A0A077YWS1_TRITR Loading...

Rho GTPase activating protein 44

AlphaFold DB , UniProt , Accession A0A077YWS1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 805 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
1M58.8Low78.9Confident206 Ų206135.5 Ų135.5100%1.01562%0.618SS**  0-68.80-78.7-59.9-103.500113.2N3 F4 K5M1-N3 PolarHBondContact O-N 3.27Å; M1-F4 WeakPolarHBondContact O-CA 3.48Å; M1-F4 WeakPolarHBondContact O-CB 3.33Å; M1-F4 PolarHBondContact O-N 3.11Å; M1-K5 PolarHBondContact O-N 2.96Å; M1-K5 VanDerWaalsContact O-N 3.11Å
2E74.9Confident78.6Confident129 Ų129133.6 Ų133.660%0.60361%0.61SS**Hα-helixtrans-59.2-42.4-166.3-138.6-164.8132.100115.1F4 K5 K6E2-F4 VanDerWaalsContact C-N 3.28Å; E2-F4 PolarHBondContact O-N 2.79Å; E2-K5 WeakPolarHBondContact O-CB 3.35Å; E2-K5 PolarHBondContact O-N 3.35Å; E2-K5 VanDerWaalsContact O-N 3.13Å; E2-K6 PolarHBondContact O-N 2.89Å; E2-K6 WeakPolarHBondContact OE1-CE 3.49Å; E2-K6 IonicContact OE1-NZ 3.7Å; E2-K6 PolarHBondContact OE1-NZ 2.93Å
3N78.2Confident78.5Confident130 Ų130131.2 Ų131.270%0.69560%0.6SS**Hα-helixtrans-62.5-32.3175.1-71.1-11.8000113.1M1 H7M1-N3 PolarHBondContact O-N 3.27Å; N3-H7 WeakPolarHBondContact O-CB 3.35Å; N3-H7 PolarHBondContact O-N 3.13Å
4F80.6Confident78.2Confident134 Ų134129.1 Ų129.159%0.58860%0.595SS**Hα-helixtrans-69.6-40.3173.7-176.7-96.1000111.1M1 E2 H7 M8M1-F4 WeakPolarHBondContact O-CA 3.48Å; M1-F4 WeakPolarHBondContact O-CB 3.33Å; M1-F4 PolarHBondContact O-N 3.11Å; E2-F4 VanDerWaalsContact C-N 3.28Å; E2-F4 PolarHBondContact O-N 2.79Å; F4-H7 PolarHBondContact O-N 3.38Å; F4-M8 HydrophobicContact CD1-CG 4.11Å; F4-M8 HydrophobicContact CE1-CG 3.69Å; F4-M8 HydrophobicContact CE1-SD 4.45Å; F4-M8 HydrophobicContact CE2-CG 4.48Å; F4-M8 HydrophobicContact CZ-CG 3.89Å; F4-M8 HydrophobicContact CZ-SD 4.24Å; F4-M8 WeakPolarHBondContact O-CB 3.48Å; F4-M8 WeakPolarHBondContact O-CG 3.49Å; F4-M8 PolarHBondContact O-N 3.04Å
5K83.9Confident77.6Confident160 Ų160124 Ų12470%0.69658%0.584SS**Hα-helixtrans-62.6-42.5174.2-161.3175.4-175.3-179.60111.4M1 E2 Y9M1-K5 PolarHBondContact O-N 2.96Å; M1-K5 VanDerWaalsContact O-N 3.11Å; E2-K5 WeakPolarHBondContact O-CB 3.35Å; E2-K5 PolarHBondContact O-N 3.35Å; E2-K5 VanDerWaalsContact O-N 3.13Å; K5-Y9 PolarHBondContact O-N 2.85Å
6K83.9Confident76.6Confident120 Ų120123.8 Ų123.852%0.52258%0.583SS.*Hα-helixtrans-63.2-41172.8-71.5172.5-176.4158.40112.2E2 Y9 R10E2-K6 PolarHBondContact O-N 2.89Å; E2-K6 WeakPolarHBondContact OE1-CE 3.49Å; E2-K6 IonicContact OE1-NZ 3.7Å; E2-K6 PolarHBondContact OE1-NZ 2.93Å; K6-Y9 PolarHBondContact O-N 3.24Å; K6-R10 PolarHBondContact O-N 3.03Å; K6-R10 VanDerWaalsContact O-N 3.12Å
7H83Confident75.8Confident113 Ų113122.4 Ų122.452%0.52358%0.576SS.*Hα-helixtrans-65.4-48.2176.8-172.587.2000112N3 F4 Y9 R10 V11N3-H7 WeakPolarHBondContact O-CB 3.35Å; N3-H7 PolarHBondContact O-N 3.13Å; F4-H7 PolarHBondContact O-N 3.38Å; H7-Y9 VanDerWaalsContact C-N 3.33Å; H7-Y9 PolarHBondContact O-N 2.86Å; H7-R10 WeakPolarHBondContact O-CA 3.39Å; H7-R10 WeakPolarHBondContact O-CB 3.47Å; H7-R10 PolarHBondContact O-N 3.31Å; H7-V11 WeakPolarHBondContact O-CG2 3.38Å; H7-V11 PolarHBondContact O-N 2.87Å
8M80.7Confident74.7Confident90 Ų90120.9 Ų120.944%0.44358%0.577SS.*Hα-helixtrans-58.3-41.1174.9-77.2-77.399.800112.5F4 R10 V11 H12F4-M8 HydrophobicContact CD1-CG 4.11Å; F4-M8 HydrophobicContact CE1-CG 3.69Å; F4-M8 HydrophobicContact CE1-SD 4.45Å; F4-M8 HydrophobicContact CE2-CG 4.48Å; F4-M8 HydrophobicContact CZ-CG 3.89Å; F4-M8 HydrophobicContact CZ-SD 4.24Å; F4-M8 WeakPolarHBondContact O-CB 3.48Å; F4-M8 WeakPolarHBondContact O-CG 3.49Å; F4-M8 PolarHBondContact O-N 3.04Å; M8-R10 VanDerWaalsContact C-N 3.27Å; M8-R10 PolarHBondContact O-N 3.39Å; M8-V11 HydrophobicContact CE-CB 4.4Å; M8-V11 HydrophobicContact CE-CG2 4.39Å; M8-V11 PolarHBondContact O-N 3.12Å; M8-H12 WeakPolarHBondContact O-CB 3.46Å; M8-H12 PolarHBondContact O-N 3.48Å
9Y81.4Confident73.5Confident163 Ų163119.4 Ų119.464%0.63958%0.576SS**Hα-helixtrans-62.8-35.4174.9-137.7-84.7000112.4K5 K6 H7 Q13K5-Y9 PolarHBondContact O-N 2.85Å; K6-Y9 PolarHBondContact O-N 3.24Å; H7-Y9 VanDerWaalsContact C-N 3.33Å; H7-Y9 PolarHBondContact O-N 2.86Å; Y9-Q13 PolarHBondContact O-N 2.88Å
10R80.5Confident72.2Confident182 Ų182114.8 Ų114.869%0.68756%0.561SS**Hα-helixtrans-71.6-40.8176.1-138.1175.3-161.6165.14.8112K6 H7 M8 Q13 L14K6-R10 PolarHBondContact O-N 3.03Å; K6-R10 VanDerWaalsContact O-N 3.12Å; H7-R10 WeakPolarHBondContact O-CA 3.39Å; H7-R10 WeakPolarHBondContact O-CB 3.47Å; H7-R10 PolarHBondContact O-N 3.31Å; M8-R10 VanDerWaalsContact C-N 3.27Å; M8-R10 PolarHBondContact O-N 3.39Å; R10-Q13 PolarHBondContact O-N 3.4Å; R10-L14 WeakPolarHBondContact O-CB 3.28Å; R10-L14 VanDerWaalsContact O-CG 3.28Å; R10-L14 WeakPolarHBondContact O-CG 3.44Å; R10-L14 PolarHBondContact O-N 2.95Å
11V81.7Confident71Confident64 Ų64116.8 Ų116.839%0.38856%0.563SS.*Hα-helixtrans-63.3-41.4173.11730000110.7H7 M8 L14 A15H7-V11 WeakPolarHBondContact O-CG2 3.38Å; H7-V11 PolarHBondContact O-N 2.87Å; M8-V11 HydrophobicContact CE-CB 4.4Å; M8-V11 HydrophobicContact CE-CG2 4.39Å; M8-V11 PolarHBondContact O-N 3.12Å; V11-L14 PolarHBondContact O-N 3.43Å; V11-A15 WeakPolarHBondContact O-CB 3.4Å; V11-A15 PolarHBondContact O-N 3.39Å
12H75.8Confident70.2Confident112 Ų112109 Ų10952%0.51953%0.531SS..Hα-helixtrans-64-44.5174.9-167.2-77.6000112.1M8 L14 A15 Q16M8-H12 WeakPolarHBondContact O-CB 3.46Å; M8-H12 PolarHBondContact O-N 3.48Å; H12-L14 VanDerWaalsContact C-N 3.35Å; H12-L14 PolarHBondContact O-N 2.93Å; H12-A15 PolarHBondContact O-N 3.31Å; H12-Q16 PolarHBondContact CE1-OE1 3.25Å; H12-Q16 VanDerWaalsContact CE1-OE1 3.27Å; H12-Q16 PolarHBondContact ND1-OE1 3.28Å; H12-Q16 WeakPolarHBondContact O-CB 3.4Å; H12-Q16 WeakPolarHBondContact O-CG 3.47Å; H12-Q16 PolarHBondContact O-N 3.49Å
13Q77.5Confident68.5Low103 Ų103107.3 Ų107.348%0.48152%0.523SS..Hα-helixtrans-61.8-40.1173.1-84.6-170.9-25.500112.6Y9 R10 Q17Y9-Q13 PolarHBondContact O-N 2.88Å; R10-Q13 PolarHBondContact O-N 3.4Å; Q13-Q17 VanDerWaalsContact O-CB 3.27Å; Q13-Q17 WeakPolarHBondContact O-CB 3.42Å; Q13-Q17 WeakPolarHBondContact O-CG 3.38Å; Q13-Q17 PolarHBondContact O-N 3.27Å
14L74.6Confident66.8Low102 Ų102107.8 Ų107.853%0.53452%0.515SS..Hα-helixtrans-66.2-45.3176-73.8167.7000111.2R10 V11 H12 Q16 Q17 T18R10-L14 WeakPolarHBondContact O-CB 3.28Å; R10-L14 VanDerWaalsContact O-CG 3.28Å; R10-L14 WeakPolarHBondContact O-CG 3.44Å; R10-L14 PolarHBondContact O-N 2.95Å; V11-L14 PolarHBondContact O-N 3.43Å; H12-L14 VanDerWaalsContact C-N 3.35Å; H12-L14 PolarHBondContact O-N 2.93Å; L14-Q16 PolarHBondContact O-N 2.88Å; L14-Q17 CarbonylContact O-C 3.54Å; L14-Q17 PolarHBondContact O-N 3.31Å; L14-Q17 VanDerWaalsContact O-N 3.14Å; L14-T18 WeakPolarHBondContact O-CB 3.39Å; L14-T18 PolarHBondContact O-N 2.84Å; L14-T18 PolarHBondContact O-OG1 3.34Å; L14-T18 VanDerWaalsContact O-OG1 3.14Å
15A68.8Low65.1Low52 Ų52105.2 Ų105.243%0.4351%0.514SS..Hα-helixtrans-58-47175.100000111.7V11 H12 Q17 T18 V19V11-A15 WeakPolarHBondContact O-CB 3.4Å; V11-A15 PolarHBondContact O-N 3.39Å; H12-A15 PolarHBondContact O-N 3.31Å; A15-Q17 PolarHBondContact O-N 3.47Å; A15-T18 PolarHBondContact O-N 3.27Å; A15-V19 WeakPolarHBondContact O-CB 3.27Å; A15-V19 WeakPolarHBondContact O-CG2 3.45Å; A15-V19 PolarHBondContact O-N 2.95Å
16Q61.8Low63.5Low120 Ų120103.6 Ų103.656%0.56151%0.508SS*.Hα-helixtrans-65.5-35175.1-71.4-177.9-57.700112.9H12 L14 G20H12-Q16 PolarHBondContact CE1-OE1 3.25Å; H12-Q16 VanDerWaalsContact CE1-OE1 3.27Å; H12-Q16 PolarHBondContact ND1-OE1 3.28Å; H12-Q16 WeakPolarHBondContact O-CB 3.4Å; H12-Q16 WeakPolarHBondContact O-CG 3.47Å; H12-Q16 PolarHBondContact O-N 3.49Å; L14-Q16 PolarHBondContact O-N 2.88Å; Q16-G20 VanDerWaalsContact O-CA 3.25Å; Q16-G20 WeakPolarHBondContact O-CA 3.35Å; Q16-G20 PolarHBondContact O-N 3.42Å
17Q62.3Low62.1Low100 Ų10099.8 Ų99.847%0.46750%0.495SS..Hα-helixtrans-74.9-22.3175-82-162.929.800114.2Q13 L14 A15 R21Q13-Q17 VanDerWaalsContact O-CB 3.27Å; Q13-Q17 WeakPolarHBondContact O-CB 3.42Å; Q13-Q17 WeakPolarHBondContact O-CG 3.38Å; Q13-Q17 PolarHBondContact O-N 3.27Å; L14-Q17 CarbonylContact O-C 3.54Å; L14-Q17 PolarHBondContact O-N 3.31Å; L14-Q17 VanDerWaalsContact O-N 3.14Å; A15-Q17 PolarHBondContact O-N 3.47Å; Q17-R21 WeakPolarHBondContact O-CB 3.43Å; Q17-R21 WeakPolarHBondContact O-CD 3.32Å; Q17-R21 WeakPolarHBondContact O-CG 3.43Å; Q17-R21 PolarHBondContact O-N 2.87Å
18T56.2Low61Low97 Ų9797.1 Ų97.160%0.59548%0.481SS*.Hα-helixtrans-89.6-53.3177.3-62.90000110.5L14 A15 R21 A22L14-T18 WeakPolarHBondContact O-CB 3.39Å; L14-T18 PolarHBondContact O-N 2.84Å; L14-T18 PolarHBondContact O-OG1 3.34Å; L14-T18 VanDerWaalsContact O-OG1 3.14Å; A15-T18 PolarHBondContact O-N 3.27Å; T18-R21 PolarHBondContact O-N 3.01Å; T18-R21 VanDerWaalsContact O-N 3.12Å; T18-A22 PolarHBondContact O-N 3.41Å
19V51.4Low60.5Low91 Ų9195.9 Ų95.955%0.55248%0.481SS*.Hα-helixtrans-65.3-45177.7-179.50000110.6A15 R21 A22 E23A15-V19 WeakPolarHBondContact O-CB 3.27Å; A15-V19 WeakPolarHBondContact O-CG2 3.45Å; A15-V19 PolarHBondContact O-N 2.95Å; V19-R21 PolarHBondContact O-N 3.36Å; V19-A22 WeakPolarHBondContact O-CB 3.41Å; V19-A22 PolarHBondContact O-N 3.31Å; V19-A22 VanDerWaalsContact O-N 3.11Å; V19-E23 PolarHBondContact O-N 3.23Å
20G48.6Very low60.2Low28 Ų2895.3 Ų95.329%0.28948%0.484SS..Hα-helixtrans-73-4.4174.200000114.8Q16 R24Q16-G20 VanDerWaalsContact O-CA 3.25Å; Q16-G20 WeakPolarHBondContact O-CA 3.35Å; Q16-G20 PolarHBondContact O-N 3.42Å; G20-R24 WeakPolarHBondContact O-CD 3.25Å
21R46.9Very low60.2Low157 Ų15792.1 Ų92.159%0.59248%0.481SS*.Hα-helixtrans-90.7-38.5162-90.6-177.3175.1104.6-6.2111.9Q17 T18 V19 E23 R24 S25Q17-R21 WeakPolarHBondContact O-CB 3.43Å; Q17-R21 WeakPolarHBondContact O-CD 3.32Å; Q17-R21 WeakPolarHBondContact O-CG 3.43Å; Q17-R21 PolarHBondContact O-N 2.87Å; T18-R21 PolarHBondContact O-N 3.01Å; T18-R21 VanDerWaalsContact O-N 3.12Å; V19-R21 PolarHBondContact O-N 3.36Å; R21-E23 PolarHBondContact O-N 3.14Å; R21-R24 CarbonylContact O-C 3.53Å; R21-R24 WeakPolarHBondContact O-CA 3.1Å; R21-R24 WeakPolarHBondContact O-CB 3.4Å; R21-R24 PolarHBondContact O-N 2.85Å; R21-S25 PolarHBondContact O-N 3.12Å; R21-S25 PolarHBondContact O-OG 3.39Å
22A41.4Very low60.5Low41 Ų4189.7 Ų89.734%0.33947%0.466SS..Hα-helixtrans-51.6-57178.900000111.1T18 V19 R24 S25 E26T18-A22 PolarHBondContact O-N 3.41Å; V19-A22 WeakPolarHBondContact O-CB 3.41Å; V19-A22 PolarHBondContact O-N 3.31Å; V19-A22 VanDerWaalsContact O-N 3.11Å; A22-R24 PolarHBondContact O-N 2.83Å; A22-R24 VanDerWaalsContact O-N 3.08Å; A22-S25 WeakPolarHBondContact CA-OG 3.17Å; A22-S25 PolarHBondContact O-N 2.92Å; A22-S25 PolarHBondContact O-OG 3.44Å; A22-E26 WeakPolarHBondContact O-CG 3.47Å; A22-E26 PolarHBondContact O-N 3.39Å
23E39.2Very low61Low94 Ų9488.8 Ų88.844%0.43946%0.462SS..Hα-helixtrans-59.2-23.2175.8-65.1-177-157.500114.2V19 R21 E26 R159V19-E23 PolarHBondContact O-N 3.23Å; R21-E23 PolarHBondContact O-N 3.14Å; E23-E26 WeakPolarHBondContact CA-OE2 3.36Å; E23-R159 IonicContact OE2-CZ 2.69Å; E23-R159 IonicContact OE2-NH1 3.84Å; E23-R159 PolarHBondContact OE2-NH1 3.14Å; E23-R159 IonicContact OE2-NH2 2.91Å; E23-R159 PolarHBondContact OE2-NH2 3.48Å
24R43.2Very low61.5Low140 Ų14089.1 Ų89.153%0.52846%0.463SS..Hα-helixtrans-90.9-12176.4-76.1-177.3164.3149.9-4.2113.7G20 R21 A22 D156G20-R24 WeakPolarHBondContact O-CD 3.25Å; R21-R24 CarbonylContact O-C 3.53Å; R21-R24 WeakPolarHBondContact O-CA 3.1Å; R21-R24 WeakPolarHBondContact O-CB 3.4Å; R21-R24 PolarHBondContact O-N 2.85Å; A22-R24 PolarHBondContact O-N 2.83Å; A22-R24 VanDerWaalsContact O-N 3.08Å; R24-D156 IonicContact CZ-OD1 2.79Å; R24-D156 IonicContact NE-OD1 2.69Å; R24-D156 PolarHBondContact NE-OD1 2.95Å; R24-D156 IonicContact NH2-OD1 2.66Å; R24-D156 PolarHBondContact NH2-OD1 3.27Å
25S45.2Very low62.3Low81 Ų8185.9 Ų85.957%0.56645%0.448SS*.Hα-helixtrans-98.2-21171.742.90000113R21 A22 V27R21-S25 PolarHBondContact O-N 3.12Å; R21-S25 PolarHBondContact O-OG 3.39Å; A22-S25 WeakPolarHBondContact CA-OG 3.17Å; A22-S25 PolarHBondContact O-N 2.92Å; A22-S25 PolarHBondContact O-OG 3.44Å; S25-V27 PolarHBondContact O-N 2.93Å
26E50Low63.4Low125 Ų12584.1 Ų84.158%0.58443%0.43SS*.THydrogen-bonded Turntrans-65.621.8172.5-73.9169.9169.500114.7A22 E23 R28 K190A22-E26 WeakPolarHBondContact O-CG 3.47Å; A22-E26 PolarHBondContact O-N 3.39Å; E23-E26 WeakPolarHBondContact CA-OE2 3.36Å; E26-R28 VanDerWaalsContact C-N 3.32Å; E26-K190 WeakPolarHBondContact O-CE 3.43Å; E26-K190 PolarHBondContact O-NZ 3.11Å
27V53.6Low64.9Low40 Ų4083.8 Ų83.824%0.24243%0.429CS..THydrogen-bonded Turntrans-76.6-21.8171.9-179.30000111.3S25 V152 K190S25-V27 PolarHBondContact O-N 2.93Å; V27-V152 HydrophobicContact CG1-CG2 3.85Å; V27-V152 HydrophobicContact CG2-CG1 4.25Å; V27-K190 WeakPolarHBondContact O-CE 3.35Å
28R59.6Low66.4Low57 Ų5785.4 Ų85.422%0.21543%0.43CS..SBendtrans-143.8147.4171-76.9171.4162.358.31.5109.4E26 E36E26-R28 VanDerWaalsContact C-N 3.32Å; R28-E36 IonicContact CZ-OE2 3.37Å; R28-E36 IonicContact NE-OE1 3.47Å; R28-E36 IonicContact NE-OE2 2.84Å; R28-E36 PolarHBondContact NE-OE2 2.69Å; R28-E36 IonicContact NH2-OE1 3.21Å; R28-E36 PolarHBondContact NH2-OE1 2.73Å; R28-E36 IonicContact NH2-OE2 3.22Å; R28-E36 PolarHBondContact NH2-OE2 3.27Å
29S71Confident68.1Low65 Ų6581.3 Ų81.346%0.45541%0.405SS..  trans-76.4153.4160.258.60000110.3D31 L32 Q33S29-D31 VanDerWaalsContact C-N 3.3Å; S29-D31 PolarHBondContact O-N 3.36Å; S29-L32 PolarHBondContact O-N 3.04Å; S29-L32 VanDerWaalsContact OG-CB 3.29Å; S29-L32 WeakPolarHBondContact OG-CB 3.37Å; S29-L32 PolarHBondContact OG-N 2.93Å; S29-Q33 PolarHBondContact O-N 3.26Å; S29-Q33 VanDerWaalsContact O-N 3.13Å
30E75.8Confident70.1Confident151 Ų15182.2 Ų82.271%0.70640%0.403SS*.Hα-helixtrans-61.5-40.5178.5-166.8171.417000111.2L32 Q33 Q34E30-L32 PolarHBondContact O-N 2.78Å; E30-Q33 PolarHBondContact O-N 3.25Å; E30-Q34 WeakPolarHBondContact O-CG 3.42Å; E30-Q34 PolarHBondContact O-N 3.09Å
31D80.4Confident72.3Confident114 Ų11483.6 Ų83.661%0.6141%0.412SS*.Hα-helixtrans-58.2-45.5175.4-51.3-50.9000112.4S29 Q33 Q34 V35S29-D31 VanDerWaalsContact C-N 3.3Å; S29-D31 PolarHBondContact O-N 3.36Å; D31-Q33 VanDerWaalsContact C-N 3.3Å; D31-Q33 PolarHBondContact O-N 3.2Å; D31-Q34 PolarHBondContact O-N 3.33Å; D31-V35 WeakPolarHBondContact O-CG2 3.44Å; D31-V35 PolarHBondContact O-N 2.87Å
32L86.4Confident74.6Confident14 Ų1477.9 Ų77.97%0.07339%0.392CS..Hα-helixtrans-65.5-36.7179.2-179.863.2000111S29 E30 V35 E36 F193 A194 V197 F198S29-L32 PolarHBondContact O-N 3.04Å; S29-L32 VanDerWaalsContact OG-CB 3.29Å; S29-L32 WeakPolarHBondContact OG-CB 3.37Å; S29-L32 PolarHBondContact OG-N 2.93Å; E30-L32 PolarHBondContact O-N 2.78Å; L32-V35 PolarHBondContact O-N 3.4Å; L32-E36 VanDerWaalsContact O-CB 3.28Å; L32-E36 WeakPolarHBondContact O-CB 3.48Å; L32-E36 PolarHBondContact O-N 3.38Å; L32-F193 HydrophobicContact CD2-CD1 4.15Å; L32-F193 HydrophobicContact CD2-CE1 4.28Å; L32-F193 HydrophobicContact CG-CE1 4.5Å; L32-A194 HydrophobicContact CD1-CB 4.05Å; L32-A194 HydrophobicContact CD2-CB 3.97Å; L32-V197 HydrophobicContact CD1-CB 4.1Å; L32-V197 HydrophobicContact CD1-CG1 3.68Å; L32-F198 HydrophobicContact CD1-CE1 4.19Å; L32-F198 HydrophobicContact CD1-CE2 4.25Å; L32-F198 HydrophobicContact CD1-CZ 3.87Å
33Q86.8Confident77.2Confident93 Ų9376 Ų7644%0.43538%0.377SS..Hα-helixtrans-67.7-37175.3-175.1174.9-45.500112.2S29 E30 D31 Q37S29-Q33 PolarHBondContact O-N 3.26Å; S29-Q33 VanDerWaalsContact O-N 3.13Å; E30-Q33 PolarHBondContact O-N 3.25Å; D31-Q33 VanDerWaalsContact C-N 3.3Å; D31-Q33 PolarHBondContact O-N 3.2Å; Q33-Q37 VanDerWaalsContact O-CG 3.3Å; Q33-Q37 WeakPolarHBondContact O-CG 3.38Å; Q33-Q37 PolarHBondContact O-N 2.92Å
34Q89Confident79.9Confident109 Ų10975 Ų7551%0.50937%0.374SS..Hα-helixtrans-65.1-42.8173.9-68.6177.832.600111.6E30 D31 Q37 R38E30-Q34 WeakPolarHBondContact O-CG 3.42Å; E30-Q34 PolarHBondContact O-N 3.09Å; D31-Q34 PolarHBondContact O-N 3.33Å; Q34-Q37 PolarHBondContact O-N 3.18Å; Q34-R38 WeakPolarHBondContact O-CB 3.5Å; Q34-R38 PolarHBondContact O-N 3.35Å
35V91.6Very high82.4Confident35 Ų3571.8 Ų71.821%0.21237%0.37CS..Hα-helixtrans-66.7-41.8176.3176.90000111.4D31 L32 Q37 R38 I39 V197 F198 A201D31-V35 WeakPolarHBondContact O-CG2 3.44Å; D31-V35 PolarHBondContact O-N 2.87Å; L32-V35 PolarHBondContact O-N 3.4Å; V35-Q37 PolarHBondContact O-N 3.13Å; V35-R38 PolarHBondContact O-N 2.9Å; V35-I39 HydrophobicContact CG1-CD1 4Å; V35-I39 HydrophobicContact CG1-CG1 4.47Å; V35-I39 VanDerWaalsContact O-CG1 3.31Å; V35-I39 WeakPolarHBondContact O-CG1 3.27Å; V35-I39 PolarHBondContact O-N 3.24Å; V35-V197 HydrophobicContact CB-CG1 4.3Å; V35-V197 HydrophobicContact CG1-CG1 3.7Å; V35-F198 HydrophobicContact CB-CE1 4.49Å; V35-F198 HydrophobicContact CG1-CD1 4.2Å; V35-F198 HydrophobicContact CG1-CE1 4.34Å; V35-F198 HydrophobicContact CG2-CE1 4.34Å; V35-A201 HydrophobicContact CG1-CB 3.86Å
36E91.2Very high84.8Confident15 Ų1568.2 Ų68.27%0.0734%0.344CS..Hα-helixtrans-55-51173.4179.9177.5175.400111.4R28 L32 R38 I39 E40 K145 F193R28-E36 IonicContact CZ-OE2 3.37Å; R28-E36 IonicContact NE-OE1 3.47Å; R28-E36 IonicContact NE-OE2 2.84Å; R28-E36 PolarHBondContact NE-OE2 2.69Å; R28-E36 IonicContact NH2-OE1 3.21Å; R28-E36 PolarHBondContact NH2-OE1 2.73Å; R28-E36 IonicContact NH2-OE2 3.22Å; R28-E36 PolarHBondContact NH2-OE2 3.27Å; L32-E36 VanDerWaalsContact O-CB 3.28Å; L32-E36 WeakPolarHBondContact O-CB 3.48Å; L32-E36 PolarHBondContact O-N 3.38Å; E36-R38 PolarHBondContact O-N 3.48Å; E36-I39 PolarHBondContact O-N 2.87Å; E36-E40 WeakPolarHBondContact O-CB 3.47Å; E36-E40 PolarHBondContact O-N 2.89Å; E36-K145 VanDerWaalsContact OE1-CD 3.23Å; E36-K145 WeakPolarHBondContact OE1-CD 3.16Å; E36-K145 WeakPolarHBondContact OE1-CE 3.39Å; E36-K145 IonicContact OE1-NZ 2.87Å; E36-K145 PolarHBondContact OE1-NZ 3.16Å; E36-F193 HydrophobicContact CG-CZ 4.16Å; E36-F193 WeakPolarHBondContact OE2-CE1 3.4Å; E36-F193 WeakPolarHBondContact OE2-CZ 3.42Å
37Q92.4Very high87Confident112 Ų11265.8 Ų65.852%0.52333%0.333SS..Hα-helixtrans-63.9-38.2178.7-72.1176.94.200113.1Q33 Q34 V35 E40 A41Q33-Q37 VanDerWaalsContact O-CG 3.3Å; Q33-Q37 WeakPolarHBondContact O-CG 3.38Å; Q33-Q37 PolarHBondContact O-N 2.92Å; Q34-Q37 PolarHBondContact O-N 3.18Å; V35-Q37 PolarHBondContact O-N 3.13Å; Q37-E40 PolarHBondContact O-N 2.96Å; Q37-A41 PolarHBondContact O-N 3.27Å
38R93.9Very high89Confident134 Ų13469.7 Ų69.751%0.50634%0.343SS..Hα-helixtrans-62-47.7177179.4-178175.8-170.11.7111.4Q34 V35 E36 A41 M42 E204Q34-R38 WeakPolarHBondContact O-CB 3.5Å; Q34-R38 PolarHBondContact O-N 3.35Å; V35-R38 PolarHBondContact O-N 2.9Å; E36-R38 PolarHBondContact O-N 3.48Å; R38-A41 PolarHBondContact O-N 2.92Å; R38-M42 HydrophobicContact CG-SD 3.77Å; R38-M42 VanDerWaalsContact O-CG 3.24Å; R38-M42 WeakPolarHBondContact O-CG 3.23Å; R38-M42 PolarHBondContact O-N 3.08Å; R38-E204 IonicContact CZ-OE1 3.11Å; R38-E204 IonicContact CZ-OE2 3.92Å; R38-E204 IonicContact NE-OE1 2.71Å; R38-E204 IonicContact NH2-OE1 2.75Å; R38-E204 PolarHBondContact NH2-OE1 3.33Å; R38-E204 IonicContact NH2-OE2 3.14Å; R38-E204 PolarHBondContact NH2-OE2 3.06Å
39I93.1Very high90.7Very high12 Ų1268.6 Ų68.66%0.06234%0.342CS..Hα-helixtrans-64.6-45.2178.4-63.5166.8000110.9V35 E36 A41 M42 V43 V197 L200 A201V35-I39 HydrophobicContact CG1-CD1 4Å; V35-I39 HydrophobicContact CG1-CG1 4.47Å; V35-I39 VanDerWaalsContact O-CG1 3.31Å; V35-I39 WeakPolarHBondContact O-CG1 3.27Å; V35-I39 PolarHBondContact O-N 3.24Å; E36-I39 PolarHBondContact O-N 2.87Å; I39-A41 VanDerWaalsContact C-N 3.29Å; I39-A41 PolarHBondContact O-N 2.86Å; I39-M42 PolarHBondContact O-N 2.93Å; I39-V43 HydrophobicContact CG2-CG2 4.12Å; I39-V43 PolarHBondContact O-N 3.39Å; I39-V197 HydrophobicContact CD1-CB 4.42Å; I39-V197 HydrophobicContact CD1-CG1 3.79Å; I39-V197 WeakPolarHBondContact CD1-O 3.42Å; I39-L200 HydrophobicContact CD1-CB 4.42Å; I39-L200 HydrophobicContact CG2-CB 4.34Å; I39-L200 HydrophobicContact CG2-CD2 3.58Å; I39-L200 HydrophobicContact CG2-CG 3.78Å; I39-A201 HydrophobicContact CD1-CB 3.9Å; I39-A201 HydrophobicContact CG1-CB 4.22Å
40E93.2Very high91.9Very high109 Ų10968.6 Ų68.651%0.50933%0.333SS..Hα-helixtrans-54-48.9178.2-163.8166.7146.400109.5E36 Q37 M42 D44 K145E36-E40 WeakPolarHBondContact O-CB 3.47Å; E36-E40 PolarHBondContact O-N 2.89Å; Q37-E40 PolarHBondContact O-N 2.96Å; E40-M42 PolarHBondContact O-N 2.97Å; E40-D44 WeakPolarHBondContact O-CB 3.25Å; E40-D44 PolarHBondContact O-N 2.95Å; E40-D44 VanDerWaalsContact O-N 3.14Å; E40-K145 IonicContact OE2-NZ 2.72Å; E40-K145 PolarHBondContact OE2-NZ 2.92Å
41A95.2Very high92.7Very high57 Ų5764 Ų6447%0.47132%0.318SS..Hα-helixtrans-64.2-33.5175.400000114.7Q37 R38 I39 V45Q37-A41 PolarHBondContact O-N 3.27Å; R38-A41 PolarHBondContact O-N 2.92Å; I39-A41 VanDerWaalsContact C-N 3.29Å; I39-A41 PolarHBondContact O-N 2.86Å; A41-V45 WeakPolarHBondContact O-CG2 3.34Å; A41-V45 PolarHBondContact O-N 2.69Å
42M95Very high93.3Very high38 Ų3865 Ų6519%0.18732%0.317CS..Hα-helixtrans-71.1-49.4178.8-73.3164.365.100112.1R38 I39 E40 D44 V45 L46 E204 M207R38-M42 HydrophobicContact CG-SD 3.77Å; R38-M42 VanDerWaalsContact O-CG 3.24Å; R38-M42 WeakPolarHBondContact O-CG 3.23Å; R38-M42 PolarHBondContact O-N 3.08Å; I39-M42 PolarHBondContact O-N 2.93Å; E40-M42 PolarHBondContact O-N 2.97Å; M42-D44 VanDerWaalsContact C-N 3.27Å; M42-D44 PolarHBondContact O-N 3.37Å; M42-V45 WeakPolarHBondContact O-CB 3.46Å; M42-V45 PolarHBondContact O-N 3.37Å; M42-V45 VanDerWaalsContact O-N 3.12Å; M42-L46 PolarHBondContact O-N 3.47Å; M42-E204 HydrophobicContact CE-CB 3.82Å; M42-E204 HydrophobicContact CE-CG 3.64Å; M42-E204 WeakPolarHBondContact CE-OE1 3.45Å; M42-M207 HydrophobicContact CB-SD 4.43Å; M42-M207 HydrophobicContact CE-SD 3.77Å
43V95.5Very high93.6Very high1 Ų165.2 Ų65.21%0.00632%0.318CS..Hα-helixtrans-66.6-33.6-180-174.50000111I39 V45 L46 H47 F135 E138 L200 M207I39-V43 HydrophobicContact CG2-CG2 4.12Å; I39-V43 PolarHBondContact O-N 3.39Å; V43-V45 VanDerWaalsContact C-N 3.29Å; V43-V45 PolarHBondContact O-N 3.39Å; V43-L46 CarbonylContact O-C 3.39Å; V43-L46 WeakPolarHBondContact O-CA 3.37Å; V43-L46 WeakPolarHBondContact O-CB 3.3Å; V43-L46 PolarHBondContact O-N 3.46Å; V43-H47 PolarHBondContact O-CD2 3.22Å; V43-H47 PolarHBondContact O-N 2.9Å; V43-F135 HydrophobicContact CG1-CD1 3.63Å; V43-F135 HydrophobicContact CG1-CE1 3.9Å; V43-E138 HydrophobicContact CG1-CB 4.14Å; V43-E138 VanDerWaalsContact CG1-CD 3.48Å; V43-E138 HydrophobicContact CG1-CG 4.23Å; V43-E138 WeakPolarHBondContact CG1-OE1 3.45Å; V43-L200 HydrophobicContact CG2-CD2 4.11Å; V43-M207 HydrophobicContact CG2-CE 4.49Å
44D95.6Very high93.7Very high73 Ų7363.7 Ų63.739%0.3932%0.318SS..Hα-helixtrans-61.9-32.2173.6-170.240.7000112.7E40 M42 R48E40-D44 WeakPolarHBondContact O-CB 3.25Å; E40-D44 PolarHBondContact O-N 2.95Å; E40-D44 VanDerWaalsContact O-N 3.14Å; M42-D44 VanDerWaalsContact C-N 3.27Å; M42-D44 PolarHBondContact O-N 3.37Å; D44-R48 VanDerWaalsContact C-NH2 3.34Å; D44-R48 WeakPolarHBondContact O-CG 3.42Å; D44-R48 PolarHBondContact O-N 2.84Å; D44-R48 PolarHBondContact O-NE 2.71Å; D44-R48 PolarHBondContact O-NH2 2.87Å; D44-R48 IonicContact OD1-CZ 3.22Å; D44-R48 IonicContact OD1-NH1 2.62Å; D44-R48 PolarHBondContact OD1-NH1 2.93Å; D44-R48 IonicContact OD2-CZ 3.02Å; D44-R48 IonicContact OD2-NH1 2.63Å; D44-R48 PolarHBondContact OD2-NH1 3.18Å; D44-R48 IonicContact OD2-NH2 2.9Å; D44-R48 PolarHBondContact OD2-NH2 3.41Å
45V95.8Very high93.7Very high72 Ų7263 Ų6344%0.43632%0.317SS..Hα-helixtrans-68.6-39.4167.9171.10000111.8A41 M42 V43 R48 L49A41-V45 WeakPolarHBondContact O-CG2 3.34Å; A41-V45 PolarHBondContact O-N 2.69Å; M42-V45 WeakPolarHBondContact O-CB 3.46Å; M42-V45 PolarHBondContact O-N 3.37Å; M42-V45 VanDerWaalsContact O-N 3.12Å; V43-V45 VanDerWaalsContact C-N 3.29Å; V43-V45 PolarHBondContact O-N 3.39Å; V45-R48 PolarHBondContact O-N 2.72Å; V45-L49 WeakPolarHBondContact O-CB 3.35Å; V45-L49 PolarHBondContact O-N 3.23Å
46L96.6Very high93.4Very high6 Ų664.7 Ų64.73%0.03133%0.331CS..Hα-helixtrans-68.4-36.4178.9-59.9-177000112.7M42 V43 L49 K50 L131 F134 F135 M207 F211M42-L46 PolarHBondContact O-N 3.47Å; V43-L46 CarbonylContact O-C 3.39Å; V43-L46 WeakPolarHBondContact O-CA 3.37Å; V43-L46 WeakPolarHBondContact O-CB 3.3Å; V43-L46 PolarHBondContact O-N 3.46Å; L46-L49 PolarHBondContact O-N 3.48Å; L46-K50 WeakPolarHBondContact O-CB 3.42Å; L46-K50 PolarHBondContact O-N 2.87Å; L46-L131 HydrophobicContact CB-CD2 4.05Å; L46-L131 HydrophobicContact CD1-CD2 3.94Å; L46-L131 HydrophobicContact CD2-CD2 3.91Å; L46-L131 HydrophobicContact CG-CD2 4.17Å; L46-F134 HydrophobicContact CD1-CB 4.29Å; L46-F134 HydrophobicContact CD1-CD2 3.78Å; L46-F134 HydrophobicContact CD1-CE2 4.45Å; L46-F134 HydrophobicContact CD1-CG 4.19Å; L46-F135 HydrophobicContact CB-CE1 3.9Å; L46-F135 HydrophobicContact CB-CZ 4.04Å; L46-M207 HydrophobicContact CD1-CB 4.21Å; L46-M207 HydrophobicContact CD1-CG 3.87Å; L46-M207 HydrophobicContact CD1-SD 3.87Å; L46-F211 HydrophobicContact CD2-CE2 4.22Å
47H95.9Very high93.1Very high75 Ų7564.4 Ų64.435%0.34733%0.33SS..Hα-helixtrans-60.4-48.1170.6-80.9-62.8000111.4V43 L49 K50 S51 F135 E138V43-H47 PolarHBondContact O-CD2 3.22Å; V43-H47 PolarHBondContact O-N 2.9Å; H47-L49 VanDerWaalsContact C-N 3.35Å; H47-L49 PolarHBondContact O-N 2.9Å; H47-K50 PolarHBondContact O-N 2.97Å; H47-S51 WeakPolarHBondContact O-CB 3.47Å; H47-S51 PolarHBondContact O-N 3.38Å; H47-F135 HydrophobicContact CB-CE1 4.41Å; H47-F135 AromaticContact CD2-CD1 3.93Å; H47-F135 AromaticContact CD2-CE1 3.82Å; H47-F135 AromaticContact CE1-CD1 3.16Å; H47-F135 WeakPolarHBondContact CE1-CD1 3.49Å; H47-F135 AromaticContact CE1-CE1 3.52Å; H47-F135 AromaticContact CE1-CG 3.74Å; H47-F135 AromaticContact CG-CE1 3.64Å; H47-F135 AromaticContact ND1-CD1 3.63Å; H47-F135 AromaticContact ND1-CE1 3.46Å; H47-F135 WeakPolarHBondContact ND1-CE1 3.5Å; H47-F135 AromaticContact ND1-CZ 4Å; H47-F135 AromaticContact NE2-CD1 3.36Å; H47-F135 WeakPolarHBondContact NE2-CD1 3.22Å; H47-F135 AromaticContact NE2-CE1 3.74Å; H47-E138 IonicContact CD2-OE1 2.86Å; H47-E138 IonicContact CD2-OE2 3.81Å; H47-E138 IonicContact CE1-OE2 3.78Å; H47-E138 IonicContact NE2-OE1 3.7Å; H47-E138 PolarHBondContact NE2-OE1 3.33Å; H47-E138 IonicContact NE2-OE2 2.68Å; H47-E138 PolarHBondContact NE2-OE2 2.83Å
48R95.8Very high92.2Very high121 Ų12163.6 Ų63.646%0.45732%0.322SS..Hα-helixtrans-60.1-42.5175.6-76.9-176.2-76.1-88.63.1112.1D44 V45 S51 K52D44-R48 VanDerWaalsContact C-NH2 3.34Å; D44-R48 WeakPolarHBondContact O-CG 3.42Å; D44-R48 PolarHBondContact O-N 2.84Å; D44-R48 PolarHBondContact O-NE 2.71Å; D44-R48 PolarHBondContact O-NH2 2.87Å; D44-R48 IonicContact OD1-CZ 3.22Å; D44-R48 IonicContact OD1-NH1 2.62Å; D44-R48 PolarHBondContact OD1-NH1 2.93Å; D44-R48 IonicContact OD2-CZ 3.02Å; D44-R48 IonicContact OD2-NH1 2.63Å; D44-R48 PolarHBondContact OD2-NH1 3.18Å; D44-R48 IonicContact OD2-NH2 2.9Å; D44-R48 PolarHBondContact OD2-NH2 3.41Å; V45-R48 PolarHBondContact O-N 2.72Å; R48-S51 PolarHBondContact O-N 2.87Å; R48-K52 WeakPolarHBondContact O-CB 3.42Å; R48-K52 WeakPolarHBondContact O-CG 3.31Å; R48-K52 PolarHBondContact O-N 3.05Å
49L94.9Very high91Very high35 Ų3557.3 Ų57.318%0.18330%0.298CS..Hα-helixtrans-58.3-53.3175.3176.764.7000111V45 L46 H47 S51 K52 L53 F211V45-L49 WeakPolarHBondContact O-CB 3.35Å; V45-L49 PolarHBondContact O-N 3.23Å; L46-L49 PolarHBondContact O-N 3.48Å; H47-L49 VanDerWaalsContact C-N 3.35Å; H47-L49 PolarHBondContact O-N 2.9Å; L49-S51 PolarHBondContact O-N 3.48Å; L49-K52 PolarHBondContact O-N 3.27Å; L49-L53 WeakPolarHBondContact O-CB 3.29Å; L49-L53 PolarHBondContact O-N 3.21Å; L49-F211 HydrophobicContact CD1-CE1 4.37Å; L49-F211 HydrophobicContact CD2-CE1 3.82Å; L49-F211 HydrophobicContact CD2-CE2 4.33Å; L49-F211 HydrophobicContact CD2-CZ 3.72Å
50K94.9Very high89.8Confident64 Ų6467.1 Ų67.128%0.27833%0.334SS..Hα-helixtrans-59.4-44-179.6-176.9162.6179.6165.90112.3L46 H47 S54 F128 L131 F135L46-K50 WeakPolarHBondContact O-CB 3.42Å; L46-K50 PolarHBondContact O-N 2.87Å; H47-K50 PolarHBondContact O-N 2.97Å; K50-S54 VanDerWaalsContact O-CB 3.31Å; K50-S54 WeakPolarHBondContact O-CB 3.29Å; K50-S54 PolarHBondContact O-N 3.45Å; K50-S54 VanDerWaalsContact O-N 3.09Å; K50-F128 HydrophobicContact CB-CE1 4.47Å; K50-F128 HydrophobicContact CD-CD1 4.35Å; K50-F128 HydrophobicContact CD-CG 4.49Å; K50-F128 HydrophobicContact CG-CD1 3.89Å; K50-F128 HydrophobicContact CG-CE1 4.04Å; K50-F128 HydrophobicContact CG-CG 4.3Å; K50-F128 PolarHBondContact NZ-O 3.42Å; K50-L131 HydrophobicContact CB-CD1 4.16Å; K50-F135 HydrophobicContact CD-CE2 3.57Å; K50-F135 HydrophobicContact CD-CZ 4.17Å
51S93.2Very high88.3Confident56 Ų5662.3 Ų62.339%0.39231%0.313SS..Hα-helixtrans-60.7-53.9174.71680000111.9H47 R48 L49 L53 S54 D55H47-S51 WeakPolarHBondContact O-CB 3.47Å; H47-S51 PolarHBondContact O-N 3.38Å; R48-S51 PolarHBondContact O-N 2.87Å; L49-S51 PolarHBondContact O-N 3.48Å; S51-L53 VanDerWaalsContact C-N 3.35Å; S51-L53 PolarHBondContact O-N 2.8Å; S51-S54 PolarHBondContact O-N 2.91Å; S51-D55 VanDerWaalsContact O-CG 3.31Å; S51-D55 PolarHBondContact O-N 2.93Å
52K93.8Very high86.7Confident135 Ų13569.1 Ų69.159%0.58733%0.332SS*.Hα-helixtrans-72-28.2-173.7-65.6-68.3147-134.10113.5R48 L49 D55 S56R48-K52 WeakPolarHBondContact O-CB 3.42Å; R48-K52 WeakPolarHBondContact O-CG 3.31Å; R48-K52 PolarHBondContact O-N 3.05Å; L49-K52 PolarHBondContact O-N 3.27Å; K52-D55 IonicContact NZ-OD2 3.59Å; K52-D55 PolarHBondContact NZ-OD2 3.15Å; K52-S56 PolarHBondContact O-N 3.06Å
53L91.8Very high85.2Confident18 Ų1870.5 Ų70.59%0.09434%0.338CS..Hα-helixtrans-72.3-41.2173.6-168.351.3000110.7L49 S51 S56 F57 I123 V127 F128 L214L49-L53 WeakPolarHBondContact O-CB 3.29Å; L49-L53 PolarHBondContact O-N 3.21Å; S51-L53 VanDerWaalsContact C-N 3.35Å; S51-L53 PolarHBondContact O-N 2.8Å; L53-S56 WeakPolarHBondContact O-CB 3.35Å; L53-S56 PolarHBondContact O-N 2.95Å; L53-S56 VanDerWaalsContact O-N 3.16Å; L53-S56 PolarHBondContact O-OG 3.43Å; L53-F57 HydrophobicContact CD1-CE1 4.15Å; L53-F57 HydrophobicContact CG-CE1 4.2Å; L53-F57 HydrophobicContact CG-CZ 4.18Å; L53-F57 WeakPolarHBondContact O-CD1 3.5Å; L53-F57 WeakPolarHBondContact O-CE1 3.44Å; L53-I123 HydrophobicContact CD1-CG2 4.49Å; L53-I123 HydrophobicContact CD2-CG2 3.52Å; L53-I123 HydrophobicContact CG-CG2 3.91Å; L53-V127 HydrophobicContact CD2-CG1 4.23Å; L53-F128 HydrophobicContact CB-CE1 4.08Å; L53-F128 HydrophobicContact CB-CZ 4.2Å; L53-F128 HydrophobicContact CD2-CE1 3.99Å; L53-F128 HydrophobicContact CG-CE1 4.11Å; L53-F128 HydrophobicContact CG-CZ 4.23Å; L53-L214 HydrophobicContact CD1-CD1 4.44Å; L53-L214 HydrophobicContact CD2-CD1 3.85Å; L53-L214 HydrophobicContact CD2-CD2 3.91Å
54S89.7Confident83.7Confident61 Ų6177 Ų7743%0.42737%0.373SS..Hα-helixtrans-65.4-39.5172.7-171.40000112.9K50 S51 S56 F57K50-S54 VanDerWaalsContact O-CB 3.31Å; K50-S54 WeakPolarHBondContact O-CB 3.29Å; K50-S54 PolarHBondContact O-N 3.45Å; K50-S54 VanDerWaalsContact O-N 3.09Å; S51-S54 PolarHBondContact O-N 2.91Å; S54-S56 PolarHBondContact O-N 3.19Å; S54-F57 PolarHBondContact O-N 3.44Å
55D87.8Confident82.9Confident93 Ų9377.2 Ų77.250%0.49737%0.374SS..Hα-helixtrans-58.5-26.6172.6-74.4-25.8000112.8S51 K52S51-D55 VanDerWaalsContact O-CG 3.31Å; S51-D55 PolarHBondContact O-N 2.93Å; K52-D55 IonicContact NZ-OD2 3.59Å; K52-D55 PolarHBondContact NZ-OD2 3.15Å
56S86.2Confident82.1Confident72 Ų7277.3 Ų77.350%0.50337%0.372SS..Hα-helixtrans-81-19.4-176.481.50000114.1K52 L53 S54 R58K52-S56 PolarHBondContact O-N 3.06Å; L53-S56 WeakPolarHBondContact O-CB 3.35Å; L53-S56 PolarHBondContact O-N 2.95Å; L53-S56 VanDerWaalsContact O-N 3.16Å; L53-S56 PolarHBondContact O-OG 3.43Å; S54-S56 PolarHBondContact O-N 3.19Å; S56-R58 PolarHBondContact O-N 3.13Å
57F85.2Confident81.4Confident8 Ų880.4 Ų80.44%0.03539%0.386CS..  trans-71.6126.4-176.6-61.7-18.5000111.3L53 S54 R60 E120 I123 E124 F128L53-F57 HydrophobicContact CD1-CE1 4.15Å; L53-F57 HydrophobicContact CG-CE1 4.2Å; L53-F57 HydrophobicContact CG-CZ 4.18Å; L53-F57 WeakPolarHBondContact O-CD1 3.5Å; L53-F57 WeakPolarHBondContact O-CE1 3.44Å; S54-F57 PolarHBondContact O-N 3.44Å; F57-R60 VanDerWaalsContact O-CG 3.31Å; F57-R60 WeakPolarHBondContact O-CG 3.33Å; F57-E120 WeakPolarHBondContact CA-OE1 3.04Å; F57-E120 HydrophobicContact CB-CG 4.23Å; F57-E120 HydrophobicContact CD1-CB 4.35Å; F57-E120 HydrophobicContact CD1-CG 3.82Å; F57-E120 HydrophobicContact CE1-CG 4.38Å; F57-E120 HydrophobicContact CG-CB 4.35Å; F57-E120 HydrophobicContact CG-CG 4.02Å; F57-I123 HydrophobicContact CE1-CB 4.45Å; F57-I123 HydrophobicContact CE1-CD1 4.24Å; F57-I123 HydrophobicContact CE1-CG2 4.29Å; F57-I123 HydrophobicContact CZ-CB 3.92Å; F57-I123 HydrophobicContact CZ-CG2 3.65Å; F57-E124 HydrophobicContact CD2-CG 4.3Å; F57-E124 HydrophobicContact CE2-CG 3.6Å; F57-E124 HydrophobicContact CZ-CG 4.45Å; F57-F128 AromaticContact CE2-CE2 3.69Å; F57-F128 HydrophobicContact CE2-CE2 3.69Å; F57-F128 AromaticContact CE2-CZ 3.81Å; F57-F128 HydrophobicContact CE2-CZ 3.81Å; F57-F128 HydrophobicContact CZ-CE2 4.21Å; F57-F128 AromaticContact CZ-CZ 3.94Å; F57-F128 HydrophobicContact CZ-CZ 3.94Å
58R73.8Confident80.9Confident96 Ų9681.5 Ų81.536%0.36239%0.39SS..SBendtrans-77.9-33-176.1-71.4172.5160.4-88.728.1111.5S56 R60 L73 D74 E75 E120S56-R58 PolarHBondContact O-N 3.13Å; R58-R60 PolarHBondContact O-N 2.81Å; R58-L73 HydrophobicContact CB-CD2 3.56Å; R58-D74 IonicContact CZ-OD2 3.56Å; R58-D74 IonicContact NH1-OD2 2.68Å; R58-D74 PolarHBondContact NH1-OD2 3.43Å; R58-D74 IonicContact NH2-OD2 3.35Å; R58-E75 IonicContact CZ-OE1 2.84Å; R58-E75 IonicContact NH2-OE1 2.87Å; R58-E75 PolarHBondContact NH2-OE1 3.36Å; R58-E120 PolarHBondContact N-OE1 3.28Å
59S68.3Low80.5Confident1 Ų175.9 Ų75.91%0.00737%0.368CS..SBendtrans-66-26.9178.468.30000113.4S61 K72 E120S59-S61 WeakPolarHBondContact O-CB 3.48Å; S59-S61 PolarHBondContact O-N 2.92Å; S59-S61 VanDerWaalsContact O-N 3.1Å; S59-K72 WeakPolarHBondContact O-CD 3.39Å; S59-E120 WeakPolarHBondContact CB-OE2 3.47Å; S59-E120 PolarHBondContact N-OE1 3.45Å; S59-E120 PolarHBondContact N-OE2 2.81Å; S59-E120 PolarHBondContact OG-OE2 3.42Å
60R67.4Low80Confident218 Ų21876.6 Ų76.682%0.82337%0.369SS*.  trans47.636.6179.3-64.3-175.3169.5-170-3.7114F57 R58F57-R60 VanDerWaalsContact O-CG 3.31Å; F57-R60 WeakPolarHBondContact O-CG 3.33Å; R58-R60 PolarHBondContact O-N 2.81Å
61S61.8Low79.7Confident9 Ų978.6 Ų78.66%0.06338%0.377CS..  trans-141.9109-161.9-170.20000112.5S59 E63 R69 K72S59-S61 WeakPolarHBondContact O-CB 3.48Å; S59-S61 PolarHBondContact O-N 2.92Å; S59-S61 VanDerWaalsContact O-N 3.1Å; S61-E63 PolarHBondContact O-N 3.44Å; S61-E63 WeakPolarHBondContact OG-CB 3.27Å; S61-E63 WeakPolarHBondContact OG-CG 3.25Å; S61-E63 PolarHBondContact OG-OE1 3.36Å; S61-R69 PolarHBondContact O-NE 3.46Å; S61-R69 PolarHBondContact O-NH2 2.87Å; S61-K72 PolarHBondContact OG-NZ 3.29Å
62K61.2Low79.4Confident200 Ų20080.5 Ų80.587%0.8738%0.379SS*.  trans-72.141.2168.2-57.5-174.8179.3-175.10112.5
63E63.8Low79Confident66 Ų6674.2 Ų74.231%0.30835%0.351SS..  trans-116.8123.2178.3-62.8-176.4-101.400107.9S61 N65 K68 R69 K72S61-E63 PolarHBondContact O-N 3.44Å; S61-E63 WeakPolarHBondContact OG-CB 3.27Å; S61-E63 WeakPolarHBondContact OG-CG 3.25Å; S61-E63 PolarHBondContact OG-OE1 3.36Å; E63-N65 PolarHBondContact O-N 3.47Å; E63-K68 WeakPolarHBondContact OE2-CD 3.27Å; E63-K68 WeakPolarHBondContact OE2-CE 3.35Å; E63-K68 IonicContact OE2-NZ 3.12Å; E63-K68 PolarHBondContact OE2-NZ 2.97Å; E63-R69 PolarHBondContact O-NE 3.08Å; E63-K72 IonicContact OE1-NZ 3.19Å; E63-K72 PolarHBondContact OE1-NZ 3.24Å
64D64.9Low78.8Confident139 Ų13978.7 Ų78.774%0.74338%0.376SS*.  trans-70.5-4.7-177.6-48.1-47.3000113.2L66D64-L66 PolarHBondContact O-N 3.37Å; D64-L66 VanDerWaalsContact O-N 3.11Å
65N78.1Confident78.8Confident77 Ų7778.5 Ų78.541%0.41237%0.368SS..  trans-75.7100.1-178.6-170.9-72.4000111.4E63 E67 K68 R69E63-N65 PolarHBondContact O-N 3.47Å; N65-E67 PolarHBondContact O-N 2.98Å; N65-E67 WeakPolarHBondContact OD1-CB 3.3Å; N65-E67 PolarHBondContact OD1-N 2.95Å; N65-K68 HydrophobicContact CB-CB 4.29Å; N65-K68 HydrophobicContact CB-CD 4.13Å; N65-K68 HydrophobicContact CB-CG 4.21Å; N65-K68 PolarHBondContact O-N 3.37Å; N65-K68 VanDerWaalsContact O-N 3.11Å; N65-K68 WeakPolarHBondContact OD1-CG 3.45Å; N65-K68 PolarHBondContact OD1-N 2.92Å; N65-R69 PolarHBondContact O-N 3.21Å
66L79.4Confident79.1Confident74 Ų7475.9 Ų75.939%0.38735%0.351SS..Hα-helixtrans-47.7-43.3177.8-63.4173.9000113.3D64 R69 R70 V117 I121D64-L66 PolarHBondContact O-N 3.37Å; D64-L66 VanDerWaalsContact O-N 3.11Å; L66-R69 PolarHBondContact O-N 2.79Å; L66-R70 WeakPolarHBondContact O-CB 3.24Å; L66-R70 PolarHBondContact O-N 3.25Å; L66-V117 HydrophobicContact CD2-CG1 3.68Å; L66-I121 HydrophobicContact CD2-CD1 3.47Å; L66-I121 VanDerWaalsContact CD2-CD1 3.47Å
67E82.1Confident79.4Confident71 Ų7177.4 Ų77.433%0.33235%0.354SS..Hα-helixtrans-62.4-44.1-178.8-179.462.5-148.200111.8N65 R70 K71N65-E67 PolarHBondContact O-N 2.98Å; N65-E67 WeakPolarHBondContact OD1-CB 3.3Å; N65-E67 PolarHBondContact OD1-N 2.95Å; E67-R70 VanDerWaalsContact CD-NH2 3.27Å; E67-R70 IonicContact OE1-CZ 3.77Å; E67-R70 IonicContact OE1-NH2 2.83Å; E67-R70 PolarHBondContact OE1-NH2 3.05Å; E67-R70 VanDerWaalsContact OE1-NH2 3.11Å; E67-R70 IonicContact OE2-CZ 3.84Å; E67-R70 IonicContact OE2-NH1 3.85Å; E67-R70 PolarHBondContact OE2-NH1 3.14Å; E67-R70 IonicContact OE2-NH2 3.17Å; E67-R70 PolarHBondContact OE2-NH2 3.33Å; E67-K71 HydrophobicContact CG-CD 4.42Å; E67-K71 WeakPolarHBondContact O-CG 3.4Å; E67-K71 PolarHBondContact O-N 2.69Å; E67-K71 VanDerWaalsContact O-N 3.11Å; E67-K71 WeakPolarHBondContact OE1-CE 3.43Å; E67-K71 IonicContact OE1-NZ 2.81Å; E67-K71 PolarHBondContact OE1-NZ 2.88Å
68K84.8Confident79.8Confident98 Ų9880.2 Ų80.243%0.42637%0.369SS..Hα-helixtrans-69.2-38.4175.4-67.8-176.8-167-1760112.8E63 N65 K72E63-K68 WeakPolarHBondContact OE2-CD 3.27Å; E63-K68 WeakPolarHBondContact OE2-CE 3.35Å; E63-K68 IonicContact OE2-NZ 3.12Å; E63-K68 PolarHBondContact OE2-NZ 2.97Å; N65-K68 HydrophobicContact CB-CB 4.29Å; N65-K68 HydrophobicContact CB-CD 4.13Å; N65-K68 HydrophobicContact CB-CG 4.21Å; N65-K68 PolarHBondContact O-N 3.37Å; N65-K68 VanDerWaalsContact O-N 3.11Å; N65-K68 WeakPolarHBondContact OD1-CG 3.45Å; N65-K68 PolarHBondContact OD1-N 2.92Å; K68-K72 WeakPolarHBondContact O-CG 3.41Å
69R86.7Confident80.9Confident2 Ų275.7 Ų75.71%0.00835%0.352CS..Hα-helixtrans-63.4-45.3174.2-70.7-164.1-172.2-147.19.6110.7S61 E63 N65 L66 K71 K72 V117 E124S61-R69 PolarHBondContact O-NE 3.46Å; S61-R69 PolarHBondContact O-NH2 2.87Å; E63-R69 PolarHBondContact O-NE 3.08Å; N65-R69 PolarHBondContact O-N 3.21Å; L66-R69 PolarHBondContact O-N 2.79Å; R69-K71 VanDerWaalsContact C-N 3.34Å; R69-K71 PolarHBondContact O-N 2.99Å; R69-K72 PolarHBondContact O-N 2.85Å; R69-K72 VanDerWaalsContact O-N 3.11Å; R69-V117 HydrophobicContact CB-CG1 3.6Å; R69-V117 HydrophobicContact CB-CG2 4.07Å; R69-V117 HydrophobicContact CG-CG1 4.33Å; R69-E124 IonicContact CZ-OE2 2.66Å; R69-E124 IonicContact NH1-OE1 2.63Å; R69-E124 IonicContact NH1-OE2 3.58Å; R69-E124 PolarHBondContact NH1-OE2 3.38Å; R69-E124 IonicContact NH2-OE2 2.82Å; R69-E124 PolarHBondContact NH2-OE2 2.88Å
70R85.8Confident82.2Confident51 Ų5177.5 Ų77.519%0.19236%0.363CS..Hα-helixtrans-58.3-43.2178-159.617673.2-100.1-3.6112.1L66 E67 K72 L73 Y76 M113 V117L66-R70 WeakPolarHBondContact O-CB 3.24Å; L66-R70 PolarHBondContact O-N 3.25Å; E67-R70 VanDerWaalsContact CD-NH2 3.27Å; E67-R70 IonicContact OE1-CZ 3.77Å; E67-R70 IonicContact OE1-NH2 2.83Å; E67-R70 PolarHBondContact OE1-NH2 3.05Å; E67-R70 VanDerWaalsContact OE1-NH2 3.11Å; E67-R70 IonicContact OE2-CZ 3.84Å; E67-R70 IonicContact OE2-NH1 3.85Å; E67-R70 PolarHBondContact OE2-NH1 3.14Å; E67-R70 IonicContact OE2-NH2 3.17Å; E67-R70 PolarHBondContact OE2-NH2 3.33Å; R70-K72 PolarHBondContact O-N 3.07Å; R70-L73 HydrophobicContact CG-CD1 4.5Å; R70-L73 WeakPolarHBondContact O-CB 3.28Å; R70-L73 WeakPolarHBondContact O-CG 3.47Å; R70-L73 PolarHBondContact O-N 3.03Å; R70-Y76 HydrophobicContact CG-CD2 4.12Å; R70-Y76 WeakPolarHBondContact O-CB 3.35Å; R70-M113 HydrophobicContact CG-CB 3.9Å; R70-M113 HydrophobicContact CG-SD 4.22Å; R70-V117 HydrophobicContact CB-CG2 4.39Å
71K87.9Confident83.5Confident105 Ų10569.6 Ų69.646%0.45734%0.339SS..THydrogen-bonded Turntrans-64.3-13.5177.4-83.9164.3167.7151.10115.6E67 R69 Y76E67-K71 HydrophobicContact CG-CD 4.42Å; E67-K71 WeakPolarHBondContact O-CG 3.4Å; E67-K71 PolarHBondContact O-N 2.69Å; E67-K71 VanDerWaalsContact O-N 3.11Å; E67-K71 WeakPolarHBondContact OE1-CE 3.43Å; E67-K71 IonicContact OE1-NZ 2.81Å; E67-K71 PolarHBondContact OE1-NZ 2.88Å; R69-K71 VanDerWaalsContact C-N 3.34Å; R69-K71 PolarHBondContact O-N 2.99Å; K71-Y76 WeakPolarHBondContact CE-OH 3.43Å; K71-Y76 HydrophobicContact CG-CD1 4.2Å; K71-Y76 HydrophobicContact CG-CD2 4.28Å; K71-Y76 HydrophobicContact CG-CE1 3.72Å; K71-Y76 HydrophobicContact CG-CE2 3.78Å; K71-Y76 HydrophobicContact CG-CG 4.48Å; K71-Y76 VanDerWaalsContact CG-CZ 3.49Å
