A0A077ZBV9_TRITR Loading...

DUF2451 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZBV9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 233 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
1M48.7Very low65.8Low183 Ų18396.5 Ų96.590%0.90146%0.459SS*.  0-44.50-154.2160.375.500114.3I3 C4 R5M1-I3 PolarHBondContact O-N 3.44Å; M1-C4 WeakPolarHBondContact O-CB 3.49Å; M1-C4 PolarHBondContact O-N 3.49Å; M1-R5 PolarHBondContact O-N 3.17Å
2M55.8Low66.6Low74 Ų7493.3 Ų93.337%0.36545%0.446SS..Hα-helixtrans-64.7-38.2-177.4-169177.9-63.300115C4 R5 I6 R46 V49M2-C4 VanDerWaalsContact C-N 3.3Å; M2-C4 PolarHBondContact O-N 3.04Å; M2-R5 PolarHBondContact O-N 3.39Å; M2-I6 HydrophobicContact CG-CD1 4.32Å; M2-I6 PolarHBondContact O-N 3.18Å; M2-I6 VanDerWaalsContact O-N 3.15Å; M2-R46 HydrophobicContact SD-CB 4.46Å; M2-R46 HydrophobicContact SD-CG 4.4Å; M2-V49 HydrophobicContact CE-CB 3.74Å; M2-V49 HydrophobicContact CE-CG1 3.74Å; M2-V49 HydrophobicContact CE-CG2 3.57Å; M2-V49 HydrophobicContact SD-CB 4.39Å
3I57.6Low67.6Low111 Ų11192.2 Ų92.257%0.56944%0.44SS*.Hα-helixtrans-60.4-41.6176.6-63.8171.8000111.1M1 R5 I6 F7 V106M1-I3 PolarHBondContact O-N 3.44Å; I3-R5 PolarHBondContact O-N 3.43Å; I3-I6 PolarHBondContact O-N 3.45Å; I3-F7 PolarHBondContact O-N 2.89Å; I3-V106 HydrophobicContact CD1-CG1 3.42Å; I3-V106 VanDerWaalsContact CD1-CG1 3.42Å
4C55.6Low68.7Low81 Ų8191.4 Ų91.455%0.54745%0.449SS..Hα-helixtrans-61.3-44.3176.5-171.80000111.1M1 M2 I6 F7 V8M1-C4 WeakPolarHBondContact O-CB 3.49Å; M1-C4 PolarHBondContact O-N 3.49Å; M2-C4 VanDerWaalsContact C-N 3.3Å; M2-C4 PolarHBondContact O-N 3.04Å; C4-I6 VanDerWaalsContact C-N 3.34Å; C4-I6 PolarHBondContact O-N 3.49Å; C4-F7 PolarHBondContact O-N 3.04Å; C4-V8 WeakPolarHBondContact O-CB 3.47Å; C4-V8 WeakPolarHBondContact O-CG2 3.21Å; C4-V8 PolarHBondContact O-N 3.28Å
5R64.5Low69.6Low154 Ų15492.5 Ų92.558%0.58146%0.455SS*.Hα-helixtrans-60.3-40.2177-69.7-173.6177.4179.8-1.2112.9M1 M2 I3 S9 V42M1-R5 PolarHBondContact O-N 3.17Å; M2-R5 PolarHBondContact O-N 3.39Å; I3-R5 PolarHBondContact O-N 3.43Å; R5-S9 WeakPolarHBondContact O-CB 3.45Å; R5-S9 PolarHBondContact O-N 3.28Å; R5-S9 PolarHBondContact O-OG 2.91Å; R5-V42 HydrophobicContact CB-CG1 4.47Å
6I66.6Low70.2Confident21 Ų2187.4 Ų87.411%0.10843%0.43CS..Hα-helixtrans-69.2-46.2178.8-63.7160.4000110.9M2 I3 C4 S9 R10 V42 R46M2-I6 HydrophobicContact CG-CD1 4.32Å; M2-I6 PolarHBondContact O-N 3.18Å; M2-I6 VanDerWaalsContact O-N 3.15Å; I3-I6 PolarHBondContact O-N 3.45Å; C4-I6 VanDerWaalsContact C-N 3.34Å; C4-I6 PolarHBondContact O-N 3.49Å; I6-S9 WeakPolarHBondContact CA-OG 3.46Å; I6-S9 PolarHBondContact O-N 3.08Å; I6-S9 PolarHBondContact O-OG 3.31Å; I6-R10 PolarHBondContact O-N 3.33Å; I6-V42 HydrophobicContact CG1-CG1 4.28Å; I6-R46 HydrophobicContact CD1-CB 4.36Å; I6-R46 HydrophobicContact CD1-CG 4.23Å
7F73.5Confident71Confident126 Ų12685.1 Ų85.155%0.55343%0.434SS*.Hα-helixtrans-58.6-50.9176.7176.5-98.8000110.7I3 C4 S9 R10 Q11I3-F7 PolarHBondContact O-N 2.89Å; C4-F7 PolarHBondContact O-N 3.04Å; F7-S9 VanDerWaalsContact C-N 3.31Å; F7-S9 PolarHBondContact O-N 2.99Å; F7-R10 PolarHBondContact O-N 3.22Å; F7-R10 VanDerWaalsContact O-N 3.14Å; F7-Q11 HydrophobicContact CD1-CG 4Å; F7-Q11 HydrophobicContact CD2-CG 4.35Å; F7-Q11 HydrophobicContact CE1-CG 3.57Å; F7-Q11 HydrophobicContact CE2-CG 3.96Å; F7-Q11 HydrophobicContact CG-CG 4.38Å; F7-Q11 HydrophobicContact CZ-CG 3.54Å; F7-Q11 WeakPolarHBondContact O-CG 3.36Å; F7-Q11 PolarHBondContact O-N 3.5Å
8V72.6Confident71.8Confident67 Ų6784.8 Ų84.841%0.40644%0.441SS..Hα-helixtrans-57.6-43.5176.9170.90000111.1C4 R10 Q11 L12C4-V8 WeakPolarHBondContact O-CB 3.47Å; C4-V8 WeakPolarHBondContact O-CG2 3.21Å; C4-V8 PolarHBondContact O-N 3.28Å; V8-R10 PolarHBondContact O-N 2.86Å; V8-Q11 PolarHBondContact O-N 3Å; V8-L12 HydrophobicContact CG1-CD1 3.68Å; V8-L12 WeakPolarHBondContact O-CB 3.46Å; V8-L12 PolarHBondContact O-N 3.13Å
9S73.6Confident72.3Confident5 Ų583.6 Ų83.64%0.03543%0.434CS..Hα-helixtrans-61.1-42177.167.70000113R5 I6 F7 L12 E13R5-S9 WeakPolarHBondContact O-CB 3.45Å; R5-S9 PolarHBondContact O-N 3.28Å; R5-S9 PolarHBondContact O-OG 2.91Å; I6-S9 WeakPolarHBondContact CA-OG 3.46Å; I6-S9 PolarHBondContact O-N 3.08Å; I6-S9 PolarHBondContact O-OG 3.31Å; F7-S9 VanDerWaalsContact C-N 3.31Å; F7-S9 PolarHBondContact O-N 2.99Å; S9-L12 PolarHBondContact O-N 3.28Å; S9-E13 WeakPolarHBondContact O-CB 3.37Å; S9-E13 WeakPolarHBondContact O-CG 3.27Å; S9-E13 PolarHBondContact O-N 3.3Å
10R75Confident72.7Confident152 Ų15282.6 Ų82.657%0.57443%0.427SS*.Hα-helixtrans-69-40.1177.6-74.9-179.1172.4179.6-4.5112.4I6 F7 V8 E13 S14I6-R10 PolarHBondContact O-N 3.33Å; F7-R10 PolarHBondContact O-N 3.22Å; F7-R10 VanDerWaalsContact O-N 3.14Å; V8-R10 PolarHBondContact O-N 2.86Å; R10-E13 PolarHBondContact O-N 2.98Å; R10-S14 PolarHBondContact O-N 3.21Å; R10-S14 PolarHBondContact O-OG 3.34Å
11Q80.2Confident73.3Confident87 Ų8782.1 Ų82.141%0.40744%0.436SS..Hα-helixtrans-62-47174.5-66.1-55.7-57.500109.9F7 V8 E13 S14 M15F7-Q11 HydrophobicContact CD1-CG 4Å; F7-Q11 HydrophobicContact CD2-CG 4.35Å; F7-Q11 HydrophobicContact CE1-CG 3.57Å; F7-Q11 HydrophobicContact CE2-CG 3.96Å; F7-Q11 HydrophobicContact CG-CG 4.38Å; F7-Q11 HydrophobicContact CZ-CG 3.54Å; F7-Q11 WeakPolarHBondContact O-CG 3.36Å; F7-Q11 PolarHBondContact O-N 3.5Å; V8-Q11 PolarHBondContact O-N 3Å; Q11-E13 PolarHBondContact O-N 3.36Å; Q11-S14 PolarHBondContact O-N 2.96Å; Q11-S14 PolarHBondContact O-OG 3.18Å; Q11-M15 VanDerWaalsContact O-CG 3.27Å; Q11-M15 WeakPolarHBondContact O-CG 3.35Å; Q11-M15 PolarHBondContact O-N 3.43Å
12L75.9Confident75.2Confident59 Ų5980.5 Ų80.531%0.30943%0.429SS..Hα-helixtrans-58.4-45.8174.2-90.1151.7000112.8V8 S9 S14 M15 L16 L39V8-L12 HydrophobicContact CG1-CD1 3.68Å; V8-L12 WeakPolarHBondContact O-CB 3.46Å; V8-L12 PolarHBondContact O-N 3.13Å; S9-L12 PolarHBondContact O-N 3.28Å; L12-S14 VanDerWaalsContact C-N 3.32Å; L12-S14 PolarHBondContact O-N 3.43Å; L12-M15 PolarHBondContact O-N 3.46Å; L12-L16 WeakPolarHBondContact O-CB 3.39Å; L12-L16 PolarHBondContact O-N 2.71Å; L12-L39 HydrophobicContact CB-CD1 3.99Å; L12-L39 HydrophobicContact CB-CD2 4.04Å; L12-L39 HydrophobicContact CD1-CD2 4.22Å
13E78.8Confident76.5Confident79 Ų7979 Ų7937%0.36942%0.423SS..Hα-helixtrans-58.7-41.1174.6-80.2178.7175.900112.2S9 R10 Q11 M15 L16 L39S9-E13 WeakPolarHBondContact O-CB 3.37Å; S9-E13 WeakPolarHBondContact O-CG 3.27Å; S9-E13 PolarHBondContact O-N 3.3Å; R10-E13 PolarHBondContact O-N 2.98Å; Q11-E13 PolarHBondContact O-N 3.36Å; E13-M15 VanDerWaalsContact C-N 3.33Å; E13-M15 PolarHBondContact O-N 3.41Å; E13-L16 WeakPolarHBondContact O-CB 3.44Å; E13-L16 PolarHBondContact O-N 3.11Å; E13-L39 HydrophobicContact CG-CB 4.26Å; E13-L39 HydrophobicContact CG-CD1 4.17Å
14S82.7Confident77.9Confident81 Ų8177.8 Ų77.857%0.56642%0.422SS*.Hα-helixtrans-70.1-30.4178.2710000113.2R10 Q11 L12R10-S14 PolarHBondContact O-N 3.21Å; R10-S14 PolarHBondContact O-OG 3.34Å; Q11-S14 PolarHBondContact O-N 2.96Å; Q11-S14 PolarHBondContact O-OG 3.18Å; L12-S14 VanDerWaalsContact C-N 3.32Å; L12-S14 PolarHBondContact O-N 3.43Å
15M82.5Confident79.2Confident108 Ų10881.3 Ų81.353%0.53243%0.43SS..Hα-helixtrans-86-12.5179.4-65.7178.585.200112.9Q11 L12 E13 G17 S18 I19Q11-M15 VanDerWaalsContact O-CG 3.27Å; Q11-M15 WeakPolarHBondContact O-CG 3.35Å; Q11-M15 PolarHBondContact O-N 3.43Å; L12-M15 PolarHBondContact O-N 3.46Å; E13-M15 VanDerWaalsContact C-N 3.33Å; E13-M15 PolarHBondContact O-N 3.41Å; M15-G17 VanDerWaalsContact C-N 3.31Å; M15-G17 PolarHBondContact O-N 2.87Å; M15-S18 WeakPolarHBondContact O-CB 3.49Å; M15-S18 PolarHBondContact O-N 2.88Å; M15-I19 HydrophobicContact CB-CD1 4.02Å; M15-I19 HydrophobicContact CB-CG1 4.5Å; M15-I19 WeakPolarHBondContact O-CG1 3.39Å; M15-I19 PolarHBondContact O-N 2.87Å
16L80.2Confident80.2Confident10 Ų1078.3 Ų78.35%0.05244%0.438CS..Hα-helixtrans-58.5-40-171.1-124.3139.6000112.5L12 E13 S18 I19 E20 V31 N35 L39L12-L16 WeakPolarHBondContact O-CB 3.39Å; L12-L16 PolarHBondContact O-N 2.71Å; E13-L16 WeakPolarHBondContact O-CB 3.44Å; E13-L16 PolarHBondContact O-N 3.11Å; L16-S18 PolarHBondContact O-N 3.34Å; L16-I19 PolarHBondContact O-N 3.35Å; L16-E20 WeakPolarHBondContact O-CB 3.5Å; L16-E20 WeakPolarHBondContact O-CG 3.37Å; L16-E20 PolarHBondContact O-N 3.47Å; L16-V31 HydrophobicContact CD2-CG1 3.32Å; L16-V31 HydrophobicContact CG-CG1 4.17Å; L16-N35 HydrophobicContact CD1-CB 3.87Å; L16-N35 HydrophobicContact CD2-CB 3.98Å; L16-L39 HydrophobicContact CD1-CD1 3.37Å
17G82.7Confident81Confident49 Ų4983.5 Ų83.551%0.50546%0.46SS..Hα-helixtrans-63.2-40.4175.300000113.2M15 A21M15-G17 VanDerWaalsContact C-N 3.31Å; M15-G17 PolarHBondContact O-N 2.87Å; G17-A21 PolarHBondContact O-N 3.42Å; G17-A21 VanDerWaalsContact O-N 3.17Å
18S85.2Confident81.5Confident80 Ų8082.3 Ų82.356%0.55945%0.452SS*.Hα-helixtrans-68.7-38.1175.3-54.20000111.9M15 L16 A21 I22M15-S18 WeakPolarHBondContact O-CB 3.49Å; M15-S18 PolarHBondContact O-N 2.88Å; L16-S18 PolarHBondContact O-N 3.34Å; S18-A21 PolarHBondContact O-N 2.95Å; S18-I22 WeakPolarHBondContact O-CG1 3.33Å; S18-I22 PolarHBondContact O-N 3.45Å
19I82.1Confident82Confident61 Ų6182.5 Ų82.531%0.31346%0.46SS..Hα-helixtrans-65.2-44.6176.4-68.5166.9000110.3M15 L16 A21 I22 L23M15-I19 HydrophobicContact CB-CD1 4.02Å; M15-I19 HydrophobicContact CB-CG1 4.5Å; M15-I19 WeakPolarHBondContact O-CG1 3.39Å; M15-I19 PolarHBondContact O-N 2.87Å; L16-I19 PolarHBondContact O-N 3.35Å; I19-A21 VanDerWaalsContact C-N 3.3Å; I19-A21 PolarHBondContact O-N 3.48Å; I19-I22 PolarHBondContact O-N 2.81Å; I19-L23 HydrophobicContact CG2-CD1 3.52Å; I19-L23 HydrophobicContact CG2-CG 4.18Å; I19-L23 WeakPolarHBondContact O-CB 3.36Å; I19-L23 WeakPolarHBondContact O-CD1 3.21Å; I19-L23 WeakPolarHBondContact O-CG 3.36Å; I19-L23 PolarHBondContact O-N 2.88Å; I19-L23 VanDerWaalsContact O-N 3.08Å
20E81.2Confident82.6Confident63 Ų6386 Ų8629%0.29448%0.484SS..Hα-helixtrans-61.2-36.4177.1-78.1178.6177.800113.1L16 I22 L23 R28 V31L16-E20 WeakPolarHBondContact O-CB 3.5Å; L16-E20 WeakPolarHBondContact O-CG 3.37Å; L16-E20 PolarHBondContact O-N 3.47Å; E20-I22 VanDerWaalsContact C-N 3.35Å; E20-I22 PolarHBondContact O-N 3.44Å; E20-L23 PolarHBondContact O-N 3.35Å; E20-R28 PolarHBondContact O-NE 2.94Å; E20-V31 HydrophobicContact CG-CG1 4.11Å
21A84.1Confident82.9Confident73 Ų7380.1 Ų80.160%0.60347%0.465SS*.Hα-helixtrans-64.4-37.7178.900000112.7G17 S18 I19G17-A21 PolarHBondContact O-N 3.42Å; G17-A21 VanDerWaalsContact O-N 3.17Å; S18-A21 PolarHBondContact O-N 2.95Å; I19-A21 VanDerWaalsContact C-N 3.3Å; I19-A21 PolarHBondContact O-N 3.48Å
22I88Confident83Confident149 Ų14979.7 Ų79.776%0.76447%0.468SS*.Hα-helixtrans-87-20.4-177.6-57.8166.1000111.4S18 I19 E20S18-I22 WeakPolarHBondContact O-CG1 3.33Å; S18-I22 PolarHBondContact O-N 3.45Å; I19-I22 PolarHBondContact O-N 2.81Å; E20-I22 VanDerWaalsContact C-N 3.35Å; E20-I22 PolarHBondContact O-N 3.44Å
23L84.6Confident83.4Confident44 Ų4481.8 Ų81.823%0.2348%0.476CS..SBendtrans-74139.2-176.2-83.3168.2000113.5I19 E20 K27 R28 V31I19-L23 HydrophobicContact CG2-CD1 3.52Å; I19-L23 HydrophobicContact CG2-CG 4.18Å; I19-L23 WeakPolarHBondContact O-CB 3.36Å; I19-L23 WeakPolarHBondContact O-CD1 3.21Å; I19-L23 WeakPolarHBondContact O-CG 3.36Å; I19-L23 PolarHBondContact O-N 2.88Å; I19-L23 VanDerWaalsContact O-N 3.08Å; E20-L23 PolarHBondContact O-N 3.35Å; L23-K27 HydrophobicContact CD2-CB 4.12Å; L23-R28 HydrophobicContact CB-CG 4.32Å; L23-R28 PolarHBondContact O-NE 3.03Å; L23-V31 HydrophobicContact CD1-CB 4.19Å; L23-V31 HydrophobicContact CD1-CG2 3.37Å
24P86.8Confident83.6Confident85 Ų8582.4 Ų82.455%0.55248%0.478SS*.  trans-55.5141.6167.1-22.832.5000111.3A26 K27P24-A26 PolarHBondContact O-N 3.14Å; P24-K27 PolarHBondContact O-N 3.36Å
25H83Confident83.4Confident155 Ų15580.2 Ų80.272%0.71846%0.46SS*.Hα-helixtrans-49.8-39.3-175.8-169.7-79.8000113K27 R28H25-K27 PolarHBondContact O-N 2.9Å; H25-R28 PolarHBondContact O-N 3.28Å
26A84Confident83.4Confident91 Ų9177.4 Ų77.475%0.75245%0.454SS*.Hα-helixtrans-62.2-23.7179.200000114.8P24P24-A26 PolarHBondContact O-N 3.14Å
27K84.5Confident83.5Confident129 Ų12982.4 Ų82.456%0.56148%0.477SS*.Hα-helixtrans-98.9-12.6-178.6-65.2-66.1-175-179.70113.4L23 P24 H25 A29 C30 V31L23-K27 HydrophobicContact CD2-CB 4.12Å; P24-K27 PolarHBondContact O-N 3.36Å; H25-K27 PolarHBondContact O-N 2.9Å; K27-A29 VanDerWaalsContact C-N 3.3Å; K27-A29 PolarHBondContact O-N 3.48Å; K27-C30 WeakPolarHBondContact O-CB 3.43Å; K27-C30 PolarHBondContact O-N 2.99Å; K27-C30 VanDerWaalsContact O-N 3.11Å; K27-V31 PolarHBondContact O-N 2.7Å
28R83.7Confident83.3Confident101 Ų10183.1 Ų83.138%0.38147%0.472SS..Hα-helixtrans-58.7-41-179.8-66.9-176.2-178.8176.9-2.2112.2E20 L23 H25 C30 V31 V32E20-R28 PolarHBondContact O-NE 2.94Å; L23-R28 HydrophobicContact CB-CG 4.32Å; L23-R28 PolarHBondContact O-NE 3.03Å; H25-R28 PolarHBondContact O-N 3.28Å; R28-C30 VanDerWaalsContact C-N 3.27Å; R28-C30 PolarHBondContact O-N 3.43Å; R28-V31 PolarHBondContact O-N 3.3Å; R28-V31 VanDerWaalsContact O-N 3.13Å; R28-V32 WeakPolarHBondContact O-CG2 3.23Å; R28-V32 PolarHBondContact O-N 2.88Å
29A84.2Confident82.9Confident71 Ų7179.6 Ų79.659%0.58745%0.447SS*.Hα-helixtrans-57.3-38.6176.600000113K27 V32 Q33K27-A29 VanDerWaalsContact C-N 3.3Å; K27-A29 PolarHBondContact O-N 3.48Å; A29-V32 PolarHBondContact O-N 3.44Å; A29-Q33 WeakPolarHBondContact O-CB 3.33Å; A29-Q33 PolarHBondContact O-N 2.85Å
30C84.6Confident82.8Confident80 Ų8082.4 Ų82.454%0.54146%0.457SS..Hα-helixtrans-66.3-40177.9-178.10000111.9K27 R28 Q33 F34K27-C30 WeakPolarHBondContact O-CB 3.43Å; K27-C30 PolarHBondContact O-N 2.99Å; K27-C30 VanDerWaalsContact O-N 3.11Å; R28-C30 VanDerWaalsContact C-N 3.27Å; R28-C30 PolarHBondContact O-N 3.43Å; C30-Q33 PolarHBondContact O-N 3.05Å; C30-F34 WeakPolarHBondContact O-CB 3.44Å; C30-F34 PolarHBondContact O-N 3.19Å
31V81.8Confident82.6Confident28 Ų2882.7 Ų82.717%0.1746%0.46CS..Hα-helixtrans-69.2-41.1177.6168.40000111.9L16 E20 L23 K27 R28 Q33 F34 N35L16-V31 HydrophobicContact CD2-CG1 3.32Å; L16-V31 HydrophobicContact CG-CG1 4.17Å; E20-V31 HydrophobicContact CG-CG1 4.11Å; L23-V31 HydrophobicContact CD1-CB 4.19Å; L23-V31 HydrophobicContact CD1-CG2 3.37Å; K27-V31 PolarHBondContact O-N 2.7Å; R28-V31 PolarHBondContact O-N 3.3Å; R28-V31 VanDerWaalsContact O-N 3.13Å; V31-Q33 VanDerWaalsContact C-N 3.3Å; V31-Q33 PolarHBondContact O-N 3.4Å; V31-F34 PolarHBondContact O-N 2.79Å; V31-N35 WeakPolarHBondContact O-CB 3.38Å; V31-N35 PolarHBondContact O-N 3.23Å
32V82.7Confident82.2Confident78 Ų7880.6 Ų80.647%0.47344%0.439SS..Hα-helixtrans-59.4-44172.3173.20000110.6R28 A29 N35 A36R28-V32 WeakPolarHBondContact O-CG2 3.23Å; R28-V32 PolarHBondContact O-N 2.88Å; A29-V32 PolarHBondContact O-N 3.44Å; V32-N35 PolarHBondContact O-N 2.86Å; V32-A36 WeakPolarHBondContact O-CB 3.43Å; V32-A36 PolarHBondContact O-N 3.18Å
33Q83.9Confident81.4Confident103 Ų10375.4 Ų75.448%0.48142%0.415SS..Hα-helixtrans-65.3-45.9177.1-175178.6-4.500112.2A29 C30 V31 N35 A36 Q37A29-Q33 WeakPolarHBondContact O-CB 3.33Å; A29-Q33 PolarHBondContact O-N 2.85Å; C30-Q33 PolarHBondContact O-N 3.05Å; V31-Q33 VanDerWaalsContact C-N 3.3Å; V31-Q33 PolarHBondContact O-N 3.4Å; Q33-N35 VanDerWaalsContact C-N 3.32Å; Q33-N35 PolarHBondContact O-N 3.33Å; Q33-A36 PolarHBondContact O-N 3.3Å; Q33-Q37 VanDerWaalsContact CG-CD 3.45Å; Q33-Q37 HydrophobicContact CG-CG 4.07Å; Q33-Q37 VanDerWaalsContact CG-OE1 3.25Å; Q33-Q37 VanDerWaalsContact O-CB 3.28Å; Q33-Q37 WeakPolarHBondContact O-CB 3.38Å; Q33-Q37 WeakPolarHBondContact O-CG 3.37Å; Q33-Q37 PolarHBondContact O-N 3.15Å
34F82.5Confident80.8Confident92 Ų9278 Ų7840%0.40443%0.426SS..Hα-helixtrans-60-42.2176.1174.5-102.1000111.8C30 V31 T38 L39C30-F34 WeakPolarHBondContact O-CB 3.44Å; C30-F34 PolarHBondContact O-N 3.19Å; V31-F34 PolarHBondContact O-N 2.79Å; F34-T38 HydrophobicContact CD2-CG2 4.27Å; F34-T38 HydrophobicContact CE2-CG2 3.7Å; F34-T38 HydrophobicContact CZ-CG2 4.21Å; F34-T38 WeakPolarHBondContact O-CA 3.28Å; F34-T38 VanDerWaalsContact O-CB 3.23Å; F34-T38 WeakPolarHBondContact O-CB 3.4Å; F34-T38 PolarHBondContact O-N 3.01Å; F34-L39 HydrophobicContact CD1-CD1 4.11Å; F34-L39 HydrophobicContact CD1-CG 4.14Å; F34-L39 HydrophobicContact CE1-CD1 3.81Å; F34-L39 HydrophobicContact CE1-CD2 3.96Å; F34-L39 HydrophobicContact CE1-CG 3.66Å; F34-L39 HydrophobicContact CZ-CD2 4.27Å; F34-L39 HydrophobicContact CZ-CG 4.28Å; F34-L39 PolarHBondContact O-N 3.36Å
35N80.1Confident80.1Confident34 Ų3479.4 Ų79.418%0.18243%0.427CS..Hα-helixtrans-59.8-50.8174.1-173.824.2000111.1L16 V31 V32 Q33 L39 K40L16-N35 HydrophobicContact CD1-CB 3.87Å; L16-N35 HydrophobicContact CD2-CB 3.98Å; V31-N35 WeakPolarHBondContact O-CB 3.38Å; V31-N35 PolarHBondContact O-N 3.23Å; V32-N35 PolarHBondContact O-N 2.86Å; Q33-N35 VanDerWaalsContact C-N 3.32Å; Q33-N35 PolarHBondContact O-N 3.33Å; N35-L39 PolarHBondContact O-N 3.42Å; N35-K40 WeakPolarHBondContact O-CG 3.33Å; N35-K40 PolarHBondContact O-N 3.34Å
36A81.6Confident79.6Confident50 Ų5073.1 Ų73.141%0.41340%0.397SS..Hα-helixtrans-66.6-41.6-177.600000113.7V32 Q33V32-A36 WeakPolarHBondContact O-CB 3.43Å; V32-A36 PolarHBondContact O-N 3.18Å; Q33-A36 PolarHBondContact O-N 3.3Å
37Q81.7Confident79Confident114 Ų11471.8 Ų71.853%0.53338%0.377SS..Hα-helixtrans-97.4-17.1-171.2-64.6-176.2-19.600113.9Q33 L41Q33-Q37 VanDerWaalsContact CG-CD 3.45Å; Q33-Q37 HydrophobicContact CG-CG 4.07Å; Q33-Q37 VanDerWaalsContact CG-OE1 3.25Å; Q33-Q37 VanDerWaalsContact O-CB 3.28Å; Q33-Q37 WeakPolarHBondContact O-CB 3.38Å; Q33-Q37 WeakPolarHBondContact O-CG 3.37Å; Q33-Q37 PolarHBondContact O-N 3.15Å; Q37-L41 WeakPolarHBondContact O-CD1 3.3Å; Q37-L41 WeakPolarHBondContact O-CG 3.5Å
38T78.9Confident78.5Confident65 Ų6572.7 Ų72.740%0.39938%0.381SS..THydrogen-bonded Turntrans-121.9-60.2-177-53.90000111.3F34 K40 L41 V42F34-T38 HydrophobicContact CD2-CG2 4.27Å; F34-T38 HydrophobicContact CE2-CG2 3.7Å; F34-T38 HydrophobicContact CZ-CG2 4.21Å; F34-T38 WeakPolarHBondContact O-CA 3.28Å; F34-T38 VanDerWaalsContact O-CB 3.23Å; F34-T38 WeakPolarHBondContact O-CB 3.4Å; F34-T38 PolarHBondContact O-N 3.01Å; T38-K40 PolarHBondContact O-N 3.49Å; T38-L41 PolarHBondContact O-N 3.31Å; T38-L41 VanDerWaalsContact O-N 3.15Å; T38-V42 WeakPolarHBondContact O-CG2 3.48Å; T38-V42 PolarHBondContact O-N 3.11Å
