VanDerWaalsContact CE2-CD1 3.5Å; F725-L747 HydrophobicContact CG-CD1 3.89Å; F725-L747 HydrophobicContact CG-CG 4.28Å; F725-L747 HydrophobicContact CZ-CD1 3.98Å; F725-L755 HydrophobicContact CB-CD1 4.2Å; F725-L755 HydrophobicContact CD1-CD1 3.48Å; F725-L755 VanDerWaalsContact CD1-CD1 3.48Å; F725-L755 HydrophobicContact CD1-CD2 4.38Å; F725-L755 HydrophobicContact CE1-CD1 4.21Å; F725-L755 HydrophobicContact CE1-CD2 4.39Å; F725-L755 HydrophobicContact CG-CD1 4.12Å; F725-V775 HydrophobicContact CE1-CG1 4.41Å; F725-V775 HydrophobicContact CE2-CG1 3.83Å; F725-V775 HydrophobicContact CZ-CG1 3.58Å; F725-Y777 HydrophobicContact CD2-CD1 4.32Å; F725-Y777 HydrophobicContact CD2-CG 4.08Å; F725-Y777 HydrophobicContact CE2-CD1 4.07Å; F725-Y777 HydrophobicContact CE2-CG 4.25Å
726T87.4Confident84.7Confident70 Ų7058.2 Ų58.243%0.42934%0.339SS..EExtended strand (participates in β ladder)trans-133.4137.2-176.949.70000111.1G724 S776G724-T726 PolarHBondContact O-N 2.8Å; T726-S776 PolarHBondContact N-O 3.36Å; T726-S776 PolarHBondContact O-N 3.23Å; T726-S776 WeakPolarHBondContact OG1-CB 3.35Å; T726-S776 PolarHBondContact OG1-O 2.88Å
727L90.1Very high84.7Confident13 Ų1360.7 Ų60.77%0.06835%0.352CS..EExtended strand (participates in β ladder)trans-114.9132.1173.2-60.7171.2000109L696 L712 F725 M739 L755 Q757 I773 R774 V775L696-L727 HydrophobicContact CD1-CD1 4.08Å; L696-L727 HydrophobicContact CD1-CD2 4.32Å; L696-L727 HydrophobicContact CD2-CD2 4.26Å; L712-L727 HydrophobicContact CB-CD1 4.19Å; L712-L727 HydrophobicContact CD1-CD1 4.14Å; F725-L727 HydrophobicContact CD1-CG 4.45Å; F725-L727 HydrophobicContact CE1-CD1 4.17Å; F725-L727 HydrophobicContact CE1-CD2 3.74Å; F725-L727 HydrophobicContact CE1-CG 3.76Å; F725-L727 HydrophobicContact CZ-CD2 4.11Å; L727-M739 HydrophobicContact CB-CE 4.18Å; L727-M739 WeakPolarHBondContact O-CE 3.27Å; L727-L755 HydrophobicContact CD1-CD2 4.31Å; L727-Q757 HydrophobicContact CD1-CB 4.45Å; L727-I773 HydrophobicContact CD2-CG2 4.19Å; L727-R774 WeakPolarHBondContact CA-O 3.36Å; L727-V775 HydrophobicContact CD2-CB 4.24Å; L727-V775 HydrophobicContact CD2-CG1 3.96Å; L727-V775 HydrophobicContact CD2-CG2 3.83Å
728Q88.4Confident84.8Confident99 Ų9963.4 Ų63.446%0.46336%0.356SS..EExtended strand (participates in β ladder)trans-121.3141.4168.9-60.5175.8-18.400108.2I773 R774Q728-I773 CarbonylContact O-C 3.59Å; Q728-I773 VanDerWaalsContact O-CA 3.31Å; Q728-I773 WeakPolarHBondContact O-CA 3.43Å; Q728-R774 HydrophobicContact CB-CB 4.29Å; Q728-R774 PolarHBondContact N-O 3.23Å; Q728-R774 PolarHBondContact O-N 3.23Å
729A89.6Confident85.1Confident22 Ų2264.4 Ų64.418%0.18236%0.36CS..EExtended strand (participates in β ladder)trans-131.5138.9-178.700000111.3L737 M739 M771 R772A729-L737 HydrophobicContact CB-CD1 3.84Å; A729-M739 HydrophobicContact CB-CE 4.2Å; A729-M739 HydrophobicContact CB-CG 4.42Å; A729-M739 HydrophobicContact CB-SD 3.71Å; A729-M771 HydrophobicContact CB-CG 4.22Å; A729-M771 HydrophobicContact CB-SD 4.05Å; A729-R772 CarbonylContact C-O 3.55Å; A729-R772 VanDerWaalsContact CA-O 3.31Å; A729-R772 WeakPolarHBondContact CA-O 3.47Å
730A87.4Confident85.6Confident36 Ų3665.8 Ų65.830%0.29836%0.355SS..EExtended strand (participates in β ladder)trans-131.6141.2178.800000111.2L635 M771 R772L635-A730 HydrophobicContact CD2-CB 3.74Å; A730-M771 CarbonylContact O-C 3.49Å; A730-M771 WeakPolarHBondContact O-CA 3.19Å; A730-R772 PolarHBondContact N-O 2.89Å; A730-R772 PolarHBondContact O-N 3.3Å
731V88.8Confident85.7Confident34 Ų3467.6 Ų67.621%0.20637%0.373CS..  trans-131.7163.8-179.9-67.30000110.3V735 L737 L761 M771V731-V735 HydrophobicContact CB-CB 4.31Å; V731-V735 HydrophobicContact CB-CG1 4.43Å; V731-V735 HydrophobicContact CG2-CB 4.02Å; V731-V735 HydrophobicContact CG2-CG1 4.11Å; V731-L737 HydrophobicContact CB-CD1 4.5Å; V731-L737 HydrophobicContact CG1-CD1 3.72Å; V731-L737 HydrophobicContact CG2-CB 3.61Å; V731-L737 HydrophobicContact CG2-CD1 4.1Å; V731-L761 HydrophobicContact CG1-CD2 4.15Å; V731-M771 HydrophobicContact CG1-CB 4.05Å; V731-M771 HydrophobicContact CG1-CG 4.08Å
732P83Confident85.9Confident49 Ų4964.7 Ų64.732%0.31836%0.36SS..  trans-54.8147174.1-27.235000113S734 V735 K770P732-S734 PolarHBondContact O-N 3.17Å; P732-V735 PolarHBondContact O-N 3.47Å; P732-K770 VanDerWaalsContact CD-O 3.23Å; P732-K770 WeakPolarHBondContact CD-O 3.49Å
733K81.1Confident86Confident200 Ų20067.6 Ų67.687%0.8738%0.381SS*.THydrogen-bonded Turntrans-56.5-14-179-64.6-175.3178.9-1790115.1