72K86.5Confident85.2Confident97 Ų9770.6 Ų70.642%0.42234%0.343SS..THydrogen-bonded Turntrans-93.4-0.2177.4-66172.8-169.9178.10113.1S59 S61 E63 K68 R69 R70S59-K72 WeakPolarHBondContact O-CD 3.39Å; S61-K72 PolarHBondContact OG-NZ 3.29Å; E63-K72 IonicContact OE1-NZ 3.19Å; E63-K72 PolarHBondContact OE1-NZ 3.24Å; K68-K72 WeakPolarHBondContact O-CG 3.41Å; R69-K72 PolarHBondContact O-N 2.85Å; R69-K72 VanDerWaalsContact O-N 3.11Å; R70-K72 PolarHBondContact O-N 3.07Å
73L87.1Confident86.7Confident2 Ų263.5 Ų63.51%0.0131%0.313CS..SBendtrans-86.5145.3179-57.1177.1000112.2R58 R70 E75 Y76 M113 M116 V117R58-L73 HydrophobicContact CB-CD2 3.56Å; R70-L73 HydrophobicContact CG-CD1 4.5Å; R70-L73 WeakPolarHBondContact O-CB 3.28Å; R70-L73 WeakPolarHBondContact O-CG 3.47Å; R70-L73 PolarHBondContact O-N 3.03Å; L73-E75 PolarHBondContact O-N 2.95Å; L73-Y76 WeakPolarHBondContact O-CB 3.44Å; L73-Y76 PolarHBondContact O-N 3.03Å; L73-M113 HydrophobicContact CB-SD 4.47Å; L73-M113 HydrophobicContact CD1-CB 3.88Å; L73-M113 HydrophobicContact CD1-CG 3.79Å; L73-M113 HydrophobicContact CD1-SD 4.17Å; L73-M116 HydrophobicContact CD1-CE 3.59Å; L73-M116 HydrophobicContact CD2-CE 3.76Å; L73-M116 HydrophobicContact CG-CE 4.19Å; L73-V117 HydrophobicContact CD1-CG2 3.98Å
74D85.7Confident88.2Confident113 Ų11364 Ų6460%0.60432%0.317SS*.Hα-helixtrans-59.8-39.5177.2-65.3-40.8000111R58 Y76R58-D74 IonicContact CZ-OD2 3.56Å; R58-D74 IonicContact NH1-OD2 2.68Å; R58-D74 PolarHBondContact NH1-OD2 3.43Å; R58-D74 IonicContact NH2-OD2 3.35Å; D74-Y76 VanDerWaalsContact C-N 3.25Å; D74-Y76 PolarHBondContact O-N 2.73Å
75E90.4Very high89.6Confident57 Ų5760 Ų6027%0.26630%0.296SS..Hα-helixtrans-68.7-20.4-175.7-61.277.5-169.900113R58 L73 L78 A79 M113R58-E75 IonicContact CZ-OE1 2.84Å; R58-E75 IonicContact NH2-OE1 2.87Å; R58-E75 PolarHBondContact NH2-OE1 3.36Å; L73-E75 PolarHBondContact O-N 2.95Å; E75-L78 PolarHBondContact O-N 3.29Å; E75-A79 PolarHBondContact O-N 3.37Å; E75-A79 VanDerWaalsContact O-N 3.15Å; E75-M113 HydrophobicContact CB-CE 4.05Å; E75-M113 HydrophobicContact CB-CG 4.15Å; E75-M113 HydrophobicContact CB-SD 3.92Å; E75-M113 VanDerWaalsContact O-CE 3.29Å; E75-M113 WeakPolarHBondContact O-CE 3.37Å
76Y93.4Very high90.3Very high38 Ų3856.4 Ų56.415%0.14928%0.277CS..Hα-helixtrans-63.4-46.3-177.4178.1-93.8000112.3R70 K71 L73 D74 L78 A79 V80 F110 M113R70-Y76 HydrophobicContact CG-CD2 4.12Å; R70-Y76 WeakPolarHBondContact O-CB 3.35Å; K71-Y76 WeakPolarHBondContact CE-OH 3.43Å; K71-Y76 HydrophobicContact CG-CD1 4.2Å; K71-Y76 HydrophobicContact CG-CD2 4.28Å; K71-Y76 HydrophobicContact CG-CE1 3.72Å; K71-Y76 HydrophobicContact CG-CE2 3.78Å; K71-Y76 HydrophobicContact CG-CG 4.48Å; K71-Y76 VanDerWaalsContact CG-CZ 3.49Å; L73-Y76 WeakPolarHBondContact O-CB 3.44Å; L73-Y76 PolarHBondContact O-N 3.03Å; D74-Y76 VanDerWaalsContact C-N 3.25Å; D74-Y76 PolarHBondContact O-N 2.73Å; Y76-L78 VanDerWaalsContact C-N 3.3Å; Y76-L78 PolarHBondContact O-N 3.06Å; Y76-A79 PolarHBondContact O-N 3.12Å; Y76-V80 HydrophobicContact CD1-CG2 4.15Å; Y76-V80 HydrophobicContact CE1-CG2 3.61Å; Y76-V80 HydrophobicContact CE2-CG2 4.07Å; Y76-V80 WeakPolarHBondContact O-CG2 3.33Å; Y76-V80 PolarHBondContact O-N 3.33Å; Y76-F110 HydrophobicContact CD2-CE1 4.04Å; Y76-F110 HydrophobicContact CE2-CE1 4.04Å; Y76-M113 VanDerWaalsContact CA-SD 3.52Å; Y76-M113 PolarHBondContact N-SD 3.35Å; Y76-M113 VanDerWaalsContact N-SD 3.43Å
77N92.5Very high90.8Very high103 Ų10360.6 Ų60.655%0.55129%0.287SS*.Hα-helixtrans-64.8-36.8-179.5-65.2-56000111.4V80 T81N77-V80 PolarHBondContact O-N 3.28Å; N77-T81 WeakPolarHBondContact O-CB 3.3Å; N77-T81 PolarHBondContact O-N 2.99Å; N77-T81 PolarHBondContact O-OG1 3.02Å
78L94.8Very high91.2Very high68 Ų6862.9 Ų62.936%0.35630%0.298SS..Hα-helixtrans-61.4-49.2175.3176.362.3000111.4E75 Y76 T81 L82 L109E75-L78 PolarHBondContact O-N 3.29Å; Y76-L78 VanDerWaalsContact C-N 3.3Å; Y76-L78 PolarHBondContact O-N 3.06Å; L78-T81 PolarHBondContact O-N 2.99Å; L78-L82 HydrophobicContact CD1-CD1 3.82Å; L78-L82 HydrophobicContact CD1-CG 4.1Å; L78-L82 HydrophobicContact CG-CD1 3.88Å; L78-L82 WeakPolarHBondContact O-CB 3.49Å; L78-L82 VanDerWaalsContact O-CG 3.25Å; L78-L82 WeakPolarHBondContact O-CG 3.32Å; L78-L82 PolarHBondContact O-N 3.22Å; L78-L109 HydrophobicContact CD2-CD1 4.18Å; L78-L109 HydrophobicContact CG-CD1 4.24Å
79A95.7Very high91.4Very high0 Ų060.5 Ų60.50%029%0.29CS..Hα-helixtrans-64.4-40.8179.600000112.3E75 Y76 L82 F83 L109 F110 M113E75-A79 PolarHBondContact O-N 3.37Å; E75-A79 VanDerWaalsContact O-N 3.15Å; Y76-A79 PolarHBondContact O-N 3.12Å; A79-L82 PolarHBondContact O-N 3.16Å; A79-F83 VanDerWaalsContact O-CB 3.31Å; A79-F83 WeakPolarHBondContact O-CB 3.43Å; A79-F83 PolarHBondContact O-N 3.29Å; A79-L109 HydrophobicContact CB-CB 3.89Å; A79-L109 HydrophobicContact CB-CD1 4.18Å; A79-F110 HydrophobicContact CB-CD1 3.97Å; A79-F110 HydrophobicContact CB-CD2 4.32Å; A79-F110 HydrophobicContact CB-CE1 3.55Å; A79-F110 HydrophobicContact CB-CE2 3.93Å; A79-F110 HydrophobicContact CB-CG 4.34Å; A79-F110 HydrophobicContact CB-CZ 3.53Å; A79-M113 HydrophobicContact CB-CE 3.56Å
80V95.8Very high91.1Very high40 Ų4065 Ų6524%0.24231%0.314CS..Hα-helixtrans-64-44176.3172.30000111.9Y76 N77 F83 N84 F110Y76-V80 HydrophobicContact CD1-CG2 4.15Å; Y76-V80 HydrophobicContact CE1-CG2 3.61Å; Y76-V80 HydrophobicContact CE2-CG2 4.07Å; Y76-V80 WeakPolarHBondContact O-CG2 3.33Å; Y76-V80 PolarHBondContact O-N 3.33Å; N77-V80 PolarHBondContact O-N 3.28Å; V80-F83 PolarHBondContact O-N 3.39Å; V80-N84 WeakPolarHBondContact O-CB 3.44Å; V80-N84 VanDerWaalsContact O-CG 3.26Å; V80-N84 PolarHBondContact O-N 3.03Å; V80-N84 PolarHBondContact O-ND2 3.44Å; V80-F110 HydrophobicContact CG2-CE1 4.13Å; V80-F110 HydrophobicContact CG2-CZ 3.82Å
81T96.2Very high90.7Very high51 Ų5168.5 Ų68.531%0.31334%0.341SS..Hα-helixtrans-60.7-51.6174.9-68.30000111.1N77 L78 F83 N84 D85 F715N77-T81 WeakPolarHBondContact O-CB 3.3Å; N77-T81 PolarHBondContact O-N 2.99Å; N77-T81 PolarHBondContact O-OG1 3.02Å; L78-T81 PolarHBondContact O-N 2.99Å; T81-F83 VanDerWaalsContact C-N 3.29Å; T81-F83 PolarHBondContact O-N 3.47Å; T81-N84 PolarHBondContact O-N 2.87Å; T81-D85 VanDerWaalsContact CG2-OD2 3.3Å; T81-D85 WeakPolarHBondContact CG2-OD2 3.08Å; T81-D85 WeakPolarHBondContact O-CB 3.27Å; T81-D85 PolarHBondContact O-N 3.43Å; T81-F715 HydrophobicContact CG2-CE2 4.45Å
82L96Very high90.1Very high31 Ų3167.9 Ų67.916%0.16235%0.346CS..Hα-helixtrans-58.8-39.5179.7-69.4169.3000112.7L78 A79 S86 M102 Y105 A106 L109L78-L82 HydrophobicContact CD1-CD1 3.82Å; L78-L82 HydrophobicContact CD1-CG 4.1Å; L78-L82 HydrophobicContact CG-CD1 3.88Å; L78-L82 WeakPolarHBondContact O-CB 3.49Å; L78-L82 VanDerWaalsContact O-CG 3.25Å; L78-L82 WeakPolarHBondContact O-CG 3.32Å; L78-L82 PolarHBondContact O-N 3.22Å; A79-L82 PolarHBondContact O-N 3.16Å; L82-S86 WeakPolarHBondContact O-CB 2.94Å; L82-S86 PolarHBondContact O-N 3.3Å; L82-M102 HydrophobicContact CD2-CE 3.98Å; L82-M102 WeakPolarHBondContact O-CE 3.49Å; L82-Y105 HydrophobicContact CD1-CD1 3.79Å; L82-Y105 HydrophobicContact CD1-CE1 3.88Å; L82-A106 HydrophobicContact CB-CB 3.98Å; L82-L109 HydrophobicContact CD1-CD1 4.11Å
83F94.2Very high89.3Confident51 Ų5166.3 Ų66.322%0.22435%0.345CS..Hα-helixtrans-67.6-47177.1-171-96.9000112A79 V80 T81 D85 S86 R87 A106A79-F83 VanDerWaalsContact O-CB 3.31Å; A79-F83 WeakPolarHBondContact O-CB 3.43Å; A79-F83 PolarHBondContact O-N 3.29Å; V80-F83 PolarHBondContact O-N 3.39Å; T81-F83 VanDerWaalsContact C-N 3.29Å; T81-F83 PolarHBondContact O-N 3.47Å; F83-D85 PolarHBondContact O-N 2.99Å; F83-S86 PolarHBondContact O-N 3.42Å; F83-S86 PolarHBondContact O-OG 3.45Å; F83-R87 PolarHBondContact O-N 2.85Å; F83-R87 VanDerWaalsContact O-N 3.09Å; F83-A106 HydrophobicContact CB-CB 4.03Å
84N94.3Very high88.3Confident76 Ų7674.4 Ų74.441%0.40639%0.388SS..Hα-helixtrans-66.4-37.6178.8-71.2-18.9000112.5V80 T81 R87 Q88V80-N84 WeakPolarHBondContact O-CB 3.44Å; V80-N84 VanDerWaalsContact O-CG 3.26Å; V80-N84 PolarHBondContact O-N 3.03Å; V80-N84 PolarHBondContact O-ND2 3.44Å; T81-N84 PolarHBondContact O-N 2.87Å; N84-R87 PolarHBondContact O-N 2.82Å; N84-Q88 WeakPolarHBondContact O-CG 3.41Å; N84-Q88 PolarHBondContact O-N 3.38Å; N84-Q88 VanDerWaalsContact O-N 3.1Å; N84-Q88 PolarHBondContact O-NE2 3.47Å
85D94.3Very high87.5Confident55 Ų5572.3 Ų72.329%0.29438%0.38SS..Hα-helixtrans-69.7-36.5176.6-67.7-10.4000110.9T81 F83 Q88 L89 M102T81-D85 VanDerWaalsContact CG2-OD2 3.3Å; T81-D85 WeakPolarHBondContact CG2-OD2 3.08Å; T81-D85 WeakPolarHBondContact O-CB 3.27Å; T81-D85 PolarHBondContact O-N 3.43Å; F83-D85 PolarHBondContact O-N 2.99Å; D85-Q88 PolarHBondContact O-N 3.37Å; D85-Q88 PolarHBondContact OD1-NE2 3.06Å; D85-L89 WeakPolarHBondContact O-CG 3.31Å; D85-L89 PolarHBondContact O-N 3.48Å; D85-M102 HydrophobicContact CB-CE 3.59Å
86S92.8Very high87.2Confident2 Ų271.7 Ų71.71%0.01438%0.378CS..Hα-helixtrans-61.1-44.1171.576.10000112.2L82 F83 Q88 L89 N90 S99L82-S86 WeakPolarHBondContact O-CB 2.94Å; L82-S86 PolarHBondContact O-N 3.3Å; F83-S86 PolarHBondContact O-N 3.42Å; F83-S86 PolarHBondContact O-OG 3.45Å; S86-Q88 VanDerWaalsContact C-N 3.32Å; S86-Q88 PolarHBondContact O-N 3.03Å; S86-L89 PolarHBondContact O-N 3.06Å; S86-L89 VanDerWaalsContact O-N 3.14Å; S86-N90 PolarHBondContact O-N 2.88Å; S86-S99 WeakPolarHBondContact CB-O 3.23Å; S86-S99 PolarHBondContact O-OG 2.92Å
87R90.3Very high87.1Confident161 Ų16171.9 Ų71.961%0.60838%0.382SS*.Hα-helixtrans-61.3-37.2175.5-79.2-176.8158.7-165.7-7.2112.9F83 N84F83-R87 PolarHBondContact O-N 2.85Å; F83-R87 VanDerWaalsContact O-N 3.09Å; N84-R87 PolarHBondContact O-N 2.82Å
88Q89.7Confident87Confident119 Ų11971.8 Ų71.856%0.55638%0.381SS*.Hα-helixtrans-70.1-33.3174.4-72.5166.38900113N84 D85 S86 T91N84-Q88 WeakPolarHBondContact O-CG 3.41Å; N84-Q88 PolarHBondContact O-N 3.38Å; N84-Q88 VanDerWaalsContact O-N 3.1Å; N84-Q88 PolarHBondContact O-NE2 3.47Å; D85-Q88 PolarHBondContact O-N 3.37Å; D85-Q88 PolarHBondContact OD1-NE2 3.06Å; S86-Q88 VanDerWaalsContact C-N 3.32Å; S86-Q88 PolarHBondContact O-N 3.03Å; Q88-T91 PolarHBondContact O-N 2.94Å; Q88-T91 PolarHBondContact O-OG1 3.22Å
89L88.5Confident86.9Confident49 Ų4968.6 Ų68.626%0.25736%0.364SS..Hα-helixtrans-69.5-37.7174.7-72.5170.8000111.9D85 S86 T91 T92 N96 L98 M102D85-L89 WeakPolarHBondContact O-CG 3.31Å; D85-L89 PolarHBondContact O-N 3.48Å; S86-L89 PolarHBondContact O-N 3.06Å; S86-L89 VanDerWaalsContact O-N 3.14Å; L89-T91 PolarHBondContact O-N 3.49Å; L89-T91 VanDerWaalsContact O-N 3.15Å; L89-T92 PolarHBondContact O-N 2.9Å; L89-T92 PolarHBondContact O-OG1 3.41Å; L89-N96 PolarHBondContact O-ND2 3.29Å; L89-L98 HydrophobicContact CD1-CB 4.49Å; L89-L98 HydrophobicContact CD1-CD2 3.93Å; L89-L98 HydrophobicContact CD1-CG 4.05Å; L89-M102 HydrophobicContact CD1-SD 4.02Å
90N80.7Confident86.8Confident96 Ų9670.7 Ų70.751%0.51338%0.378SS..Hα-helixtrans-58.7-24.4175.8-83.67.6000114S86 T92 S99S86-N90 PolarHBondContact O-N 2.88Å; N90-T92 VanDerWaalsContact C-N 3.27Å; N90-T92 PolarHBondContact O-N 2.68Å; N90-S99 VanDerWaalsContact CG-OG 3.32Å; N90-S99 WeakPolarHBondContact OD1-CB 3.48Å; N90-S99 PolarHBondContact OD1-OG 3.31Å
91T78.7Confident86.8Confident124 Ų12470.1 Ų70.176%0.76137%0.374SS*.THydrogen-bonded Turntrans-86.812.4177.560.80000113.7Q88 L89Q88-T91 PolarHBondContact O-N 2.94Å; Q88-T91 PolarHBondContact O-OG1 3.22Å; L89-T91 PolarHBondContact O-N 3.49Å; L89-T91 VanDerWaalsContact O-N 3.15Å
92T75.7Confident86.8Confident92 Ų9269.2 Ų69.256%0.56437%0.367SS*.THydrogen-bonded Turntrans-113.3-42.9-177.263.10000114.4L89 N90 N96L89-T92 PolarHBondContact O-N 2.9Å; L89-T92 PolarHBondContact O-OG1 3.41Å; N90-T92 VanDerWaalsContact C-N 3.27Å; N90-T92 PolarHBondContact O-N 2.68Å; T92-N96 PolarHBondContact OG1-ND2 3.48Å
93T69.7Low86.7Confident64 Ų6469.1 Ų69.139%0.39337%0.369SS..  trans-154.9147172.658.50000110.2T95 N96T93-T95 PolarHBondContact O-N 3.04Å; T93-N96 VanDerWaalsContact OG1-CG 3.28Å; T93-N96 PolarHBondContact OG1-ND2 3.01Å; T93-N96 VanDerWaalsContact OG1-ND2 3.12Å
94D65.1Low86.8Confident172 Ų17267.9 Ų67.992%0.9237%0.365SS*.THydrogen-bonded Turntrans-71.1-22.3179.2-44.7-78000112.4N96D94-N96 VanDerWaalsContact C-N 3.33Å; D94-N96 PolarHBondContact O-N 3.46Å
95T69.7Low87Confident70 Ų7069 Ų6943%0.42936%0.364SS..THydrogen-bonded Turntrans-87.911.1-175.955.80000114.6T93 L97 H243T93-T95 PolarHBondContact O-N 3.04Å; T95-L97 PolarHBondContact O-N 3.36Å; T95-H243 PolarHBondContact O-CE1 2.95Å
96N83.4Confident87.1Confident43 Ų4366.3 Ų66.323%0.2335%0.35CS..  trans-73.395.1-172.6-102.7-35.7000114L89 T92 T93 D94 L98 P100L89-N96 PolarHBondContact O-ND2 3.29Å; T92-N96 PolarHBondContact OG1-ND2 3.48Å; T93-N96 VanDerWaalsContact OG1-CG 3.28Å; T93-N96 PolarHBondContact OG1-ND2 3.01Å; T93-N96 VanDerWaalsContact OG1-ND2 3.12Å; D94-N96 VanDerWaalsContact C-N 3.33Å; D94-N96 PolarHBondContact O-N 3.46Å; N96-L98 VanDerWaalsContact C-N 3.29Å; N96-L98 PolarHBondContact O-N 3.19Å; N96-P100 WeakPolarHBondContact O-CD 3.43Å
97L90Very high87.3Confident43 Ų4369.7 Ų69.723%0.22537%0.368CS..THydrogen-bonded Turntrans-57.7-36.3173.3174.562.7000113.8T95 S99 P100 V101 R239 I240 H243T95-L97 PolarHBondContact O-N 3.36Å; L97-S99 VanDerWaalsContact C-N 3.34Å; L97-S99 PolarHBondContact O-N 2.82Å; L97-P100 WeakPolarHBondContact O-CD 3.46Å; L97-P100 WeakPolarHBondContact O-CG 3.11Å; L97-V101 HydrophobicContact CD1-CG2 4.1Å; L97-V101 HydrophobicContact CG-CG2 4.49Å; L97-V101 WeakPolarHBondContact O-CG2 3.02Å; L97-R239 HydrophobicContact CD1-CB 4.27Å; L97-I240 HydrophobicContact CD1-CG1 4.47Å; L97-I240 HydrophobicContact CD2-CG1 4.27Å; L97-H243 HydrophobicContact CD1-CB 4.19Å; L97-H243 HydrophobicContact CD2-CB 3.87Å; L97-H243 HydrophobicContact CG-CB 4.47Å
98L92.4Very high87.6Confident100 Ų10062.9 Ų62.952%0.52434%0.344SS..Hα-helixtrans-65.1-36.5-171.7178.859.3000112.6L89 N96 V101 M102L89-L98 HydrophobicContact CD1-CB 4.49Å; L89-L98 HydrophobicContact CD1-CD2 3.93Å; L89-L98 HydrophobicContact CD1-CG 4.05Å; N96-L98 VanDerWaalsContact C-N 3.29Å; N96-L98 PolarHBondContact O-N 3.19Å; L98-V101 PolarHBondContact O-N 3.38Å; L98-M102 HydrophobicContact CD1-CG 3.99Å; L98-M102 HydrophobicContact CD1-SD 3.85Å; L98-M102 HydrophobicContact CD2-SD 4.17Å; L98-M102 HydrophobicContact CG-CG 4.29Å; L98-M102 HydrophobicContact CG-SD 3.68Å; L98-M102 WeakPolarHBondContact O-CB 3.39Å; L98-M102 WeakPolarHBondContact O-CG 3.06Å; L98-M102 PolarHBondContact O-N 2.67Å
99S92.8Very high88Confident1 Ų158.1 Ų58.11%0.00732%0.323CS..Hα-helixtrans-64-57.7-177.41730000114.3S86 N90 L97 V101 M102 S103S86-S99 WeakPolarHBondContact CB-O 3.23Å; S86-S99 PolarHBondContact O-OG 2.92Å; N90-S99 VanDerWaalsContact CG-OG 3.32Å; N90-S99 WeakPolarHBondContact OD1-CB 3.48Å; N90-S99 PolarHBondContact OD1-OG 3.31Å; L97-S99 VanDerWaalsContact C-N 3.34Å; L97-S99 PolarHBondContact O-N 2.82Å; S99-V101 PolarHBondContact O-N 3.03Å; S99-M102 PolarHBondContact O-N 2.91Å; S99-M102 VanDerWaalsContact O-N 3.08Å; S99-S103 WeakPolarHBondContact O-CB 3.46Å; S99-S103 PolarHBondContact O-N 3.28Å
100P93Very high88.3Confident45 Ų4558 Ų5829%0.29232%0.32SS..Hα-helixtrans-63-27.4179.225.5-34.1000112N96 L97 T104N96-P100 WeakPolarHBondContact O-CD 3.43Å; L97-P100 WeakPolarHBondContact O-CD 3.46Å; L97-P100 WeakPolarHBondContact O-CG 3.11Å; P100-T104 VanDerWaalsContact O-CB 3.23Å; P100-T104 WeakPolarHBondContact O-CB 3.49Å; P100-T104 PolarHBondContact O-N 3.38Å; P100-T104 PolarHBondContact O-OG1 2.61Å
101V95.5Very high89Confident27 Ų2756.6 Ų56.616%0.16432%0.315CS..Hα-helixtrans-66.1-50170.8169.40000111.2L97 L98 S99 T104 Y105 V236L97-V101 HydrophobicContact CD1-CG2 4.1Å; L97-V101 HydrophobicContact CG-CG2 4.49Å; L97-V101 WeakPolarHBondContact O-CG2 3.02Å; L98-V101 PolarHBondContact O-N 3.38Å; S99-V101 PolarHBondContact O-N 3.03Å; V101-T104 PolarHBondContact O-N 2.69Å; V101-Y105 PolarHBondContact O-N 3.24Å; V101-V236 HydrophobicContact CG1-CG1 3.76Å; V101-V236 HydrophobicContact CG1-CG2 4.16Å; V101-V236 HydrophobicContact CG2-CG1 4.22Å
102M95.2Very high89.8Confident32 Ų3252.1 Ų52.116%0.15829%0.287CS..Hα-helixtrans-61.4-43.6176.2-76.4174.655.500112.4L82 D85 L89 L98 S99 Y105 A106L82-M102 HydrophobicContact CD2-CE 3.98Å; L82-M102 WeakPolarHBondContact O-CE 3.49Å; D85-M102 HydrophobicContact CB-CE 3.59Å; L89-M102 HydrophobicContact CD1-SD 4.02Å; L98-M102 HydrophobicContact CD1-CG 3.99Å; L98-M102 HydrophobicContact CD1-SD 3.85Å; L98-M102 HydrophobicContact CD2-SD 4.17Å; L98-M102 HydrophobicContact CG-CG 4.29Å; L98-M102 HydrophobicContact CG-SD 3.68Å; L98-M102 WeakPolarHBondContact O-CB 3.39Å; L98-M102 WeakPolarHBondContact O-CG 3.06Å; L98-M102 PolarHBondContact O-N 2.67Å; S99-M102 PolarHBondContact O-N 2.91Å; S99-M102 VanDerWaalsContact O-N 3.08Å; M102-Y105 PolarHBondContact O-N 3.46Å; M102-A106 WeakPolarHBondContact O-CB 3.5Å; M102-A106 PolarHBondContact O-N 3.31Å
103S94.9Very high90.7Very high29 Ų2947.9 Ų47.920%0.20326%0.261CS..Hα-helixtrans-63.7-46.4177.4-176.60000111.8S99 Y105 A106 N107S99-S103 WeakPolarHBondContact O-CB 3.46Å; S99-S103 PolarHBondContact O-N 3.28Å; S103-Y105 VanDerWaalsContact C-N 3.34Å; S103-Y105 PolarHBondContact O-N 2.88Å; S103-A106 PolarHBondContact O-N 2.7Å; S103-N107 WeakPolarHBondContact O-CB 3.19Å; S103-N107 PolarHBondContact O-N 3.42Å; S103-N107 PolarHBondContact O-ND2 3Å; S103-N107 VanDerWaalsContact O-ND2 3.13Å
104T96.5Very high91.8Very high25 Ų2546.5 Ų46.515%0.15325%0.252CS..Hα-helixtrans-57.3-47.2175.8-600000110.8P100 V101 N107 T108 V236 R239P100-T104 VanDerWaalsContact O-CB 3.23Å; P100-T104 WeakPolarHBondContact O-CB 3.49Å; P100-T104 PolarHBondContact O-N 3.38Å; P100-T104 PolarHBondContact O-OG1 2.61Å; V101-T104 PolarHBondContact O-N 2.69Å; T104-N107 PolarHBondContact O-N 3.27Å; T104-T108 PolarHBondContact O-N 2.56Å; T104-T108 PolarHBondContact O-OG1 3.4Å; T104-V236 HydrophobicContact CG2-CG2 4.21Å; T104-R239 PolarHBondContact OG1-NH1 2.92Å
105Y97.6Very high93.1Very high99 Ų9938.6 Ų38.639%0.38821%0.21SC..Hα-helixtrans-66.7-41.2179179.8-122.5000113L82 V101 M102 S103 N107 T108 L109L82-Y105 HydrophobicContact CD1-CD1 3.79Å; L82-Y105 HydrophobicContact CD1-CE1 3.88Å; V101-Y105 PolarHBondContact O-N 3.24Å; M102-Y105 PolarHBondContact O-N 3.46Å; S103-Y105 VanDerWaalsContact C-N 3.34Å; S103-Y105 PolarHBondContact O-N 2.88Å; Y105-N107 PolarHBondContact O-N 3.43Å; Y105-T108 PolarHBondContact O-N 3.13Å; Y105-L109 HydrophobicContact CD1-CD1 4.26Å; Y105-L109 HydrophobicContact CE1-CD1 3.79Å; Y105-L109 HydrophobicContact CE1-CG 4.32Å; Y105-L109 HydrophobicContact CE2-CD1 4.48Å; Y105-L109 HydrophobicContact CE2-CD2 4.16Å; Y105-L109 HydrophobicContact CE2-CG 4.13Å; Y105-L109 WeakPolarHBondContact O-CG 3.36Å; Y105-L109 PolarHBondContact O-N 3.03Å
106A96.8Very high94.2Very high0 Ų036.6 Ų36.60%020%0.196CC..Hα-helixtrans-61-42.3175.300000112.2L82 F83 M102 S103 L109 F110L82-A106 HydrophobicContact CB-CB 3.98Å; F83-A106 HydrophobicContact CB-CB 4.03Å; M102-A106 WeakPolarHBondContact O-CB 3.5Å; M102-A106 PolarHBondContact O-N 3.31Å; S103-A106 PolarHBondContact O-N 2.7Å; A106-L109 WeakPolarHBondContact O-CB 3.12Å; A106-L109 PolarHBondContact O-N 3.44Å; A106-F110 WeakPolarHBondContact O-CD2 3.25Å; A106-F110 PolarHBondContact O-N 2.81Å
107N96.9Very high94.7Very high72 Ų7234.7 Ų34.739%0.38519%0.186SC..Hα-helixtrans-63.6-43.1175.7-67.3-27.9000111.5S103 T104 Y105 L109 F110 V111S103-N107 WeakPolarHBondContact O-CB 3.19Å; S103-N107 PolarHBondContact O-N 3.42Å; S103-N107 PolarHBondContact O-ND2 3Å; S103-N107 VanDerWaalsContact O-ND2 3.13Å; T104-N107 PolarHBondContact O-N 3.27Å; Y105-N107 PolarHBondContact O-N 3.43Å; N107-L109 VanDerWaalsContact C-N 3.35Å; N107-L109 PolarHBondContact O-N 3.36Å; N107-F110 PolarHBondContact O-N 3.47Å; N107-V111 PolarHBondContact O-N 3.5Å; N107-V111 VanDerWaalsContact O-N 3.1Å
108T97.5Very high94.8Very high18 Ų1838.3 Ų38.311%0.1120%0.197CC..Hα-helixtrans-60.9-40.6172.7-63.90000112.3T104 Y105 F110 V111 V112 A228 L229 C232T104-T108 PolarHBondContact O-N 2.56Å; T104-T108 PolarHBondContact O-OG1 3.4Å; Y105-T108 PolarHBondContact O-N 3.13Å; T108-F110 VanDerWaalsContact C-N 3.32Å; T108-F110 PolarHBondContact O-N 2.94Å; T108-V111 PolarHBondContact O-N 3.03Å; T108-V111 VanDerWaalsContact O-N 3.17Å; T108-V112 HydrophobicContact CG2-CG2 4.44Å; T108-V112 WeakPolarHBondContact O-CG2 3.44Å; T108-V112 PolarHBondContact O-N 3.21Å; T108-A228 HydrophobicContact CG2-CB 4.25Å; T108-A228 WeakPolarHBondContact CG2-O 3.24Å; T108-L229 HydrophobicContact CG2-CD2 3.97Å; T108-L229 HydrophobicContact CG2-CG 4.48Å; T108-C232 HydrophobicContact CG2-CB 3.81Å; T108-C232 WeakPolarHBondContact OG1-CB 3.46Å; T108-C232 PolarHBondContact OG1-SG 3.19Å
109L96.5Very high94.8Very high20 Ų2034.9 Ų34.911%0.10518%0.178CC..Hα-helixtrans-59.9-40.8174.3-72.8176.6000111.8L78 A79 L82 Y105 A106 N107 V111 V112 M113L78-L109 HydrophobicContact CD2-CD1 4.18Å; L78-L109 HydrophobicContact CG-CD1 4.24Å; A79-L109 HydrophobicContact CB-CB 3.89Å; A79-L109 HydrophobicContact CB-CD1 4.18Å; L82-L109 HydrophobicContact CD1-CD1 4.11Å; Y105-L109 HydrophobicContact CD1-CD1 4.26Å; Y105-L109 HydrophobicContact CE1-CD1 3.79Å; Y105-L109 HydrophobicContact CE1-CG 4.32Å; Y105-L109 HydrophobicContact CE2-CD1 4.48Å; Y105-L109 HydrophobicContact CE2-CD2 4.16Å; Y105-L109 HydrophobicContact CE2-CG 4.13Å; Y105-L109 WeakPolarHBondContact O-CG 3.36Å; Y105-L109 PolarHBondContact O-N 3.03Å; A106-L109 WeakPolarHBondContact O-CB 3.12Å; A106-L109 PolarHBondContact O-N 3.44Å; N107-L109 VanDerWaalsContact C-N 3.35Å; N107-L109 PolarHBondContact O-N 3.36Å; L109-V111 PolarHBondContact O-N 3.14Å; L109-V112 PolarHBondContact O-N 3.43Å; L109-M113 HydrophobicContact CB-CE 3.92Å; L109-M113 WeakPolarHBondContact O-CB 3.5Å; L109-M113 WeakPolarHBondContact O-CE 3.46Å; L109-M113 WeakPolarHBondContact O-CG 3.49Å; L109-M113 PolarHBondContact O-N 2.92Å
110F95.7Very high94.8Very high46 Ų4635 Ų3520%0.20218%0.179CC..Hα-helixtrans-63.8-37.5174.6-68.2-54.6000112.9Y76 A79 V80 A106 N107 T108 M113 D114Y76-F110 HydrophobicContact CD2-CE1 4.04Å; Y76-F110 HydrophobicContact CE2-CE1 4.04Å; A79-F110 HydrophobicContact CB-CD1 3.97Å; A79-F110 HydrophobicContact CB-CD2 4.32Å; A79-F110 HydrophobicContact CB-CE1 3.55Å; A79-F110 HydrophobicContact CB-CE2 3.93Å; A79-F110 HydrophobicContact CB-CG 4.34Å; A79-F110 HydrophobicContact CB-CZ 3.53Å; V80-F110 HydrophobicContact CG2-CE1 4.13Å; V80-F110 HydrophobicContact CG2-CZ 3.82Å; A106-F110 WeakPolarHBondContact O-CD2 3.25Å; A106-F110 PolarHBondContact O-N 2.81Å; N107-F110 PolarHBondContact O-N 3.47Å; T108-F110 VanDerWaalsContact C-N 3.32Å; T108-F110 PolarHBondContact O-N 2.94Å; F110-M113 HydrophobicContact CD1-CE 3.92Å; F110-M113 HydrophobicContact CE1-CE 4.32Å; F110-M113 PolarHBondContact O-N 3.28Å; F110-D114 WeakPolarHBondContact O-CB 3.41Å; F110-D114 PolarHBondContact O-N 2.94Å
111V95.5Very high94.7Very high66 Ų6634.8 Ų34.840%0.417%0.174SC..Hα-helixtrans-66.1-40.1174.7174.50000112.1N107 T108 L109 D114 A115 A228N107-V111 PolarHBondContact O-N 3.5Å; N107-V111 VanDerWaalsContact O-N 3.1Å; T108-V111 PolarHBondContact O-N 3.03Å; T108-V111 VanDerWaalsContact O-N 3.17Å; L109-V111 PolarHBondContact O-N 3.14Å; V111-D114 PolarHBondContact O-N 2.99Å; V111-A115 PolarHBondContact O-N 2.93Å; V111-A228 HydrophobicContact CG1-CB 4.07Å
112V96Very high94.6Very high30 Ų3036.1 Ų36.118%0.18218%0.181CC..Hα-helixtrans-67-39.8175.31740000111T108 L109 A115 M116 A225 A228 L229T108-V112 HydrophobicContact CG2-CG2 4.44Å; T108-V112 WeakPolarHBondContact O-CG2 3.44Å; T108-V112 PolarHBondContact O-N 3.21Å; L109-V112 PolarHBondContact O-N 3.43Å; V112-A115 WeakPolarHBondContact O-CB 3.49Å; V112-A115 PolarHBondContact O-N 3.3Å; V112-M116 PolarHBondContact O-N 3.37Å; V112-A225 HydrophobicContact CG1-CB 4.18Å; V112-A225 HydrophobicContact CG2-CB 4.34Å; V112-A228 HydrophobicContact CG2-CB 4.41Å; V112-L229 HydrophobicContact CG2-CG 4.41Å
113M93.6Very high94.5Very high3 Ų334.6 Ų34.62%0.01517%0.173CC..Hα-helixtrans-66.3-41.1174.7-75.3-176.7-106.400112.8R70 L73 E75 Y76 A79 L109 F110 A115 M116 V117R70-M113 HydrophobicContact CG-CB 3.9Å; R70-M113 HydrophobicContact CG-SD 4.22Å; L73-M113 HydrophobicContact CB-SD 4.47Å; L73-M113 HydrophobicContact CD1-CB 3.88Å; L73-M113 HydrophobicContact CD1-CG 3.79Å; L73-M113 HydrophobicContact CD1-SD 4.17Å; E75-M113 HydrophobicContact CB-CE 4.05Å; E75-M113 HydrophobicContact CB-CG 4.15Å; E75-M113 HydrophobicContact CB-SD 3.92Å; E75-M113 VanDerWaalsContact O-CE 3.29Å; E75-M113 WeakPolarHBondContact O-CE 3.37Å; Y76-M113 VanDerWaalsContact CA-SD 3.52Å; Y76-M113 PolarHBondContact N-SD 3.35Å; Y76-M113 VanDerWaalsContact N-SD 3.43Å; A79-M113 HydrophobicContact CB-CE 3.56Å; L109-M113 HydrophobicContact CB-CE 3.92Å; L109-M113 WeakPolarHBondContact O-CB 3.5Å; L109-M113 WeakPolarHBondContact O-CE 3.46Å; L109-M113 WeakPolarHBondContact O-CG 3.49Å; L109-M113 PolarHBondContact O-N 2.92Å; F110-M113 HydrophobicContact CD1-CE 3.92Å; F110-M113 HydrophobicContact CE1-CE 4.32Å; F110-M113 PolarHBondContact O-N 3.28Å; M113-A115 VanDerWaalsContact C-N 3.33Å; M113-A115 PolarHBondContact O-N 3.41Å; M113-M116 PolarHBondContact O-N 3.31Å; M113-V117 WeakPolarHBondContact O-CG2 3.43Å; M113-V117 PolarHBondContact O-N 2.92Å
114D93Very high94.4Very high36 Ų3635.4 Ų35.419%0.19317%0.174CC..Hα-helixtrans-57.6-45.1171.3163.280.9000111.4F110 V111 M116 V117 R118 K224F110-D114 WeakPolarHBondContact O-CB 3.41Å; F110-D114 PolarHBondContact O-N 2.94Å; V111-D114 PolarHBondContact O-N 2.99Å; D114-M116 VanDerWaalsContact C-N 3.33Å; D114-M116 PolarHBondContact O-N 3.07Å; D114-V117 PolarHBondContact O-N 3.09Å; D114-R118 VanDerWaalsContact CG-NE 3.27Å; D114-R118 VanDerWaalsContact CG-NH2 3.34Å; D114-R118 WeakPolarHBondContact O-CG 3.45Å; D114-R118 PolarHBondContact O-N 3.2Å; D114-R118 IonicContact OD1-CZ 2.67Å; D114-R118 IonicContact OD1-NE 2.81Å; D114-R118 PolarHBondContact OD1-NE 3.32Å; D114-R118 IonicContact OD1-NH2 2.82Å; D114-R118 PolarHBondContact OD1-NH2 3.17Å; D114-R118 IonicContact OD2-CZ 3.15Å; D114-R118 IonicContact OD2-NE 3.67Å; D114-R118 PolarHBondContact OD2-NE 2.68Å; D114-R118 IonicContact OD2-NH2 2.68Å; D114-R118 PolarHBondContact OD2-NH2 3.07Å; D114-K224 IonicContact OD2-NZ 2.67Å; D114-K224 PolarHBondContact OD2-NZ 3.31Å
115A93.4Very high94.2Very high5 Ų539 Ų394%0.04119%0.187CC..Hα-helixtrans-60.2-41.3174.700000112.5V111 V112 M113 M119 F221 K224V111-A115 PolarHBondContact O-N 2.93Å; V112-A115 WeakPolarHBondContact O-CB 3.49Å; V112-A115 PolarHBondContact O-N 3.3Å; M113-A115 VanDerWaalsContact C-N 3.33Å; M113-A115 PolarHBondContact O-N 3.41Å; A115-M119 PolarHBondContact O-N 3.15Å; A115-F221 HydrophobicContact CB-CD2 3.8Å; A115-F221 HydrophobicContact CB-CE2 4.07Å; A115-K224 HydrophobicContact CB-CB 4.48Å; A115-K224 HydrophobicContact CB-CD 3.69Å; A115-K224 HydrophobicContact CB-CG 4.06Å
116M93.1Very high94Very high28 Ų2838.1 Ų38.114%0.13819%0.187CC..Hα-helixtrans-69.1-40.9179.3-170.8166.358.700112.4L73 V112 M113 D114 M119 E120 F221L73-M116 HydrophobicContact CD1-CE 3.59Å; L73-M116 HydrophobicContact CD2-CE 3.76Å; L73-M116 HydrophobicContact CG-CE 4.19Å; V112-M116 PolarHBondContact O-N 3.37Å; M113-M116 PolarHBondContact O-N 3.31Å; D114-M116 VanDerWaalsContact C-N 3.33Å; D114-M116 PolarHBondContact O-N 3.07Å; M116-M119 WeakPolarHBondContact O-CB 3.46Å; M116-M119 PolarHBondContact O-N 3.19Å; M116-E120 PolarHBondContact O-N 2.83Å; M116-F221 HydrophobicContact CB-CD2 4.36Å; M116-F221 HydrophobicContact CB-CE2 3.61Å; M116-F221 HydrophobicContact CB-CZ 4.02Å; M116-F221 HydrophobicContact CG-CE2 4.26Å; M116-F221 HydrophobicContact CG-CZ 4.22Å
117V92.2Very high94Very high3 Ų338.1 Ų38.12%0.01819%0.187CC..Hα-helixtrans-65.5-40.1176.2171.90000111.3L66 R69 R70 L73 M113 D114 E120 I121L66-V117 HydrophobicContact CD2-CG1 3.68Å; R69-V117 HydrophobicContact CB-CG1 3.6Å; R69-V117 HydrophobicContact CB-CG2 4.07Å; R69-V117 HydrophobicContact CG-CG1 4.33Å; R70-V117 HydrophobicContact CB-CG2 4.39Å; L73-V117 HydrophobicContact CD1-CG2 3.98Å; M113-V117 WeakPolarHBondContact O-CG2 3.43Å; M113-V117 PolarHBondContact O-N 2.92Å; D114-V117 PolarHBondContact O-N 3.09Å; V117-E120 PolarHBondContact O-N 3.4Å; V117-I121 HydrophobicContact CG1-CD1 4.08Å; V117-I121 WeakPolarHBondContact O-CG1 3.48Å; V117-I121 PolarHBondContact O-N 2.66Å; V117-I121 VanDerWaalsContact O-N 3.16Å
118R92.3Very high93.9Very high120 Ų12035.9 Ų35.945%0.45317%0.173SC..Hα-helixtrans-61.8-45.5172.9-69.7178.7-156.9-146.43.4111.2D114 E120 I121 D122D114-R118 VanDerWaalsContact CG-NE 3.27Å; D114-R118 VanDerWaalsContact CG-NH2 3.34Å; D114-R118 WeakPolarHBondContact O-CG 3.45Å; D114-R118 PolarHBondContact O-N 3.2Å; D114-R118 IonicContact OD1-CZ 2.67Å; D114-R118 IonicContact OD1-NE 2.81Å; D114-R118 PolarHBondContact OD1-NE 3.32Å; D114-R118 IonicContact OD1-NH2 2.82Å; D114-R118 PolarHBondContact OD1-NH2 3.17Å; D114-R118 IonicContact OD2-CZ 3.15Å; D114-R118 IonicContact OD2-NE 3.67Å; D114-R118 PolarHBondContact OD2-NE 2.68Å; D114-R118 IonicContact OD2-NH2 2.68Å; D114-R118 PolarHBondContact OD2-NH2 3.07Å; R118-E120 VanDerWaalsContact C-N 3.33Å; R118-E120 PolarHBondContact O-N 3.06Å; R118-I121 CarbonylContact O-C 3.54Å; R118-I121 PolarHBondContact O-N 3.05Å; R118-I121 VanDerWaalsContact O-N 3.08Å; R118-D122 WeakPolarHBondContact O-CB 3.34Å; R118-D122 VanDerWaalsContact O-CG 3.28Å; R118-D122 PolarHBondContact O-N 3.06Å
119M93.6Very high93.7Very high28 Ų2840.9 Ų40.914%0.13820%0.196CC..Hα-helixtrans-55.7-43.4175.6-169.5-162.961.500112.8A115 M116 D122 I123 I217 Q218 F221A115-M119 PolarHBondContact O-N 3.15Å; M116-M119 WeakPolarHBondContact O-CB 3.46Å; M116-M119 PolarHBondContact O-N 3.19Å; M119-D122 PolarHBondContact O-N 3.12Å; M119-I123 HydrophobicContact CG-CD1 4.03Å; M119-I123 WeakPolarHBondContact O-CD1 3.39Å; M119-I123 WeakPolarHBondContact O-CG1 3.43Å; M119-I123 PolarHBondContact O-N 3.36Å; M119-I217 HydrophobicContact CG-CG2 3.89Å; M119-Q218 HydrophobicContact SD-CG 4.17Å; M119-F221 HydrophobicContact CB-CB 3.92Å; M119-F221 HydrophobicContact CB-CD2 4.39Å; M119-F221 HydrophobicContact CB-CG 4.15Å; M119-F221 HydrophobicContact CE-CD1 4.28Å; M119-F221 HydrophobicContact CG-CB 3.8Å; M119-F221 HydrophobicContact CG-CG 4.2Å; M119-F221 HydrophobicContact SD-CB 3.62Å; M119-F221 HydrophobicContact SD-CD1 3.42Å; M119-F221 WeakPolarHBondContact SD-CD1 3.37Å; M119-F221 HydrophobicContact SD-CD2 4.49Å; M119-F221 HydrophobicContact SD-CE1 4.24Å; M119-F221 HydrophobicContact SD-CG 3.57Å; M119-F221 VanDerWaalsContact SD-CG 3.57Å
120E92Very high93.6Very high4 Ų442.7 Ų42.72%0.01921%0.21CC..Hα-helixtrans-61.1-45175.4-68.7-175.4167.200111.6F57 R58 S59 M116 V117 R118 I123 E124F57-E120 WeakPolarHBondContact CA-OE1 3.04Å; F57-E120 HydrophobicContact CB-CG 4.23Å; F57-E120 HydrophobicContact CD1-CB 4.35Å; F57-E120 HydrophobicContact CD1-CG 3.82Å; F57-E120 HydrophobicContact CE1-CG 4.38Å; F57-E120 HydrophobicContact CG-CB 4.35Å; F57-E120 HydrophobicContact CG-CG 4.02Å; R58-E120 PolarHBondContact N-OE1 3.28Å; S59-E120 WeakPolarHBondContact CB-OE2 3.47Å; S59-E120 PolarHBondContact N-OE1 3.45Å; S59-E120 PolarHBondContact N-OE2 2.81Å; S59-E120 PolarHBondContact OG-OE2 3.42Å; M116-E120 PolarHBondContact O-N 2.83Å; V117-E120 PolarHBondContact O-N 3.4Å; R118-E120 VanDerWaalsContact C-N 3.33Å; R118-E120 PolarHBondContact O-N 3.06Å; E120-I123 PolarHBondContact O-N 3.24Å; E120-E124 WeakPolarHBondContact O-CG 3.45Å; E120-E124 PolarHBondContact O-N 3.32Å
121I91Very high93.6Very high39 Ų3940.5 Ų40.520%0.220%0.201CC..Hα-helixtrans-66-43.2178.1-68.7166.7000111.8L66 V117 R118 I123 E124 K125L66-I121 HydrophobicContact CD2-CD1 3.47Å; L66-I121 VanDerWaalsContact CD2-CD1 3.47Å; V117-I121 HydrophobicContact CG1-CD1 4.08Å; V117-I121 WeakPolarHBondContact O-CG1 3.48Å; V117-I121 PolarHBondContact O-N 2.66Å; V117-I121 VanDerWaalsContact O-N 3.16Å; R118-I121 CarbonylContact O-C 3.54Å; R118-I121 PolarHBondContact O-N 3.05Å; R118-I121 VanDerWaalsContact O-N 3.08Å; I121-I123 VanDerWaalsContact C-N 3.28Å; I121-I123 PolarHBondContact O-N 3.39Å; I121-E124 PolarHBondContact O-N 2.75Å; I121-K125 WeakPolarHBondContact O-CB 3.43Å; I121-K125 PolarHBondContact O-N 2.97Å
122D93.3Very high93.6Very high55 Ų5539 Ų3929%0.29420%0.195SC..Hα-helixtrans-66-32.7-179.8-70-37.1000111.1R118 M119 H126 I217R118-D122 WeakPolarHBondContact O-CB 3.34Å; R118-D122 VanDerWaalsContact O-CG 3.28Å; R118-D122 PolarHBondContact O-N 3.06Å; M119-D122 PolarHBondContact O-N 3.12Å; D122-H126 WeakPolarHBondContact O-CA 3.36Å; D122-H126 VanDerWaalsContact O-CB 3.26Å; D122-H126 WeakPolarHBondContact O-CB 3.3Å; D122-H126 PolarHBondContact O-N 3.32Å; D122-I217 HydrophobicContact CB-CD1 4.43Å; D122-I217 HydrophobicContact CB-CG1 4.45Å; D122-I217 HydrophobicContact CB-CG2 3.76Å
123I94.1Very high93.6Very high1 Ų140.4 Ų40.41%0.00521%0.205CC..Hα-helixtrans-72.1-44.2170.8-64.2166.9000110.9L53 F57 M119 E120 I121 K125 V127 F128 L214 I217L53-I123 HydrophobicContact CD1-CG2 4.49Å; L53-I123 HydrophobicContact CD2-CG2 3.52Å; L53-I123 HydrophobicContact CG-CG2 3.91Å; F57-I123 HydrophobicContact CE1-CB 4.45Å; F57-I123 HydrophobicContact CE1-CD1 4.24Å; F57-I123 HydrophobicContact CE1-CG2 4.29Å; F57-I123 HydrophobicContact CZ-CB 3.92Å; F57-I123 HydrophobicContact CZ-CG2 3.65Å; M119-I123 HydrophobicContact CG-CD1 4.03Å; M119-I123 WeakPolarHBondContact O-CD1 3.39Å; M119-I123 WeakPolarHBondContact O-CG1 3.43Å; M119-I123 PolarHBondContact O-N 3.36Å; E120-I123 PolarHBondContact O-N 3.24Å; I121-I123 VanDerWaalsContact C-N 3.28Å; I121-I123 PolarHBondContact O-N 3.39Å; I123-K125 VanDerWaalsContact C-N 3.25Å; I123-K125 PolarHBondContact O-N 3.39Å; I123-V127 HydrophobicContact CB-CG2 4.46Å; I123-V127 HydrophobicContact CG2-CB 3.87Å; I123-V127 HydrophobicContact CG2-CG1 4.35Å; I123-V127 HydrophobicContact CG2-CG2 4.02Å; I123-V127 WeakPolarHBondContact O-CA 3.32Å; I123-V127 VanDerWaalsContact O-CB 3.23Å; I123-V127 WeakPolarHBondContact O-CB 3.45Å; I123-V127 PolarHBondContact O-N 3.42Å; I123-F128 HydrophobicContact CG2-CE1 4.36Å; I123-F128 PolarHBondContact O-N 3.19Å; I123-F128 VanDerWaalsContact O-N 3.14Å; I123-L214 HydrophobicContact CD1-CD1 3.78Å; I123-L214 HydrophobicContact CG1-CD1 3.89Å; I123-L214 HydrophobicContact CG2-CD1 4.19Å; I123-I217 HydrophobicContact CG1-CB 4.47Å; I123-I217 HydrophobicContact CG1-CD1 4.45Å; I123-I217 HydrophobicContact CG1-CG2 3.86Å
124E91.2Very high93.7Very high46 Ų4640.4 Ų40.422%0.21521%0.205CC..Hα-helixtrans-56.7-42.2175.9-74.8-178.8146.900111.9F57 R69 E120 I121 F128F57-E124 HydrophobicContact CD2-CG 4.3Å; F57-E124 HydrophobicContact CE2-CG 3.6Å; F57-E124 HydrophobicContact CZ-CG 4.45Å; R69-E124 IonicContact CZ-OE2 2.66Å; R69-E124 IonicContact NH1-OE1 2.63Å; R69-E124 IonicContact NH1-OE2 3.58Å; R69-E124 PolarHBondContact NH1-OE2 3.38Å; R69-E124 IonicContact NH2-OE2 2.82Å; R69-E124 PolarHBondContact NH2-OE2 2.88Å; E120-E124 WeakPolarHBondContact O-CG 3.45Å; E120-E124 PolarHBondContact O-N 3.32Å; I121-E124 PolarHBondContact O-N 2.75Å; E124-F128 HydrophobicContact CB-CD2 4.27Å; E124-F128 HydrophobicContact CG-CD2 3.97Å; E124-F128 HydrophobicContact CG-CE2 3.92Å; E124-F128 WeakPolarHBondContact O-CB 3.29Å
125K92.5Very high93.9Very high100 Ų10039.2 Ų39.244%0.43520%0.198SC..Hα-helixtrans-76-59.1178.8-174.9-179.5172.4-1550112.7I121 I123 E129I121-K125 WeakPolarHBondContact O-CB 3.43Å; I121-K125 PolarHBondContact O-N 2.97Å; I123-K125 VanDerWaalsContact C-N 3.25Å; I123-K125 PolarHBondContact O-N 3.39Å; K125-E129 WeakPolarHBondContact O-CB 3.4Å; K125-E129 VanDerWaalsContact O-CD 3.24Å; K125-E129 WeakPolarHBondContact O-CG 3.16Å
126H94.8Very high94.1Very high81 Ų8144.1 Ų44.138%0.37522%0.22SC..Hα-helixtrans-91.3-6.8-168.3-63.2-70.9000114.9D122 S130 T213 I217D122-H126 WeakPolarHBondContact O-CA 3.36Å; D122-H126 VanDerWaalsContact O-CB 3.26Å; D122-H126 WeakPolarHBondContact O-CB 3.3Å; D122-H126 PolarHBondContact O-N 3.32Å; H126-S130 PolarHBondContact O-OG 3.03Å; H126-T213 HydrophobicContact CB-CG2 4.01Å; H126-T213 WeakPolarHBondContact O-CG2 3.29Å; H126-I217 HydrophobicContact CB-CD1 4Å
127V95.7Very high94.2Very high0 Ų044 Ų440%022%0.224CC..THydrogen-bonded Turntrans-113-47.5174.3-179.80000110.7L53 I123 L131 V210 T213 L214 I217L53-V127 HydrophobicContact CD2-CG1 4.23Å; I123-V127 HydrophobicContact CB-CG2 4.46Å; I123-V127 HydrophobicContact CG2-CB 3.87Å; I123-V127 HydrophobicContact CG2-CG1 4.35Å; I123-V127 HydrophobicContact CG2-CG2 4.02Å; I123-V127 WeakPolarHBondContact O-CA 3.32Å; I123-V127 VanDerWaalsContact O-CB 3.23Å; I123-V127 WeakPolarHBondContact O-CB 3.45Å; I123-V127 PolarHBondContact O-N 3.42Å; V127-L131 HydrophobicContact CG1-CD1 4.32Å; V127-L131 VanDerWaalsContact O-CG 3.27Å; V127-L131 WeakPolarHBondContact O-CG 3.29Å; V127-L131 PolarHBondContact O-N 3.26Å; V127-L131 VanDerWaalsContact O-N 3.15Å; V127-V210 HydrophobicContact CG1-CG1 3.68Å; V127-T213 HydrophobicContact CG2-CG2 4.31Å; V127-L214 HydrophobicContact CG2-CB 4.05Å; V127-L214 HydrophobicContact CG2-CD1 4.32Å; V127-I217 HydrophobicContact CG2-CD1 4.1Å
128F94.3Very high94.3Very high24 Ų2446.1 Ų46.111%0.10523%0.233CC..Hα-helixtrans-77.2-25.5-176.6-57.9-21.1000114.8K50 L53 F57 I123 E124K50-F128 HydrophobicContact CB-CE1 4.47Å; K50-F128 HydrophobicContact CD-CD1 4.35Å; K50-F128 HydrophobicContact CD-CG 4.49Å; K50-F128 HydrophobicContact CG-CD1 3.89Å; K50-F128 HydrophobicContact CG-CE1 4.04Å; K50-F128 HydrophobicContact CG-CG 4.3Å; K50-F128 PolarHBondContact NZ-O 3.42Å; L53-F128 HydrophobicContact CB-CE1 4.08Å; L53-F128 HydrophobicContact CB-CZ 4.2Å; L53-F128 HydrophobicContact CD2-CE1 3.99Å; L53-F128 HydrophobicContact CG-CE1 4.11Å; L53-F128 HydrophobicContact CG-CZ 4.23Å; F57-F128 AromaticContact CE2-CE2 3.69Å; F57-F128 HydrophobicContact CE2-CE2 3.69Å; F57-F128 AromaticContact CE2-CZ 3.81Å; F57-F128 HydrophobicContact CE2-CZ 3.81Å; F57-F128 HydrophobicContact CZ-CE2 4.21Å; F57-F128 AromaticContact CZ-CZ 3.94Å; F57-F128 HydrophobicContact CZ-CZ 3.94Å; I123-F128 HydrophobicContact CG2-CE1 4.36Å; I123-F128 PolarHBondContact O-N 3.19Å; I123-F128 VanDerWaalsContact O-N 3.14Å; E124-F128 HydrophobicContact CB-CD2 4.27Å; E124-F128 HydrophobicContact CG-CD2 3.97Å; E124-F128 HydrophobicContact CG-CE2 3.92Å; E124-F128 WeakPolarHBondContact O-CB 3.29Å
129E93.2Very high94.5Very high123 Ų12345.8 Ų45.858%0.57524%0.235SC*.Hα-helixtrans-71.5-48170.2-61.4175.8-166.100110.6K125 L131 A132 P133K125-E129 WeakPolarHBondContact O-CB 3.4Å; K125-E129 VanDerWaalsContact O-CD 3.24Å; K125-E129 WeakPolarHBondContact O-CG 3.16Å; E129-L131 PolarHBondContact O-N 3.34Å; E129-L131 VanDerWaalsContact O-N 3.16Å; E129-A132 WeakPolarHBondContact O-CB 3.46Å; E129-A132 PolarHBondContact O-N 3.29Å; E129-P133 WeakPolarHBondContact O-CD 3.2Å
130S95.3Very high94.6Very high59 Ų5947 Ų4741%0.41325%0.246SC..Hα-helixtrans-59.3-26.6176.5-63.30000113.7H126 F134H126-S130 PolarHBondContact O-OG 3.03Å; S130-F134 VanDerWaalsContact O-CE2 3.29Å; S130-F134 WeakPolarHBondContact O-CE2 3.3Å
131L96.2Very high94.7Very high0 Ų047.5 Ų47.50%025%0.249CC..Hα-helixtrans-77.4-24172.8-72.6175.2000114.2L46 K50 V127 E129 F134 F135 V210L46-L131 HydrophobicContact CB-CD2 4.05Å; L46-L131 HydrophobicContact CD1-CD2 3.94Å; L46-L131 HydrophobicContact CD2-CD2 3.91Å; L46-L131 HydrophobicContact CG-CD2 4.17Å; K50-L131 HydrophobicContact CB-CD1 4.16Å; V127-L131 HydrophobicContact CG1-CD1 4.32Å; V127-L131 VanDerWaalsContact O-CG 3.27Å; V127-L131 WeakPolarHBondContact O-CG 3.29Å; V127-L131 PolarHBondContact O-N 3.26Å; V127-L131 VanDerWaalsContact O-N 3.15Å; E129-L131 PolarHBondContact O-N 3.34Å; E129-L131 VanDerWaalsContact O-N 3.16Å; L131-F134 HydrophobicContact CD2-CD2 4.08Å; L131-F134 HydrophobicContact CD2-CE2 4.29Å; L131-F134 PolarHBondContact O-N 3.44Å; L131-F135 HydrophobicContact CB-CD2 4.49Å; L131-F135 HydrophobicContact CB-CE2 3.64Å; L131-F135 HydrophobicContact CB-CZ 4.06Å; L131-F135 VanDerWaalsContact O-CD2 3.24Å; L131-F135 WeakPolarHBondContact O-CD2 3.49Å; L131-F135 WeakPolarHBondContact O-CE2 3.45Å; L131-V210 HydrophobicContact CD1-CG1 4.44Å; L131-V210 HydrophobicContact CD2-CB 4.45Å; L131-V210 HydrophobicContact CD2-CG1 3.93Å; L131-V210 HydrophobicContact CD2-CG2 4.11Å; L131-V210 HydrophobicContact CG-CG1 3.99Å
132A95.6Very high94.8Very high34 Ų3448.9 Ų48.928%0.28126%0.259SS..Hα-helixtrans-61.1-42-173.500000114.2E129 F134 F135 E136E129-A132 WeakPolarHBondContact O-CB 3.46Å; E129-A132 PolarHBondContact O-N 3.29Å; A132-F134 PolarHBondContact O-N 3.14Å; A132-F134 VanDerWaalsContact O-N 3.16Å; A132-F135 PolarHBondContact O-N 3.16Å; A132-F135 VanDerWaalsContact O-N 3.14Å; A132-E136 PolarHBondContact O-N 3.08Å; A132-E136 VanDerWaalsContact O-N 3.08Å