39L77.8Confident78.2Confident6 Ų670.6 Ų70.63%0.03138%0.379CS..G310 helixtrans-62.9-47.5-175-67.3176.6000112.3L12 E13 L16 F34 N35 L41 V42 P43L12-L39 HydrophobicContact CB-CD1 3.99Å; L12-L39 HydrophobicContact CB-CD2 4.04Å; L12-L39 HydrophobicContact CD1-CD2 4.22Å; E13-L39 HydrophobicContact CG-CB 4.26Å; E13-L39 HydrophobicContact CG-CD1 4.17Å; L16-L39 HydrophobicContact CD1-CD1 3.37Å; F34-L39 HydrophobicContact CD1-CD1 4.11Å; F34-L39 HydrophobicContact CD1-CG 4.14Å; F34-L39 HydrophobicContact CE1-CD1 3.81Å; F34-L39 HydrophobicContact CE1-CD2 3.96Å; F34-L39 HydrophobicContact CE1-CG 3.66Å; F34-L39 HydrophobicContact CZ-CD2 4.27Å; F34-L39 HydrophobicContact CZ-CG 4.28Å; F34-L39 PolarHBondContact O-N 3.36Å; N35-L39 PolarHBondContact O-N 3.42Å; L39-L41 PolarHBondContact O-N 3.2Å; L39-L41 VanDerWaalsContact O-N 3.16Å; L39-V42 PolarHBondContact O-N 3.34Å; L39-V42 VanDerWaalsContact O-N 3.11Å; L39-P43 VanDerWaalsContact O-CD 3.3Å; L39-P43 WeakPolarHBondContact O-CD 3.38Å
40K78.6Confident77.9Confident120 Ų12069.4 Ų69.452%0.52236%0.36SS..G310 helixtrans-64.2-19.2177.6-70.4-173.8-175.1179.60114.1N35 T38N35-K40 WeakPolarHBondContact O-CG 3.33Å; N35-K40 PolarHBondContact O-N 3.34Å; T38-K40 PolarHBondContact O-N 3.49Å
41L77Confident77.4Confident69 Ų6966 Ų6636%0.36134%0.339SS..G310 helixtrans-84.2-23.3176.2-62.3-170.4000113.2Q37 T38 L39 Q44 M45Q37-L41 WeakPolarHBondContact O-CD1 3.3Å; Q37-L41 WeakPolarHBondContact O-CG 3.5Å; T38-L41 PolarHBondContact O-N 3.31Å; T38-L41 VanDerWaalsContact O-N 3.15Å; L39-L41 PolarHBondContact O-N 3.2Å; L39-L41 VanDerWaalsContact O-N 3.16Å; L41-Q44 WeakPolarHBondContact O-CB 3.37Å; L41-Q44 PolarHBondContact O-N 2.82Å; L41-M45 PolarHBondContact O-N 2.77Å
42V75.8Confident77.2Confident28 Ų2869.6 Ų69.617%0.1736%0.356CS..Hα-helixtrans-58.1-45-177.7176.70000112.5R5 I6 T38 L39 Q44 M45 R46R5-V42 HydrophobicContact CB-CG1 4.47Å; I6-V42 HydrophobicContact CG1-CG1 4.28Å; T38-V42 WeakPolarHBondContact O-CG2 3.48Å; T38-V42 PolarHBondContact O-N 3.11Å; L39-V42 PolarHBondContact O-N 3.34Å; L39-V42 VanDerWaalsContact O-N 3.11Å; V42-Q44 VanDerWaalsContact C-N 3.28Å; V42-Q44 PolarHBondContact O-N 3.16Å; V42-M45 PolarHBondContact O-N 3.15Å; V42-R46 PolarHBondContact O-N 2.98Å
43P72Confident77.1Confident40 Ų4069.1 Ų69.126%0.2635%0.353SS..Hα-helixtrans-63.4-31.8174.2-23.134.9000113.5L39 R46 N47L39-P43 VanDerWaalsContact O-CD 3.3Å; L39-P43 WeakPolarHBondContact O-CD 3.38Å; P43-R46 WeakPolarHBondContact O-CB 2.97Å; P43-R46 PolarHBondContact O-N 3.03Å; P43-N47 PolarHBondContact O-N 3.41Å; P43-N47 PolarHBondContact O-OD1 2.97Å
44Q70.6Confident76.8Confident98 Ų9864.2 Ų64.246%0.45833%0.33SS..Hα-helixtrans-68.5-41177.8-57.5-179.38.900110.9L41 V42 R46 N47 F48L41-Q44 WeakPolarHBondContact O-CB 3.37Å; L41-Q44 PolarHBondContact O-N 2.82Å; V42-Q44 VanDerWaalsContact C-N 3.28Å; V42-Q44 PolarHBondContact O-N 3.16Å; Q44-R46 PolarHBondContact O-N 3.28Å; Q44-N47 WeakPolarHBondContact O-CA 3.28Å; Q44-N47 WeakPolarHBondContact O-CB 3.41Å; Q44-N47 PolarHBondContact O-N 2.94Å; Q44-F48 HydrophobicContact CB-CE2 4.5Å; Q44-F48 WeakPolarHBondContact O-CD2 3.48Å; Q44-F48 PolarHBondContact O-N 3.02Å; Q44-F48 VanDerWaalsContact O-N 3.14Å
45M73.4Confident76.6Confident115 Ų11565.1 Ų65.157%0.56733%0.331SS*.Hα-helixtrans-56.1-37.9174.4-69.9-174.2173.400112.5L41 V42 N47 F48 V49L41-M45 PolarHBondContact O-N 2.77Å; V42-M45 PolarHBondContact O-N 3.15Å; M45-N47 VanDerWaalsContact C-N 3.31Å; M45-N47 PolarHBondContact O-N 3.41Å; M45-F48 PolarHBondContact O-N 3.36Å; M45-V49 PolarHBondContact O-N 3.48Å
46R73Confident76.6Confident23 Ų2371.9 Ų71.99%0.08736%0.358CS..Hα-helixtrans-59.7-43174.4179.2-169.767.1-148.3-3.2111.4M2 I6 V42 P43 Q44 F48 V49 Y50M2-R46 HydrophobicContact SD-CB 4.46Å; M2-R46 HydrophobicContact SD-CG 4.4Å; I6-R46 HydrophobicContact CD1-CB 4.36Å; I6-R46 HydrophobicContact CD1-CG 4.23Å; V42-R46 PolarHBondContact O-N 2.98Å; P43-R46 WeakPolarHBondContact O-CB 2.97Å; P43-R46 PolarHBondContact O-N 3.03Å; Q44-R46 PolarHBondContact O-N 3.28Å; R46-F48 VanDerWaalsContact C-N 3.32Å; R46-F48 PolarHBondContact O-N 3.06Å; R46-V49 PolarHBondContact O-N 3.28Å; R46-Y50 HydrophobicContact CG-CD1 4.44Å; R46-Y50 HydrophobicContact CG-CD2 3.74Å; R46-Y50 HydrophobicContact CG-CE1 4.03Å; R46-Y50 HydrophobicContact CG-CE2 3.24Å; R46-Y50 HydrophobicContact CG-CG 4.31Å; R46-Y50 VanDerWaalsContact CG-CZ 3.41Å; R46-Y50 WeakPolarHBondContact O-CB 3.42Å; R46-Y50 PolarHBondContact O-N 3.44Å
47N71.2Confident76.6Confident64 Ų6470.8 Ų70.834%0.34235%0.349SS..Hα-helixtrans-63.9-39.5179.5-60.5-0.2000111P43 Q44 M45 G51 I115P43-N47 PolarHBondContact O-N 3.41Å; P43-N47 PolarHBondContact O-OD1 2.97Å; Q44-N47 WeakPolarHBondContact O-CA 3.28Å; Q44-N47 WeakPolarHBondContact O-CB 3.41Å; Q44-N47 PolarHBondContact O-N 2.94Å; M45-N47 VanDerWaalsContact C-N 3.31Å; M45-N47 PolarHBondContact O-N 3.41Å; N47-G51 PolarHBondContact O-N 3.45Å; N47-I115 HydrophobicContact CB-CG2 4.45Å; N47-I115 VanDerWaalsContact OD1-CD1 3.3Å; N47-I115 WeakPolarHBondContact OD1-CD1 3.02Å
48F74.1Confident76.6Confident148 Ų14865.4 Ų65.465%0.64932%0.324SS*.Hα-helixtrans-61.1-46.4173.3-72.4-72.2000112.3Q44 M45 R46 G51 I52Q44-F48 HydrophobicContact CB-CE2 4.5Å; Q44-F48 WeakPolarHBondContact O-CD2 3.48Å; Q44-F48 PolarHBondContact O-N 3.02Å; Q44-F48 VanDerWaalsContact O-N 3.14Å; M45-F48 PolarHBondContact O-N 3.36Å; R46-F48 VanDerWaalsContact C-N 3.32Å; R46-F48 PolarHBondContact O-N 3.06Å; F48-G51 PolarHBondContact O-N 3.36Å; F48-I52 WeakPolarHBondContact O-CG1 3.27Å; F48-I52 PolarHBondContact O-N 3Å
49V77.2Confident76.8Confident56 Ų5667.2 Ų67.234%0.33933%0.332SS..Hα-helixtrans-67.6-44.4179.7178.20000112M2 M45 R46 G51 I52 V53M2-V49 HydrophobicContact CE-CB 3.74Å; M2-V49 HydrophobicContact CE-CG1 3.74Å; M2-V49 HydrophobicContact CE-CG2 3.57Å; M2-V49 HydrophobicContact SD-CB 4.39Å; M45-V49 PolarHBondContact O-N 3.48Å; R46-V49 PolarHBondContact O-N 3.28Å; V49-G51 PolarHBondContact O-N 3.39Å; V49-I52 PolarHBondContact O-N 3.25Å; V49-V53 HydrophobicContact CG1-CG2 4.47Å; V49-V53 WeakPolarHBondContact O-CG2 3.36Å; V49-V53 PolarHBondContact O-N 3.34Å
50Y77Confident77Confident47 Ų4767.3 Ų67.318%0.18433%0.333CS..Hα-helixtrans-59.5-36.9173.1-69.5-12.1000111.7R46 V53 A54 S112 I115 L116R46-Y50 HydrophobicContact CG-CD1 4.44Å; R46-Y50 HydrophobicContact CG-CD2 3.74Å; R46-Y50 HydrophobicContact CG-CE1 4.03Å; R46-Y50 HydrophobicContact CG-CE2 3.24Å; R46-Y50 HydrophobicContact CG-CG 4.31Å; R46-Y50 VanDerWaalsContact CG-CZ 3.41Å; R46-Y50 WeakPolarHBondContact O-CB 3.42Å; R46-Y50 PolarHBondContact O-N 3.44Å; Y50-V53 PolarHBondContact O-N 2.96Å; Y50-A54 VanDerWaalsContact O-CB 3.29Å; Y50-A54 WeakPolarHBondContact O-CB 3.37Å; Y50-A54 PolarHBondContact O-N 3.2Å; Y50-S112 VanDerWaalsContact CE2-OG 3.28Å; Y50-S112 WeakPolarHBondContact CE2-OG 3.3Å; Y50-S112 PolarHBondContact OH-OG 3.04Å; Y50-I115 HydrophobicContact CD2-CG2 4.26Å; Y50-L116 HydrophobicContact CD1-CD2 4.23Å; Y50-L116 HydrophobicContact CD2-CG 4.34Å; Y50-L116 HydrophobicContact CG-CD2 3.95Å; Y50-L116 HydrophobicContact CG-CG 4.12Å
51G74.6Confident77.3Confident9 Ų969 Ų699%0.09334%0.342CS..Hα-helixtrans-63.3-43.3175.900000112.8N47 F48 V49 R55N47-G51 PolarHBondContact O-N 3.45Å; F48-G51 PolarHBondContact O-N 3.36Å; V49-G51 PolarHBondContact O-N 3.39Å; G51-R55 VanDerWaalsContact O-CB 3.28Å; G51-R55 WeakPolarHBondContact O-CB 3.31Å; G51-R55 WeakPolarHBondContact O-CG 3.3Å; G51-R55 PolarHBondContact O-N 3.47Å
52I77.4Confident78Confident103 Ų10366.6 Ų66.653%0.52833%0.334SS..Hα-helixtrans-63-45175-65.9166.5000110.8F48 V49 K56F48-I52 WeakPolarHBondContact O-CG1 3.27Å; F48-I52 PolarHBondContact O-N 3Å; V49-I52 PolarHBondContact O-N 3.25Å; I52-K56 HydrophobicContact CG2-CD 4.47Å; I52-K56 WeakPolarHBondContact O-CG 3.17Å; I52-K56 PolarHBondContact O-N 3.41Å; I52-K56 VanDerWaalsContact O-N 3.07Å
53V79.7Confident78.9Confident68 Ų6865.4 Ų65.441%0.41233%0.327SS..Hα-helixtrans-63-51179.6173.50000110.8V49 Y50 R55 K56 A57V49-V53 HydrophobicContact CG1-CG2 4.47Å; V49-V53 WeakPolarHBondContact O-CG2 3.36Å; V49-V53 PolarHBondContact O-N 3.34Å; Y50-V53 PolarHBondContact O-N 2.96Å; V53-R55 VanDerWaalsContact C-N 3.35Å; V53-R55 PolarHBondContact O-N 3.39Å; V53-K56 PolarHBondContact O-N 3.02Å; V53-A57 VanDerWaalsContact O-CB 3.26Å; V53-A57 WeakPolarHBondContact O-CB 3.37Å; V53-A57 PolarHBondContact O-N 3.03Å
54A79.4Confident80Confident0 Ų064.3 Ų64.30%032%0.321CS..Hα-helixtrans-61.6-41.8179.600000111.9Y50 K56 A57 F95 L116 V119Y50-A54 VanDerWaalsContact O-CB 3.29Å; Y50-A54 WeakPolarHBondContact O-CB 3.37Å; Y50-A54 PolarHBondContact O-N 3.2Å; A54-K56 VanDerWaalsContact C-N 3.29Å; A54-K56 PolarHBondContact O-N 3.32Å; A54-A57 PolarHBondContact O-N 3.13Å; A54-F95 HydrophobicContact CB-CE2 4.47Å; A54-F95 HydrophobicContact CB-CZ 4.36Å; A54-L116 HydrophobicContact CB-CD2 4.27Å; A54-V119 HydrophobicContact CB-CB 4.11Å; A54-V119 HydrophobicContact CB-CG1 4.14Å
55R77.3Confident81.2Confident111 Ų11165.8 Ų65.842%0.41933%0.328SS..Hα-helixtrans-65.8-29.5177.4-73.2179.5-167.8-97.5-5.1112.8G51 V53 V119 E122 K123G51-R55 VanDerWaalsContact O-CB 3.28Å; G51-R55 WeakPolarHBondContact O-CB 3.31Å; G51-R55 WeakPolarHBondContact O-CG 3.3Å; G51-R55 PolarHBondContact O-N 3.47Å; V53-R55 VanDerWaalsContact C-N 3.35Å; V53-R55 PolarHBondContact O-N 3.39Å; R55-V119 HydrophobicContact CG-CG1 3.83Å; R55-E122 IonicContact CZ-OE1 2.81Å; R55-E122 IonicContact NH2-OE1 3.52Å; R55-E122 PolarHBondContact NH2-OE1 2.88Å; R55-E122 IonicContact NH2-OE2 2.83Å; R55-K123 HydrophobicContact CB-CD 4.4Å; R55-K123 HydrophobicContact CG-CD 4.41Å; R55-K123 PolarHBondContact O-NZ 3.14Å
56K80.9Confident82.2Confident175 Ų17565.6 Ų65.676%0.76132%0.321SS*.Hα-helixtrans-86.1-28175.5-73.8-170.6174.5-170.80113.6I52 V53 A54 V58I52-K56 HydrophobicContact CG2-CD 4.47Å; I52-K56 WeakPolarHBondContact O-CG 3.17Å; I52-K56 PolarHBondContact O-N 3.41Å; I52-K56 VanDerWaalsContact O-N 3.07Å; V53-K56 PolarHBondContact O-N 3.02Å; A54-K56 VanDerWaalsContact C-N 3.29Å; A54-K56 PolarHBondContact O-N 3.32Å; K56-V58 VanDerWaalsContact C-N 3.35Å; K56-V58 PolarHBondContact O-N 3.24Å
57A80.6Confident83.4Confident27 Ų2764.5 Ų64.522%0.22332%0.317CS..Hα-helixtrans-73.9-24.4-173.100000113.9V53 A54 F95V53-A57 VanDerWaalsContact O-CB 3.26Å; V53-A57 WeakPolarHBondContact O-CB 3.37Å; V53-A57 PolarHBondContact O-N 3.03Å; A54-A57 PolarHBondContact O-N 3.13Å; A57-F95 HydrophobicContact CB-CD2 3.64Å; A57-F95 HydrophobicContact CB-CE2 3.93Å
58V82.7Confident84.6Confident1 Ų162.7 Ų62.71%0.00631%0.311CS..SBendtrans-104.2113.4177.6-175.20000109.3K56 C60 E91 F95 C120 K123 I124K56-V58 VanDerWaalsContact C-N 3.35Å; K56-V58 PolarHBondContact O-N 3.24Å; V58-C60 WeakPolarHBondContact CG1-SG 3.39Å; V58-C60 PolarHBondContact O-N 3.49Å; V58-E91 HydrophobicContact CG1-CB 3.83Å; V58-F95 HydrophobicContact CG2-CB 3.94Å; V58-F95 HydrophobicContact CG2-CD2 4.13Å; V58-F95 HydrophobicContact CG2-CG 3.97Å; V58-C120 VanDerWaalsContact CG2-SG 3.53Å; V58-K123 PolarHBondContact O-NZ 3.32Å; V58-I124 HydrophobicContact CG1-CD1 4.01Å
59N82.4Confident85.5Confident103 Ų10362.2 Ų62.255%0.55132%0.315SS*.  trans-91.792.5179.3-174.613.7000111H61 E91N59-H61 VanDerWaalsContact OD1-CB 3.24Å; N59-H61 WeakPolarHBondContact OD1-CB 3.32Å; N59-H61 PolarHBondContact OD1-N 3.29Å; N59-E91 PolarHBondContact N-OE2 3.22Å; N59-E91 WeakPolarHBondContact O-CG 3.49Å
60C82Confident86.4Confident8 Ų861.4 Ų61.45%0.05431%0.314CS..  trans-100.829.1174.8-62.50000112.6V58 G62 I63 I124 I127V58-C60 WeakPolarHBondContact CG1-SG 3.39Å; V58-C60 PolarHBondContact O-N 3.49Å; C60-G62 PolarHBondContact O-N 3.07Å; C60-I63 HydrophobicContact CB-CB 4.29Å; C60-I63 HydrophobicContact CB-CG1 3.93Å; C60-I63 WeakPolarHBondContact O-CB 3.04Å; C60-I63 WeakPolarHBondContact O-CG1 3.23Å; C60-I63 PolarHBondContact O-N 3.39Å; C60-I124 WeakPolarHBondContact SG-CD1 3.26Å; C60-I127 HydrophobicContact CB-CD1 3.35Å
61H86Confident87.1Confident156 Ų15664.4 Ų64.472%0.72233%0.333SS*.THydrogen-bonded Turntrans-57.3135.5177.9-172.467.1000111N59 I63N59-H61 VanDerWaalsContact OD1-CB 3.24Å; N59-H61 WeakPolarHBondContact OD1-CB 3.32Å; N59-H61 PolarHBondContact OD1-N 3.29Å; H61-I63 PolarHBondContact O-N 3.39Å; H61-I63 VanDerWaalsContact O-N 3.09Å
62G90.8Very high88.1Confident18 Ų1864.2 Ų64.219%0.18633%0.33CS..THydrogen-bonded Turntrans66.62.2-178.600000115.9C60 E65 R66C60-G62 PolarHBondContact O-N 3.07Å; G62-E65 PolarHBondContact O-N 3.02Å; G62-R66 WeakPolarHBondContact O-CB 3.27Å; G62-R66 WeakPolarHBondContact O-CG 3.39Å; G62-R66 PolarHBondContact O-N 3.41Å; G62-R66 PolarHBondContact O-NE 3Å
63I94.6Very high89Confident4 Ų463.6 Ų63.62%0.02133%0.327CS..Hα-helixtrans-65.5-46.6177.2-67.7-75.7000110.6C60 H61 E65 R66 I67 Y84 D87 V88 I127C60-I63 HydrophobicContact CB-CB 4.29Å; C60-I63 HydrophobicContact CB-CG1 3.93Å; C60-I63 WeakPolarHBondContact O-CB 3.04Å; C60-I63 WeakPolarHBondContact O-CG1 3.23Å; C60-I63 PolarHBondContact O-N 3.39Å; H61-I63 PolarHBondContact O-N 3.39Å; H61-I63 VanDerWaalsContact O-N 3.09Å; I63-E65 VanDerWaalsContact C-N 3.29Å; I63-E65 PolarHBondContact O-N 2.94Å; I63-R66 PolarHBondContact O-N 3.23Å; I63-I67 HydrophobicContact CG2-CD1 3.78Å; I63-I67 HydrophobicContact CG2-CG1 4.37Å; I63-I67 VanDerWaalsContact O-CG1 3.31Å; I63-I67 WeakPolarHBondContact O-CG1 3.49Å; I63-I67 PolarHBondContact O-N 3.45Å; I63-Y84 HydrophobicContact CG2-CD2 4.24Å; I63-D87 HydrophobicContact CD1-CB 4.12Å; I63-V88 HydrophobicContact CD1-CG2 4.01Å; I63-V88 HydrophobicContact CG1-CG2 4.39Å; I63-V88 HydrophobicContact CG2-CG2 4.05Å; I63-I127 HydrophobicContact CB-CG2 3.9Å; I63-I127 HydrophobicContact CG2-CG2 3.69Å
64A95.2Very high89.7Confident17 Ų1761.8 Ų61.814%0.1432%0.315CS..Hα-helixtrans-58.1-42.4177.300000111.8I67 A68 I127 E130 G131A64-I67 PolarHBondContact O-N 2.89Å; A64-A68 WeakPolarHBondContact O-CB 3.48Å; A64-A68 PolarHBondContact O-N 2.98Å; A64-I127 HydrophobicContact CB-CG2 4.14Å; A64-E130 HydrophobicContact CB-CB 4.43Å; A64-E130 HydrophobicContact CB-CG 4.16Å; A64-G131 WeakPolarHBondContact O-CA 3.3Å
65E95.1Very high90.3Very high128 Ų12868 Ų6860%0.59835%0.354SS*.Hα-helixtrans-64.9-41.2176.8-65.8174.7-175.200112.1G62 I63 I67 A68 N69G62-E65 PolarHBondContact O-N 3.02Å; I63-E65 VanDerWaalsContact C-N 3.29Å; I63-E65 PolarHBondContact O-N 2.94Å; E65-I67 VanDerWaalsContact C-N 3.34Å; E65-A68 PolarHBondContact O-N 2.9Å; E65-N69 VanDerWaalsContact O-CB 3.28Å; E65-N69 WeakPolarHBondContact O-CB 3.31Å; E65-N69 VanDerWaalsContact O-CG 3.26Å; E65-N69 PolarHBondContact O-N 3.03Å; E65-N69 PolarHBondContact O-ND2 3.25Å
66R95.2Very high91.1Very high112 Ų11269.9 Ų69.942%0.42337%0.367SS..Hα-helixtrans-64.4-38.8175.4-76.9-174.8-75.4-176.7-2.6112.4G62 I63 A70 D87G62-R66 WeakPolarHBondContact O-CB 3.27Å; G62-R66 WeakPolarHBondContact O-CG 3.39Å; G62-R66 PolarHBondContact O-N 3.41Å; G62-R66 PolarHBondContact O-NE 3Å; I63-R66 PolarHBondContact O-N 3.23Å; R66-A70 WeakPolarHBondContact O-CB 3.49Å; R66-A70 PolarHBondContact O-N 3.1Å; R66-D87 IonicContact CZ-OD2 3.54Å; R66-D87 IonicContact NH1-OD2 2.69Å; R66-D87 PolarHBondContact NH1-OD2 2.98Å; R66-D87 IonicContact NH2-OD2 3.76Å
67I97.3Very high91.7Very high0 Ų067.8 Ų67.80%036%0.364CS..Hα-helixtrans-63.7-49.7173-66.3166.7000109.5I63 A64 E65 N69 A70 W72 Y84 L128 F132I63-I67 HydrophobicContact CG2-CD1 3.78Å; I63-I67 HydrophobicContact CG2-CG1 4.37Å; I63-I67 VanDerWaalsContact O-CG1 3.31Å; I63-I67 WeakPolarHBondContact O-CG1 3.49Å; I63-I67 PolarHBondContact O-N 3.45Å; A64-I67 PolarHBondContact O-N 2.89Å; E65-I67 VanDerWaalsContact C-N 3.34Å; I67-N69 VanDerWaalsContact C-N 3.28Å; I67-N69 PolarHBondContact O-N 3.44Å; I67-A70 PolarHBondContact O-N 3.45Å; I67-W72 HydrophobicContact CG2-CZ2 3.9Å; I67-W72 PolarHBondContact O-NE1 3.47Å; I67-Y84 HydrophobicContact CD1-CD2 3.89Å; I67-Y84 HydrophobicContact CD1-CE2 3.69Å; I67-Y84 HydrophobicContact CD1-CG 4.45Å; I67-Y84 HydrophobicContact CG1-CD1 3.87Å; I67-Y84 HydrophobicContact CG1-CD2 3.79Å; I67-Y84 HydrophobicContact CG1-CE1 3.89Å; I67-Y84 HydrophobicContact CG1-CE2 3.81Å; I67-Y84 HydrophobicContact CG1-CG 3.84Å; I67-L128 HydrophobicContact CD1-CD2 3.84Å; I67-F132 HydrophobicContact CG2-CD1 3.45Å; I67-F132 VanDerWaalsContact CG2-CD1 3.45Å; I67-F132 HydrophobicContact CG2-CE1 3.71Å; I67-F132 HydrophobicContact CG2-CG 4.38Å
68A96Very high92.3Very high26 Ų2670.9 Ų70.922%0.21538%0.375CS..Hα-helixtrans-63.1-33-177.700000113.5A64 E65A64-A68 WeakPolarHBondContact O-CB 3.48Å; A64-A68 PolarHBondContact O-N 2.98Å; E65-A68 PolarHBondContact O-N 2.9Å
69N95Very high92.7Very high137 Ų13776.2 Ų76.273%0.73341%0.412SS*.Hα-helixtrans-92.2-5.5-179.6-67.2-36.2000114E65 I67E65-N69 VanDerWaalsContact O-CB 3.28Å; E65-N69 WeakPolarHBondContact O-CB 3.31Å; E65-N69 VanDerWaalsContact O-CG 3.26Å; E65-N69 PolarHBondContact O-N 3.03Å; E65-N69 PolarHBondContact O-ND2 3.25Å; I67-N69 VanDerWaalsContact C-N 3.28Å; I67-N69 PolarHBondContact O-N 3.44Å
70A94.4Very high93.3Very high39 Ų3978.1 Ų78.132%0.32242%0.417SS..SBendtrans-68.1155.3173.700000110.8R66 I67 W72R66-A70 WeakPolarHBondContact O-CB 3.49Å; R66-A70 PolarHBondContact O-N 3.1Å; I67-A70 PolarHBondContact O-N 3.45Å; A70-W72 HydrophobicContact CB-CZ2 4.26Å; A70-W72 PolarHBondContact O-N 3.35Å
71D93.4Very high94Very high111 Ų11180 Ų8059%0.59443%0.425SS*.  trans-78.7119.2173.5-170.79.1000110.2D73D71-D73 PolarHBondContact OD1-N 2.76Å