734S77.3Confident85.9Confident43 Ų4368.6 Ų68.630%0.30138%0.375SS..THydrogen-bonded Turntrans-84-5.6175.652.20000114.5P732P732-S734 PolarHBondContact O-N 3.17Å
735V84.8Confident85.8Confident11 Ų1171.7 Ų71.77%0.06738%0.381CS..SBendtrans-120.9133.6-179.4-1780000108.6V731 P732 L761 N762 N763 L769V731-V735 HydrophobicContact CB-CB 4.31Å; V731-V735 HydrophobicContact CB-CG1 4.43Å; V731-V735 HydrophobicContact CG2-CB 4.02Å; V731-V735 HydrophobicContact CG2-CG1 4.11Å; P732-V735 PolarHBondContact O-N 3.47Å; V735-L761 HydrophobicContact CG1-CB 4.47Å; V735-N762 WeakPolarHBondContact CG1-O 3.13Å; V735-N763 HydrophobicContact CG1-CB 4.37Å; V735-N763 HydrophobicContact CG2-CB 4.31Å; V735-L769 HydrophobicContact CG1-CD2 4.04Å; V735-L769 HydrophobicContact CG2-CD2 4.22Å
736Q85.1Confident85.7Confident130 Ų13073.8 Ų73.861%0.60740%0.396SS*.EExtended strand (participates in β ladder)trans-88.4135.7172.7-65.5172-26.600109.4L761 N762Q736-L761 WeakPolarHBondContact O-CA 3.12Å; Q736-N762 HydrophobicContact CB-CB 4.27Å; Q736-N762 PolarHBondContact N-O 3.38Å; Q736-N762 PolarHBondContact O-N 3.34Å; Q736-N762 PolarHBondContact OE1-ND2 2.99Å
737L90.6Very high85.6Confident55 Ų5570.5 Ų70.529%0.28838%0.376SS..EExtended strand (participates in β ladder)trans-125.6133.3179.1170.3153.1000110A729 V731 M739 V759 L761 M771A729-L737 HydrophobicContact CB-CD1 3.84Å; V731-L737 HydrophobicContact CB-CD1 4.5Å; V731-L737 HydrophobicContact CG1-CD1 3.72Å; V731-L737 HydrophobicContact CG2-CB 3.61Å; V731-L737 HydrophobicContact CG2-CD1 4.1Å; L737-M739 HydrophobicContact CD2-CG 3.78Å; L737-V759 HydrophobicContact CD1-CG1 3.95Å; L737-V759 HydrophobicContact CG-CG1 3.91Å; L737-L761 HydrophobicContact CB-CD2 3.75Å; L737-L761 HydrophobicContact CD1-CD2 3.71Å; L737-L761 HydrophobicContact CG-CD2 3.77Å; L737-M771 HydrophobicContact CD1-SD 4.46Å
738Q87.9Confident85.2Confident134 Ų13471.9 Ų71.963%0.62639%0.386SS*.EExtended strand (participates in β ladder)trans-130.8110.8172.3-170.81791500109.7V760Q738-V760 PolarHBondContact N-O 3.43Å; Q738-V760 PolarHBondContact O-N 3.13Å
739M88.9Confident84.9Confident49 Ų4968.1 Ų68.124%0.24137%0.371CS..EExtended strand (participates in β ladder)trans-83.8131.3171.6-67.2-96.4-78.200109.2L727 A729 L737 V759L727-M739 HydrophobicContact CB-CE 4.18Å; L727-M739 WeakPolarHBondContact O-CE 3.27Å; A729-M739 HydrophobicContact CB-CE 4.2Å; A729-M739 HydrophobicContact CB-CG 4.42Å; A729-M739 HydrophobicContact CB-SD 3.71Å; L737-M739 HydrophobicContact CD2-CG 3.78Å; M739-V759 HydrophobicContact CG-CG1 4.15Å; M739-V759 HydrophobicContact SD-CB 4.2Å; M739-V759 HydrophobicContact SD-CG1 3.85Å; M739-V759 HydrophobicContact SD-CG2 3.44Å; M739-V759 WeakPolarHBondContact SD-CG2 3.45Å
740R88.9Confident84.2Confident156 Ų15673.6 Ų73.659%0.58939%0.393SS*.PPolyproline II helixtrans-81.6164.9165.5-64.1-164.4177.8-171.4-1110.3Q757 L758R740-Q757 WeakPolarHBondContact O-CG 3.35Å; R740-Q757 PolarHBondContact O-NE2 3.34Å; R740-L758 HydrophobicContact CB-CB 4.22Å; R740-L758 HydrophobicContact CG-CB 4.25Å; R740-L758 PolarHBondContact N-O 3.09Å
741A83.1Confident83.2Confident89 Ų8973.7 Ų73.774%0.73640%0.397SS*.PPolyproline II helixtrans-58.2142.7170.700000110.7
742P86.5Confident82.4Confident54 Ų5474.2 Ų74.235%0.35141%0.41SS..PPolyproline II helixtrans-69.7156.1174.431.9-35.7000110.7R744 L755 Q757P742-R744 PolarHBondContact O-N 2.96Å; P742-L755 HydrophobicContact CB-CD2 4.18Å; P742-L755 HydrophobicContact CB-CG 4.38Å; P742-Q757 HydrophobicContact CB-CB 4.26Å; P742-Q757 HydrophobicContact CB-CG 4.24Å
743S85.8Confident82.1Confident63 Ų6374 Ų7444%0.44141%0.412SS..SBendtrans-66.4-18179.873.50000114.5T756S743-T756 WeakPolarHBondContact CB-O 3.42Å; S743-T756 PolarHBondContact N-O 3.4Å; S743-T756 PolarHBondContact OG-N 3.19Å
744R82.3Confident82.3Confident85 Ų8569.8 Ų69.832%0.32139%0.394SS..  trans-165.7165.8-176.566-173.186.2-118.17.7109.4P742 S746 A753 K754 L755P742-R744 PolarHBondContact O-N 2.96Å; R744-S746 WeakPolarHBondContact CD-O 3.38Å; R744-S746 VanDerWaalsContact CG-O 3.23Å; R744-S746 WeakPolarHBondContact CG-O 3.5Å; R744-A753 VanDerWaalsContact CZ-O 3.27Å; R744-A753 PolarHBondContact NE-O 3.16Å; R744-A753 VanDerWaalsContact NE-O 3.12Å; R744-A753 VanDerWaalsContact NH1-CB 3.34Å; R744-K754 VanDerWaalsContact CZ-O 3.24Å; R744-K754 VanDerWaalsContact NE-C 3.34Å; R744-K754 PolarHBondContact NE-O 3.34Å; R744-K754 PolarHBondContact NH2-O 2.93Å; R744-L755 HydrophobicContact CG-CB 3.67Å; R744-L755 HydrophobicContact CG-CD1 3.88Å; R744-L755 HydrophobicContact CG-CG 3.79Å; R744-L755 WeakPolarHBondContact O-CD1 3.42Å