133P95.8Very high95Very high60 Ų6051.5 Ų51.539%0.3927%0.269SS..Hα-helixtrans-59.8-23.3176.8-27.736.4000115.4E129 A137E129-P133 WeakPolarHBondContact O-CD 3.2Å; P133-A137 WeakPolarHBondContact O-CB 3.46Å; P133-A137 PolarHBondContact O-N 3.08Å
134F96.2Very high94.9Very high2 Ų252 Ų521%0.00927%0.272CS..Hα-helixtrans-77.6-39.6176.1-50.6-56.8000111.2L46 S130 L131 A132 A137 E138 L200 R203 E206 M207 V210L46-F134 HydrophobicContact CD1-CB 4.29Å; L46-F134 HydrophobicContact CD1-CD2 3.78Å; L46-F134 HydrophobicContact CD1-CE2 4.45Å; L46-F134 HydrophobicContact CD1-CG 4.19Å; S130-F134 VanDerWaalsContact O-CE2 3.29Å; S130-F134 WeakPolarHBondContact O-CE2 3.3Å; L131-F134 HydrophobicContact CD2-CD2 4.08Å; L131-F134 HydrophobicContact CD2-CE2 4.29Å; L131-F134 PolarHBondContact O-N 3.44Å; A132-F134 PolarHBondContact O-N 3.14Å; A132-F134 VanDerWaalsContact O-N 3.16Å; F134-A137 PolarHBondContact O-N 3.24Å; F134-E138 WeakPolarHBondContact O-CB 3.29Å; F134-E138 PolarHBondContact O-N 3.4Å; F134-L200 HydrophobicContact CB-CD1 4.46Å; F134-L200 HydrophobicContact CD1-CD1 3.97Å; F134-R203 HydrophobicContact CE1-CB 4.07Å; F134-E206 HydrophobicContact CE1-CB 4.12Å; F134-E206 HydrophobicContact CZ-CB 3.79Å; F134-M207 HydrophobicContact CB-CE 4.48Å; F134-M207 HydrophobicContact CD1-CE 3.7Å; F134-M207 HydrophobicContact CD1-CG 3.91Å; F134-M207 HydrophobicContact CD2-CG 4.15Å; F134-M207 HydrophobicContact CE1-CE 4.18Å; F134-M207 HydrophobicContact CE1-CG 3.64Å; F134-M207 HydrophobicContact CE2-CG 3.92Å; F134-M207 HydrophobicContact CG-CE 4.17Å; F134-M207 HydrophobicContact CG-CG 4.16Å; F134-M207 HydrophobicContact CZ-CB 4.39Å; F134-M207 HydrophobicContact CZ-CG 3.67Å; F134-V210 HydrophobicContact CE2-CG2 4.18Å
135F96.5Very high95Very high12 Ų1251.6 Ų51.65%0.05327%0.27CS..Hα-helixtrans-71.3-32.5177.8-52.2-46.7000112.9V43 L46 H47 K50 L131 A132 K139V43-F135 HydrophobicContact CG1-CD1 3.63Å; V43-F135 HydrophobicContact CG1-CE1 3.9Å; L46-F135 HydrophobicContact CB-CE1 3.9Å; L46-F135 HydrophobicContact CB-CZ 4.04Å; H47-F135 HydrophobicContact CB-CE1 4.41Å; H47-F135 AromaticContact CD2-CD1 3.93Å; H47-F135 AromaticContact CD2-CE1 3.82Å; H47-F135 AromaticContact CE1-CD1 3.16Å; H47-F135 WeakPolarHBondContact CE1-CD1 3.49Å; H47-F135 AromaticContact CE1-CE1 3.52Å; H47-F135 AromaticContact CE1-CG 3.74Å; H47-F135 AromaticContact CG-CE1 3.64Å; H47-F135 AromaticContact ND1-CD1 3.63Å; H47-F135 AromaticContact ND1-CE1 3.46Å; H47-F135 WeakPolarHBondContact ND1-CE1 3.5Å; H47-F135 AromaticContact ND1-CZ 4Å; H47-F135 AromaticContact NE2-CD1 3.36Å; H47-F135 WeakPolarHBondContact NE2-CD1 3.22Å; H47-F135 AromaticContact NE2-CE1 3.74Å; K50-F135 HydrophobicContact CD-CE2 3.57Å; K50-F135 HydrophobicContact CD-CZ 4.17Å; L131-F135 HydrophobicContact CB-CD2 4.49Å; L131-F135 HydrophobicContact CB-CE2 3.64Å; L131-F135 HydrophobicContact CB-CZ 4.06Å; L131-F135 VanDerWaalsContact O-CD2 3.24Å; L131-F135 WeakPolarHBondContact O-CD2 3.49Å; L131-F135 WeakPolarHBondContact O-CE2 3.45Å; A132-F135 PolarHBondContact O-N 3.16Å; A132-F135 VanDerWaalsContact O-N 3.14Å; F135-K139 VanDerWaalsContact O-CG 3.3Å; F135-K139 WeakPolarHBondContact O-CG 3.47Å; F135-K139 PolarHBondContact O-N 3.46Å
136E96.3Very high95.1Very high107 Ų10751.3 Ų51.350%0.527%0.27SS..Hα-helixtrans-72.7-35.7172.4-57.1-45.913100112A132 K139 S140A132-E136 PolarHBondContact O-N 3.08Å; A132-E136 VanDerWaalsContact O-N 3.08Å; E136-K139 PolarHBondContact O-N 2.89Å; E136-K139 IonicContact OE1-NZ 3.72Å; E136-K139 PolarHBondContact OE1-NZ 3.34Å; E136-K139 WeakPolarHBondContact OE2-CD 3.27Å; E136-K139 IonicContact OE2-NZ 3.92Å; E136-K139 PolarHBondContact OE2-NZ 3.27Å; E136-S140 PolarHBondContact O-N 2.97Å; E136-S140 VanDerWaalsContact O-N 3.15Å
137A95.5Very high95.1Very high27 Ų2751.5 Ų51.522%0.22327%0.27CS..Hα-helixtrans-65.6-42.6173.700000112.3P133 F134 K139 S140 I141 L200P133-A137 WeakPolarHBondContact O-CB 3.46Å; P133-A137 PolarHBondContact O-N 3.08Å; F134-A137 PolarHBondContact O-N 3.24Å; A137-K139 PolarHBondContact O-N 3.38Å; A137-S140 WeakPolarHBondContact O-CB 3.24Å; A137-S140 PolarHBondContact O-N 3.11Å; A137-S140 VanDerWaalsContact O-N 3.17Å; A137-I141 WeakPolarHBondContact O-CG1 3.39Å; A137-I141 PolarHBondContact O-N 3.01Å; A137-L200 HydrophobicContact CB-CD1 3.94Å; A137-L200 HydrophobicContact CB-CD2 3.9Å; A137-L200 HydrophobicContact CB-CG 4.37Å
138E95.2Very high94.9Very high46 Ų4651.6 Ų51.622%0.21527%0.27CS..Hα-helixtrans-54.5-49172.2175.1-168.2-130.700111.9V43 H47 F134 S140 I141 V142V43-E138 HydrophobicContact CG1-CB 4.14Å; V43-E138 VanDerWaalsContact CG1-CD 3.48Å; V43-E138 HydrophobicContact CG1-CG 4.23Å; V43-E138 WeakPolarHBondContact CG1-OE1 3.45Å; H47-E138 IonicContact CD2-OE1 2.86Å; H47-E138 IonicContact CD2-OE2 3.81Å; H47-E138 IonicContact CE1-OE2 3.78Å; H47-E138 IonicContact NE2-OE1 3.7Å; H47-E138 PolarHBondContact NE2-OE1 3.33Å; H47-E138 IonicContact NE2-OE2 2.68Å; H47-E138 PolarHBondContact NE2-OE2 2.83Å; F134-E138 WeakPolarHBondContact O-CB 3.29Å; F134-E138 PolarHBondContact O-N 3.4Å; E138-S140 VanDerWaalsContact C-N 3.29Å; E138-S140 PolarHBondContact O-N 2.95Å; E138-I141 PolarHBondContact O-N 3.13Å; E138-V142 WeakPolarHBondContact O-CG2 3.25Å; E138-V142 PolarHBondContact O-N 3.27Å
139K95.7Very high94.8Very high113 Ų11356.4 Ų56.449%0.49129%0.291SS..Hα-helixtrans-59.3-38.9176.4-69.5166.2-168.9170.60112.7F135 E136 A137 V142 H143F135-K139 VanDerWaalsContact O-CG 3.3Å; F135-K139 WeakPolarHBondContact O-CG 3.47Å; F135-K139 PolarHBondContact O-N 3.46Å; E136-K139 PolarHBondContact O-N 2.89Å; E136-K139 IonicContact OE1-NZ 3.72Å; E136-K139 PolarHBondContact OE1-NZ 3.34Å; E136-K139 WeakPolarHBondContact OE2-CD 3.27Å; E136-K139 IonicContact OE2-NZ 3.92Å; E136-K139 PolarHBondContact OE2-NZ 3.27Å; A137-K139 PolarHBondContact O-N 3.38Å; K139-V142 PolarHBondContact O-N 3.34Å; K139-H143 WeakPolarHBondContact O-CB 3.47Å; K139-H143 PolarHBondContact O-N 2.73Å
140S95.7Very high94.8Very high53 Ų5356 Ų5637%0.37129%0.285SS..Hα-helixtrans-64-49.5177.4-152.20000110.8E136 A137 E138 V142 H143 T144 E196E136-S140 PolarHBondContact O-N 2.97Å; E136-S140 VanDerWaalsContact O-N 3.15Å; A137-S140 WeakPolarHBondContact O-CB 3.24Å; A137-S140 PolarHBondContact O-N 3.11Å; A137-S140 VanDerWaalsContact O-N 3.17Å; E138-S140 VanDerWaalsContact C-N 3.29Å; E138-S140 PolarHBondContact O-N 2.95Å; S140-V142 VanDerWaalsContact C-N 3.3Å; S140-V142 PolarHBondContact O-N 2.96Å; S140-H143 WeakPolarHBondContact O-CB 3.34Å; S140-H143 PolarHBondContact O-N 2.63Å; S140-T144 PolarHBondContact O-N 3.01Å; S140-T144 PolarHBondContact O-OG1 2.97Å; S140-E196 VanDerWaalsContact CB-OE1 3.25Å; S140-E196 WeakPolarHBondContact CB-OE1 3.37Å; S140-E196 PolarHBondContact OG-OE1 3.11Å
141I94.4Very high94.6Very high15 Ų1554.7 Ų54.78%0.07727%0.272CS..Hα-helixtrans-55.8-43.6174.8-67.6164.7000111A137 E138 T144 K145 F193 E196 V197 L200A137-I141 WeakPolarHBondContact O-CG1 3.39Å; A137-I141 PolarHBondContact O-N 3.01Å; E138-I141 PolarHBondContact O-N 3.13Å; I141-T144 PolarHBondContact O-N 2.97Å; I141-K145 WeakPolarHBondContact O-CB 3.49Å; I141-K145 PolarHBondContact O-N 3.44Å; I141-F193 HydrophobicContact CG2-CE2 3.73Å; I141-F193 HydrophobicContact CG2-CZ 4.41Å; I141-E196 HydrophobicContact CG1-CB 3.64Å; I141-V197 HydrophobicContact CG2-CG2 3.91Å; I141-L200 HydrophobicContact CD1-CB 3.83Å; I141-L200 HydrophobicContact CD1-CD2 3.6Å; I141-L200 HydrophobicContact CD1-CG 4.35Å
142V94.2Very high94.4Very high69 Ų6955.6 Ų55.642%0.41828%0.278SS..Hα-helixtrans-64.2-43.1176.3171.70000111.8E138 K139 S140 K145 E146E138-V142 WeakPolarHBondContact O-CG2 3.25Å; E138-V142 PolarHBondContact O-N 3.27Å; K139-V142 PolarHBondContact O-N 3.34Å; S140-V142 VanDerWaalsContact C-N 3.3Å; S140-V142 PolarHBondContact O-N 2.96Å; V142-K145 WeakPolarHBondContact O-CB 3.47Å; V142-K145 PolarHBondContact O-N 3.15Å; V142-E146 PolarHBondContact O-N 3.29Å
143H96Very high94.1Very high109 Ų10959.8 Ų59.851%0.50530%0.295SS..Hα-helixtrans-63.4-43.1176.7-174.285.3000112.1K139 S140 E146 K147K139-H143 WeakPolarHBondContact O-CB 3.47Å; K139-H143 PolarHBondContact O-N 2.73Å; S140-H143 WeakPolarHBondContact O-CB 3.34Å; S140-H143 PolarHBondContact O-N 2.63Å; H143-E146 PolarHBondContact O-N 3.02Å; H143-K147 WeakPolarHBondContact O-CB 3.34Å; H143-K147 PolarHBondContact O-N 3.33Å
144T93.7Very high93.9Very high11 Ų1161.3 Ų61.37%0.06730%0.3CS..Hα-helixtrans-69.1-37.1176.7-56.40000111.7S140 I141 E146 K147 L148 I192 F193 E196S140-T144 PolarHBondContact O-N 3.01Å; S140-T144 PolarHBondContact O-OG1 2.97Å; I141-T144 PolarHBondContact O-N 2.97Å; T144-E146 VanDerWaalsContact C-N 3.29Å; T144-E146 PolarHBondContact O-N 3.42Å; T144-K147 PolarHBondContact O-N 3.26Å; T144-L148 WeakPolarHBondContact O-CB 3.16Å; T144-L148 PolarHBondContact O-N 3Å; T144-I192 HydrophobicContact CG2-CG2 4.01Å; T144-F193 HydrophobicContact CG2-CB 3.79Å; T144-F193 HydrophobicContact CG2-CD2 4.19Å; T144-E196 WeakPolarHBondContact CB-OE2 3.32Å; T144-E196 PolarHBondContact OG1-OE2 3.39Å
145K92.8Very high93.6Very high39 Ų3962.2 Ų62.217%0.1730%0.304CS..Hα-helixtrans-57.3-38.9171.2-179.7168.2174.6163.70111.6E36 E40 I141 V142 K149 F193E36-K145 VanDerWaalsContact OE1-CD 3.23Å; E36-K145 WeakPolarHBondContact OE1-CD 3.16Å; E36-K145 WeakPolarHBondContact OE1-CE 3.39Å; E36-K145 IonicContact OE1-NZ 2.87Å; E36-K145 PolarHBondContact OE1-NZ 3.16Å; E40-K145 IonicContact OE2-NZ 2.72Å; E40-K145 PolarHBondContact OE2-NZ 2.92Å; I141-K145 WeakPolarHBondContact O-CB 3.49Å; I141-K145 PolarHBondContact O-N 3.44Å; V142-K145 WeakPolarHBondContact O-CB 3.47Å; V142-K145 PolarHBondContact O-N 3.15Å; K145-K149 VanDerWaalsContact O-CG 3.32Å; K145-K149 WeakPolarHBondContact O-CG 3.23Å; K145-K149 PolarHBondContact O-N 3.34Å; K145-F193 HydrophobicContact CB-CD2 4.28Å; K145-F193 HydrophobicContact CB-CE2 3.75Å; K145-F193 HydrophobicContact CB-CZ 4.5Å; K145-F193 HydrophobicContact CD-CE2 4.48Å; K145-F193 HydrophobicContact CG-CE2 4.37Å
146E93.8Very high93.2Very high93 Ų9363.6 Ų63.644%0.43531%0.312SS..Hα-helixtrans-73.1-43.3171.3-69.9-171.8-176.100113.9V142 H143 T144 L148 K149 R150V142-E146 PolarHBondContact O-N 3.29Å; H143-E146 PolarHBondContact O-N 3.02Å; T144-E146 VanDerWaalsContact C-N 3.29Å; T144-E146 PolarHBondContact O-N 3.42Å; E146-L148 VanDerWaalsContact C-N 3.28Å; E146-L148 PolarHBondContact O-N 3.21Å; E146-K149 WeakPolarHBondContact O-CB 3.31Å; E146-K149 PolarHBondContact O-N 2.97Å; E146-K149 VanDerWaalsContact O-N 3.16Å; E146-R150 VanDerWaalsContact CB-NH2 3.3Å; E146-R150 WeakPolarHBondContact O-CG 3.46Å; E146-R150 PolarHBondContact O-N 2.93Å; E146-R150 IonicContact OE2-CZ 3.37Å; E146-R150 IonicContact OE2-NH2 3.32Å; E146-R150 PolarHBondContact OE2-NH2 2.88Å
147K94.9Very high92.9Very high85 Ų8560.4 Ų60.437%0.3731%0.305SS..Hα-helixtrans-58-42.8178.1-177.6-175.7172.1-172.30111H143 T144 R150 L151H143-K147 WeakPolarHBondContact O-CB 3.34Å; H143-K147 PolarHBondContact O-N 3.33Å; T144-K147 PolarHBondContact O-N 3.26Å; K147-R150 PolarHBondContact O-N 3.31Å; K147-L151 HydrophobicContact CG-CD1 4.24Å; K147-L151 WeakPolarHBondContact O-CG 3.42Å; K147-L151 PolarHBondContact O-N 3.41Å
148L91.8Very high92.5Very high2 Ų259.2 Ų59.21%0.0129%0.294CS..Hα-helixtrans-62.1-45.1174.5179.858.2000111.7T144 E146 R150 L151 V152 V186 C189 K190 F193T144-L148 WeakPolarHBondContact O-CB 3.16Å; T144-L148 PolarHBondContact O-N 3Å; E146-L148 VanDerWaalsContact C-N 3.28Å; E146-L148 PolarHBondContact O-N 3.21Å; L148-R150 VanDerWaalsContact C-N 3.29Å; L148-R150 PolarHBondContact O-N 3.5Å; L148-L151 PolarHBondContact O-N 2.65Å; L148-V152 HydrophobicContact CD1-CG2 4.08Å; L148-V152 HydrophobicContact CG-CG2 4.49Å; L148-V152 VanDerWaalsContact O-CG2 3.29Å; L148-V152 WeakPolarHBondContact O-CG2 3.33Å; L148-V152 PolarHBondContact O-N 3.41Å; L148-V186 HydrophobicContact CD1-CG1 4.3Å; L148-C189 HydrophobicContact CD1-CB 4.15Å; L148-K190 HydrophobicContact CD1-CG 3.91Å; L148-K190 HydrophobicContact CD2-CG 4.3Å; L148-F193 HydrophobicContact CD2-CB 4.34Å; L148-F193 HydrophobicContact CD2-CD1 4.29Å; L148-F193 HydrophobicContact CD2-CG 4.32Å
149K92.2Very high92.1Very high125 Ų12560.5 Ų60.554%0.54330%0.298SS..Hα-helixtrans-55.9-42.1174.1-74169.9-176.6177.70112.2K145 E146 L153K145-K149 VanDerWaalsContact O-CG 3.32Å; K145-K149 WeakPolarHBondContact O-CG 3.23Å; K145-K149 PolarHBondContact O-N 3.34Å; E146-K149 WeakPolarHBondContact O-CB 3.31Å; E146-K149 PolarHBondContact O-N 2.97Å; E146-K149 VanDerWaalsContact O-N 3.16Å; K149-L153 WeakPolarHBondContact O-CG 3.4Å; K149-L153 PolarHBondContact O-N 3.19Å
150R92.7Very high91.7Very high116 Ų11658.7 Ų58.744%0.43830%0.296SS..Hα-helixtrans-65.3-49.1178.2-65.3176.6-128.9130.8-0.7111.4E146 K147 L148 V152 L153 D154E146-R150 VanDerWaalsContact CB-NH2 3.3Å; E146-R150 WeakPolarHBondContact O-CG 3.46Å; E146-R150 PolarHBondContact O-N 2.93Å; E146-R150 IonicContact OE2-CZ 3.37Å; E146-R150 IonicContact OE2-NH2 3.32Å; E146-R150 PolarHBondContact OE2-NH2 2.88Å; K147-R150 PolarHBondContact O-N 3.31Å; L148-R150 VanDerWaalsContact C-N 3.29Å; L148-R150 PolarHBondContact O-N 3.5Å; R150-V152 VanDerWaalsContact C-N 3.32Å; R150-V152 PolarHBondContact O-N 3.09Å; R150-L153 WeakPolarHBondContact O-CB 3.25Å; R150-L153 PolarHBondContact O-N 3.44Å; R150-L153 VanDerWaalsContact O-N 3.12Å; R150-D154 PolarHBondContact O-N 3.47Å
151L92.5Very high91.2Very high30 Ų3061 Ų6116%0.15730%0.297CS..Hα-helixtrans-64-33.8179.9-69.2170.9000113.4K147 L148 D154 M155 R185 V186 C189K147-L151 HydrophobicContact CG-CD1 4.24Å; K147-L151 WeakPolarHBondContact O-CG 3.42Å; K147-L151 PolarHBondContact O-N 3.41Å; L148-L151 PolarHBondContact O-N 2.65Å; L151-D154 PolarHBondContact O-N 3.04Å; L151-M155 WeakPolarHBondContact O-CB 3.45Å; L151-M155 PolarHBondContact O-N 3.38Å; L151-R185 HydrophobicContact CD1-CB 4.48Å; L151-R185 HydrophobicContact CD2-CB 4.12Å; L151-V186 HydrophobicContact CB-CG2 3.99Å; L151-V186 WeakPolarHBondContact O-CG2 3.4Å; L151-C189 HydrophobicContact CD1-CB 3.63Å
152V90.2Very high90.7Very high20 Ų2061.7 Ų61.712%0.12130%0.3CS..Hα-helixtrans-65.4-39.2173.9170.10000111.2V27 L148 R150 M155 D156 V186V27-V152 HydrophobicContact CG1-CG2 3.85Å; V27-V152 HydrophobicContact CG2-CG1 4.25Å; L148-V152 HydrophobicContact CD1-CG2 4.08Å; L148-V152 HydrophobicContact CG-CG2 4.49Å; L148-V152 VanDerWaalsContact O-CG2 3.29Å; L148-V152 WeakPolarHBondContact O-CG2 3.33Å; L148-V152 PolarHBondContact O-N 3.41Å; R150-V152 VanDerWaalsContact C-N 3.32Å; R150-V152 PolarHBondContact O-N 3.09Å; V152-M155 PolarHBondContact O-N 3.14Å; V152-D156 PolarHBondContact O-N 3.06Å; V152-V186 HydrophobicContact CG2-CG1 3.97Å; V152-V186 HydrophobicContact CG2-CG2 4.21Å
153L91Very high90.1Very high122 Ų12261.5 Ų61.564%0.63930%0.302SS*.Hα-helixtrans-66-40.1174.2-67.6169000112K149 R150 M155 D156 A157K149-L153 WeakPolarHBondContact O-CG 3.4Å; K149-L153 PolarHBondContact O-N 3.19Å; R150-L153 WeakPolarHBondContact O-CB 3.25Å; R150-L153 PolarHBondContact O-N 3.44Å; R150-L153 VanDerWaalsContact O-N 3.12Å; L153-M155 VanDerWaalsContact C-N 3.32Å; L153-M155 PolarHBondContact O-N 2.89Å; L153-D156 PolarHBondContact O-N 3.07Å; L153-A157 VanDerWaalsContact O-CB 3.31Å; L153-A157 WeakPolarHBondContact O-CB 3.34Å; L153-A157 PolarHBondContact O-N 2.8Å
154D89.9Confident89.4Confident92 Ų9258.5 Ų58.549%0.49230%0.296SS..Hα-helixtrans-61.3-41.7174.6-65.3-32.1000111.5R150 L151 A157 A158R150-D154 PolarHBondContact O-N 3.47Å; L151-D154 PolarHBondContact O-N 3.04Å; D154-A157 PolarHBondContact O-N 2.93Å; D154-A158 PolarHBondContact O-N 2.88Å
155M90.5Very high88.5Confident20 Ų2058.4 Ų58.410%0.09930%0.297CS..Hα-helixtrans-67.6-46.2176.5-178.1-14267.500112.5L151 V152 L153 A157 A158 R159 L179 A182 L183 V186L151-M155 WeakPolarHBondContact O-CB 3.45Å; L151-M155 PolarHBondContact O-N 3.38Å; V152-M155 PolarHBondContact O-N 3.14Å; L153-M155 VanDerWaalsContact C-N 3.32Å; L153-M155 PolarHBondContact O-N 2.89Å; M155-A157 VanDerWaalsContact C-N 3.25Å; M155-A157 PolarHBondContact O-N 3.46Å; M155-A158 PolarHBondContact O-N 3.47Å; M155-R159 VanDerWaalsContact O-CB 3.25Å; M155-R159 WeakPolarHBondContact O-CB 3.33Å; M155-R159 PolarHBondContact O-N 3.45Å; M155-L179 HydrophobicContact CG-CD1 4.18Å; M155-A182 HydrophobicContact CB-CB 3.96Å; M155-A182 HydrophobicContact CG-CB 4.24Å; M155-L183 HydrophobicContact CG-CD2 4.08Å; M155-L183 HydrophobicContact CG-CG 4.3Å; M155-L183 HydrophobicContact SD-CD2 3.66Å; M155-L183 HydrophobicContact SD-CG 4.5Å; M155-V186 HydrophobicContact CB-CG2 3.82Å; M155-V186 HydrophobicContact CG-CG2 4.31Å; M155-V186 HydrophobicContact SD-CG2 4.21Å
156D89.3Confident87.5Confident41 Ų4162.7 Ų62.722%0.21932%0.317CS..Hα-helixtrans-63.3-33.3175.1-107-41.7000111.2R24 V152 L153 T160R24-D156 IonicContact CZ-OD1 2.79Å; R24-D156 IonicContact NE-OD1 2.69Å; R24-D156 PolarHBondContact NE-OD1 2.95Å; R24-D156 IonicContact NH2-OD1 2.66Å; R24-D156 PolarHBondContact NH2-OD1 3.27Å; V152-D156 PolarHBondContact O-N 3.06Å; L153-D156 PolarHBondContact O-N 3.07Å; D156-T160 VanDerWaalsContact O-CB 3.27Å; D156-T160 WeakPolarHBondContact O-CB 3.26Å; D156-T160 PolarHBondContact O-N 3.28Å; D156-T160 PolarHBondContact O-OG1 2.64Å
157A89.2Confident86.3Confident41 Ų4163.1 Ų63.134%0.33933%0.331SS..Hα-helixtrans-66.3-44.3172.900000112.1L153 D154 M155 T160 R161L153-A157 VanDerWaalsContact O-CB 3.31Å; L153-A157 WeakPolarHBondContact O-CB 3.34Å; L153-A157 PolarHBondContact O-N 2.8Å; D154-A157 PolarHBondContact O-N 2.93Å; M155-A157 VanDerWaalsContact C-N 3.25Å; M155-A157 PolarHBondContact O-N 3.46Å; A157-T160 PolarHBondContact O-N 3.42Å; A157-R161 WeakPolarHBondContact O-CG 3.39Å; A157-R161 PolarHBondContact O-N 3.12Å; A157-R161 PolarHBondContact O-NH1 3.32Å
158A86.9Confident84.9Confident1 Ų168.3 Ų68.31%0.00835%0.348CS..Hα-helixtrans-64.7-43.8174.600000112.1D154 M155 T160 R161 L162 L179 A182D154-A158 PolarHBondContact O-N 2.88Å; M155-A158 PolarHBondContact O-N 3.47Å; A158-T160 VanDerWaalsContact C-N 3.29Å; A158-T160 PolarHBondContact O-N 3.48Å; A158-R161 WeakPolarHBondContact O-CB 3.48Å; A158-R161 PolarHBondContact O-N 3.32Å; A158-L162 PolarHBondContact O-N 2.89Å; A158-L179 HydrophobicContact CB-CB 4.32Å; A158-L179 HydrophobicContact CB-CD1 4.24Å; A158-A182 HydrophobicContact CB-CB 4.47Å
159R87.4Confident83.4Confident74 Ų7471.3 Ų71.328%0.27938%0.38SS..Hα-helixtrans-58.7-40.5174.3178.9177.2-93.4-129.9-13.5111.4E23 M155 L162 S163 L179E23-R159 IonicContact OE2-CZ 2.69Å; E23-R159 IonicContact OE2-NH1 3.84Å; E23-R159 PolarHBondContact OE2-NH1 3.14Å; E23-R159 IonicContact OE2-NH2 2.91Å; E23-R159 PolarHBondContact OE2-NH2 3.48Å; M155-R159 VanDerWaalsContact O-CB 3.25Å; M155-R159 WeakPolarHBondContact O-CB 3.33Å; M155-R159 PolarHBondContact O-N 3.45Å; R159-L162 PolarHBondContact O-N 3.29Å; R159-S163 PolarHBondContact O-N 3.41Å; R159-S163 VanDerWaalsContact O-N 3.09Å; R159-L179 HydrophobicContact CB-CD1 3.91Å
160T87Confident81.8Confident74 Ų7471 Ų7145%0.45438%0.38SS..Hα-helixtrans-66.6-45.7174.5-58.30000111.4D156 A157 A158 L162 S163 A164D156-T160 VanDerWaalsContact O-CB 3.27Å; D156-T160 WeakPolarHBondContact O-CB 3.26Å; D156-T160 PolarHBondContact O-N 3.28Å; D156-T160 PolarHBondContact O-OG1 2.64Å; A157-T160 PolarHBondContact O-N 3.42Å; A158-T160 VanDerWaalsContact C-N 3.29Å; A158-T160 PolarHBondContact O-N 3.48Å; T160-L162 VanDerWaalsContact C-N 3.32Å; T160-L162 PolarHBondContact O-N 3.44Å; T160-S163 PolarHBondContact O-N 2.65Å; T160-S163 PolarHBondContact O-OG 3.19Å; T160-A164 PolarHBondContact O-N 3.16Å
161R85.1Confident80.1Confident103 Ų10374.9 Ų74.939%0.38940%0.401SS..Hα-helixtrans-55.9-44.8173.9-73.8-167.9-63.7-81.913.9111.8A157 A158 A164 G165 I175 E178A157-R161 WeakPolarHBondContact O-CG 3.39Å; A157-R161 PolarHBondContact O-N 3.12Å; A157-R161 PolarHBondContact O-NH1 3.32Å; A158-R161 WeakPolarHBondContact O-CB 3.48Å; A158-R161 PolarHBondContact O-N 3.32Å; R161-A164 PolarHBondContact O-N 3.28Å; R161-G165 PolarHBondContact O-N 2.97Å; R161-I175 HydrophobicContact CB-CG2 3.96Å; R161-E178 IonicContact CZ-OE2 3.36Å; R161-E178 IonicContact NE-OE2 3.19Å; R161-E178 PolarHBondContact NE-OE2 2.74Å; R161-E178 VanDerWaalsContact NH2-CD 3.29Å; R161-E178 IonicContact NH2-OE1 3.9Å; R161-E178 PolarHBondContact NH2-OE1 3.3Å; R161-E178 IonicContact NH2-OE2 2.76Å; R161-E178 PolarHBondContact NH2-OE2 3.24Å
162L83.2Confident78.9Confident28 Ų2875.2 Ų75.215%0.14741%0.405CS..Hα-helixtrans-62.4-44.9178.5-173.560000112.1A158 R159 T160 A164 G165 Q166 I175 Q176 L179A158-L162 PolarHBondContact O-N 2.89Å; R159-L162 PolarHBondContact O-N 3.29Å; T160-L162 VanDerWaalsContact C-N 3.32Å; T160-L162 PolarHBondContact O-N 3.44Å; L162-A164 VanDerWaalsContact C-N 3.27Å; L162-A164 PolarHBondContact O-N 3.12Å; L162-G165 PolarHBondContact O-N 3.16Å; L162-Q166 WeakPolarHBondContact O-CG 3.13Å; L162-Q166 PolarHBondContact O-N 3.35Å; L162-I175 HydrophobicContact CB-CG2 3.85Å; L162-I175 HydrophobicContact CD1-CG2 4.1Å; L162-Q176 HydrophobicContact CD1-CG 3.67Å; L162-Q176 HydrophobicContact CD2-CG 4.34Å; L162-L179 HydrophobicContact CD2-CD2 3.54Å
163S81.3Confident78.3Confident66 Ų6681.4 Ų81.446%0.46243%0.433SS..Hα-helixtrans-63.6-32.2177.873.50000113R159 T160 S167R159-S163 PolarHBondContact O-N 3.41Å; R159-S163 VanDerWaalsContact O-N 3.09Å; T160-S163 PolarHBondContact O-N 2.65Å; T160-S163 PolarHBondContact O-OG 3.19Å; S163-S167 PolarHBondContact O-N 3.44Å
164A82.8Confident77.8Confident46 Ų4681.7 Ų81.738%0.3843%0.431SS..Hα-helixtrans-73.9-37.917400000112.4T160 R161 L162 S167 R168T160-A164 PolarHBondContact O-N 3.16Å; R161-A164 PolarHBondContact O-N 3.28Å; L162-A164 VanDerWaalsContact C-N 3.27Å; L162-A164 PolarHBondContact O-N 3.12Å; A164-S167 PolarHBondContact O-N 2.98Å; A164-S167 PolarHBondContact O-OG 3.12Å; A164-R168 PolarHBondContact O-N 3.01Å
165G74.9Confident77.3Confident8 Ų879 Ų798%0.08242%0.416CS..Hα-helixtrans-65.7-42.4174.400000112.5R161 L162 S167 R168 G169 E170R161-G165 PolarHBondContact O-N 2.97Å; L162-G165 PolarHBondContact O-N 3.16Å; G165-S167 VanDerWaalsContact C-N 3.29Å; G165-S167 PolarHBondContact O-N 3.29Å; G165-R168 PolarHBondContact O-N 3.47Å; G165-G169 PolarHBondContact O-N 3.41Å; G165-E170 PolarHBondContact O-N 3.32Å
166Q71.8Confident77Confident129 Ų12982.7 Ų82.760%0.60343%0.433SS*.Hα-helixtrans-58.5-38.4174.6-74.8176.5-13.400112.6L162 R168 G169L162-Q166 WeakPolarHBondContact O-CG 3.13Å; L162-Q166 PolarHBondContact O-N 3.35Å; Q166-R168 PolarHBondContact O-N 3.31Å; Q166-G169 PolarHBondContact O-N 3.45Å
167S67.9Low76.9Confident103 Ų10385.2 Ų85.272%0.7245%0.446SS*.Hα-helixtrans-71.4-13.4176.875.50000114.3S163 A164 G165S163-S167 PolarHBondContact O-N 3.44Å; A164-S167 PolarHBondContact O-N 2.98Å; A164-S167 PolarHBondContact O-OG 3.12Å; G165-S167 VanDerWaalsContact C-N 3.29Å; G165-S167 PolarHBondContact O-N 3.29Å
168R65Low76.9Confident193 Ų19386.4 Ų86.473%0.72845%0.445SS*.Hα-helixtrans-96.9-6.5173.8-68.8-179.5171.2-165.4-3.3114.1A164 G165 Q166 E170A164-R168 PolarHBondContact O-N 3.01Å; G165-R168 PolarHBondContact O-N 3.47Å; Q166-R168 PolarHBondContact O-N 3.31Å; R168-E170 HydrophobicContact CB-CG 4.24Å; R168-E170 PolarHBondContact O-N 3.04Å
169G60.6Low76.9Confident66 Ų6687.4 Ų87.468%0.6845%0.45SS*.THydrogen-bonded Turntrans76.25.3-176.100000114.6G165 Q166 K171G165-G169 PolarHBondContact O-N 3.41Å; Q166-G169 PolarHBondContact O-N 3.45Å; G169-K171 PolarHBondContact O-N 3.49Å
170E58.6Low77.1Confident118 Ų11886.3 Ų86.355%0.55146%0.456SS*.  trans-81.6110.1-178.8-67.1173.7142.600110G165 R168 S172G165-E170 PolarHBondContact O-N 3.32Å; R168-E170 HydrophobicContact CB-CG 4.24Å; R168-E170 PolarHBondContact O-N 3.04Å; E170-S172 PolarHBondContact O-N 2.77Å
171K58.1Low77.4Confident198 Ų19887 Ų8786%0.86146%0.458SS*.  trans-7276.5170.1-72.7-170.8178.5-175.30110.5G169 E173G169-K171 PolarHBondContact O-N 3.49Å; K171-E173 PolarHBondContact O-N 3.32Å
172S66.2Low77.6Confident37 Ų3782.7 Ų82.726%0.25944%0.444SS..  trans-83.991.6174.1-167.50000110.7E170 H174 I175 Q176E170-S172 PolarHBondContact O-N 2.77Å; S172-H174 PolarHBondContact O-N 3.08Å; S172-I175 PolarHBondContact O-N 2.72Å; S172-I175 WeakPolarHBondContact OG-CG1 3.42Å; S172-Q176 PolarHBondContact O-N 2.72Å
173E76.9Confident78Confident149 Ų14984.3 Ų84.370%0.69645%0.452SS*.Hα-helixtrans-54.6-40171.4-64.5176152.800110.4K171 I175 Q176 D177K171-E173 PolarHBondContact O-N 3.32Å; E173-I175 VanDerWaalsContact C-N 3.33Å; E173-I175 PolarHBondContact O-N 2.98Å; E173-Q176 CarbonylContact O-C 3.59Å; E173-Q176 WeakPolarHBondContact O-CA 3.38Å; E173-Q176 WeakPolarHBondContact O-CB 3.06Å; E173-Q176 PolarHBondContact O-N 2.94Å; E173-D177 PolarHBondContact O-N 2.63Å
174H81.7Confident78.5Confident129 Ų12985.1 Ų85.160%0.59745%0.454SS*.Hα-helixtrans-56.2-39.7176.3-174.147.9000114.1S172 Q176 D177 E178S172-H174 PolarHBondContact O-N 3.08Å; H174-Q176 VanDerWaalsContact C-N 3.33Å; H174-D177 PolarHBondContact O-N 3.28Å; H174-E178 WeakPolarHBondContact O-CG 3.42Å; H174-E178 PolarHBondContact O-N 3.2Å
175I79.1Confident79Confident34 Ų3489.9 Ų89.917%0.17446%0.462CS..Hα-helixtrans-75.5-25.2177.4-62.4171.6000111.2R161 L162 S172 E173 L179R161-I175 HydrophobicContact CB-CG2 3.96Å; L162-I175 HydrophobicContact CB-CG2 3.85Å; L162-I175 HydrophobicContact CD1-CG2 4.1Å; S172-I175 PolarHBondContact O-N 2.72Å; S172-I175 WeakPolarHBondContact OG-CG1 3.42Å; E173-I175 VanDerWaalsContact C-N 3.33Å; E173-I175 PolarHBondContact O-N 2.98Å; I175-L179 PolarHBondContact O-N 3.16Å; I175-L179 VanDerWaalsContact O-N 3.13Å
176Q84.5Confident79.8Confident98 Ų9889.6 Ų89.646%0.45846%0.459SS..Hα-helixtrans-70.1-42.2170.1-62.3179.3-4.300110.6L162 S172 E173 H174 L179 A180L162-Q176 HydrophobicContact CD1-CG 3.67Å; L162-Q176 HydrophobicContact CD2-CG 4.34Å; S172-Q176 PolarHBondContact O-N 2.72Å; E173-Q176 CarbonylContact O-C 3.59Å; E173-Q176 WeakPolarHBondContact O-CA 3.38Å; E173-Q176 WeakPolarHBondContact O-CB 3.06Å; E173-Q176 PolarHBondContact O-N 2.94Å; H174-Q176 VanDerWaalsContact C-N 3.33Å; Q176-L179 PolarHBondContact O-N 3.44Å; Q176-A180 WeakPolarHBondContact O-CB 3.42Å; Q176-A180 PolarHBondContact O-N 2.53Å
177D87.7Confident80.7Confident94 Ų9487.2 Ų87.250%0.50345%0.448SS..Hα-helixtrans-63-41.9172.8-70.4-29.8000112.2E173 H174 L179 A180 N181E173-D177 PolarHBondContact O-N 2.63Å; H174-D177 PolarHBondContact O-N 3.28Å; D177-L179 VanDerWaalsContact C-N 3.33Å; D177-L179 PolarHBondContact O-N 3.49Å; D177-A180 PolarHBondContact O-N 3.43Å; D177-N181 WeakPolarHBondContact O-CB 3.49Å; D177-N181 PolarHBondContact O-N 3.39Å; D177-N181 PolarHBondContact O-ND2 3.14Å
178E88Confident81.9Confident67 Ų6786.7 Ų86.731%0.31344%0.437SS..Hα-helixtrans-56-47.7172.7-77.4-163.1138.100111.3R161 H174 N181 A182R161-E178 IonicContact CZ-OE2 3.36Å; R161-E178 IonicContact NE-OE2 3.19Å; R161-E178 PolarHBondContact NE-OE2 2.74Å; R161-E178 VanDerWaalsContact NH2-CD 3.29Å; R161-E178 IonicContact NH2-OE1 3.9Å; R161-E178 PolarHBondContact NH2-OE1 3.3Å; R161-E178 IonicContact NH2-OE2 2.76Å; R161-E178 PolarHBondContact NH2-OE2 3.24Å; H174-E178 WeakPolarHBondContact O-CG 3.42Å; H174-E178 PolarHBondContact O-N 3.2Å; E178-N181 PolarHBondContact O-N 3.42Å; E178-A182 WeakPolarHBondContact O-CB 3.38Å; E178-A182 PolarHBondContact O-N 2.84Å
179L88.3Confident83.2Confident22 Ų2277.7 Ų77.712%0.11540%0.403CS..Hα-helixtrans-67.5-42.3-179.6179.258.4000111.9M155 A158 R159 L162 I175 Q176 D177 A182 L183M155-L179 HydrophobicContact CG-CD1 4.18Å; A158-L179 HydrophobicContact CB-CB 4.32Å; A158-L179 HydrophobicContact CB-CD1 4.24Å; R159-L179 HydrophobicContact CB-CD1 3.91Å; L162-L179 HydrophobicContact CD2-CD2 3.54Å; I175-L179 PolarHBondContact O-N 3.16Å; I175-L179 VanDerWaalsContact O-N 3.13Å; Q176-L179 PolarHBondContact O-N 3.44Å; D177-L179 VanDerWaalsContact C-N 3.33Å; D177-L179 PolarHBondContact O-N 3.49Å; L179-A182 PolarHBondContact O-N 3.26Å; L179-L183 HydrophobicContact CD1-CD1 4.21Å; L179-L183 HydrophobicContact CD1-CG 4.18Å; L179-L183 HydrophobicContact CG-CD1 3.99Å; L179-L183 HydrophobicContact CG-CG 4.46Å; L179-L183 WeakPolarHBondContact O-CB 3.48Å; L179-L183 VanDerWaalsContact O-CG 3.3Å; L179-L183 WeakPolarHBondContact O-CG 3.48Å; L179-L183 PolarHBondContact O-N 2.94Å
180A91.1Very high84.7Confident50 Ų5076.4 Ų76.441%0.41338%0.379SS..Hα-helixtrans-60.9-44.917600000111.5Q176 D177 A182 L183 V184Q176-A180 WeakPolarHBondContact O-CB 3.42Å; Q176-A180 PolarHBondContact O-N 2.53Å; D177-A180 PolarHBondContact O-N 3.43Å; A180-A182 PolarHBondContact O-N 3.1Å; A180-L183 PolarHBondContact O-N 3.25Å; A180-V184 WeakPolarHBondContact O-CG2 3.42Å; A180-V184 PolarHBondContact O-N 3.43Å
181N91.9Very high86.3Confident90 Ų9075.6 Ų75.648%0.48138%0.379SS..Hα-helixtrans-64.3-37.6174.8-81.9-80.1000112.5D177 E178 R185D177-N181 WeakPolarHBondContact O-CB 3.49Å; D177-N181 PolarHBondContact O-N 3.39Å; D177-N181 PolarHBondContact O-ND2 3.14Å; E178-N181 PolarHBondContact O-N 3.42Å; N181-R185 WeakPolarHBondContact O-CD 3.41Å; N181-R185 WeakPolarHBondContact O-CG 3.22Å; N181-R185 PolarHBondContact O-N 3.3Å; N181-R185 VanDerWaalsContact O-N 3.15Å
182A90.5Very high88.1Confident11 Ų1170 Ų709%0.09136%0.357CS..Hα-helixtrans-68.1-42.4176.600000112.1M155 A158 E178 L179 A180 R185 V186M155-A182 HydrophobicContact CB-CB 3.96Å; M155-A182 HydrophobicContact CG-CB 4.24Å; A158-A182 HydrophobicContact CB-CB 4.47Å; E178-A182 WeakPolarHBondContact O-CB 3.38Å; E178-A182 PolarHBondContact O-N 2.84Å; L179-A182 PolarHBondContact O-N 3.26Å; A180-A182 PolarHBondContact O-N 3.1Å; A182-R185 PolarHBondContact O-N 2.9Å; A182-V186 WeakPolarHBondContact O-CG2 3.31Å; A182-V186 PolarHBondContact O-N 3.11Å
183L91.2Very high89.4Confident62 Ų6268.2 Ų68.233%0.32535%0.345SS..Hα-helixtrans-58.6-50.8174.7-74.8163.5000111.4M155 L179 A180 R185 V186 E187M155-L183 HydrophobicContact CG-CD2 4.08Å; M155-L183 HydrophobicContact CG-CG 4.3Å; M155-L183 HydrophobicContact SD-CD2 3.66Å; M155-L183 HydrophobicContact SD-CG 4.5Å; L179-L183 HydrophobicContact CD1-CD1 4.21Å; L179-L183 HydrophobicContact CD1-CG 4.18Å; L179-L183 HydrophobicContact CG-CD1 3.99Å; L179-L183 HydrophobicContact CG-CG 4.46Å; L179-L183 WeakPolarHBondContact O-CB 3.48Å; L179-L183 VanDerWaalsContact O-CG 3.3Å; L179-L183 WeakPolarHBondContact O-CG 3.48Å; L179-L183 PolarHBondContact O-N 2.94Å; A180-L183 PolarHBondContact O-N 3.25Å; L183-R185 VanDerWaalsContact C-N 3.26Å; L183-R185 PolarHBondContact O-N 2.91Å; L183-V186 PolarHBondContact O-N 3.24Å; L183-E187 PolarHBondContact O-N 2.96Å
184V92.6Very high90.2Very high84 Ų8461.9 Ų61.951%0.50932%0.318SS..Hα-helixtrans-59.1-36.7177.5172.50000111.9A180 N188A180-V184 WeakPolarHBondContact O-CG2 3.42Å; A180-V184 PolarHBondContact O-N 3.43Å; V184-N188 VanDerWaalsContact O-CB 3.25Å; V184-N188 WeakPolarHBondContact O-CB 3.44Å; V184-N188 PolarHBondContact O-N 3.38Å; V184-N188 PolarHBondContact O-ND2 3.21Å
185R93.3Very high90.8Very high146 Ų14660.3 Ų60.355%0.55132%0.317SS*.Hα-helixtrans-68.2-37.8174.6-69.8167.8-170.5-175.15112.8L151 N181 A182 L183 C189L151-R185 HydrophobicContact CD1-CB 4.48Å; L151-R185 HydrophobicContact CD2-CB 4.12Å; N181-R185 WeakPolarHBondContact O-CD 3.41Å; N181-R185 WeakPolarHBondContact O-CG 3.22Å; N181-R185 PolarHBondContact O-N 3.3Å; N181-R185 VanDerWaalsContact O-N 3.15Å; A182-R185 PolarHBondContact O-N 2.9Å; L183-R185 VanDerWaalsContact C-N 3.26Å; L183-R185 PolarHBondContact O-N 2.91Å; R185-C189 VanDerWaalsContact O-CB 3.27Å; R185-C189 WeakPolarHBondContact O-CB 3.33Å; R185-C189 PolarHBondContact O-N 3.31Å; R185-C189 VanDerWaalsContact O-N 3.14Å
186V90.7Very high91.5Very high2 Ų260.7 Ų60.71%0.01232%0.319CS..Hα-helixtrans-66.6-50.9176.6169.10000110.5L148 L151 V152 M155 A182 L183 C189 K190L148-V186 HydrophobicContact CD1-CG1 4.3Å; L151-V186 HydrophobicContact CB-CG2 3.99Å; L151-V186 WeakPolarHBondContact O-CG2 3.4Å; V152-V186 HydrophobicContact CG2-CG1 3.97Å; V152-V186 HydrophobicContact CG2-CG2 4.21Å; M155-V186 HydrophobicContact CB-CG2 3.82Å; M155-V186 HydrophobicContact CG-CG2 4.31Å; M155-V186 HydrophobicContact SD-CG2 4.21Å; A182-V186 WeakPolarHBondContact O-CG2 3.31Å; A182-V186 PolarHBondContact O-N 3.11Å; L183-V186 PolarHBondContact O-N 3.24Å; V186-C189 CarbonylContact O-C 3.59Å; V186-C189 PolarHBondContact O-N 2.99Å; V186-K190 HydrophobicContact CG1-CD 4.4Å; V186-K190 PolarHBondContact O-N 3.42Å
187E90.2Very high92Very high79 Ų7956.1 Ų56.137%0.36930%0.297SS..Hα-helixtrans-63.2-47.5-179.7-58.2-46.1113.600111.7L183 C189 K190 D191L183-E187 PolarHBondContact O-N 2.96Å; E187-C189 PolarHBondContact O-N 3Å; E187-C189 VanDerWaalsContact O-N 3.08Å; E187-K190 WeakPolarHBondContact O-CB 3.47Å; E187-K190 PolarHBondContact O-N 2.9Å; E187-K190 WeakPolarHBondContact OE1-CE 3.32Å; E187-K190 IonicContact OE1-NZ 2.73Å; E187-K190 PolarHBondContact OE1-NZ 2.64Å; E187-K190 VanDerWaalsContact OE2-CD 3.23Å; E187-K190 WeakPolarHBondContact OE2-CD 3.1Å; E187-K190 IonicContact OE2-NZ 3.17Å; E187-K190 PolarHBondContact OE2-NZ 2.82Å; E187-D191 PolarHBondContact O-N 3.05Å
188N93.2Very high92.4Very high92 Ų9256.7 Ų56.749%0.49230%0.295SS..Hα-helixtrans-56.6-30.6173.6-71.4-10.5000112.8V184 I192V184-N188 VanDerWaalsContact O-CB 3.25Å; V184-N188 WeakPolarHBondContact O-CB 3.44Å; V184-N188 PolarHBondContact O-N 3.38Å; V184-N188 PolarHBondContact O-ND2 3.21Å; N188-I192 WeakPolarHBondContact O-CD1 3.4Å; N188-I192 VanDerWaalsContact O-CG1 3.24Å; N188-I192 WeakPolarHBondContact O-CG1 3.31Å; N188-I192 PolarHBondContact O-N 3.06Å
189C93.4Very high92.8Very high3 Ų356.7 Ų56.72%0.0230%0.303CS..Hα-helixtrans-83.7-27.3177.1-161.50000113.3L148 L151 R185 V186 E187 F193L148-C189 HydrophobicContact CD1-CB 4.15Å; L151-C189 HydrophobicContact CD1-CB 3.63Å; R185-C189 VanDerWaalsContact O-CB 3.27Å; R185-C189 WeakPolarHBondContact O-CB 3.33Å; R185-C189 PolarHBondContact O-N 3.31Å; R185-C189 VanDerWaalsContact O-N 3.14Å; V186-C189 CarbonylContact O-C 3.59Å; V186-C189 PolarHBondContact O-N 2.99Å; E187-C189 PolarHBondContact O-N 3Å; E187-C189 VanDerWaalsContact O-N 3.08Å; C189-F193 VanDerWaalsContact O-CB 3.27Å; C189-F193 WeakPolarHBondContact O-CB 3.19Å; C189-F193 PolarHBondContact O-N 3.38Å
190K92Very high93.1Very high40 Ų4055.7 Ų55.717%0.17430%0.298CS..Hα-helixtrans-64.8-45.2167.3-73.5170.1169.7172.70110.4E26 V27 L148 V186 E187 F193 A194E26-K190 WeakPolarHBondContact O-CE 3.43Å; E26-K190 PolarHBondContact O-NZ 3.11Å; V27-K190 WeakPolarHBondContact O-CE 3.35Å; L148-K190 HydrophobicContact CD1-CG 3.91Å; L148-K190 HydrophobicContact CD2-CG 4.3Å; V186-K190 HydrophobicContact CG1-CD 4.4Å; V186-K190 PolarHBondContact O-N 3.42Å; E187-K190 WeakPolarHBondContact O-CB 3.47Å; E187-K190 PolarHBondContact O-N 2.9Å; E187-K190 WeakPolarHBondContact OE1-CE 3.32Å; E187-K190 IonicContact OE1-NZ 2.73Å; E187-K190 PolarHBondContact OE1-NZ 2.64Å; E187-K190 VanDerWaalsContact OE2-CD 3.23Å; E187-K190 WeakPolarHBondContact OE2-CD 3.1Å; E187-K190 IonicContact OE2-NZ 3.17Å; E187-K190 PolarHBondContact OE2-NZ 2.82Å; K190-F193 WeakPolarHBondContact O-CB 3.45Å; K190-F193 PolarHBondContact O-N 2.79Å; K190-A194 WeakPolarHBondContact O-CB 3.47Å; K190-A194 PolarHBondContact O-N 3.17Å
191D92.4Very high93.3Very high101 Ų10154.9 Ų54.954%0.5429%0.291SS..Hα-helixtrans-63-43.7-179.9-73.2-20.3000111.9E187 T195E187-D191 PolarHBondContact O-N 3.05Å; D191-T195 VanDerWaalsContact O-CB 3.27Å; D191-T195 WeakPolarHBondContact O-CB 3.44Å; D191-T195 PolarHBondContact O-N 3Å; D191-T195 PolarHBondContact O-OG1 3.07Å
192I94.9Very high93.4Very high79 Ų7954.9 Ų54.941%0.40530%0.298SS..Hα-helixtrans-61.7-47.4173.2-65.8164.4000110.3T144 N188 A194 T195 E196T144-I192 HydrophobicContact CG2-CG2 4.01Å; N188-I192 WeakPolarHBondContact O-CD1 3.4Å; N188-I192 VanDerWaalsContact O-CG1 3.24Å; N188-I192 WeakPolarHBondContact O-CG1 3.31Å; N188-I192 PolarHBondContact O-N 3.06Å; I192-A194 PolarHBondContact O-N 2.69Å; I192-T195 PolarHBondContact O-N 3.07Å; I192-E196 WeakPolarHBondContact O-CG 3.13Å; I192-E196 PolarHBondContact O-N 3.21Å
193F93.8Very high93.7Very high1 Ų156.6 Ų56.60%0.00430%0.302CS..Hα-helixtrans-59.5-47.2179.2179.1-107.6000112.3L32 E36 I141 T144 K145 L148 C189 K190 T195 E196 V197L32-F193 HydrophobicContact CD2-CD1 4.15Å; L32-F193 HydrophobicContact CD2-CE1 4.28Å; L32-F193 HydrophobicContact CG-CE1 4.5Å; E36-F193 HydrophobicContact CG-CZ 4.16Å; E36-F193 WeakPolarHBondContact OE2-CE1 3.4Å; E36-F193 WeakPolarHBondContact OE2-CZ 3.42Å; I141-F193 HydrophobicContact CG2-CE2 3.73Å; I141-F193 HydrophobicContact CG2-CZ 4.41Å; T144-F193 HydrophobicContact CG2-CB 3.79Å; T144-F193 HydrophobicContact CG2-CD2 4.19Å; K145-F193 HydrophobicContact CB-CD2 4.28Å; K145-F193 HydrophobicContact CB-CE2 3.75Å; K145-F193 HydrophobicContact CB-CZ 4.5Å; K145-F193 HydrophobicContact CD-CE2 4.48Å; K145-F193 HydrophobicContact CG-CE2 4.37Å; L148-F193 HydrophobicContact CD2-CB 4.34Å; L148-F193 HydrophobicContact CD2-CD1 4.29Å; L148-F193 HydrophobicContact CD2-CG 4.32Å; C189-F193 VanDerWaalsContact O-CB 3.27Å; C189-F193 WeakPolarHBondContact O-CB 3.19Å; C189-F193 PolarHBondContact O-N 3.38Å; K190-F193 WeakPolarHBondContact O-CB 3.45Å; K190-F193 PolarHBondContact O-N 2.79Å; F193-T195 VanDerWaalsContact C-N 3.33Å; F193-T195 PolarHBondContact O-N 3.41Å; F193-E196 PolarHBondContact O-N 3.23Å; F193-V197 HydrophobicContact CD1-CG2 4.48Å; F193-V197 HydrophobicContact CD2-CG2 4.41Å; F193-V197 HydrophobicContact CE1-CG2 3.97Å; F193-V197 HydrophobicContact CE2-CG2 3.89Å; F193-V197 HydrophobicContact CZ-CG2 3.62Å; F193-V197 WeakPolarHBondContact O-CB 3.37Å; F193-V197 VanDerWaalsContact O-CG2 3.3Å; F193-V197 WeakPolarHBondContact O-CG2 3.45Å; F193-V197 PolarHBondContact O-N 3.37Å
194A93Very high93.8Very high16 Ų1657.5 Ų57.513%0.13231%0.305CS..Hα-helixtrans-62.8-40.2176.500000111.5L32 K190 I192 V197 F198L32-A194 HydrophobicContact CD1-CB 4.05Å; L32-A194 HydrophobicContact CD2-CB 3.97Å; K190-A194 WeakPolarHBondContact O-CB 3.47Å; K190-A194 PolarHBondContact O-N 3.17Å; I192-A194 PolarHBondContact O-N 2.69Å; A194-V197 PolarHBondContact O-N 3.33Å; A194-F198 HydrophobicContact CB-CD2 4.26Å; A194-F198 HydrophobicContact CB-CE2 3.98Å; A194-F198 WeakPolarHBondContact O-CB 3.29Å; A194-F198 WeakPolarHBondContact O-CD2 3.5Å; A194-F198 WeakPolarHBondContact O-CG 3.01Å; A194-F198 PolarHBondContact O-N 3.49Å
195T94.5Very high94Very high95 Ų9558.2 Ų58.258%0.58331%0.309SS*.Hα-helixtrans-62.8-44.5176.5-59.30000111.8D191 I192 F193 S199D191-T195 VanDerWaalsContact O-CB 3.27Å; D191-T195 WeakPolarHBondContact O-CB 3.44Å; D191-T195 PolarHBondContact O-N 3Å; D191-T195 PolarHBondContact O-OG1 3.07Å; I192-T195 PolarHBondContact O-N 3.07Å; F193-T195 VanDerWaalsContact C-N 3.33Å; F193-T195 PolarHBondContact O-N 3.41Å; T195-S199 WeakPolarHBondContact O-CB 3.41Å; T195-S199 PolarHBondContact O-N 3.16Å
196E95.5Very high94.1Very high43 Ų4355 Ų5520%0.20130%0.301CS..Hα-helixtrans-65.4-42.1176.2-67.6-175.2126.600112S140 I141 T144 I192 F193 S199 L200S140-E196 VanDerWaalsContact CB-OE1 3.25Å; S140-E196 WeakPolarHBondContact CB-OE1 3.37Å; S140-E196 PolarHBondContact OG-OE1 3.11Å; I141-E196 HydrophobicContact CG1-CB 3.64Å; T144-E196 WeakPolarHBondContact CB-OE2 3.32Å; T144-E196 PolarHBondContact OG1-OE2 3.39Å; I192-E196 WeakPolarHBondContact O-CG 3.13Å; I192-E196 PolarHBondContact O-N 3.21Å; F193-E196 PolarHBondContact O-N 3.23Å; E196-S199 WeakPolarHBondContact O-CB 3.44Å; E196-S199 PolarHBondContact O-N 3.49Å; E196-L200 PolarHBondContact O-N 3.3Å
197V94.9Very high94.4Very high1 Ų155.4 Ų55.41%0.00630%0.302CS..Hα-helixtrans-61.7-53.2175.9165.80000111.2L32 V35 I39 I141 F193 A194 S199 L200 A201L32-V197 HydrophobicContact CD1-CB 4.1Å; L32-V197 HydrophobicContact CD1-CG1 3.68Å; V35-V197 HydrophobicContact CB-CG1 4.3Å; V35-V197 HydrophobicContact CG1-CG1 3.7Å; I39-V197 HydrophobicContact CD1-CB 4.42Å; I39-V197 HydrophobicContact CD1-CG1 3.79Å; I39-V197 WeakPolarHBondContact CD1-O 3.42Å; I141-V197 HydrophobicContact CG2-CG2 3.91Å; F193-V197 HydrophobicContact CD1-CG2 4.48Å; F193-V197 HydrophobicContact CD2-CG2 4.41Å; F193-V197 HydrophobicContact CE1-CG2 3.97Å; F193-V197 HydrophobicContact CE2-CG2 3.89Å; F193-V197 HydrophobicContact CZ-CG2 3.62Å; F193-V197 WeakPolarHBondContact O-CB 3.37Å; F193-V197 VanDerWaalsContact O-CG2 3.3Å; F193-V197 WeakPolarHBondContact O-CG2 3.45Å; F193-V197 PolarHBondContact O-N 3.37Å; A194-V197 PolarHBondContact O-N 3.33Å; V197-S199 VanDerWaalsContact C-N 3.3Å; V197-S199 PolarHBondContact O-N 2.91Å; V197-L200 PolarHBondContact O-N 2.79Å; V197-A201 WeakPolarHBondContact O-CB 3.41Å; V197-A201 PolarHBondContact O-N 3.16Å