72W95.7Very high94.5Very high4 Ų473.6 Ų73.62%0.01540%0.398CS..  trans-115.12.5177.1-60.396.9000112.1I67 A70 L74 Y84 F132 V135 S138 S139 G142 L145 M146I67-W72 HydrophobicContact CG2-CZ2 3.9Å; I67-W72 PolarHBondContact O-NE1 3.47Å; A70-W72 HydrophobicContact CB-CZ2 4.26Å; A70-W72 PolarHBondContact O-N 3.35Å; W72-L74 VanDerWaalsContact C-N 3.34Å; W72-L74 PolarHBondContact O-N 3.45Å; W72-Y84 HydrophobicContact CH2-CE1 4.19Å; W72-Y84 HydrophobicContact CZ2-CE1 4.39Å; W72-F132 AromaticContact CH2-CE1 3.87Å; W72-F132 HydrophobicContact CH2-CE1 3.87Å; W72-F132 HydrophobicContact CZ2-CD1 4.32Å; W72-F132 AromaticContact CZ2-CE1 4Å; W72-F132 HydrophobicContact CZ2-CE1 4Å; W72-V135 HydrophobicContact CB-CG1 3.88Å; W72-V135 VanDerWaalsContact CD1-CG1 3.44Å; W72-V135 HydrophobicContact CG-CG1 3.79Å; W72-V135 HydrophobicContact CG-CG2 4.1Å; W72-V135 VanDerWaalsContact NE1-CG2 3.3Å; W72-S138 CarbonylContact O-C 3.56Å; W72-S138 VanDerWaalsContact O-CA 3.32Å; W72-S138 WeakPolarHBondContact O-CA 3.48Å; W72-S139 PolarHBondContact O-N 3.37Å; W72-S139 PolarHBondContact O-OG 3.16Å; W72-G142 WeakPolarHBondContact O-CA 3.33Å; W72-L145 HydrophobicContact CE3-CD2 4.48Å; W72-L145 HydrophobicContact CZ3-CB 4.22Å; W72-L145 HydrophobicContact CZ3-CD2 4.07Å; W72-L145 HydrophobicContact CZ3-CG 3.95Å; W72-M146 HydrophobicContact CB-CE 4.24Å; W72-M146 HydrophobicContact CD2-CE 3.48Å; W72-M146 VanDerWaalsContact CD2-CE 3.48Å; W72-M146 HydrophobicContact CD2-CG 4.28Å; W72-M146 HydrophobicContact CE3-CE 3.6Å; W72-M146 HydrophobicContact CE3-CG 3.52Å; W72-M146 HydrophobicContact CE3-SD 4.44Å; W72-M146 HydrophobicContact CG-CE 3.79Å; W72-M146 HydrophobicContact CH2-CG 3.78Å; W72-M146 HydrophobicContact CZ2-CG 4.5Å; W72-M146 HydrophobicContact CZ3-CB 4.15Å; W72-M146 HydrophobicContact CZ3-CE 4.2Å; W72-M146 HydrophobicContact CZ3-CG 3.23Å
73D94.4Very high94.7Very high90 Ų9076.3 Ų76.348%0.48142%0.419SS..  trans-98.362.2177.3-161.118.7000109.9D71D71-D73 PolarHBondContact OD1-N 2.76Å
74L94.7Very high94.7Very high30 Ų3076.8 Ų76.816%0.15742%0.42CS..  trans-83145.4-173.6-53.6178.7000111.2W72 M78 S139 E141 L145W72-L74 VanDerWaalsContact C-N 3.34Å; W72-L74 PolarHBondContact O-N 3.45Å; L74-M78 HydrophobicContact CD1-CG 3.72Å; L74-S139 PolarHBondContact N-OG 2.88Å; L74-S139 WeakPolarHBondContact O-CB 3.15Å; L74-S139 PolarHBondContact O-OG 3.49Å; L74-E141 HydrophobicContact CB-CB 3.96Å; L74-L145 HydrophobicContact CD1-CB 4.29Å; L74-L145 HydrophobicContact CD1-CD2 3.7Å
75T93.4Very high94.8Very high132 Ų13276 Ų7681%0.8141%0.414SS*.SBendtrans-93.8-19.5174.554.50000113.4
76E93.9Very high94.9Very high150 Ų15073.1 Ų73.170%0.70140%0.403SS*.SBendtrans-126.3147.7-176-66.3-173.9176.600110.9M78E76-M78 PolarHBondContact O-N 3Å
77L93.1Very high94.8Very high131 Ų13169.9 Ų69.969%0.68639%0.394SS*.  trans-73.1119.4176.5-166.281.9000109.9A144L77-A144 HydrophobicContact CD1-CB 3.65Å
78M93.1Very high94.8Very high92 Ų9270 Ų7045%0.45339%0.394SS..  trans-76.4139.4177.2-62.5-60.8-71.700111.4L74 E76 L145L74-M78 HydrophobicContact CD1-CG 3.72Å; E76-M78 PolarHBondContact O-N 3Å; M78-L145 HydrophobicContact CB-CD1 4.01Å; M78-L145 HydrophobicContact CG-CD2 4.24Å
79S92.1Very high94.8Very high112 Ų11269.7 Ų69.778%0.78339%0.389SS*.SBendtrans-97.6-13.4174.459.30000113.5
80Q94.9Very high94.8Very high143 Ų14369.3 Ų69.367%0.66838%0.381SS*.SBendtrans-114.3150.7179.5-64.7-171.7-7.200110.7L145 L148Q80-L145 VanDerWaalsContact O-CD1 3.29Å; Q80-L145 WeakPolarHBondContact O-CD1 3.44Å; Q80-L148 WeakPolarHBondContact O-CD2 3.35Å
81H95.6Very high94.8Very high48 Ų4870.1 Ų70.122%0.22238%0.378CS..  trans-73.7158.5173.558.5-96.6000112V85 D86 D149 H152H81-V85 HydrophobicContact CB-CB 4.33Å; H81-V85 HydrophobicContact CB-CG1 4.33Å; H81-V85 HydrophobicContact CB-CG2 4.27Å; H81-D86 IonicContact CD2-OD1 2.76Å; H81-D86 IonicContact CE1-OD1 3.83Å; H81-D86 IonicContact NE2-OD1 2.9Å; H81-D86 PolarHBondContact NE2-OD1 3.24Å; H81-D86 IonicContact NE2-OD2 3.97Å; H81-D149 WeakPolarHBondContact CA-OD1 3.49Å; H81-D149 WeakPolarHBondContact CB-OD1 3.49Å; H81-H152 HydrophobicContact CB-CB 4.36Å; H81-H152 AromaticContact CE1-CD2 3.61Å; H81-H152 AromaticContact CE1-CE1 3.74Å; H81-H152 AromaticContact CE1-NE2 3.46Å; H81-H152 PolarHBondContact CE1-NE2 2.77Å; H81-H152 AromaticContact ND1-CD2 3.57Å; H81-H152 AromaticContact ND1-CE1 3.74Å; H81-H152 AromaticContact ND1-CG 3.58Å; H81-H152 AromaticContact ND1-ND1 3.68Å; H81-H152 AromaticContact ND1-NE2 3.75Å
82S96.5Very high94.9Very high21 Ų2164.9 Ų64.915%0.14735%0.35CS..  trans-66.1146.8177.7-57.70000112.4Y84 V85 D149S82-Y84 VanDerWaalsContact CB-CD1 3.43Å; S82-Y84 PolarHBondContact O-N 2.83Å; S82-V85 VanDerWaalsContact O-CB 3.23Å; S82-V85 WeakPolarHBondContact O-CB 3.42Å; S82-V85 WeakPolarHBondContact O-CG2 3.34Å; S82-V85 PolarHBondContact O-N 3.34Å; S82-D149 VanDerWaalsContact CB-OD2 3.25Å; S82-D149 WeakPolarHBondContact CB-OD2 3.41Å; S82-D149 PolarHBondContact N-OD1 2.88Å; S82-D149 PolarHBondContact OG-OD1 3.25Å; S82-D149 PolarHBondContact OG-OD2 3.35Å
83A94.9Very high94.9Very high76 Ų7667.9 Ų67.963%0.62837%0.368SS*.Hα-helixtrans-56.7-29.8-177.100000115V85 D86A83-V85 PolarHBondContact O-N 3.23Å; A83-D86 PolarHBondContact O-N 2.89Å
84Y95.7Very high94.8Very high13 Ų1366.1 Ų66.15%0.05137%0.366CS..Hα-helixtrans-64-25.5177.578.7-94.8000112.4I63 I67 W72 S82 D86 D87 V88 L128 D149I63-Y84 HydrophobicContact CG2-CD2 4.24Å; I67-Y84 HydrophobicContact CD1-CD2 3.89Å; I67-Y84 HydrophobicContact CD1-CE2 3.69Å; I67-Y84 HydrophobicContact CD1-CG 4.45Å; I67-Y84 HydrophobicContact CG1-CD1 3.87Å; I67-Y84 HydrophobicContact CG1-CD2 3.79Å; I67-Y84 HydrophobicContact CG1-CE1 3.89Å; I67-Y84 HydrophobicContact CG1-CE2 3.81Å; I67-Y84 HydrophobicContact CG1-CG 3.84Å; W72-Y84 HydrophobicContact CH2-CE1 4.19Å; W72-Y84 HydrophobicContact CZ2-CE1 4.39Å; S82-Y84 VanDerWaalsContact CB-CD1 3.43Å; S82-Y84 PolarHBondContact O-N 2.83Å; Y84-D86 VanDerWaalsContact C-N 3.32Å; Y84-D87 PolarHBondContact O-N 3.27Å; Y84-V88 HydrophobicContact CD2-CG2 4.4Å; Y84-V88 WeakPolarHBondContact O-CG2 3.38Å; Y84-V88 PolarHBondContact O-N 3.45Å; Y84-L128 HydrophobicContact CE2-CD2 3.69Å; Y84-D149 WeakPolarHBondContact CE1-OD2 3.48Å; Y84-D149 WeakPolarHBondContact OH-CB 3.18Å; Y84-D149 PolarHBondContact OH-OD2 3.37Å
85V97.1Very high94.8Very high0 Ų064.8 Ų64.80%036%0.359CS..Hα-helixtrans-63.3-41.7177.7170.50000110.1H81 S82 A83 D87 V88 I89 D149 H152 L153H81-V85 HydrophobicContact CB-CB 4.33Å; H81-V85 HydrophobicContact CB-CG1 4.33Å; H81-V85 HydrophobicContact CB-CG2 4.27Å; S82-V85 VanDerWaalsContact O-CB 3.23Å; S82-V85 WeakPolarHBondContact O-CB 3.42Å; S82-V85 WeakPolarHBondContact O-CG2 3.34Å; S82-V85 PolarHBondContact O-N 3.34Å; A83-V85 PolarHBondContact O-N 3.23Å; V85-D87 VanDerWaalsContact C-N 3.31Å; V85-D87 PolarHBondContact O-N 3.14Å; V85-V88 PolarHBondContact O-N 3.47Å; V85-I89 HydrophobicContact CG1-CD1 3.77Å; V85-I89 VanDerWaalsContact O-CG1 3.26Å; V85-I89 WeakPolarHBondContact O-CG1 3.29Å; V85-I89 PolarHBondContact O-N 3.28Å; V85-D149 HydrophobicContact CG2-CB 3.64Å; V85-H152 HydrophobicContact CG1-CB 4.26Å; V85-L153 HydrophobicContact CB-CD2 4.46Å; V85-L153 HydrophobicContact CG1-CD2 3.8Å; V85-L153 HydrophobicContact CG1-CG 3.91Å; V85-L153 HydrophobicContact CG2-CD1 4.45Å; V85-L153 HydrophobicContact CG2-CG 4.35Å
86D96Very high94.9Very high69 Ų6959.6 Ų59.637%0.36933%0.327SS..Hα-helixtrans-63.6-38.7176.2-67-39000111.6H81 A83 Y84 I89 K90H81-D86 IonicContact CD2-OD1 2.76Å; H81-D86 IonicContact CE1-OD1 3.83Å; H81-D86 IonicContact NE2-OD1 2.9Å; H81-D86 PolarHBondContact NE2-OD1 3.24Å; H81-D86 IonicContact NE2-OD2 3.97Å; A83-D86 PolarHBondContact O-N 2.89Å; Y84-D86 VanDerWaalsContact C-N 3.32Å; D86-I89 PolarHBondContact O-N 2.78Å; D86-K90 VanDerWaalsContact O-CG 3.28Å; D86-K90 WeakPolarHBondContact O-CG 3.41Å; D86-K90 PolarHBondContact O-N 2.99Å
87D94.6Very high94.8Very high43 Ų4359.2 Ų59.223%0.2332%0.323CS..Hα-helixtrans-66.3-42177.1-71.2-17.2000111.9I63 R66 Y84 V85 I89 K90 E91I63-D87 HydrophobicContact CD1-CB 4.12Å; R66-D87 IonicContact CZ-OD2 3.54Å; R66-D87 IonicContact NH1-OD2 2.69Å; R66-D87 PolarHBondContact NH1-OD2 2.98Å; R66-D87 IonicContact NH2-OD2 3.76Å; Y84-D87 PolarHBondContact O-N 3.27Å; V85-D87 VanDerWaalsContact C-N 3.31Å; V85-D87 PolarHBondContact O-N 3.14Å; D87-I89 VanDerWaalsContact C-N 3.32Å; D87-I89 PolarHBondContact O-N 3.5Å; D87-K90 PolarHBondContact O-N 3.41Å; D87-K90 IonicContact OD1-NZ 3.13Å; D87-K90 PolarHBondContact OD1-NZ 2.85Å; D87-E91 WeakPolarHBondContact O-CG 3.4Å; D87-E91 PolarHBondContact O-N 3.05Å; D87-E91 VanDerWaalsContact O-N 3.16Å
88V96.1Very high94.7Very high2 Ų256.8 Ų56.81%0.01231%0.308CS..Hα-helixtrans-61.5-42.8172.5174.80000110.4I63 Y84 V85 K90 E91 L92 I124 L153I63-V88 HydrophobicContact CD1-CG2 4.01Å; I63-V88 HydrophobicContact CG1-CG2 4.39Å; I63-V88 HydrophobicContact CG2-CG2 4.05Å; Y84-V88 HydrophobicContact CD2-CG2 4.4Å; Y84-V88 WeakPolarHBondContact O-CG2 3.38Å; Y84-V88 PolarHBondContact O-N 3.45Å; V85-V88 PolarHBondContact O-N 3.47Å; V88-K90 PolarHBondContact O-N 2.88Å; V88-E91 PolarHBondContact O-N 3.4Å; V88-L92 HydrophobicContact CG1-CD1 4.02Å; V88-L92 HydrophobicContact CG1-CG 4.31Å; V88-L92 VanDerWaalsContact O-CG 3.3Å; V88-L92 WeakPolarHBondContact O-CG 3.43Å; V88-L92 PolarHBondContact O-N 3.46Å; V88-I124 HydrophobicContact CG1-CD1 3.88Å; V88-I124 HydrophobicContact CG1-CG1 4.31Å; V88-I124 HydrophobicContact CG1-CG2 3.98Å; V88-L153 HydrophobicContact CB-CD2 3.89Å; V88-L153 HydrophobicContact CG1-CD2 3.65Å
89I96.1Very high94.7Very high20 Ų2052.9 Ų52.910%0.10329%0.289CS..Hα-helixtrans-63.2-41.8178.4-70.3164.9000111.4V85 D86 D87 E91 L92 V93 L153 N156V85-I89 HydrophobicContact CG1-CD1 3.77Å; V85-I89 VanDerWaalsContact O-CG1 3.26Å; V85-I89 WeakPolarHBondContact O-CG1 3.29Å; V85-I89 PolarHBondContact O-N 3.28Å; D86-I89 PolarHBondContact O-N 2.78Å; D87-I89 VanDerWaalsContact C-N 3.32Å; D87-I89 PolarHBondContact O-N 3.5Å; I89-E91 VanDerWaalsContact C-N 3.29Å; I89-E91 PolarHBondContact O-N 3.26Å; I89-L92 PolarHBondContact O-N 3.01Å; I89-V93 HydrophobicContact CG2-CG2 4.28Å; I89-V93 WeakPolarHBondContact O-CG2 3.48Å; I89-V93 PolarHBondContact O-N 3.31Å; I89-L153 HydrophobicContact CG1-CD2 4.1Å; I89-N156 HydrophobicContact CD1-CB 4.21Å; I89-N156 WeakPolarHBondContact CD1-ND2 3.49Å; I89-N156 HydrophobicContact CG1-CB 4.03Å
90K95.3Very high94.6Very high129 Ų12952.7 Ų52.756%0.56128%0.275SS*.Hα-helixtrans-56.4-45.1174.8-72.4168.2-160.4157.70111.2D86 D87 V88 V93 A94D86-K90 VanDerWaalsContact O-CG 3.28Å; D86-K90 WeakPolarHBondContact O-CG 3.41Å; D86-K90 PolarHBondContact O-N 2.99Å; D87-K90 PolarHBondContact O-N 3.41Å; D87-K90 IonicContact OD1-NZ 3.13Å; D87-K90 PolarHBondContact OD1-NZ 2.85Å; V88-K90 PolarHBondContact O-N 2.88Å; K90-V93 PolarHBondContact O-N 3.37Å; K90-A94 PolarHBondContact O-N 2.59Å
91E94.2Very high94.4Very high57 Ų5751.1 Ų51.127%0.26627%0.269SS..Hα-helixtrans-64.5-41.1176.9-69.6-65.1134.500112.4V58 N59 D87 V88 I89 V93 A94 F95V58-E91 HydrophobicContact CG1-CB 3.83Å; N59-E91 PolarHBondContact N-OE2 3.22Å; N59-E91 WeakPolarHBondContact O-CG 3.49Å; D87-E91 WeakPolarHBondContact O-CG 3.4Å; D87-E91 PolarHBondContact O-N 3.05Å; D87-E91 VanDerWaalsContact O-N 3.16Å; V88-E91 PolarHBondContact O-N 3.4Å; I89-E91 VanDerWaalsContact C-N 3.29Å; I89-E91 PolarHBondContact O-N 3.26Å; E91-V93 PolarHBondContact O-N 2.94Å; E91-A94 PolarHBondContact O-N 3.31Å; E91-F95 WeakPolarHBondContact O-CB 3.22Å; E91-F95 PolarHBondContact O-N 3.23Å
92L95.6Very high94Very high0 Ų052.2 Ų52.20%028%0.276CS..Hα-helixtrans-65.3-37.5176.1-65.6171.8000112.3V88 I89 N96 W117 I124 I157 L160V88-L92 HydrophobicContact CG1-CD1 4.02Å; V88-L92 HydrophobicContact CG1-CG 4.31Å; V88-L92 VanDerWaalsContact O-CG 3.3Å; V88-L92 WeakPolarHBondContact O-CG 3.43Å; V88-L92 PolarHBondContact O-N 3.46Å; I89-L92 PolarHBondContact O-N 3.01Å; L92-N96 WeakPolarHBondContact O-CB 3.49Å; L92-N96 PolarHBondContact O-N 2.92Å; L92-W117 HydrophobicContact CD2-CZ3 4.05Å; L92-I124 HydrophobicContact CD2-CG1 4.26Å; L92-I157 HydrophobicContact CD1-CD1 4.41Å; L92-I157 HydrophobicContact CD1-CG1 3.69Å; L92-L160 HydrophobicContact CB-CD1 3.78Å
93V95.7Very high93.6Very high67 Ų6754.5 Ų54.541%0.40629%0.287SS..Hα-helixtrans-66.7-43.2174.8170.40000110.7I89 K90 E91 N96 K97 L160I89-V93 HydrophobicContact CG2-CG2 4.28Å; I89-V93 WeakPolarHBondContact O-CG2 3.48Å; I89-V93 PolarHBondContact O-N 3.31Å; K90-V93 PolarHBondContact O-N 3.37Å; E91-V93 PolarHBondContact O-N 2.94Å; V93-N96 PolarHBondContact O-N 3.5Å; V93-K97 PolarHBondContact O-N 2.95Å; V93-L160 HydrophobicContact CG2-CD1 4.01Å; V93-L160 HydrophobicContact CG2-CD2 4.26Å
94A93.4Very high93.4Very high53 Ų5355.1 Ų55.144%0.43829%0.292SS..Hα-helixtrans-61-45.5175.700000111.4K90 E91 N96 K97 Q98K90-A94 PolarHBondContact O-N 2.59Å; E91-A94 PolarHBondContact O-N 3.31Å; A94-N96 PolarHBondContact O-N 3.23Å; A94-K97 PolarHBondContact O-N 3.43Å; A94-Q98 PolarHBondContact O-N 2.94Å
95F93.6Very high92.9Very high3 Ų360.7 Ų60.71%0.01333%0.327CS..Hα-helixtrans-58.2-48174176.4-113.7000112.1A54 A57 V58 E91 K97 Q98 L99 L116 W117 C120A54-F95 HydrophobicContact CB-CE2 4.47Å; A54-F95 HydrophobicContact CB-CZ 4.36Å; A57-F95 HydrophobicContact CB-CD2 3.64Å; A57-F95 HydrophobicContact CB-CE2 3.93Å; V58-F95 HydrophobicContact CG2-CB 3.94Å; V58-F95 HydrophobicContact CG2-CD2 4.13Å; V58-F95 HydrophobicContact CG2-CG 3.97Å; E91-F95 WeakPolarHBondContact O-CB 3.22Å; E91-F95 PolarHBondContact O-N 3.23Å; F95-K97 VanDerWaalsContact C-N 3.34Å; F95-K97 PolarHBondContact O-N 3.18Å; F95-Q98 WeakPolarHBondContact O-CB 3.29Å; F95-Q98 PolarHBondContact O-N 2.89Å; F95-L99 HydrophobicContact CD1-CD1 4.1Å; F95-L99 HydrophobicContact CE1-CD1 3.53Å; F95-L99 HydrophobicContact CE1-CG 4.23Å; F95-L99 HydrophobicContact CE2-CD1 4.29Å; F95-L99 HydrophobicContact CE2-CD2 4.22Å; F95-L99 HydrophobicContact CE2-CG 4.17Å; F95-L99 HydrophobicContact CZ-CD1 3.66Å; F95-L99 HydrophobicContact CZ-CD2 4.18Å; F95-L99 HydrophobicContact CZ-CG 4.04Å; F95-L99 WeakPolarHBondContact O-CG 3.27Å; F95-L99 PolarHBondContact O-N 2.7Å; F95-L116 HydrophobicContact CZ-CB 4.21Å; F95-W117 HydrophobicContact CD1-CD2 4.35Å; F95-W117 HydrophobicContact CD1-CE3 4.17Å; F95-W117 AromaticContact CD1-CH2 3.83Å; F95-W117 HydrophobicContact CD1-CH2 3.83Å; F95-W117 HydrophobicContact CD1-CZ2 4.04Å; F95-W117 AromaticContact CD1-CZ3 3.91Å; F95-W117 HydrophobicContact CD1-CZ3 3.91Å; F95-W117 AromaticContact CE1-CD2 3.89Å; F95-W117 HydrophobicContact CE1-CD2 3.89Å; F95-W117 AromaticContact CE1-CE3 3.98Å; F95-W117 HydrophobicContact CE1-CE3 3.98Å; F95-W117 HydrophobicContact CE1-CG 4.44Å; F95-W117 HydrophobicContact CE1-CH2 4.35Å; F95-W117 HydrophobicContact CE1-CZ2 4.29Å; F95-W117 HydrophobicContact CE1-CZ3 4.21Å; F95-C120 HydrophobicContact CD1-CB 4.47Å; F95-C120 HydrophobicContact CE1-CB 3.9Å; F95-C120 HydrophobicContact CZ-CB 4.17Å
96N94.8Very high92.1Very high23 Ų2363.8 Ų63.812%0.12335%0.346CS..Hα-helixtrans-60.3-43.6178.2-171.248.7000112L92 V93 A94 Q98 L99 H100 W117 L160L92-N96 WeakPolarHBondContact O-CB 3.49Å; L92-N96 PolarHBondContact O-N 2.92Å; V93-N96 PolarHBondContact O-N 3.5Å; A94-N96 PolarHBondContact O-N 3.23Å; N96-Q98 VanDerWaalsContact C-N 3.32Å; N96-Q98 PolarHBondContact O-N 2.89Å; N96-L99 PolarHBondContact O-N 2.91Å; N96-H100 PolarHBondContact ND2-CD2 3.06Å; N96-H100 PolarHBondContact ND2-NE2 3.03Å; N96-H100 PolarHBondContact O-CD2 3.44Å; N96-H100 PolarHBondContact O-N 3.29Å; N96-H100 PolarHBondContact OD1-NE2 2.83Å; N96-W117 HydrophobicContact CB-CH2 4.04Å; N96-W117 HydrophobicContact CB-CZ2 3.73Å; N96-W117 WeakPolarHBondContact OD1-CZ2 3.24Å; N96-L160 HydrophobicContact CB-CD2 4.35Å
97K93.4Very high91.6Very high142 Ų14269.6 Ų69.662%0.61737%0.367SS*.Hα-helixtrans-59.6-43.6175.8-175.7178.6177.9-179.50111.3V93 A94 F95 L99 H100 M101V93-K97 PolarHBondContact O-N 2.95Å; A94-K97 PolarHBondContact O-N 3.43Å; F95-K97 VanDerWaalsContact C-N 3.34Å; F95-K97 PolarHBondContact O-N 3.18Å; K97-L99 PolarHBondContact O-N 2.97Å; K97-H100 PolarHBondContact O-N 3.41Å; K97-M101 WeakPolarHBondContact O-CG 3.33Å; K97-M101 PolarHBondContact O-N 3.31Å
98Q90.9Very high91.2Very high80 Ų8068.9 Ų68.937%0.37436%0.363SS..Hα-helixtrans-62.3-42.1176.6-170.6178.23.300112.2A94 F95 N96 H100 M101 I102A94-Q98 PolarHBondContact O-N 2.94Å; F95-Q98 WeakPolarHBondContact O-CB 3.29Å; F95-Q98 PolarHBondContact O-N 2.89Å; N96-Q98 VanDerWaalsContact C-N 3.32Å; N96-Q98 PolarHBondContact O-N 2.89Å; Q98-H100 VanDerWaalsContact C-N 3.33Å; Q98-H100 PolarHBondContact O-N 2.84Å; Q98-M101 HydrophobicContact CB-CE 4.38Å; Q98-M101 PolarHBondContact O-N 2.87Å; Q98-I102 HydrophobicContact CG-CD1 4.03Å; Q98-I102 WeakPolarHBondContact O-CG1 3.44Å; Q98-I102 PolarHBondContact O-N 3.43Å
99L91.6Very high90.8Very high10 Ų1071.4 Ų71.45%0.05238%0.381CS..Hα-helixtrans-60.5-41.7174.8-70.7-177000112.2F95 N96 K97 I102 N103 I108 L116F95-L99 HydrophobicContact CD1-CD1 4.1Å; F95-L99 HydrophobicContact CE1-CD1 3.53Å; F95-L99 HydrophobicContact CE1-CG 4.23Å; F95-L99 HydrophobicContact CE2-CD1 4.29Å; F95-L99 HydrophobicContact CE2-CD2 4.22Å; F95-L99 HydrophobicContact CE2-CG 4.17Å; F95-L99 HydrophobicContact CZ-CD1 3.66Å; F95-L99 HydrophobicContact CZ-CD2 4.18Å; F95-L99 HydrophobicContact CZ-CG 4.04Å; F95-L99 WeakPolarHBondContact O-CG 3.27Å; F95-L99 PolarHBondContact O-N 2.7Å; N96-L99 PolarHBondContact O-N 2.91Å; K97-L99 PolarHBondContact O-N 2.97Å; L99-I102 PolarHBondContact O-N 3.15Å; L99-N103 VanDerWaalsContact O-CB 3.27Å; L99-N103 WeakPolarHBondContact O-CB 3.47Å; L99-N103 PolarHBondContact O-N 3.36Å; L99-I108 HydrophobicContact CD2-CD1 4.32Å; L99-L116 HydrophobicContact CD2-CD1 3.77Å
100H91.7Very high90.4Very high107 Ų10779.8 Ų79.850%0.49542%0.417SS..Hα-helixtrans-63.9-43.3176.4-76.1-61000112.6N96 K97 Q98 N103 A104N96-H100 PolarHBondContact ND2-CD2 3.06Å; N96-H100 PolarHBondContact ND2-NE2 3.03Å; N96-H100 PolarHBondContact O-CD2 3.44Å; N96-H100 PolarHBondContact O-N 3.29Å; N96-H100 PolarHBondContact OD1-NE2 2.83Å; K97-H100 PolarHBondContact O-N 3.41Å; Q98-H100 VanDerWaalsContact C-N 3.33Å; Q98-H100 PolarHBondContact O-N 2.84Å; H100-N103 PolarHBondContact O-N 3.47Å; H100-A104 PolarHBondContact O-N 3.34Å; H100-A104 VanDerWaalsContact O-N 3.13Å
101M89.8Confident90Very high111 Ų11178.2 Ų78.255%0.54741%0.411SS..Hα-helixtrans-61.5-44.9176.4-68.9-172.1-61.800111.6K97 Q98 N103 A104K97-M101 WeakPolarHBondContact O-CG 3.33Å; K97-M101 PolarHBondContact O-N 3.31Å; Q98-M101 HydrophobicContact CB-CE 4.38Å; Q98-M101 PolarHBondContact O-N 2.87Å; M101-N103 VanDerWaalsContact C-N 3.34Å; M101-N103 PolarHBondContact O-N 3.18Å; M101-A104 PolarHBondContact O-N 2.98Å