745D79.6Confident82.9Confident110 Ų11067.8 Ų67.859%0.58838%0.38SS*.SBendtrans-108.9-1.917962.1-8.2000113.8G724 F725G724-D745 PolarHBondContact N-O 3.31Å; F725-D745 PolarHBondContact N-O 3.37Å
746S83.8Confident83.1Confident48 Ų4870.2 Ų70.234%0.33640%0.395SS..  trans-138.1145.9-173.341.90000110.8I722 R744I722-S746 CarbonylContact O-C 3.56Å; I722-S746 VanDerWaalsContact O-CA 3.27Å; I722-S746 WeakPolarHBondContact O-CA 3.37Å; R744-S746 WeakPolarHBondContact CD-O 3.38Å; R744-S746 VanDerWaalsContact CG-O 3.23Å; R744-S746 WeakPolarHBondContact CG-O 3.5Å
747L83.8Confident83.3Confident1 Ų164.8 Ų64.81%0.00537%0.369CS..BIsolated β-bridgetrans-116.1107.4-179.9-81.4175.9000110.2A714 N716 I722 F725 L755A714-L747 HydrophobicContact CB-CD1 3.97Å; A714-L747 HydrophobicContact CB-CD2 4.24Å; A714-L747 WeakPolarHBondContact O-CD2 3.24Å; N716-L747 HydrophobicContact CB-CB 3.79Å; N716-L747 HydrophobicContact CB-CD1 4.4Å; N716-L747 PolarHBondContact ND2-O 3.25Å; I722-L747 HydrophobicContact CB-CB 4.17Å; I722-L747 PolarHBondContact N-O 2.93Å; I722-L747 PolarHBondContact O-N 2.82Å; F725-L747 HydrophobicContact CD1-CD1 4.36Å; F725-L747 HydrophobicContact CD2-CD1 3.42Å; F725-L747 VanDerWaalsContact CD2-CD1 3.42Å; F725-L747 HydrophobicContact CD2-CG 4.23Å; F725-L747 HydrophobicContact CE1-CD1 4.38Å; F725-L747 HydrophobicContact CE2-CD1 3.5Å; F725-L747 VanDerWaalsContact CE2-CD1 3.5Å; F725-L747 HydrophobicContact CG-CD1 3.89Å; F725-L747 HydrophobicContact CG-CG 4.28Å; F725-L747 HydrophobicContact CZ-CD1 3.98Å; L747-L755 HydrophobicContact CD2-CB 3.55Å; L747-L755 HydrophobicContact CG-CB 4.32Å
748P82.9Confident83.3Confident42 Ų4264.3 Ų64.327%0.27337%0.367SS..  trans-62.4152.3179.4-23.734.7000113.5N716 D721 A753N716-P748 PolarHBondContact ND2-O 2.74Å; D721-P748 VanDerWaalsContact OD1-CA 3.25Å; D721-P748 WeakPolarHBondContact OD1-CA 3.2Å; P748-A753 WeakPolarHBondContact CD-O 3.31Å; P748-A753 HydrophobicContact CG-CB 4.19Å
749A81.6Confident83.4Confident19 Ų1957.9 Ų57.916%0.15734%0.337CS..SBendtrans-56.4165174.300000114.2T718 D721 G751 G752T718-A749 VanDerWaalsContact O-CA 3.26Å; T718-A749 WeakPolarHBondContact O-CA 3.43Å; T718-A749 VanDerWaalsContact O-CB 3.29Å; T718-A749 WeakPolarHBondContact O-CB 3.26Å; D721-A749 PolarHBondContact OD1-N 3.48Å; A749-G751 VanDerWaalsContact C-N 3.26Å; A749-G751 PolarHBondContact O-N 2.96Å; A749-G751 VanDerWaalsContact O-N 3.11Å; A749-G752 PolarHBondContact O-N 3.35Å
750H75.5Confident83.4Confident138 Ų13857.3 Ų57.364%0.63934%0.336SS*.THydrogen-bonded Turntrans5330.3171.2-54.1-65.3000116.6T718 D719 G752T718-H750 PolarHBondContact O-N 3.39Å; D719-H750 IonicContact OD1-CE1 2.85Å; D719-H750 PolarHBondContact OD1-CE1 3.33Å; D719-H750 IonicContact OD1-ND1 2.81Å; D719-H750 PolarHBondContact OD1-ND1 2.96Å; H750-G752 VanDerWaalsContact C-N 3.33Å; H750-G752 PolarHBondContact O-N 3.4Å
751G66.3Low83.4Confident37 Ų3749.9 Ų49.938%0.38131%0.308SS..THydrogen-bonded Turntrans73.822.7173.500000114.2N716 A749N716-G751 VanDerWaalsContact O-CA 3.27Å; N716-G751 WeakPolarHBondContact O-CA 3.39Å; N716-G751 PolarHBondContact O-N 3.49Å; A749-G751 VanDerWaalsContact C-N 3.26Å; A749-G751 PolarHBondContact O-N 2.96Å; A749-G751 VanDerWaalsContact O-N 3.11Å
752G71.3Confident83.6Confident46 Ų4648.2 Ų48.247%0.47429%0.287SS..  trans-65.4-119.1-178.700000114.4A749 H750 K754A749-G752 PolarHBondContact O-N 3.35Å; H750-G752 VanDerWaalsContact C-N 3.33Å; H750-G752 PolarHBondContact O-N 3.4Å; G752-K754 PolarHBondContact O-N 3.38Å
753A77.6Confident83.4Confident45 Ų4546.4 Ų46.437%0.37227%0.274SS..SBendtrans-77.3100.4-169.700000112R744 P748R744-A753 VanDerWaalsContact CZ-O 3.27Å; R744-A753 PolarHBondContact NE-O 3.16Å; R744-A753 VanDerWaalsContact NE-O 3.12Å; R744-A753 VanDerWaalsContact NH1-CB 3.34Å; P748-A753 WeakPolarHBondContact CD-O 3.31Å; P748-A753 HydrophobicContact CG-CB 4.19Å
754K85.6Confident83.1Confident111 Ų11146.9 Ų46.948%0.48328%0.276SS..  trans-60.7139.1-177.9-55.1-170.3-178.3-176.60112.9T713 A714 R744 G752T713-K754 HydrophobicContact CG2-CB 3.93Å; T713-K754 HydrophobicContact CG2-CD 3.81Å; T713-K754 HydrophobicContact CG2-CG 4.47Å; A714-K754 CarbonylContact O-C 3.6Å; A714-K754 WeakPolarHBondContact O-CA 3.32Å; A714-K754 WeakPolarHBondContact O-CB 3.32Å; R744-K754 VanDerWaalsContact CZ-O 3.24Å; R744-K754 VanDerWaalsContact NE-C 3.34Å; R744-K754 PolarHBondContact NE-O 3.34Å; R744-K754 PolarHBondContact NH2-O 2.93Å; G752-K754 PolarHBondContact O-N 3.38Å