198F95.1Very high94.7Very high106 Ų10654.5 Ų54.547%0.46531%0.308SS..Hα-helixtrans-65.9-32.6178.2-63.8-47.7000112.6L32 V35 A194 A201 S202L32-F198 HydrophobicContact CD1-CE1 4.19Å; L32-F198 HydrophobicContact CD1-CE2 4.25Å; L32-F198 HydrophobicContact CD1-CZ 3.87Å; V35-F198 HydrophobicContact CB-CE1 4.49Å; V35-F198 HydrophobicContact CG1-CD1 4.2Å; V35-F198 HydrophobicContact CG1-CE1 4.34Å; V35-F198 HydrophobicContact CG2-CE1 4.34Å; A194-F198 HydrophobicContact CB-CD2 4.26Å; A194-F198 HydrophobicContact CB-CE2 3.98Å; A194-F198 WeakPolarHBondContact O-CB 3.29Å; A194-F198 WeakPolarHBondContact O-CD2 3.5Å; A194-F198 WeakPolarHBondContact O-CG 3.01Å; A194-F198 PolarHBondContact O-N 3.49Å; F198-A201 PolarHBondContact O-N 2.92Å; F198-S202 PolarHBondContact O-N 3.06Å
199S95.5Very high94.8Very high67 Ų6755.6 Ų55.647%0.46931%0.31SS..Hα-helixtrans-59.6-51.2172.6-179.50000110.9T195 E196 V197 A201 S202 R203T195-S199 WeakPolarHBondContact O-CB 3.41Å; T195-S199 PolarHBondContact O-N 3.16Å; E196-S199 WeakPolarHBondContact O-CB 3.44Å; E196-S199 PolarHBondContact O-N 3.49Å; V197-S199 VanDerWaalsContact C-N 3.3Å; V197-S199 PolarHBondContact O-N 2.91Å; S199-A201 PolarHBondContact O-N 3.33Å; S199-S202 PolarHBondContact O-N 3.01Å; S199-S202 PolarHBondContact O-OG 2.89Å; S199-R203 WeakPolarHBondContact O-CG 3.41Å
200L95.8Very high95Very high2 Ų255.7 Ų55.71%0.0131%0.311CS..Hα-helixtrans-71-31.9179.3-171.154000112.7I39 V43 F134 A137 I141 E196 V197 S202 R203 M207I39-L200 HydrophobicContact CD1-CB 4.42Å; I39-L200 HydrophobicContact CG2-CB 4.34Å; I39-L200 HydrophobicContact CG2-CD2 3.58Å; I39-L200 HydrophobicContact CG2-CG 3.78Å; V43-L200 HydrophobicContact CG2-CD2 4.11Å; F134-L200 HydrophobicContact CB-CD1 4.46Å; F134-L200 HydrophobicContact CD1-CD1 3.97Å; A137-L200 HydrophobicContact CB-CD1 3.94Å; A137-L200 HydrophobicContact CB-CD2 3.9Å; A137-L200 HydrophobicContact CB-CG 4.37Å; I141-L200 HydrophobicContact CD1-CB 3.83Å; I141-L200 HydrophobicContact CD1-CD2 3.6Å; I141-L200 HydrophobicContact CD1-CG 4.35Å; E196-L200 PolarHBondContact O-N 3.3Å; V197-L200 PolarHBondContact O-N 2.79Å; L200-S202 VanDerWaalsContact C-N 3.3Å; L200-S202 PolarHBondContact O-N 3.49Å; L200-R203 PolarHBondContact O-N 3.47Å; L200-M207 HydrophobicContact CD1-CE 3.55Å; L200-M207 HydrophobicContact CG-CE 4.06Å
201A94.6Very high95.2Very high32 Ų3257.9 Ų57.926%0.26432%0.321SS..Hα-helixtrans-58.5-40.7171.200000112.4V35 I39 V197 F198 S199 R203 E204V35-A201 HydrophobicContact CG1-CB 3.86Å; I39-A201 HydrophobicContact CD1-CB 3.9Å; I39-A201 HydrophobicContact CG1-CB 4.22Å; V197-A201 WeakPolarHBondContact O-CB 3.41Å; V197-A201 PolarHBondContact O-N 3.16Å; F198-A201 PolarHBondContact O-N 2.92Å; S199-A201 PolarHBondContact O-N 3.33Å; A201-R203 PolarHBondContact O-N 3.4Å; A201-R203 VanDerWaalsContact O-N 3.13Å; A201-E204 PolarHBondContact O-N 3.35Å
202S95.1Very high95.4Very high91 Ų9155.4 Ų55.464%0.63631%0.311SS*.Hα-helixtrans-65.2-16.5-176.975.70000114F198 S199 L200F198-S202 PolarHBondContact O-N 3.06Å; S199-S202 PolarHBondContact O-N 3.01Å; S199-S202 PolarHBondContact O-OG 2.89Å; L200-S202 VanDerWaalsContact C-N 3.3Å; L200-S202 PolarHBondContact O-N 3.49Å
203R95.9Very high95.5Very high46 Ų4653.9 Ų53.917%0.17431%0.305CS..THydrogen-bonded Turntrans-93.811.6-174.8-55.3-17764.1-145.2-6.4114.3F134 S199 L200 A201 V205 E206 M207F134-R203 HydrophobicContact CE1-CB 4.07Å; S199-R203 WeakPolarHBondContact O-CG 3.41Å; L200-R203 PolarHBondContact O-N 3.47Å; A201-R203 PolarHBondContact O-N 3.4Å; A201-R203 VanDerWaalsContact O-N 3.13Å; R203-V205 PolarHBondContact O-N 2.87Å; R203-E206 HydrophobicContact CB-CG 4.5Å; R203-E206 WeakPolarHBondContact CB-OE1 3.41Å; R203-E206 WeakPolarHBondContact CG-OE1 3.31Å; R203-E206 IonicContact CZ-OE1 3.1Å; R203-E206 IonicContact CZ-OE2 2.68Å; R203-E206 VanDerWaalsContact NE-CD 3.33Å; R203-E206 IonicContact NE-OE1 2.71Å; R203-E206 PolarHBondContact NE-OE1 3.06Å; R203-E206 IonicContact NE-OE2 2.66Å; R203-E206 PolarHBondContact NE-OE2 2.66Å; R203-E206 IonicContact NH2-OE1 2.71Å; R203-E206 IonicContact NH2-OE2 2.71Å; R203-E206 PolarHBondContact NH2-OE2 3.09Å; R203-E206 WeakPolarHBondContact O-CB 3.45Å; R203-E206 PolarHBondContact O-N 2.91Å; R203-M207 WeakPolarHBondContact O-CG 3.44Å; R203-M207 PolarHBondContact O-N 3.12Å
204E94.6Very high95.6Very high81 Ų8154.6 Ų54.638%0.37931%0.309SS..Hα-helixtrans-51.6-37.7175.9179.1166.1-12500113.4R38 M42 A201 M207 A208R38-E204 IonicContact CZ-OE1 3.11Å; R38-E204 IonicContact CZ-OE2 3.92Å; R38-E204 IonicContact NE-OE1 2.71Å; R38-E204 IonicContact NH2-OE1 2.75Å; R38-E204 PolarHBondContact NH2-OE1 3.33Å; R38-E204 IonicContact NH2-OE2 3.14Å; R38-E204 PolarHBondContact NH2-OE2 3.06Å; M42-E204 HydrophobicContact CE-CB 3.82Å; M42-E204 HydrophobicContact CE-CG 3.64Å; M42-E204 WeakPolarHBondContact CE-OE1 3.45Å; A201-E204 PolarHBondContact O-N 3.35Å; E204-M207 WeakPolarHBondContact O-CB 3.45Å; E204-M207 PolarHBondContact O-N 3.25Å; E204-A208 PolarHBondContact O-N 2.95Å
205V95.9Very high95.8Very high100 Ų10059.2 Ų59.261%0.60633%0.331SS*.Hα-helixtrans-64.5-45.3176.8-1780000111.1R203 M207 A208 E209R203-V205 PolarHBondContact O-N 2.87Å; V205-M207 VanDerWaalsContact C-N 3.28Å; V205-M207 PolarHBondContact O-N 3.19Å; V205-A208 WeakPolarHBondContact O-CB 3.46Å; V205-A208 PolarHBondContact O-N 3.11Å; V205-A208 VanDerWaalsContact O-N 3.09Å; V205-E209 WeakPolarHBondContact O-CG 3.32Å; V205-E209 PolarHBondContact O-N 3.2Å
206E96Very high96Very high79 Ų7960 Ų6037%0.36933%0.327SS..Hα-helixtrans-61.3-38.2176.1-58.2176.6-123.400111.4F134 R203 A208 E209 V210F134-E206 HydrophobicContact CE1-CB 4.12Å; F134-E206 HydrophobicContact CZ-CB 3.79Å; R203-E206 HydrophobicContact CB-CG 4.5Å; R203-E206 WeakPolarHBondContact CB-OE1 3.41Å; R203-E206 WeakPolarHBondContact CG-OE1 3.31Å; R203-E206 IonicContact CZ-OE1 3.1Å; R203-E206 IonicContact CZ-OE2 2.68Å; R203-E206 VanDerWaalsContact NE-CD 3.33Å; R203-E206 IonicContact NE-OE1 2.71Å; R203-E206 PolarHBondContact NE-OE1 3.06Å; R203-E206 IonicContact NE-OE2 2.66Å; R203-E206 PolarHBondContact NE-OE2 2.66Å; R203-E206 IonicContact NH2-OE1 2.71Å; R203-E206 IonicContact NH2-OE2 2.71Å; R203-E206 PolarHBondContact NH2-OE2 3.09Å; R203-E206 WeakPolarHBondContact O-CB 3.45Å; R203-E206 PolarHBondContact O-N 2.91Å; E206-A208 VanDerWaalsContact C-N 3.3Å; E206-A208 PolarHBondContact O-N 2.76Å; E206-E209 PolarHBondContact O-N 2.73Å; E206-V210 PolarHBondContact O-N 3.27Å
207M95.9Very high96Very high10 Ų1058.8 Ų58.85%0.04932%0.321CS..Hα-helixtrans-63.5-35.7175.4-61.5-177.9-167.400112M42 V43 L46 F134 L200 R203 E204 V205 F211M42-M207 HydrophobicContact CB-SD 4.43Å; M42-M207 HydrophobicContact CE-SD 3.77Å; V43-M207 HydrophobicContact CG2-CE 4.49Å; L46-M207 HydrophobicContact CD1-CB 4.21Å; L46-M207 HydrophobicContact CD1-CG 3.87Å; L46-M207 HydrophobicContact CD1-SD 3.87Å; F134-M207 HydrophobicContact CB-CE 4.48Å; F134-M207 HydrophobicContact CD1-CE 3.7Å; F134-M207 HydrophobicContact CD1-CG 3.91Å; F134-M207 HydrophobicContact CD2-CG 4.15Å; F134-M207 HydrophobicContact CE1-CE 4.18Å; F134-M207 HydrophobicContact CE1-CG 3.64Å; F134-M207 HydrophobicContact CE2-CG 3.92Å; F134-M207 HydrophobicContact CG-CE 4.17Å; F134-M207 HydrophobicContact CG-CG 4.16Å; F134-M207 HydrophobicContact CZ-CB 4.39Å; F134-M207 HydrophobicContact CZ-CG 3.67Å; L200-M207 HydrophobicContact CD1-CE 3.55Å; L200-M207 HydrophobicContact CG-CE 4.06Å; R203-M207 WeakPolarHBondContact O-CG 3.44Å; R203-M207 PolarHBondContact O-N 3.12Å; E204-M207 WeakPolarHBondContact O-CB 3.45Å; E204-M207 PolarHBondContact O-N 3.25Å; V205-M207 VanDerWaalsContact C-N 3.28Å; V205-M207 PolarHBondContact O-N 3.19Å; M207-F211 WeakPolarHBondContact O-CD2 3.48Å
208A96.1Very high96.1Very high60 Ų6061.4 Ų61.450%0.49633%0.333SS..Hα-helixtrans-72.8-37174.600000112.5E204 V205 E206 V210 F211E204-A208 PolarHBondContact O-N 2.95Å; V205-A208 WeakPolarHBondContact O-CB 3.46Å; V205-A208 PolarHBondContact O-N 3.11Å; V205-A208 VanDerWaalsContact O-N 3.09Å; E206-A208 VanDerWaalsContact C-N 3.3Å; E206-A208 PolarHBondContact O-N 2.76Å; A208-V210 PolarHBondContact O-N 3.11Å; A208-F211 WeakPolarHBondContact O-CB 3.36Å; A208-F211 PolarHBondContact O-N 3.16Å
209E96.7Very high96.2Very high115 Ų11560.7 Ų60.754%0.53733%0.332SS..Hα-helixtrans-60.6-29.6177.5-75.1-179.6162.900113.1V205 E206 F211 S212 T213V205-E209 WeakPolarHBondContact O-CG 3.32Å; V205-E209 PolarHBondContact O-N 3.2Å; E206-E209 PolarHBondContact O-N 2.73Å; E209-F211 PolarHBondContact O-N 2.69Å; E209-S212 WeakPolarHBondContact O-CA 3.36Å; E209-S212 VanDerWaalsContact O-CB 3.29Å; E209-S212 WeakPolarHBondContact O-CB 3.44Å; E209-S212 PolarHBondContact O-N 3.25Å; E209-T213 PolarHBondContact O-N 3.33Å; E209-T213 PolarHBondContact O-OG1 3.43Å
210V96.2Very high96.3Very high5 Ų563.6 Ų63.63%0.0334%0.339CS..Hα-helixtrans-54.9-38.3172178.20000112V127 L131 F134 E206 A208 T213 L214V127-V210 HydrophobicContact CG1-CG1 3.68Å; L131-V210 HydrophobicContact CD1-CG1 4.44Å; L131-V210 HydrophobicContact CD2-CB 4.45Å; L131-V210 HydrophobicContact CD2-CG1 3.93Å; L131-V210 HydrophobicContact CD2-CG2 4.11Å; L131-V210 HydrophobicContact CG-CG1 3.99Å; F134-V210 HydrophobicContact CE2-CG2 4.18Å; E206-V210 PolarHBondContact O-N 3.27Å; A208-V210 PolarHBondContact O-N 3.11Å; V210-T213 PolarHBondContact O-N 3.2Å; V210-L214 WeakPolarHBondContact O-CB 3.36Å; V210-L214 PolarHBondContact O-N 3.18Å
211F96.6Very high96.3Very high86 Ų8664.8 Ų64.838%0.37734%0.344SS..Hα-helixtrans-71.3-35.2176.2-65.7-94.9000112L46 L49 M207 A208 E209 T213 L214 L215L46-F211 HydrophobicContact CD2-CE2 4.22Å; L49-F211 HydrophobicContact CD1-CE1 4.37Å; L49-F211 HydrophobicContact CD2-CE1 3.82Å; L49-F211 HydrophobicContact CD2-CE2 4.33Å; L49-F211 HydrophobicContact CD2-CZ 3.72Å; M207-F211 WeakPolarHBondContact O-CD2 3.48Å; A208-F211 WeakPolarHBondContact O-CB 3.36Å; A208-F211 PolarHBondContact O-N 3.16Å; E209-F211 PolarHBondContact O-N 2.69Å; F211-T213 VanDerWaalsContact C-N 3.35Å; F211-L214 PolarHBondContact O-N 2.93Å; F211-L215 WeakPolarHBondContact O-CB 3.32Å; F211-L215 VanDerWaalsContact O-CG 3.29Å; F211-L215 WeakPolarHBondContact O-CG 3.35Å; F211-L215 PolarHBondContact O-N 2.92Å
212S96.2Very high96.5Very high48 Ų4869.5 Ų69.534%0.33636%0.356SS..Hα-helixtrans-61.1-44.4172.5-169.30000111.1E209 L215 K216E209-S212 WeakPolarHBondContact O-CA 3.36Å; E209-S212 VanDerWaalsContact O-CB 3.29Å; E209-S212 WeakPolarHBondContact O-CB 3.44Å; E209-S212 PolarHBondContact O-N 3.25Å; S212-L215 PolarHBondContact O-N 3.45Å; S212-K216 WeakPolarHBondContact O-CB 3.5Å; S212-K216 WeakPolarHBondContact O-CD 3.22Å; S212-K216 VanDerWaalsContact O-CG 3.25Å; S212-K216 WeakPolarHBondContact O-CG 3.33Å; S212-K216 PolarHBondContact O-N 3.36Å; S212-K216 WeakPolarHBondContact OG-CE 3.42Å; S212-K216 PolarHBondContact OG-NZ 3.47Å
213T97Very high96.6Very high47 Ų4771.6 Ų71.629%0.28835%0.353SS..Hα-helixtrans-63.4-46.4176.2-640000111.9H126 V127 E209 V210 F211 L215 K216 I217H126-T213 HydrophobicContact CB-CG2 4.01Å; H126-T213 WeakPolarHBondContact O-CG2 3.29Å; V127-T213 HydrophobicContact CG2-CG2 4.31Å; E209-T213 PolarHBondContact O-N 3.33Å; E209-T213 PolarHBondContact O-OG1 3.43Å; V210-T213 PolarHBondContact O-N 3.2Å; F211-T213 VanDerWaalsContact C-N 3.35Å; T213-L215 PolarHBondContact O-N 3.17Å; T213-K216 PolarHBondContact O-N 3.06Å; T213-I217 HydrophobicContact CG2-CD1 3.84Å; T213-I217 WeakPolarHBondContact O-CD1 3.36Å; T213-I217 WeakPolarHBondContact O-CG1 3.37Å; T213-I217 PolarHBondContact O-N 3.49Å
214L96.9Very high96.6Very high16 Ų1672.8 Ų72.88%0.08436%0.36CS..Hα-helixtrans-57.7-46.8175.8177.157.4000112.3L53 I123 V127 V210 F211 I217 Q218L53-L214 HydrophobicContact CD1-CD1 4.44Å; L53-L214 HydrophobicContact CD2-CD1 3.85Å; L53-L214 HydrophobicContact CD2-CD2 3.91Å; I123-L214 HydrophobicContact CD1-CD1 3.78Å; I123-L214 HydrophobicContact CG1-CD1 3.89Å; I123-L214 HydrophobicContact CG2-CD1 4.19Å; V127-L214 HydrophobicContact CG2-CB 4.05Å; V127-L214 HydrophobicContact CG2-CD1 4.32Å; V210-L214 WeakPolarHBondContact O-CB 3.36Å; V210-L214 PolarHBondContact O-N 3.18Å; F211-L214 PolarHBondContact O-N 2.93Å; L214-I217 PolarHBondContact O-N 3.24Å; L214-Q218 HydrophobicContact CD1-CG 4.23Å; L214-Q218 WeakPolarHBondContact O-CG 3.41Å; L214-Q218 PolarHBondContact O-N 2.91Å
215L97.2Very high96.8Very high114 Ų11469.4 Ų69.460%0.59735%0.346SS*.Hα-helixtrans-63-41.2178-73.1169.6000112F211 S212 T213 Q218 M219F211-L215 WeakPolarHBondContact O-CB 3.32Å; F211-L215 VanDerWaalsContact O-CG 3.29Å; F211-L215 WeakPolarHBondContact O-CG 3.35Å; F211-L215 PolarHBondContact O-N 2.92Å; S212-L215 PolarHBondContact O-N 3.45Å; T213-L215 PolarHBondContact O-N 3.17Å; L215-Q218 PolarHBondContact O-N 3.42Å; L215-M219 VanDerWaalsContact O-CB 3.25Å; L215-M219 WeakPolarHBondContact O-CB 3.34Å; L215-M219 PolarHBondContact O-N 3.11Å
216K97.7Very high96.9Very high112 Ų11272 Ų7249%0.48735%0.346SS..Hα-helixtrans-61.3-44176.9-74.6162.3-178.7162.40111.9S212 T213 M219 Q220S212-K216 WeakPolarHBondContact O-CB 3.5Å; S212-K216 WeakPolarHBondContact O-CD 3.22Å; S212-K216 VanDerWaalsContact O-CG 3.25Å; S212-K216 WeakPolarHBondContact O-CG 3.33Å; S212-K216 PolarHBondContact O-N 3.36Å; S212-K216 WeakPolarHBondContact OG-CE 3.42Å; S212-K216 PolarHBondContact OG-NZ 3.47Å; T213-K216 PolarHBondContact O-N 3.06Å; K216-M219 PolarHBondContact O-N 2.99Å; K216-Q220 WeakPolarHBondContact O-CG 3.2Å; K216-Q220 PolarHBondContact O-N 3.19Å; K216-Q220 VanDerWaalsContact O-N 3.07Å
217I96.8Very high97Very high17 Ų1771.3 Ų71.39%0.08735%0.345CS..Hα-helixtrans-65.6-46.7178.6-64.4159.3000110.9M119 D122 I123 H126 V127 T213 L214 M219 Q220 F221M119-I217 HydrophobicContact CG-CG2 3.89Å; D122-I217 HydrophobicContact CB-CD1 4.43Å; D122-I217 HydrophobicContact CB-CG1 4.45Å; D122-I217 HydrophobicContact CB-CG2 3.76Å; I123-I217 HydrophobicContact CG1-CB 4.47Å; I123-I217 HydrophobicContact CG1-CD1 4.45Å; I123-I217 HydrophobicContact CG1-CG2 3.86Å; H126-I217 HydrophobicContact CB-CD1 4Å; V127-I217 HydrophobicContact CG2-CD1 4.1Å; T213-I217 HydrophobicContact CG2-CD1 3.84Å; T213-I217 WeakPolarHBondContact O-CD1 3.36Å; T213-I217 WeakPolarHBondContact O-CG1 3.37Å; T213-I217 PolarHBondContact O-N 3.49Å; L214-I217 PolarHBondContact O-N 3.24Å; I217-M219 PolarHBondContact O-N 3.07Å; I217-Q220 PolarHBondContact O-N 3.31Å; I217-F221 PolarHBondContact O-N 3.01Å; I217-F221 VanDerWaalsContact O-N 3.12Å
218Q96.8Very high97.1Very high55 Ų5571.6 Ų71.626%0.25735%0.348SS..Hα-helixtrans-62-42.4177-72.1179.9-1400112.1M119 L214 L215 Q220 F221 Y222M119-Q218 HydrophobicContact SD-CG 4.17Å; L214-Q218 HydrophobicContact CD1-CG 4.23Å; L214-Q218 WeakPolarHBondContact O-CG 3.41Å; L214-Q218 PolarHBondContact O-N 2.91Å; L215-Q218 PolarHBondContact O-N 3.42Å; Q218-Q220 PolarHBondContact O-N 3.05Å; Q218-F221 WeakPolarHBondContact O-CB 3.11Å; Q218-F221 PolarHBondContact O-N 2.88Å; Q218-Y222 HydrophobicContact CB-CD2 4.46Å; Q218-Y222 HydrophobicContact CB-CE2 4.23Å; Q218-Y222 WeakPolarHBondContact O-CD2 3.23Å; Q218-Y222 PolarHBondContact O-N 3.24Å
219M97.5Very high97.1Very high91 Ų9171.6 Ų71.645%0.44834%0.34SS..Hα-helixtrans-60.4-42.9176.4-178.3-176.77000112.2L215 K216 I217 Y222 K223 I777L215-M219 VanDerWaalsContact O-CB 3.25Å; L215-M219 WeakPolarHBondContact O-CB 3.34Å; L215-M219 PolarHBondContact O-N 3.11Å; K216-M219 PolarHBondContact O-N 2.99Å; I217-M219 PolarHBondContact O-N 3.07Å; M219-Y222 PolarHBondContact O-N 3.05Å; M219-K223 WeakPolarHBondContact O-CB 3.45Å; M219-K223 PolarHBondContact O-N 3.1Å; M219-I777 HydrophobicContact CE-CD1 4.13Å; M219-I777 HydrophobicContact SD-CD1 3.79Å
220Q96.6Very high97.2Very high129 Ų12968.7 Ų68.760%0.60333%0.33SS*.Hα-helixtrans-63.3-41176.8-72.9176.113.200112K216 I217 Q218 K224K216-Q220 WeakPolarHBondContact O-CG 3.2Å; K216-Q220 PolarHBondContact O-N 3.19Å; K216-Q220 VanDerWaalsContact O-N 3.07Å; I217-Q220 PolarHBondContact O-N 3.31Å; Q218-Q220 PolarHBondContact O-N 3.05Å; Q220-K224 WeakPolarHBondContact O-CB 3.35Å; Q220-K224 PolarHBondContact O-N 3.42Å
221F96.5Very high97.3Very high26 Ų2673.8 Ų73.811%0.11436%0.357CS..Hα-helixtrans-59.5-55172.8163.9-111000112.2A115 M116 M119 I217 Q218 K223 K224 A225A115-F221 HydrophobicContact CB-CD2 3.8Å; A115-F221 HydrophobicContact CB-CE2 4.07Å; M116-F221 HydrophobicContact CB-CD2 4.36Å; M116-F221 HydrophobicContact CB-CE2 3.61Å; M116-F221 HydrophobicContact CB-CZ 4.02Å; M116-F221 HydrophobicContact CG-CE2 4.26Å; M116-F221 HydrophobicContact CG-CZ 4.22Å; M119-F221 HydrophobicContact CB-CB 3.92Å; M119-F221 HydrophobicContact CB-CD2 4.39Å; M119-F221 HydrophobicContact CB-CG 4.15Å; M119-F221 HydrophobicContact CE-CD1 4.28Å; M119-F221 HydrophobicContact CG-CB 3.8Å; M119-F221 HydrophobicContact CG-CG 4.2Å; M119-F221 HydrophobicContact SD-CB 3.62Å; M119-F221 HydrophobicContact SD-CD1 3.42Å; M119-F221 WeakPolarHBondContact SD-CD1 3.37Å; M119-F221 HydrophobicContact SD-CD2 4.49Å; M119-F221 HydrophobicContact SD-CE1 4.24Å; M119-F221 HydrophobicContact SD-CG 3.57Å; M119-F221 VanDerWaalsContact SD-CG 3.57Å; I217-F221 PolarHBondContact O-N 3.01Å; I217-F221 VanDerWaalsContact O-N 3.12Å; Q218-F221 WeakPolarHBondContact O-CB 3.11Å; Q218-F221 PolarHBondContact O-N 2.88Å; F221-K223 VanDerWaalsContact C-N 3.27Å; F221-K223 PolarHBondContact O-N 3.11Å; F221-K224 PolarHBondContact O-N 3.41Å; F221-A225 HydrophobicContact CE2-CB 4.26Å; F221-A225 HydrophobicContact CZ-CB 4.48Å; F221-A225 WeakPolarHBondContact O-CB 3.23Å; F221-A225 PolarHBondContact O-N 3.43Å
222Y97.5Very high97.3Very high131 Ų13170.1 Ų70.151%0.51434%0.342SS..Hα-helixtrans-61.5-36.9-177.5-71.4-59.4000112.1Q218 M219 Y226Q218-Y222 HydrophobicContact CB-CD2 4.46Å; Q218-Y222 HydrophobicContact CB-CE2 4.23Å; Q218-Y222 WeakPolarHBondContact O-CD2 3.23Å; Q218-Y222 PolarHBondContact O-N 3.24Å; M219-Y222 PolarHBondContact O-N 3.05Å; Y222-Y226 VanDerWaalsContact O-CB 3.31Å; Y222-Y226 WeakPolarHBondContact O-CB 3.24Å; Y222-Y226 PolarHBondContact O-N 3.13Å
223K97.7Very high97.4Very high135 Ų13572.1 Ų72.159%0.58735%0.348SS*.Hα-helixtrans-62.4-54.8173-178.2172.7179.2-179.70111.9M219 F221 A225 Y226 D227M219-K223 WeakPolarHBondContact O-CB 3.45Å; M219-K223 PolarHBondContact O-N 3.1Å; F221-K223 VanDerWaalsContact C-N 3.27Å; F221-K223 PolarHBondContact O-N 3.11Å; K223-A225 PolarHBondContact O-N 2.75Å; K223-Y226 PolarHBondContact O-N 3.26Å; K223-Y226 VanDerWaalsContact O-N 3.11Å; K223-D227 WeakPolarHBondContact CG-OD2 3.43Å; K223-D227 VanDerWaalsContact O-CG 3.26Å; K223-D227 PolarHBondContact O-N 3.01Å
224K97Very high97.4Very high72 Ų7273.8 Ų73.831%0.31336%0.359SS..Hα-helixtrans-58-37.8179.2179177.4167.3-169.60112.1D114 A115 Q220 F221 A228D114-K224 IonicContact OD2-NZ 2.67Å; D114-K224 PolarHBondContact OD2-NZ 3.31Å; A115-K224 HydrophobicContact CB-CB 4.48Å; A115-K224 HydrophobicContact CB-CD 3.69Å; A115-K224 HydrophobicContact CB-CG 4.06Å; Q220-K224 WeakPolarHBondContact O-CB 3.35Å; Q220-K224 PolarHBondContact O-N 3.42Å; F221-K224 PolarHBondContact O-N 3.41Å; K224-A228 WeakPolarHBondContact O-CB 3.46Å; K224-A228 PolarHBondContact O-N 2.68Å
225A97.2Very high97.4Very high10 Ų1074.3 Ų74.38%0.08337%0.365CS..Hα-helixtrans-69-41.3176.600000112.6V112 F221 K223 L229V112-A225 HydrophobicContact CG1-CB 4.18Å; V112-A225 HydrophobicContact CG2-CB 4.34Å; F221-A225 HydrophobicContact CE2-CB 4.26Å; F221-A225 HydrophobicContact CZ-CB 4.48Å; F221-A225 WeakPolarHBondContact O-CB 3.23Å; F221-A225 PolarHBondContact O-N 3.43Å; K223-A225 PolarHBondContact O-N 2.75Å; A225-L229 VanDerWaalsContact O-CG 3.29Å; A225-L229 WeakPolarHBondContact O-CG 3.25Å; A225-L229 PolarHBondContact O-N 3.18Å; A225-L229 VanDerWaalsContact O-N 3.16Å
226Y98.2Very high97.3Very high154 Ų15470 Ų7060%0.60434%0.343SS*.Hα-helixtrans-62.6-51.6174.6173.7-95000111.7Y222 K223 A228 L229 V230Y222-Y226 VanDerWaalsContact O-CB 3.31Å; Y222-Y226 WeakPolarHBondContact O-CB 3.24Å; Y222-Y226 PolarHBondContact O-N 3.13Å; K223-Y226 PolarHBondContact O-N 3.26Å; K223-Y226 VanDerWaalsContact O-N 3.11Å; Y226-A228 VanDerWaalsContact C-N 3.29Å; Y226-A228 PolarHBondContact O-N 3.06Å; Y226-L229 PolarHBondContact O-N 3.32Å; Y226-V230 HydrophobicContact CD1-CG2 4.18Å; Y226-V230 HydrophobicContact CD2-CG2 4.3Å; Y226-V230 HydrophobicContact CE1-CG2 3.75Å; Y226-V230 HydrophobicContact CE2-CG2 3.87Å; Y226-V230 HydrophobicContact CG-CG2 4.44Å; Y226-V230 WeakPolarHBondContact O-CG2 3.46Å; Y226-V230 PolarHBondContact O-N 3.31Å
227D98Very high97.2Very high65 Ų6567.6 Ų67.635%0.34834%0.338SS..Hα-helixtrans-57.8-42.3-178.9-63.9-24.2000111K223 L229 V230 N231K223-D227 WeakPolarHBondContact CG-OD2 3.43Å; K223-D227 VanDerWaalsContact O-CG 3.26Å; K223-D227 PolarHBondContact O-N 3.01Å; D227-L229 PolarHBondContact O-N 3.26Å; D227-V230 PolarHBondContact O-N 3.36Å; D227-N231 WeakPolarHBondContact O-CB 3.3Å; D227-N231 VanDerWaalsContact O-CG 3.24Å; D227-N231 PolarHBondContact O-N 3.02Å; D227-N231 VanDerWaalsContact O-N 3.09Å; D227-N231 PolarHBondContact O-ND2 3.29Å
228A97.7Very high96.9Very high15 Ų1570.8 Ų70.812%0.12435%0.353CS..Hα-helixtrans-64.6-37.5176.300000113.4T108 V111 V112 K224 Y226 C232T108-A228 HydrophobicContact CG2-CB 4.25Å; T108-A228 WeakPolarHBondContact CG2-O 3.24Å; V111-A228 HydrophobicContact CG1-CB 4.07Å; V112-A228 HydrophobicContact CG2-CB 4.41Å; K224-A228 WeakPolarHBondContact O-CB 3.46Å; K224-A228 PolarHBondContact O-N 2.68Å; Y226-A228 VanDerWaalsContact C-N 3.29Å; Y226-A228 PolarHBondContact O-N 3.06Å; A228-C232 WeakPolarHBondContact O-CB 3.37Å; A228-C232 PolarHBondContact O-N 2.74Å; A228-C232 VanDerWaalsContact O-N 3.12Å
229L97.9Very high96.6Very high60 Ų6073.3 Ų73.331%0.31436%0.36SS..Hα-helixtrans-74.3-37178.2-73168.9000112.5T108 V112 A225 Y226 D227 C232 L233 P607T108-L229 HydrophobicContact CG2-CD2 3.97Å; T108-L229 HydrophobicContact CG2-CG 4.48Å; V112-L229 HydrophobicContact CG2-CG 4.41Å; A225-L229 VanDerWaalsContact O-CG 3.29Å; A225-L229 WeakPolarHBondContact O-CG 3.25Å; A225-L229 PolarHBondContact O-N 3.18Å; A225-L229 VanDerWaalsContact O-N 3.16Å; Y226-L229 PolarHBondContact O-N 3.32Å; D227-L229 PolarHBondContact O-N 3.26Å; L229-C232 WeakPolarHBondContact O-CB 3.3Å; L229-C232 PolarHBondContact O-N 3.15Å; L229-L233 WeakPolarHBondContact O-CB 3.17Å; L229-L233 PolarHBondContact O-N 3.05Å; L229-P607 HydrophobicContact CD1-CG 4.42Å
230V98.1Very high96.3Very high55 Ų5572.2 Ų72.233%0.33336%0.355SS..Hα-helixtrans-63.8-45.5174.3171.60000110.6Y226 D227 C232 L233 T234Y226-V230 HydrophobicContact CD1-CG2 4.18Å; Y226-V230 HydrophobicContact CD2-CG2 4.3Å; Y226-V230 HydrophobicContact CE1-CG2 3.75Å; Y226-V230 HydrophobicContact CE2-CG2 3.87Å; Y226-V230 HydrophobicContact CG-CG2 4.44Å; Y226-V230 WeakPolarHBondContact O-CG2 3.46Å; Y226-V230 PolarHBondContact O-N 3.31Å; D227-V230 PolarHBondContact O-N 3.36Å; V230-C232 VanDerWaalsContact C-N 3.31Å; V230-C232 PolarHBondContact O-N 3.41Å; V230-L233 PolarHBondContact O-N 3.42Å; V230-T234 PolarHBondContact O-N 3.29Å; V230-T234 PolarHBondContact O-OG1 2.66Å; V230-T234 VanDerWaalsContact O-OG1 3.07Å
231N97.4Very high95.8Very high112 Ų11269.8 Ų69.860%0.59935%0.346SS*.Hα-helixtrans-61.5-40176.2-69.5-20.7000112D227 A235D227-N231 WeakPolarHBondContact O-CB 3.3Å; D227-N231 VanDerWaalsContact O-CG 3.24Å; D227-N231 PolarHBondContact O-N 3.02Å; D227-N231 VanDerWaalsContact O-N 3.09Å; D227-N231 PolarHBondContact O-ND2 3.29Å; N231-A235 WeakPolarHBondContact O-CB 3.33Å; N231-A235 PolarHBondContact O-N 3.44Å
232C97.9Very high95.2Very high8 Ų877.1 Ų77.15%0.05437%0.373CS..Hα-helixtrans-61.7-48.8173.7-170.50000112.3T108 A228 L229 V230 T234 A235 V236T108-C232 HydrophobicContact CG2-CB 3.81Å; T108-C232 WeakPolarHBondContact OG1-CB 3.46Å; T108-C232 PolarHBondContact OG1-SG 3.19Å; A228-C232 WeakPolarHBondContact O-CB 3.37Å; A228-C232 PolarHBondContact O-N 2.74Å; A228-C232 VanDerWaalsContact O-N 3.12Å; L229-C232 WeakPolarHBondContact O-CB 3.3Å; L229-C232 PolarHBondContact O-N 3.15Å; V230-C232 VanDerWaalsContact C-N 3.31Å; V230-C232 PolarHBondContact O-N 3.41Å; C232-T234 VanDerWaalsContact C-N 3.34Å; C232-T234 PolarHBondContact O-N 3.47Å; C232-A235 PolarHBondContact O-N 3.36Å; C232-V236 WeakPolarHBondContact O-CB 3.29Å; C232-V236 VanDerWaalsContact O-CG2 3.32Å; C232-V236 WeakPolarHBondContact O-CG2 3.38Å; C232-V236 PolarHBondContact O-N 2.71Å
233L97.8Very high94.6Very high90 Ų9072.8 Ų72.847%0.47136%0.357SS..Hα-helixtrans-60-44-179.5179.560.5000111.5L229 V230 T237L229-L233 WeakPolarHBondContact O-CB 3.17Å; L229-L233 PolarHBondContact O-N 3.05Å; V230-L233 PolarHBondContact O-N 3.42Å; L233-T237 VanDerWaalsContact O-CB 3.31Å; L233-T237 WeakPolarHBondContact O-CB 3.38Å; L233-T237 PolarHBondContact O-N 3.4Å; L233-T237 PolarHBondContact O-OG1 2.88Å
234T97.2Very high93.6Very high83 Ų8369.5 Ų69.551%0.50935%0.35SS..Hα-helixtrans-59.9-54.7174.9-56.70000111V230 C232 V236 T237 E238V230-T234 PolarHBondContact O-N 3.29Å; V230-T234 PolarHBondContact O-OG1 2.66Å; V230-T234 VanDerWaalsContact O-OG1 3.07Å; C232-T234 VanDerWaalsContact C-N 3.34Å; C232-T234 PolarHBondContact O-N 3.47Å; T234-V236 VanDerWaalsContact C-N 3.26Å; T234-V236 PolarHBondContact O-N 3.29Å; T234-T237 PolarHBondContact O-N 2.87Å; T234-E238 WeakPolarHBondContact O-CB 3.35Å; T234-E238 PolarHBondContact O-N 2.93Å
235A95.6Very high92.8Very high27 Ų2770.2 Ų70.222%0.22335%0.351CS..Hα-helixtrans-69.7-17.8-176.400000114.6N231 C232 R239N231-A235 WeakPolarHBondContact O-CB 3.33Å; N231-A235 PolarHBondContact O-N 3.44Å; C232-A235 PolarHBondContact O-N 3.36Å; A235-R239 WeakPolarHBondContact O-CG 3.41Å; A235-R239 PolarHBondContact O-NH1 3.13Å
236V96.4Very high92.1Very high23 Ų2372.1 Ų72.114%0.13936%0.356CS..Hα-helixtrans-83.7-45.1169.9165.70000110.7V101 T104 C232 T234 R239 I240V101-V236 HydrophobicContact CG1-CG1 3.76Å; V101-V236 HydrophobicContact CG1-CG2 4.16Å; V101-V236 HydrophobicContact CG2-CG1 4.22Å; T104-V236 HydrophobicContact CG2-CG2 4.21Å; C232-V236 WeakPolarHBondContact O-CB 3.29Å; C232-V236 VanDerWaalsContact O-CG2 3.32Å; C232-V236 WeakPolarHBondContact O-CG2 3.38Å; C232-V236 PolarHBondContact O-N 2.71Å; T234-V236 VanDerWaalsContact C-N 3.26Å; T234-V236 PolarHBondContact O-N 3.29Å; V236-R239 PolarHBondContact O-N 3.3Å; V236-I240 HydrophobicContact CG1-CD1 3.71Å; V236-I240 VanDerWaalsContact O-CG1 3.29Å; V236-I240 WeakPolarHBondContact O-CG1 3.4Å; V236-I240 PolarHBondContact O-N 2.9Å
237T94.7Very high91.8Very high62 Ų6268.5 Ų68.538%0.3835%0.351SS..Hα-helixtrans-62.9-44.8179.4-540000111.1L233 T234 R239 I240 D241L233-T237 VanDerWaalsContact O-CB 3.31Å; L233-T237 WeakPolarHBondContact O-CB 3.38Å; L233-T237 PolarHBondContact O-N 3.4Å; L233-T237 PolarHBondContact O-OG1 2.88Å; T234-T237 PolarHBondContact O-N 2.87Å; T237-R239 PolarHBondContact O-N 2.98Å; T237-I240 PolarHBondContact O-N 3.22Å; T237-D241 PolarHBondContact O-N 3.26Å
238E91.2Very high91.5Very high83 Ų8365.8 Ų65.839%0.38834%0.337SS..Hα-helixtrans-59.5-43.2177.2-175.6-179.1-169.300112.5T234 D241 R242T234-E238 WeakPolarHBondContact O-CB 3.35Å; T234-E238 PolarHBondContact O-N 2.93Å; E238-D241 PolarHBondContact O-N 2.93Å; E238-R242 PolarHBondContact O-N 2.71Å; E238-R242 IonicContact OE1-CZ 2.66Å; E238-R242 IonicContact OE1-NH1 3.32Å; E238-R242 PolarHBondContact OE1-NH1 2.71Å; E238-R242 IonicContact OE1-NH2 3.06Å; E238-R242 PolarHBondContact OE1-NH2 2.79Å
239R91.2Very high91.3Very high108 Ų10865.8 Ų65.841%0.40833%0.334SS..Hα-helixtrans-66.7-39.9175.4-77.2-174.8-177.7100.2-10112.6L97 T104 A235 V236 T237 H243L97-R239 HydrophobicContact CD1-CB 4.27Å; T104-R239 PolarHBondContact OG1-NH1 2.92Å; A235-R239 WeakPolarHBondContact O-CG 3.41Å; A235-R239 PolarHBondContact O-NH1 3.13Å; V236-R239 PolarHBondContact O-N 3.3Å; T237-R239 PolarHBondContact O-N 2.98Å; R239-H243 PolarHBondContact O-N 2.66Å
240I90.5Very high91Very high68 Ų6865.1 Ų65.135%0.34934%0.342SS..Hα-helixtrans-61.4-47.9174.3-70.6165.1000109.5L97 V236 T237 H243 R246L97-I240 HydrophobicContact CD1-CG1 4.47Å; L97-I240 HydrophobicContact CD2-CG1 4.27Å; V236-I240 HydrophobicContact CG1-CD1 3.71Å; V236-I240 VanDerWaalsContact O-CG1 3.29Å; V236-I240 WeakPolarHBondContact O-CG1 3.4Å; V236-I240 PolarHBondContact O-N 2.9Å; T237-I240 PolarHBondContact O-N 3.22Å; I240-H243 WeakPolarHBondContact O-CB 3.47Å; I240-H243 PolarHBondContact O-N 3.43Å; I240-R246 VanDerWaalsContact C-NH2 3.31Å; I240-R246 PolarHBondContact O-NH2 2.74Å
241D86.2Confident90.7Very high78 Ų7864.3 Ų64.342%0.41733%0.334SS..Hα-helixtrans-74.4-22-176.2-84.2-24.6000115.8T237 E238 R246 Y259T237-D241 PolarHBondContact O-N 3.26Å; E238-D241 PolarHBondContact O-N 2.93Å; D241-R246 VanDerWaalsContact CA-NH2 3.33Å; D241-R246 IonicContact OD1-CZ 2.75Å; D241-R246 IonicContact OD1-NH1 3.56Å; D241-R246 IonicContact OD1-NH2 3.82Å; D241-R246 PolarHBondContact OD1-NH2 2.8Å; D241-Y259 WeakPolarHBondContact O-CD1 3.35Å; D241-Y259 WeakPolarHBondContact O-CE1 3.44Å; D241-Y259 PolarHBondContact OD1-OH 3.24Å
242R84.3Confident90.5Very high181 Ų18161 Ų6168%0.68332%0.32SS*.Hα-helixtrans-82.5-12.4166.7-70.6-166.6-175.3115.716.6114.5E238 P244E238-R242 PolarHBondContact O-N 2.71Å; E238-R242 IonicContact OE1-CZ 2.66Å; E238-R242 IonicContact OE1-NH1 3.32Å; E238-R242 PolarHBondContact OE1-NH1 2.71Å; E238-R242 IonicContact OE1-NH2 3.06Å; E238-R242 PolarHBondContact OE1-NH2 2.79Å; R242-P244 WeakPolarHBondContact O-CD 3.31Å
243H84.4Confident90.3Very high39 Ų3961.1 Ų61.118%0.18132%0.32CS..  trans-69.5120.3-174.2-168.563000112T95 L97 R239 I240 R245 R246T95-H243 PolarHBondContact O-CE1 2.95Å; L97-H243 HydrophobicContact CD1-CB 4.19Å; L97-H243 HydrophobicContact CD2-CB 3.87Å; L97-H243 HydrophobicContact CG-CB 4.47Å; R239-H243 PolarHBondContact O-N 2.66Å; I240-H243 WeakPolarHBondContact O-CB 3.47Å; I240-H243 PolarHBondContact O-N 3.43Å; H243-R245 PolarHBondContact CD2-O 3.1Å; H243-R246 PolarHBondContact O-NE 3.06Å
244P77.3Confident90Very high67 Ų6762.4 Ų62.444%0.43532%0.324SS..  trans-77.8-26.4-169.729.6-35.7000114R242 R246R242-P244 WeakPolarHBondContact O-CD 3.31Å; P244-R246 PolarHBondContact O-N 2.83Å
245R79.3Confident89.7Confident86 Ų8663.4 Ų63.433%0.32532%0.321SS..  trans-79.6101.7178.5-69.8176.1160.5-144.7-16.6109.9H243 E306H243-R245 PolarHBondContact CD2-O 3.1Å; R245-E306 IonicContact CZ-OE1 2.66Å; R245-E306 IonicContact NH1-OE1 3.01Å; R245-E306 PolarHBondContact NH1-OE1 2.93Å; R245-E306 IonicContact NH2-OE1 2.67Å; R245-E306 PolarHBondContact NH2-OE1 3.43Å; R245-E306 IonicContact NH2-OE2 3.38Å; R245-E306 PolarHBondContact NH2-OE2 3.33Å
246R83.3Confident89.4Confident50 Ų5062.4 Ų62.419%0.18931%0.311CS..  trans-140.9148.8179.5-70.1177.2164.8-125.6-1110.6I240 D241 H243 P244 V248 Y259I240-R246 VanDerWaalsContact C-NH2 3.31Å; I240-R246 PolarHBondContact O-NH2 2.74Å; D241-R246 VanDerWaalsContact CA-NH2 3.33Å; D241-R246 IonicContact OD1-CZ 2.75Å; D241-R246 IonicContact OD1-NH1 3.56Å; D241-R246 IonicContact OD1-NH2 3.82Å; D241-R246 PolarHBondContact OD1-NH2 2.8Å; H243-R246 PolarHBondContact O-NE 3.06Å; P244-R246 PolarHBondContact O-N 2.83Å; R246-V248 WeakPolarHBondContact O-CG1 3.45Å; R246-V248 PolarHBondContact O-N 3.45Å; R246-Y259 PolarHBondContact NH1-OH 3.29Å; R246-Y259 VanDerWaalsContact NH1-OH 3.09Å
247P90.5Very high89.2Confident78 Ų7861.9 Ų61.951%0.50631%0.308SS..  trans-56.5129.3173.8-24.834.5000111.3Q251 D303P247-Q251 WeakPolarHBondContact O-CG 3.48Å; P247-Q251 PolarHBondContact O-NE2 2.87Å; P247-D303 WeakPolarHBondContact CA-O 3.35Å; P247-D303 HydrophobicContact CB-CB 4.18Å
248V91.9Very high88.9Confident9 Ų968.1 Ų68.16%0.05532%0.324CS..  trans-98.3-27.8-171.6-60.20000112.6R246 H256 V267 F302 D303 Y326R246-V248 WeakPolarHBondContact O-CG1 3.45Å; R246-V248 PolarHBondContact O-N 3.45Å; V248-H256 WeakPolarHBondContact CG1-NE2 3.38Å; V248-V267 HydrophobicContact CB-CG2 4.49Å; V248-V267 HydrophobicContact CG2-CG2 3.58Å; V248-F302 HydrophobicContact CG2-CB 3.88Å; V248-D303 PolarHBondContact N-OD1 3.33Å; V248-Y326 WeakPolarHBondContact O-CE2 3.38Å
249Y93.6Very high88.6Confident14 Ų1466.3 Ų66.36%0.05531%0.314CS..THydrogen-bonded Turntrans-80.1135.2175.6-69.8-112.3000110.7Q251 V267 K299 F302 D303 A322 Q325 Y326Y249-Q251 VanDerWaalsContact C-N 3.31Å; Y249-V267 HydrophobicContact CE2-CG2 3.95Å; Y249-K299 HydrophobicContact CD1-CD 3.61Å; Y249-K299 HydrophobicContact CD1-CG 4.01Å; Y249-K299 HydrophobicContact CD2-CD 4.18Å; Y249-K299 HydrophobicContact CD2-CG 3.78Å; Y249-K299 HydrophobicContact CE1-CB 4.17Å; Y249-K299 HydrophobicContact CE1-CD 3.95Å; Y249-K299 HydrophobicContact CE1-CG 4.03Å; Y249-K299 HydrophobicContact CE2-CB 4.1Å; Y249-K299 HydrophobicContact CE2-CG 3.86Å; Y249-K299 HydrophobicContact CG-CD 3.75Å; Y249-K299 VanDerWaalsContact CG-CE 3.46Å; Y249-K299 HydrophobicContact CG-CG 3.89Å; Y249-F302 HydrophobicContact CE2-CB 3.84Å; Y249-F302 HydrophobicContact CE2-CD2 4.19Å; Y249-F302 HydrophobicContact CE2-CG 4.33Å; Y249-D303 WeakPolarHBondContact CD2-OD1 3.48Å; Y249-D303 PolarHBondContact N-OD1 2.99Å; Y249-A322 PolarHBondContact OH-O 3.06Å; Y249-Q325 HydrophobicContact CD1-CG 4.29Å; Y249-Q325 HydrophobicContact CE1-CB 4.24Å; Y249-Q325 HydrophobicContact CE1-CG 4.12Å; Y249-Y326 HydrophobicContact CD1-CD2 4.38Å; Y249-Y326 HydrophobicContact CG-CD2 4.38Å
250G92.4Very high88.2Confident46 Ų4662.7 Ų62.747%0.47431%0.306SS..THydrogen-bonded Turntrans86.4-6.2-177.300000114.8E329 P331G250-E329 VanDerWaalsContact CA-O 3.22Å; G250-E329 WeakPolarHBondContact CA-O 3.44Å; G250-E329 PolarHBondContact N-O 2.66Å; G250-P331 WeakPolarHBondContact O-CG 3.46Å
251Q90.7Very high88.1Confident38 Ų3865 Ų6518%0.17833%0.328CS..SBendtrans-85.4150.7169.9-72.3-152.162.200111.5P247 Y249 P331P247-Q251 WeakPolarHBondContact O-CG 3.48Å; P247-Q251 PolarHBondContact O-NE2 2.87Å; Y249-Q251 VanDerWaalsContact C-N 3.31Å; Q251-P331 VanDerWaalsContact O-CD 3.25Å; Q251-P331 WeakPolarHBondContact O-CD 3.44Å
252S93.4Very high88.2Confident42 Ų4264.5 Ų64.529%0.29432%0.32SS..  trans-63.8142.8166.853.40000110.4E254 K255 H256S252-E254 VanDerWaalsContact C-N 3.33Å; S252-E254 PolarHBondContact O-N 3.26Å; S252-K255 PolarHBondContact O-N 3.39Å; S252-K255 VanDerWaalsContact O-N 3.11Å; S252-K255 WeakPolarHBondContact OG-CG 3.42Å; S252-H256 PolarHBondContact O-N 3.12Å; S252-H256 VanDerWaalsContact O-N 3.08Å
253L93.6Very high88.6Confident11 Ų1161.5 Ų61.56%0.05831%0.314CS..Hα-helixtrans-54.2-48.3-175.5179.262.4000111.8K255 H256 L257 A265 L334 N370 N373L253-K255 VanDerWaalsContact C-N 3.32Å; L253-K255 PolarHBondContact O-N 2.89Å; L253-H256 PolarHBondContact O-N 3.29Å; L253-H256 VanDerWaalsContact O-N 3.15Å; L253-L257 HydrophobicContact CD1-CD1 3.88Å; L253-L257 HydrophobicContact CD1-CD2 4.28Å; L253-L257 HydrophobicContact CD1-CG 3.93Å; L253-L257 HydrophobicContact CD2-CD1 4.43Å; L253-L257 HydrophobicContact CG-CD1 3.77Å; L253-L257 HydrophobicContact CG-CG 4.24Å; L253-L257 VanDerWaalsContact O-CG 3.31Å; L253-L257 WeakPolarHBondContact O-CG 3.41Å; L253-L257 PolarHBondContact O-N 3.21Å; L253-A265 HydrophobicContact CD1-CB 3.86Å; L253-L334 HydrophobicContact CD2-CD1 3.73Å; L253-N370 HydrophobicContact CD2-CB 4.42Å; L253-N373 HydrophobicContact CD2-CB 4.16Å
254E91.9Very high89Confident118 Ų11860.9 Ų60.955%0.55131%0.312SS*.Hα-helixtrans-50.6-47.4176.9-170.2-152160.600112.7S252 R258S252-E254 VanDerWaalsContact C-N 3.33Å; S252-E254 PolarHBondContact O-N 3.26Å; E254-R258 WeakPolarHBondContact O-CB 3.4Å; E254-R258 PolarHBondContact O-N 3.48Å
255K90.1Very high89.8Confident104 Ų10457.7 Ų57.745%0.45229%0.291SS..Hα-helixtrans-68.4-42.8179.7-71.9-175.9-176-179.70111.8S252 L253 L257 R258 Y259S252-K255 PolarHBondContact O-N 3.39Å; S252-K255 VanDerWaalsContact O-N 3.11Å; S252-K255 WeakPolarHBondContact OG-CG 3.42Å; L253-K255 VanDerWaalsContact C-N 3.32Å; L253-K255 PolarHBondContact O-N 2.89Å; K255-L257 PolarHBondContact O-N 3.27Å; K255-R258 PolarHBondContact O-N 3.47Å; K255-Y259 HydrophobicContact CB-CD2 4.14Å; K255-Y259 HydrophobicContact CB-CE2 3.89Å; K255-Y259 HydrophobicContact CG-CE2 4.39Å; K255-Y259 WeakPolarHBondContact O-CB 3.44Å; K255-Y259 WeakPolarHBondContact O-CD2 3.43Å; K255-Y259 PolarHBondContact O-N 3.19Å
256H90.6Very high90.5Very high5 Ų554.9 Ų54.92%0.02328%0.282CS..Hα-helixtrans-58.5-47.5176.5174.7-155.3000111.4V248 S252 L253 S260 L266 Y326V248-H256 WeakPolarHBondContact CG1-NE2 3.38Å; S252-H256 PolarHBondContact O-N 3.12Å; S252-H256 VanDerWaalsContact O-N 3.08Å; L253-H256 PolarHBondContact O-N 3.29Å; L253-H256 VanDerWaalsContact O-N 3.15Å; H256-S260 WeakPolarHBondContact O-CB 3.21Å; H256-S260 PolarHBondContact O-N 3.41Å; H256-S260 PolarHBondContact O-OG 3.17Å; H256-L266 PolarHBondContact CE1-N 3.06Å; H256-L266 VanDerWaalsContact CE1-N 3.3Å; H256-Y326 AromaticContact ND1-CZ 3.69Å; H256-Y326 PolarHBondContact ND1-OH 2.88Å
257L92Very high91Very high13 Ų1352.5 Ų52.57%0.06827%0.273CS..Hα-helixtrans-64-46.1177.5-64.3175.7000111.6L253 K255 Y259 S260 S261 R262 E263 I264 A265 C369L253-L257 HydrophobicContact CD1-CD1 3.88Å; L253-L257 HydrophobicContact CD1-CD2 4.28Å; L253-L257 HydrophobicContact CD1-CG 3.93Å; L253-L257 HydrophobicContact CD2-CD1 4.43Å; L253-L257 HydrophobicContact CG-CD1 3.77Å; L253-L257 HydrophobicContact CG-CG 4.24Å; L253-L257 VanDerWaalsContact O-CG 3.31Å; L253-L257 WeakPolarHBondContact O-CG 3.41Å; L253-L257 PolarHBondContact O-N 3.21Å; K255-L257 PolarHBondContact O-N 3.27Å; L257-Y259 PolarHBondContact O-N 2.85Å; L257-S260 PolarHBondContact O-N 2.96Å; L257-S260 PolarHBondContact O-OG 3.31Å; L257-S261 PolarHBondContact O-N 3.13Å; L257-R262 WeakPolarHBondContact CB-O 3.37Å; L257-R262 WeakPolarHBondContact CD2-O 3.44Å; L257-R262 PolarHBondContact O-N 2.98Å; L257-E263 WeakPolarHBondContact CD2-O 3.32Å; L257-I264 VanDerWaalsContact CD2-C 3.41Å; L257-A265 HydrophobicContact CD2-CB 4.28Å; L257-C369 HydrophobicContact CD1-CB 3.61Å
258R88.3Confident91.2Very high192 Ų19248.9 Ų48.973%0.72525%0.249SC*.Hα-helixtrans-62.5-37.5178.8-179175.8173-179.9-2.4113.8E254 K255E254-R258 WeakPolarHBondContact O-CB 3.4Å; E254-R258 PolarHBondContact O-N 3.48Å; K255-R258 PolarHBondContact O-N 3.47Å
259Y84.2Confident91.3Very high45 Ų4549.6 Ų49.618%0.17625%0.252CS..Hα-helixtrans-81.4-24.5178.2-67-51.6000113.4D241 R246 K255 L257D241-Y259 WeakPolarHBondContact O-CD1 3.35Å; D241-Y259 WeakPolarHBondContact O-CE1 3.44Å; D241-Y259 PolarHBondContact OD1-OH 3.24Å; R246-Y259 PolarHBondContact NH1-OH 3.29Å; R246-Y259 VanDerWaalsContact NH1-OH 3.09Å; K255-Y259 HydrophobicContact CB-CD2 4.14Å; K255-Y259 HydrophobicContact CB-CE2 3.89Å; K255-Y259 HydrophobicContact CG-CE2 4.39Å; K255-Y259 WeakPolarHBondContact O-CB 3.44Å; K255-Y259 WeakPolarHBondContact O-CD2 3.43Å; K255-Y259 PolarHBondContact O-N 3.19Å; L257-Y259 PolarHBondContact O-N 2.85Å
260S84.3Confident91.3Very high32 Ų3248.9 Ų48.922%0.22425%0.249CC..Hα-helixtrans-93.8-7.3177.559.30000114H256 L257 R262H256-S260 WeakPolarHBondContact O-CB 3.21Å; H256-S260 PolarHBondContact O-N 3.41Å; H256-S260 PolarHBondContact O-OG 3.17Å; L257-S260 PolarHBondContact O-N 2.96Å; L257-S260 PolarHBondContact O-OG 3.31Å; S260-R262 VanDerWaalsContact C-N 3.25Å; S260-R262 PolarHBondContact O-N 3.49Å
261S86.7Confident91.4Very high116 Ų11646.8 Ų46.881%0.81123%0.227SC*.THydrogen-bonded Turntrans54.536.9-173-59.70000113.6L257L257-S261 PolarHBondContact O-N 3.13Å
262R88.7Confident91.6Very high68 Ų6845 Ų4526%0.25722%0.219SC..  trans-116.3153.5-179.3-65.5-178.3-178.1-114.6-7.2112.3L257 S260 I264 E269L257-R262 WeakPolarHBondContact CB-O 3.37Å; L257-R262 WeakPolarHBondContact CD2-O 3.44Å; L257-R262 PolarHBondContact O-N 2.98Å; S260-R262 VanDerWaalsContact C-N 3.25Å; S260-R262 PolarHBondContact O-N 3.49Å; R262-I264 VanDerWaalsContact CB-O 3.26Å; R262-I264 WeakPolarHBondContact CB-O 3.43Å; R262-E269 IonicContact CZ-OE2 2.82Å; R262-E269 IonicContact NH1-OE1 2.91Å; R262-E269 PolarHBondContact NH1-OE1 2.92Å; R262-E269 IonicContact NH1-OE2 3.06Å; R262-E269 PolarHBondContact NH1-OE2 3.44Å
263E92.6Very high91.5Very high119 Ų11943.1 Ų43.156%0.55621%0.206SC*.SBendtrans-81.9-36.8168.5-58.9-152.2134.500112.7L257 K372 N373L257-E263 WeakPolarHBondContact CD2-O 3.32Å; E263-K372 HydrophobicContact CB-CD 4.28Å; E263-K372 IonicContact OE1-NZ 2.63Å; E263-K372 PolarHBondContact OE1-NZ 3.04Å; E263-K372 IonicContact OE2-NZ 2.65Å; E263-N373 PolarHBondContact O-ND2 3.34Å
264I94.3Very high91.5Very high26 Ų2642.6 Ų42.613%0.13320%0.203CC..SBendtrans-104.9138.6178.1-53.6-56000108.9L257 R262 L266 L268 E269 K372 N373 Y376L257-I264 VanDerWaalsContact CD2-C 3.41Å; R262-I264 VanDerWaalsContact CB-O 3.26Å; R262-I264 WeakPolarHBondContact CB-O 3.43Å; I264-L266 PolarHBondContact O-N 2.63Å; I264-L268 HydrophobicContact CG2-CB 3.98Å; I264-E269 HydrophobicContact CB-CB 4.45Å; I264-E269 HydrophobicContact CG2-CB 3.97Å; I264-K372 HydrophobicContact CD1-CB 4.14Å; I264-K372 WeakPolarHBondContact CD1-O 3.45Å; I264-N373 WeakPolarHBondContact CA-OD1 3.25Å; I264-Y376 HydrophobicContact CD1-CD2 4.17Å; I264-Y376 HydrophobicContact CD1-CG 4.13Å; I264-Y376 HydrophobicContact CG1-CD2 4.01Å; I264-Y376 HydrophobicContact CG1-CE2 4.44Å; I264-Y376 HydrophobicContact CG1-CG 4.26Å; I264-Y376 HydrophobicContact CG2-CD1 3.77Å; I264-Y376 HydrophobicContact CG2-CD2 4.29Å; I264-Y376 HydrophobicContact CG2-CE1 3.99Å; I264-Y376 HydrophobicContact CG2-CE2 4.5Å; I264-Y376 HydrophobicContact CG2-CG 3.94Å