102I87.1Confident89.6Confident71 Ų7175.8 Ų75.836%0.36440%0.4SS..Hα-helixtrans-64.2-42.5177.1-65.7167.1000110.3Q98 L99 A104 V105 V106 I108Q98-I102 HydrophobicContact CG-CD1 4.03Å; Q98-I102 WeakPolarHBondContact O-CG1 3.44Å; Q98-I102 PolarHBondContact O-N 3.43Å; L99-I102 PolarHBondContact O-N 3.15Å; I102-A104 PolarHBondContact O-N 3.37Å; I102-V105 PolarHBondContact O-N 2.89Å; I102-V105 VanDerWaalsContact O-N 3.07Å; I102-V106 CarbonylContact O-C 3.57Å; I102-V106 PolarHBondContact O-N 3.16Å; I102-V106 VanDerWaalsContact O-O 3.08Å; I102-I108 HydrophobicContact CB-CD1 4.22Å; I102-I108 HydrophobicContact CG2-CD1 3.92Å; I102-I108 HydrophobicContact CG2-CG1 4.31Å
103N88.9Confident89.3Confident69 Ų6978 Ų7837%0.36941%0.411SS..Hα-helixtrans-61.8-28.2179.9-173.763.1000113.5L99 H100 M101 V106 I108L99-N103 VanDerWaalsContact O-CB 3.27Å; L99-N103 WeakPolarHBondContact O-CB 3.47Å; L99-N103 PolarHBondContact O-N 3.36Å; H100-N103 PolarHBondContact O-N 3.47Å; M101-N103 VanDerWaalsContact C-N 3.34Å; M101-N103 PolarHBondContact O-N 3.18Å; N103-V106 WeakPolarHBondContact CA-O 3.35Å; N103-I108 HydrophobicContact CB-CB 4.45Å; N103-I108 HydrophobicContact CB-CD1 4.12Å; N103-I108 HydrophobicContact CB-CG1 4.12Å; N103-I108 PolarHBondContact OD1-N 3.07Å
104A88.9Confident89.2Confident89 Ų8979.2 Ų79.274%0.73641%0.411SS*.Hα-helixtrans-71.2-31.4175.300000112.9H100 M101 I102H100-A104 PolarHBondContact O-N 3.34Å; H100-A104 VanDerWaalsContact O-N 3.13Å; M101-A104 PolarHBondContact O-N 2.98Å; I102-A104 PolarHBondContact O-N 3.37Å
105V85.5Confident89Confident129 Ų12977.2 Ų77.278%0.78239%0.393SS*.Hα-helixtrans-90.9-41179.1-175.80000111.2I102I102-V105 PolarHBondContact O-N 2.89Å; I102-V105 VanDerWaalsContact O-N 3.07Å
106V81.7Confident88.9Confident66 Ų6677.5 Ų77.540%0.439%0.394SS..SBendtrans-136108.3-177.8-178.20000108.5I3 I102 N103 I108I3-V106 HydrophobicContact CD1-CG1 3.42Å; I3-V106 VanDerWaalsContact CD1-CG1 3.42Å; I102-V106 CarbonylContact O-C 3.57Å; I102-V106 PolarHBondContact O-N 3.16Å; I102-V106 VanDerWaalsContact O-O 3.08Å; N103-V106 WeakPolarHBondContact CA-O 3.35Å; V106-I108 PolarHBondContact O-N 3.17Å
107K85.3Confident88.9Confident190 Ų19076.4 Ų76.483%0.82639%0.388SS*.  trans-53.7114.9-179.1-171.5171.6-174.8172.10111.3
108I85.3Confident88.9Confident29 Ų2972.8 Ų72.815%0.14937%0.373CS..  trans-84.6125.7174.3-57.6179.5000107.3L99 I102 N103 V106 H113 L116L99-I108 HydrophobicContact CD2-CD1 4.32Å; I102-I108 HydrophobicContact CB-CD1 4.22Å; I102-I108 HydrophobicContact CG2-CD1 3.92Å; I102-I108 HydrophobicContact CG2-CG1 4.31Å; N103-I108 HydrophobicContact CB-CB 4.45Å; N103-I108 HydrophobicContact CB-CD1 4.12Å; N103-I108 HydrophobicContact CB-CG1 4.12Å; N103-I108 PolarHBondContact OD1-N 3.07Å; V106-I108 PolarHBondContact O-N 3.17Å; I108-H113 HydrophobicContact CG2-CB 4.08Å; I108-L116 HydrophobicContact CG2-CD1 4.43Å
109S87.2Confident88.9Confident54 Ų5469.9 Ų69.938%0.37836%0.361SS..  trans-65.6151.9174.579.60000110.8E111 S112 H113S109-E111 PolarHBondContact O-N 3.2Å; S109-S112 WeakPolarHBondContact O-CB 3.49Å; S109-S112 PolarHBondContact O-N 2.96Å; S109-S112 WeakPolarHBondContact OG-CB 3.34Å; S109-S112 PolarHBondContact OG-N 2.98Å; S109-S112 PolarHBondContact OG-OG 3.09Å; S109-H113 PolarHBondContact O-N 3.39Å
110K88.7Confident89Confident197 Ų19769.4 Ų69.486%0.85736%0.359SS*.Hα-helixtrans-53.5-38.8175.7-68.8-175.1177.6-177.60112.1H113 K114K110-H113 PolarHBondContact O-N 2.9Å; K110-K114 WeakPolarHBondContact O-CB 3.29Å; K110-K114 PolarHBondContact O-N 3.1Å
111E86.2Confident89.2Confident96 Ų9664.3 Ų64.345%0.44934%0.335SS..Hα-helixtrans-66.4-45177.4-173.758.4-160.400112.1S109 H113 K114 I115S109-E111 PolarHBondContact O-N 3.2Å; E111-H113 VanDerWaalsContact C-N 3.31Å; E111-H113 PolarHBondContact O-N 3.42Å; E111-K114 PolarHBondContact O-N 3.1Å; E111-I115 HydrophobicContact CG-CD1 4.08Å; E111-I115 VanDerWaalsContact O-CG1 3.31Å; E111-I115 WeakPolarHBondContact O-CG1 3.41Å; E111-I115 PolarHBondContact O-N 3.28Å
112S85.7Confident89.5Confident5 Ų563.3 Ų63.34%0.03533%0.329CS..Hα-helixtrans-58.9-44.1174.6-61.60000111.7Y50 S109 I115 L116Y50-S112 VanDerWaalsContact CE2-OG 3.28Å; Y50-S112 WeakPolarHBondContact CE2-OG 3.3Å; Y50-S112 PolarHBondContact OH-OG 3.04Å; S109-S112 WeakPolarHBondContact O-CB 3.49Å; S109-S112 PolarHBondContact O-N 2.96Å; S109-S112 WeakPolarHBondContact OG-CB 3.34Å; S109-S112 PolarHBondContact OG-N 2.98Å; S109-S112 PolarHBondContact OG-OG 3.09Å; S112-I115 PolarHBondContact O-N 2.98Å; S112-L116 WeakPolarHBondContact O-CD1 3.36Å; S112-L116 VanDerWaalsContact O-CG 3.27Å; S112-L116 WeakPolarHBondContact O-CG 3.25Å; S112-L116 PolarHBondContact O-N 2.84Å
113H90.8Very high89.8Confident47 Ų4761.9 Ų61.922%0.21832%0.32CS..Hα-helixtrans-61.3-45.3177.7-172.984.6000111.5I108 S109 K110 E111 I115 L116 W117I108-H113 HydrophobicContact CG2-CB 4.08Å; S109-H113 PolarHBondContact O-N 3.39Å; K110-H113 PolarHBondContact O-N 2.9Å; E111-H113 VanDerWaalsContact C-N 3.31Å; E111-H113 PolarHBondContact O-N 3.42Å; H113-I115 PolarHBondContact O-N 2.79Å; H113-L116 PolarHBondContact O-N 3.48Å; H113-W117 AromaticContact CD2-CD1 3.53Å; H113-W117 AromaticContact CD2-NE1 3.82Å; H113-W117 AromaticContact CE1-CD1 3.69Å; H113-W117 AromaticContact CE1-NE1 3.25Å; H113-W117 PolarHBondContact CE1-NE1 3.21Å; H113-W117 AromaticContact NE2-CD1 3.25Å; H113-W117 VanDerWaalsContact NE2-CD1 3.25Å; H113-W117 AromaticContact NE2-NE1 3.03Å; H113-W117 PolarHBondContact NE2-NE1 3.06Å; H113-W117 PolarHBondContact O-N 3Å; H113-W117 VanDerWaalsContact O-N 3.1Å
114K91.8Very high90.1Very high93 Ų9358.7 Ų58.740%0.40430%0.303SS..Hα-helixtrans-57.9-46.9175.4174.3175.1-178.5-169.30112.2K110 E111 W117 Q118 F163K110-K114 WeakPolarHBondContact O-CB 3.29Å; K110-K114 PolarHBondContact O-N 3.1Å; E111-K114 PolarHBondContact O-N 3.1Å; K114-W117 PolarHBondContact O-N 3.35Å; K114-Q118 HydrophobicContact CG-CG 4.45Å; K114-Q118 WeakPolarHBondContact O-CB 3.22Å; K114-Q118 VanDerWaalsContact O-CG 3.31Å; K114-Q118 WeakPolarHBondContact O-CG 3.42Å; K114-Q118 PolarHBondContact O-N 3.38Å; K114-F163 HydrophobicContact CG-CE1 3.99Å
115I89.2Confident90.5Very high11 Ų1154.6 Ų54.66%0.05627%0.269CS..Hα-helixtrans-65.1-42.2-179.1-67.1169000111.3N47 Y50 E111 S112 H113 W117 Q118 V119N47-I115 HydrophobicContact CB-CG2 4.45Å; N47-I115 VanDerWaalsContact OD1-CD1 3.3Å; N47-I115 WeakPolarHBondContact OD1-CD1 3.02Å; Y50-I115 HydrophobicContact CD2-CG2 4.26Å; E111-I115 HydrophobicContact CG-CD1 4.08Å; E111-I115 VanDerWaalsContact O-CG1 3.31Å; E111-I115 WeakPolarHBondContact O-CG1 3.41Å; E111-I115 PolarHBondContact O-N 3.28Å; S112-I115 PolarHBondContact O-N 2.98Å; H113-I115 PolarHBondContact O-N 2.79Å; I115-W117 VanDerWaalsContact C-N 3.33Å; I115-W117 PolarHBondContact O-N 3.27Å; I115-Q118 PolarHBondContact O-N 3.03Å; I115-V119 WeakPolarHBondContact O-CG2 3.4Å; I115-V119 PolarHBondContact O-N 2.98Å
116L91.9Very high91Very high8 Ų851.3 Ų51.34%0.04225%0.247CC..Hα-helixtrans-58.2-45.9176.3-75162.5000111.3Y50 A54 F95 L99 I108 S112 H113 C120Y50-L116 HydrophobicContact CD1-CD2 4.23Å; Y50-L116 HydrophobicContact CD2-CG 4.34Å; Y50-L116 HydrophobicContact CG-CD2 3.95Å; Y50-L116 HydrophobicContact CG-CG 4.12Å; A54-L116 HydrophobicContact CB-CD2 4.27Å; F95-L116 HydrophobicContact CZ-CB 4.21Å; L99-L116 HydrophobicContact CD2-CD1 3.77Å; I108-L116 HydrophobicContact CG2-CD1 4.43Å; S112-L116 WeakPolarHBondContact O-CD1 3.36Å; S112-L116 VanDerWaalsContact O-CG 3.27Å; S112-L116 WeakPolarHBondContact O-CG 3.25Å; S112-L116 PolarHBondContact O-N 2.84Å; H113-L116 PolarHBondContact O-N 3.48Å; L116-C120 VanDerWaalsContact O-CB 3.3Å; L116-C120 WeakPolarHBondContact O-CB 3.46Å; L116-C120 PolarHBondContact O-N 3.46Å
117W95Very high91.7Very high0 Ų049.2 Ų49.20%023%0.233CC..Hα-helixtrans-68.1-36.8175.6-83.6112.3000113.7L92 F95 N96 H113 K114 I115 C120 T121 L160 S161 F163L92-W117 HydrophobicContact CD2-CZ3 4.05Å; F95-W117 HydrophobicContact CD1-CD2 4.35Å; F95-W117 HydrophobicContact CD1-CE3 4.17Å; F95-W117 AromaticContact CD1-CH2 3.83Å; F95-W117 HydrophobicContact CD1-CH2 3.83Å; F95-W117 HydrophobicContact CD1-CZ2 4.04Å; F95-W117 AromaticContact CD1-CZ3 3.91Å; F95-W117 HydrophobicContact CD1-CZ3 3.91Å; F95-W117 AromaticContact CE1-CD2 3.89Å; F95-W117 HydrophobicContact CE1-CD2 3.89Å; F95-W117 AromaticContact CE1-CE3 3.98Å; F95-W117 HydrophobicContact CE1-CE3 3.98Å; F95-W117 HydrophobicContact CE1-CG 4.44Å; F95-W117 HydrophobicContact CE1-CH2 4.35Å; F95-W117 HydrophobicContact CE1-CZ2 4.29Å; F95-W117 HydrophobicContact CE1-CZ3 4.21Å; N96-W117 HydrophobicContact CB-CH2 4.04Å; N96-W117 HydrophobicContact CB-CZ2 3.73Å; N96-W117 WeakPolarHBondContact OD1-CZ2 3.24Å; H113-W117 AromaticContact CD2-CD1 3.53Å; H113-W117 AromaticContact CD2-NE1 3.82Å; H113-W117 AromaticContact CE1-CD1 3.69Å; H113-W117 AromaticContact CE1-NE1 3.25Å; H113-W117 PolarHBondContact CE1-NE1 3.21Å; H113-W117 AromaticContact NE2-CD1 3.25Å; H113-W117 VanDerWaalsContact NE2-CD1 3.25Å; H113-W117 AromaticContact NE2-NE1 3.03Å; H113-W117 PolarHBondContact NE2-NE1 3.06Å; H113-W117 PolarHBondContact O-N 3Å; H113-W117 VanDerWaalsContact O-N 3.1Å; K114-W117 PolarHBondContact O-N 3.35Å; I115-W117 VanDerWaalsContact C-N 3.33Å; I115-W117 PolarHBondContact O-N 3.27Å; W117-C120 PolarHBondContact O-N 2.9Å; W117-T121 VanDerWaalsContact O-CB 3.25Å; W117-T121 WeakPolarHBondContact O-CB 3.44Å; W117-T121 PolarHBondContact O-N 3.44Å; W117-T121 PolarHBondContact O-OG1 2.97Å; W117-L160 HydrophobicContact CH2-CB 3.55Å; W117-L160 HydrophobicContact CH2-CD1 4.37Å; W117-L160 HydrophobicContact CZ2-CB 3.89Å; W117-L160 HydrophobicContact CZ3-CB 4.34Å; W117-S161 VanDerWaalsContact CD2-CB 3.47Å; W117-F163 HydrophobicContact CB-CE1 4.44Å; W117-F163 HydrophobicContact CB-CE2 3.83Å; W117-F163 HydrophobicContact CB-CZ 3.51Å
118Q93.9Very high92.3Very high66 Ų6640.2 Ų40.231%0.30819%0.194SC..Hα-helixtrans-60.5-49.3175.5-79.2176-32.500111.3K114 I115 C120 T121 E122 F163 P167K114-Q118 HydrophobicContact CG-CG 4.45Å; K114-Q118 WeakPolarHBondContact O-CB 3.22Å; K114-Q118 VanDerWaalsContact O-CG 3.31Å; K114-Q118 WeakPolarHBondContact O-CG 3.42Å; K114-Q118 PolarHBondContact O-N 3.38Å; I115-Q118 PolarHBondContact O-N 3.03Å; Q118-C120 VanDerWaalsContact C-N 3.35Å; Q118-C120 PolarHBondContact O-N 3.08Å; Q118-T121 PolarHBondContact O-N 3.28Å; Q118-E122 WeakPolarHBondContact O-CB 3.28Å; Q118-E122 PolarHBondContact O-N 3.39Å; Q118-F163 HydrophobicContact CG-CZ 4.01Å; Q118-P167 HydrophobicContact CG-CG 3.86Å
119V91.6Very high92.9Very high19 Ų1938.9 Ų38.912%0.11519%0.187CC..Hα-helixtrans-66.4-39179.4178.60000111.8A54 R55 I115 K123A54-V119 HydrophobicContact CB-CB 4.11Å; A54-V119 HydrophobicContact CB-CG1 4.14Å; R55-V119 HydrophobicContact CG-CG1 3.83Å; I115-V119 WeakPolarHBondContact O-CG2 3.4Å; I115-V119 PolarHBondContact O-N 2.98Å; V119-K123 PolarHBondContact O-N 2.88Å
120C93.7Very high93.4Very high0 Ų041.9 Ų41.90%020%0.195CC..Hα-helixtrans-59-49.3173.4174.80000111.5V58 F95 L116 W117 Q118 K123 I124V58-C120 VanDerWaalsContact CG2-SG 3.53Å; F95-C120 HydrophobicContact CD1-CB 4.47Å; F95-C120 HydrophobicContact CE1-CB 3.9Å; F95-C120 HydrophobicContact CZ-CB 4.17Å; L116-C120 VanDerWaalsContact O-CB 3.3Å; L116-C120 WeakPolarHBondContact O-CB 3.46Å; L116-C120 PolarHBondContact O-N 3.46Å; W117-C120 PolarHBondContact O-N 2.9Å; Q118-C120 VanDerWaalsContact C-N 3.35Å; Q118-C120 PolarHBondContact O-N 3.08Å; C120-K123 WeakPolarHBondContact O-CB 3.36Å; C120-K123 PolarHBondContact O-N 3.43Å; C120-I124 PolarHBondContact O-N 2.96Å; C120-I124 VanDerWaalsContact O-N 3.1Å
121T95.5Very high93.8Very high1 Ų132.5 Ų32.51%0.00616%0.155CC..Hα-helixtrans-62.2-46-179.9-590000111.2W117 Q118 K123 I124 F125 I157 V166W117-T121 VanDerWaalsContact O-CB 3.25Å; W117-T121 WeakPolarHBondContact O-CB 3.44Å; W117-T121 PolarHBondContact O-N 3.44Å; W117-T121 PolarHBondContact O-OG1 2.97Å; Q118-T121 PolarHBondContact O-N 3.28Å; T121-K123 VanDerWaalsContact C-N 3.29Å; T121-K123 PolarHBondContact O-N 2.97Å; T121-I124 PolarHBondContact O-N 3.26Å; T121-I124 VanDerWaalsContact O-N 3.15Å; T121-F125 HydrophobicContact CG2-CD1 4.27Å; T121-F125 HydrophobicContact CG2-CD2 3.99Å; T121-F125 HydrophobicContact CG2-CE1 3.78Å; T121-F125 HydrophobicContact CG2-CE2 3.44Å; T121-F125 VanDerWaalsContact CG2-CE2 3.44Å; T121-F125 HydrophobicContact CG2-CG 4.38Å; T121-F125 HydrophobicContact CG2-CZ 3.35Å; T121-F125 WeakPolarHBondContact O-CD1 3.42Å; T121-F125 WeakPolarHBondContact O-CG 3.4Å; T121-F125 PolarHBondContact O-N 3.46Å; T121-I157 HydrophobicContact CG2-CD1 4.38Å; T121-I157 HydrophobicContact CG2-CG2 4.33Å; T121-V166 HydrophobicContact CG2-CG1 3.66Å
122E94.6Very high94.4Very high89 Ų8928 Ų2842%0.41613%0.134SC..Hα-helixtrans-58-41.4176-171.5-156.7129.800111.5R55 Q118 F125 N126R55-E122 IonicContact CZ-OE1 2.81Å; R55-E122 IonicContact NH2-OE1 3.52Å; R55-E122 PolarHBondContact NH2-OE1 2.88Å; R55-E122 IonicContact NH2-OE2 2.83Å; Q118-E122 WeakPolarHBondContact O-CB 3.28Å; Q118-E122 PolarHBondContact O-N 3.39Å; E122-F125 PolarHBondContact O-N 2.89Å; E122-N126 PolarHBondContact O-N 3.31Å; E122-N126 PolarHBondContact O-ND2 3.08Å
123K93.5Very high94.9Very high41 Ų4128.7 Ų28.718%0.17814%0.139CC..Hα-helixtrans-60.6-48174.8179.3-179175.6-174.90111.4R55 V58 V119 C120 T121 F125 N126 I127R55-K123 HydrophobicContact CB-CD 4.4Å; R55-K123 HydrophobicContact CG-CD 4.41Å; R55-K123 PolarHBondContact O-NZ 3.14Å; V58-K123 PolarHBondContact O-NZ 3.32Å; V119-K123 PolarHBondContact O-N 2.88Å; C120-K123 WeakPolarHBondContact O-CB 3.36Å; C120-K123 PolarHBondContact O-N 3.43Å; T121-K123 VanDerWaalsContact C-N 3.29Å; T121-K123 PolarHBondContact O-N 2.97Å; K123-F125 VanDerWaalsContact C-N 3.32Å; K123-F125 PolarHBondContact O-N 2.98Å; K123-N126 PolarHBondContact O-N 3.33Å; K123-I127 HydrophobicContact CG-CD1 4.04Å; K123-I127 WeakPolarHBondContact O-CG1 3.5Å; K123-I127 PolarHBondContact O-N 3.19Å; K123-I127 VanDerWaalsContact O-N 3.12Å
124I95.9Very high95.2Very high2 Ų228.2 Ų28.21%0.0115%0.147CC..Hα-helixtrans-59.4-45.7177.6-63.5-53.7000110.6V58 C60 V88 L92 C120 T121 N126 I127 L128V58-I124 HydrophobicContact CG1-CD1 4.01Å; C60-I124 WeakPolarHBondContact SG-CD1 3.26Å; V88-I124 HydrophobicContact CG1-CD1 3.88Å; V88-I124 HydrophobicContact CG1-CG1 4.31Å; V88-I124 HydrophobicContact CG1-CG2 3.98Å; L92-I124 HydrophobicContact CD2-CG1 4.26Å; C120-I124 PolarHBondContact O-N 2.96Å; C120-I124 VanDerWaalsContact O-N 3.1Å; T121-I124 PolarHBondContact O-N 3.26Å; T121-I124 VanDerWaalsContact O-N 3.15Å; I124-N126 PolarHBondContact O-N 3.48Å; I124-I127 WeakPolarHBondContact O-CB 3.33Å; I124-I127 PolarHBondContact O-N 3.34Å; I124-I127 VanDerWaalsContact O-N 3.13Å; I124-L128 HydrophobicContact CG2-CD1 4.06Å; I124-L128 HydrophobicContact CG2-CG 4.25Å; I124-L128 WeakPolarHBondContact O-CG 3.39Å; I124-L128 PolarHBondContact O-N 2.95Å
125F97.7Very high95.3Very high4 Ų424 Ų242%0.01813%0.129CC..Hα-helixtrans-63.9-39.5-178.3-69.7-1.6000112.8T121 E122 K123 I127 L128 V129 F150 L154 I157 V166 P167 G168 K169 F171 V172T121-F125 HydrophobicContact CG2-CD1 4.27Å; T121-F125 HydrophobicContact CG2-CD2 3.99Å; T121-F125 HydrophobicContact CG2-CE1 3.78Å; T121-F125 HydrophobicContact CG2-CE2 3.44Å; T121-F125 VanDerWaalsContact CG2-CE2 3.44Å; T121-F125 HydrophobicContact CG2-CG 4.38Å; T121-F125 HydrophobicContact CG2-CZ 3.35Å; T121-F125 WeakPolarHBondContact O-CD1 3.42Å; T121-F125 WeakPolarHBondContact O-CG 3.4Å; T121-F125 PolarHBondContact O-N 3.46Å; E122-F125 PolarHBondContact O-N 2.89Å; K123-F125 VanDerWaalsContact C-N 3.32Å; K123-F125 PolarHBondContact O-N 2.98Å; F125-I127 VanDerWaalsContact C-N 3.34Å; F125-I127 PolarHBondContact O-N 3.4Å; F125-L128 HydrophobicContact CD1-CD1 4.16Å; F125-L128 PolarHBondContact O-N 3.17Å; F125-V129 PolarHBondContact O-N 2.88Å; F125-F150 AromaticContact CD1-CE2 3.86Å; F125-F150 HydrophobicContact CD1-CE2 3.86Å; F125-F150 HydrophobicContact CD1-CZ 4.46Å; F125-F150 AromaticContact CE1-CE2 3.47Å; F125-F150 HydrophobicContact CE1-CE2 3.47Å; F125-F150 VanDerWaalsContact CE1-CE2 3.47Å; F125-F150 AromaticContact CE1-CZ 3.92Å; F125-F150 HydrophobicContact CE1-CZ 3.92Å; F125-F150 HydrophobicContact CE2-CZ 4.49Å; F125-F150 AromaticContact CZ-CE2 3.96Å; F125-F150 HydrophobicContact CZ-CE2 3.96Å; F125-F150 AromaticContact CZ-CZ 3.92Å; F125-F150 HydrophobicContact CZ-CZ 3.92Å; F125-L154 HydrophobicContact CE1-CD2 4.34Å; F125-L154 HydrophobicContact CZ-CD2 3.81Å; F125-I157 HydrophobicContact CE1-CD1 3.96Å; F125-I157 HydrophobicContact CZ-CD1 4.49Å; F125-V166 HydrophobicContact CE2-CG1 4.23Å; F125-V166 HydrophobicContact CZ-CG1 3.69Å; F125-P167 WeakPolarHBondContact CE2-O 3.26Å; F125-G168 WeakPolarHBondContact CD2-O 3.35Å; F125-G168 VanDerWaalsContact CE2-C 3.47Å; F125-K169 VanDerWaalsContact CE2-CA 3.47Å; F125-K169 HydrophobicContact CE2-CB 4.17Å; F125-K169 HydrophobicContact CZ-CB 4.28Å; F125-F171 HydrophobicContact CB-CD1 4.16Å; F125-V172 HydrophobicContact CB-CG2 3.59Å; F125-V172 HydrophobicContact CD1-CG2 3.91Å; F125-V172 HydrophobicContact CD2-CG2 4.2Å; F125-V172 HydrophobicContact CG-CG2 3.64Å
126N95.9Very high95.5Very high59 Ų5932.4 Ų32.432%0.31617%0.165SC..Hα-helixtrans-60.9-43172.3-76.5-54.6000112E122 K123 I124 V129 E130E122-N126 PolarHBondContact O-N 3.31Å; E122-N126 PolarHBondContact O-ND2 3.08Å; K123-N126 PolarHBondContact O-N 3.33Å; I124-N126 PolarHBondContact O-N 3.48Å; N126-V129 PolarHBondContact O-N 3.37Å; N126-E130 VanDerWaalsContact O-CB 3.26Å; N126-E130 WeakPolarHBondContact O-CB 3.45Å; N126-E130 PolarHBondContact O-N 3.43Å
127I96.2Very high95.4Very high22 Ų2239.2 Ų39.211%0.11319%0.194CC..Hα-helixtrans-65.3-39.9178.1-69.5172.4000111.5C60 I63 A64 K123 I124 F125 G131C60-I127 HydrophobicContact CB-CD1 3.35Å; I63-I127 HydrophobicContact CB-CG2 3.9Å; I63-I127 HydrophobicContact CG2-CG2 3.69Å; A64-I127 HydrophobicContact CB-CG2 4.14Å; K123-I127 HydrophobicContact CG-CD1 4.04Å; K123-I127 WeakPolarHBondContact O-CG1 3.5Å; K123-I127 PolarHBondContact O-N 3.19Å; K123-I127 VanDerWaalsContact O-N 3.12Å; I124-I127 WeakPolarHBondContact O-CB 3.33Å; I124-I127 PolarHBondContact O-N 3.34Å; I124-I127 VanDerWaalsContact O-N 3.13Å; F125-I127 VanDerWaalsContact C-N 3.34Å; F125-I127 PolarHBondContact O-N 3.4Å; I127-G131 PolarHBondContact O-N 3Å