755L88.4Confident82.6Confident1 Ų148.2 Ų48.21%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-82.9129.1171.5179.1159.2000108.8T713 A714 F725 L727 P742 R744 L747 Q757T713-L755 CarbonylContact C-O 3.56Å; T713-L755 VanDerWaalsContact CA-O 3.31Å; T713-L755 WeakPolarHBondContact CA-O 3.41Å; A714-L755 HydrophobicContact CB-CB 4.31Å; A714-L755 HydrophobicContact CB-CD2 4.46Å; A714-L755 PolarHBondContact N-O 3.33Å; A714-L755 PolarHBondContact O-N 3.1Å; F725-L755 HydrophobicContact CB-CD1 4.2Å; F725-L755 HydrophobicContact CD1-CD1 3.48Å; F725-L755 VanDerWaalsContact CD1-CD1 3.48Å; F725-L755 HydrophobicContact CD1-CD2 4.38Å; F725-L755 HydrophobicContact CE1-CD1 4.21Å; F725-L755 HydrophobicContact CE1-CD2 4.39Å; F725-L755 HydrophobicContact CG-CD1 4.12Å; L727-L755 HydrophobicContact CD1-CD2 4.31Å; P742-L755 HydrophobicContact CB-CD2 4.18Å; P742-L755 HydrophobicContact CB-CG 4.38Å; R744-L755 HydrophobicContact CG-CB 3.67Å; R744-L755 HydrophobicContact CG-CD1 3.88Å; R744-L755 HydrophobicContact CG-CG 3.79Å; R744-L755 WeakPolarHBondContact O-CD1 3.42Å; L747-L755 HydrophobicContact CD2-CB 3.55Å; L747-L755 HydrophobicContact CG-CB 4.32Å; L755-Q757 HydrophobicContact CD2-CB 4.5Å
756T89.2Confident82.4Confident62 Ų6249.6 Ų49.638%0.3829%0.29SS..EExtended strand (participates in β ladder)trans-118.2139.3173.954.10000110.7L712 T713 S743L712-T756 CarbonylContact O-C 3.54Å; L712-T756 WeakPolarHBondContact O-CA 3.36Å; T713-T756 HydrophobicContact CG2-CG2 4.06Å; S743-T756 WeakPolarHBondContact CB-O 3.42Å; S743-T756 PolarHBondContact N-O 3.4Å; S743-T756 PolarHBondContact OG-N 3.19Å
757Q90.4Very high82.2Confident15 Ų1550.1 Ų50.17%0.0729%0.291CS..EExtended strand (participates in β ladder)trans-139.6132.9174.9-168.21697.600110.4L712 L727 R740 P742 L755L712-Q757 PolarHBondContact N-O 3.46Å; L712-Q757 PolarHBondContact O-N 3.47Å; L727-Q757 HydrophobicContact CD1-CB 4.45Å; R740-Q757 WeakPolarHBondContact O-CG 3.35Å; R740-Q757 PolarHBondContact O-NE2 3.34Å; P742-Q757 HydrophobicContact CB-CB 4.26Å; P742-Q757 HydrophobicContact CB-CG 4.24Å; L755-Q757 HydrophobicContact CD2-CB 4.5Å
758L90.3Very high81.9Confident45 Ų4556.8 Ų56.824%0.23633%0.327CS..EExtended strand (participates in β ladder)trans-96.8132.3-177.1-156.873.8000110.8T709 T711 R740T709-L758 HydrophobicContact CG2-CD1 3.4Å; T709-L758 HydrophobicContact CG2-CD2 4.03Å; T709-L758 HydrophobicContact CG2-CG 3.74Å; T711-L758 WeakPolarHBondContact OG1-CD1 3.35Å; R740-L758 HydrophobicContact CB-CB 4.22Å; R740-L758 HydrophobicContact CG-CB 4.25Å; R740-L758 PolarHBondContact N-O 3.09Å
759V89.4Confident81.8Confident0 Ų056 Ų560%032%0.32CS..EExtended strand (participates in β ladder)trans-121.1117.9175.9-161.10000108.6V710 L712 L737 M739 L761V710-V759 HydrophobicContact CB-CB 4.25Å; V710-V759 PolarHBondContact N-O 3.07Å; V710-V759 PolarHBondContact O-N 3.18Å; L712-V759 HydrophobicContact CD1-CG2 3.8Å; L712-V759 HydrophobicContact CG-CG2 4.14Å; L737-V759 HydrophobicContact CD1-CG1 3.95Å; L737-V759 HydrophobicContact CG-CG1 3.91Å; M739-V759 HydrophobicContact CG-CG1 4.15Å; M739-V759 HydrophobicContact SD-CB 4.2Å; M739-V759 HydrophobicContact SD-CG1 3.85Å; M739-V759 HydrophobicContact SD-CG2 3.44Å; M739-V759 WeakPolarHBondContact SD-CG2 3.45Å; V759-L761 HydrophobicContact CG1-CD2 3.9Å
760V90Very high81.9Confident36 Ų3659.6 Ų59.622%0.21833%0.332CS..EExtended strand (participates in β ladder)trans-97.2124175.2-176.40000108.3Q738Q738-V760 PolarHBondContact N-O 3.43Å; Q738-V760 PolarHBondContact O-N 3.13Å
761L88Confident82.6Confident1 Ų153 Ų531%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-114.8130.4178.3-55-176.9000109.8L708 V710 V731 V735 Q736 L737 V759 L769 F793L708-L761 HydrophobicContact CB-CB 4.38Å; L708-L761 HydrophobicContact CD2-CD1 4.3Å; L708-L761 PolarHBondContact N-O 2.9Å; L708-L761 PolarHBondContact O-N 3.18Å; V710-L761 HydrophobicContact CG2-CD1 4.03Å; V710-L761 HydrophobicContact CG2-CG 4.42Å; V731-L761 HydrophobicContact CG1-CD2 4.15Å; V735-L761 HydrophobicContact CG1-CB 4.47Å; Q736-L761 WeakPolarHBondContact O-CA 3.12Å; L737-L761 HydrophobicContact CB-CD2 3.75Å; L737-L761 HydrophobicContact CD1-CD2 3.71Å; L737-L761 HydrophobicContact CG-CD2 3.77Å; V759-L761 HydrophobicContact CG1-CD2 3.9Å; L761-L769 HydrophobicContact CD1-CD2 4.29Å; L761-F793 HydrophobicContact CD1-CE1 4.28Å