265A94.3Very high91.5Very high0 Ų037 Ų370%018%0.177CC..  trans-62.4133.3179.900000109.8L253 L257 V267 L268 E269 Y326 N373L253-A265 HydrophobicContact CD1-CB 3.86Å; L257-A265 HydrophobicContact CD2-CB 4.28Å; A265-V267 PolarHBondContact O-N 2.62Å; A265-L268 HydrophobicContact CB-CB 4.22Å; A265-L268 HydrophobicContact CB-CD1 4.08Å; A265-L268 HydrophobicContact CB-CG 4.48Å; A265-L268 WeakPolarHBondContact O-CA 3.25Å; A265-L268 WeakPolarHBondContact O-CB 3.43Å; A265-L268 PolarHBondContact O-N 3.28Å; A265-E269 PolarHBondContact O-N 2.86Å; A265-Y326 HydrophobicContact CB-CE1 3.85Å; A265-N373 PolarHBondContact N-OD1 3.01Å
266L92.6Very high91.7Very high27 Ų2733.1 Ų33.114%0.14116%0.162CC..Hα-helixtrans-47.7-43.2-176.617967.5000113.1H256 I264 V270 F302 L469H256-L266 PolarHBondContact CE1-N 3.06Å; H256-L266 VanDerWaalsContact CE1-N 3.3Å; I264-L266 PolarHBondContact O-N 2.63Å; L266-V270 HydrophobicContact CD1-CG2 3.93Å; L266-V270 HydrophobicContact CG-CG2 4.46Å; L266-V270 VanDerWaalsContact O-CB 3.26Å; L266-V270 WeakPolarHBondContact O-CB 3.32Å; L266-V270 VanDerWaalsContact O-CG2 3.22Å; L266-V270 WeakPolarHBondContact O-CG2 3.23Å; L266-V270 PolarHBondContact O-N 2.87Å; L266-F302 HydrophobicContact CD2-CD1 4.25Å; L266-F302 HydrophobicContact CG-CD1 4.32Å; L266-F302 HydrophobicContact CG-CE1 4.3Å; L266-L469 HydrophobicContact CD1-CD1 3.51Å
267V94.2Very high91.5Very high0 Ų036.2 Ų36.20%018%0.179CC..Hα-helixtrans-69.9-35.1178.9-169.60000112.6V248 Y249 A265 C271 F302 Y326V248-V267 HydrophobicContact CB-CG2 4.49Å; V248-V267 HydrophobicContact CG2-CG2 3.58Å; Y249-V267 HydrophobicContact CE2-CG2 3.95Å; A265-V267 PolarHBondContact O-N 2.62Å; V267-C271 WeakPolarHBondContact O-CB 3.47Å; V267-C271 PolarHBondContact O-N 3.36Å; V267-C271 VanDerWaalsContact O-N 3.11Å; V267-C271 PolarHBondContact O-SG 3.11Å; V267-C271 VanDerWaalsContact O-SG 3.32Å; V267-F302 HydrophobicContact CB-CE1 4.48Å; V267-F302 HydrophobicContact CB-CZ 4.43Å; V267-F302 HydrophobicContact CG1-CD2 4.27Å; V267-F302 HydrophobicContact CG1-CE2 3.92Å; V267-F302 HydrophobicContact CG1-CZ 4.1Å; V267-F302 HydrophobicContact CG2-CB 4.39Å; V267-F302 HydrophobicContact CG2-CD1 3.95Å; V267-F302 HydrophobicContact CG2-CD2 4.26Å; V267-F302 HydrophobicContact CG2-CE1 4.21Å; V267-F302 HydrophobicContact CG2-CE2 4.5Å; V267-F302 HydrophobicContact CG2-CG 3.98Å; V267-F302 HydrophobicContact CG2-CZ 4.47Å; V267-Y326 HydrophobicContact CB-CD1 4.02Å; V267-Y326 HydrophobicContact CB-CD2 4.19Å; V267-Y326 HydrophobicContact CB-CG 3.85Å; V267-Y326 HydrophobicContact CG1-CD1 4.39Å; V267-Y326 HydrophobicContact CG1-CG 4.01Å; V267-Y326 HydrophobicContact CG2-CD2 3.98Å; V267-Y326 HydrophobicContact CG2-CE2 4.41Å; V267-Y326 HydrophobicContact CG2-CG 4.16Å
268L95Very high91.4Very high1 Ų137.5 Ų37.51%0.00519%0.185CC..Hα-helixtrans-67.1-51.2174.8-89.4163.4000110.5I264 A265 C272 L323 Y326 L327 N373 L377I264-L268 HydrophobicContact CG2-CB 3.98Å; A265-L268 HydrophobicContact CB-CB 4.22Å; A265-L268 HydrophobicContact CB-CD1 4.08Å; A265-L268 HydrophobicContact CB-CG 4.48Å; A265-L268 WeakPolarHBondContact O-CA 3.25Å; A265-L268 WeakPolarHBondContact O-CB 3.43Å; A265-L268 PolarHBondContact O-N 3.28Å; L268-C272 WeakPolarHBondContact O-CB 3.44Å; L268-C272 PolarHBondContact O-N 3.09Å; L268-C272 PolarHBondContact O-SG 3.26Å; L268-L323 HydrophobicContact CD2-CD1 3.79Å; L268-L323 HydrophobicContact CG-CD1 4.19Å; L268-Y326 HydrophobicContact CD1-CE1 4.36Å; L268-Y326 HydrophobicContact CG-CE1 4.43Å; L268-L327 HydrophobicContact CD1-CD2 4.42Å; L268-L327 HydrophobicContact CD2-CD2 4.48Å; L268-N373 HydrophobicContact CD1-CB 3.97Å; L268-N373 WeakPolarHBondContact CD1-OD1 3.49Å; L268-L377 HydrophobicContact CD2-CB 4.01Å; L268-L377 HydrophobicContact CD2-CD1 3.86Å; L268-L377 HydrophobicContact CD2-CD2 4.34Å; L268-L377 HydrophobicContact CD2-CG 4.28Å
269E93.8Very high91.3Very high24 Ų2428.3 Ų28.311%0.11215%0.151CC..Hα-helixtrans-57.1-58.2-179.3-170-164.7131.700111.4R262 I264 A265 A273 Y376 S467R262-E269 IonicContact CZ-OE2 2.82Å; R262-E269 IonicContact NH1-OE1 2.91Å; R262-E269 PolarHBondContact NH1-OE1 2.92Å; R262-E269 IonicContact NH1-OE2 3.06Å; R262-E269 PolarHBondContact NH1-OE2 3.44Å; I264-E269 HydrophobicContact CB-CB 4.45Å; I264-E269 HydrophobicContact CG2-CB 3.97Å; A265-E269 PolarHBondContact O-N 2.86Å; E269-A273 VanDerWaalsContact O-CB 3.26Å; E269-A273 WeakPolarHBondContact O-CB 2.99Å; E269-A273 PolarHBondContact O-N 2.97Å; E269-Y376 PolarHBondContact O-OH 2.74Å; E269-S467 WeakPolarHBondContact OE1-CB 3.34Å; E269-S467 PolarHBondContact OE1-OG 3.08Å
270V92.8Very high91.6Very high0 Ų027.2 Ų27.20%015%0.148CC..Hα-helixtrans-62.8-47.6-177.1171.40000111.7L266 A274 F302 L307 L309 L469L266-V270 HydrophobicContact CD1-CG2 3.93Å; L266-V270 HydrophobicContact CG-CG2 4.46Å; L266-V270 VanDerWaalsContact O-CB 3.26Å; L266-V270 WeakPolarHBondContact O-CB 3.32Å; L266-V270 VanDerWaalsContact O-CG2 3.22Å; L266-V270 WeakPolarHBondContact O-CG2 3.23Å; L266-V270 PolarHBondContact O-N 2.87Å; V270-A274 WeakPolarHBondContact O-CB 3.47Å; V270-A274 PolarHBondContact O-N 2.83Å; V270-F302 HydrophobicContact CB-CE1 3.98Å; V270-F302 HydrophobicContact CB-CZ 3.98Å; V270-F302 HydrophobicContact CG1-CE1 3.96Å; V270-F302 HydrophobicContact CG1-CZ 3.72Å; V270-F302 HydrophobicContact CG2-CE1 4.29Å; V270-L307 HydrophobicContact CB-CD2 4.46Å; V270-L307 HydrophobicContact CG1-CD2 3.66Å; V270-L307 HydrophobicContact CG2-CD2 4.03Å; V270-L309 HydrophobicContact CG1-CD1 3.79Å; V270-L309 HydrophobicContact CG1-CG 4.48Å; V270-L469 HydrophobicContact CG2-CB 4.37Å; V270-L469 HydrophobicContact CG2-CD1 3.89Å
271C94.4Very high91.9Very high1 Ų131.5 Ų31.51%0.00717%0.168CC..Hα-helixtrans-71.6-38-176.8-67.10000112.8V267 L275 I319 L323V267-C271 WeakPolarHBondContact O-CB 3.47Å; V267-C271 PolarHBondContact O-N 3.36Å; V267-C271 VanDerWaalsContact O-N 3.11Å; V267-C271 PolarHBondContact O-SG 3.11Å; V267-C271 VanDerWaalsContact O-SG 3.32Å; C271-L275 WeakPolarHBondContact O-CB 3.49Å; C271-L275 WeakPolarHBondContact O-CG 3.41Å; C271-L275 PolarHBondContact O-N 3.01Å; C271-I319 HydrophobicContact CB-CG2 3.72Å; C271-L323 HydrophobicContact CB-CB 3.85Å; C271-L323 HydrophobicContact CB-CD1 4.19Å; C271-L323 HydrophobicContact CB-CD2 3.99Å; C271-L323 HydrophobicContact CB-CG 4.22Å
272C95Very high92.2Very high0 Ų026.6 Ų26.60%014%0.135CC..Hα-helixtrans-69.3-37.2177.2-68.40000112L268 T276 Y376 F380 F465L268-C272 WeakPolarHBondContact O-CB 3.44Å; L268-C272 PolarHBondContact O-N 3.09Å; L268-C272 PolarHBondContact O-SG 3.26Å; C272-T276 WeakPolarHBondContact O-CB 3.41Å; C272-T276 PolarHBondContact O-N 3.31Å; C272-T276 PolarHBondContact O-OG1 3.2Å; C272-Y376 HydrophobicContact CB-CE1 3.74Å; C272-F380 HydrophobicContact CB-CB 4.2Å; C272-F380 HydrophobicContact CB-CD1 4.27Å; C272-F380 HydrophobicContact CB-CD2 3.71Å; C272-F380 HydrophobicContact CB-CE2 4.21Å; C272-F380 HydrophobicContact CB-CG 3.76Å; C272-F380 VanDerWaalsContact O-CE2 3.22Å; C272-F380 WeakPolarHBondContact O-CE2 3.31Å; C272-F465 HydrophobicContact CB-CD1 4.04Å
273A92.9Very high92.4Very high3 Ų328.6 Ų28.63%0.02515%0.147CC..Hα-helixtrans-67.5-48.9175.400000111.6E269 L275 T276 D277 F465 I470E269-A273 VanDerWaalsContact O-CB 3.26Å; E269-A273 WeakPolarHBondContact O-CB 2.99Å; E269-A273 PolarHBondContact O-N 2.97Å; A273-L275 VanDerWaalsContact C-N 3.34Å; A273-L275 PolarHBondContact O-N 2.97Å; A273-T276 WeakPolarHBondContact O-CB 3.32Å; A273-T276 PolarHBondContact O-N 3.27Å; A273-D277 PolarHBondContact O-N 3.46Å; A273-F465 WeakPolarHBondContact CA-O 3.41Å; A273-F465 HydrophobicContact CB-CB 4.49Å; A273-F465 WeakPolarHBondContact CB-O 3.44Å; A273-I470 HydrophobicContact CB-CD1 3.25Å
274A91.7Very high92.4Very high0 Ų023 Ų230%012%0.121CC..Hα-helixtrans-62-40176.800000112.2V270 T276 D277 I278 L309 I319 I470V270-A274 WeakPolarHBondContact O-CB 3.47Å; V270-A274 PolarHBondContact O-N 2.83Å; A274-T276 VanDerWaalsContact C-N 3.27Å; A274-T276 PolarHBondContact O-N 3.3Å; A274-D277 PolarHBondContact O-N 2.95Å; A274-I278 WeakPolarHBondContact O-CG1 3.4Å; A274-I278 PolarHBondContact O-N 3.37Å; A274-L309 HydrophobicContact CB-CD1 4.08Å; A274-I319 HydrophobicContact CB-CD1 4.08Å; A274-I470 HydrophobicContact CB-CD1 4.05Å; A274-I470 VanDerWaalsContact N-CD1 3.28Å
275L93.9Very high92.3Very high0 Ų021.7 Ų21.70%011%0.114CC..Hα-helixtrans-72.7-17174.9-69176.7000114.1C271 A273 G279 L280 L285 F286 P316 I319 A320 L323 F380C271-L275 WeakPolarHBondContact O-CB 3.49Å; C271-L275 WeakPolarHBondContact O-CG 3.41Å; C271-L275 PolarHBondContact O-N 3.01Å; A273-L275 VanDerWaalsContact C-N 3.34Å; A273-L275 PolarHBondContact O-N 2.97Å; L275-G279 CarbonylContact O-C 3.36Å; L275-G279 WeakPolarHBondContact O-CA 3.43Å; L275-G279 PolarHBondContact O-N 3.34Å; L275-G279 VanDerWaalsContact O-N 3.11Å; L275-L280 PolarHBondContact O-N 3.26Å; L275-L280 VanDerWaalsContact O-N 3.16Å; L275-L285 HydrophobicContact CD2-CD1 4Å; L275-F286 HydrophobicContact CD1-CE1 4.13Å; L275-F286 HydrophobicContact CD1-CE2 4.35Å; L275-F286 HydrophobicContact CD1-CZ 3.56Å; L275-P316 HydrophobicContact CD2-CB 3.72Å; L275-P316 WeakPolarHBondContact CD2-O 3.35Å; L275-I319 HydrophobicContact CD1-CG2 4.18Å; L275-I319 HydrophobicContact CD2-CB 3.94Å; L275-I319 HydrophobicContact CD2-CG2 4.09Å; L275-I319 HydrophobicContact CG-CB 4.22Å; L275-I319 HydrophobicContact CG-CG2 3.79Å; L275-A320 HydrophobicContact CD1-CB 4.03Å; L275-L323 HydrophobicContact CD1-CD2 4.45Å; L275-F380 HydrophobicContact CB-CE2 3.97Å; L275-F380 HydrophobicContact CB-CZ 3.59Å; L275-F380 HydrophobicContact CD1-CZ 4.17Å
276T92.6Very high92.3Very high23 Ų2321.8 Ų21.814%0.14112%0.115CC..Hα-helixtrans-75-33.4171.4-66.10000111.4C272 A273 A274 L280 F380 K383 F465C272-T276 WeakPolarHBondContact O-CB 3.41Å; C272-T276 PolarHBondContact O-N 3.31Å; C272-T276 PolarHBondContact O-OG1 3.2Å; A273-T276 WeakPolarHBondContact O-CB 3.32Å; A273-T276 PolarHBondContact O-N 3.27Å; A274-T276 VanDerWaalsContact C-N 3.27Å; A274-T276 PolarHBondContact O-N 3.3Å; T276-L280 HydrophobicContact CG2-CD1 4.28Å; T276-L280 WeakPolarHBondContact O-CD1 3.22Å; T276-F380 WeakPolarHBondContact OG1-CE2 3.4Å; T276-K383 HydrophobicContact CG2-CD 4.24Å; T276-F465 HydrophobicContact CG2-CB 4.11Å; T276-F465 VanDerWaalsContact OG1-CB 3.3Å; T276-F465 WeakPolarHBondContact OG1-CB 3.43Å
277D87.8Confident92.4Very high71 Ų7125.8 Ų25.838%0.3813%0.128SC..Hα-helixtrans-80.2-66.5-179.5-172.661000111.5A273 A274 H474A273-D277 PolarHBondContact O-N 3.46Å; A274-D277 PolarHBondContact O-N 2.95Å; D277-H474 VanDerWaalsContact CG-NE2 3.27Å; D277-H474 IonicContact OD1-CE1 3.84Å; D277-H474 IonicContact OD1-NE2 2.82Å; D277-H474 PolarHBondContact OD1-NE2 3.43Å; D277-H474 IonicContact OD2-CE1 3.05Å; D277-H474 PolarHBondContact OD2-CE1 2.93Å; D277-H474 IonicContact OD2-NE2 2.64Å; D277-H474 PolarHBondContact OD2-NE2 2.88Å
278I88.3Confident92.3Very high39 Ų3929.3 Ų29.320%0.215%0.146CC..THydrogen-bonded Turntrans-90.8-23.7-178.258.5159.7000114.2A274 E313 P316 I319A274-I278 WeakPolarHBondContact O-CG1 3.4Å; A274-I278 PolarHBondContact O-N 3.37Å; I278-E313 WeakPolarHBondContact CD1-O 3.38Å; I278-P316 HydrophobicContact CD1-CB 4.41Å; I278-I319 HydrophobicContact CD1-CD1 3.97Å
279G86.5Confident92.1Very high0 Ų033.5 Ų33.50%017%0.173CC..G310 helixtrans-86-25-163.900000115.8L275 N281 A282L275-G279 CarbonylContact O-C 3.36Å; L275-G279 WeakPolarHBondContact O-CA 3.43Å; L275-G279 PolarHBondContact O-N 3.34Å; L275-G279 VanDerWaalsContact O-N 3.11Å; G279-N281 PolarHBondContact O-N 3.44Å; G279-N281 VanDerWaalsContact O-N 3.16Å; G279-A282 WeakPolarHBondContact O-CB 3.31Å; G279-A282 PolarHBondContact O-N 3.33Å; G279-A282 VanDerWaalsContact O-N 3.12Å
280L91.6Very high91.9Very high22 Ų2233 Ų3312%0.11518%0.175CC..G310 helixtrans-67.8-15.4-174.8-64.9-178.4000114L275 T276 K383 V384 N387 T391L275-L280 PolarHBondContact O-N 3.26Å; L275-L280 VanDerWaalsContact O-N 3.16Å; T276-L280 HydrophobicContact CG2-CD1 4.28Å; T276-L280 WeakPolarHBondContact O-CD1 3.22Å; L280-K383 HydrophobicContact CD1-CD 4.18Å; L280-K383 HydrophobicContact CD1-CG 4.22Å; L280-V384 HydrophobicContact CD2-CG2 3.88Å; L280-N387 PolarHBondContact O-ND2 3.05Å; L280-T391 WeakPolarHBondContact O-CG2 3.26Å
281N90.2Very high91.9Very high121 Ų12137.2 Ų37.265%0.64720%0.197SC*.G310 helixtrans-92.4-3.2177-65-36.7000113.7G279G279-N281 PolarHBondContact O-N 3.44Å; G279-N281 VanDerWaalsContact O-N 3.16Å
282A92.2Very high91.7Very high14 Ų1441 Ų4112%0.11622%0.223CC..  trans-87.7123-176.200000112.8G279 L285 P316G279-A282 WeakPolarHBondContact O-CB 3.31Å; G279-A282 PolarHBondContact O-N 3.33Å; G279-A282 VanDerWaalsContact O-N 3.12Å; A282-L285 HydrophobicContact CB-CD1 4.41Å; A282-P316 HydrophobicContact CB-CB 4.44Å; A282-P316 HydrophobicContact CB-CG 3.78Å
283E93.4Very high91.6Very high110 Ų11046.4 Ų46.451%0.51425%0.252SS..THydrogen-bonded Turntrans-64.1137.7173-63.5-151.6154.700111.7L285 I288 H317 T391 K392E283-L285 VanDerWaalsContact C-N 3.3Å; E283-L285 PolarHBondContact O-N 2.87Å; E283-I288 WeakPolarHBondContact O-CD1 3.36Å; E283-H317 PolarHBondContact O-CE1 3.31Å; E283-H317 VanDerWaalsContact O-CE1 3.32Å; E283-T391 CarbonylContact C-O 3.58Å; E283-K392 HydrophobicContact CB-CG 4.38Å; E283-K392 HydrophobicContact CG-CG 4.27Å; E283-K392 WeakPolarHBondContact OE1-CE 3.21Å; E283-K392 IonicContact OE1-NZ 3.37Å
284G92.8Very high91.5Very high0 Ų049.2 Ų49.20%026%0.264CS..THydrogen-bonded Turntrans63.631.6179.200000113.9F286 R287 I288 T391G284-F286 PolarHBondContact O-N 2.9Å; G284-R287 WeakPolarHBondContact O-CA 3.39Å; G284-R287 WeakPolarHBondContact O-CB 3.44Å; G284-R287 PolarHBondContact O-N 3.11Å; G284-I288 PolarHBondContact O-N 3.39Å; G284-T391 PolarHBondContact N-O 2.89Å
285L92.8Very high91.6Very high0 Ų049.9 Ų49.90%027%0.268CS..THydrogen-bonded Turntrans-50.4137.9173-167.868.7000110.7L275 A282 E283 R287 P316 A320 V384 M393L275-L285 HydrophobicContact CD2-CD1 4Å; A282-L285 HydrophobicContact CB-CD1 4.41Å; E283-L285 VanDerWaalsContact C-N 3.3Å; E283-L285 PolarHBondContact O-N 2.87Å; L285-R287 PolarHBondContact O-N 2.91Å; L285-P316 HydrophobicContact CD1-CB 4.21Å; L285-A320 HydrophobicContact CD1-CB 3.99Å; L285-V384 HydrophobicContact CD2-CG1 4.09Å; L285-V384 HydrophobicContact CD2-CG2 4.06Å; L285-M393 VanDerWaalsContact O-CG 3.3Å; L285-M393 WeakPolarHBondContact O-CG 3.45Å
286F94.7Very high91.6Very high1 Ų156.5 Ų56.50%0.00429%0.293CS..THydrogen-bonded Turntrans60.3-25.3-167.5-57-75.7000117.2L275 G284 A320 L323 K324 F380 L381 V384 L398 I401 F402L275-F286 HydrophobicContact CD1-CE1 4.13Å; L275-F286 HydrophobicContact CD1-CE2 4.35Å; L275-F286 HydrophobicContact CD1-CZ 3.56Å; G284-F286 PolarHBondContact O-N 2.9Å; F286-A320 HydrophobicContact CD1-CB 3.6Å; F286-A320 HydrophobicContact CE1-CB 3.55Å; F286-A320 HydrophobicContact CG-CB 4.21Å; F286-A320 HydrophobicContact CZ-CB 4.1Å; F286-L323 HydrophobicContact CE1-CD2 4.06Å; F286-L323 HydrophobicContact CZ-CD2 4.06Å; F286-K324 HydrophobicContact CB-CD 4.29Å; F286-K324 HydrophobicContact CD1-CD 3.94Å; F286-K324 HydrophobicContact CD1-CG 3.85Å; F286-K324 HydrophobicContact CE1-CG 4.43Å; F286-K324 PolarHBondContact O-NZ 2.93Å; F286-F380 AromaticContact CE2-CE1 3.73Å; F286-F380 HydrophobicContact CE2-CE1 3.73Å; F286-F380 HydrophobicContact CE2-CZ 4.3Å; F286-F380 AromaticContact CZ-CE1 3.7Å; F286-F380 HydrophobicContact CZ-CE1 3.7Å; F286-F380 HydrophobicContact CZ-CZ 4.32Å; F286-L381 HydrophobicContact CD2-CD2 4.46Å; F286-L381 HydrophobicContact CE2-CD2 4.15Å; F286-V384 HydrophobicContact CE2-CG2 4.47Å; F286-L398 HydrophobicContact CB-CD2 4.38Å; F286-L398 HydrophobicContact CD2-CD2 3.95Å; F286-I401 HydrophobicContact CB-CD1 4.38Å; F286-I401 HydrophobicContact CB-CG2 4.33Å; F286-F402 HydrophobicContact CB-CE2 4.08Å; F286-F402 AromaticContact CD1-CE2 3.81Å; F286-F402 HydrophobicContact CD1-CE2 3.81Å; F286-F402 AromaticContact CD1-CZ 3.57Å; F286-F402 HydrophobicContact CD1-CZ 3.57Å; F286-F402 HydrophobicContact CD2-CE2 4.03Å; F286-F402 HydrophobicContact CD2-CZ 4.35Å; F286-F402 HydrophobicContact CE1-CE2 4.28Å; F286-F402 AromaticContact CE1-CZ 3.68Å; F286-F402 HydrophobicContact CE1-CZ 3.68Å; F286-F402 HydrophobicContact CE2-CE2 4.48Å; F286-F402 HydrophobicContact CE2-CZ 4.45Å; F286-F402 AromaticContact CG-CE2 3.68Å; F286-F402 HydrophobicContact CG-CE2 3.68Å; F286-F402 AromaticContact CG-CZ 3.93Å; F286-F402 HydrophobicContact CG-CZ 3.93Å; F286-F402 HydrophobicContact CZ-CZ 4.14Å
287R94Very high91.6Very high112 Ų11261 Ų6142%0.42331%0.307SS..THydrogen-bonded Turntrans-76.7-50.2175.7-176.9177.169.8-143.70.3111.8G284 L285 K392 M393 I401G284-R287 WeakPolarHBondContact O-CA 3.39Å; G284-R287 WeakPolarHBondContact O-CB 3.44Å; G284-R287 PolarHBondContact O-N 3.11Å; L285-R287 PolarHBondContact O-N 2.91Å; R287-K392 PolarHBondContact NH1-O 2.97Å; R287-M393 HydrophobicContact CB-CE 3.94Å; R287-M393 HydrophobicContact CB-SD 3.66Å; R287-I401 HydrophobicContact CB-CD1 3.89Å
288I92.8Very high91.8Very high73 Ų7357.6 Ų57.637%0.37429%0.289SS..SBendtrans-74.1130.1177.5-62-179.4000109E283 G284E283-I288 WeakPolarHBondContact O-CD1 3.36Å; G284-I288 PolarHBondContact O-N 3.39Å
289P91.2Very high92Very high90 Ų9057.8 Ų57.858%0.58429%0.288SS*.PPolyproline II helixtrans-75.5126.1174.730.4-32.9000110.8
290G89.6Confident92.3Very high14 Ų1461.7 Ų61.714%0.14431%0.312CS..PPolyproline II helixtrans-68.5168.1168.500000112.8S292 H317G290-S292 PolarHBondContact O-N 2.93Å; G290-S292 VanDerWaalsContact O-N 3.08Å; G290-H317 VanDerWaalsContact CA-C 3.46Å; G290-H317 VanDerWaalsContact CA-CB 3.46Å; G290-H317 WeakPolarHBondContact CA-O 3.38Å; G290-H317 PolarHBondContact N-O 3.19Å
291N91.2Very high92.4Very high87 Ų8761.4 Ų61.447%0.46531%0.313SS..PPolyproline II helixtrans-56.4116.5179178.6-30.1000110.7L293 K294 V295N291-L293 PolarHBondContact O-N 3.41Å; N291-L293 VanDerWaalsContact O-N 3.16Å; N291-L293 WeakPolarHBondContact OD1-CB 3.48Å; N291-L293 PolarHBondContact OD1-N 3.36Å; N291-K294 HydrophobicContact CB-CB 4.18Å; N291-K294 HydrophobicContact CB-CD 4.3Å; N291-K294 HydrophobicContact CB-CG 4.41Å; N291-K294 WeakPolarHBondContact O-CA 3.03Å; N291-K294 WeakPolarHBondContact O-CB 3.09Å; N291-K294 PolarHBondContact O-N 3.27Å; N291-K294 PolarHBondContact OD1-N 3.29Å; N291-V295 WeakPolarHBondContact O-CG2 3.42Å; N291-V295 PolarHBondContact O-N 3.21Å
292S91.4Very high92.5Very high80 Ų8055.8 Ų55.856%0.55928%0.283SS*.Hα-helixtrans-63.6-23.7-172.262.70000114G290 R296G290-S292 PolarHBondContact O-N 2.93Å; G290-S292 VanDerWaalsContact O-N 3.08Å; S292-R296 VanDerWaalsContact O-CB 3.25Å; S292-R296 WeakPolarHBondContact O-CB 3.49Å; S292-R296 PolarHBondContact O-N 3.39Å; S292-R296 VanDerWaalsContact O-N 3.1Å
293L92.1Very high92.5Very high115 Ų11556.7 Ų56.760%0.60229%0.286SS*.Hα-helixtrans-74.6-41.1172.5-176.561.6000111.4N291 R296 R297N291-L293 PolarHBondContact O-N 3.41Å; N291-L293 VanDerWaalsContact O-N 3.16Å; N291-L293 WeakPolarHBondContact OD1-CB 3.48Å; N291-L293 PolarHBondContact OD1-N 3.36Å; L293-R296 PolarHBondContact O-N 3.45Å; L293-R297 WeakPolarHBondContact O-CB 3.15Å; L293-R297 PolarHBondContact O-N 2.86Å
294K92Very high92.2Very high62 Ų6253.9 Ų53.927%0.2728%0.281SS..Hα-helixtrans-65.4-45173.2-82.9-177.6172.9-171.90111.9N291 R296 R297 L298 F312 D315 A318N291-K294 HydrophobicContact CB-CB 4.18Å; N291-K294 HydrophobicContact CB-CD 4.3Å; N291-K294 HydrophobicContact CB-CG 4.41Å; N291-K294 WeakPolarHBondContact O-CA 3.03Å; N291-K294 WeakPolarHBondContact O-CB 3.09Å; N291-K294 PolarHBondContact O-N 3.27Å; N291-K294 PolarHBondContact OD1-N 3.29Å; K294-R296 VanDerWaalsContact C-N 3.29Å; K294-R296 PolarHBondContact O-N 3.28Å; K294-R297 PolarHBondContact O-N 3.17Å; K294-R297 VanDerWaalsContact O-N 3.16Å; K294-L298 WeakPolarHBondContact O-CB 3.4Å; K294-L298 PolarHBondContact O-N 2.83Å; K294-F312 HydrophobicContact CB-CE1 3.97Å; K294-F312 HydrophobicContact CG-CE1 4.25Å; K294-D315 HydrophobicContact CD-CB 4.19Å; K294-D315 WeakPolarHBondContact CD-OD2 3.37Å; K294-D315 WeakPolarHBondContact CE-OD2 3.44Å; K294-D315 VanDerWaalsContact NZ-CB 3.33Å; K294-D315 IonicContact NZ-OD2 3.54Å; K294-D315 PolarHBondContact NZ-OD2 3.39Å; K294-A318 HydrophobicContact CB-CB 3.84Å; K294-A318 HydrophobicContact CD-CB 4.41Å
295V92.9Very high91.9Very high13 Ų1355.4 Ų55.48%0.07930%0.297CS..Hα-helixtrans-55.4-46.3173.6175.30000110.7N291 L298 K299 A318N291-V295 WeakPolarHBondContact O-CG2 3.42Å; N291-V295 PolarHBondContact O-N 3.21Å; V295-L298 PolarHBondContact O-N 2.85Å; V295-K299 PolarHBondContact O-N 2.99Å; V295-A318 HydrophobicContact CG2-CB 4.24Å
296R93.3Very high91.5Very high140 Ų14060.9 Ų60.953%0.52832%0.323SS..Hα-helixtrans-63.2-42.4177.1-172.4-175.7-60.2174.7-0.5112.2S292 L293 K294 T300S292-R296 VanDerWaalsContact O-CB 3.25Å; S292-R296 WeakPolarHBondContact O-CB 3.49Å; S292-R296 PolarHBondContact O-N 3.39Å; S292-R296 VanDerWaalsContact O-N 3.1Å; L293-R296 PolarHBondContact O-N 3.45Å; K294-R296 VanDerWaalsContact C-N 3.29Å; K294-R296 PolarHBondContact O-N 3.28Å; R296-T300 PolarHBondContact O-N 3.2Å; R296-T300 PolarHBondContact O-OG1 3.05Å
297R92.1Very high90.9Very high117 Ų11763.1 Ų63.144%0.44233%0.334SS..Hα-helixtrans-63.4-48.1176.7-179.2178.4172.4-173.2-6.8111.6L293 K294 K299 T300 A301 E311 F312L293-R297 WeakPolarHBondContact O-CB 3.15Å; L293-R297 PolarHBondContact O-N 2.86Å; K294-R297 PolarHBondContact O-N 3.17Å; K294-R297 VanDerWaalsContact O-N 3.16Å; R297-K299 VanDerWaalsContact C-N 3.33Å; R297-K299 PolarHBondContact O-N 3.08Å; R297-T300 WeakPolarHBondContact CA-OG1 3.2Å; R297-T300 CarbonylContact O-C 3.55Å; R297-T300 PolarHBondContact O-N 3.33Å; R297-T300 VanDerWaalsContact O-N 3.07Å; R297-T300 PolarHBondContact O-OG1 3.39Å; R297-A301 WeakPolarHBondContact O-CB 3.49Å; R297-A301 PolarHBondContact O-N 3.49Å; R297-E311 IonicContact CZ-OE1 2.72Å; R297-E311 VanDerWaalsContact CZ-OE1 3.25Å; R297-E311 IonicContact CZ-OE2 3.19Å; R297-E311 IonicContact NH1-OE1 2.63Å; R297-E311 PolarHBondContact NH1-OE1 3.18Å; R297-E311 IonicContact NH1-OE2 3.76Å; R297-E311 PolarHBondContact NH1-OE2 3.45Å; R297-E311 IonicContact NH2-OE1 3.44Å; R297-E311 PolarHBondContact NH2-OE1 3.43Å; R297-E311 IonicContact NH2-OE2 2.72Å; R297-F312 HydrophobicContact CG-CZ 4.49Å
298L92.7Very high90.3Very high0 Ų061.3 Ų61.30%033%0.333CS..Hα-helixtrans-62-41.4179.3-176.354.8000111.1K294 V295 T300 A301 F302 L307 L309 F312 I319 A322K294-L298 WeakPolarHBondContact O-CB 3.4Å; K294-L298 PolarHBondContact O-N 2.83Å; V295-L298 PolarHBondContact O-N 2.85Å; L298-T300 PolarHBondContact O-N 3.31Å; L298-A301 WeakPolarHBondContact O-CB 3.32Å; L298-A301 PolarHBondContact O-N 2.89Å; L298-F302 HydrophobicContact CD1-CD2 4.07Å; L298-F302 HydrophobicContact CD1-CE2 3.77Å; L298-F302 HydrophobicContact CD2-CE2 4.4Å; L298-F302 HydrophobicContact CG-CD2 4.05Å; L298-F302 HydrophobicContact CG-CE2 3.79Å; L298-F302 WeakPolarHBondContact O-CD2 3.22Å; L298-F302 PolarHBondContact O-N 3.43Å; L298-L307 HydrophobicContact CD1-CD1 3.83Å; L298-L309 HydrophobicContact CD1-CD2 4.02Å; L298-F312 HydrophobicContact CB-CE1 3.79Å; L298-F312 HydrophobicContact CB-CZ 3.82Å; L298-F312 HydrophobicContact CD1-CE2 4.22Å; L298-F312 HydrophobicContact CD1-CZ 4.27Å; L298-F312 HydrophobicContact CD2-CD1 4.3Å; L298-F312 HydrophobicContact CD2-CE1 4.34Å; L298-F312 HydrophobicContact CG-CE1 4.47Å; L298-F312 HydrophobicContact CG-CZ 4.49Å; L298-I319 HydrophobicContact CD2-CB 4.42Å; L298-I319 HydrophobicContact CD2-CG1 4.1Å; L298-A322 HydrophobicContact CB-CB 4.4Å; L298-A322 HydrophobicContact CD2-CB 3.74Å; L298-A322 HydrophobicContact CG-CB 4.05Å
299K93.2Very high89.7Confident42 Ų4258.2 Ų58.218%0.18332%0.317CS..Hα-helixtrans-54.4-51.8168.2166.6166.9-178.4167.30111.8Y249 V295 R297 A301 F302 D303 E329Y249-K299 HydrophobicContact CD1-CD 3.61Å; Y249-K299 HydrophobicContact CD1-CG 4.01Å; Y249-K299 HydrophobicContact CD2-CD 4.18Å; Y249-K299 HydrophobicContact CD2-CG 3.78Å; Y249-K299 HydrophobicContact CE1-CB 4.17Å; Y249-K299 HydrophobicContact CE1-CD 3.95Å; Y249-K299 HydrophobicContact CE1-CG 4.03Å; Y249-K299 HydrophobicContact CE2-CB 4.1Å; Y249-K299 HydrophobicContact CE2-CG 3.86Å; Y249-K299 HydrophobicContact CG-CD 3.75Å; Y249-K299 VanDerWaalsContact CG-CE 3.46Å; Y249-K299 HydrophobicContact CG-CG 3.89Å; V295-K299 PolarHBondContact O-N 2.99Å; R297-K299 VanDerWaalsContact C-N 3.33Å; R297-K299 PolarHBondContact O-N 3.08Å; K299-A301 VanDerWaalsContact C-N 3.29Å; K299-A301 PolarHBondContact O-N 3.15Å; K299-F302 PolarHBondContact O-N 3.32Å; K299-D303 WeakPolarHBondContact CE-OD2 3.28Å; K299-D303 WeakPolarHBondContact CG-OD2 3.38Å; K299-D303 IonicContact NZ-OD2 3.86Å; K299-D303 PolarHBondContact O-N 3.41Å; K299-E329 IonicContact NZ-OE2 2.9Å; K299-E329 PolarHBondContact NZ-OE2 3.34Å
300T93.1Very high89.2Confident82 Ų8256.3 Ų56.350%0.50331%0.307SS..Hα-helixtrans-67.9-26.6-178.247.70000113.9R296 R297 L298 A304R296-T300 PolarHBondContact O-N 3.2Å; R296-T300 PolarHBondContact O-OG1 3.05Å; R297-T300 WeakPolarHBondContact CA-OG1 3.2Å; R297-T300 CarbonylContact O-C 3.55Å; R297-T300 PolarHBondContact O-N 3.33Å; R297-T300 VanDerWaalsContact O-N 3.07Å; R297-T300 PolarHBondContact O-OG1 3.39Å; L298-T300 PolarHBondContact O-N 3.31Å; T300-A304 WeakPolarHBondContact O-CB 3.4Å; T300-A304 PolarHBondContact O-N 3.28Å; T300-A304 VanDerWaalsContact O-N 3.1Å
301A92.1Very high88.6Confident17 Ų1760.6 Ų60.614%0.1432%0.323CS..Hα-helixtrans-66.4-50.3172.200000110.9R297 L298 K299 D303 A304 G305 E306R297-A301 WeakPolarHBondContact O-CB 3.49Å; R297-A301 PolarHBondContact O-N 3.49Å; L298-A301 WeakPolarHBondContact O-CB 3.32Å; L298-A301 PolarHBondContact O-N 2.89Å; K299-A301 VanDerWaalsContact C-N 3.29Å; K299-A301 PolarHBondContact O-N 3.15Å; A301-D303 PolarHBondContact O-N 2.68Å; A301-A304 PolarHBondContact O-N 3.5Å; A301-G305 PolarHBondContact O-N 3.1Å; A301-G305 VanDerWaalsContact O-N 3.08Å; A301-E306 VanDerWaalsContact CB-O 3.31Å; A301-E306 WeakPolarHBondContact CB-O 3.43Å; A301-E306 PolarHBondContact O-N 3.09Å; A301-E306 VanDerWaalsContact O-N 3.08Å
302F92Very high88Confident3 Ų356.7 Ų56.71%0.01330%0.301CS..Hα-helixtrans-57.4-45.3171.4-81.1-62.3000112.6V248 Y249 L266 V267 V270 L298 K299 A304 G305 L307V248-F302 HydrophobicContact CG2-CB 3.88Å; Y249-F302 HydrophobicContact CE2-CB 3.84Å; Y249-F302 HydrophobicContact CE2-CD2 4.19Å; Y249-F302 HydrophobicContact CE2-CG 4.33Å; L266-F302 HydrophobicContact CD2-CD1 4.25Å; L266-F302 HydrophobicContact CG-CD1 4.32Å; L266-F302 HydrophobicContact CG-CE1 4.3Å; V267-F302 HydrophobicContact CB-CE1 4.48Å; V267-F302 HydrophobicContact CB-CZ 4.43Å; V267-F302 HydrophobicContact CG1-CD2 4.27Å; V267-F302 HydrophobicContact CG1-CE2 3.92Å; V267-F302 HydrophobicContact CG1-CZ 4.1Å; V267-F302 HydrophobicContact CG2-CB 4.39Å; V267-F302 HydrophobicContact CG2-CD1 3.95Å; V267-F302 HydrophobicContact CG2-CD2 4.26Å; V267-F302 HydrophobicContact CG2-CE1 4.21Å; V267-F302 HydrophobicContact CG2-CE2 4.5Å; V267-F302 HydrophobicContact CG2-CG 3.98Å; V267-F302 HydrophobicContact CG2-CZ 4.47Å; V270-F302 HydrophobicContact CB-CE1 3.98Å; V270-F302 HydrophobicContact CB-CZ 3.98Å; V270-F302 HydrophobicContact CG1-CE1 3.96Å; V270-F302 HydrophobicContact CG1-CZ 3.72Å; V270-F302 HydrophobicContact CG2-CE1 4.29Å; L298-F302 HydrophobicContact CD1-CD2 4.07Å; L298-F302 HydrophobicContact CD1-CE2 3.77Å; L298-F302 HydrophobicContact CD2-CE2 4.4Å; L298-F302 HydrophobicContact CG-CD2 4.05Å; L298-F302 HydrophobicContact CG-CE2 3.79Å; L298-F302 WeakPolarHBondContact O-CD2 3.22Å; L298-F302 PolarHBondContact O-N 3.43Å; K299-F302 PolarHBondContact O-N 3.32Å; F302-A304 PolarHBondContact O-N 2.98Å; F302-G305 PolarHBondContact O-N 3.4Å; F302-L307 HydrophobicContact CD1-CD1 4.21Å; F302-L307 HydrophobicContact CE1-CD1 3.95Å; F302-L307 HydrophobicContact CE1-CD2 4.07Å; F302-L307 HydrophobicContact CE2-CD1 4.4Å; F302-L307 HydrophobicContact CZ-CD1 4.05Å
303D92.2Very high87.1Confident33 Ų3356.3 Ų56.318%0.17629%0.291CS..Hα-helixtrans-67.4-20.2179.7-77.3-30.4000113.6P247 V248 Y249 K299 A301P247-D303 WeakPolarHBondContact CA-O 3.35Å; P247-D303 HydrophobicContact CB-CB 4.18Å; V248-D303 PolarHBondContact N-OD1 3.33Å; Y249-D303 WeakPolarHBondContact CD2-OD1 3.48Å; Y249-D303 PolarHBondContact N-OD1 2.99Å; K299-D303 WeakPolarHBondContact CE-OD2 3.28Å; K299-D303 WeakPolarHBondContact CG-OD2 3.38Å; K299-D303 IonicContact NZ-OD2 3.86Å; K299-D303 PolarHBondContact O-N 3.41Å; A301-D303 PolarHBondContact O-N 2.68Å
304A88.8Confident86.2Confident50 Ų5058.9 Ų58.941%0.41330%0.298SS..Hα-helixtrans-91.8-16.7174.700000113.6T300 A301 F302 E306T300-A304 WeakPolarHBondContact O-CB 3.4Å; T300-A304 PolarHBondContact O-N 3.28Å; T300-A304 VanDerWaalsContact O-N 3.1Å; A301-A304 PolarHBondContact O-N 3.5Å; F302-A304 PolarHBondContact O-N 2.98Å; A304-E306 HydrophobicContact CB-CB 4.31Å; A304-E306 HydrophobicContact CB-CG 4.28Å
305G85.7Confident86Confident33 Ų3357 Ų5734%0.3429%0.291SS..THydrogen-bonded Turntrans7217-167.600000114A301 F302A301-G305 PolarHBondContact O-N 3.1Å; A301-G305 VanDerWaalsContact O-N 3.08Å; F302-G305 PolarHBondContact O-N 3.4Å
306E84.3Confident86Confident114 Ų11457.2 Ų57.253%0.53329%0.292SS..  trans-113.277-179.8-63.1-64.1176.500109R245 A301 A304R245-E306 IonicContact CZ-OE1 2.66Å; R245-E306 IonicContact NH1-OE1 3.01Å; R245-E306 PolarHBondContact NH1-OE1 2.93Å; R245-E306 IonicContact NH2-OE1 2.67Å; R245-E306 PolarHBondContact NH2-OE1 3.43Å; R245-E306 IonicContact NH2-OE2 3.38Å; R245-E306 PolarHBondContact NH2-OE2 3.33Å; A301-E306 VanDerWaalsContact CB-O 3.31Å; A301-E306 WeakPolarHBondContact CB-O 3.43Å; A301-E306 PolarHBondContact O-N 3.09Å; A301-E306 VanDerWaalsContact O-N 3.08Å; A304-E306 HydrophobicContact CB-CB 4.31Å; A304-E306 HydrophobicContact CB-CG 4.28Å
307L82.9Confident86.1Confident48 Ų4852.4 Ų52.425%0.25128%0.276SS..  trans-96.5114.8-174.7178.173.2000111.3V270 L298 F302 L309 L469V270-L307 HydrophobicContact CB-CD2 4.46Å; V270-L307 HydrophobicContact CG1-CD2 3.66Å; V270-L307 HydrophobicContact CG2-CD2 4.03Å; L298-L307 HydrophobicContact CD1-CD1 3.83Å; F302-L307 HydrophobicContact CD1-CD1 4.21Å; F302-L307 HydrophobicContact CE1-CD1 3.95Å; F302-L307 HydrophobicContact CE1-CD2 4.07Å; F302-L307 HydrophobicContact CE2-CD1 4.4Å; F302-L307 HydrophobicContact CZ-CD1 4.05Å; L307-L309 HydrophobicContact CD1-CD2 3.97Å; L307-L309 HydrophobicContact CD1-CG 4.23Å; L307-L309 HydrophobicContact CG-CG 4.37Å; L307-L469 HydrophobicContact CD2-CB 4.44Å; L307-L469 HydrophobicContact CD2-CD1 4.43Å
308D81.2Confident86.2Confident74 Ų7446.9 Ų46.940%0.39626%0.255SS..  trans-119.1125.7162.4178.24.5000108.5S310 F312D308-S310 VanDerWaalsContact CG-OG 3.27Å; D308-S310 VanDerWaalsContact OD1-CB 3.26Å; D308-S310 WeakPolarHBondContact OD1-CB 3.36Å; D308-S310 PolarHBondContact OD1-N 3.17Å; D308-S310 PolarHBondContact OD1-OG 2.8Å; D308-S310 PolarHBondContact OD2-OG 2.96Å; D308-S310 VanDerWaalsContact OD2-OG 3.09Å; D308-F312 WeakPolarHBondContact O-CE2 3.5Å
309L80.6Confident86.2Confident8 Ų846.9 Ų46.94%0.04226%0.255CS..  trans-98-9.2178.6-74-176.8000114.1V270 A274 L298 L307 E311 F312 E313 I470 L473V270-L309 HydrophobicContact CG1-CD1 3.79Å; V270-L309 HydrophobicContact CG1-CG 4.48Å; A274-L309 HydrophobicContact CB-CD1 4.08Å; L298-L309 HydrophobicContact CD1-CD2 4.02Å; L307-L309 HydrophobicContact CD1-CD2 3.97Å; L307-L309 HydrophobicContact CD1-CG 4.23Å; L307-L309 HydrophobicContact CG-CG 4.37Å; L309-E311 VanDerWaalsContact C-N 3.3Å; L309-E311 PolarHBondContact O-N 3.29Å; L309-F312 WeakPolarHBondContact O-CA 3.27Å; L309-F312 WeakPolarHBondContact O-CB 3.34Å; L309-F312 PolarHBondContact O-N 3.18Å; L309-E313 PolarHBondContact O-N 3.02Å; L309-I470 HydrophobicContact CD1-CG1 3.91Å; L309-L473 HydrophobicContact CB-CD1 4.42Å; L309-L473 HydrophobicContact CB-CG 4.48Å; L309-L473 HydrophobicContact CD1-CD1 4.4Å
310S78.9Confident86.3Confident51 Ų5145 Ų4536%0.35725%0.246SC..G310 helixtrans-58.5-39.1-175.165.10000112.8D308 F312 E313D308-S310 VanDerWaalsContact CG-OG 3.27Å; D308-S310 VanDerWaalsContact OD1-CB 3.26Å; D308-S310 WeakPolarHBondContact OD1-CB 3.36Å; D308-S310 PolarHBondContact OD1-N 3.17Å; D308-S310 PolarHBondContact OD1-OG 2.8Å; D308-S310 PolarHBondContact OD2-OG 2.96Å; D308-S310 VanDerWaalsContact OD2-OG 3.09Å; S310-F312 PolarHBondContact O-N 3.14Å; S310-F312 VanDerWaalsContact O-N 3.13Å; S310-E313 PolarHBondContact O-N 3.48Å
311E77.8Confident86.4Confident103 Ų10341.7 Ų41.748%0.48123%0.229SC..G310 helixtrans-69.6-4.8174.9-70.6-164.4-127.500115R297 L309R297-E311 IonicContact CZ-OE1 2.72Å; R297-E311 VanDerWaalsContact CZ-OE1 3.25Å; R297-E311 IonicContact CZ-OE2 3.19Å; R297-E311 IonicContact NH1-OE1 2.63Å; R297-E311 PolarHBondContact NH1-OE1 3.18Å; R297-E311 IonicContact NH1-OE2 3.76Å; R297-E311 PolarHBondContact NH1-OE2 3.45Å; R297-E311 IonicContact NH2-OE1 3.44Å; R297-E311 PolarHBondContact NH2-OE1 3.43Å; R297-E311 IonicContact NH2-OE2 2.72Å; L309-E311 VanDerWaalsContact C-N 3.3Å; L309-E311 PolarHBondContact O-N 3.29Å
312F78.6Confident86.5Confident5 Ų540.9 Ų40.92%0.02222%0.222CC..G310 helixtrans-113.8-1.6-176.9-57.2-91.1000113.7K294 R297 L298 D308 L309 S310 F314 D315 A318 I319K294-F312 HydrophobicContact CB-CE1 3.97Å; K294-F312 HydrophobicContact CG-CE1 4.25Å; R297-F312 HydrophobicContact CG-CZ 4.49Å; L298-F312 HydrophobicContact CB-CE1 3.79Å; L298-F312 HydrophobicContact CB-CZ 3.82Å; L298-F312 HydrophobicContact CD1-CE2 4.22Å; L298-F312 HydrophobicContact CD1-CZ 4.27Å; L298-F312 HydrophobicContact CD2-CD1 4.3Å; L298-F312 HydrophobicContact CD2-CE1 4.34Å; L298-F312 HydrophobicContact CG-CE1 4.47Å; L298-F312 HydrophobicContact CG-CZ 4.49Å; D308-F312 WeakPolarHBondContact O-CE2 3.5Å; L309-F312 WeakPolarHBondContact O-CA 3.27Å; L309-F312 WeakPolarHBondContact O-CB 3.34Å; L309-F312 PolarHBondContact O-N 3.18Å; S310-F312 PolarHBondContact O-N 3.14Å; S310-F312 VanDerWaalsContact O-N 3.13Å; F312-F314 PolarHBondContact O-N 3.35Å; F312-F314 VanDerWaalsContact O-N 3.1Å; F312-D315 PolarHBondContact O-N 2.91Å; F312-A318 HydrophobicContact CD1-CB 4.37Å; F312-I319 HydrophobicContact CB-CD1 4.11Å; F312-I319 HydrophobicContact CB-CG1 4.15Å
313E72.2Confident86.7Confident72 Ų7240.7 Ų40.734%0.33622%0.222SC..THydrogen-bonded Turntrans-46-39.4175.1-172.4-172.616500112.8I278 L309 S310 L473I278-E313 WeakPolarHBondContact CD1-O 3.38Å; L309-E313 PolarHBondContact O-N 3.02Å; S310-E313 PolarHBondContact O-N 3.48Å; E313-L473 HydrophobicContact CB-CD2 3.99Å; E313-L473 HydrophobicContact CG-CD2 4.21Å
314F74.2Confident86.9Confident170 Ų17040.8 Ų40.875%0.74622%0.22SC*.THydrogen-bonded Turntrans-101.419-179-54-77.3000114.1F312F312-F314 PolarHBondContact O-N 3.35Å; F312-F314 VanDerWaalsContact O-N 3.1Å
315D87.9Confident87.1Confident23 Ų2340 Ų4012%0.12321%0.208CC..  trans-143.164.2-177.4-152.9-37.4000114K294 F312 H317 A318 I319K294-D315 HydrophobicContact CD-CB 4.19Å; K294-D315 WeakPolarHBondContact CD-OD2 3.37Å; K294-D315 WeakPolarHBondContact CE-OD2 3.44Å; K294-D315 VanDerWaalsContact NZ-CB 3.33Å; K294-D315 IonicContact NZ-OD2 3.54Å; K294-D315 PolarHBondContact NZ-OD2 3.39Å; F312-D315 PolarHBondContact O-N 2.91Å; D315-H317 PolarHBondContact O-N 3.17Å; D315-A318 HydrophobicContact CB-CB 4.13Å; D315-A318 PolarHBondContact O-N 2.8Å; D315-A318 VanDerWaalsContact OD1-CB 3.27Å; D315-A318 WeakPolarHBondContact OD1-CB 3.34Å; D315-A318 PolarHBondContact OD1-N 3.1Å; D315-I319 PolarHBondContact O-N 3.37Å
316P93.1Very high87.6Confident16 Ų1638.5 Ų38.510%0.10419%0.192CC..Hα-helixtrans-61-24.9176.325.7-34.5000112.4L275 I278 A282 L285 A318 I319 A320L275-P316 HydrophobicContact CD2-CB 3.72Å; L275-P316 WeakPolarHBondContact CD2-O 3.35Å; I278-P316 HydrophobicContact CD1-CB 4.41Å; A282-P316 HydrophobicContact CB-CB 4.44Å; A282-P316 HydrophobicContact CB-CG 3.78Å; L285-P316 HydrophobicContact CD1-CB 4.21Å; P316-A318 PolarHBondContact O-N 3.24Å; P316-I319 PolarHBondContact O-N 2.99Å; P316-A320 VanDerWaalsContact O-CB 3.23Å; P316-A320 WeakPolarHBondContact O-CB 3.33Å; P316-A320 PolarHBondContact O-N 3.31Å
317H94.2Very high88.1Confident40 Ų4033 Ų3319%0.18517%0.167CC..Hα-helixtrans-67.4-33.2174.6-59.5-65.9000112.6E283 G290 D315 G321E283-H317 PolarHBondContact O-CE1 3.31Å; E283-H317 VanDerWaalsContact O-CE1 3.32Å; G290-H317 VanDerWaalsContact CA-C 3.46Å; G290-H317 VanDerWaalsContact CA-CB 3.46Å; G290-H317 WeakPolarHBondContact CA-O 3.38Å; G290-H317 PolarHBondContact N-O 3.19Å; D315-H317 PolarHBondContact O-N 3.17Å; H317-G321 PolarHBondContact O-N 3.36Å
318A93.7Very high88.6Confident0 Ų036.3 Ų36.30%018%0.176CC..Hα-helixtrans-69.4-41.717300000112K294 V295 F312 D315 P316 G321 A322K294-A318 HydrophobicContact CB-CB 3.84Å; K294-A318 HydrophobicContact CD-CB 4.41Å; V295-A318 HydrophobicContact CG2-CB 4.24Å; F312-A318 HydrophobicContact CD1-CB 4.37Å; D315-A318 HydrophobicContact CB-CB 4.13Å; D315-A318 PolarHBondContact O-N 2.8Å; D315-A318 VanDerWaalsContact OD1-CB 3.27Å; D315-A318 WeakPolarHBondContact OD1-CB 3.34Å; D315-A318 PolarHBondContact OD1-N 3.1Å; P316-A318 PolarHBondContact O-N 3.24Å; A318-G321 PolarHBondContact O-N 2.94Å; A318-A322 PolarHBondContact O-N 3.31Å
319I94.3Very high89.2Confident1 Ų134.4 Ų34.41%0.00516%0.164CC..Hα-helixtrans-64.2-46.4176.1-55.2178.8000110.2C271 A274 L275 I278 L298 F312 D315 P316 G321 A322 L323C271-I319 HydrophobicContact CB-CG2 3.72Å; A274-I319 HydrophobicContact CB-CD1 4.08Å; L275-I319 HydrophobicContact CD1-CG2 4.18Å; L275-I319 HydrophobicContact CD2-CB 3.94Å; L275-I319 HydrophobicContact CD2-CG2 4.09Å; L275-I319 HydrophobicContact CG-CB 4.22Å; L275-I319 HydrophobicContact CG-CG2 3.79Å; I278-I319 HydrophobicContact CD1-CD1 3.97Å; L298-I319 HydrophobicContact CD2-CB 4.42Å; L298-I319 HydrophobicContact CD2-CG1 4.1Å; F312-I319 HydrophobicContact CB-CD1 4.11Å; F312-I319 HydrophobicContact CB-CG1 4.15Å; D315-I319 PolarHBondContact O-N 3.37Å; P316-I319 PolarHBondContact O-N 2.99Å; I319-G321 PolarHBondContact O-N 3.47Å; I319-A322 PolarHBondContact O-N 2.79Å; I319-L323 PolarHBondContact O-N 2.9Å
320A95.3Very high89.8Confident1 Ų134.5 Ų34.51%0.00817%0.165CC..Hα-helixtrans-61.5-30.9173.400000113.2L275 L285 F286 P316 K324L275-A320 HydrophobicContact CD1-CB 4.03Å; L285-A320 HydrophobicContact CD1-CB 3.99Å; F286-A320 HydrophobicContact CD1-CB 3.6Å; F286-A320 HydrophobicContact CE1-CB 3.55Å; F286-A320 HydrophobicContact CG-CB 4.21Å; F286-A320 HydrophobicContact CZ-CB 4.1Å; P316-A320 VanDerWaalsContact O-CB 3.23Å; P316-A320 WeakPolarHBondContact O-CB 3.33Å; P316-A320 PolarHBondContact O-N 3.31Å; A320-K324 WeakPolarHBondContact O-CE 3.38Å; A320-K324 WeakPolarHBondContact O-CG 3.31Å; A320-K324 PolarHBondContact O-N 3.35Å
321G95Very high90.4Very high13 Ų1336 Ų3613%0.13417%0.174CC..Hα-helixtrans-68.2-45172.900000112.9H317 A318 I319 Q325H317-G321 PolarHBondContact O-N 3.36Å; A318-G321 PolarHBondContact O-N 2.94Å; I319-G321 PolarHBondContact O-N 3.47Å; G321-Q325 WeakPolarHBondContact O-CB 3.37Å; G321-Q325 PolarHBondContact O-N 3.27Å
322A94.8Very high91.1Very high0 Ų034.4 Ų34.40%017%0.166CC..Hα-helixtrans-64.1-46.5177.700000111.6Y249 L298 A318 I319 K324 Q325 Y326Y249-A322 PolarHBondContact OH-O 3.06Å; L298-A322 HydrophobicContact CB-CB 4.4Å; L298-A322 HydrophobicContact CD2-CB 3.74Å; L298-A322 HydrophobicContact CG-CB 4.05Å; A318-A322 PolarHBondContact O-N 3.31Å; I319-A322 PolarHBondContact O-N 2.79Å; A322-K324 PolarHBondContact O-N 3.43Å; A322-Q325 CarbonylContact O-C 3.59Å; A322-Q325 WeakPolarHBondContact O-CA 3.43Å; A322-Q325 WeakPolarHBondContact O-CB 3.44Å; A322-Q325 PolarHBondContact O-N 2.69Å; A322-Y326 PolarHBondContact O-N 3.07Å
323L95.8Very high91.8Very high0 Ų034.2 Ų34.20%017%0.165CC..Hα-helixtrans-58.2-46.2178.1-179.854.6000112.9L268 C271 L275 F286 I319 Q325 Y326 L327L268-L323 HydrophobicContact CD2-CD1 3.79Å; L268-L323 HydrophobicContact CG-CD1 4.19Å; C271-L323 HydrophobicContact CB-CB 3.85Å; C271-L323 HydrophobicContact CB-CD1 4.19Å; C271-L323 HydrophobicContact CB-CD2 3.99Å; C271-L323 HydrophobicContact CB-CG 4.22Å; L275-L323 HydrophobicContact CD1-CD2 4.45Å; F286-L323 HydrophobicContact CE1-CD2 4.06Å; F286-L323 HydrophobicContact CZ-CD2 4.06Å; I319-L323 PolarHBondContact O-N 2.9Å; L323-Q325 VanDerWaalsContact C-N 3.3Å; L323-Q325 PolarHBondContact O-N 3.33Å; L323-Y326 PolarHBondContact O-N 2.58Å; L323-L327 PolarHBondContact O-N 3.03Å
324K94.9Very high92.9Very high35 Ų3530.9 Ų30.915%0.15215%0.15CC..Hα-helixtrans-62.9-35.8172.9-73.1-176.5-61.8172.20112.6F286 A320 A322 R328 I401 F402F286-K324 HydrophobicContact CB-CD 4.29Å; F286-K324 HydrophobicContact CD1-CD 3.94Å; F286-K324 HydrophobicContact CD1-CG 3.85Å; F286-K324 HydrophobicContact CE1-CG 4.43Å; F286-K324 PolarHBondContact O-NZ 2.93Å; A320-K324 WeakPolarHBondContact O-CE 3.38Å; A320-K324 WeakPolarHBondContact O-CG 3.31Å; A320-K324 PolarHBondContact O-N 3.35Å; A322-K324 PolarHBondContact O-N 3.43Å; K324-R328 VanDerWaalsContact O-CB 3.32Å; K324-R328 WeakPolarHBondContact O-CB 3.26Å; K324-R328 PolarHBondContact O-N 2.97Å; K324-I401 HydrophobicContact CD-CG2 3.66Å; K324-F402 HydrophobicContact CG-CE1 4.24Å; K324-F402 HydrophobicContact CG-CZ 4.12Å