128L97.9Very high95.4Very high2 Ų239.7 Ų39.71%0.0120%0.198CC..Hα-helixtrans-61.6-50.4175.8-68.8171.9000111I67 Y84 I124 F125 E130 G131 F132 F150 L153 V172I67-L128 HydrophobicContact CD1-CD2 3.84Å; Y84-L128 HydrophobicContact CE2-CD2 3.69Å; I124-L128 HydrophobicContact CG2-CD1 4.06Å; I124-L128 HydrophobicContact CG2-CG 4.25Å; I124-L128 WeakPolarHBondContact O-CG 3.39Å; I124-L128 PolarHBondContact O-N 2.95Å; F125-L128 HydrophobicContact CD1-CD1 4.16Å; F125-L128 PolarHBondContact O-N 3.17Å; L128-E130 PolarHBondContact O-N 2.9Å; L128-G131 PolarHBondContact O-N 3.49Å; L128-F132 HydrophobicContact CB-CD2 4.43Å; L128-F132 HydrophobicContact CB-CE2 4.06Å; L128-F132 HydrophobicContact CD2-CZ 4.45Å; L128-F132 WeakPolarHBondContact O-CB 3.26Å; L128-F132 VanDerWaalsContact O-CD2 3.22Å; L128-F132 WeakPolarHBondContact O-CD2 3.22Å; L128-F132 WeakPolarHBondContact O-CG 3.38Å; L128-F132 PolarHBondContact O-N 3.46Å; L128-F150 HydrophobicContact CD1-CD2 3.79Å; L128-F150 HydrophobicContact CD1-CE2 4Å; L128-L153 HydrophobicContact CD1-CD1 3.82Å; L128-L153 HydrophobicContact CD2-CD1 3.84Å; L128-L153 HydrophobicContact CG-CD1 4.41Å; L128-V172 HydrophobicContact CB-CG1 4.39Å; L128-V172 HydrophobicContact CD1-CG1 4.4Å; L128-V172 HydrophobicContact CD1-CG2 4.37Å
129V98.2Very high95.4Very high0 Ų037.2 Ų37.20%019%0.188CC..Hα-helixtrans-66.5-37.5179.9175.30000111.6F125 N126 A133 F171 V172 F175 Y197 Q201F125-V129 PolarHBondContact O-N 2.88Å; N126-V129 PolarHBondContact O-N 3.37Å; V129-A133 WeakPolarHBondContact O-CB 3.48Å; V129-A133 PolarHBondContact O-N 3.13Å; V129-F171 HydrophobicContact CB-CE1 3.77Å; V129-F171 HydrophobicContact CB-CZ 4.17Å; V129-F171 HydrophobicContact CG1-CE1 4.25Å; V129-F171 HydrophobicContact CG1-CZ 4.15Å; V129-F171 HydrophobicContact CG2-CD1 3.76Å; V129-F171 HydrophobicContact CG2-CE1 3.42Å; V129-F171 VanDerWaalsContact CG2-CE1 3.42Å; V129-F171 HydrophobicContact CG2-CZ 4.08Å; V129-V172 HydrophobicContact CG2-CB 4.43Å; V129-V172 HydrophobicContact CG2-CG1 4.45Å; V129-V172 HydrophobicContact CG2-CG2 4.13Å; V129-F175 HydrophobicContact CG1-CB 4.41Å; V129-F175 HydrophobicContact CG1-CD1 4.12Å; V129-F175 HydrophobicContact CG1-CD2 3.61Å; V129-F175 HydrophobicContact CG1-CE1 4.31Å; V129-F175 HydrophobicContact CG1-CE2 3.83Å; V129-F175 HydrophobicContact CG1-CG 3.76Å; V129-F175 HydrophobicContact CG1-CZ 4.18Å; V129-F175 HydrophobicContact CG2-CB 4.08Å; V129-F175 HydrophobicContact CG2-CG 4.21Å; V129-Y197 HydrophobicContact CG1-CD1 4.05Å; V129-Y197 HydrophobicContact CG1-CE1 4.19Å; V129-Q201 HydrophobicContact CG1-CG 4.15Å
130E97.2Very high95.5Very high118 Ų11838.5 Ų38.555%0.55120%0.2SC*.Hα-helixtrans-60.3-46.5171.8-177.5174.9-169.600111.7A64 N126 L128 A133 G134A64-E130 HydrophobicContact CB-CB 4.43Å; A64-E130 HydrophobicContact CB-CG 4.16Å; N126-E130 VanDerWaalsContact O-CB 3.26Å; N126-E130 WeakPolarHBondContact O-CB 3.45Å; N126-E130 PolarHBondContact O-N 3.43Å; L128-E130 PolarHBondContact O-N 2.9Å; E130-A133 PolarHBondContact O-N 3.37Å; E130-G134 PolarHBondContact O-N 3.07Å; E130-G134 VanDerWaalsContact O-N 3.14Å
131G97.5Very high95.6Very high0 Ų041.6 Ų41.60%021%0.214CC..Hα-helixtrans-62.7-48.2176.200000112.9A64 I127 L128 A133 G134A64-G131 WeakPolarHBondContact O-CA 3.3Å; I127-G131 PolarHBondContact O-N 3Å; L128-G131 PolarHBondContact O-N 3.49Å; G131-A133 VanDerWaalsContact C-N 3.31Å; G131-A133 PolarHBondContact O-N 3.1Å; G131-G134 WeakPolarHBondContact O-CA 3.42Å; G131-G134 PolarHBondContact O-N 3.24Å
132F98Very high95.7Very high2 Ų241.5 Ų41.51%0.00921%0.214CC..Hα-helixtrans-63.3-36.8177.5-64.2-33.4000112.1I67 W72 L128 G134 V135 M146 V172 F175 I176I67-F132 HydrophobicContact CG2-CD1 3.45Å; I67-F132 VanDerWaalsContact CG2-CD1 3.45Å; I67-F132 HydrophobicContact CG2-CE1 3.71Å; I67-F132 HydrophobicContact CG2-CG 4.38Å; W72-F132 AromaticContact CH2-CE1 3.87Å; W72-F132 HydrophobicContact CH2-CE1 3.87Å; W72-F132 HydrophobicContact CZ2-CD1 4.32Å; W72-F132 AromaticContact CZ2-CE1 4Å; W72-F132 HydrophobicContact CZ2-CE1 4Å; L128-F132 HydrophobicContact CB-CD2 4.43Å; L128-F132 HydrophobicContact CB-CE2 4.06Å; L128-F132 HydrophobicContact CD2-CZ 4.45Å; L128-F132 WeakPolarHBondContact O-CB 3.26Å; L128-F132 VanDerWaalsContact O-CD2 3.22Å; L128-F132 WeakPolarHBondContact O-CD2 3.22Å; L128-F132 WeakPolarHBondContact O-CG 3.38Å; L128-F132 PolarHBondContact O-N 3.46Å; F132-G134 PolarHBondContact O-N 3.34Å; F132-V135 VanDerWaalsContact O-CB 3.3Å; F132-V135 WeakPolarHBondContact O-CB 3.36Å; F132-V135 WeakPolarHBondContact O-CG2 3.44Å; F132-V135 PolarHBondContact O-N 2.69Å; F132-V135 VanDerWaalsContact O-N 3.16Å; F132-M146 HydrophobicContact CD1-CE 4.14Å; F132-M146 HydrophobicContact CD1-CG 4Å; F132-M146 HydrophobicContact CD1-SD 3.98Å; F132-M146 HydrophobicContact CE1-CB 4.09Å; F132-M146 HydrophobicContact CE1-CG 3.72Å; F132-M146 HydrophobicContact CE1-SD 4.3Å; F132-M146 HydrophobicContact CG-SD 4.3Å; F132-M146 HydrophobicContact CZ-CB 4.04Å; F132-M146 HydrophobicContact CZ-CG 4.19Å; F132-V172 HydrophobicContact CD2-CG1 4.44Å; F132-V172 HydrophobicContact CE2-CG1 3.95Å; F132-F175 HydrophobicContact CB-CD1 4.06Å; F132-F175 HydrophobicContact CB-CE1 3.75Å; F132-I176 HydrophobicContact CD2-CG1 4.35Å; F132-I176 HydrophobicContact CE2-CD1 3.98Å; F132-I176 HydrophobicContact CE2-CG1 4.22Å
133A97Very high95.7Very high18 Ų1838.7 Ų38.715%0.14920%0.2CC..Hα-helixtrans-66.9-21.5172.800000113.1V129 E130 G131 V135 F175 Q201 S204V129-A133 WeakPolarHBondContact O-CB 3.48Å; V129-A133 PolarHBondContact O-N 3.13Å; E130-A133 PolarHBondContact O-N 3.37Å; G131-A133 VanDerWaalsContact C-N 3.31Å; G131-A133 PolarHBondContact O-N 3.1Å; A133-V135 VanDerWaalsContact C-N 3.29Å; A133-F175 HydrophobicContact CB-CE1 4.47Å; A133-F175 HydrophobicContact CB-CZ 3.87Å; A133-Q201 HydrophobicContact CB-CB 4.17Å; A133-Q201 HydrophobicContact CB-CG 3.68Å; A133-S204 WeakPolarHBondContact CA-OG 3.36Å; A133-S204 WeakPolarHBondContact O-CB 3.43Å; A133-S204 PolarHBondContact O-OG 3.18Å
134G96.2Very high95.9Very high37 Ų3738.4 Ų38.438%0.38121%0.205SC..THydrogen-bonded Turntrans-76.5-13.9173.100000114.3E130 G131 F132E130-G134 PolarHBondContact O-N 3.07Å; E130-G134 VanDerWaalsContact O-N 3.14Å; G131-G134 WeakPolarHBondContact O-CA 3.42Å; G131-G134 PolarHBondContact O-N 3.24Å; F132-G134 PolarHBondContact O-N 3.34Å
135V95.7Very high96Very high4 Ų439 Ų392%0.02421%0.208CC..  trans-70.3130.5-178.6178.40000110.2W72 F132 A133 K137 M146 T208W72-V135 HydrophobicContact CB-CG1 3.88Å; W72-V135 VanDerWaalsContact CD1-CG1 3.44Å; W72-V135 HydrophobicContact CG-CG1 3.79Å; W72-V135 HydrophobicContact CG-CG2 4.1Å; W72-V135 VanDerWaalsContact NE1-CG2 3.3Å; F132-V135 VanDerWaalsContact O-CB 3.3Å; F132-V135 WeakPolarHBondContact O-CB 3.36Å; F132-V135 WeakPolarHBondContact O-CG2 3.44Å; F132-V135 PolarHBondContact O-N 2.69Å; F132-V135 VanDerWaalsContact O-N 3.16Å; A133-V135 VanDerWaalsContact C-N 3.29Å; V135-K137 WeakPolarHBondContact CG1-O 3.5Å; V135-M146 HydrophobicContact CG1-CE 4.32Å; V135-M146 HydrophobicContact CG2-CE 4.16Å; V135-T208 WeakPolarHBondContact O-CG2 3.47Å
136K91.5Very high96Very high189 Ų18938.9 Ų38.982%0.82221%0.207SC*.SBendtrans-89.1-28.6-177.5-65.2-178.7-177.6174.20114.1
137K91.9Very high96.1Very high151 Ų15138.4 Ų38.466%0.65720%0.203SC*.  trans-148.8138-179.4-68.2-174178.6-1780108.3V135V135-K137 WeakPolarHBondContact CG1-O 3.5Å
138S93.5Very high96.2Very high10 Ų1040.2 Ų40.27%0.0721%0.213CC..  trans-138.7132.4172.260.40000110.1W72 R143W72-S138 CarbonylContact O-C 3.56Å; W72-S138 VanDerWaalsContact O-CA 3.32Å; W72-S138 WeakPolarHBondContact O-CA 3.48Å; S138-R143 PolarHBondContact O-NH1 3.04Å; S138-R143 PolarHBondContact OG-NH1 3.37Å
139S94.7Very high96.2Very high14 Ų1440.1 Ų40.110%0.09821%0.212CC..  trans-79.9176170.269.90000110.7W72 L74 E141 G142 R143W72-S139 PolarHBondContact O-N 3.37Å; W72-S139 PolarHBondContact O-OG 3.16Å; L74-S139 PolarHBondContact N-OG 2.88Å; L74-S139 WeakPolarHBondContact O-CB 3.15Å; L74-S139 PolarHBondContact O-OG 3.49Å; S139-E141 VanDerWaalsContact C-N 3.26Å; S139-E141 WeakPolarHBondContact CB-OE2 3.49Å; S139-E141 PolarHBondContact OG-N 3Å; S139-E141 PolarHBondContact OG-OE2 3.47Å; S139-G142 PolarHBondContact O-N 3.1Å; S139-G142 PolarHBondContact OG-N 2.86Å; S139-R143 WeakPolarHBondContact O-CG 3.26Å; S139-R143 VanDerWaalsContact O-CZ 3.22Å; S139-R143 PolarHBondContact O-N 2.94Å; S139-R143 PolarHBondContact O-NH1 3.08Å
140A93.8Very high96.2Very high45 Ų4540.1 Ų40.137%0.37221%0.213SC..Hα-helixtrans-65-38.4174.400000110.8R143 A144A140-R143 VanDerWaalsContact CA-NH2 3.28Å; A140-R143 PolarHBondContact O-N 3.32Å; A140-A144 PolarHBondContact O-N 3.5Å
141E95.9Very high96.3Very high65 Ų6538.4 Ų38.430%0.30421%0.205SC..Hα-helixtrans-65.4-43.8176.7-6368.8-152.500110.6L74 S139 R143 A144 L145L74-E141 HydrophobicContact CB-CB 3.96Å; S139-E141 VanDerWaalsContact C-N 3.26Å; S139-E141 WeakPolarHBondContact CB-OE2 3.49Å; S139-E141 PolarHBondContact OG-N 3Å; S139-E141 PolarHBondContact OG-OE2 3.47Å; E141-R143 PolarHBondContact O-N 3.45Å; E141-A144 WeakPolarHBondContact O-CB 3.29Å; E141-A144 PolarHBondContact O-N 3.14Å; E141-L145 PolarHBondContact O-N 3.4Å
142G96.7Very high96.3Very high0 Ų041.1 Ų41.10%022%0.217CC..Hα-helixtrans-61.9-40.9173.400000113W72 S139 A144 L145 M146W72-G142 WeakPolarHBondContact O-CA 3.33Å; S139-G142 PolarHBondContact O-N 3.1Å; S139-G142 PolarHBondContact OG-N 2.86Å; G142-A144 VanDerWaalsContact C-N 3.34Å; G142-L145 WeakPolarHBondContact O-CB 3.38Å; G142-L145 PolarHBondContact O-N 2.99Å; G142-M146 WeakPolarHBondContact O-CG 3.47Å; G142-M146 PolarHBondContact O-N 2.97Å
143R95.7Very high96.3Very high29 Ų2941 Ų4111%0.10922%0.217CC..Hα-helixtrans-67.5-34.6173.8-70.4-175.9-67.4-83.6-0.1112.7S138 S139 A140 E141 L145 M146 Q147 Y179 Y180S138-R143 PolarHBondContact O-NH1 3.04Å; S138-R143 PolarHBondContact OG-NH1 3.37Å; S139-R143 WeakPolarHBondContact O-CG 3.26Å; S139-R143 VanDerWaalsContact O-CZ 3.22Å; S139-R143 PolarHBondContact O-N 2.94Å; S139-R143 PolarHBondContact O-NH1 3.08Å; A140-R143 VanDerWaalsContact CA-NH2 3.28Å; A140-R143 PolarHBondContact O-N 3.32Å; E141-R143 PolarHBondContact O-N 3.45Å; R143-L145 VanDerWaalsContact C-N 3.3Å; R143-M146 WeakPolarHBondContact O-CB 3.41Å; R143-M146 PolarHBondContact O-N 3.05Å; R143-Q147 PolarHBondContact O-N 3.35Å; R143-Q147 VanDerWaalsContact O-N 3.09Å; R143-Y179 VanDerWaalsContact CD-CG 3.43Å; R143-Y179 HydrophobicContact CG-CD2 4.34Å; R143-Y180 VanDerWaalsContact CB-OH 3.31Å; R143-Y180 WeakPolarHBondContact CB-OH 3.26Å
144A97Very high96.3Very high35 Ų3540.8 Ų40.829%0.28921%0.213SC..Hα-helixtrans-64-38.5171.900000111.1L77 A140 E141 G142 Q147 L148L77-A144 HydrophobicContact CD1-CB 3.65Å; A140-A144 PolarHBondContact O-N 3.5Å; E141-A144 WeakPolarHBondContact O-CB 3.29Å; E141-A144 PolarHBondContact O-N 3.14Å; G142-A144 VanDerWaalsContact C-N 3.34Å; A144-Q147 WeakPolarHBondContact O-CB 3.38Å; A144-Q147 PolarHBondContact O-N 2.86Å; A144-L148 PolarHBondContact O-N 3.26Å
145L97.8Very high96.4Very high14 Ų1445.2 Ų45.27%0.07323%0.225CC..Hα-helixtrans-63.2-43.5172178.960.1000112.1W72 L74 M78 Q80 E141 G142 R143 Q147 L148 D149W72-L145 HydrophobicContact CE3-CD2 4.48Å; W72-L145 HydrophobicContact CZ3-CB 4.22Å; W72-L145 HydrophobicContact CZ3-CD2 4.07Å; W72-L145 HydrophobicContact CZ3-CG 3.95Å; L74-L145 HydrophobicContact CD1-CB 4.29Å; L74-L145 HydrophobicContact CD1-CD2 3.7Å; M78-L145 HydrophobicContact CB-CD1 4.01Å; M78-L145 HydrophobicContact CG-CD2 4.24Å; Q80-L145 VanDerWaalsContact O-CD1 3.29Å; Q80-L145 WeakPolarHBondContact O-CD1 3.44Å; E141-L145 PolarHBondContact O-N 3.4Å; G142-L145 WeakPolarHBondContact O-CB 3.38Å; G142-L145 PolarHBondContact O-N 2.99Å; R143-L145 VanDerWaalsContact C-N 3.3Å; L145-Q147 PolarHBondContact O-N 3.12Å; L145-L148 HydrophobicContact CD1-CD2 4.27Å; L145-L148 WeakPolarHBondContact O-CB 3.49Å; L145-L148 PolarHBondContact O-N 3.07Å; L145-L148 VanDerWaalsContact O-N 3.1Å; L145-D149 WeakPolarHBondContact CD1-OD1 3.49Å; L145-D149 WeakPolarHBondContact O-CB 3.42Å; L145-D149 VanDerWaalsContact O-CG 3.25Å; L145-D149 PolarHBondContact O-N 3.26Å
146M98Very high96.5Very high2 Ų245.8 Ų45.81%0.0123%0.228CC..Hα-helixtrans-55.6-41173.4-64.6176.3-178.500111.4W72 F132 V135 G142 R143 F150 I176W72-M146 HydrophobicContact CB-CE 4.24Å; W72-M146 HydrophobicContact CD2-CE 3.48Å; W72-M146 VanDerWaalsContact CD2-CE 3.48Å; W72-M146 HydrophobicContact CD2-CG 4.28Å; W72-M146 HydrophobicContact CE3-CE 3.6Å; W72-M146 HydrophobicContact CE3-CG 3.52Å; W72-M146 HydrophobicContact CE3-SD 4.44Å; W72-M146 HydrophobicContact CG-CE 3.79Å; W72-M146 HydrophobicContact CH2-CG 3.78Å; W72-M146 HydrophobicContact CZ2-CG 4.5Å; W72-M146 HydrophobicContact CZ3-CB 4.15Å; W72-M146 HydrophobicContact CZ3-CE 4.2Å; W72-M146 HydrophobicContact CZ3-CG 3.23Å; F132-M146 HydrophobicContact CD1-CE 4.14Å; F132-M146 HydrophobicContact CD1-CG 4Å; F132-M146 HydrophobicContact CD1-SD 3.98Å; F132-M146 HydrophobicContact CE1-CB 4.09Å; F132-M146 HydrophobicContact CE1-CG 3.72Å; F132-M146 HydrophobicContact CE1-SD 4.3Å; F132-M146 HydrophobicContact CG-SD 4.3Å; F132-M146 HydrophobicContact CZ-CB 4.04Å; F132-M146 HydrophobicContact CZ-CG 4.19Å; V135-M146 HydrophobicContact CG1-CE 4.32Å; V135-M146 HydrophobicContact CG2-CE 4.16Å; G142-M146 WeakPolarHBondContact O-CG 3.47Å; G142-M146 PolarHBondContact O-N 2.97Å; R143-M146 WeakPolarHBondContact O-CB 3.41Å; R143-M146 PolarHBondContact O-N 3.05Å; M146-F150 WeakPolarHBondContact O-CB 3.45Å; M146-F150 PolarHBondContact O-N 3.2Å; M146-F150 VanDerWaalsContact O-N 3.08Å; M146-I176 HydrophobicContact CB-CD1 4.08Å; M146-I176 HydrophobicContact CB-CG1 4.29Å; M146-I176 HydrophobicContact CB-CG2 4.42Å
147Q97.7Very high96.8Very high49 Ų4936.8 Ų36.823%0.22919%0.189CC..Hα-helixtrans-67.9-42177.6-174.859.383.700111.8R143 A144 L145 F150 Q151 I176R143-Q147 PolarHBondContact O-N 3.35Å; R143-Q147 VanDerWaalsContact O-N 3.09Å; A144-Q147 WeakPolarHBondContact O-CB 3.38Å; A144-Q147 PolarHBondContact O-N 2.86Å; L145-Q147 PolarHBondContact O-N 3.12Å; Q147-F150 PolarHBondContact O-N 3.25Å; Q147-Q151 WeakPolarHBondContact O-CG 3.44Å; Q147-Q151 PolarHBondContact O-N 2.86Å; Q147-I176 HydrophobicContact CB-CG2 4.46Å
148L98Very high97.1Very high60 Ų6031 Ų3131%0.31417%0.169SC..Hα-helixtrans-61.6-49.8176.3178.162.9000111.4Q80 A144 L145 F150 Q151 H152Q80-L148 WeakPolarHBondContact O-CD2 3.35Å; A144-L148 PolarHBondContact O-N 3.26Å; L145-L148 HydrophobicContact CD1-CD2 4.27Å; L145-L148 WeakPolarHBondContact O-CB 3.49Å; L145-L148 PolarHBondContact O-N 3.07Å; L145-L148 VanDerWaalsContact O-N 3.1Å; L148-F150 VanDerWaalsContact C-N 3.26Å; L148-F150 PolarHBondContact O-N 3.37Å; L148-Q151 PolarHBondContact O-N 2.81Å; L148-H152 PolarHBondContact O-N 2.71Å
149D98.3Very high97.3Very high0 Ų038.7 Ų38.70%020%0.197CC..Hα-helixtrans-52.7-48.5175.5-72.6-8.9000110.9H81 S82 Y84 V85 L145 H152 L153H81-D149 WeakPolarHBondContact CA-OD1 3.49Å; H81-D149 WeakPolarHBondContact CB-OD1 3.49Å; S82-D149 VanDerWaalsContact CB-OD2 3.25Å; S82-D149 WeakPolarHBondContact CB-OD2 3.41Å; S82-D149 PolarHBondContact N-OD1 2.88Å; S82-D149 PolarHBondContact OG-OD1 3.25Å; S82-D149 PolarHBondContact OG-OD2 3.35Å; Y84-D149 WeakPolarHBondContact CE1-OD2 3.48Å; Y84-D149 WeakPolarHBondContact OH-CB 3.18Å; Y84-D149 PolarHBondContact OH-OD2 3.37Å; V85-D149 HydrophobicContact CG2-CB 3.64Å; L145-D149 WeakPolarHBondContact CD1-OD1 3.49Å; L145-D149 WeakPolarHBondContact O-CB 3.42Å; L145-D149 VanDerWaalsContact O-CG 3.25Å; L145-D149 PolarHBondContact O-N 3.26Å; D149-H152 PolarHBondContact O-N 2.74Å; D149-L153 WeakPolarHBondContact O-CG 3.28Å; D149-L153 PolarHBondContact O-N 3.28Å
150F98.4Very high97.4Very high1 Ų139.2 Ų39.20%0.00420%0.198CC..Hα-helixtrans-65.5-41.4-178.9-171.2-121.2000112.3F125 L128 M146 Q147 L148 H152 L153 L154 K169 V172 E173 I176F125-F150 AromaticContact CD1-CE2 3.86Å; F125-F150 HydrophobicContact CD1-CE2 3.86Å; F125-F150 HydrophobicContact CD1-CZ 4.46Å; F125-F150 AromaticContact CE1-CE2 3.47Å; F125-F150 HydrophobicContact CE1-CE2 3.47Å; F125-F150 VanDerWaalsContact CE1-CE2 3.47Å; F125-F150 AromaticContact CE1-CZ 3.92Å; F125-F150 HydrophobicContact CE1-CZ 3.92Å; F125-F150 HydrophobicContact CE2-CZ 4.49Å; F125-F150 AromaticContact CZ-CE2 3.96Å; F125-F150 HydrophobicContact CZ-CE2 3.96Å; F125-F150 AromaticContact CZ-CZ 3.92Å; F125-F150 HydrophobicContact CZ-CZ 3.92Å; L128-F150 HydrophobicContact CD1-CD2 3.79Å; L128-F150 HydrophobicContact CD1-CE2 4Å; M146-F150 WeakPolarHBondContact O-CB 3.45Å; M146-F150 PolarHBondContact O-N 3.2Å; M146-F150 VanDerWaalsContact O-N 3.08Å; Q147-F150 PolarHBondContact O-N 3.25Å; L148-F150 VanDerWaalsContact C-N 3.26Å; L148-F150 PolarHBondContact O-N 3.37Å; F150-H152 VanDerWaalsContact C-N 3.32Å; F150-H152 PolarHBondContact O-N 3.09Å; F150-L153 PolarHBondContact O-N 3.05Å; F150-L154 HydrophobicContact CD1-CD1 3.88Å; F150-L154 HydrophobicContact CD1-CG 4.2Å; F150-L154 HydrophobicContact CE1-CD1 3.53Å; F150-L154 HydrophobicContact CE1-CD2 4.06Å; F150-L154 HydrophobicContact CE1-CG 3.85Å; F150-L154 HydrophobicContact CE2-CD2 4.09Å; F150-L154 HydrophobicContact CE2-CG 4.19Å; F150-L154 HydrophobicContact CZ-CD1 4.01Å; F150-L154 HydrophobicContact CZ-CD2 3.63Å; F150-L154 HydrophobicContact CZ-CG 3.84Å; F150-L154 VanDerWaalsContact O-CG 3.29Å; F150-L154 WeakPolarHBondContact O-CG 3.25Å; F150-L154 PolarHBondContact O-N 2.76Å; F150-K169 HydrophobicContact CE1-CB 4.16Å; F150-K169 HydrophobicContact CZ-CB 3.93Å; F150-V172 HydrophobicContact CD1-CB 4.37Å; F150-V172 HydrophobicContact CD1-CG1 4.29Å; F150-V172 HydrophobicContact CD2-CB 4.04Å; F150-V172 HydrophobicContact CD2-CG1 3.7Å; F150-V172 HydrophobicContact CD2-CG2 4.39Å; F150-V172 HydrophobicContact CE1-CB 3.94Å; F150-V172 HydrophobicContact CE1-CG1 4.35Å; F150-V172 HydrophobicContact CE2-CB 3.58Å; F150-V172 HydrophobicContact CE2-CG1 3.78Å; F150-V172 HydrophobicContact CE2-CG2 3.66Å; F150-V172 HydrophobicContact CG-CB 4.42Å; F150-V172 HydrophobicContact CG-CG1 3.97Å; F150-V172 HydrophobicContact CZ-CB 3.53Å; F150-V172 HydrophobicContact CZ-CG1 4.11Å; F150-V172 HydrophobicContact CZ-CG2 3.87Å; F150-E173 HydrophobicContact CD1-CG 4.16Å; F150-E173 HydrophobicContact CE1-CG 3.66Å; F150-I176 HydrophobicContact CB-CD1 4.23Å