762N87.3Confident83.6Confident53 Ų5357 Ų5728%0.28331%0.305SS..EExtended strand (participates in β ladder)trans-118.5116.1172.5179.731.3000109.9S706 V735 Q736 P764S706-N762 CarbonylContact O-C 3.4Å; S706-N762 WeakPolarHBondContact O-CA 3.37Å; S706-N762 PolarHBondContact O-OD1 3.23Å; S706-N762 PolarHBondContact OG-OD1 2.86Å; V735-N762 WeakPolarHBondContact CG1-O 3.13Å; Q736-N762 HydrophobicContact CB-CB 4.27Å; Q736-N762 PolarHBondContact N-O 3.38Å; Q736-N762 PolarHBondContact O-N 3.34Å; Q736-N762 PolarHBondContact OE1-ND2 2.99Å; N762-P764 VanDerWaalsContact C-CD 3.44Å; N762-P764 VanDerWaalsContact O-CD 3.22Å; N762-P764 WeakPolarHBondContact O-CD 3.42Å
763N83.4Confident84.5Confident16 Ų1654.9 Ų54.99%0.08628%0.283CS..  trans-117.171.4-175.2-175.810.1000110.5S706 V735 N765 K766 V767 L769S706-N763 PolarHBondContact O-N 3.22Å; V735-N763 HydrophobicContact CG1-CB 4.37Å; V735-N763 HydrophobicContact CG2-CB 4.31Å; N763-N765 PolarHBondContact O-N 3.46Å; N763-N765 VanDerWaalsContact O-N 3.15Å; N763-K766 PolarHBondContact O-N 3.47Å; N763-K766 PolarHBondContact OD1-N 2.93Å; N763-V767 PolarHBondContact ND2-N 3.5Å; N763-V767 PolarHBondContact ND2-O 2.98Å; N763-V767 PolarHBondContact OD1-N 2.64Å; N763-L769 HydrophobicContact CB-CD2 4.35Å
764P77.9Confident85.1Confident74 Ų7456.9 Ų56.948%0.48128%0.281SS..THydrogen-bonded Turntrans-63.8-22.1-175.426.7-35.7000113.3N762N762-P764 VanDerWaalsContact C-CD 3.44Å; N762-P764 VanDerWaalsContact O-CD 3.22Å; N762-P764 WeakPolarHBondContact O-CD 3.42Å
765N72.6Confident85.3Confident113 Ų11351.7 Ų51.760%0.60426%0.258SS*.THydrogen-bonded Turntrans-97.15.2-176.7-63.8-51.9000113.6N763 V767N763-N765 PolarHBondContact O-N 3.46Å; N763-N765 VanDerWaalsContact O-N 3.15Å; N765-V767 HydrophobicContact CB-CG2 3.81Å; N765-V767 PolarHBondContact O-N 2.96Å; N765-V767 VanDerWaalsContact O-N 3.13Å
766K76.1Confident85.4Confident138 Ų13852.5 Ų52.560%0.626%0.264SS*.  trans47.639.7-179.2-60.5-171.4177.2-175.40114E705 N763E705-K766 IonicContact OE2-NZ 3.14Å; E705-K766 PolarHBondContact OE2-NZ 2.96Å; N763-K766 PolarHBondContact O-N 3.47Å; N763-K766 PolarHBondContact OD1-N 2.93Å
767V78.9Confident85.3Confident60 Ų6049.6 Ų49.636%0.36425%0.246SC..PPolyproline II helixtrans-78.2148.6177.9-172.20000109.5N763 N765 L769N763-V767 PolarHBondContact ND2-N 3.5Å; N763-V767 PolarHBondContact ND2-O 2.98Å; N763-V767 PolarHBondContact OD1-N 2.64Å; N765-V767 HydrophobicContact CB-CG2 3.81Å; N765-V767 PolarHBondContact O-N 2.96Å; N765-V767 VanDerWaalsContact O-N 3.13Å; V767-L769 PolarHBondContact O-N 3.4Å; V767-L769 VanDerWaalsContact O-N 3.09Å
768N78.1Confident85Confident140 Ų14050.9 Ų50.975%0.74926%0.255SS*.PPolyproline II helixtrans-52.2118.4173-85.4-16000111
769L80.4Confident84.5Confident25 Ų2549.6 Ų49.613%0.13125%0.25CC..PPolyproline II helixtrans-71.4129.5-178.2-78.2161.6000110.3L708 V735 L761 N763 V767 F793 L796L708-L769 HydrophobicContact CD2-CD1 4.27Å; V735-L769 HydrophobicContact CG1-CD2 4.04Å; V735-L769 HydrophobicContact CG2-CD2 4.22Å; L761-L769 HydrophobicContact CD1-CD2 4.29Å; N763-L769 HydrophobicContact CB-CD2 4.35Å; V767-L769 PolarHBondContact O-N 3.4Å; V767-L769 VanDerWaalsContact O-N 3.09Å; L769-F793 HydrophobicContact CB-CD2 3.97Å; L769-F793 HydrophobicContact CB-CE2 3.67Å; L769-F793 HydrophobicContact CB-CZ 4.34Å; L769-L796 HydrophobicContact CD1-CD1 3.67Å
770K84.3Confident83.5Confident96 Ų9657.4 Ų57.442%0.41729%0.286SS..  trans-137.7134.4171.1-61.7-173.8169.6-117.50108P732 V790 D791P732-K770 VanDerWaalsContact CD-O 3.23Å; P732-K770 WeakPolarHBondContact CD-O 3.49Å; K770-V790 WeakPolarHBondContact CA-O 3.47Å; K770-D791 WeakPolarHBondContact CD-OD1 3.49Å; K770-D791 WeakPolarHBondContact CE-OD1 3.43Å; K770-D791 VanDerWaalsContact CG-OD1 3.23Å; K770-D791 WeakPolarHBondContact CG-OD1 3.03Å; K770-D791 IonicContact NZ-OD1 3.34Å; K770-D791 PolarHBondContact NZ-OD1 2.97Å
771M88.2Confident82.5Confident0 Ų059.1 Ų59.10%031%0.311CS..EExtended strand (participates in β ladder)trans-132.4125.1179.5-178.1170.370.300110.3L698 V710 A729 A730 V731 L737 I773 V790 F793L698-M771 HydrophobicContact CD1-CE 3.94Å; V710-M771 HydrophobicContact CG1-CE 4.4Å; A729-M771 HydrophobicContact CB-CG 4.22Å; A729-M771 HydrophobicContact CB-SD 4.05Å; A730-M771 CarbonylContact O-C 3.49Å; A730-M771 WeakPolarHBondContact O-CA 3.19Å; V731-M771 HydrophobicContact CG1-CB 4.05Å; V731-M771 HydrophobicContact CG1-CG 4.08Å; L737-M771 HydrophobicContact CD1-SD 4.46Å; M771-I773 HydrophobicContact CE-CD1 3.75Å; M771-I773 HydrophobicContact CE-CG1 3.97Å; M771-I773 HydrophobicContact CG-CG1 4.23Å; M771-V790 HydrophobicContact CB-CB 4.45Å; M771-V790 PolarHBondContact N-O 3.28Å; M771-V790 PolarHBondContact O-N 3.43Å; M771-F793 HydrophobicContact CB-CE1 4.5Å; M771-F793 HydrophobicContact CB-CZ 3.79Å; M771-F793 HydrophobicContact CE-CE1 4.12Å; M771-F793 HydrophobicContact CE-CZ 4.48Å