325Q94Very high93.9Very high33 Ų3322.9 Ų22.915%0.15412%0.115CC..Hα-helixtrans-69.7-33.3178.1-178.8163-8.300112.1Y249 G321 A322 L323 E329Y249-Q325 HydrophobicContact CD1-CG 4.29Å; Y249-Q325 HydrophobicContact CE1-CB 4.24Å; Y249-Q325 HydrophobicContact CE1-CG 4.12Å; G321-Q325 WeakPolarHBondContact O-CB 3.37Å; G321-Q325 PolarHBondContact O-N 3.27Å; A322-Q325 CarbonylContact O-C 3.59Å; A322-Q325 WeakPolarHBondContact O-CA 3.43Å; A322-Q325 WeakPolarHBondContact O-CB 3.44Å; A322-Q325 PolarHBondContact O-N 2.69Å; L323-Q325 VanDerWaalsContact C-N 3.3Å; L323-Q325 PolarHBondContact O-N 3.33Å; Q325-E329 HydrophobicContact CG-CG 4.18Å; Q325-E329 PolarHBondContact NE2-OE1 3.38Å; Q325-E329 PolarHBondContact NE2-OE2 3.35Å; Q325-E329 VanDerWaalsContact O-CB 3.28Å; Q325-E329 WeakPolarHBondContact O-CB 3.41Å; Q325-E329 VanDerWaalsContact O-CG 3.32Å; Q325-E329 WeakPolarHBondContact O-CG 3.45Å; Q325-E329 PolarHBondContact O-N 2.9Å; Q325-E329 VanDerWaalsContact O-N 3.08Å
326Y96.1Very high94.1Very high1 Ų121.9 Ų21.90%0.00411%0.11CC..Hα-helixtrans-61.6-56.7174.5174-111.9000111.2V248 Y249 H256 A265 V267 L268 A322 L323 R328 E329 L330V248-Y326 WeakPolarHBondContact O-CE2 3.38Å; Y249-Y326 HydrophobicContact CD1-CD2 4.38Å; Y249-Y326 HydrophobicContact CG-CD2 4.38Å; H256-Y326 AromaticContact ND1-CZ 3.69Å; H256-Y326 PolarHBondContact ND1-OH 2.88Å; A265-Y326 HydrophobicContact CB-CE1 3.85Å; V267-Y326 HydrophobicContact CB-CD1 4.02Å; V267-Y326 HydrophobicContact CB-CD2 4.19Å; V267-Y326 HydrophobicContact CB-CG 3.85Å; V267-Y326 HydrophobicContact CG1-CD1 4.39Å; V267-Y326 HydrophobicContact CG1-CG 4.01Å; V267-Y326 HydrophobicContact CG2-CD2 3.98Å; V267-Y326 HydrophobicContact CG2-CE2 4.41Å; V267-Y326 HydrophobicContact CG2-CG 4.16Å; L268-Y326 HydrophobicContact CD1-CE1 4.36Å; L268-Y326 HydrophobicContact CG-CE1 4.43Å; A322-Y326 PolarHBondContact O-N 3.07Å; L323-Y326 PolarHBondContact O-N 2.58Å; Y326-R328 VanDerWaalsContact C-N 3.31Å; Y326-R328 PolarHBondContact O-N 2.91Å; Y326-E329 CarbonylContact O-C 3.42Å; Y326-E329 PolarHBondContact O-N 3.37Å; Y326-L330 HydrophobicContact CE1-CD2 4.3Å; Y326-L330 HydrophobicContact CE2-CD2 4Å; Y326-L330 PolarHBondContact O-N 2.82Å
327L95.5Very high93.9Very high0 Ų022.8 Ų22.80%011%0.113CC..Hα-helixtrans-56.5-43.1-178.6-65.9165.3000112.7L268 L323 E329 L330 L334 L377 F402 L406L268-L327 HydrophobicContact CD1-CD2 4.42Å; L268-L327 HydrophobicContact CD2-CD2 4.48Å; L323-L327 PolarHBondContact O-N 3.03Å; L327-E329 VanDerWaalsContact C-N 3.31Å; L327-E329 PolarHBondContact O-N 2.63Å; L327-L330 HydrophobicContact CD2-CD1 4.46Å; L327-L330 WeakPolarHBondContact O-CB 3.44Å; L327-L330 PolarHBondContact O-N 2.78Å; L327-L334 HydrophobicContact CD2-CB 4.43Å; L327-L334 HydrophobicContact CD2-CD2 3.83Å; L327-L377 HydrophobicContact CD1-CD2 3.72Å; L327-L377 HydrophobicContact CD2-CD2 4.18Å; L327-F402 HydrophobicContact CD1-CD1 4.09Å; L327-F402 HydrophobicContact CD1-CE1 3.72Å; L327-L406 HydrophobicContact CD1-CD2 4.16Å; L327-L406 HydrophobicContact CD2-CD2 4.17Å
328R93.1Very high93.8Very high117 Ų11726.8 Ų26.844%0.44214%0.136SC..Hα-helixtrans-76.7-12.3179-167.1-169.560.9-152.4-12.9114.1K324 Y326K324-R328 VanDerWaalsContact O-CB 3.32Å; K324-R328 WeakPolarHBondContact O-CB 3.26Å; K324-R328 PolarHBondContact O-N 2.97Å; Y326-R328 VanDerWaalsContact C-N 3.31Å; Y326-R328 PolarHBondContact O-N 2.91Å
329E93.1Very high93.7Very high34 Ų3428.6 Ų28.616%0.15914%0.144CC..THydrogen-bonded Turntrans-105.48.7174.4-68.1-176.2168.100112.2G250 K299 Q325 Y326 L327 K425G250-E329 VanDerWaalsContact CA-O 3.22Å; G250-E329 WeakPolarHBondContact CA-O 3.44Å; G250-E329 PolarHBondContact N-O 2.66Å; K299-E329 IonicContact NZ-OE2 2.9Å; K299-E329 PolarHBondContact NZ-OE2 3.34Å; Q325-E329 HydrophobicContact CG-CG 4.18Å; Q325-E329 PolarHBondContact NE2-OE1 3.38Å; Q325-E329 PolarHBondContact NE2-OE2 3.35Å; Q325-E329 VanDerWaalsContact O-CB 3.28Å; Q325-E329 WeakPolarHBondContact O-CB 3.41Å; Q325-E329 VanDerWaalsContact O-CG 3.32Å; Q325-E329 WeakPolarHBondContact O-CG 3.45Å; Q325-E329 PolarHBondContact O-N 2.9Å; Q325-E329 VanDerWaalsContact O-N 3.08Å; Y326-E329 CarbonylContact O-C 3.42Å; Y326-E329 PolarHBondContact O-N 3.37Å; L327-E329 VanDerWaalsContact C-N 3.31Å; L327-E329 PolarHBondContact O-N 2.63Å; E329-K425 IonicContact OE1-NZ 2.64Å; E329-K425 PolarHBondContact OE1-NZ 3.4Å
330L93.6Very high93.6Very high10 Ų1029.9 Ų29.95%0.05215%0.149CC..SBendtrans-66.6139.5164.6-67.7177000110.6Y326 L327 E332 L334Y326-L330 HydrophobicContact CE1-CD2 4.3Å; Y326-L330 HydrophobicContact CE2-CD2 4Å; Y326-L330 PolarHBondContact O-N 2.82Å; L327-L330 HydrophobicContact CD2-CD1 4.46Å; L327-L330 WeakPolarHBondContact O-CB 3.44Å; L327-L330 PolarHBondContact O-N 2.78Å; L330-E332 VanDerWaalsContact C-N 3.28Å; L330-E332 VanDerWaalsContact CB-O 3.23Å; L330-E332 WeakPolarHBondContact CB-O 3.37Å; L330-E332 PolarHBondContact O-N 3.04Å; L330-L334 HydrophobicContact CD1-CB 4.43Å
331P92.2Very high93.4Very high83 Ų8335.8 Ų35.854%0.53918%0.181SC..SBendtrans-63.5-29.2175-25.435.1000114.7G250 Q251G250-P331 WeakPolarHBondContact O-CG 3.46Å; Q251-P331 VanDerWaalsContact O-CD 3.25Å; Q251-P331 WeakPolarHBondContact O-CD 3.44Å
332E91.9Very high93.4Very high69 Ų6938.2 Ų38.232%0.32219%0.189SC..SBendtrans-124.1141.5175.6-172.6-178169.500108L330 C336 N338L330-E332 VanDerWaalsContact C-N 3.28Å; L330-E332 VanDerWaalsContact CB-O 3.23Å; L330-E332 WeakPolarHBondContact CB-O 3.37Å; L330-E332 PolarHBondContact O-N 3.04Å; E332-C336 VanDerWaalsContact OE1-CA 3.3Å; E332-C336 WeakPolarHBondContact OE1-CA 3.32Å; E332-C336 VanDerWaalsContact OE1-CB 3.24Å; E332-C336 WeakPolarHBondContact OE1-CB 3.44Å; E332-C336 PolarHBondContact OE1-SG 3.08Å; E332-N338 PolarHBondContact OE1-ND2 3.08Å
333P93.7Very high93.3Very high0 Ų038.2 Ų38.20%019%0.189CC..  trans-61.9150.9177.219.6-26.3000111.5L335 C336 N337 L406 W408P333-L335 PolarHBondContact O-N 3.26Å; P333-C336 WeakPolarHBondContact O-CA 3.48Å; P333-C336 PolarHBondContact O-N 3.15Å; P333-N337 HydrophobicContact CG-CB 3.7Å; P333-L406 WeakPolarHBondContact CB-O 3.48Å; P333-W408 HydrophobicContact CB-CD2 3.84Å; P333-W408 HydrophobicContact CB-CE3 3.71Å; P333-W408 HydrophobicContact CB-CH2 3.9Å; P333-W408 HydrophobicContact CB-CZ2 4.04Å; P333-W408 HydrophobicContact CB-CZ3 3.74Å; P333-W408 VanDerWaalsContact CD-CE2 3.5Å; P333-W408 HydrophobicContact CG-CD2 3.97Å; P333-W408 HydrophobicContact CG-CE3 4.36Å; P333-W408 HydrophobicContact CG-CG 4.31Å; P333-W408 HydrophobicContact CG-CZ2 4.25Å
334L94.6Very high93.2Very high2 Ų239.5 Ų39.51%0.0120%0.195CC..THydrogen-bonded Turntrans-59.4-32-177.8-177.761000112.8L253 L327 L330 C336 N370 N373 I374 L377 L406L253-L334 HydrophobicContact CD2-CD1 3.73Å; L327-L334 HydrophobicContact CD2-CB 4.43Å; L327-L334 HydrophobicContact CD2-CD2 3.83Å; L330-L334 HydrophobicContact CD1-CB 4.43Å; L334-C336 VanDerWaalsContact C-N 3.27Å; L334-C336 PolarHBondContact O-N 3.09Å; L334-N370 PolarHBondContact O-ND2 3.32Å; L334-N373 HydrophobicContact CD1-CB 3.89Å; L334-I374 HydrophobicContact CD1-CG1 4.33Å; L334-I374 HydrophobicContact CD2-CG1 4.21Å; L334-I374 HydrophobicContact CG-CG1 3.79Å; L334-L377 HydrophobicContact CD2-CD2 3.93Å; L334-L406 HydrophobicContact CB-CD2 4.02Å; L334-L406 HydrophobicContact CD2-CD2 4Å
335L94.6Very high93.1Very high3 Ų343.5 Ų43.52%0.01621%0.214CC..THydrogen-bonded Turntrans-81.85.7174.6-67.5169.2000114.6P333 W343 I374 L406 L407 L447 I448 L451P333-L335 PolarHBondContact O-N 3.26Å; L335-W343 HydrophobicContact CB-CZ2 4.29Å; L335-W343 HydrophobicContact CD2-CH2 4.34Å; L335-W343 HydrophobicContact CD2-CZ2 3.91Å; L335-W343 PolarHBondContact O-NE1 3.4Å; L335-I374 HydrophobicContact CD2-CD1 3.8Å; L335-I374 HydrophobicContact CD2-CG1 4.01Å; L335-I374 HydrophobicContact CD2-CG2 4.09Å; L335-L406 WeakPolarHBondContact CB-O 3.27Å; L335-L406 HydrophobicContact CD1-CB 4.13Å; L335-L406 PolarHBondContact N-O 3.37Å; L335-L406 VanDerWaalsContact N-O 3.14Å; L335-L407 HydrophobicContact CB-CB 4.36Å; L335-L407 HydrophobicContact CB-CD1 4.21Å; L335-L407 HydrophobicContact CD1-CB 4.08Å; L335-L447 HydrophobicContact CD1-CD2 4.27Å; L335-I448 HydrophobicContact CD1-CD1 3.54Å; L335-L451 HydrophobicContact CD2-CD1 4.34Å
336C92.4Very high93.1Very high2 Ų242 Ų421%0.01421%0.207CC..  trans61.1120.2-176.2-72.80000114.5E332 P333 L334 N338 F339 N370E332-C336 VanDerWaalsContact OE1-CA 3.3Å; E332-C336 WeakPolarHBondContact OE1-CA 3.32Å; E332-C336 VanDerWaalsContact OE1-CB 3.24Å; E332-C336 WeakPolarHBondContact OE1-CB 3.44Å; E332-C336 PolarHBondContact OE1-SG 3.08Å; P333-C336 WeakPolarHBondContact O-CA 3.48Å; P333-C336 PolarHBondContact O-N 3.15Å; L334-C336 VanDerWaalsContact C-N 3.27Å; L334-C336 PolarHBondContact O-N 3.09Å; C336-N338 PolarHBondContact O-N 2.87Å; C336-F339 HydrophobicContact CB-CD2 3.71Å; C336-F339 HydrophobicContact CB-CE2 4.04Å; C336-F339 PolarHBondContact O-N 3.45Å; C336-N370 PolarHBondContact SG-ND2 2.99Å; C336-N370 VanDerWaalsContact SG-ND2 3.36Å
337N89.3Confident93Very high34 Ų3442.3 Ų42.318%0.18221%0.209CC..G310 helixtrans-70.6-21.7-178.759.9-5.2000112.6P333 F339 Y340 W408P333-N337 HydrophobicContact CG-CB 3.7Å; N337-F339 PolarHBondContact O-N 3.01Å; N337-Y340 VanDerWaalsContact O-CB 3.23Å; N337-Y340 WeakPolarHBondContact O-CB 3.46Å; N337-Y340 PolarHBondContact O-N 3.26Å; N337-W408 WeakPolarHBondContact CB-O 3.46Å
338N91.3Very high92.7Very high125 Ų12544.7 Ų44.767%0.66823%0.233SC*.G310 helixtrans-60.6-22.9174.4-62.2-61.4000113.5E332 C336E332-N338 PolarHBondContact OE1-ND2 3.08Å; C336-N338 PolarHBondContact O-N 2.87Å
339F92.2Very high92.6Very high37 Ų3741.6 Ų41.616%0.16222%0.223CC..G310 helixtrans-10414176-53.8-67.6000113C336 N337 D341 E342 W343 V362 K365 V366C336-F339 HydrophobicContact CB-CD2 3.71Å; C336-F339 HydrophobicContact CB-CE2 4.04Å; C336-F339 PolarHBondContact O-N 3.45Å; N337-F339 PolarHBondContact O-N 3.01Å; F339-D341 VanDerWaalsContact C-N 3.34Å; F339-D341 PolarHBondContact O-N 3.35Å; F339-E342 HydrophobicContact CB-CB 4.41Å; F339-E342 PolarHBondContact O-N 2.9Å; F339-E342 VanDerWaalsContact O-N 3.12Å; F339-W343 PolarHBondContact O-N 3.14Å; F339-V362 HydrophobicContact CB-CG1 3.91Å; F339-V362 HydrophobicContact CG-CG1 4.27Å; F339-K365 HydrophobicContact CD1-CB 4.49Å; F339-K365 HydrophobicContact CE1-CB 3.8Å; F339-K365 HydrophobicContact CE1-CD 4.19Å; F339-K365 HydrophobicContact CZ-CB 3.92Å; F339-K365 WeakPolarHBondContact CZ-O 2.92Å; F339-V366 HydrophobicContact CD2-CG2 4.03Å; F339-V366 HydrophobicContact CE2-CG2 4.12Å
340Y91.8Very high92.4Very high28 Ų2846.9 Ų46.911%0.1125%0.248CC..Hα-helixtrans-52.3-49.2-174.6-174.8-91.8000112.6N337 W343 L344 L407 V444N337-Y340 VanDerWaalsContact O-CB 3.23Å; N337-Y340 WeakPolarHBondContact O-CB 3.46Å; N337-Y340 PolarHBondContact O-N 3.26Å; Y340-W343 WeakPolarHBondContact O-CB 3.43Å; Y340-W343 PolarHBondContact O-N 3.14Å; Y340-L344 HydrophobicContact CD1-CD1 4.11Å; Y340-L344 HydrophobicContact CD1-CG 4.48Å; Y340-L344 HydrophobicContact CE1-CD1 3.48Å; Y340-L344 VanDerWaalsContact CE1-CD1 3.48Å; Y340-L344 HydrophobicContact CE1-CG 4.18Å; Y340-L344 WeakPolarHBondContact O-CG 3.21Å; Y340-L344 PolarHBondContact O-N 2.67Å; Y340-L407 HydrophobicContact CD2-CD1 3.76Å; Y340-L407 HydrophobicContact CD2-CD2 4.11Å; Y340-L407 HydrophobicContact CD2-CG 3.67Å; Y340-L407 HydrophobicContact CE2-CD2 4.38Å; Y340-L407 HydrophobicContact CE2-CG 3.99Å; Y340-V444 HydrophobicContact CE2-CG2 4.4Å
341D91.8Very high92.3Very high126 Ų12650.7 Ų50.767%0.67427%0.273SS*.Hα-helixtrans-71.4-34.9-179.7-58.5-47000112.3F339 W343 L344 E345F339-D341 VanDerWaalsContact C-N 3.34Å; F339-D341 PolarHBondContact O-N 3.35Å; D341-W343 VanDerWaalsContact C-N 3.34Å; D341-W343 PolarHBondContact O-N 2.84Å; D341-L344 PolarHBondContact O-N 3.02Å; D341-E345 PolarHBondContact O-N 3.18Å
342E93.8Very high92.3Very high64 Ų6451.2 Ų51.230%0.29927%0.271SS..Hα-helixtrans-63.2-39.6173.6-67.9-156.1-147.400112.1F339 E345 A346 V362 K365F339-E342 HydrophobicContact CB-CB 4.41Å; F339-E342 PolarHBondContact O-N 2.9Å; F339-E342 VanDerWaalsContact O-N 3.12Å; E342-E345 PolarHBondContact O-N 3.3Å; E342-A346 WeakPolarHBondContact O-CB 3.48Å; E342-A346 PolarHBondContact O-N 3.38Å; E342-V362 HydrophobicContact CB-CG1 4.21Å; E342-V362 HydrophobicContact CB-CG2 3.94Å; E342-K365 IonicContact OE1-NZ 3.79Å; E342-K365 PolarHBondContact OE1-NZ 3.32Å; E342-K365 IonicContact OE2-NZ 2.68Å; E342-K365 PolarHBondContact OE2-NZ 3.27Å
343W94.7Very high92.3Very high0 Ų052.7 Ų52.70%028%0.278CS..Hα-helixtrans-62.1-42.2174.1-75.6128.4000112L335 F339 Y340 D341 I347 I359 V362 L363 V366 L407 L447L335-W343 HydrophobicContact CB-CZ2 4.29Å; L335-W343 HydrophobicContact CD2-CH2 4.34Å; L335-W343 HydrophobicContact CD2-CZ2 3.91Å; L335-W343 PolarHBondContact O-NE1 3.4Å; F339-W343 PolarHBondContact O-N 3.14Å; Y340-W343 WeakPolarHBondContact O-CB 3.43Å; Y340-W343 PolarHBondContact O-N 3.14Å; D341-W343 VanDerWaalsContact C-N 3.34Å; D341-W343 PolarHBondContact O-N 2.84Å; W343-I347 WeakPolarHBondContact O-CG2 3.33Å; W343-I347 PolarHBondContact O-N 2.97Å; W343-I359 HydrophobicContact CZ3-CG2 4.03Å; W343-V362 HydrophobicContact CD2-CB 4.35Å; W343-V362 HydrophobicContact CD2-CG1 3.67Å; W343-V362 HydrophobicContact CE3-CB 3.87Å; W343-V362 HydrophobicContact CE3-CG1 3.71Å; W343-V362 HydrophobicContact CE3-CG2 4.48Å; W343-V362 HydrophobicContact CG-CG1 4.38Å; W343-V362 HydrophobicContact CH2-CB 3.91Å; W343-V362 HydrophobicContact CH2-CG1 3.69Å; W343-V362 HydrophobicContact CZ2-CB 4.4Å; W343-V362 HydrophobicContact CZ2-CG1 3.67Å; W343-V362 HydrophobicContact CZ3-CB 3.62Å; W343-V362 HydrophobicContact CZ3-CG1 3.72Å; W343-L363 HydrophobicContact CH2-CD2 3.81Å; W343-L363 HydrophobicContact CH2-CG 3.85Å; W343-L363 HydrophobicContact CZ3-CG 4.32Å; W343-V366 HydrophobicContact CH2-CG2 4.37Å; W343-V366 HydrophobicContact CZ2-CG2 3.8Å; W343-L407 HydrophobicContact CB-CD2 3.86Å; W343-L407 HydrophobicContact CG-CD2 3.93Å; W343-L447 HydrophobicContact CB-CD2 3.83Å; W343-L447 HydrophobicContact CD2-CD2 3.94Å; W343-L447 HydrophobicContact CE3-CD1 4.02Å; W343-L447 HydrophobicContact CE3-CD2 3.96Å; W343-L447 HydrophobicContact CG-CD2 3.91Å
344L92.1Very high92.4Very high27 Ų2756.9 Ų56.914%0.14130%0.298CS..Hα-helixtrans-70.4-37.8177.7-63.7-167.6000112.2Y340 D341 I347 G348 Q443 V444Y340-L344 HydrophobicContact CD1-CD1 4.11Å; Y340-L344 HydrophobicContact CD1-CG 4.48Å; Y340-L344 HydrophobicContact CE1-CD1 3.48Å; Y340-L344 VanDerWaalsContact CE1-CD1 3.48Å; Y340-L344 HydrophobicContact CE1-CG 4.18Å; Y340-L344 WeakPolarHBondContact O-CG 3.21Å; Y340-L344 PolarHBondContact O-N 2.67Å; D341-L344 PolarHBondContact O-N 3.02Å; L344-I347 WeakPolarHBondContact O-CG2 3.15Å; L344-G348 PolarHBondContact O-N 2.96Å; L344-Q443 HydrophobicContact CD2-CB 3.71Å; L344-V444 HydrophobicContact CD2-CG2 4.23Å
345E92.8Very high92.4Very high118 Ų11859.3 Ų59.355%0.55131%0.306SS*.Hα-helixtrans-66.2-41.9173.4-158.5-159.2146.500111.4D341 E342 G348 K349D341-E345 PolarHBondContact O-N 3.18Å; E342-E345 PolarHBondContact O-N 3.3Å; E345-G348 PolarHBondContact O-N 2.87Å; E345-K349 PolarHBondContact O-N 2.74Å; E345-K349 WeakPolarHBondContact OE1-CE 3.28Å; E345-K349 IonicContact OE1-NZ 3.68Å; E345-K349 PolarHBondContact OE1-NZ 2.83Å
346A93.8Very high92.4Very high1 Ų159.6 Ų59.61%0.00831%0.308CS..Hα-helixtrans-66.1-42.8-179.200000112.9E342 G348 K349 I359 V362E342-A346 WeakPolarHBondContact O-CB 3.48Å; E342-A346 PolarHBondContact O-N 3.38Å; A346-G348 VanDerWaalsContact C-N 3.26Å; A346-G348 PolarHBondContact O-N 3.34Å; A346-K349 PolarHBondContact O-N 2.96Å; A346-I359 HydrophobicContact CB-CG1 3.97Å; A346-V362 HydrophobicContact CB-CG2 4.19Å
347I93.8Very high92.6Very high9 Ų962.3 Ų62.35%0.04632%0.323CS..Hα-helixtrans-70.8-24.1176.1-161.963.9000112.1W343 L344 R355 I359 Q443 L446 L447 C450W343-I347 WeakPolarHBondContact O-CG2 3.33Å; W343-I347 PolarHBondContact O-N 2.97Å; L344-I347 WeakPolarHBondContact O-CG2 3.15Å; I347-R355 HydrophobicContact CD1-CG 4.24Å; I347-R355 PolarHBondContact O-NE 3.21Å; I347-I359 HydrophobicContact CD1-CD1 3.79Å; I347-Q443 HydrophobicContact CG2-CB 4.11Å; I347-L446 HydrophobicContact CD1-CB 4.43Å; I347-L446 HydrophobicContact CG1-CB 4.03Å; I347-L447 HydrophobicContact CD1-CB 4.34Å; I347-L447 HydrophobicContact CD1-CD1 4.45Å; I347-L447 HydrophobicContact CG1-CB 4.27Å; I347-C450 HydrophobicContact CD1-CB 3.92Å
348G90.2Very high92.9Very high49 Ų4961.4 Ų61.451%0.50532%0.319SS..THydrogen-bonded Turntrans-76.6-11.2176.600000115.8L344 E345 A346L344-G348 PolarHBondContact O-N 2.96Å; E345-G348 PolarHBondContact O-N 2.87Å; A346-G348 VanDerWaalsContact C-N 3.26Å; A346-G348 PolarHBondContact O-N 3.34Å
349K91.3Very high93.2Very high53 Ų5355.5 Ų55.523%0.2329%0.287CS..  trans-68.5151.1178.9-56.1-59.7177.4179.40112.4E345 A346 E354 R355E345-K349 PolarHBondContact O-N 2.74Å; E345-K349 WeakPolarHBondContact OE1-CE 3.28Å; E345-K349 IonicContact OE1-NZ 3.68Å; E345-K349 PolarHBondContact OE1-NZ 2.83Å; A346-K349 PolarHBondContact O-N 2.96Å; K349-E354 HydrophobicContact CB-CB 4.49Å; K349-E354 HydrophobicContact CB-CG 4.25Å; K349-R355 HydrophobicContact CB-CB 4.33Å; K349-R355 PolarHBondContact O-NE 3.14Å; K349-R355 PolarHBondContact O-NH2 2.96Å
350E88.5Confident93.3Very high145 Ų14557.4 Ų57.468%0.67830%0.295SS*.SBendtrans-141.3144.5168.5-68-165.1162.900109.4R355E350-R355 IonicContact OE1-CZ 3.31Å; E350-R355 IonicContact OE1-NH2 2.89Å; E350-R355 PolarHBondContact OE1-NH2 2.94Å
351P92.2Very high93.5Very high89 Ų8963.2 Ų63.258%0.57832%0.317SS*.SBendcis-74.8176.45.532.7-37.7000113.7Q353 E354 R355P351-Q353 PolarHBondContact O-N 3.49Å; P351-Q353 VanDerWaalsContact O-N 3.11Å; P351-E354 PolarHBondContact O-N 3.3Å; P351-R355 PolarHBondContact O-N 2.94Å
352L91Very high93.7Very high95 Ų9557.4 Ų57.450%0.49729%0.286SS..Hα-helixtrans-51.1-37.1-178.3178.260.8000113.5E354 R355 L356L352-E354 VanDerWaalsContact C-N 3.32Å; L352-E354 PolarHBondContact O-N 3.2Å; L352-R355 WeakPolarHBondContact O-CB 3.34Å; L352-R355 PolarHBondContact O-N 3.12Å; L352-L356 HydrophobicContact CD1-CD1 4.48Å; L352-L356 HydrophobicContact CD1-CG 4.16Å; L352-L356 HydrophobicContact CG-CD1 4.26Å; L352-L356 HydrophobicContact CG-CG 4.37Å; L352-L356 WeakPolarHBondContact O-CG 3.23Å; L352-L356 PolarHBondContact O-N 3.48Å
353Q93.1Very high93.8Very high99 Ų9954.5 Ų54.546%0.46327%0.273SS..Hα-helixtrans-66.3-34.3178.6-168.658.457.500112.5P351 N357P351-Q353 PolarHBondContact O-N 3.49Å; P351-Q353 VanDerWaalsContact O-N 3.11Å; Q353-N357 PolarHBondContact NE2-OD1 2.92Å; Q353-N357 WeakPolarHBondContact O-CB 3.14Å; Q353-N357 PolarHBondContact O-N 3.37Å; Q353-N357 PolarHBondContact O-ND2 3.33Å; Q353-N357 PolarHBondContact O-OD1 2.93Å
354E94.5Very high93.8Very high89 Ų8960.9 Ų60.942%0.41630%0.302SS..Hα-helixtrans-71.2-38.9175.1-169.5172.5147.900111.3K349 P351 L352 N357 S358K349-E354 HydrophobicContact CB-CB 4.49Å; K349-E354 HydrophobicContact CB-CG 4.25Å; P351-E354 PolarHBondContact O-N 3.3Å; L352-E354 VanDerWaalsContact C-N 3.32Å; L352-E354 PolarHBondContact O-N 3.2Å; E354-N357 PolarHBondContact O-N 3.11Å; E354-S358 WeakPolarHBondContact O-CB 3.47Å; E354-S358 PolarHBondContact O-N 2.97Å
355R95Very high93.9Very high52 Ų5264.8 Ų64.820%0.19632%0.318CS..Hα-helixtrans-55.5-51.7171-172.8179.6-67.3-177.9-1.4111.8I347 K349 E350 P351 L352 S358 I359I347-R355 HydrophobicContact CD1-CG 4.24Å; I347-R355 PolarHBondContact O-NE 3.21Å; K349-R355 HydrophobicContact CB-CB 4.33Å; K349-R355 PolarHBondContact O-NE 3.14Å; K349-R355 PolarHBondContact O-NH2 2.96Å; E350-R355 IonicContact OE1-CZ 3.31Å; E350-R355 IonicContact OE1-NH2 2.89Å; E350-R355 PolarHBondContact OE1-NH2 2.94Å; P351-R355 PolarHBondContact O-N 2.94Å; L352-R355 WeakPolarHBondContact O-CB 3.34Å; L352-R355 PolarHBondContact O-N 3.12Å; R355-S358 PolarHBondContact O-N 3.31Å; R355-I359 HydrophobicContact CG-CD1 4Å; R355-I359 VanDerWaalsContact O-CG1 3.27Å; R355-I359 WeakPolarHBondContact O-CG1 3.21Å; R355-I359 PolarHBondContact O-N 3.22Å
356L95.8Very high94Very high9 Ų959.7 Ų59.75%0.04730%0.295CS..Hα-helixtrans-61.6-45.4176.6-67.5178.2000112L352 S358 I359 K360 N454 Y457 F458L352-L356 HydrophobicContact CD1-CD1 4.48Å; L352-L356 HydrophobicContact CD1-CG 4.16Å; L352-L356 HydrophobicContact CG-CD1 4.26Å; L352-L356 HydrophobicContact CG-CG 4.37Å; L352-L356 WeakPolarHBondContact O-CG 3.23Å; L352-L356 PolarHBondContact O-N 3.48Å; L356-S358 VanDerWaalsContact C-N 3.3Å; L356-S358 PolarHBondContact O-N 2.85Å; L356-I359 PolarHBondContact O-N 3.32Å; L356-K360 WeakPolarHBondContact O-CB 3.42Å; L356-K360 PolarHBondContact O-N 2.88Å; L356-N454 HydrophobicContact CD2-CB 3.83Å; L356-Y457 HydrophobicContact CB-CD1 4.2Å; L356-Y457 HydrophobicContact CB-CE1 3.73Å; L356-Y457 HydrophobicContact CD1-CD1 4.48Å; L356-Y457 HydrophobicContact CD2-CD1 4.47Å; L356-F458 HydrophobicContact CD2-CE1 4.39Å; L356-F458 HydrophobicContact CD2-CE2 3.93Å; L356-F458 HydrophobicContact CD2-CZ 3.51Å; L356-F458 WeakPolarHBondContact O-CE1 3.3Å
357N95.9Very high94Very high60 Ų6062.5 Ų62.532%0.32131%0.314SS..Hα-helixtrans-60.5-39.1175.7-67.5-9.8000111.7Q353 E354 R361 Y457Q353-N357 PolarHBondContact NE2-OD1 2.92Å; Q353-N357 WeakPolarHBondContact O-CB 3.14Å; Q353-N357 PolarHBondContact O-N 3.37Å; Q353-N357 PolarHBondContact O-ND2 3.33Å; Q353-N357 PolarHBondContact O-OD1 2.93Å; E354-N357 PolarHBondContact O-N 3.11Å; N357-R361 WeakPolarHBondContact O-CG 3.18Å; N357-R361 PolarHBondContact O-N 3.04Å; N357-R361 VanDerWaalsContact O-N 3.14Å; N357-Y457 PolarHBondContact OD1-OH 3.21Å
358S95.7Very high94.1Very high15 Ų1568.2 Ų68.211%0.10534%0.34CS..Hα-helixtrans-72.8-43.6-179.3-157.10000112.1E354 R355 L356 K360 R361 V362E354-S358 WeakPolarHBondContact O-CB 3.47Å; E354-S358 PolarHBondContact O-N 2.97Å; R355-S358 PolarHBondContact O-N 3.31Å; L356-S358 VanDerWaalsContact C-N 3.3Å; L356-S358 PolarHBondContact O-N 2.85Å; S358-K360 PolarHBondContact O-N 3.3Å; S358-R361 PolarHBondContact O-N 3.37Å; S358-V362 PolarHBondContact O-N 2.84Å
359I96.4Very high94.3Very high0 Ų067.6 Ų67.60%033%0.328CS..Hα-helixtrans-59.6-38.7174.3-68.1166.2000110.2W343 A346 I347 R355 L356 V362 L363 L447 C450 L451 F458W343-I359 HydrophobicContact CZ3-CG2 4.03Å; A346-I359 HydrophobicContact CB-CG1 3.97Å; I347-I359 HydrophobicContact CD1-CD1 3.79Å; R355-I359 HydrophobicContact CG-CD1 4Å; R355-I359 VanDerWaalsContact O-CG1 3.27Å; R355-I359 WeakPolarHBondContact O-CG1 3.21Å; R355-I359 PolarHBondContact O-N 3.22Å; L356-I359 PolarHBondContact O-N 3.32Å; I359-V362 PolarHBondContact O-N 2.87Å; I359-L363 HydrophobicContact CG2-CD1 4.49Å; I359-L363 PolarHBondContact O-N 3.06Å; I359-L447 HydrophobicContact CD1-CD1 4.03Å; I359-L447 HydrophobicContact CG1-CD1 4.1Å; I359-L447 HydrophobicContact CG2-CD1 4.22Å; I359-C450 HydrophobicContact CD1-CB 4.45Å; I359-L451 HydrophobicContact CG2-CD2 3.81Å; I359-F458 HydrophobicContact CB-CE1 3.84Å; I359-F458 HydrophobicContact CB-CZ 3.87Å; I359-F458 HydrophobicContact CD1-CZ 4.35Å; I359-F458 HydrophobicContact CG2-CD1 4.37Å; I359-F458 HydrophobicContact CG2-CE1 3.52Å; I359-F458 HydrophobicContact CG2-CE2 4.32Å; I359-F458 HydrophobicContact CG2-CZ 3.48Å; I359-F458 VanDerWaalsContact CG2-CZ 3.48Å
360K95.7Very high94.5Very high78 Ų7865.8 Ų65.834%0.33932%0.32SS..Hα-helixtrans-63.6-43175.5-173.6172.4176.7171.20112.7L356 S358 V362 L363 E364 Y457 F458L356-K360 WeakPolarHBondContact O-CB 3.42Å; L356-K360 PolarHBondContact O-N 2.88Å; S358-K360 PolarHBondContact O-N 3.3Å; K360-V362 PolarHBondContact O-N 3.41Å; K360-L363 WeakPolarHBondContact O-CB 3.22Å; K360-L363 PolarHBondContact O-N 3.15Å; K360-E364 WeakPolarHBondContact CE-OE1 3.4Å; K360-E364 WeakPolarHBondContact CG-OE1 3.39Å; K360-E364 WeakPolarHBondContact O-CG 3.26Å; K360-E364 PolarHBondContact O-N 3.42Å; K360-Y457 HydrophobicContact CD-CE1 4.46Å; K360-F458 HydrophobicContact CB-CD1 4.28Å; K360-F458 HydrophobicContact CB-CE1 4.26Å
361R95.9Very high94.9Very high149 Ų14962.5 Ų62.556%0.56230%0.302SS*.Hα-helixtrans-60.4-31.7174.6-69.5169.1-172.5157.1-0.2113.3N357 S358N357-R361 WeakPolarHBondContact O-CG 3.18Å; N357-R361 PolarHBondContact O-N 3.04Å; N357-R361 VanDerWaalsContact O-N 3.14Å; S358-R361 PolarHBondContact O-N 3.37Å
362V95.9Very high95Very high4 Ų460.6 Ų60.62%0.02429%0.285CS..Hα-helixtrans-76.4-41.5175-172.30000110.5F339 E342 W343 A346 S358 I359 K360 E364 K365 V366F339-V362 HydrophobicContact CB-CG1 3.91Å; F339-V362 HydrophobicContact CG-CG1 4.27Å; E342-V362 HydrophobicContact CB-CG1 4.21Å; E342-V362 HydrophobicContact CB-CG2 3.94Å; W343-V362 HydrophobicContact CD2-CB 4.35Å; W343-V362 HydrophobicContact CD2-CG1 3.67Å; W343-V362 HydrophobicContact CE3-CB 3.87Å; W343-V362 HydrophobicContact CE3-CG1 3.71Å; W343-V362 HydrophobicContact CE3-CG2 4.48Å; W343-V362 HydrophobicContact CG-CG1 4.38Å; W343-V362 HydrophobicContact CH2-CB 3.91Å; W343-V362 HydrophobicContact CH2-CG1 3.69Å; W343-V362 HydrophobicContact CZ2-CB 4.4Å; W343-V362 HydrophobicContact CZ2-CG1 3.67Å; W343-V362 HydrophobicContact CZ3-CB 3.62Å; W343-V362 HydrophobicContact CZ3-CG1 3.72Å; A346-V362 HydrophobicContact CB-CG2 4.19Å; S358-V362 PolarHBondContact O-N 2.84Å; I359-V362 PolarHBondContact O-N 2.87Å; K360-V362 PolarHBondContact O-N 3.41Å; V362-E364 PolarHBondContact O-N 3.4Å; V362-K365 WeakPolarHBondContact O-CB 3.46Å; V362-K365 PolarHBondContact O-N 2.81Å; V362-V366 WeakPolarHBondContact O-CG2 3.42Å; V362-V366 PolarHBondContact O-N 3.39Å
363L95.7Very high95.3Very high4 Ų456 Ų562%0.02126%0.261CS..Hα-helixtrans-55.3-37.3170.8-75.7169.6000112.4W343 I359 K360 K365 V366 Y371 I374 L451 F458 F459W343-L363 HydrophobicContact CH2-CD2 3.81Å; W343-L363 HydrophobicContact CH2-CG 3.85Å; W343-L363 HydrophobicContact CZ3-CG 4.32Å; I359-L363 HydrophobicContact CG2-CD1 4.49Å; I359-L363 PolarHBondContact O-N 3.06Å; K360-L363 WeakPolarHBondContact O-CB 3.22Å; K360-L363 PolarHBondContact O-N 3.15Å; L363-K365 PolarHBondContact O-N 3.44Å; L363-V366 PolarHBondContact O-N 3.28Å; L363-Y371 HydrophobicContact CB-CD2 4.35Å; L363-Y371 HydrophobicContact CB-CE2 4.22Å; L363-Y371 HydrophobicContact CD2-CD2 4.44Å; L363-I374 HydrophobicContact CD2-CG2 4.23Å; L363-L451 HydrophobicContact CD1-CD2 4.17Å; L363-F458 HydrophobicContact CD1-CB 4.04Å; L363-F458 HydrophobicContact CD1-CD1 3.68Å; L363-F458 HydrophobicContact CD1-CE1 4.37Å; L363-F458 HydrophobicContact CD1-CG 3.99Å; L363-F459 HydrophobicContact CD1-CE1 4.31Å; L363-F459 HydrophobicContact CD1-CZ 4.03Å; L363-F459 HydrophobicContact CD2-CZ 4.18Å
364E94.4Very high95.5Very high133 Ų13351.5 Ų51.562%0.62124%0.24SC*.THydrogen-bonded Turntrans-68.9-14.5176.6-72.1163.717900113.9K360 V362K360-E364 WeakPolarHBondContact CE-OE1 3.4Å; K360-E364 WeakPolarHBondContact CG-OE1 3.39Å; K360-E364 WeakPolarHBondContact O-CG 3.26Å; K360-E364 PolarHBondContact O-N 3.42Å; V362-E364 PolarHBondContact O-N 3.4Å
365K94.5Very high95.6Very high110 Ų11049.8 Ų49.848%0.47823%0.23SC..THydrogen-bonded Turntrans-95.4-19.5173.9-68.9173.5171.3-178.10114.1F339 E342 V362 L363F339-K365 HydrophobicContact CD1-CB 4.49Å; F339-K365 HydrophobicContact CE1-CB 3.8Å; F339-K365 HydrophobicContact CE1-CD 4.19Å; F339-K365 HydrophobicContact CZ-CB 3.92Å; F339-K365 WeakPolarHBondContact CZ-O 2.92Å; E342-K365 IonicContact OE1-NZ 3.79Å; E342-K365 PolarHBondContact OE1-NZ 3.32Å; E342-K365 IonicContact OE2-NZ 2.68Å; E342-K365 PolarHBondContact OE2-NZ 3.27Å; V362-K365 WeakPolarHBondContact O-CB 3.46Å; V362-K365 PolarHBondContact O-N 2.81Å; L363-K365 PolarHBondContact O-N 3.44Å
366V94.1Very high95.7Very high10 Ų1048 Ų486%0.06122%0.223CC..SBendtrans-68.2138.9-175.51700000110.2F339 W343 V362 L363 E368 N370 I374F339-V366 HydrophobicContact CD2-CG2 4.03Å; F339-V366 HydrophobicContact CE2-CG2 4.12Å; W343-V366 HydrophobicContact CH2-CG2 4.37Å; W343-V366 HydrophobicContact CZ2-CG2 3.8Å; V362-V366 WeakPolarHBondContact O-CG2 3.42Å; V362-V366 PolarHBondContact O-N 3.39Å; L363-V366 PolarHBondContact O-N 3.28Å; V366-E368 PolarHBondContact O-N 3.08Å; V366-N370 HydrophobicContact CG1-CB 3.44Å; V366-N370 VanDerWaalsContact CG1-CB 3.44Å; V366-I374 HydrophobicContact CG1-CD1 3.81Å
367P95Very high95.7Very high61 Ų6147.6 Ų47.640%0.39622%0.221SC..  trans-49.8137.7175.3-3035.7000112.9C369 N370 Y371P367-C369 PolarHBondContact O-N 2.87Å; P367-C369 VanDerWaalsContact O-N 3.11Å; P367-N370 CarbonylContact O-C 3.57Å; P367-N370 WeakPolarHBondContact O-CA 3.14Å; P367-N370 WeakPolarHBondContact O-CB 2.93Å; P367-N370 PolarHBondContact O-N 2.68Å; P367-Y371 PolarHBondContact O-N 3.45Å
368E94.4Very high95.8Very high129 Ų12944.9 Ų44.960%0.60321%0.206SC*.Hα-helixtrans-53.5-39.8-171.9-169.3-166.8152.900113.2V366 Y371 K372V366-E368 PolarHBondContact O-N 3.08Å; E368-Y371 PolarHBondContact O-N 3.49Å; E368-K372 HydrophobicContact CG-CD 4.35Å; E368-K372 WeakPolarHBondContact O-CB 3.47Å; E368-K372 WeakPolarHBondContact O-CG 3.4Å; E368-K372 PolarHBondContact O-N 3.41Å; E368-K372 WeakPolarHBondContact OE1-CE 3.35Å; E368-K372 IonicContact OE1-NZ 2.73Å; E368-K372 PolarHBondContact OE1-NZ 3.39Å
369C94.6Very high95.9Very high36 Ų3644.8 Ų44.824%0.24320%0.204CC..Hα-helixtrans-60.4-45.7174.848.70000112.7L257 P367 N373L257-C369 HydrophobicContact CD1-CB 3.61Å; P367-C369 PolarHBondContact O-N 2.87Å; P367-C369 VanDerWaalsContact O-N 3.11Å; C369-N373 PolarHBondContact O-N 3.31Å; C369-N373 PolarHBondContact O-ND2 3.06Å
370N96.2Very high95.9Very high15 Ų1544.8 Ų44.88%0.0820%0.204CC..Hα-helixtrans-64.4-48.1172.5-75.364.1000110.5L253 L334 C336 V366 P367 K372 N373 I374L253-N370 HydrophobicContact CD2-CB 4.42Å; L334-N370 PolarHBondContact O-ND2 3.32Å; C336-N370 PolarHBondContact SG-ND2 2.99Å; C336-N370 VanDerWaalsContact SG-ND2 3.36Å; V366-N370 HydrophobicContact CG1-CB 3.44Å; V366-N370 VanDerWaalsContact CG1-CB 3.44Å; P367-N370 CarbonylContact O-C 3.57Å; P367-N370 WeakPolarHBondContact O-CA 3.14Å; P367-N370 WeakPolarHBondContact O-CB 2.93Å; P367-N370 PolarHBondContact O-N 2.68Å; N370-K372 PolarHBondContact O-N 3.14Å; N370-N373 CarbonylContact O-C 3.59Å; N370-N373 PolarHBondContact O-N 3.48Å; N370-N373 VanDerWaalsContact O-N 3.1Å; N370-I374 HydrophobicContact CB-CD1 4.38Å; N370-I374 WeakPolarHBondContact O-CD1 3.42Å; N370-I374 VanDerWaalsContact O-CG1 3.22Å; N370-I374 WeakPolarHBondContact O-CG1 3.33Å; N370-I374 PolarHBondContact O-N 3.31Å
371Y96.3Very high95.9Very high75 Ų7541 Ų4129%0.29419%0.188SC..Hα-helixtrans-54.6-48.8179.4177.2-91.2000112.6L363 P367 E368 N373 I374 R375 F459L363-Y371 HydrophobicContact CB-CD2 4.35Å; L363-Y371 HydrophobicContact CB-CE2 4.22Å; L363-Y371 HydrophobicContact CD2-CD2 4.44Å; P367-Y371 PolarHBondContact O-N 3.45Å; E368-Y371 PolarHBondContact O-N 3.49Å; Y371-N373 VanDerWaalsContact C-N 3.32Å; Y371-N373 PolarHBondContact O-N 3.48Å; Y371-I374 PolarHBondContact O-N 2.88Å; Y371-R375 WeakPolarHBondContact O-CB 3.41Å; Y371-R375 PolarHBondContact O-N 3.29Å; Y371-F459 HydrophobicContact CD2-CE1 4.46Å; Y371-F459 HydrophobicContact CE2-CD1 4.4Å; Y371-F459 AromaticContact CE2-CE1 3.74Å; Y371-F459 HydrophobicContact CE2-CE1 3.74Å; Y371-F459 AromaticContact CZ-CE1 3.86Å
372K95.7Very high95.9Very high49 Ų4934.6 Ų34.621%0.21317%0.165CC..Hα-helixtrans-58.3-42176.8-76175.2170.3171.10112.1E263 I264 E368 N370 Y376E263-K372 HydrophobicContact CB-CD 4.28Å; E263-K372 IonicContact OE1-NZ 2.63Å; E263-K372 PolarHBondContact OE1-NZ 3.04Å; E263-K372 IonicContact OE2-NZ 2.65Å; I264-K372 HydrophobicContact CD1-CB 4.14Å; I264-K372 WeakPolarHBondContact CD1-O 3.45Å; E368-K372 HydrophobicContact CG-CD 4.35Å; E368-K372 WeakPolarHBondContact O-CB 3.47Å; E368-K372 WeakPolarHBondContact O-CG 3.4Å; E368-K372 PolarHBondContact O-N 3.41Å; E368-K372 WeakPolarHBondContact OE1-CE 3.35Å; E368-K372 IonicContact OE1-NZ 2.73Å; E368-K372 PolarHBondContact OE1-NZ 3.39Å; N370-K372 PolarHBondContact O-N 3.14Å; K372-Y376 WeakPolarHBondContact O-CB 3.36Å; K372-Y376 PolarHBondContact O-N 3.48Å; K372-Y376 VanDerWaalsContact O-N 3.08Å
373N96.9Very high95.9Very high0 Ų038.3 Ų38.30%018%0.181CC..Hα-helixtrans-75.2-33.4179.7-77.6-92.5000113.1L253 E263 I264 A265 L268 L334 C369 N370 Y371 L377L253-N373 HydrophobicContact CD2-CB 4.16Å; E263-N373 PolarHBondContact O-ND2 3.34Å; I264-N373 WeakPolarHBondContact CA-OD1 3.25Å; A265-N373 PolarHBondContact N-OD1 3.01Å; L268-N373 HydrophobicContact CD1-CB 3.97Å; L268-N373 WeakPolarHBondContact CD1-OD1 3.49Å; L334-N373 HydrophobicContact CD1-CB 3.89Å; C369-N373 PolarHBondContact O-N 3.31Å; C369-N373 PolarHBondContact O-ND2 3.06Å; N370-N373 CarbonylContact O-C 3.59Å; N370-N373 PolarHBondContact O-N 3.48Å; N370-N373 VanDerWaalsContact O-N 3.1Å; Y371-N373 VanDerWaalsContact C-N 3.32Å; Y371-N373 PolarHBondContact O-N 3.48Å; N373-L377 WeakPolarHBondContact O-CB 3.38Å; N373-L377 PolarHBondContact O-N 2.91Å
374I96.8Very high95.9Very high3 Ų338.1 Ų38.12%0.01518%0.18CC..Hα-helixtrans-63.1-52.3170.2-64.9156.1000109.6L334 L335 L363 V366 N370 Y371 Y376 L377 I378 F459L334-I374 HydrophobicContact CD1-CG1 4.33Å; L334-I374 HydrophobicContact CD2-CG1 4.21Å; L334-I374 HydrophobicContact CG-CG1 3.79Å; L335-I374 HydrophobicContact CD2-CD1 3.8Å; L335-I374 HydrophobicContact CD2-CG1 4.01Å; L335-I374 HydrophobicContact CD2-CG2 4.09Å; L363-I374 HydrophobicContact CD2-CG2 4.23Å; V366-I374 HydrophobicContact CG1-CD1 3.81Å; N370-I374 HydrophobicContact CB-CD1 4.38Å; N370-I374 WeakPolarHBondContact O-CD1 3.42Å; N370-I374 VanDerWaalsContact O-CG1 3.22Å; N370-I374 WeakPolarHBondContact O-CG1 3.33Å; N370-I374 PolarHBondContact O-N 3.31Å; Y371-I374 PolarHBondContact O-N 2.88Å; I374-Y376 VanDerWaalsContact C-N 3.29Å; I374-Y376 PolarHBondContact O-N 3.45Å; I374-L377 PolarHBondContact O-N 2.88Å; I374-I378 HydrophobicContact CG2-CG1 3.93Å; I374-I378 WeakPolarHBondContact O-CB 3.37Å; I374-I378 VanDerWaalsContact O-CG1 3.31Å; I374-I378 WeakPolarHBondContact O-CG1 3.34Å; I374-I378 PolarHBondContact O-N 3.32Å; I374-F459 HydrophobicContact CG2-CZ 4.07Å
375R96.5Very high96Very high53 Ų5332.4 Ų32.420%0.216%0.156CC..Hα-helixtrans-51.6-48.8177.6169.9170.4175.9-70.7-9.8111.2Y371 K379 F459 D461 D462 I463Y371-R375 WeakPolarHBondContact O-CB 3.41Å; Y371-R375 PolarHBondContact O-N 3.29Å; R375-K379 WeakPolarHBondContact O-CB 3.21Å; R375-K379 PolarHBondContact O-N 3.35Å; R375-K379 VanDerWaalsContact O-N 3.11Å; R375-F459 HydrophobicContact CB-CD1 3.62Å; R375-F459 HydrophobicContact CB-CD2 4.49Å; R375-F459 HydrophobicContact CB-CE1 3.73Å; R375-F459 HydrophobicContact CB-CG 4.03Å; R375-F459 HydrophobicContact CB-CZ 4.24Å; R375-F459 HydrophobicContact CG-CB 3.97Å; R375-F459 HydrophobicContact CG-CD1 3.68Å; R375-F459 HydrophobicContact CG-CE1 4.32Å; R375-F459 HydrophobicContact CG-CG 3.79Å; R375-D461 IonicContact CZ-OD2 3.25Å; R375-D461 IonicContact NE-OD2 3.57Å; R375-D461 PolarHBondContact NE-OD2 3.08Å; R375-D461 PolarHBondContact NH2-O 2.75Å; R375-D461 IonicContact NH2-OD2 3.76Å; R375-D461 PolarHBondContact NH2-OD2 2.99Å; R375-D462 PolarHBondContact NH2-O 3.16Å; R375-I463 HydrophobicContact CG-CD1 3.96Å
376Y96.8Very high96Very high14 Ų1433.1 Ų33.16%0.05516%0.161CC..Hα-helixtrans-61.8-49.1179-166.4-93.1000112.6I264 E269 C272 K372 I374 F380 I463 F465I264-Y376 HydrophobicContact CD1-CD2 4.17Å; I264-Y376 HydrophobicContact CD1-CG 4.13Å; I264-Y376 HydrophobicContact CG1-CD2 4.01Å; I264-Y376 HydrophobicContact CG1-CE2 4.44Å; I264-Y376 HydrophobicContact CG1-CG 4.26Å; I264-Y376 HydrophobicContact CG2-CD1 3.77Å; I264-Y376 HydrophobicContact CG2-CD2 4.29Å; I264-Y376 HydrophobicContact CG2-CE1 3.99Å; I264-Y376 HydrophobicContact CG2-CE2 4.5Å; I264-Y376 HydrophobicContact CG2-CG 3.94Å; E269-Y376 PolarHBondContact O-OH 2.74Å; C272-Y376 HydrophobicContact CB-CE1 3.74Å; K372-Y376 WeakPolarHBondContact O-CB 3.36Å; K372-Y376 PolarHBondContact O-N 3.48Å; K372-Y376 VanDerWaalsContact O-N 3.08Å; I374-Y376 VanDerWaalsContact C-N 3.29Å; I374-Y376 PolarHBondContact O-N 3.45Å; Y376-F380 PolarHBondContact O-N 2.89Å; Y376-I463 HydrophobicContact CD2-CD1 4.33Å; Y376-I463 HydrophobicContact CD2-CG2 3.7Å; Y376-I463 HydrophobicContact CE2-CG2 3.68Å; Y376-F465 HydrophobicContact CD1-CE1 4.11Å; Y376-F465 HydrophobicContact CD2-CE1 4.08Å; Y376-F465 AromaticContact CE1-CD1 3.91Å; Y376-F465 HydrophobicContact CE1-CD1 3.91Å; Y376-F465 AromaticContact CE1-CE1 3.93Å; Y376-F465 HydrophobicContact CE1-CE1 3.93Å; Y376-F465 AromaticContact CE2-CD1 3.93Å; Y376-F465 HydrophobicContact CE2-CD1 3.93Å; Y376-F465 AromaticContact CE2-CE1 3.9Å; Y376-F465 HydrophobicContact CE2-CE1 3.9Å; Y376-F465 HydrophobicContact CG-CE1 4.19Å; Y376-F465 AromaticContact CZ-CD1 3.56Å; Y376-F465 AromaticContact CZ-CE1 3.83Å; Y376-F465 WeakPolarHBondContact O-CE1 3.42Å
377L97.3Very high95.9Very high1 Ų135 Ų351%0.00517%0.17CC..Hα-helixtrans-66-43.9179.5-178.460.2000112.7L268 L327 L334 N373 I374 F380 L381 F402 L406L268-L377 HydrophobicContact CD2-CB 4.01Å; L268-L377 HydrophobicContact CD2-CD1 3.86Å; L268-L377 HydrophobicContact CD2-CD2 4.34Å; L268-L377 HydrophobicContact CD2-CG 4.28Å; L327-L377 HydrophobicContact CD1-CD2 3.72Å; L327-L377 HydrophobicContact CD2-CD2 4.18Å; L334-L377 HydrophobicContact CD2-CD2 3.93Å; N373-L377 WeakPolarHBondContact O-CB 3.38Å; N373-L377 PolarHBondContact O-N 2.91Å; I374-L377 PolarHBondContact O-N 2.88Å; L377-F380 PolarHBondContact O-N 3.43Å; L377-L381 HydrophobicContact CD1-CD1 4.17Å; L377-L381 HydrophobicContact CD1-CG 4.1Å; L377-L381 HydrophobicContact CG-CD1 4.06Å; L377-L381 HydrophobicContact CG-CG 4.35Å; L377-L381 WeakPolarHBondContact O-CG 3.2Å; L377-L381 PolarHBondContact O-N 3.06Å; L377-F402 HydrophobicContact CD1-CE1 4.44Å; L377-L406 HydrophobicContact CD2-CD1 4.23Å; L377-L406 HydrophobicContact CD2-CD2 3.66Å
378I97.4Very high95.9Very high3 Ų336.7 Ų36.72%0.01517%0.173CC..Hα-helixtrans-69.3-40.2-175.9-66.7-63.4000111.5I374 F380 L381 C382 L451 I452 F459I374-I378 HydrophobicContact CG2-CG1 3.93Å; I374-I378 WeakPolarHBondContact O-CB 3.37Å; I374-I378 VanDerWaalsContact O-CG1 3.31Å; I374-I378 WeakPolarHBondContact O-CG1 3.34Å; I374-I378 PolarHBondContact O-N 3.32Å; I378-F380 VanDerWaalsContact C-N 3.33Å; I378-F380 PolarHBondContact O-N 3Å; I378-L381 PolarHBondContact O-N 3.32Å; I378-C382 WeakPolarHBondContact O-CB 3.37Å; I378-C382 PolarHBondContact O-N 3.1Å; I378-L451 HydrophobicContact CD1-CB 4Å; I378-L451 HydrophobicContact CG1-CB 4.43Å; I378-L451 HydrophobicContact CG2-CB 4.23Å; I378-L451 WeakPolarHBondContact CG2-O 3.35Å; I378-I452 HydrophobicContact CD1-CG1 4.2Å; I378-F459 HydrophobicContact CB-CD2 4.48Å; I378-F459 HydrophobicContact CB-CE2 3.96Å; I378-F459 HydrophobicContact CG1-CE2 4.45Å; I378-F459 HydrophobicContact CG2-CD2 4.26Å; I378-F459 HydrophobicContact CG2-CE2 3.9Å
379K96.6Very high95.9Very high13 Ų1333.8 Ų33.86%0.05717%0.171CC..Hα-helixtrans-61.3-40.1170.6-83.4-86.7-166.7174.10111.6R375 C382 K383 N456 F459 P460 D461 D462 I463 F465R375-K379 WeakPolarHBondContact O-CB 3.21Å; R375-K379 PolarHBondContact O-N 3.35Å; R375-K379 VanDerWaalsContact O-N 3.11Å; K379-C382 WeakPolarHBondContact O-CB 3.49Å; K379-C382 PolarHBondContact O-N 3.29Å; K379-K383 PolarHBondContact O-N 3.41Å; K379-N456 PolarHBondContact NZ-OD1 2.98Å; K379-F459 WeakPolarHBondContact CE-O 3.49Å; K379-F459 HydrophobicContact CG-CB 4.48Å; K379-F459 PolarHBondContact NZ-O 3.49Å; K379-F459 VanDerWaalsContact NZ-O 3.13Å; K379-P460 PolarHBondContact NZ-O 3.26Å; K379-P460 VanDerWaalsContact NZ-O 3.12Å; K379-D461 WeakPolarHBondContact CE-O 3.44Å; K379-D461 PolarHBondContact NZ-O 2.89Å; K379-D462 IonicContact NZ-OD1 3.53Å; K379-D462 PolarHBondContact NZ-OD1 2.84Å; K379-I463 HydrophobicContact CB-CD1 3.84Å; K379-I463 HydrophobicContact CB-CG1 4.39Å; K379-I463 HydrophobicContact CG-CD1 3.88Å; K379-I463 HydrophobicContact CG-CG1 4.27Å; K379-F465 HydrophobicContact CB-CZ 3.95Å
380F96.5Very high95.9Very high0 Ų034.7 Ų34.70%018%0.175CC..Hα-helixtrans-64-47.4175.5172-97.6000112.1C272 L275 T276 F286 Y376 L377 I378 C382 K383 V384 F465C272-F380 HydrophobicContact CB-CB 4.2Å; C272-F380 HydrophobicContact CB-CD1 4.27Å; C272-F380 HydrophobicContact CB-CD2 3.71Å; C272-F380 HydrophobicContact CB-CE2 4.21Å; C272-F380 HydrophobicContact CB-CG 3.76Å; C272-F380 VanDerWaalsContact O-CE2 3.22Å; C272-F380 WeakPolarHBondContact O-CE2 3.31Å; L275-F380 HydrophobicContact CB-CE2 3.97Å; L275-F380 HydrophobicContact CB-CZ 3.59Å; L275-F380 HydrophobicContact CD1-CZ 4.17Å; T276-F380 WeakPolarHBondContact OG1-CE2 3.4Å; F286-F380 AromaticContact CE2-CE1 3.73Å; F286-F380 HydrophobicContact CE2-CE1 3.73Å; F286-F380 HydrophobicContact CE2-CZ 4.3Å; F286-F380 AromaticContact CZ-CE1 3.7Å; F286-F380 HydrophobicContact CZ-CE1 3.7Å; F286-F380 HydrophobicContact CZ-CZ 4.32Å; Y376-F380 PolarHBondContact O-N 2.89Å; L377-F380 PolarHBondContact O-N 3.43Å; I378-F380 VanDerWaalsContact C-N 3.33Å; I378-F380 PolarHBondContact O-N 3Å; F380-C382 VanDerWaalsContact C-N 3.27Å; F380-C382 PolarHBondContact O-N 3.2Å; F380-K383 WeakPolarHBondContact O-CB 3.49Å; F380-K383 PolarHBondContact O-N 3.49Å; F380-V384 HydrophobicContact CD1-CG2 4.38Å; F380-V384 HydrophobicContact CE1-CG2 3.74Å; F380-V384 HydrophobicContact CE2-CG2 4.15Å; F380-V384 HydrophobicContact CZ-CG2 3.6Å; F380-V384 PolarHBondContact O-N 3.07Å; F380-F465 HydrophobicContact CB-CD1 4.28Å; F380-F465 HydrophobicContact CB-CE1 3.66Å; F380-F465 HydrophobicContact CB-CE2 4.28Å; F380-F465 HydrophobicContact CB-CZ 3.66Å; F380-F465 HydrophobicContact CD2-CD1 4.44Å; F380-F465 HydrophobicContact CD2-CG 4.47Å