151Q98Very high97.5Very high82 Ų8237.6 Ų37.638%0.38318%0.184SC..Hα-helixtrans-61.7-41.1175.3-69.5-53-40.600111.7Q147 L148 L153 L154 M155Q147-Q151 WeakPolarHBondContact O-CG 3.44Å; Q147-Q151 PolarHBondContact O-N 2.86Å; L148-Q151 PolarHBondContact O-N 2.81Å; Q151-L153 VanDerWaalsContact C-N 3.34Å; Q151-L153 PolarHBondContact O-N 3.39Å; Q151-L154 PolarHBondContact O-N 2.94Å; Q151-M155 WeakPolarHBondContact O-CG 3.2Å; Q151-M155 PolarHBondContact O-N 3.24Å
152H97.7Very high97.5Very high57 Ų5737.6 Ų37.626%0.26420%0.202SC..Hα-helixtrans-64.4-39.7178.3-159.380.5000112.1H81 V85 L148 D149 F150 N156H81-H152 HydrophobicContact CB-CB 4.36Å; H81-H152 AromaticContact CE1-CD2 3.61Å; H81-H152 AromaticContact CE1-CE1 3.74Å; H81-H152 AromaticContact CE1-NE2 3.46Å; H81-H152 PolarHBondContact CE1-NE2 2.77Å; H81-H152 AromaticContact ND1-CD2 3.57Å; H81-H152 AromaticContact ND1-CE1 3.74Å; H81-H152 AromaticContact ND1-CG 3.58Å; H81-H152 AromaticContact ND1-ND1 3.68Å; H81-H152 AromaticContact ND1-NE2 3.75Å; V85-H152 HydrophobicContact CG1-CB 4.26Å; L148-H152 PolarHBondContact O-N 2.71Å; D149-H152 PolarHBondContact O-N 2.74Å; F150-H152 VanDerWaalsContact C-N 3.32Å; F150-H152 PolarHBondContact O-N 3.09Å; H152-N156 PolarHBondContact NE2-ND2 3.2Å; H152-N156 PolarHBondContact O-N 2.83Å; H152-N156 PolarHBondContact O-ND2 3.31Å
153L98Very high97.5Very high0 Ų039 Ų390%021%0.208CC..Hα-helixtrans-63.8-45.6172-72.2174.7000112.1V85 V88 I89 L128 D149 F150 Q151 M155 N156 I157V85-L153 HydrophobicContact CB-CD2 4.46Å; V85-L153 HydrophobicContact CG1-CD2 3.8Å; V85-L153 HydrophobicContact CG1-CG 3.91Å; V85-L153 HydrophobicContact CG2-CD1 4.45Å; V85-L153 HydrophobicContact CG2-CG 4.35Å; V88-L153 HydrophobicContact CB-CD2 3.89Å; V88-L153 HydrophobicContact CG1-CD2 3.65Å; I89-L153 HydrophobicContact CG1-CD2 4.1Å; L128-L153 HydrophobicContact CD1-CD1 3.82Å; L128-L153 HydrophobicContact CD2-CD1 3.84Å; L128-L153 HydrophobicContact CG-CD1 4.41Å; D149-L153 WeakPolarHBondContact O-CG 3.28Å; D149-L153 PolarHBondContact O-N 3.28Å; F150-L153 PolarHBondContact O-N 3.05Å; Q151-L153 VanDerWaalsContact C-N 3.34Å; Q151-L153 PolarHBondContact O-N 3.39Å; L153-M155 VanDerWaalsContact C-N 3.34Å; L153-M155 PolarHBondContact O-N 2.98Å; L153-N156 PolarHBondContact O-N 3.23Å; L153-I157 WeakPolarHBondContact O-CB 3.21Å; L153-I157 VanDerWaalsContact O-CG1 3.27Å; L153-I157 WeakPolarHBondContact O-CG1 3.46Å; L153-I157 PolarHBondContact O-N 3.34Å
154L98.3Very high97.4Very high13 Ų1350 Ų507%0.06825%0.249CC..Hα-helixtrans-58.5-44.5178.5-73.9-179.6000112.1F125 F150 Q151 N156 I157 A158 V166 K169F125-L154 HydrophobicContact CE1-CD2 4.34Å; F125-L154 HydrophobicContact CZ-CD2 3.81Å; F150-L154 HydrophobicContact CD1-CD1 3.88Å; F150-L154 HydrophobicContact CD1-CG 4.2Å; F150-L154 HydrophobicContact CE1-CD1 3.53Å; F150-L154 HydrophobicContact CE1-CD2 4.06Å; F150-L154 HydrophobicContact CE1-CG 3.85Å; F150-L154 HydrophobicContact CE2-CD2 4.09Å; F150-L154 HydrophobicContact CE2-CG 4.19Å; F150-L154 HydrophobicContact CZ-CD1 4.01Å; F150-L154 HydrophobicContact CZ-CD2 3.63Å; F150-L154 HydrophobicContact CZ-CG 3.84Å; F150-L154 VanDerWaalsContact O-CG 3.29Å; F150-L154 WeakPolarHBondContact O-CG 3.25Å; F150-L154 PolarHBondContact O-N 2.76Å; Q151-L154 PolarHBondContact O-N 2.94Å; L154-N156 VanDerWaalsContact C-N 3.34Å; L154-N156 PolarHBondContact O-N 3.43Å; L154-I157 PolarHBondContact O-N 2.87Å; L154-A158 VanDerWaalsContact O-CB 3.32Å; L154-A158 WeakPolarHBondContact O-CB 3.31Å; L154-A158 PolarHBondContact O-N 3.47Å; L154-V166 HydrophobicContact CD2-CB 3.74Å; L154-V166 HydrophobicContact CD2-CG1 3.84Å; L154-V166 HydrophobicContact CD2-CG2 3.99Å; L154-K169 HydrophobicContact CD1-CB 4.37Å; L154-K169 HydrophobicContact CD1-CD 4.24Å; L154-K169 HydrophobicContact CD2-CB 3.75Å
155M97.8Very high97.3Very high129 Ų12951.8 Ų51.864%0.63526%0.264SS*.Hα-helixtrans-59.4-44.9177.1-72.9176.959.300111.7Q151 L153 R159Q151-M155 WeakPolarHBondContact O-CG 3.2Å; Q151-M155 PolarHBondContact O-N 3.24Å; L153-M155 VanDerWaalsContact C-N 3.34Å; L153-M155 PolarHBondContact O-N 2.98Å; M155-R159 WeakPolarHBondContact O-CB 3.49Å; M155-R159 PolarHBondContact O-N 3.24Å
156N97.9Very high97.3Very high17 Ų1751.6 Ų51.69%0.09126%0.264CS..Hα-helixtrans-70.1-40.4179.4-82.1-76.1000112.5I89 H152 L153 L154 R159 L160I89-N156 HydrophobicContact CD1-CB 4.21Å; I89-N156 WeakPolarHBondContact CD1-ND2 3.49Å; I89-N156 HydrophobicContact CG1-CB 4.03Å; H152-N156 PolarHBondContact NE2-ND2 3.2Å; H152-N156 PolarHBondContact O-N 2.83Å; H152-N156 PolarHBondContact O-ND2 3.31Å; L153-N156 PolarHBondContact O-N 3.23Å; L154-N156 VanDerWaalsContact C-N 3.34Å; L154-N156 PolarHBondContact O-N 3.43Å; N156-R159 PolarHBondContact O-N 3.1Å; N156-R159 PolarHBondContact OD1-NH2 2.9Å; N156-L160 WeakPolarHBondContact O-CB 3.41Å; N156-L160 VanDerWaalsContact O-CG 3.29Å; N156-L160 WeakPolarHBondContact O-CG 3.16Å; N156-L160 PolarHBondContact O-N 3.25Å
157I97.8Very high97.2Very high0 Ų053.8 Ų53.80%028%0.278CS..Hα-helixtrans-61.2-48.7174.7-68.7164.7000109.9L92 T121 F125 L153 L154 R159 L160 S161 F163 V166L92-I157 HydrophobicContact CD1-CD1 4.41Å; L92-I157 HydrophobicContact CD1-CG1 3.69Å; T121-I157 HydrophobicContact CG2-CD1 4.38Å; T121-I157 HydrophobicContact CG2-CG2 4.33Å; F125-I157 HydrophobicContact CE1-CD1 3.96Å; F125-I157 HydrophobicContact CZ-CD1 4.49Å; L153-I157 WeakPolarHBondContact O-CB 3.21Å; L153-I157 VanDerWaalsContact O-CG1 3.27Å; L153-I157 WeakPolarHBondContact O-CG1 3.46Å; L153-I157 PolarHBondContact O-N 3.34Å; L154-I157 PolarHBondContact O-N 2.87Å; I157-R159 VanDerWaalsContact C-N 3.33Å; I157-R159 PolarHBondContact O-N 2.9Å; I157-L160 PolarHBondContact O-N 2.83Å; I157-S161 VanDerWaalsContact O-CB 3.22Å; I157-S161 WeakPolarHBondContact O-CB 3.41Å; I157-S161 PolarHBondContact O-N 3.21Å; I157-S161 PolarHBondContact O-OG 3.47Å; I157-F163 HydrophobicContact CG2-CD2 4.48Å; I157-V166 HydrophobicContact CB-CG1 4.46Å; I157-V166 HydrophobicContact CB-CG2 4.34Å; I157-V166 HydrophobicContact CG2-CG1 3.71Å; I157-V166 HydrophobicContact CG2-CG2 4.05Å
158A97.9Very high97.1Very high29 Ų2953.2 Ų53.224%0.2429%0.285CS..Hα-helixtrans-58.1-45.6178.200000111.8L154 G162 F163 V166L154-A158 VanDerWaalsContact O-CB 3.32Å; L154-A158 WeakPolarHBondContact O-CB 3.31Å; L154-A158 PolarHBondContact O-N 3.47Å; A158-G162 WeakPolarHBondContact O-CA 3.45Å; A158-G162 PolarHBondContact O-N 3.28Å; A158-F163 PolarHBondContact O-N 3.16Å; A158-V166 HydrophobicContact CB-CG2 3.92Å
159R97.6Very high97.1Very high172 Ų17253.1 Ų53.165%0.64928%0.282SS*.Hα-helixtrans-62-46.5178.2-177.2176.665.5113.5-3.3112.9M155 N156 I157M155-R159 WeakPolarHBondContact O-CB 3.49Å; M155-R159 PolarHBondContact O-N 3.24Å; N156-R159 PolarHBondContact O-N 3.1Å; N156-R159 PolarHBondContact OD1-NH2 2.9Å; I157-R159 VanDerWaalsContact C-N 3.33Å; I157-R159 PolarHBondContact O-N 2.9Å
160L96.9Very high97.1Very high24 Ų2458.2 Ų58.213%0.12631%0.306CS..Hα-helixtrans-76.3-36.6-176.1-67.7170.7000112.7L92 V93 N96 W117 N156 I157L92-L160 HydrophobicContact CB-CD1 3.78Å; V93-L160 HydrophobicContact CG2-CD1 4.01Å; V93-L160 HydrophobicContact CG2-CD2 4.26Å; N96-L160 HydrophobicContact CB-CD2 4.35Å; W117-L160 HydrophobicContact CH2-CB 3.55Å; W117-L160 HydrophobicContact CH2-CD1 4.37Å; W117-L160 HydrophobicContact CZ2-CB 3.89Å; W117-L160 HydrophobicContact CZ3-CB 4.34Å; N156-L160 WeakPolarHBondContact O-CB 3.41Å; N156-L160 VanDerWaalsContact O-CG 3.29Å; N156-L160 WeakPolarHBondContact O-CG 3.16Å; N156-L160 PolarHBondContact O-N 3.25Å; I157-L160 PolarHBondContact O-N 2.83Å
161S95.8Very high97.1Very high11 Ų1160.1 Ų60.18%0.07732%0.315CS..Hα-helixtrans-87.1-20.7-177.564.80000114.5W117 I157 F163W117-S161 VanDerWaalsContact CD2-CB 3.47Å; I157-S161 VanDerWaalsContact O-CB 3.22Å; I157-S161 WeakPolarHBondContact O-CB 3.41Å; I157-S161 PolarHBondContact O-N 3.21Å; I157-S161 PolarHBondContact O-OG 3.47Å; S161-F163 VanDerWaalsContact C-N 3.31Å; S161-F163 WeakPolarHBondContact OG-CD2 3.21Å; S161-F163 VanDerWaalsContact OG-CG 3.23Å; S161-F163 WeakPolarHBondContact OG-CG 3.22Å; S161-F163 PolarHBondContact OG-N 2.89Å
162G95.6Very high97.1Very high65 Ų6556.2 Ų56.267%0.6730%0.296SS*.THydrogen-bonded Turntrans75.216-170.700000114A158A158-G162 WeakPolarHBondContact O-CA 3.45Å; A158-G162 PolarHBondContact O-N 3.28Å
163F96.6Very high97.1Very high29 Ų2954.6 Ų54.613%0.12729%0.289CS..  trans-69.9129.7174.2-66.3-30.2000111.7K114 W117 Q118 I157 A158 S161 A165 P167K114-F163 HydrophobicContact CG-CE1 3.99Å; W117-F163 HydrophobicContact CB-CE1 4.44Å; W117-F163 HydrophobicContact CB-CE2 3.83Å; W117-F163 HydrophobicContact CB-CZ 3.51Å; Q118-F163 HydrophobicContact CG-CZ 4.01Å; I157-F163 HydrophobicContact CG2-CD2 4.48Å; A158-F163 PolarHBondContact O-N 3.16Å; S161-F163 VanDerWaalsContact C-N 3.31Å; S161-F163 WeakPolarHBondContact OG-CD2 3.21Å; S161-F163 VanDerWaalsContact OG-CG 3.23Å; S161-F163 WeakPolarHBondContact OG-CG 3.22Å; S161-F163 PolarHBondContact OG-N 2.89Å; F163-A165 VanDerWaalsContact C-N 3.34Å; F163-P167 VanDerWaalsContact CD2-CD 3.4Å; F163-P167 HydrophobicContact CD2-CG 4.21Å; F163-P167 HydrophobicContact CE2-CG 3.92Å; F163-P167 HydrophobicContact CZ-CG 4.29Å
164R94.2Very high97.1Very high261 Ų26156.6 Ų56.699%0.98530%0.299SS*.SBendtrans-66.7-38.4168.2-175.2179.6179.8-174.60.6111.8
165A94.7Very high97.1Very high73 Ų7356 Ų5660%0.60330%0.296SS*.SBendtrans-138.2127.4173.300000108F163 P167F163-A165 VanDerWaalsContact C-N 3.34Å; A165-P167 WeakPolarHBondContact O-CD 3.45Å
166V97.8Very high97.1Very high10 Ų1050 Ų506%0.06127%0.267CS..  trans-70.6117.6-176.6-1770000109.2T121 F125 L154 I157 A158 K169T121-V166 HydrophobicContact CG2-CG1 3.66Å; F125-V166 HydrophobicContact CE2-CG1 4.23Å; F125-V166 HydrophobicContact CZ-CG1 3.69Å; L154-V166 HydrophobicContact CD2-CB 3.74Å; L154-V166 HydrophobicContact CD2-CG1 3.84Å; L154-V166 HydrophobicContact CD2-CG2 3.99Å; I157-V166 HydrophobicContact CB-CG1 4.46Å; I157-V166 HydrophobicContact CB-CG2 4.34Å; I157-V166 HydrophobicContact CG2-CG1 3.71Å; I157-V166 HydrophobicContact CG2-CG2 4.05Å; A158-V166 HydrophobicContact CB-CG2 3.92Å; V166-K169 WeakPolarHBondContact O-CG 3.47Å
167P96.4Very high97Very high47 Ų4753.9 Ų53.931%0.30528%0.283SS..THydrogen-bonded Turntrans-69.5140.3-175.427.8-33.1000111.5Q118 F125 F163 A165 K169Q118-P167 HydrophobicContact CG-CG 3.86Å; F125-P167 WeakPolarHBondContact CE2-O 3.26Å; F163-P167 VanDerWaalsContact CD2-CD 3.4Å; F163-P167 HydrophobicContact CD2-CG 4.21Å; F163-P167 HydrophobicContact CE2-CG 3.92Å; F163-P167 HydrophobicContact CZ-CG 4.29Å; A165-P167 WeakPolarHBondContact O-CD 3.45Å; P167-K169 VanDerWaalsContact C-N 3.28Å; P167-K169 PolarHBondContact O-N 3.23Å
168G96.3Very high96.9Very high38 Ų3853.9 Ų53.939%0.39228%0.283SS..THydrogen-bonded Turntrans79.36.8175.300000114.3F125 E170 F171F125-G168 WeakPolarHBondContact CD2-O 3.35Å; F125-G168 VanDerWaalsContact CE2-C 3.47Å; G168-E170 WeakPolarHBondContact CA-OE2 3.3Å; G168-E170 PolarHBondContact O-N 2.98Å; G168-E170 VanDerWaalsContact O-N 3.17Å; G168-F171 VanDerWaalsContact O-CB 3.24Å; G168-F171 WeakPolarHBondContact O-CB 3.18Å; G168-F171 PolarHBondContact O-N 2.85Å; G168-F171 VanDerWaalsContact O-N 3.07Å
169K97.8Very high96.7Very high58 Ų5853.2 Ų53.225%0.25227%0.274SS..Hα-helixtrans-59.9-27.8179.566.5176.8-167.7121.90112.2F125 F150 L154 V166 P167 F171 V172 E173F125-K169 VanDerWaalsContact CE2-CA 3.47Å; F125-K169 HydrophobicContact CE2-CB 4.17Å; F125-K169 HydrophobicContact CZ-CB 4.28Å; F150-K169 HydrophobicContact CE1-CB 4.16Å; F150-K169 HydrophobicContact CZ-CB 3.93Å; L154-K169 HydrophobicContact CD1-CB 4.37Å; L154-K169 HydrophobicContact CD1-CD 4.24Å; L154-K169 HydrophobicContact CD2-CB 3.75Å; V166-K169 WeakPolarHBondContact O-CG 3.47Å; P167-K169 VanDerWaalsContact C-N 3.28Å; P167-K169 PolarHBondContact O-N 3.23Å; K169-F171 PolarHBondContact O-N 2.9Å; K169-F171 VanDerWaalsContact O-N 3.16Å; K169-V172 PolarHBondContact O-N 2.71Å; K169-V172 VanDerWaalsContact O-N 3.09Å; K169-E173 IonicContact NZ-OE1 2.76Å; K169-E173 PolarHBondContact NZ-OE1 3.29Å; K169-E173 WeakPolarHBondContact O-CG 3.43Å; K169-E173 PolarHBondContact O-N 2.81Å
170E97.4Very high96.5Very high106 Ų10651.2 Ų51.250%0.49527%0.268SS..Hα-helixtrans-57.7-28.8178.1-60.173.7-158.200111.6G168 N174G168-E170 WeakPolarHBondContact CA-OE2 3.3Å; G168-E170 PolarHBondContact O-N 2.98Å; G168-E170 VanDerWaalsContact O-N 3.17Å; E170-N174 WeakPolarHBondContact O-CB 3.2Å; E170-N174 PolarHBondContact O-N 2.95Å
171F98.4Very high96.4Very high42 Ų4251.6 Ų51.618%0.18427%0.271CS..Hα-helixtrans-61.3-45.2176.1179.4-109.6000112.2F125 V129 G168 K169 F175 K196 Y197F125-F171 HydrophobicContact CB-CD1 4.16Å; V129-F171 HydrophobicContact CB-CE1 3.77Å; V129-F171 HydrophobicContact CB-CZ 4.17Å; V129-F171 HydrophobicContact CG1-CE1 4.25Å; V129-F171 HydrophobicContact CG1-CZ 4.15Å; V129-F171 HydrophobicContact CG2-CD1 3.76Å; V129-F171 HydrophobicContact CG2-CE1 3.42Å; V129-F171 VanDerWaalsContact CG2-CE1 3.42Å; V129-F171 HydrophobicContact CG2-CZ 4.08Å; G168-F171 VanDerWaalsContact O-CB 3.24Å; G168-F171 WeakPolarHBondContact O-CB 3.18Å; G168-F171 PolarHBondContact O-N 2.85Å; G168-F171 VanDerWaalsContact O-N 3.07Å; K169-F171 PolarHBondContact O-N 2.9Å; K169-F171 VanDerWaalsContact O-N 3.16Å; F171-F175 PolarHBondContact O-N 2.87Å; F171-K196 WeakPolarHBondContact CE2-O 3.44Å; F171-Y197 HydrophobicContact CD2-CD1 4.15Å; F171-Y197 AromaticContact CD2-CE1 3.57Å; F171-Y197 HydrophobicContact CD2-CE1 3.57Å; F171-Y197 AromaticContact CE2-CD1 3.38Å; F171-Y197 HydrophobicContact CE2-CD1 3.38Å; F171-Y197 AromaticContact CE2-CE1 3.26Å; F171-Y197 HydrophobicContact CE2-CE1 3.26Å; F171-Y197 HydrophobicContact CE2-CG 4.5Å; F171-Y197 HydrophobicContact CG-CE1 4.36Å; F171-Y197 AromaticContact CZ-CD1 3.82Å; F171-Y197 HydrophobicContact CZ-CD1 3.82Å; F171-Y197 AromaticContact CZ-CE1 3.84Å; F171-Y197 HydrophobicContact CZ-CE1 3.84Å; F171-Y197 PolarHBondContact O-OH 3.09Å
172V98.5Very high96.4Very high0 Ų055.1 Ų55.10%029%0.293CS..Hα-helixtrans-81-41.9178.8-171.10000110.6F125 L128 V129 F132 F150 K169 N174 F175 I176F125-V172 HydrophobicContact CB-CG2 3.59Å; F125-V172 HydrophobicContact CD1-CG2 3.91Å; F125-V172 HydrophobicContact CD2-CG2 4.2Å; F125-V172 HydrophobicContact CG-CG2 3.64Å; L128-V172 HydrophobicContact CB-CG1 4.39Å; L128-V172 HydrophobicContact CD1-CG1 4.4Å; L128-V172 HydrophobicContact CD1-CG2 4.37Å; V129-V172 HydrophobicContact CG2-CB 4.43Å; V129-V172 HydrophobicContact CG2-CG1 4.45Å; V129-V172 HydrophobicContact CG2-CG2 4.13Å; F132-V172 HydrophobicContact CD2-CG1 4.44Å; F132-V172 HydrophobicContact CE2-CG1 3.95Å; F150-V172 HydrophobicContact CD1-CB 4.37Å; F150-V172 HydrophobicContact CD1-CG1 4.29Å; F150-V172 HydrophobicContact CD2-CB 4.04Å; F150-V172 HydrophobicContact CD2-CG1 3.7Å; F150-V172 HydrophobicContact CD2-CG2 4.39Å; F150-V172 HydrophobicContact CE1-CB 3.94Å; F150-V172 HydrophobicContact CE1-CG1 4.35Å; F150-V172 HydrophobicContact CE2-CB 3.58Å; F150-V172 HydrophobicContact CE2-CG1 3.78Å; F150-V172 HydrophobicContact CE2-CG2 3.66Å; F150-V172 HydrophobicContact CG-CB 4.42Å; F150-V172 HydrophobicContact CG-CG1 3.97Å; F150-V172 HydrophobicContact CZ-CB 3.53Å; F150-V172 HydrophobicContact CZ-CG1 4.11Å; F150-V172 HydrophobicContact CZ-CG2 3.87Å; K169-V172 PolarHBondContact O-N 2.71Å; K169-V172 VanDerWaalsContact O-N 3.09Å; V172-N174 VanDerWaalsContact C-N 3.32Å; V172-N174 PolarHBondContact O-N 2.7Å; V172-F175 PolarHBondContact O-N 3.42Å; V172-F175 VanDerWaalsContact O-N 3.14Å; V172-I176 HydrophobicContact CG1-CD1 3.99Å; V172-I176 HydrophobicContact CG1-CG1 4.49Å; V172-I176 WeakPolarHBondContact O-CG1 3.23Å; V172-I176 PolarHBondContact O-N 3.24Å
173E98Very high96.4Very high22 Ų2255 Ų5510%0.10328%0.275CS..Hα-helixtrans-57.9-45.3178.4-68.2-172.5-172.800111.8F150 K169 F175 I176 K177F150-E173 HydrophobicContact CD1-CG 4.16Å; F150-E173 HydrophobicContact CE1-CG 3.66Å; K169-E173 IonicContact NZ-OE1 2.76Å; K169-E173 PolarHBondContact NZ-OE1 3.29Å; K169-E173 WeakPolarHBondContact O-CG 3.43Å; K169-E173 PolarHBondContact O-N 2.81Å; E173-F175 VanDerWaalsContact C-N 3.29Å; E173-F175 PolarHBondContact O-N 3.34Å; E173-I176 PolarHBondContact O-N 2.87Å; E173-K177 HydrophobicContact CB-CD 4.4Å; E173-K177 VanDerWaalsContact O-CB 3.26Å; E173-K177 WeakPolarHBondContact O-CB 3.3Å; E173-K177 WeakPolarHBondContact O-CD 3.4Å; E173-K177 WeakPolarHBondContact O-CG 3.23Å; E173-K177 PolarHBondContact O-N 3.05Å; E173-K177 IonicContact OE2-NZ 2.89Å; E173-K177 PolarHBondContact OE2-NZ 3.12Å
174N97.9Very high96.3Very high42 Ų4258.1 Ų58.123%0.22531%0.307CS..Hα-helixtrans-65.9-34.9179.6-179.455.8000111.5E170 V172 K177 V178 W189 N193 Y197E170-N174 WeakPolarHBondContact O-CB 3.2Å; E170-N174 PolarHBondContact O-N 2.95Å; V172-N174 VanDerWaalsContact C-N 3.32Å; V172-N174 PolarHBondContact O-N 2.7Å; N174-K177 PolarHBondContact O-N 2.87Å; N174-V178 PolarHBondContact O-N 3.22Å; N174-W189 PolarHBondContact OD1-NE1 3.49Å; N174-N193 VanDerWaalsContact ND2-CG 3.31Å; N174-N193 PolarHBondContact ND2-OD1 3.36Å; N174-Y197 WeakPolarHBondContact CB-OH 3.09Å; N174-Y197 PolarHBondContact ND2-OH 3.39Å
175F98.2Very high96.4Very high1 Ų148.5 Ų48.50%0.00428%0.279CS..Hα-helixtrans-67.1-38.2175.5-164.8-93.9000112.4V129 F132 A133 F171 V172 E173 V178 Y197 Q201 V205V129-F175 HydrophobicContact CG1-CB 4.41Å; V129-F175 HydrophobicContact CG1-CD1 4.12Å; V129-F175 HydrophobicContact CG1-CD2 3.61Å; V129-F175 HydrophobicContact CG1-CE1 4.31Å; V129-F175 HydrophobicContact CG1-CE2 3.83Å; V129-F175 HydrophobicContact CG1-CG 3.76Å; V129-F175 HydrophobicContact CG1-CZ 4.18Å; V129-F175 HydrophobicContact CG2-CB 4.08Å; V129-F175 HydrophobicContact CG2-CG 4.21Å; F132-F175 HydrophobicContact CB-CD1 4.06Å; F132-F175 HydrophobicContact CB-CE1 3.75Å; A133-F175 HydrophobicContact CB-CE1 4.47Å; A133-F175 HydrophobicContact CB-CZ 3.87Å; F171-F175 PolarHBondContact O-N 2.87Å; V172-F175 PolarHBondContact O-N 3.42Å; V172-F175 VanDerWaalsContact O-N 3.14Å; E173-F175 VanDerWaalsContact C-N 3.29Å; E173-F175 PolarHBondContact O-N 3.34Å; F175-V178 WeakPolarHBondContact O-CG1 3.48Å; F175-Y197 HydrophobicContact CB-CE1 4.02Å; F175-Y197 AromaticContact CD2-CD1 3.9Å; F175-Y197 HydrophobicContact CD2-CD1 3.9Å; F175-Y197 AromaticContact CD2-CE1 3.71Å; F175-Y197 HydrophobicContact CD2-CE1 3.71Å; F175-Y197 HydrophobicContact CD2-CE2 4.35Å; F175-Y197 HydrophobicContact CD2-CG 4.32Å; F175-Y197 AromaticContact CD2-CZ 3.95Å; F175-Y197 HydrophobicContact CG-CE1 4.3Å; F175-Y197 PolarHBondContact N-OH 2.81Å; F175-Y197 VanDerWaalsContact N-OH 3.1Å; F175-Q201 HydrophobicContact CE2-CB 3.99Å; F175-Q201 HydrophobicContact CZ-CB 4.49Å; F175-V205 HydrophobicContact CD2-CG2 4.38Å; F175-V205 HydrophobicContact CE2-CG2 3.64Å; F175-V205 HydrophobicContact CZ-CG2 3.73Å