772R88.4Confident81.9Confident120 Ų12062.8 Ų62.845%0.45334%0.337SS..EExtended strand (participates in β ladder)trans-93.9124.9169.2-69.9-178.4-177.5163.2-1.2108.9A729 A730 V788 Q789A729-R772 CarbonylContact C-O 3.55Å; A729-R772 VanDerWaalsContact CA-O 3.31Å; A729-R772 WeakPolarHBondContact CA-O 3.47Å; A730-R772 PolarHBondContact N-O 2.89Å; A730-R772 PolarHBondContact O-N 3.3Å; R772-V788 CarbonylContact C-O 3.5Å; R772-V788 WeakPolarHBondContact CA-O 3.38Å; R772-Q789 HydrophobicContact CG-CB 4.27Å; R772-Q789 HydrophobicContact CG-CG 4.05Å
773I90.5Very high81.7Confident1 Ų165 Ų651%0.00535%0.352CS..EExtended strand (participates in β ladder)trans-107.8126.1175.8-52177.6000107.9V688 L696 L712 L727 Q728 M771 V775 M787 V788 V790V688-I773 HydrophobicContact CG1-CD1 4.18Å; L696-I773 HydrophobicContact CD2-CD1 4.27Å; L696-I773 HydrophobicContact CD2-CG2 4.31Å; L712-I773 HydrophobicContact CD1-CD1 4.19Å; L712-I773 HydrophobicContact CD2-CD1 3.81Å; L727-I773 HydrophobicContact CD2-CG2 4.19Å; Q728-I773 CarbonylContact O-C 3.59Å; Q728-I773 VanDerWaalsContact O-CA 3.31Å; Q728-I773 WeakPolarHBondContact O-CA 3.43Å; M771-I773 HydrophobicContact CE-CD1 3.75Å; M771-I773 HydrophobicContact CE-CG1 3.97Å; M771-I773 HydrophobicContact CG-CG1 4.23Å; I773-V775 HydrophobicContact CG2-CG2 4.13Å; I773-M787 CarbonylContact O-C 3.6Å; I773-M787 WeakPolarHBondContact O-CA 3.44Å; I773-V788 PolarHBondContact N-O 2.91Å; I773-V788 PolarHBondContact O-N 3.26Å; I773-V790 HydrophobicContact CD1-CG2 3.98Å; I773-V790 HydrophobicContact CG1-CG2 4.44Å
774R90.3Very high81.8Confident88 Ų8865.6 Ų65.633%0.33236%0.356SS..EExtended strand (participates in β ladder)trans-98.8125.2165.7-173-178.8-173.5169.84.1108.3L727 Q728 D786 M787L727-R774 WeakPolarHBondContact CA-O 3.36Å; Q728-R774 HydrophobicContact CB-CB 4.29Å; Q728-R774 PolarHBondContact N-O 3.23Å; Q728-R774 PolarHBondContact O-N 3.23Å; R774-D786 CarbonylContact C-O 3.56Å; R774-D786 WeakPolarHBondContact CA-O 3.38Å; R774-M787 HydrophobicContact CB-CG 3.85Å; R774-M787 HydrophobicContact CG-CG 3.82Å
775V90.3Very high82.3Confident1 Ų166.9 Ų66.91%0.00636%0.356CS..EExtended strand (participates in β ladder)trans-108124.8176.6-168.80000107.1Y689 L696 F725 L727 I773 Y777 Q785 D786Y689-V775 HydrophobicContact CE1-CG1 4.49Å; L696-V775 HydrophobicContact CD2-CG2 4.29Å; F725-V775 HydrophobicContact CE1-CG1 4.41Å; F725-V775 HydrophobicContact CE2-CG1 3.83Å; F725-V775 HydrophobicContact CZ-CG1 3.58Å; L727-V775 HydrophobicContact CD2-CB 4.24Å; L727-V775 HydrophobicContact CD2-CG1 3.96Å; L727-V775 HydrophobicContact CD2-CG2 3.83Å; I773-V775 HydrophobicContact CG2-CG2 4.13Å; V775-Y777 HydrophobicContact CG1-CD1 3.96Å; V775-Y777 HydrophobicContact CG1-CE1 4.19Å; V775-Q785 WeakPolarHBondContact O-CA 3.39Å; V775-D786 PolarHBondContact N-O 3.25Å; V775-D786 PolarHBondContact O-N 3.41Å
776S88.6Confident82.9Confident19 Ų1963.1 Ų63.113%0.13334%0.336CS..EExtended strand (participates in β ladder)trans-132.2126.8179.4175.40000109.9T726 V784 Q785T726-S776 PolarHBondContact N-O 3.36Å; T726-S776 PolarHBondContact O-N 3.23Å; T726-S776 WeakPolarHBondContact OG1-CB 3.35Å; T726-S776 PolarHBondContact OG1-O 2.88Å; S776-V784 WeakPolarHBondContact CA-O 2.74Å; S776-Q785 WeakPolarHBondContact OG-CG 3.29Å; S776-Q785 PolarHBondContact OG-NE2 2.9Å
777Y88.8Confident83.4Confident1 Ų162 Ų620%0.00433%0.334CS..EExtended strand (participates in β ladder)trans-156.6159.1-176.761.4-84.2000112.3Y689 N692 V694 I722 F725 V775 C779 V784Y689-Y777 HydrophobicContact CE1-CE1 4.29Å; Y689-Y777 PolarHBondContact OH-OH 3.31Å; N692-Y777 PolarHBondContact ND2-OH 3.27Å; N692-Y777 VanDerWaalsContact ND2-OH 3.13Å; V694-Y777 HydrophobicContact CG2-CD2 4.27Å; V694-Y777 HydrophobicContact CG2-CE1 4.36Å; V694-Y777 HydrophobicContact CG2-CE2 3.8Å; I722-Y777 HydrophobicContact CD1-CD2 4.22Å; I722-Y777 HydrophobicContact CD1-CE2 4.3Å; I722-Y777 HydrophobicContact CG2-CD2 3.66Å; I722-Y777 HydrophobicContact CG2-CG 4.01Å; F725-Y777 HydrophobicContact CD2-CD1 4.32Å; F725-Y777 HydrophobicContact CD2-CG 4.08Å; F725-Y777 HydrophobicContact CE2-CD1 4.07Å; F725-Y777 HydrophobicContact CE2-CG 4.25Å; V775-Y777 HydrophobicContact CG1-CD1 3.96Å; V775-Y777 HydrophobicContact CG1-CE1 4.19Å; Y777-C779 HydrophobicContact CD2-CB 4.08Å; Y777-C779 HydrophobicContact CE2-CB 4Å; Y777-V784 HydrophobicContact CD1-CB 4.37Å; Y777-V784 HydrophobicContact CD2-CB 4.35Å; Y777-V784 HydrophobicContact CE1-CB 3.98Å; Y777-V784 HydrophobicContact CE1-CG1 3.86Å; Y777-V784 HydrophobicContact CE2-CB 3.95Å; Y777-V784 HydrophobicContact CE2-CG1 4.39Å; Y777-V784 HydrophobicContact CE2-CG2 4.11Å; Y777-V784 PolarHBondContact N-O 3.27Å; Y777-V784 PolarHBondContact O-N 3.36Å