381L97Very high95.8Very high0 Ų034 Ų340%017%0.171CC..Hα-helixtrans-64.3-32.6177.3-67.1179.4000112.2F286 L377 I378 V384 A385 L398 F402 I452F286-L381 HydrophobicContact CD2-CD2 4.46Å; F286-L381 HydrophobicContact CE2-CD2 4.15Å; L377-L381 HydrophobicContact CD1-CD1 4.17Å; L377-L381 HydrophobicContact CD1-CG 4.1Å; L377-L381 HydrophobicContact CG-CD1 4.06Å; L377-L381 HydrophobicContact CG-CG 4.35Å; L377-L381 WeakPolarHBondContact O-CG 3.2Å; L377-L381 PolarHBondContact O-N 3.06Å; I378-L381 PolarHBondContact O-N 3.32Å; L381-V384 PolarHBondContact O-N 3.37Å; L381-A385 WeakPolarHBondContact O-CB 3.29Å; L381-A385 PolarHBondContact O-N 2.89Å; L381-L398 HydrophobicContact CB-CD1 4.35Å; L381-L398 HydrophobicContact CD2-CD1 4.41Å; L381-L398 HydrophobicContact CD2-CD2 4.42Å; L381-L398 WeakPolarHBondContact O-CD1 3.46Å; L381-F402 HydrophobicContact CD1-CD1 4.19Å; L381-F402 HydrophobicContact CD1-CD2 3.89Å; L381-F402 HydrophobicContact CD1-CE1 4.32Å; L381-F402 HydrophobicContact CD1-CE2 4.05Å; L381-F402 HydrophobicContact CD1-CG 3.96Å; L381-F402 HydrophobicContact CD1-CZ 4.26Å; L381-F402 HydrophobicContact CD2-CD2 4.09Å; L381-F402 HydrophobicContact CD2-CE2 3.48Å; L381-F402 VanDerWaalsContact CD2-CE2 3.48Å; L381-F402 HydrophobicContact CD2-CZ 3.72Å; L381-F402 HydrophobicContact CG-CE2 4.43Å; L381-I452 HydrophobicContact CB-CD1 3.93Å; L381-I452 HydrophobicContact CB-CG1 4Å; L381-I452 HydrophobicContact CD1-CD1 4.1Å
382C96.1Very high95.7Very high13 Ų1334.6 Ų34.69%0.08818%0.176CC..Hα-helixtrans-62.6-43.5169.8-171.20000111.8I378 K379 F380 V384 A385 Q386 I452 S455I378-C382 WeakPolarHBondContact O-CB 3.37Å; I378-C382 PolarHBondContact O-N 3.1Å; K379-C382 WeakPolarHBondContact O-CB 3.49Å; K379-C382 PolarHBondContact O-N 3.29Å; F380-C382 VanDerWaalsContact C-N 3.27Å; F380-C382 PolarHBondContact O-N 3.2Å; C382-V384 VanDerWaalsContact C-N 3.33Å; C382-V384 PolarHBondContact O-N 2.91Å; C382-A385 CarbonylContact O-C 3.59Å; C382-A385 PolarHBondContact O-N 3.38Å; C382-A385 VanDerWaalsContact O-N 3.12Å; C382-Q386 VanDerWaalsContact O-CG 3.29Å; C382-Q386 WeakPolarHBondContact O-CG 3.4Å; C382-Q386 PolarHBondContact O-N 2.84Å; C382-Q386 PolarHBondContact SG-NE2 3.46Å; C382-Q386 VanDerWaalsContact SG-NE2 3.42Å; C382-I452 HydrophobicContact CB-CG2 4.35Å; C382-I452 PolarHBondContact SG-O 3.37Å; C382-S455 VanDerWaalsContact CB-OG 3.29Å; C382-S455 WeakPolarHBondContact CB-OG 3.38Å; C382-S455 PolarHBondContact SG-OG 2.9Å
383K94.8Very high95.6Very high82 Ų8232.3 Ų32.336%0.35717%0.166SC..Hα-helixtrans-60.7-39.1174.8-167.3173.7-175.3177.70112.5T276 L280 K379 F380 Q386 N387 F465T276-K383 HydrophobicContact CG2-CD 4.24Å; L280-K383 HydrophobicContact CD1-CD 4.18Å; L280-K383 HydrophobicContact CD1-CG 4.22Å; K379-K383 PolarHBondContact O-N 3.41Å; F380-K383 WeakPolarHBondContact O-CB 3.49Å; F380-K383 PolarHBondContact O-N 3.49Å; K383-Q386 PolarHBondContact O-N 3.32Å; K383-N387 PolarHBondContact O-N 2.92Å; K383-F465 HydrophobicContact CD-CD2 4.39Å
384V95.9Very high95.6Very high0 Ų034.9 Ų34.90%018%0.181CC..Hα-helixtrans-64.8-39.9173.41780000111.8L280 L285 F286 F380 L381 C382 N387 T391 M393 L398L280-V384 HydrophobicContact CD2-CG2 3.88Å; L285-V384 HydrophobicContact CD2-CG1 4.09Å; L285-V384 HydrophobicContact CD2-CG2 4.06Å; F286-V384 HydrophobicContact CE2-CG2 4.47Å; F380-V384 HydrophobicContact CD1-CG2 4.38Å; F380-V384 HydrophobicContact CE1-CG2 3.74Å; F380-V384 HydrophobicContact CE2-CG2 4.15Å; F380-V384 HydrophobicContact CZ-CG2 3.6Å; F380-V384 PolarHBondContact O-N 3.07Å; L381-V384 PolarHBondContact O-N 3.37Å; C382-V384 VanDerWaalsContact C-N 3.33Å; C382-V384 PolarHBondContact O-N 2.91Å; V384-N387 PolarHBondContact O-N 3.44Å; V384-T391 HydrophobicContact CG1-CG2 4.36Å; V384-T391 PolarHBondContact O-OG1 2.96Å; V384-M393 HydrophobicContact CG1-CB 4.39Å; V384-L398 HydrophobicContact CB-CD1 4.13Å; V384-L398 HydrophobicContact CG1-CD1 4.01Å; V384-L398 HydrophobicContact CG1-CD2 4.24Å
385A95.7Very high95.5Very high13 Ų1335.3 Ų35.311%0.10719%0.186CC..Hα-helixtrans-72.7-31.1177.400000113.5L381 C382 N387 H388 M393 A395 L398 I452L381-A385 WeakPolarHBondContact O-CB 3.29Å; L381-A385 PolarHBondContact O-N 2.89Å; C382-A385 CarbonylContact O-C 3.59Å; C382-A385 PolarHBondContact O-N 3.38Å; C382-A385 VanDerWaalsContact O-N 3.12Å; A385-N387 VanDerWaalsContact C-N 3.31Å; A385-H388 VanDerWaalsContact O-CB 3.27Å; A385-H388 WeakPolarHBondContact O-CB 3.33Å; A385-H388 PolarHBondContact O-N 3.08Å; A385-H388 PolarHBondContact O-ND1 2.82Å; A385-M393 WeakPolarHBondContact CA-O 3.33Å; A385-A395 HydrophobicContact CB-CB 4.29Å; A385-L398 HydrophobicContact CB-CD1 4.1Å; A385-I452 HydrophobicContact CB-CG2 4.1Å
386Q94.7Very high95.4Very high126 Ų12638.8 Ų38.859%0.58920%0.204SC*.Hα-helixtrans-62.4-41.2171.6-73.9166.91.600110.3C382 K383 H388C382-Q386 VanDerWaalsContact O-CG 3.29Å; C382-Q386 WeakPolarHBondContact O-CG 3.4Å; C382-Q386 PolarHBondContact O-N 2.84Å; C382-Q386 PolarHBondContact SG-NE2 3.46Å; C382-Q386 VanDerWaalsContact SG-NE2 3.42Å; K383-Q386 PolarHBondContact O-N 3.32Å; Q386-H388 PolarHBondContact O-N 3.19Å
387N93.8Very high95.3Very high49 Ų4940.8 Ų40.826%0.26222%0.216SC..THydrogen-bonded Turntrans-8423.6175.3-154.227.7000114.7L280 K383 V384 A385 A389 V390 T391L280-N387 PolarHBondContact O-ND2 3.05Å; K383-N387 PolarHBondContact O-N 2.92Å; V384-N387 PolarHBondContact O-N 3.44Å; A385-N387 VanDerWaalsContact C-N 3.31Å; N387-A389 PolarHBondContact O-N 2.67Å; N387-V390 PolarHBondContact O-N 3.11Å; N387-T391 HydrophobicContact CB-CG2 4.3Å; N387-T391 PolarHBondContact O-N 2.72Å; N387-T391 PolarHBondContact O-OG1 2.96Å
388H94.1Very high95.3Very high96 Ų9640.7 Ų40.744%0.44422%0.215SC..Hα-helixtrans-58-22.7-178.869-84.6000114.3A385 Q386 V390 T391 K392 M393A385-H388 VanDerWaalsContact O-CB 3.27Å; A385-H388 WeakPolarHBondContact O-CB 3.33Å; A385-H388 PolarHBondContact O-N 3.08Å; A385-H388 PolarHBondContact O-ND1 2.82Å; Q386-H388 PolarHBondContact O-N 3.19Å; H388-V390 PolarHBondContact O-N 3.08Å; H388-T391 WeakPolarHBondContact CA-OG1 3.33Å; H388-K392 WeakPolarHBondContact O-CA 3.47Å; H388-K392 PolarHBondContact O-N 3.45Å; H388-M393 WeakPolarHBondContact CB-O 3.43Å
389A94.7Very high95.1Very high68 Ų6840.7 Ų40.756%0.56222%0.215SC*.Hα-helixtrans-58.7-37.1173.100000112.2N387 K392N387-A389 PolarHBondContact O-N 2.67Å; A389-K392 PolarHBondContact O-NZ 3.32Å
390V94.2Very high95Very high55 Ų5545.5 Ų45.533%0.33324%0.241SC..Hα-helixtrans-92.6-56.2173.8-174.80000110.2N387 H388 K392N387-V390 PolarHBondContact O-N 3.11Å; H388-V390 PolarHBondContact O-N 3.08Å; V390-K392 VanDerWaalsContact O-CE 3.32Å; V390-K392 WeakPolarHBondContact O-CE 3.4Å; V390-K392 PolarHBondContact O-N 3.11Å; V390-K392 VanDerWaalsContact O-N 3.12Å
391T93.3Very high94.8Very high0 Ų047.4 Ų47.40%025%0.25CS..Hα-helixtrans-67.6-17.1-172.567.10000113.9L280 E283 G284 V384 N387 H388 M393L280-T391 WeakPolarHBondContact O-CG2 3.26Å; E283-T391 CarbonylContact C-O 3.58Å; G284-T391 PolarHBondContact N-O 2.89Å; V384-T391 HydrophobicContact CG1-CG2 4.36Å; V384-T391 PolarHBondContact O-OG1 2.96Å; N387-T391 HydrophobicContact CB-CG2 4.3Å; N387-T391 PolarHBondContact O-N 2.72Å; N387-T391 PolarHBondContact O-OG1 2.96Å; H388-T391 WeakPolarHBondContact CA-OG1 3.33Å; T391-M393 WeakPolarHBondContact O-CG 3.45Å; T391-M393 PolarHBondContact O-N 3.11Å; T391-M393 PolarHBondContact OG1-N 3.25Å
392K95Very high94.7Very high89 Ų8947.4 Ų47.439%0.38725%0.25SS..  trans56.524.4-172-39.2-54.4176.1-1730113.6E283 R287 H388 A389 V390 N397E283-K392 HydrophobicContact CB-CG 4.38Å; E283-K392 HydrophobicContact CG-CG 4.27Å; E283-K392 WeakPolarHBondContact OE1-CE 3.21Å; E283-K392 IonicContact OE1-NZ 3.37Å; R287-K392 PolarHBondContact NH1-O 2.97Å; H388-K392 WeakPolarHBondContact O-CA 3.47Å; H388-K392 PolarHBondContact O-N 3.45Å; A389-K392 PolarHBondContact O-NZ 3.32Å; V390-K392 VanDerWaalsContact O-CE 3.32Å; V390-K392 WeakPolarHBondContact O-CE 3.4Å; V390-K392 PolarHBondContact O-N 3.11Å; V390-K392 VanDerWaalsContact O-N 3.12Å; K392-N397 PolarHBondContact O-ND2 3.02Å
393M94.4Very high94.5Very high0 Ų046.9 Ų46.90%025%0.247CC..  trans-119.296-177.5-66.5-54.5-65.700110.8L285 R287 V384 A385 H388 T391 N397 L398 I401L285-M393 VanDerWaalsContact O-CG 3.3Å; L285-M393 WeakPolarHBondContact O-CG 3.45Å; R287-M393 HydrophobicContact CB-CE 3.94Å; R287-M393 HydrophobicContact CB-SD 3.66Å; V384-M393 HydrophobicContact CG1-CB 4.39Å; A385-M393 WeakPolarHBondContact CA-O 3.33Å; H388-M393 WeakPolarHBondContact CB-O 3.43Å; T391-M393 WeakPolarHBondContact O-CG 3.45Å; T391-M393 PolarHBondContact O-N 3.11Å; T391-M393 PolarHBondContact OG1-N 3.25Å; M393-N397 HydrophobicContact CE-CB 3.65Å; M393-N397 HydrophobicContact SD-CB 4.2Å; M393-L398 HydrophobicContact CB-CD2 4.13Å; M393-L398 HydrophobicContact CB-CG 4.22Å; M393-L398 HydrophobicContact CE-CD2 3.73Å; M393-L398 HydrophobicContact CE-CG 4.19Å; M393-L398 HydrophobicContact CG-CD2 4.49Å; M393-I401 HydrophobicContact CE-CD1 3.44Å; M393-I401 VanDerWaalsContact CE-CD1 3.44Å
394T95.7Very high94.3Very high54 Ų5446.4 Ų46.433%0.33125%0.253SS..  trans-68.6164.7168.256.30000111.2Q396 N397 L398T394-Q396 VanDerWaalsContact C-N 3.27Å; T394-Q396 PolarHBondContact O-N 3.18Å; T394-N397 PolarHBondContact O-N 2.98Å; T394-N397 VanDerWaalsContact O-N 3.1Å; T394-N397 VanDerWaalsContact OG1-CG 3.25Å; T394-N397 PolarHBondContact OG1-N 2.96Å; T394-N397 PolarHBondContact OG1-ND2 3.47Å; T394-L398 PolarHBondContact O-N 2.88Å
395A95.5Very high94.1Very high13 Ų1346.9 Ų46.911%0.10726%0.256CS..Hα-helixtrans-52.3-46.6172.300000111.5A385 N397 L398 A399 D449 I452 T453A385-A395 HydrophobicContact CB-CB 4.29Å; A395-N397 PolarHBondContact O-N 2.88Å; A395-L398 PolarHBondContact O-N 3.15Å; A395-L398 VanDerWaalsContact O-N 3.12Å; A395-A399 WeakPolarHBondContact O-CB 3.5Å; A395-A399 PolarHBondContact O-N 2.59Å; A395-D449 WeakPolarHBondContact CB-OD1 3.19Å; A395-I452 HydrophobicContact CB-CB 4.13Å; A395-I452 HydrophobicContact CB-CG2 3.61Å; A395-T453 WeakPolarHBondContact CB-OG1 3.21Å
396Q94.9Very high94Very high125 Ų12546.4 Ų46.458%0.58425%0.252SS*.Hα-helixtrans-57.5-43.5175.6-169.6-175.320.300112.9T394 L398 A399 I400 D449T394-Q396 VanDerWaalsContact C-N 3.27Å; T394-Q396 PolarHBondContact O-N 3.18Å; Q396-L398 VanDerWaalsContact C-N 3.34Å; Q396-L398 PolarHBondContact O-N 2.68Å; Q396-A399 PolarHBondContact O-N 2.9Å; Q396-I400 HydrophobicContact CG-CD1 4.5Å; Q396-I400 WeakPolarHBondContact O-CG1 3.45Å; Q396-I400 PolarHBondContact O-N 3.3Å; Q396-I400 VanDerWaalsContact O-N 3.11Å; Q396-D449 WeakPolarHBondContact CA-OD1 3.45Å; Q396-D449 PolarHBondContact N-OD1 3.22Å
397N94.7Very high93.9Very high56 Ų5640.7 Ų40.730%0.29923%0.225SC..Hα-helixtrans-65.5-36.7177.5-74.7-9.6000112K392 M393 T394 A395 I401K392-N397 PolarHBondContact O-ND2 3.02Å; M393-N397 HydrophobicContact CE-CB 3.65Å; M393-N397 HydrophobicContact SD-CB 4.2Å; T394-N397 PolarHBondContact O-N 2.98Å; T394-N397 VanDerWaalsContact O-N 3.1Å; T394-N397 VanDerWaalsContact OG1-CG 3.25Å; T394-N397 PolarHBondContact OG1-N 2.96Å; T394-N397 PolarHBondContact OG1-ND2 3.47Å; A395-N397 PolarHBondContact O-N 2.88Å; N397-I401 WeakPolarHBondContact O-CD1 3.3Å; N397-I401 WeakPolarHBondContact O-CG1 3.42Å
398L95.7Very high93.6Very high0 Ų041.5 Ų41.50%023%0.225CC..Hα-helixtrans-70.4-41.5174-65.7170.1000111.1F286 L381 V384 A385 M393 T394 A395 Q396 I400 I401 F402 I452F286-L398 HydrophobicContact CB-CD2 4.38Å; F286-L398 HydrophobicContact CD2-CD2 3.95Å; L381-L398 HydrophobicContact CB-CD1 4.35Å; L381-L398 HydrophobicContact CD2-CD1 4.41Å; L381-L398 HydrophobicContact CD2-CD2 4.42Å; L381-L398 WeakPolarHBondContact O-CD1 3.46Å; V384-L398 HydrophobicContact CB-CD1 4.13Å; V384-L398 HydrophobicContact CG1-CD1 4.01Å; V384-L398 HydrophobicContact CG1-CD2 4.24Å; A385-L398 HydrophobicContact CB-CD1 4.1Å; M393-L398 HydrophobicContact CB-CD2 4.13Å; M393-L398 HydrophobicContact CB-CG 4.22Å; M393-L398 HydrophobicContact CE-CD2 3.73Å; M393-L398 HydrophobicContact CE-CG 4.19Å; M393-L398 HydrophobicContact CG-CD2 4.49Å; T394-L398 PolarHBondContact O-N 2.88Å; A395-L398 PolarHBondContact O-N 3.15Å; A395-L398 VanDerWaalsContact O-N 3.12Å; Q396-L398 VanDerWaalsContact C-N 3.34Å; Q396-L398 PolarHBondContact O-N 2.68Å; L398-I400 PolarHBondContact O-N 3.05Å; L398-I401 PolarHBondContact O-N 3.35Å; L398-F402 HydrophobicContact CD2-CE2 4.46Å; L398-F402 WeakPolarHBondContact O-CD2 3.23Å; L398-F402 PolarHBondContact O-N 3.42Å; L398-I452 HydrophobicContact CB-CD1 3.98Å
399A94.8Very high93.1Very high2 Ų238 Ų382%0.01721%0.211CC..Hα-helixtrans-60.2-41.2-179.300000113A395 Q396 I401 F402 G403 G445 I448 D449A395-A399 WeakPolarHBondContact O-CB 3.5Å; A395-A399 PolarHBondContact O-N 2.59Å; Q396-A399 PolarHBondContact O-N 2.9Å; A399-I401 VanDerWaalsContact C-N 3.27Å; A399-I401 PolarHBondContact O-N 3.38Å; A399-F402 PolarHBondContact O-N 3.12Å; A399-G403 PolarHBondContact O-N 3.13Å; A399-G445 WeakPolarHBondContact CB-O 3.45Å; A399-I448 HydrophobicContact CB-CB 3.9Å; A399-I448 HydrophobicContact CB-CG2 4.01Å; A399-D449 HydrophobicContact CB-CB 3.76Å
400I92.7Very high92Very high114 Ų11438.3 Ų38.359%0.58521%0.213SC*.Hα-helixtrans-59.6-38173.5-68163.9000111.6Q396 L398Q396-I400 HydrophobicContact CG-CD1 4.5Å; Q396-I400 WeakPolarHBondContact O-CG1 3.45Å; Q396-I400 PolarHBondContact O-N 3.3Å; Q396-I400 VanDerWaalsContact O-N 3.11Å; L398-I400 PolarHBondContact O-N 3.05Å
401I93.2Very high90.3Very high40 Ų4041.7 Ų41.721%0.20523%0.234CC..Hα-helixtrans-78.4-40.1-178.1-64.4164.9000111.7F286 R287 K324 M393 N397 L398 A399F286-I401 HydrophobicContact CB-CD1 4.38Å; F286-I401 HydrophobicContact CB-CG2 4.33Å; R287-I401 HydrophobicContact CB-CD1 3.89Å; K324-I401 HydrophobicContact CD-CG2 3.66Å; M393-I401 HydrophobicContact CE-CD1 3.44Å; M393-I401 VanDerWaalsContact CE-CD1 3.44Å; N397-I401 WeakPolarHBondContact O-CD1 3.3Å; N397-I401 WeakPolarHBondContact O-CG1 3.42Å; L398-I401 PolarHBondContact O-N 3.35Å; A399-I401 VanDerWaalsContact C-N 3.27Å; A399-I401 PolarHBondContact O-N 3.38Å
402F95Very high88.2Confident0 Ų046.2 Ų46.20%026%0.262CS..Hα-helixtrans-88.7-28.2-173.2-84.2-85.6000114F286 K324 L327 L377 L381 L398 A399 S405 L406 I448F286-F402 HydrophobicContact CB-CE2 4.08Å; F286-F402 AromaticContact CD1-CE2 3.81Å; F286-F402 HydrophobicContact CD1-CE2 3.81Å; F286-F402 AromaticContact CD1-CZ 3.57Å; F286-F402 HydrophobicContact CD1-CZ 3.57Å; F286-F402 HydrophobicContact CD2-CE2 4.03Å; F286-F402 HydrophobicContact CD2-CZ 4.35Å; F286-F402 HydrophobicContact CE1-CE2 4.28Å; F286-F402 AromaticContact CE1-CZ 3.68Å; F286-F402 HydrophobicContact CE1-CZ 3.68Å; F286-F402 HydrophobicContact CE2-CE2 4.48Å; F286-F402 HydrophobicContact CE2-CZ 4.45Å; F286-F402 AromaticContact CG-CE2 3.68Å; F286-F402 HydrophobicContact CG-CE2 3.68Å; F286-F402 AromaticContact CG-CZ 3.93Å; F286-F402 HydrophobicContact CG-CZ 3.93Å; F286-F402 HydrophobicContact CZ-CZ 4.14Å; K324-F402 HydrophobicContact CG-CE1 4.24Å; K324-F402 HydrophobicContact CG-CZ 4.12Å; L327-F402 HydrophobicContact CD1-CD1 4.09Å; L327-F402 HydrophobicContact CD1-CE1 3.72Å; L377-F402 HydrophobicContact CD1-CE1 4.44Å; L381-F402 HydrophobicContact CD1-CD1 4.19Å; L381-F402 HydrophobicContact CD1-CD2 3.89Å; L381-F402 HydrophobicContact CD1-CE1 4.32Å; L381-F402 HydrophobicContact CD1-CE2 4.05Å; L381-F402 HydrophobicContact CD1-CG 3.96Å; L381-F402 HydrophobicContact CD1-CZ 4.26Å; L381-F402 HydrophobicContact CD2-CD2 4.09Å; L381-F402 HydrophobicContact CD2-CE2 3.48Å; L381-F402 VanDerWaalsContact CD2-CE2 3.48Å; L381-F402 HydrophobicContact CD2-CZ 3.72Å; L381-F402 HydrophobicContact CG-CE2 4.43Å; L398-F402 HydrophobicContact CD2-CE2 4.46Å; L398-F402 WeakPolarHBondContact O-CD2 3.23Å; L398-F402 PolarHBondContact O-N 3.42Å; A399-F402 PolarHBondContact O-N 3.12Å; F402-S405 CarbonylContact O-C 3.56Å; F402-S405 WeakPolarHBondContact O-CA 3.39Å; F402-S405 PolarHBondContact O-N 3.22Å; F402-L406 HydrophobicContact CB-CD1 3.84Å; F402-L406 HydrophobicContact CB-CG 4.2Å; F402-L406 HydrophobicContact CD1-CD1 4.26Å; F402-L406 HydrophobicContact CD1-CG 4.33Å; F402-L406 HydrophobicContact CG-CD1 4.45Å; F402-L406 WeakPolarHBondContact O-CG 3.49Å; F402-L406 PolarHBondContact O-N 3.04Å; F402-I448 HydrophobicContact CB-CG2 4.33Å
403G91.9Very high85.6Confident2 Ų247.8 Ų47.82%0.02127%0.274CS..Hα-helixtrans-46.1-57.5179.900000113.8A399 S405 L406 L407A399-G403 PolarHBondContact O-N 3.13Å; G403-S405 PolarHBondContact O-N 3.23Å; G403-L406 PolarHBondContact O-N 3.3Å; G403-L406 VanDerWaalsContact O-N 3.09Å; G403-L407 PolarHBondContact O-N 3.17Å; G403-L407 VanDerWaalsContact O-N 3.15Å
404P89.8Confident82.7Confident73 Ų7354 Ų5447%0.47431%0.308SS..Hα-helixtrans-65-3.9177.8-21.934000115.9
405S91.6Very high80.1Confident10 Ų1061.8 Ų61.87%0.0733%0.331CS..Hα-helixtrans-117.5-2.5177.7-51.50000113.1F402 G403F402-S405 CarbonylContact O-C 3.56Å; F402-S405 WeakPolarHBondContact O-CA 3.39Å; F402-S405 PolarHBondContact O-N 3.22Å; G403-S405 PolarHBondContact O-N 3.23Å
406L94Very high77.1Confident3 Ų366.3 Ų66.32%0.01636%0.362CS..Hα-helixtrans-118-25.9-179-69.4-175.4000113.7L327 P333 L334 L335 L377 F402 G403 I448L327-L406 HydrophobicContact CD1-CD2 4.16Å; L327-L406 HydrophobicContact CD2-CD2 4.17Å; P333-L406 WeakPolarHBondContact CB-O 3.48Å; L334-L406 HydrophobicContact CB-CD2 4.02Å; L334-L406 HydrophobicContact CD2-CD2 4Å; L335-L406 WeakPolarHBondContact CB-O 3.27Å; L335-L406 HydrophobicContact CD1-CB 4.13Å; L335-L406 PolarHBondContact N-O 3.37Å; L335-L406 VanDerWaalsContact N-O 3.14Å; L377-L406 HydrophobicContact CD2-CD1 4.23Å; L377-L406 HydrophobicContact CD2-CD2 3.66Å; F402-L406 HydrophobicContact CB-CD1 3.84Å; F402-L406 HydrophobicContact CB-CG 4.2Å; F402-L406 HydrophobicContact CD1-CD1 4.26Å; F402-L406 HydrophobicContact CD1-CG 4.33Å; F402-L406 HydrophobicContact CG-CD1 4.45Å; F402-L406 WeakPolarHBondContact O-CG 3.49Å; F402-L406 PolarHBondContact O-N 3.04Å; G403-L406 PolarHBondContact O-N 3.3Å; G403-L406 VanDerWaalsContact O-N 3.09Å; L406-I448 HydrophobicContact CB-CD1 4.03Å; L406-I448 HydrophobicContact CD1-CD1 3.82Å; L406-I448 HydrophobicContact CD1-CG1 4.36Å; L406-I448 HydrophobicContact CD1-CG2 4.3Å
407L92.7Very high74.1Confident5 Ų565.3 Ų65.33%0.02636%0.364CS..  trans-149.2131.1175.3-176.161.8000111.2L335 Y340 W343 G403 V444 L447L335-L407 HydrophobicContact CB-CB 4.36Å; L335-L407 HydrophobicContact CB-CD1 4.21Å; L335-L407 HydrophobicContact CD1-CB 4.08Å; Y340-L407 HydrophobicContact CD2-CD1 3.76Å; Y340-L407 HydrophobicContact CD2-CD2 4.11Å; Y340-L407 HydrophobicContact CD2-CG 3.67Å; Y340-L407 HydrophobicContact CE2-CD2 4.38Å; Y340-L407 HydrophobicContact CE2-CG 3.99Å; W343-L407 HydrophobicContact CB-CD2 3.86Å; W343-L407 HydrophobicContact CG-CD2 3.93Å; G403-L407 PolarHBondContact O-N 3.17Å; G403-L407 VanDerWaalsContact O-N 3.15Å; L407-V444 HydrophobicContact CB-CG1 4.04Å; L407-V444 HydrophobicContact CD2-CG2 4.42Å; L407-L447 HydrophobicContact CD2-CD2 3.96Å
408W88.4Confident71Confident67 Ų6767.9 Ų67.925%0.25439%0.385SS..  trans-146.8152171.158.883.1000109.8P333 N337P333-W408 HydrophobicContact CB-CD2 3.84Å; P333-W408 HydrophobicContact CB-CE3 3.71Å; P333-W408 HydrophobicContact CB-CH2 3.9Å; P333-W408 HydrophobicContact CB-CZ2 4.04Å; P333-W408 HydrophobicContact CB-CZ3 3.74Å; P333-W408 VanDerWaalsContact CD-CE2 3.5Å; P333-W408 HydrophobicContact CG-CD2 3.97Å; P333-W408 HydrophobicContact CG-CE3 4.36Å; P333-W408 HydrophobicContact CG-CG 4.31Å; P333-W408 HydrophobicContact CG-CZ2 4.25Å; N337-W408 WeakPolarHBondContact CB-O 3.46Å
409S82.2Confident67.9Low22 Ų2272.5 Ų72.515%0.15442%0.417CS..  trans-72.7149.4177176.40000111.3T411S409-T411 VanDerWaalsContact C-N 3.26Å; S409-T411 PolarHBondContact OG-N 2.69Å; S409-T411 PolarHBondContact OG-OG1 2.88Å
410A72.5Confident64.9Low75 Ų7577.7 Ų77.762%0.6245%0.45SS*.THydrogen-bonded Turntrans-71.3-18.2169.700000113.6
411T57.9Low62.1Low126 Ų12681.6 Ų81.677%0.77346%0.463SS*.THydrogen-bonded Turntrans-88-1.7-172.5590000114.8S409S409-T411 VanDerWaalsContact C-N 3.26Å; S409-T411 PolarHBondContact OG-N 2.69Å; S409-T411 PolarHBondContact OG-OG1 2.88Å
412V50.5Low59Low94 Ų9490.9 Ų90.957%0.5750%0.495SS*.SBendtrans-111.8107.8-176.1-172.30000110.5
413D39.2Very low56.1Low122 Ų12298.9 Ų98.965%0.65254%0.537SS*.  trans59.390.5168.3-53.8-27.8000117.6R415D413-R415 VanDerWaalsContact C-N 3.28Å; D413-R415 WeakPolarHBondContact O-CG 3.38Å; D413-R415 PolarHBondContact O-N 3.16Å
414D33.9Very low53.3Low132 Ų132104.7 Ų104.771%0.70657%0.568SS**  trans18.650.5130.7-156.413.8000119.6S416D414-S416 VanDerWaalsContact C-N 3.25Å
415R41.3Very low51.2Low216 Ų216108.1 Ų108.182%0.81558%0.575SS**  trans-865.7169.4-71.3178.7-164.5179.19.2113.3D413D413-R415 VanDerWaalsContact C-N 3.28Å; D413-R415 WeakPolarHBondContact O-CG 3.38Å; D413-R415 PolarHBondContact O-N 3.16Å
416S31.8Very low49Very low108 Ų108112.2 Ų112.276%0.75560%0.603SS**SBendtrans-87.95.3-174.837.80000115.1D414D414-S416 VanDerWaalsContact C-N 3.25Å
417V32.8Very low46.6Very low104 Ų104116.9 Ų116.963%0.6363%0.632SS**SBendtrans-134113.9-179.3-173.30000112.4
418C29.3Very low44.4Very low110 Ų110122.2 Ų122.274%0.74366%0.661SS**  trans65.8148.6160.2-174.80000116.6
419C30.6Very low42.4Very low98 Ų98125.2 Ų125.266%0.66268%0.676SS**  cis-155.5163.9-13.9-84.70000109K421C419-K421 PolarHBondContact O-N 3.05Å
420P30.7Very low40.5Very low110 Ų110131.7 Ų131.771%0.71470%0.701SS**  trans-73.2118.8168.530-33.6000111.3
421K34.4Very low39.1Very low196 Ų196133.4 Ų133.485%0.85270%0.7SS**  trans171.3154.8144.8-91.2144.2-156.3170.30112.1C419C419-K421 PolarHBondContact O-N 3.05Å
422R28.7Very low38.5Very low235 Ų235133 Ų13389%0.88769%0.692SS**  trans-16.1120.3165.3-56.8171.6-178.6179.3-1.6116.7
423L34.3Very low38.6Very low169 Ų169133.5 Ų133.589%0.88569%0.69SS**  -159.2174.7118.2-127.772.2000109.4
424D33.1Very low38.7Very low124 Ų124131.8 Ų131.866%0.66369%0.687SS**  trans-77.9128.9-164.6-122.5-49.8000114.5S426D424-S426 VanDerWaalsContact C-N 3.32Å; D424-S426 PolarHBondContact O-N 3.17Å
425K44.8Very low39Very low145 Ų145128.9 Ų128.963%0.6368%0.677SS**  trans-84.80.6-179.3-69.4-166.9-179.4-171.60113.7E329 V427E329-K425 IonicContact OE1-NZ 2.64Å; E329-K425 PolarHBondContact OE1-NZ 3.4Å; K425-V427 VanDerWaalsContact C-N 3.28Å; K425-V427 PolarHBondContact O-N 3.1Å
426S45.8Very low39.2Very low95 Ų95124.4 Ų124.466%0.66467%0.674SS**THydrogen-bonded Turntrans-69.4-16.6-168.4-141.90000115.4D424D424-S426 VanDerWaalsContact C-N 3.32Å; D424-S426 PolarHBondContact O-N 3.17Å
427V44.3Very low39.3Very low101 Ų101124.1 Ų124.161%0.61267%0.672SS**THydrogen-bonded Turntrans-88.1-29-174.4-173.30000112.9K425 F429 F430K425-V427 VanDerWaalsContact C-N 3.28Å; K425-V427 PolarHBondContact O-N 3.1Å; V427-F429 PolarHBondContact O-N 3.37Å; V427-F430 PolarHBondContact O-N 2.99Å
428N46.6Very low39.4Very low118 Ų118127.3 Ų127.363%0.63168%0.684SS**Hα-helixtrans-72.9-9.7-173-77.55.3000114.8F430 L432N428-F430 VanDerWaalsContact C-N 3.3Å; N428-L432 PolarHBondContact O-N 3.11Å
429F45.9Very low40.3Very low129 Ų129125.5 Ų125.557%0.56668%0.677SS**Hα-helixtrans-69.3-29.6174.3-172.4-110.4000112.4V427 I433V427-F429 PolarHBondContact O-N 3.37Å; F429-I433 HydrophobicContact CE1-CD1 4.25Å; F429-I433 HydrophobicContact CE2-CD1 4.36Å; F429-I433 HydrophobicContact CZ-CD1 4.11Å; F429-I433 WeakPolarHBondContact O-CD1 3.43Å
430F43Very low41.3Very low159 Ų159123.8 Ų123.870%0.69766%0.664SS**Hα-helixtrans-80.3-46.7-179.6-162-105.3000111.7V427 N428 L432 I433 C434V427-F430 PolarHBondContact O-N 2.99Å; N428-F430 VanDerWaalsContact C-N 3.3Å; F430-L432 PolarHBondContact O-N 3.4Å; F430-I433 PolarHBondContact O-N 3.31Å; F430-C434 PolarHBondContact O-N 2.8Å
431L42.7Very low42.7Very low111 Ų111124.4 Ų124.458%0.58166%0.662SS**Hα-helixtrans-67.1-33.4-175.4-77166.4000114.1I433 C434L431-I433 PolarHBondContact O-N 3.48Å; L431-C434 PolarHBondContact O-N 2.8Å
432L44Very low44.6Very low117 Ų117118.9 Ų118.961%0.61365%0.648SS**Hα-helixtrans-69.2-19.8178-170.661.4000113.2N428 F430 S435N428-L432 PolarHBondContact O-N 3.11Å; F430-L432 PolarHBondContact O-N 3.4Å; L432-S435 PolarHBondContact O-OG 3.12Å
433I53.4Low47.4Very low104 Ų104111.4 Ų111.453%0.53362%0.623SS.*Hα-helixtrans-90.8-21.2178.8-62.5176.9000111.3F429 F430 L431 V436F429-I433 HydrophobicContact CE1-CD1 4.25Å; F429-I433 HydrophobicContact CE2-CD1 4.36Å; F429-I433 HydrophobicContact CZ-CD1 4.11Å; F429-I433 WeakPolarHBondContact O-CD1 3.43Å; F430-I433 PolarHBondContact O-N 3.31Å; L431-I433 PolarHBondContact O-N 3.48Å; I433-V436 WeakPolarHBondContact O-CG2 3.39Å
434C41.1Very low50.1Low86 Ų86103.7 Ų103.758%0.58158%0.583SS**Hα-helixtrans-84.2-17.5178.3-66.70000114.3F430 L431 V436F430-C434 PolarHBondContact O-N 2.8Å; L431-C434 PolarHBondContact O-N 2.8Å; C434-V436 PolarHBondContact O-N 3.48Å
435S40.4Very low52.8Low72 Ų7298.7 Ų98.750%0.50356%0.561SS.*  trans-82.740178.457.20000113.7L432 S437L432-S435 PolarHBondContact O-OG 3.12Å; S435-S437 PolarHBondContact O-N 3.03Å; S435-S437 VanDerWaalsContact O-N 3.14Å
436V45.3Very low55.1Low122 Ų12296.1 Ų96.174%0.73955%0.554SS**  trans-8287.7174.1178.50000108.8I433 C434I433-V436 WeakPolarHBondContact O-CG2 3.39Å; C434-V436 PolarHBondContact O-N 3.48Å
437S33.8Very low57.5Low102 Ų10291.6 Ų91.671%0.71352%0.522SS*.  trans-142.4106.9169.9-78.80000111.4S435S435-S437 PolarHBondContact O-N 3.03Å; S435-S437 VanDerWaalsContact O-N 3.14Å
438L34.7Very low59.9Low170 Ų17086.8 Ų86.889%0.8949%0.493SS*.SBendtrans36.186.3150.1-68.473.1000117.2
439A47.7Very low62.2Low72 Ų7283.2 Ų83.260%0.59547%0.474SS*.SBend163-77.9116.900000112.2N441 S442A439-N441 PolarHBondContact O-N 3.34Å; A439-S442 PolarHBondContact O-N 2.88Å
440P53.5Low64.6Low62 Ų6277.7 Ų77.740%0.40345%0.451SS..Hα-helixtrans-65.5-39.2-165.625.7-36000113.9S442 Q443P440-S442 PolarHBondContact O-N 3.32Å; P440-S442 VanDerWaalsContact O-N 3.08Å; P440-Q443 PolarHBondContact O-N 2.91Å
441N59.4Low67.1Low124 Ų12470.1 Ų70.166%0.66342%0.418SS*.Hα-helixtrans-61.6-23.5-176.1-70.3-18.8000113.6A439 G445A439-N441 PolarHBondContact O-N 3.34Å; N441-G445 PolarHBondContact O-N 3.38Å
442S74.5Confident69.7Low80 Ų8064.8 Ų64.856%0.55939%0.39SS*.Hα-helixtrans-70.4-34.9176.2-165.20000112.4A439 P440 G445 L446A439-S442 PolarHBondContact O-N 2.88Å; P440-S442 PolarHBondContact O-N 3.32Å; P440-S442 VanDerWaalsContact O-N 3.08Å; S442-G445 PolarHBondContact O-N 3Å; S442-L446 WeakPolarHBondContact O-CG 3.14Å; S442-L446 PolarHBondContact O-N 3.31Å
443Q86.8Confident72.2Confident77 Ų7763.3 Ų63.336%0.3639%0.386SS..Hα-helixtrans-71.7-38179.7-69.6178.8-24.700111.6L344 I347 P440 G445 L446 L447L344-Q443 HydrophobicContact CD2-CB 3.71Å; I347-Q443 HydrophobicContact CG2-CB 4.11Å; P440-Q443 PolarHBondContact O-N 2.91Å; Q443-G445 VanDerWaalsContact C-N 3.32Å; Q443-G445 PolarHBondContact O-N 2.94Å; Q443-L446 PolarHBondContact O-N 3.19Å; Q443-L447 PolarHBondContact O-N 3.05Å
444V90.8Very high74.2Confident7 Ų760.3 Ų60.34%0.04237%0.371CS..Hα-helixtrans-62.5-40.3172.4-177.10000111Y340 L344 L407 L447 I448Y340-V444 HydrophobicContact CE2-CG2 4.4Å; L344-V444 HydrophobicContact CD2-CG2 4.23Å; L407-V444 HydrophobicContact CB-CG1 4.04Å; L407-V444 HydrophobicContact CD2-CG2 4.42Å; V444-L447 PolarHBondContact O-N 3.32Å; V444-I448 WeakPolarHBondContact O-CG1 3.2Å; V444-I448 PolarHBondContact O-N 3.2Å; V444-I448 VanDerWaalsContact O-N 3.14Å
445G91.2Very high76.8Confident20 Ų2056.3 Ų56.321%0.20634%0.344CS..Hα-helixtrans-59.6-48.1172.500000112.6A399 N441 S442 Q443 L447 I448 D449A399-G445 WeakPolarHBondContact CB-O 3.45Å; N441-G445 PolarHBondContact O-N 3.38Å; S442-G445 PolarHBondContact O-N 3Å; Q443-G445 VanDerWaalsContact C-N 3.32Å; Q443-G445 PolarHBondContact O-N 2.94Å; G445-L447 VanDerWaalsContact C-N 3.29Å; G445-L447 PolarHBondContact O-N 2.84Å; G445-I448 PolarHBondContact O-N 2.98Å; G445-D449 WeakPolarHBondContact O-CB 3.22Å; G445-D449 PolarHBondContact O-N 3.46Å
446L92.7Very high79.3Confident90 Ų9057.2 Ų57.247%0.47134%0.343SS..Hα-helixtrans-62-34.6176.5-69.7168.8000112.8I347 S442 Q443 C450I347-L446 HydrophobicContact CD1-CB 4.43Å; I347-L446 HydrophobicContact CG1-CB 4.03Å; S442-L446 WeakPolarHBondContact O-CG 3.14Å; S442-L446 PolarHBondContact O-N 3.31Å; Q443-L446 PolarHBondContact O-N 3.19Å; L446-C450 WeakPolarHBondContact O-CB 3.36Å; L446-C450 PolarHBondContact O-N 3.39Å
447L95.1Very high81.7Confident0 Ų055.3 Ų55.30%032%0.323CS..Hα-helixtrans-64-49.6175.2175.965000111.9L335 W343 I347 I359 L407 Q443 V444 G445 D449 C450 L451L335-L447 HydrophobicContact CD1-CD2 4.27Å; W343-L447 HydrophobicContact CB-CD2 3.83Å; W343-L447 HydrophobicContact CD2-CD2 3.94Å; W343-L447 HydrophobicContact CE3-CD1 4.02Å; W343-L447 HydrophobicContact CE3-CD2 3.96Å; W343-L447 HydrophobicContact CG-CD2 3.91Å; I347-L447 HydrophobicContact CD1-CB 4.34Å; I347-L447 HydrophobicContact CD1-CD1 4.45Å; I347-L447 HydrophobicContact CG1-CB 4.27Å; I359-L447 HydrophobicContact CD1-CD1 4.03Å; I359-L447 HydrophobicContact CG1-CD1 4.1Å; I359-L447 HydrophobicContact CG2-CD1 4.22Å; L407-L447 HydrophobicContact CD2-CD2 3.96Å; Q443-L447 PolarHBondContact O-N 3.05Å; V444-L447 PolarHBondContact O-N 3.32Å; G445-L447 VanDerWaalsContact C-N 3.29Å; G445-L447 PolarHBondContact O-N 2.84Å; L447-D449 VanDerWaalsContact C-N 3.35Å; L447-D449 PolarHBondContact O-N 2.85Å; L447-C450 PolarHBondContact O-N 3.31Å; L447-L451 HydrophobicContact CD1-CD1 4.16Å; L447-L451 HydrophobicContact CD1-CG 4.31Å; L447-L451 HydrophobicContact CG-CD1 4.1Å; L447-L451 WeakPolarHBondContact O-CB 3.29Å; L447-L451 WeakPolarHBondContact O-CG 3.38Å; L447-L451 PolarHBondContact O-N 3.49Å
448I95.3Very high84.6Confident0 Ų050.7 Ų50.70%029%0.29CS..Hα-helixtrans-66.3-38.8179.7-55.8-49.4000111.1L335 A399 F402 L406 V444 G445 L451 I452L335-I448 HydrophobicContact CD1-CD1 3.54Å; A399-I448 HydrophobicContact CB-CB 3.9Å; A399-I448 HydrophobicContact CB-CG2 4.01Å; F402-I448 HydrophobicContact CB-CG2 4.33Å; L406-I448 HydrophobicContact CB-CD1 4.03Å; L406-I448 HydrophobicContact CD1-CD1 3.82Å; L406-I448 HydrophobicContact CD1-CG1 4.36Å; L406-I448 HydrophobicContact CD1-CG2 4.3Å; V444-I448 WeakPolarHBondContact O-CG1 3.2Å; V444-I448 PolarHBondContact O-N 3.2Å; V444-I448 VanDerWaalsContact O-N 3.14Å; G445-I448 PolarHBondContact O-N 2.98Å; I448-L451 HydrophobicContact CD1-CD1 4.3Å; I448-L451 PolarHBondContact O-N 2.89Å; I448-I452 HydrophobicContact CG2-CD1 3.78Å; I448-I452 HydrophobicContact CG2-CG1 4.33Å; I448-I452 VanDerWaalsContact O-CG1 3.28Å; I448-I452 WeakPolarHBondContact O-CG1 3.47Å; I448-I452 PolarHBondContact O-N 2.96Å
449D95.5Very high87.4Confident44 Ų4442.6 Ų42.624%0.23525%0.248CC..Hα-helixtrans-63.2-42.3175.1-176.158.9000112A395 Q396 A399 G445 L447 I452 T453A395-D449 WeakPolarHBondContact CB-OD1 3.19Å; Q396-D449 WeakPolarHBondContact CA-OD1 3.45Å; Q396-D449 PolarHBondContact N-OD1 3.22Å; A399-D449 HydrophobicContact CB-CB 3.76Å; G445-D449 WeakPolarHBondContact O-CB 3.22Å; G445-D449 PolarHBondContact O-N 3.46Å; L447-D449 VanDerWaalsContact C-N 3.35Å; L447-D449 PolarHBondContact O-N 2.85Å; D449-I452 PolarHBondContact O-N 3.42Å; D449-T453 WeakPolarHBondContact O-CB 3.3Å; D449-T453 PolarHBondContact O-N 3.03Å; D449-T453 PolarHBondContact O-OG1 3.37Å
450C95.3Very high89.5Confident12 Ų1243.3 Ų43.38%0.08125%0.247CC..Hα-helixtrans-62.9-43.8175.6-173.40000111.9I347 I359 L446 L447 N454I347-C450 HydrophobicContact CD1-CB 3.92Å; I359-C450 HydrophobicContact CD1-CB 4.45Å; L446-C450 WeakPolarHBondContact O-CB 3.36Å; L446-C450 PolarHBondContact O-N 3.39Å; L447-C450 PolarHBondContact O-N 3.31Å; C450-N454 WeakPolarHBondContact O-CB 3.44Å; C450-N454 PolarHBondContact O-N 3.05Å; C450-N454 PolarHBondContact O-ND2 3.04Å
451L96.8Very high91.2Very high0 Ų044.6 Ų44.60%025%0.25CS..Hα-helixtrans-63.7-43.6176.4-74.4169000112.5L335 I359 L363 I378 L447 I448 S455 F458L335-L451 HydrophobicContact CD2-CD1 4.34Å; I359-L451 HydrophobicContact CG2-CD2 3.81Å; L363-L451 HydrophobicContact CD1-CD2 4.17Å; I378-L451 HydrophobicContact CD1-CB 4Å; I378-L451 HydrophobicContact CG1-CB 4.43Å; I378-L451 HydrophobicContact CG2-CB 4.23Å; I378-L451 WeakPolarHBondContact CG2-O 3.35Å; L447-L451 HydrophobicContact CD1-CD1 4.16Å; L447-L451 HydrophobicContact CD1-CG 4.31Å; L447-L451 HydrophobicContact CG-CD1 4.1Å; L447-L451 WeakPolarHBondContact O-CB 3.29Å; L447-L451 WeakPolarHBondContact O-CG 3.38Å; L447-L451 PolarHBondContact O-N 3.49Å; I448-L451 HydrophobicContact CD1-CD1 4.3Å; I448-L451 PolarHBondContact O-N 2.89Å; L451-S455 VanDerWaalsContact O-CA 3.23Å; L451-S455 WeakPolarHBondContact O-CA 3.26Å; L451-S455 WeakPolarHBondContact O-CB 3.01Å; L451-S455 PolarHBondContact O-N 3.48Å; L451-S455 VanDerWaalsContact O-N 3.11Å; L451-F458 HydrophobicContact CD2-CD2 3.89Å; L451-F458 HydrophobicContact CD2-CE2 3.9Å; L451-F458 HydrophobicContact CD2-CG 4.32Å; L451-F458 HydrophobicContact CD2-CZ 4.36Å
452I96.6Very high92.6Very high0 Ų045 Ų450%025%0.252CS..Hα-helixtrans-66.4-51.4178-67.6169.4000110.3I378 L381 C382 A385 A395 L398 I448 D449 N454 S455I378-I452 HydrophobicContact CD1-CG1 4.2Å; L381-I452 HydrophobicContact CB-CD1 3.93Å; L381-I452 HydrophobicContact CB-CG1 4Å; L381-I452 HydrophobicContact CD1-CD1 4.1Å; C382-I452 HydrophobicContact CB-CG2 4.35Å; C382-I452 PolarHBondContact SG-O 3.37Å; A385-I452 HydrophobicContact CB-CG2 4.1Å; A395-I452 HydrophobicContact CB-CB 4.13Å; A395-I452 HydrophobicContact CB-CG2 3.61Å; L398-I452 HydrophobicContact CB-CD1 3.98Å; I448-I452 HydrophobicContact CG2-CD1 3.78Å; I448-I452 HydrophobicContact CG2-CG1 4.33Å; I448-I452 VanDerWaalsContact O-CG1 3.28Å; I448-I452 WeakPolarHBondContact O-CG1 3.47Å; I448-I452 PolarHBondContact O-N 2.96Å; D449-I452 PolarHBondContact O-N 3.42Å; I452-N454 PolarHBondContact O-N 3.07Å; I452-S455 VanDerWaalsContact O-CB 3.3Å; I452-S455 WeakPolarHBondContact O-CB 3.27Å; I452-S455 PolarHBondContact O-N 3.03Å; I452-S455 PolarHBondContact O-OG 3.4Å
453T96.4Very high93.3Very high86 Ų8642.6 Ų42.653%0.52823%0.233SC..Hα-helixtrans-65.7-38-175.1-60.90000112.4A395 D449A395-T453 WeakPolarHBondContact CB-OG1 3.21Å; D449-T453 WeakPolarHBondContact O-CB 3.3Å; D449-T453 PolarHBondContact O-N 3.03Å; D449-T453 PolarHBondContact O-OG1 3.37Å
454N95.8Very high93.4Very high41 Ų4146.9 Ų46.922%0.21925%0.253CS..THydrogen-bonded Turntrans-102.823.8180-54.5-89.2000112.2L356 C450 I452 N456 Y457 F458L356-N454 HydrophobicContact CD2-CB 3.83Å; C450-N454 WeakPolarHBondContact O-CB 3.44Å; C450-N454 PolarHBondContact O-N 3.05Å; C450-N454 PolarHBondContact O-ND2 3.04Å; I452-N454 PolarHBondContact O-N 3.07Å; N454-N456 VanDerWaalsContact C-N 3.25Å; N454-N456 PolarHBondContact O-N 2.95Å; N454-N456 VanDerWaalsContact O-N 3.15Å; N454-Y457 WeakPolarHBondContact O-CB 3.16Å; N454-Y457 PolarHBondContact O-N 3.46Å; N454-F458 HydrophobicContact CB-CD2 4.21Å; N454-F458 HydrophobicContact CB-CE2 3.85Å; N454-F458 WeakPolarHBondContact O-CD2 3.47Å; N454-F458 PolarHBondContact O-N 3.1Å
455S95Very high93.3Very high2 Ų247.6 Ų47.61%0.01426%0.255CS..Hα-helixtrans-54.4-36.3-174510000114C382 L451 I452 Y457 F458 F459C382-S455 VanDerWaalsContact CB-OG 3.29Å; C382-S455 WeakPolarHBondContact CB-OG 3.38Å; C382-S455 PolarHBondContact SG-OG 2.9Å; L451-S455 VanDerWaalsContact O-CA 3.23Å; L451-S455 WeakPolarHBondContact O-CA 3.26Å; L451-S455 WeakPolarHBondContact O-CB 3.01Å; L451-S455 PolarHBondContact O-N 3.48Å; L451-S455 VanDerWaalsContact O-N 3.11Å; I452-S455 VanDerWaalsContact O-CB 3.3Å; I452-S455 WeakPolarHBondContact O-CB 3.27Å; I452-S455 PolarHBondContact O-N 3.03Å; I452-S455 PolarHBondContact O-OG 3.4Å; S455-Y457 VanDerWaalsContact C-N 3.33Å; S455-Y457 PolarHBondContact O-N 2.86Å; S455-F458 PolarHBondContact O-N 3.07Å; S455-F459 WeakPolarHBondContact O-CA 3.1Å; S455-F459 WeakPolarHBondContact O-CB 3.39Å; S455-F459 PolarHBondContact O-N 3.06Å
456N93.9Very high92.9Very high91 Ų9151.1 Ų51.149%0.48727%0.273SS..Hα-helixtrans-72.7-18.5176.3-71-10.9000114.2K379 N454 P460K379-N456 PolarHBondContact NZ-OD1 2.98Å; N454-N456 VanDerWaalsContact C-N 3.25Å; N454-N456 PolarHBondContact O-N 2.95Å; N454-N456 VanDerWaalsContact O-N 3.15Å; N456-P460 WeakPolarHBondContact O-CA 3.13Å
457Y94.4Very high92Very high82 Ų8247.3 Ų47.332%0.32225%0.254SS..Hα-helixtrans-80.4-39.3172.4168.9-86.8000111.2L356 N357 K360 N454 S455L356-Y457 HydrophobicContact CB-CD1 4.2Å; L356-Y457 HydrophobicContact CB-CE1 3.73Å; L356-Y457 HydrophobicContact CD1-CD1 4.48Å; L356-Y457 HydrophobicContact CD2-CD1 4.47Å; N357-Y457 PolarHBondContact OD1-OH 3.21Å; K360-Y457 HydrophobicContact CD-CE1 4.46Å; N454-Y457 WeakPolarHBondContact O-CB 3.16Å; N454-Y457 PolarHBondContact O-N 3.46Å; S455-Y457 VanDerWaalsContact C-N 3.33Å; S455-Y457 PolarHBondContact O-N 2.86Å
458F94.5Very high90.8Very high5 Ų552.4 Ų52.42%0.02229%0.287CS..Hα-helixtrans-76.9-38.9177-63.6-62000112.5L356 I359 K360 L363 L451 N454 S455L356-F458 HydrophobicContact CD2-CE1 4.39Å; L356-F458 HydrophobicContact CD2-CE2 3.93Å; L356-F458 HydrophobicContact CD2-CZ 3.51Å; L356-F458 WeakPolarHBondContact O-CE1 3.3Å; I359-F458 HydrophobicContact CB-CE1 3.84Å; I359-F458 HydrophobicContact CB-CZ 3.87Å; I359-F458 HydrophobicContact CD1-CZ 4.35Å; I359-F458 HydrophobicContact CG2-CD1 4.37Å; I359-F458 HydrophobicContact CG2-CE1 3.52Å; I359-F458 HydrophobicContact CG2-CE2 4.32Å; I359-F458 HydrophobicContact CG2-CZ 3.48Å; I359-F458 VanDerWaalsContact CG2-CZ 3.48Å; K360-F458 HydrophobicContact CB-CD1 4.28Å; K360-F458 HydrophobicContact CB-CE1 4.26Å; L363-F458 HydrophobicContact CD1-CB 4.04Å; L363-F458 HydrophobicContact CD1-CD1 3.68Å; L363-F458 HydrophobicContact CD1-CE1 4.37Å; L363-F458 HydrophobicContact CD1-CG 3.99Å; L451-F458 HydrophobicContact CD2-CD2 3.89Å; L451-F458 HydrophobicContact CD2-CE2 3.9Å; L451-F458 HydrophobicContact CD2-CG 4.32Å; L451-F458 HydrophobicContact CD2-CZ 4.36Å; N454-F458 HydrophobicContact CB-CD2 4.21Å; N454-F458 HydrophobicContact CB-CE2 3.85Å; N454-F458 WeakPolarHBondContact O-CD2 3.47Å; N454-F458 PolarHBondContact O-N 3.1Å; S455-F458 PolarHBondContact O-N 3.07Å
459F94.6Very high89.6Confident0 Ų056 Ų560%031%0.306CS..  trans-131.489-175.3-45.3-63.3000108.4L363 Y371 I374 R375 I378 K379 S455L363-F459 HydrophobicContact CD1-CE1 4.31Å; L363-F459 HydrophobicContact CD1-CZ 4.03Å; L363-F459 HydrophobicContact CD2-CZ 4.18Å; Y371-F459 HydrophobicContact CD2-CE1 4.46Å; Y371-F459 HydrophobicContact CE2-CD1 4.4Å; Y371-F459 AromaticContact CE2-CE1 3.74Å; Y371-F459 HydrophobicContact CE2-CE1 3.74Å; Y371-F459 AromaticContact CZ-CE1 3.86Å; I374-F459 HydrophobicContact CG2-CZ 4.07Å; R375-F459 HydrophobicContact CB-CD1 3.62Å; R375-F459 HydrophobicContact CB-CD2 4.49Å; R375-F459 HydrophobicContact CB-CE1 3.73Å; R375-F459 HydrophobicContact CB-CG 4.03Å; R375-F459 HydrophobicContact CB-CZ 4.24Å; R375-F459 HydrophobicContact CG-CB 3.97Å; R375-F459 HydrophobicContact CG-CD1 3.68Å; R375-F459 HydrophobicContact CG-CE1 4.32Å; R375-F459 HydrophobicContact CG-CG 3.79Å; I378-F459 HydrophobicContact CB-CD2 4.48Å; I378-F459 HydrophobicContact CB-CE2 3.96Å; I378-F459 HydrophobicContact CG1-CE2 4.45Å; I378-F459 HydrophobicContact CG2-CD2 4.26Å; I378-F459 HydrophobicContact CG2-CE2 3.9Å; K379-F459 WeakPolarHBondContact CE-O 3.49Å; K379-F459 HydrophobicContact CG-CB 4.48Å; K379-F459 PolarHBondContact NZ-O 3.49Å; K379-F459 VanDerWaalsContact NZ-O 3.13Å; S455-F459 WeakPolarHBondContact O-CA 3.1Å; S455-F459 WeakPolarHBondContact O-CB 3.39Å; S455-F459 PolarHBondContact O-N 3.06Å
460P91.2Very high88.2Confident87 Ų8754.7 Ų54.757%0.56530%0.298SS*.  trans-66.7-54.3-173.523.7-30.7000111.6K379 N456K379-P460 PolarHBondContact NZ-O 3.26Å; K379-P460 VanDerWaalsContact NZ-O 3.12Å; N456-P460 WeakPolarHBondContact O-CA 3.13Å
461D89.7Confident86.2Confident89 Ų8958.2 Ų58.248%0.47632%0.324SS..SBendtrans-57.1138.9179.225.1-93.4000113.7R375 K379R375-D461 IonicContact CZ-OD2 3.25Å; R375-D461 IonicContact NE-OD2 3.57Å; R375-D461 PolarHBondContact NE-OD2 3.08Å; R375-D461 PolarHBondContact NH2-O 2.75Å; R375-D461 IonicContact NH2-OD2 3.76Å; R375-D461 PolarHBondContact NH2-OD2 2.99Å; K379-D461 WeakPolarHBondContact CE-O 3.44Å; K379-D461 PolarHBondContact NZ-O 2.89Å