176I97.1Very high96.5Very high2 Ų245 Ų451%0.0125%0.25CS..Hα-helixtrans-74.2-37.3176.1-63168.7000111.1F132 M146 Q147 F150 V172 E173 V178 Y179F132-I176 HydrophobicContact CD2-CG1 4.35Å; F132-I176 HydrophobicContact CE2-CD1 3.98Å; F132-I176 HydrophobicContact CE2-CG1 4.22Å; M146-I176 HydrophobicContact CB-CD1 4.08Å; M146-I176 HydrophobicContact CB-CG1 4.29Å; M146-I176 HydrophobicContact CB-CG2 4.42Å; Q147-I176 HydrophobicContact CB-CG2 4.46Å; F150-I176 HydrophobicContact CB-CD1 4.23Å; V172-I176 HydrophobicContact CG1-CD1 3.99Å; V172-I176 HydrophobicContact CG1-CG1 4.49Å; V172-I176 WeakPolarHBondContact O-CG1 3.23Å; V172-I176 PolarHBondContact O-N 3.24Å; E173-I176 PolarHBondContact O-N 2.87Å; I176-V178 VanDerWaalsContact C-N 3.31Å; I176-V178 PolarHBondContact O-N 2.66Å; I176-Y179 WeakPolarHBondContact O-CD2 3.44Å
177K96.3Very high96.4Very high100 Ų10048 Ų4844%0.43526%0.264SS..Hα-helixtrans-71.9-21.2-176-75167.6-177.3170.90113.7E173 N174 Y179 Y180E173-K177 HydrophobicContact CB-CD 4.4Å; E173-K177 VanDerWaalsContact O-CB 3.26Å; E173-K177 WeakPolarHBondContact O-CB 3.3Å; E173-K177 WeakPolarHBondContact O-CD 3.4Å; E173-K177 WeakPolarHBondContact O-CG 3.23Å; E173-K177 PolarHBondContact O-N 3.05Å; E173-K177 IonicContact OE2-NZ 2.89Å; E173-K177 PolarHBondContact OE2-NZ 3.12Å; N174-K177 PolarHBondContact O-N 2.87Å; K177-Y179 PolarHBondContact O-N 2.81Å; K177-Y179 VanDerWaalsContact O-N 3.16Å; K177-Y180 PolarHBondContact O-N 3.44Å; K177-Y180 VanDerWaalsContact O-N 3.08Å
178V95.8Very high96.3Very high0 Ų051 Ų510%027%0.274CS..G310 helixtrans-57.8-31.7-177.272.70000113.4N174 F175 I176 Y180 V181 M186 W189 V205N174-V178 PolarHBondContact O-N 3.22Å; F175-V178 WeakPolarHBondContact O-CG1 3.48Å; I176-V178 VanDerWaalsContact C-N 3.31Å; I176-V178 PolarHBondContact O-N 2.66Å; V178-Y180 PolarHBondContact O-N 3.18Å; V178-V181 VanDerWaalsContact O-CB 3.29Å; V178-V181 WeakPolarHBondContact O-CB 3.47Å; V178-V181 PolarHBondContact O-N 3.02Å; V178-M186 HydrophobicContact CG2-CE 3.79Å; V178-M186 HydrophobicContact CG2-SD 3.93Å; V178-W189 HydrophobicContact CB-CD2 4.2Å; V178-W189 HydrophobicContact CB-CH2 3.94Å; V178-W189 HydrophobicContact CB-CZ2 3.56Å; V178-W189 HydrophobicContact CB-CZ3 4.4Å; V178-W189 HydrophobicContact CG1-CH2 4.32Å; V178-W189 HydrophobicContact CG1-CZ2 4.32Å; V178-W189 HydrophobicContact CG2-CD2 3.37Å; V178-W189 VanDerWaalsContact CG2-CE2 3.41Å; V178-W189 HydrophobicContact CG2-CE3 3.5Å; V178-W189 HydrophobicContact CG2-CG 4Å; V178-W189 HydrophobicContact CG2-CH2 3.74Å; V178-W189 HydrophobicContact CG2-CZ2 3.61Å; V178-W189 HydrophobicContact CG2-CZ3 3.69Å; V178-V205 HydrophobicContact CB-CG1 4.24Å; V178-V205 HydrophobicContact CG1-CB 4.37Å; V178-V205 HydrophobicContact CG1-CG1 3.43Å; V178-V205 VanDerWaalsContact CG1-CG1 3.43Å; V178-V205 HydrophobicContact CG1-CG2 3.93Å; V178-V205 HydrophobicContact CG2-CG1 3.73Å
179Y94Very high96.4Very high15 Ų1550.2 Ų50.26%0.05926%0.259CS..G310 helixtrans-64.8-13.7-179.7-66.7-70.9000114.4R143 I176 K177 T208R143-Y179 VanDerWaalsContact CD-CG 3.43Å; R143-Y179 HydrophobicContact CG-CD2 4.34Å; I176-Y179 WeakPolarHBondContact O-CD2 3.44Å; K177-Y179 PolarHBondContact O-N 2.81Å; K177-Y179 VanDerWaalsContact O-N 3.16Å; Y179-T208 WeakPolarHBondContact CE1-OG1 3.44Å; Y179-T208 PolarHBondContact OH-OG1 3.3Å
180Y93.7Very high96.3Very high130 Ų13047.5 Ų47.551%0.5125%0.247SC..G310 helixtrans-104.2-1.3177.8-53.8-85.7000112.4R143 K177 V178R143-Y180 VanDerWaalsContact CB-OH 3.31Å; R143-Y180 WeakPolarHBondContact CB-OH 3.26Å; K177-Y180 PolarHBondContact O-N 3.44Å; K177-Y180 VanDerWaalsContact O-N 3.08Å; V178-Y180 PolarHBondContact O-N 3.18Å
181V94.2Very high96.1Very high32 Ų3245.9 Ų45.919%0.19424%0.244CC..SBendtrans-72.3133.2176174.80000108.9V178 H211V178-V181 VanDerWaalsContact O-CB 3.29Å; V178-V181 WeakPolarHBondContact O-CB 3.47Å; V178-V181 PolarHBondContact O-N 3.02Å; V181-H211 PolarHBondContact O-NE2 3.39Å
182P95Very high96Very high84 Ų8448.5 Ų48.555%0.54526%0.26SS..  trans-61.4149.5175.8-23.133.4000112.4A184 S185 M186P182-A184 PolarHBondContact O-N 3.35Å; P182-A184 VanDerWaalsContact O-N 3.07Å; P182-S185 PolarHBondContact O-N 3.23Å; P182-M186 PolarHBondContact O-N 3.2Å
183E96.1Very high95.9Very high63 Ų6348.8 Ų48.829%0.29426%0.262SS..Hα-helixtrans-50.3-40.3179.5-179.3172.9-170.100112.8S185 M186 L212 S213 T216E183-S185 PolarHBondContact O-N 2.57Å; E183-M186 WeakPolarHBondContact O-CB 3.48Å; E183-M186 PolarHBondContact O-N 3.02Å; E183-L212 HydrophobicContact CB-CD2 4.16Å; E183-L212 HydrophobicContact CG-CD2 3.86Å; E183-S213 VanDerWaalsContact OE1-CB 3.23Å; E183-S213 WeakPolarHBondContact OE1-CB 3.29Å; E183-S213 PolarHBondContact OE1-N 3.32Å; E183-S213 PolarHBondContact OE1-OG 3.01Å; E183-T216 HydrophobicContact CG-CG2 3.97Å; E183-T216 WeakPolarHBondContact OE1-CB 3.24Å; E183-T216 PolarHBondContact OE1-OG1 2.8Å
184A94.9Very high95.6Very high95 Ų9552.3 Ų52.379%0.78527%0.274SS*.Hα-helixtrans-63.9-24.2179.300000114.2P182P182-A184 PolarHBondContact O-N 3.35Å; P182-A184 VanDerWaalsContact O-N 3.07Å
185S96.3Very high95.4Very high58 Ų5858 Ų5841%0.40631%0.305SS..Hα-helixtrans-99.3-7.2-179.8-60.60000113.2P182 E183 E187 Q188 W189P182-S185 PolarHBondContact O-N 3.23Å; E183-S185 PolarHBondContact O-N 2.57Å; S185-E187 VanDerWaalsContact C-N 3.32Å; S185-E187 PolarHBondContact O-N 3.08Å; S185-Q188 PolarHBondContact O-N 2.64Å; S185-W189 PolarHBondContact O-N 2.9Å
186M95.8Very high95.2Very high0 Ų064 Ų640%033%0.331CS..Hα-helixtrans-62.4-38.7-175.2-169.964.9-155.700112.5V178 P182 E183 W189 I190 V205 L212 L220V178-M186 HydrophobicContact CG2-CE 3.79Å; V178-M186 HydrophobicContact CG2-SD 3.93Å; P182-M186 PolarHBondContact O-N 3.2Å; E183-M186 WeakPolarHBondContact O-CB 3.48Å; E183-M186 PolarHBondContact O-N 3.02Å; M186-W189 HydrophobicContact CE-CE3 4.1Å; M186-W189 HydrophobicContact CE-CZ3 4.46Å; M186-W189 PolarHBondContact O-N 3.27Å; M186-I190 HydrophobicContact CE-CD1 3.93Å; M186-I190 HydrophobicContact CE-CG1 3.93Å; M186-I190 WeakPolarHBondContact O-CG1 3.23Å; M186-I190 PolarHBondContact O-N 3.49Å; M186-V205 HydrophobicContact CE-CB 4.43Å; M186-V205 HydrophobicContact CE-CG1 3.41Å; M186-V205 VanDerWaalsContact CE-CG1 3.41Å; M186-L212 HydrophobicContact CB-CD2 4.03Å; M186-L212 HydrophobicContact CG-CD1 4.19Å; M186-L212 HydrophobicContact CG-CD2 3.89Å; M186-L220 HydrophobicContact CB-CD1 4.19Å; M186-L220 HydrophobicContact CG-CD1 3.5Å; M186-L220 VanDerWaalsContact CG-CD1 3.5Å
187E95.5Very high95.2Very high72 Ų7264.3 Ų64.334%0.33633%0.332SS..Hα-helixtrans-63.4-48.3178.6-171.3168.8146.500111.9S185 W189 I190 V191 R219 L220 L223S185-E187 VanDerWaalsContact C-N 3.32Å; S185-E187 PolarHBondContact O-N 3.08Å; E187-W189 VanDerWaalsContact C-N 3.31Å; E187-W189 PolarHBondContact O-N 2.98Å; E187-I190 PolarHBondContact O-N 3.45Å; E187-V191 WeakPolarHBondContact O-CG2 3.49Å; E187-V191 PolarHBondContact O-N 2.63Å; E187-R219 IonicContact OE2-CZ 3.79Å; E187-R219 IonicContact OE2-NE 3.76Å; E187-R219 PolarHBondContact OE2-NE 3.13Å; E187-R219 IonicContact OE2-NH2 2.89Å; E187-R219 PolarHBondContact OE2-NH2 3.35Å; E187-L220 HydrophobicContact CB-CD2 3.79Å; E187-L220 HydrophobicContact CG-CD2 4.02Å; E187-L223 HydrophobicContact CG-CD2 4.03Å
188Q95.8Very high95.2Very high111 Ų11162.2 Ų62.252%0.51933%0.33SS..Hα-helixtrans-61.4-41.9177.2-171.761.650.200111.1S185 I190 V191 D192S185-Q188 PolarHBondContact O-N 2.64Å; Q188-I190 VanDerWaalsContact C-N 3.31Å; Q188-I190 PolarHBondContact O-N 3.07Å; Q188-V191 PolarHBondContact O-N 2.94Å; Q188-D192 PolarHBondContact NE2-OD1 3.36Å; Q188-D192 WeakPolarHBondContact O-CB 3.41Å; Q188-D192 VanDerWaalsContact O-CG 3.23Å; Q188-D192 PolarHBondContact O-N 3.27Å
189W96.9Very high95.1Very high22 Ų2264.8 Ų64.88%0.08334%0.344CS..Hα-helixtrans-60.2-41.1177.3-174.695.5000112N174 V178 S185 M186 E187 D192 N193 Y197 L202N174-W189 PolarHBondContact OD1-NE1 3.49Å; V178-W189 HydrophobicContact CB-CD2 4.2Å; V178-W189 HydrophobicContact CB-CH2 3.94Å; V178-W189 HydrophobicContact CB-CZ2 3.56Å; V178-W189 HydrophobicContact CB-CZ3 4.4Å; V178-W189 HydrophobicContact CG1-CH2 4.32Å; V178-W189 HydrophobicContact CG1-CZ2 4.32Å; V178-W189 HydrophobicContact CG2-CD2 3.37Å; V178-W189 VanDerWaalsContact CG2-CE2 3.41Å; V178-W189 HydrophobicContact CG2-CE3 3.5Å; V178-W189 HydrophobicContact CG2-CG 4Å; V178-W189 HydrophobicContact CG2-CH2 3.74Å; V178-W189 HydrophobicContact CG2-CZ2 3.61Å; V178-W189 HydrophobicContact CG2-CZ3 3.69Å; S185-W189 PolarHBondContact O-N 2.9Å; M186-W189 HydrophobicContact CE-CE3 4.1Å; M186-W189 HydrophobicContact CE-CZ3 4.46Å; M186-W189 PolarHBondContact O-N 3.27Å; E187-W189 VanDerWaalsContact C-N 3.31Å; E187-W189 PolarHBondContact O-N 2.98Å; W189-D192 PolarHBondContact O-N 3.42Å; W189-N193 HydrophobicContact CH2-CB 4.45Å; W189-N193 HydrophobicContact CZ2-CB 4.45Å; W189-N193 PolarHBondContact NE1-ND2 3.01Å; W189-N193 WeakPolarHBondContact O-CB 3.4Å; W189-N193 PolarHBondContact O-N 3.2Å; W189-N193 VanDerWaalsContact O-N 3.1Å; W189-N193 PolarHBondContact O-ND2 2.74Å; W189-Y197 AromaticContact CH2-CD2 3.86Å; W189-Y197 HydrophobicContact CH2-CD2 3.86Å; W189-Y197 AromaticContact CH2-CE2 3.55Å; W189-Y197 HydrophobicContact CH2-CE2 3.55Å; W189-Y197 HydrophobicContact CZ2-CD2 4.4Å; W189-Y197 AromaticContact CZ2-CE2 3.66Å; W189-Y197 HydrophobicContact CZ2-CE2 3.66Å; W189-L202 HydrophobicContact CH2-CD2 4.29Å; W189-L202 HydrophobicContact CZ3-CD2 3.72Å
190I95.9Very high95.1Very high1 Ų172.1 Ų72.11%0.00538%0.376CS..Hα-helixtrans-63.8-45176.6-72.1177.5000110.8M186 E187 Q188 N193 R194 I206 L220 L223 L224M186-I190 HydrophobicContact CE-CD1 3.93Å; M186-I190 HydrophobicContact CE-CG1 3.93Å; M186-I190 WeakPolarHBondContact O-CG1 3.23Å; M186-I190 PolarHBondContact O-N 3.49Å; E187-I190 PolarHBondContact O-N 3.45Å; Q188-I190 VanDerWaalsContact C-N 3.31Å; Q188-I190 PolarHBondContact O-N 3.07Å; I190-N193 PolarHBondContact O-N 3.17Å; I190-R194 WeakPolarHBondContact O-CB 3.37Å; I190-R194 PolarHBondContact O-N 3.25Å; I190-I206 HydrophobicContact CD1-CD1 3.8Å; I190-I206 HydrophobicContact CD1-CG1 3.79Å; I190-L220 HydrophobicContact CD1-CB 4.04Å; I190-L220 HydrophobicContact CD1-CD1 3.88Å; I190-L220 HydrophobicContact CD1-CD2 4.07Å; I190-L220 HydrophobicContact CD1-CG 4.19Å; I190-L223 HydrophobicContact CG2-CD2 4.17Å; I190-L224 HydrophobicContact CG2-CD2 3.72Å
191V94.9Very high95.3Very high72 Ų7267.1 Ų67.144%0.43636%0.357SS..Hα-helixtrans-59.9-48.4177.9173.30000110.9E187 Q188 N193 R194 L223E187-V191 WeakPolarHBondContact O-CG2 3.49Å; E187-V191 PolarHBondContact O-N 2.63Å; Q188-V191 PolarHBondContact O-N 2.94Å; V191-N193 PolarHBondContact O-N 3.27Å; V191-R194 WeakPolarHBondContact O-CB 3.31Å; V191-R194 PolarHBondContact O-N 3.07Å; V191-L223 HydrophobicContact CG2-CD2 4.02Å
192D95.6Very high95.4Very high96 Ų9665.6 Ų65.651%0.51335%0.348SS..Hα-helixtrans-66.7-25-177.1-68.4-13.7000113.4Q188 W189Q188-D192 PolarHBondContact NE2-OD1 3.36Å; Q188-D192 WeakPolarHBondContact O-CB 3.41Å; Q188-D192 VanDerWaalsContact O-CG 3.23Å; Q188-D192 PolarHBondContact O-N 3.27Å; W189-D192 PolarHBondContact O-N 3.42Å
193N95.9Very high95.5Very high7 Ų765.2 Ų65.24%0.03734%0.339CS..Hα-helixtrans-109.27.4-176.2-64.6-74000114.1N174 W189 I190 V191 N195 K196 Y197N174-N193 VanDerWaalsContact ND2-CG 3.31Å; N174-N193 PolarHBondContact ND2-OD1 3.36Å; W189-N193 HydrophobicContact CH2-CB 4.45Å; W189-N193 HydrophobicContact CZ2-CB 4.45Å; W189-N193 PolarHBondContact NE1-ND2 3.01Å; W189-N193 WeakPolarHBondContact O-CB 3.4Å; W189-N193 PolarHBondContact O-N 3.2Å; W189-N193 VanDerWaalsContact O-N 3.1Å; W189-N193 PolarHBondContact O-ND2 2.74Å; I190-N193 PolarHBondContact O-N 3.17Å; V191-N193 PolarHBondContact O-N 3.27Å; N193-N195 VanDerWaalsContact C-N 3.29Å; N193-N195 PolarHBondContact O-N 2.94Å; N193-K196 PolarHBondContact O-N 2.94Å; N193-K196 PolarHBondContact OD1-NZ 2.94Å; N193-Y197 HydrophobicContact CB-CD2 3.65Å; N193-Y197 HydrophobicContact CB-CE2 3.65Å; N193-Y197 PolarHBondContact O-N 3.34Å; N193-Y197 VanDerWaalsContact O-N 3.1Å
194R92.2Very high95.4Very high96 Ų9662.9 Ų62.936%0.36233%0.329SS..THydrogen-bonded Turntrans-60.2-33.5-178.5-170.9166.9178.8-88.8-23.1114.5I190 V191 S227I190-R194 WeakPolarHBondContact O-CB 3.37Å; I190-R194 PolarHBondContact O-N 3.25Å; V191-R194 WeakPolarHBondContact O-CB 3.31Å; V191-R194 PolarHBondContact O-N 3.07Å; R194-S227 PolarHBondContact NE-OG 2.98Å; R194-S227 VanDerWaalsContact NH2-C 3.31Å; R194-S227 PolarHBondContact NH2-O 3.39Å; R194-S227 PolarHBondContact NH2-OG 2.87Å
195N93Very high95.5Very high161 Ų16158.3 Ų58.386%0.86129%0.292SS*.THydrogen-bonded Turntrans-89.2-2.9177.9-64.3-29000113.1N193N193-N195 VanDerWaalsContact C-N 3.29Å; N193-N195 PolarHBondContact O-N 2.94Å
196K94.7Very high95.4Very high127 Ų12755.6 Ų55.655%0.55227%0.273SS*.THydrogen-bonded Turntrans-102.9-41.9-177.5-62.8179.5-169.8162.10111.6F171 N193F171-K196 WeakPolarHBondContact CE2-O 3.44Å; N193-K196 PolarHBondContact O-N 2.94Å; N193-K196 PolarHBondContact OD1-NZ 2.94Å
197Y97.2Very high95.3Very high8 Ų860.4 Ų60.43%0.03130%0.298CS..SBendtrans-109.3150.8179.8-52.8-64.7000111.4V129 F171 N174 F175 W189 N193 L202V129-Y197 HydrophobicContact CG1-CD1 4.05Å; V129-Y197 HydrophobicContact CG1-CE1 4.19Å; F171-Y197 HydrophobicContact CD2-CD1 4.15Å; F171-Y197 AromaticContact CD2-CE1 3.57Å; F171-Y197 HydrophobicContact CD2-CE1 3.57Å; F171-Y197 AromaticContact CE2-CD1 3.38Å; F171-Y197 HydrophobicContact CE2-CD1 3.38Å; F171-Y197 AromaticContact CE2-CE1 3.26Å; F171-Y197 HydrophobicContact CE2-CE1 3.26Å; F171-Y197 HydrophobicContact CE2-CG 4.5Å; F171-Y197 HydrophobicContact CG-CE1 4.36Å; F171-Y197 AromaticContact CZ-CD1 3.82Å; F171-Y197 HydrophobicContact CZ-CD1 3.82Å; F171-Y197 AromaticContact CZ-CE1 3.84Å; F171-Y197 HydrophobicContact CZ-CE1 3.84Å; F171-Y197 PolarHBondContact O-OH 3.09Å; N174-Y197 WeakPolarHBondContact CB-OH 3.09Å; N174-Y197 PolarHBondContact ND2-OH 3.39Å; F175-Y197 HydrophobicContact CB-CE1 4.02Å; F175-Y197 AromaticContact CD2-CD1 3.9Å; F175-Y197 HydrophobicContact CD2-CD1 3.9Å; F175-Y197 AromaticContact CD2-CE1 3.71Å; F175-Y197 HydrophobicContact CD2-CE1 3.71Å; F175-Y197 HydrophobicContact CD2-CE2 4.35Å; F175-Y197 HydrophobicContact CD2-CG 4.32Å; F175-Y197 AromaticContact CD2-CZ 3.95Å; F175-Y197 HydrophobicContact CG-CE1 4.3Å; F175-Y197 PolarHBondContact N-OH 2.81Å; F175-Y197 VanDerWaalsContact N-OH 3.1Å; W189-Y197 AromaticContact CH2-CD2 3.86Å; W189-Y197 HydrophobicContact CH2-CD2 3.86Å; W189-Y197 AromaticContact CH2-CE2 3.55Å; W189-Y197 HydrophobicContact CH2-CE2 3.55Å; W189-Y197 HydrophobicContact CZ2-CD2 4.4Å; W189-Y197 AromaticContact CZ2-CE2 3.66Å; W189-Y197 HydrophobicContact CZ2-CE2 3.66Å; N193-Y197 HydrophobicContact CB-CD2 3.65Å; N193-Y197 HydrophobicContact CB-CE2 3.65Å; N193-Y197 PolarHBondContact O-N 3.34Å; N193-Y197 VanDerWaalsContact O-N 3.1Å; Y197-L202 HydrophobicContact CD2-CD2 3.95Å; Y197-L202 HydrophobicContact CG-CD2 4.41Å
198S95.4Very high95.2Very high57 Ų5757.5 Ų57.540%0.39929%0.285SS..  trans-68.7156.7171.4670000111.8K200 Q201 L202S198-K200 PolarHBondContact O-N 2.89Å; S198-Q201 WeakPolarHBondContact O-CB 3.36Å; S198-Q201 PolarHBondContact O-N 2.69Å; S198-Q201 VanDerWaalsContact OG-CD 3.26Å; S198-Q201 VanDerWaalsContact OG-CG 3.3Å; S198-Q201 WeakPolarHBondContact OG-CG 3.49Å; S198-Q201 PolarHBondContact OG-N 3.25Å; S198-Q201 PolarHBondContact OG-OE1 3.47Å; S198-Q201 VanDerWaalsContact OG-OE1 3.05Å; S198-L202 PolarHBondContact O-N 3.01Å
199N94.6Very high95.1Very high54 Ų5452.2 Ų52.229%0.28926%0.261SS..Hα-helixtrans-53.5-41.9174.8-76.1-2.8000112Q201 L202 E203N199-Q201 VanDerWaalsContact C-N 3.31Å; N199-Q201 PolarHBondContact O-N 3.19Å; N199-L202 PolarHBondContact O-N 3.49Å; N199-E203 WeakPolarHBondContact O-CB 3.47Å; N199-E203 VanDerWaalsContact O-CG 3.23Å; N199-E203 WeakPolarHBondContact O-CG 3.44Å; N199-E203 PolarHBondContact O-N 2.77Å
200K94.4Very high94.7Very high169 Ų16956.7 Ų56.774%0.73529%0.291SS*.Hα-helixtrans-59.3-41.1176.9-68.2-174.9176.8-178.10112.7S198 S204S198-K200 PolarHBondContact O-N 2.89Å; K200-S204 WeakPolarHBondContact O-CB 3.3Å; K200-S204 PolarHBondContact O-N 2.92Å
201Q97.1Very high94.5Very high25 Ų2559.9 Ų59.912%0.11731%0.305CS..Hα-helixtrans-66.6-42.2177-74.1161.7-23.100111.1V129 A133 F175 S198 N199 S204 V205V129-Q201 HydrophobicContact CG1-CG 4.15Å; A133-Q201 HydrophobicContact CB-CB 4.17Å; A133-Q201 HydrophobicContact CB-CG 3.68Å; F175-Q201 HydrophobicContact CE2-CB 3.99Å; F175-Q201 HydrophobicContact CZ-CB 4.49Å; S198-Q201 WeakPolarHBondContact O-CB 3.36Å; S198-Q201 PolarHBondContact O-N 2.69Å; S198-Q201 VanDerWaalsContact OG-CD 3.26Å; S198-Q201 VanDerWaalsContact OG-CG 3.3Å; S198-Q201 WeakPolarHBondContact OG-CG 3.49Å; S198-Q201 PolarHBondContact OG-N 3.25Å; S198-Q201 PolarHBondContact OG-OE1 3.47Å; S198-Q201 VanDerWaalsContact OG-OE1 3.05Å; N199-Q201 VanDerWaalsContact C-N 3.31Å; N199-Q201 PolarHBondContact O-N 3.19Å; Q201-S204 WeakPolarHBondContact O-CB 3.46Å; Q201-S204 PolarHBondContact O-N 3.47Å; Q201-V205 WeakPolarHBondContact O-CG2 3.38Å; Q201-V205 PolarHBondContact O-N 3.37Å