778T84.1Confident83.9Confident42 Ų4260.8 Ų60.826%0.25833%0.326SS..EExtended strand (participates in β ladder)trans-105.2121.3174.8-48.50000109.9S723 S782S723-T778 PolarHBondContact N-O 3.29Å; S723-T778 WeakPolarHBondContact O-CB 3.47Å; S723-T778 PolarHBondContact O-N 3.32Å; T778-S782 WeakPolarHBondContact CA-O 3.23Å
779C78.3Confident84.3Confident18 Ų1858.1 Ų58.112%0.12231%0.309CS..EExtended strand (participates in β ladder)trans-125.9127.3175.9-174.20000109I722 Y777 G781 S782I722-C779 HydrophobicContact CD1-CB 4.46Å; I722-C779 HydrophobicContact CG1-CB 4.24Å; Y777-C779 HydrophobicContact CD2-CB 4.08Å; Y777-C779 HydrophobicContact CE2-CB 4Å; C779-G781 PolarHBondContact O-N 3.27Å; C779-G781 VanDerWaalsContact O-N 3.11Å; C779-S782 PolarHBondContact N-O 3.13Å; C779-S782 PolarHBondContact O-N 3.21Å
780Q70.1Confident84.5Confident164 Ų16457.3 Ų57.377%0.76631%0.306SS*.THydrogen-bonded Turntrans49.338.7-179.5-59.8-179.1-2.100114S782Q780-S782 VanDerWaalsContact C-N 3.26Å; Q780-S782 PolarHBondContact O-N 2.58Å
781G68.3Low84.3Confident71 Ų7156.6 Ų56.673%0.73231%0.306SS*.THydrogen-bonded Turntrans78.1-1.9-179.300000115.7C779C779-G781 PolarHBondContact O-N 3.27Å; C779-G781 VanDerWaalsContact O-N 3.11Å
782S75.1Confident83.6Confident78 Ų7861 Ų6155%0.54534%0.337SS..EExtended strand (participates in β ladder)trans-102132.5174.7-63.90000111T778 C779 Q780T778-S782 WeakPolarHBondContact CA-O 3.23Å; C779-S782 PolarHBondContact N-O 3.13Å; C779-S782 PolarHBondContact O-N 3.21Å; Q780-S782 VanDerWaalsContact C-N 3.26Å; Q780-S782 PolarHBondContact O-N 2.58Å
783V84.2Confident83.2Confident99 Ų9956 Ų5660%0.632%0.319SS*.EExtended strand (participates in β ladder)trans-82.8118.3174.6-178.60000109Q785V783-Q785 HydrophobicContact CG1-CG 4.25Å
784V84.6Confident82.2Confident30 Ų3056.8 Ų56.818%0.18232%0.324CS..EExtended strand (participates in β ladder)trans-102.1130.6175.3-178.30000108.8S776 Y777S776-V784 WeakPolarHBondContact CA-O 2.74Å; Y777-V784 HydrophobicContact CD1-CB 4.37Å; Y777-V784 HydrophobicContact CD2-CB 4.35Å; Y777-V784 HydrophobicContact CE1-CB 3.98Å; Y777-V784 HydrophobicContact CE1-CG1 3.86Å; Y777-V784 HydrophobicContact CE2-CB 3.95Å; Y777-V784 HydrophobicContact CE2-CG1 4.39Å; Y777-V784 HydrophobicContact CE2-CG2 4.11Å; Y777-V784 PolarHBondContact N-O 3.27Å; Y777-V784 PolarHBondContact O-N 3.36Å
785Q87.5Confident80.8Confident101 Ų10156 Ų5647%0.47234%0.343SS..EExtended strand (participates in β ladder)trans-130.9121.6172-64.5-165.1-17.800110.3V775 S776 V783V775-Q785 WeakPolarHBondContact O-CA 3.39Å; S776-Q785 WeakPolarHBondContact OG-CG 3.29Å; S776-Q785 PolarHBondContact OG-NE2 2.9Å; V783-Q785 HydrophobicContact CG1-CG 4.25Å
786D86.6Confident79.2Confident33 Ų3362.3 Ų62.318%0.17638%0.376CS..EExtended strand (participates in β ladder)trans-126.1153.3178.4-95.6-57.7000110.3Y689 K691 R774 V775Y689-D786 HydrophobicContact CD2-CB 4.47Å; Y689-D786 HydrophobicContact CE2-CB 3.53Å; Y689-D786 VanDerWaalsContact CE2-OD2 3.26Å; Y689-D786 WeakPolarHBondContact CE2-OD2 3.31Å; Y689-D786 PolarHBondContact OH-OD2 3.43Å; K691-D786 WeakPolarHBondContact CD-OD2 3.3Å; K691-D786 VanDerWaalsContact NZ-CG 3.35Å; K691-D786 IonicContact NZ-OD1 2.96Å; K691-D786 PolarHBondContact NZ-OD1 3.22Å; K691-D786 IonicContact NZ-OD2 2.84Å; K691-D786 PolarHBondContact NZ-OD2 2.97Å; R774-D786 CarbonylContact C-O 3.56Å; R774-D786 WeakPolarHBondContact CA-O 3.38Å; V775-D786 PolarHBondContact N-O 3.25Å; V775-D786 PolarHBondContact O-N 3.41Å
787M86.8Confident78.8Confident116 Ų11664.5 Ų64.557%0.57139%0.388SS*.EExtended strand (participates in β ladder)trans-123.8135.9170.4-76.6-171.6-84.600110.6L635 I773 R774L635-M787 HydrophobicContact CD1-SD 3.85Å; I773-M787 CarbonylContact O-C 3.6Å; I773-M787 WeakPolarHBondContact O-CA 3.44Å; R774-M787 HydrophobicContact CB-CG 3.85Å; R774-M787 HydrophobicContact CG-CG 3.82Å
788V88.3Confident78.2Confident33 Ų3367.8 Ų67.820%0.241%0.409CS..EExtended strand (participates in β ladder)trans-127.7141.2178.6-178.80000109.6V688 Y689 R772 I773V688-V788 HydrophobicContact CG1-CB 4.39Å; V688-V788 HydrophobicContact CG1-CG1 3.68Å; V688-V788 WeakPolarHBondContact O-CG1 3.41Å; Y689-V788 HydrophobicContact CD2-CG2 3.66Å; Y689-V788 HydrophobicContact CG-CG2 4.35Å; R772-V788 CarbonylContact C-O 3.5Å; R772-V788 WeakPolarHBondContact CA-O 3.38Å; I773-V788 PolarHBondContact N-O 2.91Å; I773-V788 PolarHBondContact O-N 3.26Å
789Q86.6Confident77.9Confident84 Ų8469.2 Ų69.239%0.39342%0.417SS..EExtended strand (participates in β ladder)trans-105126.5171.5-168.9172-69.800110.3R772 D791R772-Q789 HydrophobicContact CG-CB 4.27Å; R772-Q789 HydrophobicContact CG-CG 4.05Å; Q789-D791 PolarHBondContact NE2-OD1 2.89Å; Q789-D791 VanDerWaalsContact NE2-OD1 3.14Å; Q789-D791 PolarHBondContact NE2-OD2 2.99Å
790V85.1Confident77.9Confident9 Ų972.2 Ų72.26%0.05543%0.434CS..EExtended strand (participates in β ladder)trans-99.6110.7172.5-177.50000108V688 L698 K770 M771 I773 S792 F793V688-V790 HydrophobicContact CB-CG2 4.44Å; V688-V790 HydrophobicContact CG1-CG2 3.47Å; V688-V790 VanDerWaalsContact CG1-CG2 3.47Å; V688-V790 HydrophobicContact CG2-CG2 4.04Å; L698-V790 HydrophobicContact CD1-CG1 4.14Å; L698-V790 HydrophobicContact CD1-CG2 4.25Å; K770-V790 WeakPolarHBondContact CA-O 3.47Å; M771-V790 HydrophobicContact CB-CB 4.45Å; M771-V790 PolarHBondContact N-O 3.28Å; M771-V790 PolarHBondContact O-N 3.43Å; I773-V790 HydrophobicContact CD1-CG2 3.98Å; I773-V790 HydrophobicContact CG1-CG2 4.44Å; V790-S792 VanDerWaalsContact CG1-O 3.27Å; V790-S792 WeakPolarHBondContact CG1-O 3.25Å; V790-F793 HydrophobicContact CB-CZ 4.45Å; V790-F793 HydrophobicContact CG1-CD2 4.37Å; V790-F793 HydrophobicContact CG1-CE1 4.21Å; V790-F793 HydrophobicContact CG1-CE2 4.03Å; V790-F793 HydrophobicContact CG1-CZ 3.95Å
791D79.3Confident78.4Confident80 Ų8066.5 Ų66.543%0.42841%0.414SS..  trans-106.6-2.5176.4-71.8-63.1000112.9K770 Q789K770-D791 WeakPolarHBondContact CD-OD1 3.49Å; K770-D791 WeakPolarHBondContact CE-OD1 3.43Å; K770-D791 VanDerWaalsContact CG-OD1 3.23Å; K770-D791 WeakPolarHBondContact CG-OD1 3.03Å; K770-D791 IonicContact NZ-OD1 3.34Å; K770-D791 PolarHBondContact NZ-OD1 2.97Å; Q789-D791 PolarHBondContact NE2-OD1 2.89Å; Q789-D791 VanDerWaalsContact NE2-OD1 3.14Å; Q789-D791 PolarHBondContact NE2-OD2 2.99Å
792S74Confident79.1Confident93 Ų9366.2 Ų66.265%0.6539%0.392SS*.  trans-138.8131.4179.4-175.10000110.3V790V790-S792 VanDerWaalsContact CG1-O 3.27Å; V790-S792 WeakPolarHBondContact CG1-O 3.25Å
793F80.6Confident79.4Confident15 Ų1565.4 Ų65.47%0.06638%0.382CS..  trans-117.5126.9-178-68.6-100.4000108.4L698 L708 V710 L761 L769 M771 V790 G795 L796L698-F793 HydrophobicContact CD2-CD1 4.45Å; L708-F793 HydrophobicContact CD2-CD1 4.07Å; V710-F793 HydrophobicContact CG2-CD1 4.25Å; V710-F793 HydrophobicContact CG2-CE1 4.22Å; L761-F793 HydrophobicContact CD1-CE1 4.28Å; L769-F793 HydrophobicContact CB-CD2 3.97Å; L769-F793 HydrophobicContact CB-CE2 3.67Å; L769-F793 HydrophobicContact CB-CZ 4.34Å; M771-F793 HydrophobicContact CB-CE1 4.5Å; M771-F793 HydrophobicContact CB-CZ 3.79Å; M771-F793 HydrophobicContact CE-CE1 4.12Å; M771-F793 HydrophobicContact CE-CZ 4.48Å; V790-F793 HydrophobicContact CB-CZ 4.45Å; V790-F793 HydrophobicContact CG1-CD2 4.37Å; V790-F793 HydrophobicContact CG1-CE1 4.21Å; V790-F793 HydrophobicContact CG1-CE2 4.03Å; V790-F793 HydrophobicContact CG1-CZ 3.95Å; F793-G795 PolarHBondContact O-N 2.6Å; F793-L796 HydrophobicContact CB-CB 4.18Å; F793-L796 HydrophobicContact CB-CD1 3.98Å; F793-L796 PolarHBondContact O-N 2.88Å
794P68.8Low79Confident17 Ų1762.8 Ų62.811%0.1137%0.365CS..THydrogen-bonded Turntrans-64.2126.7-178.124-32.4000111.6P684 V686 L698 C700P684-P794 HydrophobicContact CB-CB 4.26Å; P684-P794 HydrophobicContact CG-CB 4.41Å; V686-P794 HydrophobicContact CB-CG 4.49Å; V686-P794 HydrophobicContact CG2-CB 3.86Å; V686-P794 HydrophobicContact CG2-CG 3.87Å; L698-P794 HydrophobicContact CD2-CG 4Å; C700-P794 HydrophobicContact CB-CG 4.45Å; C700-P794 WeakPolarHBondContact CB-O 3.35Å
795G60.1Low78.5Confident72 Ų7265.5 Ų65.574%0.74238%0.38SS*.THydrogen-bonded Turntrans84.222.6177.200000115.5F793F793-G795 PolarHBondContact O-N 2.6Å
796L58.5Low77.7Confident133 Ų13362.3 Ų62.370%0.69637%0.372SS*.  trans-126.40179.3-118169.2000112.3L708 L769 F793L708-L796 HydrophobicContact CD1-CD1 3.5Å; L708-L796 HydrophobicContact CD1-CG 4.17Å; L708-L796 HydrophobicContact CD2-CD1 3.37Å; L708-L796 HydrophobicContact CG-CD1 3.98Å; L769-L796 HydrophobicContact CD1-CD1 3.67Å; F793-L796 HydrophobicContact CB-CB 4.18Å; F793-L796 HydrophobicContact CB-CD1 3.98Å; F793-L796 PolarHBondContact O-N 2.88Å

Retrieved 796 of 796 residues in 186.2 ms (Link to these results)

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