202L96.9Very high94.4Very high0 Ų056.7 Ų56.70%029%0.286CS..Hα-helixtrans-66.4-42.6176.6-62.9172.9000112.2W189 Y197 S198 N199 S204 V205 I206 L224W189-L202 HydrophobicContact CH2-CD2 4.29Å; W189-L202 HydrophobicContact CZ3-CD2 3.72Å; Y197-L202 HydrophobicContact CD2-CD2 3.95Å; Y197-L202 HydrophobicContact CG-CD2 4.41Å; S198-L202 PolarHBondContact O-N 3.01Å; N199-L202 PolarHBondContact O-N 3.49Å; L202-S204 VanDerWaalsContact C-N 3.3Å; L202-S204 PolarHBondContact O-N 3.33Å; L202-V205 PolarHBondContact O-N 3.21Å; L202-I206 WeakPolarHBondContact O-CG1 3.24Å; L202-I206 PolarHBondContact O-N 3.06Å; L202-I206 VanDerWaalsContact O-N 3.12Å; L202-L224 HydrophobicContact CB-CD1 3.91Å; L202-L224 HydrophobicContact CB-CD2 4.04Å; L202-L224 HydrophobicContact CD1-CD2 3.73Å
203E95.6Very high94.4Very high76 Ų7654.4 Ų54.436%0.35528%0.277SS..Hα-helixtrans-60.2-40.6174.8-73.4173.2-177.100111.6N199 V205 I206 N207 F221 L224N199-E203 WeakPolarHBondContact O-CB 3.47Å; N199-E203 VanDerWaalsContact O-CG 3.23Å; N199-E203 WeakPolarHBondContact O-CG 3.44Å; N199-E203 PolarHBondContact O-N 2.77Å; E203-V205 VanDerWaalsContact C-N 3.35Å; E203-V205 PolarHBondContact O-N 3.36Å; E203-I206 PolarHBondContact O-N 3.09Å; E203-N207 WeakPolarHBondContact O-CB 3.38Å; E203-N207 PolarHBondContact O-N 2.99Å; E203-N207 PolarHBondContact O-ND2 3.34Å; E203-N207 VanDerWaalsContact O-ND2 3.14Å; E203-F221 HydrophobicContact CB-CE1 4Å; E203-F221 HydrophobicContact CG-CD1 4.22Å; E203-F221 HydrophobicContact CG-CE1 3.88Å; E203-L224 HydrophobicContact CG-CD1 3.69Å
204S95.6Very high94.3Very high13 Ų1359.8 Ų59.89%0.09131%0.305CS..Hα-helixtrans-59.2-46.2175177.60000111.6A133 K200 Q201 L202 I206 N207 T208A133-S204 WeakPolarHBondContact CA-OG 3.36Å; A133-S204 WeakPolarHBondContact O-CB 3.43Å; A133-S204 PolarHBondContact O-OG 3.18Å; K200-S204 WeakPolarHBondContact O-CB 3.3Å; K200-S204 PolarHBondContact O-N 2.92Å; Q201-S204 WeakPolarHBondContact O-CB 3.46Å; Q201-S204 PolarHBondContact O-N 3.47Å; L202-S204 VanDerWaalsContact C-N 3.3Å; L202-S204 PolarHBondContact O-N 3.33Å; S204-I206 VanDerWaalsContact C-N 3.32Å; S204-I206 PolarHBondContact O-N 3.18Å; S204-N207 PolarHBondContact O-N 3.48Å; S204-T208 WeakPolarHBondContact O-CB 3.41Å; S204-T208 WeakPolarHBondContact O-CG2 3.11Å; S204-T208 PolarHBondContact O-N 3.18Å; S204-T208 PolarHBondContact O-OG1 3.16Å
205V95.7Very high94.4Very high0 Ų062.9 Ų62.90%032%0.321CS..Hα-helixtrans-58.6-44.2176.7176.20000111.3F175 V178 M186 Q201 L202 E203 N207 T208 S209F175-V205 HydrophobicContact CD2-CG2 4.38Å; F175-V205 HydrophobicContact CE2-CG2 3.64Å; F175-V205 HydrophobicContact CZ-CG2 3.73Å; V178-V205 HydrophobicContact CB-CG1 4.24Å; V178-V205 HydrophobicContact CG1-CB 4.37Å; V178-V205 HydrophobicContact CG1-CG1 3.43Å; V178-V205 VanDerWaalsContact CG1-CG1 3.43Å; V178-V205 HydrophobicContact CG1-CG2 3.93Å; V178-V205 HydrophobicContact CG2-CG1 3.73Å; M186-V205 HydrophobicContact CE-CB 4.43Å; M186-V205 HydrophobicContact CE-CG1 3.41Å; M186-V205 VanDerWaalsContact CE-CG1 3.41Å; Q201-V205 WeakPolarHBondContact O-CG2 3.38Å; Q201-V205 PolarHBondContact O-N 3.37Å; L202-V205 PolarHBondContact O-N 3.21Å; E203-V205 VanDerWaalsContact C-N 3.35Å; E203-V205 PolarHBondContact O-N 3.36Å; V205-N207 PolarHBondContact O-N 3.41Å; V205-T208 PolarHBondContact O-N 2.72Å; V205-T208 PolarHBondContact O-OG1 3.33Å; V205-S209 VanDerWaalsContact O-CB 3.24Å; V205-S209 WeakPolarHBondContact O-CB 3.47Å; V205-S209 PolarHBondContact O-N 2.99Å; V205-S209 PolarHBondContact O-OG 2.88Å
206I95.6Very high94.6Very high0 Ų055.8 Ų55.80%028%0.284CS..Hα-helixtrans-62.4-45.1178.3-61.6165000111.1I190 L202 E203 S204 L212 R217 L220 F221 L224I190-I206 HydrophobicContact CD1-CD1 3.8Å; I190-I206 HydrophobicContact CD1-CG1 3.79Å; L202-I206 WeakPolarHBondContact O-CG1 3.24Å; L202-I206 PolarHBondContact O-N 3.06Å; L202-I206 VanDerWaalsContact O-N 3.12Å; E203-I206 PolarHBondContact O-N 3.09Å; S204-I206 VanDerWaalsContact C-N 3.32Å; S204-I206 PolarHBondContact O-N 3.18Å; I206-L212 HydrophobicContact CG2-CD1 4.29Å; I206-R217 HydrophobicContact CG2-CB 4.08Å; I206-R217 HydrophobicContact CG2-CG 3.97Å; I206-L220 HydrophobicContact CD1-CB 3.65Å; I206-L220 HydrophobicContact CG1-CB 4.11Å; I206-L220 HydrophobicContact CG1-CD1 4.24Å; I206-L220 HydrophobicContact CG2-CB 4.44Å; I206-F221 HydrophobicContact CB-CE1 4.38Å; I206-F221 HydrophobicContact CB-CE2 4.35Å; I206-F221 HydrophobicContact CB-CZ 3.96Å; I206-F221 HydrophobicContact CD1-CD1 4.3Å; I206-F221 HydrophobicContact CD1-CE1 4.27Å; I206-F221 HydrophobicContact CG2-CD2 4.08Å; I206-F221 HydrophobicContact CG2-CE1 4.35Å; I206-F221 HydrophobicContact CG2-CE2 3.52Å; I206-F221 HydrophobicContact CG2-CZ 3.65Å; I206-L224 HydrophobicContact CD1-CD1 3.54Å; I206-L224 HydrophobicContact CD1-CG 4.34Å
207N93.8Very high94.6Very high102 Ų10252.8 Ų52.855%0.54527%0.269SS..Hα-helixtrans-66-38-178.5-81.1-42.9000112.8E203 S204 V205 F221E203-N207 WeakPolarHBondContact O-CB 3.38Å; E203-N207 PolarHBondContact O-N 2.99Å; E203-N207 PolarHBondContact O-ND2 3.34Å; E203-N207 VanDerWaalsContact O-ND2 3.14Å; S204-N207 PolarHBondContact O-N 3.48Å; V205-N207 PolarHBondContact O-N 3.41Å; N207-F221 WeakPolarHBondContact OD1-CZ 3.21Å
208T92.4Very high94.5Very high10 Ų1058.3 Ų58.36%0.06130%0.295CS..Hα-helixtrans-89.7-13.5-174.552.60000113.6V135 Y179 S204 V205 V210V135-T208 WeakPolarHBondContact O-CG2 3.47Å; Y179-T208 WeakPolarHBondContact CE1-OG1 3.44Å; Y179-T208 PolarHBondContact OH-OG1 3.3Å; S204-T208 WeakPolarHBondContact O-CB 3.41Å; S204-T208 WeakPolarHBondContact O-CG2 3.11Å; S204-T208 PolarHBondContact O-N 3.18Å; S204-T208 PolarHBondContact O-OG1 3.16Å; V205-T208 PolarHBondContact O-N 2.72Å; V205-T208 PolarHBondContact O-OG1 3.33Å; T208-V210 PolarHBondContact O-N 3.3Å; T208-V210 VanDerWaalsContact O-N 3.1Å
209S92.9Very high94.5Very high1 Ų161 Ų611%0.00730%0.296CS..  trans-76.497.4177.3-66.50000111.5V205 H211 L212 R217V205-S209 VanDerWaalsContact O-CB 3.24Å; V205-S209 WeakPolarHBondContact O-CB 3.47Å; V205-S209 PolarHBondContact O-N 2.99Å; V205-S209 PolarHBondContact O-OG 2.88Å; S209-H211 VanDerWaalsContact C-N 3.26Å; S209-H211 PolarHBondContact O-N 3.02Å; S209-L212 PolarHBondContact O-N 3.01Å; S209-R217 PolarHBondContact O-NH2 3.43Å
210V89.3Confident94.6Very high116 Ų11658.4 Ų58.470%0.70328%0.283SS*.THydrogen-bonded Turntrans-62.5-29.7-177.4-64.30000113.8T208 L212 R217T208-V210 PolarHBondContact O-N 3.3Å; T208-V210 VanDerWaalsContact O-N 3.1Å; V210-L212 VanDerWaalsContact C-N 3.27Å; V210-L212 PolarHBondContact O-N 3.47Å; V210-R217 PolarHBondContact O-NH2 3.1Å
211H91.1Very high94.6Very high68 Ų6853.4 Ų53.432%0.31526%0.261SS..THydrogen-bonded Turntrans-75.4-11.2-17767.4-96.8000113.8V181 S209V181-H211 PolarHBondContact O-NE2 3.39Å; S209-H211 VanDerWaalsContact C-N 3.26Å; S209-H211 PolarHBondContact O-N 3.02Å
212L94Very high94.5Very high5 Ų554.9 Ų54.93%0.02627%0.274CS..SBendtrans-78.8131.2179.9-61.2179.9000111.3E183 M186 I206 S209 V210 T216 R217 L220E183-L212 HydrophobicContact CB-CD2 4.16Å; E183-L212 HydrophobicContact CG-CD2 3.86Å; M186-L212 HydrophobicContact CB-CD2 4.03Å; M186-L212 HydrophobicContact CG-CD1 4.19Å; M186-L212 HydrophobicContact CG-CD2 3.89Å; I206-L212 HydrophobicContact CG2-CD1 4.29Å; S209-L212 PolarHBondContact O-N 3.01Å; V210-L212 VanDerWaalsContact C-N 3.27Å; V210-L212 PolarHBondContact O-N 3.47Å; L212-T216 HydrophobicContact CD2-CG2 4.16Å; L212-R217 HydrophobicContact CB-CG 3.8Å; L212-R217 HydrophobicContact CD1-CG 4.29Å; L212-R217 PolarHBondContact O-NH1 2.66Å; L212-R217 PolarHBondContact O-NH2 2.62Å; L212-R217 VanDerWaalsContact O-NH2 3.1Å; L212-L220 HydrophobicContact CD1-CD1 4.07Å
213S94.8Very high94.3Very high48 Ų4857.3 Ų57.334%0.33629%0.287SS..  trans-66.6156.217070.30000111.7E183 K215 T216 R217E183-S213 VanDerWaalsContact OE1-CB 3.23Å; E183-S213 WeakPolarHBondContact OE1-CB 3.29Å; E183-S213 PolarHBondContact OE1-N 3.32Å; E183-S213 PolarHBondContact OE1-OG 3.01Å; S213-K215 PolarHBondContact O-N 3.42Å; S213-T216 PolarHBondContact O-N 3.14Å; S213-T216 VanDerWaalsContact O-N 3.17Å; S213-T216 WeakPolarHBondContact OG-CB 3.46Å; S213-T216 PolarHBondContact OG-N 3.29Å; S213-T216 PolarHBondContact OG-OG1 3.47Å; S213-T216 VanDerWaalsContact OG-OG1 3.08Å; S213-R217 PolarHBondContact O-N 3.1Å
214L94.4Very high94.2Very high119 Ų11953.9 Ų53.962%0.62327%0.271SS*.Hα-helixtrans-55.7-41.4176.5-178.863.9000112.1R217 Q218L214-R217 PolarHBondContact O-N 2.92Å; L214-Q218 WeakPolarHBondContact O-CG 3.47Å; L214-Q218 PolarHBondContact O-N 3.37Å
215K94.9Very high93.9Very high162 Ų16256.3 Ų56.370%0.70429%0.292SS*.Hα-helixtrans-62.3-44.8178.5-175.5178.9179.8-179.90111.3S213 R219S213-K215 PolarHBondContact O-N 3.42Å; K215-R219 PolarHBondContact O-N 3.27Å; K215-R219 VanDerWaalsContact O-N 3.1Å
216T95.5Very high93.3Very high12 Ų1263.4 Ų63.47%0.07433%0.329CS..Hα-helixtrans-65.6-45.2176.9-62.20000110.9E183 L212 S213 Q218 R219 L220E183-T216 HydrophobicContact CG-CG2 3.97Å; E183-T216 WeakPolarHBondContact OE1-CB 3.24Å; E183-T216 PolarHBondContact OE1-OG1 2.8Å; L212-T216 HydrophobicContact CD2-CG2 4.16Å; S213-T216 PolarHBondContact O-N 3.14Å; S213-T216 VanDerWaalsContact O-N 3.17Å; S213-T216 WeakPolarHBondContact OG-CB 3.46Å; S213-T216 PolarHBondContact OG-N 3.29Å; S213-T216 PolarHBondContact OG-OG1 3.47Å; S213-T216 VanDerWaalsContact OG-OG1 3.08Å; T216-Q218 VanDerWaalsContact C-N 3.35Å; T216-Q218 PolarHBondContact O-N 3.36Å; T216-R219 PolarHBondContact O-N 3.32Å; T216-R219 VanDerWaalsContact O-N 3.13Å; T216-L220 HydrophobicContact CG2-CD1 3.87Å; T216-L220 HydrophobicContact CG2-CG 4.06Å; T216-L220 VanDerWaalsContact O-CG 3.3Å; T216-L220 WeakPolarHBondContact O-CG 3.1Å; T216-L220 PolarHBondContact O-N 3.42Å
217R95.9Very high91.8Very high63 Ų6365 Ų6524%0.23834%0.34CS..Hα-helixtrans-54.2-49.7176-70.3-169.8-174.1110.78.6111.9I206 S209 V210 L212 S213 L214 R219 L220 F221I206-R217 HydrophobicContact CG2-CB 4.08Å; I206-R217 HydrophobicContact CG2-CG 3.97Å; S209-R217 PolarHBondContact O-NH2 3.43Å; V210-R217 PolarHBondContact O-NH2 3.1Å; L212-R217 HydrophobicContact CB-CG 3.8Å; L212-R217 HydrophobicContact CD1-CG 4.29Å; L212-R217 PolarHBondContact O-NH1 2.66Å; L212-R217 PolarHBondContact O-NH2 2.62Å; L212-R217 VanDerWaalsContact O-NH2 3.1Å; S213-R217 PolarHBondContact O-N 3.1Å; L214-R217 PolarHBondContact O-N 2.92Å; R217-R219 VanDerWaalsContact C-N 3.33Å; R217-R219 PolarHBondContact O-N 3.5Å; R217-L220 PolarHBondContact O-N 3.22Å; R217-F221 HydrophobicContact CB-CE2 4.39Å; R217-F221 WeakPolarHBondContact O-CD2 3.42Å; R217-F221 PolarHBondContact O-N 2.96Å
218Q95.5Very high90Very high124 Ų12463.5 Ų63.558%0.57934%0.337SS*.Hα-helixtrans-58.1-44177.7-73175.3-9.700112.3L214 T216 F221 S222L214-Q218 WeakPolarHBondContact O-CG 3.47Å; L214-Q218 PolarHBondContact O-N 3.37Å; T216-Q218 VanDerWaalsContact C-N 3.35Å; T216-Q218 PolarHBondContact O-N 3.36Å; Q218-F221 PolarHBondContact O-N 3.14Å; Q218-S222 PolarHBondContact O-N 3.17Å
219R95.2Very high87.5Confident113 Ų11365.4 Ų65.443%0.42636%0.359SS..Hα-helixtrans-61.6-46.6176.6-171174.975.8-143.30.4111.8E187 K215 T216 R217 F221 S222 L223E187-R219 IonicContact OE2-CZ 3.79Å; E187-R219 IonicContact OE2-NE 3.76Å; E187-R219 PolarHBondContact OE2-NE 3.13Å; E187-R219 IonicContact OE2-NH2 2.89Å; E187-R219 PolarHBondContact OE2-NH2 3.35Å; K215-R219 PolarHBondContact O-N 3.27Å; K215-R219 VanDerWaalsContact O-N 3.1Å; T216-R219 PolarHBondContact O-N 3.32Å; T216-R219 VanDerWaalsContact O-N 3.13Å; R217-R219 VanDerWaalsContact C-N 3.33Å; R217-R219 PolarHBondContact O-N 3.5Å; R219-F221 PolarHBondContact O-N 3.24Å; R219-S222 PolarHBondContact O-N 3.29Å; R219-S222 PolarHBondContact O-OG 3.49Å; R219-L223 PolarHBondContact O-N 2.92Å
220L96Very high84.9Confident0 Ų071.3 Ų71.30%040%0.398CS..Hα-helixtrans-65.8-38.4180-61.5-179.8000112.2M186 E187 I190 I206 L212 T216 R217 S222 L223 L224M186-L220 HydrophobicContact CB-CD1 4.19Å; M186-L220 HydrophobicContact CG-CD1 3.5Å; M186-L220 VanDerWaalsContact CG-CD1 3.5Å; E187-L220 HydrophobicContact CB-CD2 3.79Å; E187-L220 HydrophobicContact CG-CD2 4.02Å; I190-L220 HydrophobicContact CD1-CB 4.04Å; I190-L220 HydrophobicContact CD1-CD1 3.88Å; I190-L220 HydrophobicContact CD1-CD2 4.07Å; I190-L220 HydrophobicContact CD1-CG 4.19Å; I206-L220 HydrophobicContact CD1-CB 3.65Å; I206-L220 HydrophobicContact CG1-CB 4.11Å; I206-L220 HydrophobicContact CG1-CD1 4.24Å; I206-L220 HydrophobicContact CG2-CB 4.44Å; L212-L220 HydrophobicContact CD1-CD1 4.07Å; T216-L220 HydrophobicContact CG2-CD1 3.87Å; T216-L220 HydrophobicContact CG2-CG 4.06Å; T216-L220 VanDerWaalsContact O-CG 3.3Å; T216-L220 WeakPolarHBondContact O-CG 3.1Å; T216-L220 PolarHBondContact O-N 3.42Å; R217-L220 PolarHBondContact O-N 3.22Å; L220-S222 VanDerWaalsContact C-N 3.35Å; L220-L223 WeakPolarHBondContact O-CB 3.33Å; L220-L223 PolarHBondContact O-N 3.37Å; L220-L224 PolarHBondContact O-N 3Å; L220-L224 VanDerWaalsContact O-N 3.07Å
221F95.5Very high82.6Confident64 Ų6470.7 Ų70.728%0.28140%0.404SS..Hα-helixtrans-62.9-41.4172.1-78.3-61.3000112.2E203 I206 N207 R217 Q218 R219 L223 L224 A225E203-F221 HydrophobicContact CB-CE1 4Å; E203-F221 HydrophobicContact CG-CD1 4.22Å; E203-F221 HydrophobicContact CG-CE1 3.88Å; I206-F221 HydrophobicContact CB-CE1 4.38Å; I206-F221 HydrophobicContact CB-CE2 4.35Å; I206-F221 HydrophobicContact CB-CZ 3.96Å; I206-F221 HydrophobicContact CD1-CD1 4.3Å; I206-F221 HydrophobicContact CD1-CE1 4.27Å; I206-F221 HydrophobicContact CG2-CD2 4.08Å; I206-F221 HydrophobicContact CG2-CE1 4.35Å; I206-F221 HydrophobicContact CG2-CE2 3.52Å; I206-F221 HydrophobicContact CG2-CZ 3.65Å; N207-F221 WeakPolarHBondContact OD1-CZ 3.21Å; R217-F221 HydrophobicContact CB-CE2 4.39Å; R217-F221 WeakPolarHBondContact O-CD2 3.42Å; R217-F221 PolarHBondContact O-N 2.96Å; Q218-F221 PolarHBondContact O-N 3.14Å; R219-F221 PolarHBondContact O-N 3.24Å; F221-L223 VanDerWaalsContact C-N 3.29Å; F221-L223 PolarHBondContact O-N 2.95Å; F221-L224 PolarHBondContact O-N 3.4Å; F221-A225 WeakPolarHBondContact O-CB 3.32Å; F221-A225 PolarHBondContact O-N 3.03Å
222S94.2Very high79.8Confident56 Ų5676.7 Ų76.739%0.39243%0.433SS..Hα-helixtrans-62.2-37.9175.6750000112.1Q218 R219 L220 A225 L226Q218-S222 PolarHBondContact O-N 3.17Å; R219-S222 PolarHBondContact O-N 3.29Å; R219-S222 PolarHBondContact O-OG 3.49Å; L220-S222 VanDerWaalsContact C-N 3.35Å; S222-A225 PolarHBondContact O-N 3.47Å; S222-L226 WeakPolarHBondContact O-CB 3.4Å; S222-L226 VanDerWaalsContact O-CG 3.26Å; S222-L226 WeakPolarHBondContact O-CG 3.28Å; S222-L226 PolarHBondContact O-N 2.77Å
223L92.8Very high76.7Confident52 Ų5289.8 Ų89.827%0.27249%0.49SS..Hα-helixtrans-61.8-44.3175.4179.167.6000111.7E187 I190 V191 R219 L220 F221 S227E187-L223 HydrophobicContact CG-CD2 4.03Å; I190-L223 HydrophobicContact CG2-CD2 4.17Å; V191-L223 HydrophobicContact CG2-CD2 4.02Å; R219-L223 PolarHBondContact O-N 2.92Å; L220-L223 WeakPolarHBondContact O-CB 3.33Å; L220-L223 PolarHBondContact O-N 3.37Å; F221-L223 VanDerWaalsContact C-N 3.29Å; F221-L223 PolarHBondContact O-N 2.95Å; L223-S227 WeakPolarHBondContact O-CB 3.14Å; L223-S227 PolarHBondContact O-OG 3.46Å
224L92.8Very high75.8Confident3 Ų391.9 Ų91.92%0.01650%0.497CS..Hα-helixtrans-63.7-44.4175.1-66.4-178.8000111.1I190 L202 E203 I206 L220 F221 S227 S228I190-L224 HydrophobicContact CG2-CD2 3.72Å; L202-L224 HydrophobicContact CB-CD1 3.91Å; L202-L224 HydrophobicContact CB-CD2 4.04Å; L202-L224 HydrophobicContact CD1-CD2 3.73Å; E203-L224 HydrophobicContact CG-CD1 3.69Å; I206-L224 HydrophobicContact CD1-CD1 3.54Å; I206-L224 HydrophobicContact CD1-CG 4.34Å; L220-L224 PolarHBondContact O-N 3Å; L220-L224 VanDerWaalsContact O-N 3.07Å; F221-L224 PolarHBondContact O-N 3.4Å; L224-S227 PolarHBondContact O-N 3.25Å; L224-S227 PolarHBondContact O-OG 3.25Å; L224-S228 PolarHBondContact O-OG 3.1Å
225A89.7Confident74.8Confident64 Ų6490.5 Ų90.553%0.52949%0.491SS..Hα-helixtrans-64.5-48.1-177.600000113.6F221 S222 S227 S228F221-A225 WeakPolarHBondContact O-CB 3.32Å; F221-A225 PolarHBondContact O-N 3.03Å; S222-A225 PolarHBondContact O-N 3.47Å; A225-S227 PolarHBondContact O-N 2.99Å; A225-S228 WeakPolarHBondContact O-CB 3.32Å; A225-S228 PolarHBondContact O-N 3.05Å; A225-S228 VanDerWaalsContact O-N 3.09Å; A225-S228 PolarHBondContact O-OG 3.32Å
226L82.7Confident73.7Confident150 Ų15086.5 Ų86.579%0.78548%0.479SS*.Hα-helixtrans-55.8-23.6179.9-75.5169.5000113.3S222S222-L226 WeakPolarHBondContact O-CB 3.4Å; S222-L226 VanDerWaalsContact O-CG 3.26Å; S222-L226 WeakPolarHBondContact O-CG 3.28Å; S222-L226 PolarHBondContact O-N 2.77Å
227S65.1Low72.4Confident32 Ų3290.9 Ų90.922%0.22450%0.503CS..THydrogen-bonded Turntrans-97.7-6-170.783.60000113R194 L223 L224 A225 G229R194-S227 PolarHBondContact NE-OG 2.98Å; R194-S227 VanDerWaalsContact NH2-C 3.31Å; R194-S227 PolarHBondContact NH2-O 3.39Å; R194-S227 PolarHBondContact NH2-OG 2.87Å; L223-S227 WeakPolarHBondContact O-CB 3.14Å; L223-S227 PolarHBondContact O-OG 3.46Å; L224-S227 PolarHBondContact O-N 3.25Å; L224-S227 PolarHBondContact O-OG 3.25Å; A225-S227 PolarHBondContact O-N 2.99Å; S227-G229 PolarHBondContact O-N 3.38Å
228S55.3Low71Confident71 Ų7192.6 Ų92.650%0.49752%0.519SS..  trans-77.713.6177.1-32.10000113.8L224 A225L224-S228 PolarHBondContact O-OG 3.1Å; A225-S228 WeakPolarHBondContact O-CB 3.32Å; A225-S228 PolarHBondContact O-N 3.05Å; A225-S228 VanDerWaalsContact O-N 3.09Å; A225-S228 PolarHBondContact O-OG 3.32Å
229G39.1Very low69.3Low50 Ų5090.5 Ų90.552%0.51552%0.515SS..SBendtrans-55.414517200000110.9S227 A231S227-G229 PolarHBondContact O-N 3.38Å; G229-A231 PolarHBondContact O-N 3.07Å
230P39.6Very low67.5Low126 Ų12688.9 Ų88.982%0.81852%0.521SS*.  trans-53.6125.9-159.518.5-30.2000111.9Q232P230-Q232 PolarHBondContact O-N 2.91Å; P230-Q232 VanDerWaalsContact O-N 3.08Å
231A41.2Very low65.3Low102 Ų10295.8 Ų95.884%0.84356%0.562SS**  trans-46116.7173.800000109.4G229 K233G229-A231 PolarHBondContact O-N 3.07Å; A231-K233 PolarHBondContact O-N 3.32Å
232Q31.1Very low62.8Low194 Ų19498.4 Ų98.491%0.90759%0.585SS**  trans-64.1105.1173.3-75.2-179.6-2400108.6P230P230-Q232 PolarHBondContact O-N 2.91Å; P230-Q232 VanDerWaalsContact O-N 3.08Å
233K29.6Very low59.9Low281 Ų281102.3 Ų102.3100%1.22260%0.602SS**  trans39.90154.8-66.8-175.8178.7-179.50118.5A231A231-K233 PolarHBondContact O-N 3.32Å

Retrieved 233 of 233 residues in 184.1 ms (Link to these results)

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