462D87.9Confident84Confident132 Ų13262.3 Ų62.371%0.70635%0.352SS*.  trans-80.1168.6-177.9-73-41.1000113.7R375 K379R375-D462 PolarHBondContact NH2-O 3.16Å; K379-D462 IonicContact NZ-OD1 3.53Å; K379-D462 PolarHBondContact NZ-OD1 2.84Å
463I89.9Confident81.7Confident30 Ų3063.5 Ų63.515%0.15436%0.358CS..  trans-135.8123.3-176.4-55-176.4000108.5R375 Y376 K379 F465R375-I463 HydrophobicContact CG-CD1 3.96Å; Y376-I463 HydrophobicContact CD2-CD1 4.33Å; Y376-I463 HydrophobicContact CD2-CG2 3.7Å; Y376-I463 HydrophobicContact CE2-CG2 3.68Å; K379-I463 HydrophobicContact CB-CD1 3.84Å; K379-I463 HydrophobicContact CB-CG1 4.39Å; K379-I463 HydrophobicContact CG-CD1 3.88Å; K379-I463 HydrophobicContact CG-CG1 4.27Å; I463-F465 HydrophobicContact CB-CE1 4.31Å; I463-F465 HydrophobicContact CB-CE2 4.19Å; I463-F465 HydrophobicContact CB-CZ 3.87Å; I463-F465 HydrophobicContact CG2-CD1 4.13Å; I463-F465 HydrophobicContact CG2-CE1 3.67Å; I463-F465 HydrophobicContact CG2-CE2 4.29Å; I463-F465 HydrophobicContact CG2-CZ 3.76Å
464Q88.3Confident79.2Confident166 Ų16665.1 Ų65.178%0.77636%0.359SS*.  trans-83.1121166.2-63.1-174.46.200108.3T466Q464-T466 PolarHBondContact O-N 3.43Å; Q464-T466 VanDerWaalsContact O-N 3.1Å
465F89.3Confident76.3Confident22 Ų2266.4 Ų66.410%0.09638%0.382CS..  trans-87.669.9177.7-64.6-73.2000109.6C272 A273 T276 Y376 K379 F380 K383 I463C272-F465 HydrophobicContact CB-CD1 4.04Å; A273-F465 WeakPolarHBondContact CA-O 3.41Å; A273-F465 HydrophobicContact CB-CB 4.49Å; A273-F465 WeakPolarHBondContact CB-O 3.44Å; T276-F465 HydrophobicContact CG2-CB 4.11Å; T276-F465 VanDerWaalsContact OG1-CB 3.3Å; T276-F465 WeakPolarHBondContact OG1-CB 3.43Å; Y376-F465 HydrophobicContact CD1-CE1 4.11Å; Y376-F465 HydrophobicContact CD2-CE1 4.08Å; Y376-F465 AromaticContact CE1-CD1 3.91Å; Y376-F465 HydrophobicContact CE1-CD1 3.91Å; Y376-F465 AromaticContact CE1-CE1 3.93Å; Y376-F465 HydrophobicContact CE1-CE1 3.93Å; Y376-F465 AromaticContact CE2-CD1 3.93Å; Y376-F465 HydrophobicContact CE2-CD1 3.93Å; Y376-F465 AromaticContact CE2-CE1 3.9Å; Y376-F465 HydrophobicContact CE2-CE1 3.9Å; Y376-F465 HydrophobicContact CG-CE1 4.19Å; Y376-F465 AromaticContact CZ-CD1 3.56Å; Y376-F465 AromaticContact CZ-CE1 3.83Å; Y376-F465 WeakPolarHBondContact O-CE1 3.42Å; K379-F465 HydrophobicContact CB-CZ 3.95Å; F380-F465 HydrophobicContact CB-CD1 4.28Å; F380-F465 HydrophobicContact CB-CE1 3.66Å; F380-F465 HydrophobicContact CB-CE2 4.28Å; F380-F465 HydrophobicContact CB-CZ 3.66Å; F380-F465 HydrophobicContact CD2-CD1 4.44Å; F380-F465 HydrophobicContact CD2-CG 4.47Å; K383-F465 HydrophobicContact CD-CD2 4.39Å; I463-F465 HydrophobicContact CB-CE1 4.31Å; I463-F465 HydrophobicContact CB-CE2 4.19Å; I463-F465 HydrophobicContact CB-CZ 3.87Å; I463-F465 HydrophobicContact CG2-CD1 4.13Å; I463-F465 HydrophobicContact CG2-CE1 3.67Å; I463-F465 HydrophobicContact CG2-CE2 4.29Å; I463-F465 HydrophobicContact CG2-CZ 3.76Å
466T82.4Confident73.4Confident95 Ų9577.6 Ų77.658%0.58342%0.424SS*.  trans-114155174.148.40000109.5Q464Q464-T466 PolarHBondContact O-N 3.43Å; Q464-T466 VanDerWaalsContact O-N 3.1Å
467S75.4Confident70.3Confident10 Ų1080.8 Ų80.87%0.0744%0.441CS..  trans-148.7136.9168.3-175.80000108.7E269 L469 I470E269-S467 WeakPolarHBondContact OE1-CB 3.34Å; E269-S467 PolarHBondContact OE1-OG 3.08Å; S467-L469 PolarHBondContact O-N 2.91Å; S467-I470 WeakPolarHBondContact O-CB 3.43Å; S467-I470 PolarHBondContact O-N 3Å
468P69.5Low67.2Low107 Ų10781.8 Ų81.870%0.69546%0.46SS*.G310 helixtrans-56.8-24.5177.6-26.335.5000113.8I470 S471P468-I470 PolarHBondContact O-N 3.49Å; P468-S471 PolarHBondContact O-N 3.48Å; P468-S471 PolarHBondContact O-OG 3.45Å
469L68.5Low64.3Low75 Ų7587.4 Ų87.439%0.39350%0.5SS..G310 helixtrans-75.2-0.8179.8-57.7175.6000114L266 V270 L307 S467L266-L469 HydrophobicContact CD1-CD1 3.51Å; V270-L469 HydrophobicContact CG2-CB 4.37Å; V270-L469 HydrophobicContact CG2-CD1 3.89Å; L307-L469 HydrophobicContact CD2-CB 4.44Å; L307-L469 HydrophobicContact CD2-CD1 4.43Å; S467-L469 PolarHBondContact O-N 2.91Å
470I67.6Low61.2Low16 Ų1690.9 Ų90.98%0.08254%0.536CS..G310 helixtrans-97.8-7.9178.7-81.9163.4000112.9A273 A274 L309 S467 P468 S472 L473A273-I470 HydrophobicContact CB-CD1 3.25Å; A274-I470 HydrophobicContact CB-CD1 4.05Å; A274-I470 VanDerWaalsContact N-CD1 3.28Å; L309-I470 HydrophobicContact CD1-CG1 3.91Å; S467-I470 WeakPolarHBondContact O-CB 3.43Å; S467-I470 PolarHBondContact O-N 3Å; P468-I470 PolarHBondContact O-N 3.49Å; I470-S472 PolarHBondContact O-N 3.1Å; I470-L473 HydrophobicContact CG2-CD1 4.23Å; I470-L473 PolarHBondContact O-N 3.23Å
471S52.5Low58.5Low87 Ų8792.9 Ų92.961%0.60855%0.546SS*.THydrogen-bonded Turntrans-52.8-19.8-177-50.60000115.1P468P468-S471 PolarHBondContact O-N 3.48Å; P468-S471 PolarHBondContact O-OG 3.45Å
472S51.2Low55.7Low86 Ų8696 Ų9660%0.60156%0.563SS**THydrogen-bonded Turntrans-74.5-16.5174.4-49.40000115.3I470I470-S472 PolarHBondContact O-N 3.1Å
473L48.1Very low53Low24 Ų2495.3 Ų95.313%0.12657%0.569CS.*SBendtrans-81.5-24.2-177.1-75.2173.6000113.7L309 E313 I470L309-L473 HydrophobicContact CB-CD1 4.42Å; L309-L473 HydrophobicContact CB-CG 4.48Å; L309-L473 HydrophobicContact CD1-CD1 4.4Å; E313-L473 HydrophobicContact CB-CD2 3.99Å; E313-L473 HydrophobicContact CG-CD2 4.21Å; I470-L473 HydrophobicContact CG2-CD1 4.23Å; I470-L473 PolarHBondContact O-N 3.23Å
474H43.6Very low50.2Low120 Ų120100.4 Ų100.456%0.55660%0.596SS**SBendtrans-101.77.2-177.2-5795.3000114.1D277 R476D277-H474 VanDerWaalsContact CG-NE2 3.27Å; D277-H474 IonicContact OD1-CE1 3.84Å; D277-H474 IonicContact OD1-NE2 2.82Å; D277-H474 PolarHBondContact OD1-NE2 3.43Å; D277-H474 IonicContact OD2-CE1 3.05Å; D277-H474 PolarHBondContact OD2-CE1 2.93Å; D277-H474 IonicContact OD2-NE2 2.64Å; D277-H474 PolarHBondContact OD2-NE2 2.88Å; H474-R476 PolarHBondContact O-N 2.84Å
475G35.2Very low47.5Very low68 Ų6897.9 Ų97.970%0.70160%0.597SS**THydrogen-bonded Turntrans-96.942-164.400000117
476R33.5Very low44.9Very low237 Ų237106.7 Ų106.789%0.89463%0.631SS**THydrogen-bonded Turntrans-1292-177-131.2177.7-166.2149.68.9118.5H474H474-R476 PolarHBondContact O-N 2.84Å
477D30.2Very low42.4Very low158 Ų158110.7 Ų110.785%0.84564%0.644SS**SBendtrans-95.8114.6169.6-88.2-45.8000112.1
478S29.3Very low40.4Very low103 Ų103116.8 Ų116.872%0.7267%0.674SS**SBendtrans47.8111.9151.7-57.60000120.7
479S32.9Very low38.5Very low123 Ų123118.2 Ų118.286%0.8668%0.682SS**  trans65.398152.359.70000120.4
480G29.5Very low36.7Very low73 Ų73123 Ų12375%0.75370%0.702SS**  102.9153.2120.500000119.3
481V34.1Very low34.9Very low129 Ų129128 Ų12878%0.78274%0.735SS**  trans77.8107.6163.6-169.20000117.2
482D31.1Very low33.8Very low154 Ų154130.3 Ų130.382%0.82475%0.745SS**  trans62.5153.5148-54.8-14.6000121.8
483S30.2Very low32.9Very low119 Ų119133.7 Ų133.783%0.83276%0.757SS**  trans-115.9127.3-175.4-58.50000109.8
484D31.3Very low32Very low136 Ų136137.6 Ų137.673%0.72778%0.784SS**  trans-128.5131.8162.7-90.6-45.2000109.5Y486D484-Y486 HydrophobicContact CB-CE1 3.95Å
485S32Very low31.3Very low114 Ų114138 Ų13880%0.79780%0.799SS**  trans-101.2111.8177.753.60000110E487S485-E487 PolarHBondContact O-N 3.38Å
486Y34.1Very low31.3Very low206 Ų206139.2 Ų139.281%0.80880%0.802SS**  trans-78.1116.2-174.8-48.5-57.5000112.5D484D484-Y486 HydrophobicContact CB-CE1 3.95Å
487E30Very low31Very low180 Ų180135.3 Ų135.384%0.84180%0.799SS**  trans-68152.6170.4-65.7-176.4113.600112.1S485 T489S485-E487 PolarHBondContact O-N 3.38Å; E487-T489 PolarHBondContact O-N 3.49Å
488L33.2Very low31.2Very low137 Ų137137.3 Ų137.372%0.71780%0.803SS**  trans-79.9110.3160.2-81.3163.6000108E490L488-E490 PolarHBondContact O-N 3.37Å
489T30Very low31.2Very low138 Ų138141 Ų14185%0.84781%0.809SS**PPolyproline II helixtrans-61.4120.3-173.621.90000113.3E487E487-T489 PolarHBondContact O-N 3.49Å
490E31.8Very low31.2Very low175 Ų175141.7 Ų141.782%0.81881%0.808SS**PPolyproline II helixtrans-77.1153.7169.3-72.9-142.8141.200112.3L488 V492L488-E490 PolarHBondContact O-N 3.37Å; E490-V492 PolarHBondContact O-N 2.92Å
491P29.4Very low31.2Very low121 Ų121143.2 Ų143.279%0.78681%0.807SS**PPolyproline II helixtrans-71.9119.7173.329.6-33.8000111.3N493P491-N493 PolarHBondContact O-N 3.04Å
492V29.2Very low31.3Very low135 Ų135141.2 Ų141.282%0.81880%0.799SS**PPolyproline II helixtrans-58.9128.9-179.6178.70000111.9E490E490-V492 PolarHBondContact O-N 2.92Å
493N31.6Very low31.4Very low157 Ų157139.8 Ų139.884%0.8480%0.796SS**  trans-110111.1167.6-170.328.5000109.2P491P491-N493 PolarHBondContact O-N 3.04Å
494P29Very low31.5Very low107 Ų107142.7 Ų142.770%0.69580%0.797SS**  trans-87.8128-166.832.5-34.1000113.2
495C29.5Very low31.7Very low128 Ų128142 Ų14287%0.86580%0.803SS**  trans-156.5129160.5-157.10000113.3
496A34.6Very low31.8Very low93 Ų93141.4 Ų141.477%0.76980%0.804SS**  trans54.1102.6162.500000119.3
497N27.4Very low31.6Very low156 Ų156135 Ų13583%0.83480%0.801SS**  trans-74.2148.1148.8-57.8-7.7000109.3
498E35.2Very low31.9Very low200 Ų200135.7 Ų135.794%0.93580%0.804SS**  -156.5146.7127.3-120.5173.6-14800109.7
499E29.5Very low31.7Very low179 Ų179139 Ų13984%0.83681%0.813SS**  trans-105.6141.4-166.6-58.1179.8133.600112.3
500T31.9Very low31.8Very low139 Ų139138.1 Ų138.185%0.85381%0.809SS**  trans-161.3115.3138.3-1.90000113.6
501S30.8Very low31.9Very low104 Ų104135.5 Ų135.573%0.72781%0.809SS**  19.4134.1122.7-153.10000117.6
502S36.1Very low32.2Very low87 Ų87136 Ų13661%0.60881%0.812SS**  cis-178.6159.48.830.90000111.8
503T32.1Very low32.3Very low125 Ų125134 Ų13477%0.76781%0.81SS**  trans62.3152.2154.647.40000117.3
504E33Very low32.4Very low180 Ų180131.6 Ų131.684%0.84181%0.805SS**  cis-156.11667.1-139.8171.3-14900111
505S36.3Very low32.8Very low122 Ų122132.6 Ų132.685%0.85381%0.81SS**  trans132.1143.7152.2-166.70000114.2
506A33.3Very low32.9Very low101 Ų101131.7 Ų131.784%0.83581%0.805SS**  trans-138.5152.3-175.900000111.4
507G30.4Very low33Very low71 Ų71132.3 Ų132.373%0.73281%0.81SS**  trans171.1104169.600000118.9
508Q34.8Very low33.4Very low194 Ų194130.7 Ų130.791%0.90781%0.811SS**  trans66.387.3137.4-56.9-175.60.200121
509K30.6Very low33.2Very low208 Ų208132.4 Ų132.490%0.90481%0.809SS**  40156.8116.7-77.4-166.6171.9-174.70123.3
510P31.6Very low33.5Very low119 Ų119129.5 Ų129.577%0.77381%0.805SS**  trans-118.2-163.1-156.742-26.7000116.3
511C33Very low33.6Very low119 Ų119126.9 Ų126.980%0.80480%0.798SS**  trans-46.8170.4-171-47.50000119.4
512P36Very low33.7Very low131 Ų131128 Ų12885%0.85181%0.806SS**  -141-177.8113.440.2-28.3000116.2
513A32.6Very low33.7Very low95 Ų95127.7 Ų127.779%0.78582%0.816SS**  trans-75.6-174.3176.600000112.9
514S33.9Very low33.7Very low105 Ų105131.6 Ų131.673%0.73482%0.822SS**  cis-151.5-170.119.451.70000109.7
515T35.3Very low33.7Very low129 Ų129133 Ų13379%0.79183%0.826SS**  cis-166171.139.8-33.60000111.6
516S33.7Very low33.9Very low109 Ų109136.1 Ų136.176%0.76283%0.829SS**  trans-85.4156.5-177.8570000116.8
517A35.6Very low33.9Very low106 Ų106140.8 Ų140.888%0.87683%0.83SS**  trans-166.8157.5141.100000115.9
518S35.6Very low34.6Very low122 Ų122142.8 Ų142.885%0.85383%0.83SS**  trans-69.1163.6-165.3-49.30000121.3
519R31.3Very low34.9Very low235 Ų235139.7 Ų139.789%0.88783%0.827SS**  trans-51.2169.7155.4-99.7-179.3172.7-164.80.4113.9
520P36.5Very low35.4Very low118 Ų118134.1 Ų134.177%0.76682%0.82SS**  cis-153.7169.240.144.3-23000121.9
521A33.4Very low36.4Very low84 Ų84134.2 Ų134.269%0.69482%0.821SS**  trans64.1127.6137.700000126
522S33.8Very low37.2Very low129 Ų129134.2 Ų134.290%0.90282%0.819SS**  trans87.7141.6142.482.80000120.4
523G35.4Very low37.4Very low79 Ų79133.2 Ų133.281%0.81481%0.813SS**  trans147.586.518000000113.6
524K31.5Very low38.4Very low207 Ų207135 Ų13590%0.982%0.816SS**  trans-86.1135.9177.5-64.6177-179.4174.90111.5
525K33.4Very low38.8Very low211 Ų211136.5 Ų136.592%0.91782%0.821SS**  trans-160.8171.2145.3-113.2162.6-173178.40112.6
526M39.9Very low38.6Very low186 Ų186138.1 Ų138.192%0.91683%0.825SS**  trans-97.7168.4-150.9-69.8148.36300115.4
527K33.1Very low38.6Very low200 Ų200141.7 Ų141.787%0.8783%0.829SS**  trans-107.5135.9-175.9-164-178.6-171-1790110
528P46.6Very low38.7Very low112 Ų112142.3 Ų142.373%0.72783%0.827SS**PPolyproline II helixtrans-77.7157.8173.931.7-34.1000112.4
529P39.3Very low38.6Very low130 Ų130140.8 Ų140.884%0.84482%0.822SS**PPolyproline II helixtrans-85.9172.1-176.935.7-36.6000113.9
530A41.3Very low38.9Very low91 Ų91136.2 Ų136.275%0.75282%0.823SS**PPolyproline II helixtrans-100.4153.9175.300000111.9
531P52.4Low38.7Very low121 Ų121136.1 Ų136.179%0.78683%0.825SS**PPolyproline II helixtrans-79157.6-177.932.3-36.2000114
532P51.1Low38.7Very low118 Ų118139.4 Ų139.477%0.76684%0.836SS**PPolyproline II helixtrans-84.7165.4179.835.6-36.6000113.8
533P40.8Very low38.8Very low111 Ų111136.2 Ų136.272%0.72182%0.824SS**PPolyproline II helixtrans-81.7156.3172.934.9-35.5000112.9
534P51.9Low38.5Very low131 Ų131139.8 Ų139.885%0.85182%0.823SS**PPolyproline II helixtrans-79.4159.6174.433.8-35.4000112.9
535T42.6Very low38.6Very low137 Ų137135.8 Ų135.884%0.8482%0.818SS**  trans-116.6147.6-179.446.90000112
536D30.9Very low38.5Very low164 Ų164133.1 Ų133.188%0.87781%0.813SS**  trans-73.2142.3169.8-65.4-62.1000112
537E35.2Very low38.2Very low183 Ų183132.5 Ų132.586%0.85581%0.808SS**  trans-158.7127.3150.9-143.5171.5-153.100115.6
538S36.4Very low38.2Very low119 Ų119131.4 Ų131.483%0.83281%0.806SS**  trans66.6153.2153.274.20000121.8
539A34.5Very low37.5Very low91 Ų91135 Ų13575%0.75281%0.81SS**  trans-139.7171.4176.400000110.2
540P36.6Very low37.2Very low138 Ų138137.7 Ų137.790%0.89681%0.814SS**  trans-135.4-171142.736.2-21.7000114
541S32.2Very low36.8Very low116 Ų116138.3 Ų138.381%0.81182%0.819SS**  trans-123.6162.5-148.755.10000117.3
542V34.8Very low35.8Very low153 Ų153136.4 Ų136.493%0.92782%0.821SS**  trans-179.4147.8148137.80000106.7
543G34.1Very low34.6Very low63 Ų63141.8 Ų141.865%0.64983%0.826SS**  cis-164.2-164.7-1.700000110.3
544I29.4Very low34.1Very low154 Ų154141.8 Ų141.879%0.7983%0.827SS**  trans-147.5145.8-175.9-29.8176.8000109.9
545P34.7Very low32.9Very low123 Ų123142.3 Ų142.380%0.79982%0.822SS**  -145.3-160101.633-12.7000112.5
546L31.6Very low32.4Very low155 Ų155145.4 Ų145.481%0.81282%0.824SS**  -159.8-169.6-82.5-125169.7000109.4
547E33.1Very low32.1Very low173 Ų173144 Ų14481%0.80882%0.817SS**  trans70150.8176-56.5-166.2126.700116.4
548E32.8Very low31.9Very low176 Ų176142.1 Ų142.182%0.82281%0.813SS**  cis-138.6-163.95.1-143-169.9160.400113.4
549K31.2Very low31.5Very low189 Ų189140.5 Ų140.582%0.82280%0.802SS**  trans-117154.3-164.3-64.8164.7179.41580114.7
550M33.7Very low31.4Very low186 Ų186141.9 Ų141.992%0.91681%0.806SS**  trans155.9124.9132.5-84.9-176.8-165.200109.2
551A32.2Very low31Very low104 Ų104140.3 Ų140.386%0.8680%0.798SS**  92107.550.300000113.5
552G31.9Very low30.9Very low81 Ų81140.2 Ų140.284%0.83580%0.797SS**  trans-169.4144.2175.300000110.6
553R26.8Very low30.6Very low231 Ų231138 Ų13887%0.87279%0.788SS**  trans-145.2176.6-164-147.8-174.2-170.1-162.15.3112.6
554C29.7Very low30.3Very low111 Ų111140.2 Ų140.275%0.7579%0.794SS**  trans96.9117.4178.4-58.20000113.6
555L27Very low30.2Very low142 Ų142137.9 Ų137.974%0.74379%0.792SS**  cis83.2111.144.7-67.3167.9000113.2
556F30.7Very low29.9Very low201 Ų201139.5 Ų139.588%0.88279%0.788SS**  -162.4153.9108.2-116.8-84000111.1
557N26Very low29.7Very low135 Ų135139.5 Ų139.572%0.72278%0.784SS**  trans-97154.9169.5-86.8-0.5000109.7
558D31Very low29.2Very low144 Ų144139.4 Ų139.477%0.7778%0.784SS**  173.7165112.6-91.1-28000110.1
559S27.9Very low28.9Very low85 Ų85140.5 Ų140.559%0.59479%0.789SS**  cis162.7154.9-28-86.90000105
560S31.8Very low28.4Very low120 Ų120139.5 Ų139.584%0.83979%0.785SS**  trans74.5158.4-177.783.90000116.8
561S27.7Very low28.1Very low104 Ų104138.7 Ų138.773%0.72778%0.783SS**  179.2169.2-61.948.60000110.1
562S30.9Very low27.6Very low115 Ų115138.5 Ų138.580%0.80477%0.773SS**  trans85.8152.2173.481.60000117.2
563S28Very low27.2Very low106 Ų106145.7 Ų145.774%0.74178%0.777SS**  177.6123.7-58.445.70000111.3
564S29.2Very low27.1Very low109 Ų109139.9 Ų139.976%0.76277%0.772SS**  trans172120.2150.7-77.20000106.8
565S26.4Very low26.9Very low106 Ų106140.3 Ų140.374%0.74177%0.773SS**  61130.569.772.40000112.3
566E28Very low26.9Very low156 Ų156143.7 Ų143.773%0.72978%0.782SS**  cis-147.3165.142.9-74.6-169.789.900117
567Q28.1Very low26.7Very low156 Ų156139.8 Ų139.873%0.72978%0.78SS**  trans41.2104.9148.6-61171.946.900118.9
568Q22.8Very low26.8Very low170 Ų170138.5 Ų138.579%0.79478%0.781SS**  67111.261.2-65.8-166.4-16.200117.8
569Q26Very low26.8Very low200 Ų200138.8 Ų138.894%0.93578%0.778SS**  trans-148.8140.6132.7-108.7-176.211.700109.7
570F21.3Very low27Very low168 Ų168142.4 Ų142.474%0.73778%0.783SS**  trans-117.8138.9-176.3-89.3-102.3000111.2
571I25.7Very low26.8Very low169 Ų169144.7 Ų144.787%0.86779%0.786SS**  trans-134.4124.1152.9-61.1-177.6000107.8
572C22.6Very low27Very low99 Ų99147.3 Ų147.367%0.66979%0.791SS**  trans-96.3142.5-178-61.40000111.6
573Y24.5Very low26.8Very low233 Ų233147.9 Ų147.991%0.91480%0.795SS**  trans-141.3141.4149-107-80.2000110.4
574S24.4Very low27Very low109 Ų109146.5 Ų146.576%0.76279%0.786SS**  trans-91.4138.3-162.4-171.90000113.4
575P24.7Very low27Very low119 Ų119147 Ų14777%0.77379%0.79SS**  trans-80.1143.1174.733.1-33.9000112
576K27.3Very low27.2Very low214 Ų214150.9 Ų150.993%0.9379%0.788SS**  trans-109.4141.5159.8-76-168.2175-1750110.1
577S26Very low27.1Very low119 Ų119149.5 Ų149.583%0.83279%0.79SS**  trans-95.8143.8-162.752.80000114.5
578S28.8Very low27Very low108 Ų108147.5 Ų147.576%0.75579%0.785SS**  trans-161.2116.8138.160.70000112.6
579E30.8Very low27.1Very low149 Ų149146.6 Ų146.670%0.69678%0.784SS**  trans73122.1146.3-56.3-133.311700123.3
580K31.9Very low27.1Very low161 Ų161145.2 Ų145.270%0.778%0.778SS**  trans73.290.4132.7-66.4167.6-175.1152.10119.8
581N27.7Very low27.4Very low169 Ų169142.9 Ų142.990%0.90478%0.777SS**  trans20.4112.9137.5-60.80.5000118.8
582D31.5Very low27.5Very low158 Ų158139.6 Ų139.685%0.84577%0.765SS**  trans-144.5114.1150.3-150.5-11.1000109.1
583S28Very low27.7Very low127 Ų127141 Ų14189%0.88877%0.771SS**  trans-108.181-166.460.70000112.8
584S31.6Very low27.9Very low78 Ų78136 Ų13655%0.54576%0.764SS.*  trans-131.2100.3165.958.50000112.3W586S584-W586 PolarHBondContact OG-NE1 2.66Å
585S29.3Very low28.2Very low120 Ų120134 Ų13484%0.83976%0.76SS**  trans-85.1110.2168.554.70000109.6
586W30Very low28.3Very low186 Ų186137 Ų13771%0.70576%0.764SS**  trans-86.1138.6175.2-62.782.4000110.1S584S584-W586 PolarHBondContact OG-NE1 2.66Å
587V25.7Very low28.4Very low128 Ų128137.8 Ų137.878%0.77676%0.761SS**  trans-105.1110.2166.8179.40000106.6
588D27.3Very low28.6Very low114 Ų114137 Ų13761%0.6176%0.755SS**  trans-83.6120.7170.9-81.3-48.9000109.2R608D588-R608 IonicContact OD1-CZ 3.94Å; D588-R608 IonicContact OD1-NH2 3.94Å; D588-R608 PolarHBondContact OD1-NH2 2.67Å; D588-R608 IonicContact OD2-NH2 2.67Å; D588-R608 PolarHBondContact OD2-NH2 3.01Å
589L24.7Very low28.7Very low151 Ų151138.3 Ų138.379%0.79176%0.761SS**  trans-98.390.9179.5-153.883.2000109.3V591L589-V591 PolarHBondContact O-N 3.22Å
590E25.8Very low28.8Very low171 Ų171135.8 Ų135.880%0.79976%0.76SS**  trans-85.797.6-177.9-162.3175.9-148.500110.8V592E590-V592 HydrophobicContact CG-CG2 3.8Å; E590-V592 PolarHBondContact O-N 3.42Å; E590-V592 VanDerWaalsContact O-N 3.12Å
591V27.1Very low28.6Very low119 Ų119135.9 Ų135.972%0.72177%0.767SS**  trans-81.587.7176.4-176.90000109.6L589 T593L589-V591 PolarHBondContact O-N 3.22Å; V591-T593 PolarHBondContact O-N 3.09Å
592V27.3Very low28.7Very low100 Ų100134.7 Ų134.761%0.60676%0.759SS**  trans-84.5103.7177.8-173.80000110.8E590 V594E590-V592 HydrophobicContact CG-CG2 3.8Å; E590-V592 PolarHBondContact O-N 3.42Å; E590-V592 VanDerWaalsContact O-N 3.12Å; V592-V594 HydrophobicContact CG1-CG2 3.94Å; V592-V594 PolarHBondContact O-N 3.47Å
593T28Very low28.6Very low129 Ų129132.2 Ų132.279%0.79175%0.754SS**  trans-82.798.416939.10000110.9V591 G595V591-T593 PolarHBondContact O-N 3.09Å; T593-G595 PolarHBondContact O-N 2.79Å; T593-G595 VanDerWaalsContact O-N 3.16Å
594V28.5Very low28.6Very low128 Ų128130.9 Ų130.978%0.77674%0.74SS**  trans-78.897.5175.5-175.80000110.2V592V592-V594 HydrophobicContact CG1-CG2 3.94Å; V592-V594 PolarHBondContact O-N 3.47Å
595G29Very low28.7Very low66 Ų66132.7 Ų132.768%0.6875%0.75SS**  trans-100.5121.2168.900000111.5T593 R597T593-G595 PolarHBondContact O-N 2.79Å; T593-G595 VanDerWaalsContact O-N 3.16Å; G595-R597 PolarHBondContact O-N 3.12Å; G595-R597 VanDerWaalsContact O-N 3.12Å
596E27.6Very low28.7Very low182 Ų182133.1 Ų133.185%0.8575%0.747SS**  trans-77.295.5179.5-67.4-172.5152.500112.6
597R30.1Very low28.8Very low231 Ų231129 Ų12987%0.87275%0.745SS**SBendtrans166.9155.5137.6-89.2153.5-168.7-146.60.5111.3G595G595-R597 PolarHBondContact O-N 3.12Å; G595-R597 VanDerWaalsContact O-N 3.12Å
598S29.8Very low29.1Very low102 Ų102131.5 Ų131.571%0.71374%0.74SS**  trans72.2110.3175.6-52.80000116.3S600S598-S600 PolarHBondContact O-N 3.4Å
599P30.2Very low29.2Very low136 Ų136129.9 Ų129.988%0.88374%0.742SS**  trans-88.884-179.235.1-34.1000112.9
600S33Very low29.3Very low96 Ų96133.6 Ų133.667%0.67175%0.746SS**  trans-134.175.3170.9340000111.1S598 I602S598-S600 PolarHBondContact O-N 3.4Å; S600-I602 PolarHBondContact O-N 3.29Å; S600-I602 VanDerWaalsContact O-N 3.07Å
601I28.8Very low29.4Very low163 Ų163133.1 Ų133.184%0.83675%0.748SS**  trans-7498.6-176.4-55.5176.2000110.4
602I28.9Very low29.3Very low144 Ų144133.3 Ų133.374%0.73875%0.754SS**  trans-109.697.7165.5-58.2-179.9000108S600 V604S600-I602 PolarHBondContact O-N 3.29Å; S600-I602 VanDerWaalsContact O-N 3.07Å; I602-V604 HydrophobicContact CG2-CG2 4.1Å; I602-V604 PolarHBondContact O-N 2.72Å
603S30Very low29.4Very low106 Ų106135 Ų13574%0.74177%0.765SS**  trans-79.196.9177.456.90000110.8
604V28.1Very low29.3Very low98 Ų98138 Ų13859%0.59477%0.767SS**PPolyproline II helixtrans-83.6122.8176-175.20000110.1I602 V606I602-V604 HydrophobicContact CG2-CG2 4.1Å; I602-V604 PolarHBondContact O-N 2.72Å; V604-V606 PolarHBondContact O-N 3.41Å
605P32.7Very low29.5Very low117 Ų117141.2 Ų141.276%0.7677%0.77SS**PPolyproline II helixtrans-77.5118.1179.630-33.3000111.8
606V30.6Very low29.6Very low128 Ų128146.3 Ų146.378%0.77678%0.776SS**PPolyproline II helixtrans-70.1139.8173.2-1790000110.3V604 R608V604-V606 PolarHBondContact O-N 3.41Å; V606-R608 PolarHBondContact O-N 2.96Å
607P32.1Very low29.8Very low101 Ų101143 Ų14366%0.65678%0.78SS**PPolyproline II helixtrans-59.3120.5177.5-25.335.1000112.9L229 A609L229-P607 HydrophobicContact CD1-CG 4.42Å; P607-A609 PolarHBondContact O-N 3.02Å; P607-A609 VanDerWaalsContact O-N 3.14Å
608R30.7Very low29.9Very low180 Ų180135 Ų13568%0.67977%0.77SS**  trans-67.8107.8175.3-95.9-177.9169.3162.3-6.8111D588 V606 R610D588-R608 IonicContact OD1-CZ 3.94Å; D588-R608 IonicContact OD1-NH2 3.94Å; D588-R608 PolarHBondContact OD1-NH2 2.67Å; D588-R608 IonicContact OD2-NH2 2.67Å; D588-R608 PolarHBondContact OD2-NH2 3.01Å; V606-R608 PolarHBondContact O-N 2.96Å; R608-R610 PolarHBondContact O-N 3.16Å
609A29Very low30.1Very low79 Ų79137.8 Ų137.865%0.65378%0.775SS**  trans-63.2118.4164.900000110.3P607 L611P607-A609 PolarHBondContact O-N 3.02Å; P607-A609 VanDerWaalsContact O-N 3.14Å; A609-L611 PolarHBondContact O-N 3.11Å
610R28.7Very low29.9Very low230 Ų230137.4 Ų137.487%0.86878%0.776SS**  trans-87.895.3176-82.8-176.2166.7-176.8-3.3110.9R608R608-R610 PolarHBondContact O-N 3.16Å
611L26.2Very low29.8Very low161 Ų161141.3 Ų141.384%0.84378%0.781SS**  trans-81.7127.3159.8-75.1168.4000109.6A609A609-L611 PolarHBondContact O-N 3.11Å
612S26.1Very low29.7Very low122 Ų122144.9 Ų144.985%0.85378%0.784SS**  trans-108.1103.5178.6-171.10000109.9
613V28.2Very low29.5Very low136 Ų136147.3 Ų147.382%0.82479%0.789SS**  trans-95.3106.5179-177.60000109.4K615V613-K615 PolarHBondContact O-N 3.37Å
614K27.7Very low29.2Very low191 Ų191147.2 Ų147.283%0.8379%0.788SS**  trans-83.2111.5176-161.8-177.1-175.7-1680109.2
615K31.7Very low29.2Very low196 Ų196148.7 Ų148.785%0.85280%0.797SS**  trans-88.9117.6-179.4-173175.8-176.5177.90110.9V613V613-K615 PolarHBondContact O-N 3.37Å
616E30.9Very low28.8Very low173 Ų173150 Ų15081%0.80880%0.798SS**  trans-79.5154.6169.7-65.7-172.6148.800111.3
617A32.8Very low28.4Very low113 Ų113151.1 Ų151.193%0.93480%0.804SS**  trans-99.899.5-169.500000111.8
618G32.6Very low28.2Very low64 Ų64151 Ų15166%0.6681%0.806SS**  trans-179.4153.2173.500000111.9
619I32.4Very low28Very low160 Ų160146.5 Ų146.582%0.82180%0.802SS**  trans57.292.4173.1-49.1176.4000114.4
620S27.6Very low28Very low127 Ų127149.2 Ų149.289%0.88881%0.806SS**  trans-86.9113.8164.2-172.90000110.3
621K30.5Very low28.1Very low179 Ų179147.9 Ų147.978%0.77881%0.809SS**  trans-133.2136.1161.6-76.1-170176.2-178.20109.2
622R25Very low28.4Very low238 Ų238145.5 Ų145.590%0.89880%0.801SS**  trans-70.1134.8174.1-66.4176.1178.9156-2.5109.3
623F26.6Very low28.6Very low195 Ų195148.4 Ų148.486%0.85580%0.802SS**  trans-118.4115.5151.2-92.9-84.3000108.1
624S23.4Very low28.6Very low103 Ų103148 Ų14872%0.7280%0.804SS**  trans-87.2135.9162.7-51.90000107.4
625V26.8Very low28.6Very low129 Ų129143.6 Ų143.678%0.78280%0.804SS**  trans-124.1110.6164.1-179.90000106.5
626N24.8Very low28.6Very low146 Ų146138.4 Ų138.478%0.78180%0.798SS**  trans-70132.3171.1-75.8-4.8000108.6S628N626-S628 PolarHBondContact O-N 3.06Å
627V23.4Very low28.6Very low150 Ų150138.7 Ų138.791%0.90980%0.799SS**  trans-86.2100.2156.1-179.60000106.3
628S27.5Very low28.5Very low99 Ų99141.6 Ų141.669%0.69280%0.798SS**  trans-108.6135.1161.7-161.50000107.7N626N626-S628 PolarHBondContact O-N 3.06Å
629S25.7Very low28.4Very low85 Ų85145.4 Ų145.459%0.59480%0.803SS**  trans-69.1155.8152.3530000108.9
630D29.9Very low28.5Very low136 Ų136143.5 Ų143.573%0.72779%0.794SS**  171.3118.1111.4-80.7-12000110.1
631H31.1Very low28.8Very low202 Ų202145.8 Ų145.894%0.93579%0.788SS**  trans-99.298.6164.1-86.4-64.2000108.2
632T32.3Very low28.8Very low112 Ų112141.9 Ų141.969%0.68779%0.79SS**  trans-149.5130.1161.215.50000111.3
633E30.2Very low29.2Very low183 Ų183140.4 Ų140.486%0.85579%0.79SS**  trans48100.1145.3-59.1-178.6156.800119.1
634S27.3Very low29.4Very low126 Ų126135.4 Ų135.488%0.88178%0.779SS**  trans-81.6129.7157-179.50000110.1
635A28.2Very low29.7Very low100 Ų100138 Ų13883%0.82678%0.784SS**  trans-142.473.2-178.100000112.8
636A32.6Very low30Very low87 Ų87137.3 Ų137.372%0.71978%0.776SS**  trans-161.2102.4159.500000106.7
637Q28.9Very low30.3Very low179 Ų179139.9 Ų139.984%0.83678%0.775SS**  62.873.456.5-159.1178.210.500113.1
638L32.2Very low30.9Very low174 Ų174137.8 Ų137.891%0.91177%0.767SS**  trans-141.3141.6150.4-93.8173.9000107.8
639D30.6Very low31Very low143 Ų143143.5 Ų143.577%0.76578%0.775SS**  trans-95.7168.1-164.8-63.4-71.8000114.8
640D34.1Very low31.2Very low120 Ų120143.9 Ų143.964%0.64277%0.773SS**  trans93.6126.6135.8-131-2.1000121.4
641K33Very low31.3Very low175 Ų175146.6 Ų146.676%0.76178%0.779SS**  trans79.2155.9155.2-69.4139.9-177.1158.10122.4
642A32.4Very low31.2Very low97 Ų97144.6 Ų144.680%0.80277%0.769SS**  trans60.8106.1-179.700000115.2
643F31.7Very low31.1Very low208 Ų208149.2 Ų149.291%0.91278%0.78SS**  cis76.3117.229.2-127.2-76.6000115.7
644S31.8Very low31.2Very low90 Ų90150.6 Ų150.663%0.62978%0.777SS**  trans97.5107.4150.3-139.50000122.4
645L29.7Very low31.5Very low156 Ų156152 Ų15282%0.81777%0.77SS**  trans63.1149130.2-69.6174.2000124.4
646D32Very low31.8Very low115 Ų115154.7 Ų154.762%0.61577%0.771SS**  trans70.6148.1156.1-105.1-21.6000118.2
647R32.5Very low32Very low201 Ų201154.7 Ų154.776%0.75877%0.771SS**  cis-155.6169.5-1.9-166.1168.6-79.9-174.62.3111
648S34.5Very low32.4Very low105 Ų105153.5 Ų153.573%0.73477%0.768SS**  trans77.6114.1162.3-52.80000115.4
649Y29.4Very low32.6Very low220 Ų220154.6 Ų154.686%0.86377%0.766SS**  cis70.2141.135-119.9-101.5000114.5
650V30.6Very low32.7Very low92 Ų92153.2 Ų153.256%0.55876%0.764SS**  cis172.6136.7-40.4136.30000108.8
651K31.4Very low32.8Very low194 Ų194155 Ų15584%0.84377%0.774SS**  trans61.4-175.8166.7-74.7170.5-176.5173.90113.4
652Q30.7Very low32.9Very low159 Ų159151.2 Ų151.274%0.74377%0.769SS**  cis-158.1144.119.6-167.5163-30.500114.5R654Q652-R654 PolarHBondContact NE2-O 3.28Å
653K28.7Very low33.1Very low210 Ų210152 Ų15291%0.91377%0.768SS**  trans-14280.7159.2-168.8178.2-177.1176.90112
654R33.7Very low33.6Very low211 Ų211148.1 Ų148.180%0.79676%0.764SS**  trans-169.2148.6149.7-112.6171.8178.11661.1110.5Q652Q652-R654 PolarHBondContact NE2-O 3.28Å
655E33.8Very low33.6Very low155 Ų155149.3 Ų149.372%0.72477%0.773SS**  trans-84.8175.2-157.3-55.8107.6125.300116.4
656N33.4Very low33.9Very low158 Ų158148 Ų14885%0.84577%0.771SS**  trans98.6125.9149.3-62.4-33.1000121.1
657A36.1Very low34Very low87 Ų87146.6 Ų146.672%0.71978%0.775SS**  trans94.986.514400000122.1
658I37.8Very low34.2Very low153 Ų153142.4 Ų142.479%0.78578%0.776SS**  68.6101.5122.3-60.6162.9000120.5
659K35.9Very low34.2Very low198 Ų198143.7 Ų143.786%0.86179%0.785SS**  trans68.5143.7137.9-64.8-178.5178.9-178.70122.3
660P34.2Very low34.5Very low113 Ų113139.3 Ų139.373%0.73479%0.787SS**  trans-120.1178-17744.6-34.7000115.6
661L34.7Very low34.8Very low159 Ų159138.5 Ų138.583%0.83280%0.798SS**  -178.1157.7126.4-116.3110.9000115.8
662S36.5Very low34.9Very low95 Ų95137.6 Ų137.666%0.66480%0.802SS**  trans62.1101.7151.855.70000125.4
663S36.2Very low35.2Very low113 Ų113135 Ų13579%0.7981%0.808SS**  51.9134123.659.40000125.1
664P41.7Very low35.5Very low126 Ų126133.7 Ų133.782%0.81881%0.805SS**  trans-120.3173.7-179.744.1-34.8000117.8
665S32.5Very low35.7Very low116 Ų116131.7 Ų131.781%0.81181%0.808SS**  trans-175.7161.8167.6-85.20000111
666V35.2Very low35.8Very low128 Ų128127.7 Ų127.778%0.77681%0.809SS**  cis-166.8161.1-17.6128.50000109.2
667A35Very low36Very low86 Ų86124.2 Ų124.271%0.71181%0.81SS**  trans67.8173.5165.200000119.4
668S35.2Very low35.9Very low112 Ų112126.1 Ų126.178%0.78382%0.818SS**  177129.8-7255.40000112.1
669S35.2Very low35.7Very low132 Ų132126.3 Ų126.392%0.92382%0.818SS**  trans-167.4167.5165.854.90000113
670S36.5Very low35.6Very low129 Ų129125.6 Ų125.690%0.90282%0.817SS**  trans-141.2162.1-169.955.70000114
671G35.8Very low35.6Very low75 Ų75125.5 Ų125.577%0.77381%0.811SS**  trans-166.7145.3171.500000114.2
672N34.7Very low35.7Very low174 Ų174125.7 Ų125.793%0.9381%0.807SS**  trans-113.3156.8-176.5-84.2-12.8000112.8
673A36Very low35.5Very low105 Ų105126.8 Ų126.887%0.86882%0.815SS**  trans-151.4168.1159.500000110.7
674Q34.9Very low35.1Very low183 Ų183126.1 Ų126.186%0.85582%0.816SS**  trans-151.6177.9-155.1-165.9175.3-5.500112.8
675I38.1Very low34.6Very low168 Ų168127.1 Ų127.186%0.86282%0.819SS**  trans88.1140.5167.8-50.1155.5000114.9
676G36.8Very low34.5Very low72 Ų72130.4 Ų130.474%0.74282%0.822SS**  cis157.6149.7-12.100000115.7
677G36.3Very low34.4Very low85 Ų85131.8 Ų131.888%0.87683%0.825SS**  trans85.7154.6169.400000117.3
678S34.2Very low34.3Very low127 Ų127132.4 Ų132.489%0.88882%0.824SS**  cis-157.4178.5-8.1-160.90000111.9
679M34.2Very low34.2Very low157 Ų157130.6 Ų130.677%0.77382%0.824SS**  trans-85.5168.8-177-61.7158.867.400112.1
680E34.7Very low34Very low182 Ų182133.9 Ų133.985%0.8582%0.824SS**  -180-174.864-76.2-171.4139.300109.5
681N33.2Very low33.7Very low111 Ų111137.3 Ų137.359%0.59482%0.823SS**  -168.4165.8-54.2-159.21000109.8
682H37.6Very low33.6Very low163 Ų163137.9 Ų137.976%0.75582%0.821SS**  trans65.9158171-61.3-64.7000118.8
683S30.9Very low33.5Very low119 Ų119136.1 Ų136.183%0.83281%0.809SS**  cis-153.8165.3-5.8370000111.2
684A28.7Very low33.1Very low98 Ų98141.4 Ų141.481%0.8181%0.808SS**  trans-112.9159.7-174.100000115.1
685V31.8Very low32.9Very low147 Ų147138 Ų13889%0.89180%0.8SS**  trans-142.1148164.4-179.90000108.9
686Q29.5Very low32.5Very low186 Ų186137.6 Ų137.687%0.86980%0.797SS**  trans-107152.4178.6-54.1164-68.400110.6
687D32.9Very low32.4Very low156 Ų156139.7 Ų139.783%0.83480%0.797SS**  trans-160.7159.4135-143.6-9.7000115.3
688S34Very low32.2Very low99 Ų99143.5 Ų143.569%0.69280%0.798SS**  trans18.2118.2156.770.30000120.2
689G31.2Very low32.1Very low75 Ų75147.5 Ų147.577%0.77379%0.793SS**  trans-87.9174.1167.800000114.7
690Q32.1Very low32Very low200 Ų200144.8 Ų144.894%0.93579%0.788SS**  trans-147.5127.2156.2-1031738.500109.7A692Q690-A692 PolarHBondContact O-N 3.22Å
691K30.9Very low32Very low201 Ų201142.1 Ų142.187%0.87479%0.786SS**  trans-84.5101.8173.4-82.7-175.5174.81790109.9I693K691-I693 PolarHBondContact O-N 2.86Å; K691-I693 VanDerWaalsContact O-N 3.13Å
692A32.5Very low31.9Very low88 Ų88142.9 Ų142.973%0.72779%0.789SS**  trans-76.393.6169.700000110.6Q690 Y694Q690-A692 PolarHBondContact O-N 3.22Å; A692-Y694 PolarHBondContact O-N 2.88Å
693I32.5Very low31.6Very low136 Ų136140.1 Ų140.170%0.69779%0.786SS**  trans-78.2103.7172.7-54.9177.1000108.6K691 T695K691-I693 PolarHBondContact O-N 2.86Å; K691-I693 VanDerWaalsContact O-N 3.13Å; I693-T695 WeakPolarHBondContact CG2-OG1 3.36Å; I693-T695 PolarHBondContact O-N 3.18Å
694Y28.3Very low31.4Very low216 Ų216144.4 Ų144.485%0.84779%0.79SS**  trans-78.175.2170.4-102.4-87.2000111A692 M696A692-Y694 PolarHBondContact O-N 2.88Å; Y694-M696 PolarHBondContact O-N 3.04Å
695T31Very low31.4Very low111 Ų111149.1 Ų149.168%0.68179%0.792SS**  trans-69107.9167.4-53.80000108.7I693I693-T695 WeakPolarHBondContact CG2-OG1 3.36Å; I693-T695 PolarHBondContact O-N 3.18Å
696M29.4Very low31.3Very low161 Ų161146.8 Ų146.879%0.79378%0.782SS**  trans-56.4132.6168.4-76.6-70.6-173.500109.4Y694 N698Y694-M696 PolarHBondContact O-N 3.04Å; M696-N698 PolarHBondContact O-N 3.33Å
697P33.6Very low31.2Very low116 Ų116145.4 Ų145.475%0.75378%0.779SS**  trans-63135.5-178.225.6-33.7000110.4R699P697-R699 PolarHBondContact O-N 3.12Å
698N33.2Very low30.9Very low165 Ų165145.9 Ų145.988%0.88278%0.781SS**  trans-55.8107179.6-86.5-48.8000110.8M696M696-N698 PolarHBondContact O-N 3.33Å
699R30.8Very low30.6Very low210 Ų210145.1 Ų145.179%0.79278%0.775SS**  trans-63.6123.8171.8-165.8-178.9-165.3-168.76.3107.9P697P697-R699 PolarHBondContact O-N 3.12Å
700P33.9Very low30.4Very low101 Ų101150.2 Ų150.266%0.65678%0.776SS**  trans-60.6142.4-179.124.4-33.7000110.1L702P700-L702 PolarHBondContact O-N 2.87Å
701P34.7Very low30.3Very low125 Ų125148 Ų14881%0.81277%0.766SS**  trans-64.3114.3-177.625.7-33.6000109.8
702L30.9Very low30.2Very low127 Ų127142.9 Ų142.967%0.66576%0.755SS**  trans-54.5136.5175.6-73.4170.4000109.8P700 K704P700-L702 PolarHBondContact O-N 2.87Å; L702-K704 PolarHBondContact O-N 3.32Å; L702-K704 VanDerWaalsContact O-N 3.16Å
703P29.8Very low29.9Very low106 Ų106145.8 Ų145.869%0.68875%0.751SS**  trans-61.8121.6-169.922.9-33.3000110.9K705P703-K705 PolarHBondContact O-N 2.73Å
704K28.1Very low29.6Very low209 Ų209143.6 Ų143.691%0.90975%0.748SS**SBendtrans-69.463.7176.4-68.5-175.7176.8179.70111.7L702L702-K704 PolarHBondContact O-N 3.32Å; L702-K704 VanDerWaalsContact O-N 3.16Å
705K28Very low29.6Very low196 Ų196140.7 Ų140.785%0.85274%0.74SS**  trans-17343.5176-103.9151.5-173.6178.70112.8P703P703-K705 PolarHBondContact O-N 2.73Å
706S29.1Very low29.5Very low99 Ų99144.2 Ų144.269%0.69275%0.746SS**  trans-83.7146.1159.870.10000110.2L708S706-L708 PolarHBondContact O-N 3.4Å; S706-L708 VanDerWaalsContact O-N 3.13Å
707I28.2Very low29.5Very low156 Ų156139 Ų13980%0.873%0.733SS**  trans-92.874.2-166.5-53.2173000110.3
708L26.8Very low29.1Very low167 Ų167141 Ų14187%0.87474%0.738SS**  trans-99.960.5163.5-77.1170.6000110.1S706 K710S706-L708 PolarHBondContact O-N 3.4Å; S706-L708 VanDerWaalsContact O-N 3.13Å; L708-K710 PolarHBondContact O-N 3.17Å
709S27.4Very low29.1Very low82 Ų82138 Ų13857%0.57374%0.735SS**  trans-76106.6176.9175.70000111.3H711S709-H711 PolarHBondContact O-N 2.92Å
710K27.9Very low29Very low182 Ų182137.4 Ų137.479%0.79174%0.739SS**  trans39.357.2144.1-59-175.9177.6-176.60116.8L708 S712L708-K710 PolarHBondContact O-N 3.17Å; K710-S712 PolarHBondContact O-N 2.82Å
711H28.8Very low28.8Very low155 Ų155136.7 Ų136.772%0.71874%0.741SS**  trans-80.449.2161.8-98-88.7000112.6S709 F713S709-H711 PolarHBondContact O-N 2.92Å; H711-F713 AromaticContact ND1-CD2 3.88Å; H711-F713 AromaticContact ND1-CE2 3.51Å; H711-F713 PolarHBondContact O-N 3.06Å
712S28.3Very low28.5Very low92 Ų92142.1 Ų142.164%0.64375%0.747SS**  trans-65.4111.4145.650.70000106.8K710 S714K710-S712 PolarHBondContact O-N 2.82Å; S712-S714 PolarHBondContact O-N 2.82Å
713F27.9Very low28.5Very low150 Ų150145.7 Ų145.766%0.65876%0.761SS**  trans-69.271.9177-104-93.2000111H711 F715H711-F713 AromaticContact ND1-CD2 3.88Å; H711-F713 AromaticContact ND1-CE2 3.51Å; H711-F713 PolarHBondContact O-N 3.06Å; F713-F715 PolarHBondContact O-N 3.38Å
714S26.4Very low28.5Very low90 Ų90149.2 Ų149.263%0.62977%0.768SS**  trans-77.897.6167.8-169.80000107.7S712 K716S712-S714 PolarHBondContact O-N 2.82Å; S714-K716 PolarHBondContact O-N 3.23Å
715F27.6Very low28.6Very low154 Ų154146.5 Ų146.568%0.67576%0.763SS**  trans-74.651.6179.2-145.4-85.1000111.9T81 F713 G717T81-F715 HydrophobicContact CG2-CE2 4.45Å; F713-F715 PolarHBondContact O-N 3.38Å; F715-G717 PolarHBondContact O-N 3.27Å
716K29.6Very low29Very low186 Ų186144.9 Ų144.981%0.80976%0.763SS**  trans-78.659.8161.5-79.9-170.7171.6-178.50109.5S714 N718S714-K716 PolarHBondContact O-N 3.23Å; K716-N718 PolarHBondContact O-N 3.24Å
717G27.7Very low29.1Very low51 Ų51151.4 Ų151.453%0.52677%0.772SS.*  trans-58.7122.7168.100000109F715 A719F715-G717 PolarHBondContact O-N 3.27Å; G717-A719 PolarHBondContact O-N 2.9Å
718N27.1Very low29.3Very low158 Ų158148.4 Ų148.485%0.84577%0.771SS**  trans-80.965.3-175.1-134.1-9.7000109.8K716 K720K716-N718 PolarHBondContact O-N 3.24Å; N718-K720 PolarHBondContact O-N 2.97Å
719A31.7Very low29.7Very low101 Ų101149.4 Ų149.484%0.83577%0.769SS**  trans-72.564.6-175.100000112G717G717-A719 PolarHBondContact O-N 2.9Å
720K29.2Very low30.1Very low198 Ų198152.8 Ų152.886%0.86178%0.78SS**  trans-131.731.4-179.6-103.4-168.3177.8-176.20114.3N718N718-K720 PolarHBondContact O-N 2.97Å
721A29.8Very low30.4Very low86 Ų86147.5 Ų147.571%0.71178%0.777SS**SBendtrans-170.389.2156.400000111.4
722Y28.1Very low30.6Very low239 Ų239147.9 Ų147.994%0.93778%0.784SS**SBendtrans-175.254.1145.3-118.1-80000113.2
723Q31.8Very low30.8Very low202 Ų202155.2 Ų155.294%0.94480%0.798SS**  trans-154.597.7160.7-115.3176.61600109.3
724Q29.5Very low30.9Very low180 Ų180155.3 Ų155.384%0.84181%0.81SS**  trans-141.6139.9170.7-163168.618.400106.6
725N30.3Very low31.1Very low152 Ų152154.5 Ų154.581%0.81382%0.817SS**  trans75.182.9-165.2-46.8-36.7000114.8
726L35.1Very low31Very low162 Ų162158.3 Ų158.385%0.84883%0.827SS**SBend-166.7119.8114.5-101.1163.2000111.4
727R32.8Very low31.1Very low236 Ų236160.6 Ų160.689%0.89183%0.832SS**  trans45.3110.6163.9-63.4-175.6178.6-167.5-1.2119.6
728A31.1Very low31.2Very low94 Ų94166.6 Ų166.678%0.77785%0.846SS**  trans-95.1176.9145.900000110
729K36.4Very low31.3Very low188 Ų188163.9 Ų163.982%0.81784%0.839SS**  trans77.6131.1-171.7-61.3-166.2175.4-1670114.3
730D35.8Very low31.1Very low153 Ų153166.2 Ų166.282%0.81884%0.838SS**  cis-137.5176.6-12.9-67.4-52.8000105.6
731G34.2Very low31.2Very low70 Ų70161.4 Ų161.472%0.72283%0.829SS**  cis168.7163.28.200000107.2
732D31.5Very low31.2Very low163 Ų163166.6 Ų166.687%0.87284%0.835SS**  trans-62.4140.7-169.5-71.8-71.1000116.3
733R32.9Very low31.4Very low247 Ų247163.1 Ų163.193%0.93283%0.832SS**  -164.7141.7125.2-108.7166.5-161.7-1502.4114.5
734V29.7Very low31.4Very low151 Ų151159.1 Ų159.192%0.91582%0.824SS**  trans-79.3133.4171175.40000109.9
735G32.1Very low31.3Very low74 Ų74157.4 Ų157.476%0.76382%0.821SS**  trans-150.7113.517400000111.6
736R25.8Very low31.3Very low234 Ų234159.4 Ų159.488%0.88383%0.825SS**  trans-92.3118.8176.7174.3-160.4-70.4164.9-5.1109.3
737Y31.4Very low30.9Very low233 Ų233154.3 Ų154.391%0.91481%0.812SS**  trans-146.2160.1161.6-99.9-73.1000111.9
738E28.5Very low30.8Very low178 Ų178147.8 Ų147.883%0.83281%0.808SS**  trans-99.4176.1-167-65.4172.1122.300113.3
739S29.3Very low30.6Very low100 Ų100150.6 Ų150.670%0.69981%0.81SS**  trans-40137.3-179.452.20000117.3
740N28.2Very low30.3Very low151 Ų151151.5 Ų151.581%0.80782%0.815SS**  -165.7157.3109-110.4-49.1000117.4
741S31.4Very low30Very low96 Ų96151 Ų15167%0.67181%0.812SS**  trans59.5110.5151.759.50000123.8
742K28.9Very low29.8Very low195 Ų195153.4 Ų153.485%0.84881%0.813SS**  63.7115.6125.1-62.3-176.3173.9-174.80121.8
743L33.1Very low29.7Very low166 Ų166151.5 Ų151.587%0.86980%0.802SS**  161.7153.8111-88.9168.8000111.3
744P31.7Very low29.6Very low118 Ų118146.7 Ų146.777%0.76680%0.8SS**  cis-105.7-175-2839.6-28.5000111.5
745D26.5Very low29.6Very low145 Ų145150.1 Ų150.178%0.77580%0.797SS**  trans-115.2123.5178.3-171.9-1.3000109.9G747D745-G747 PolarHBondContact OD1-N 3.12Å
746E31.4Very low29.6Very low193 Ų193155.9 Ų155.990%0.90280%0.801SS**  trans-125.760.2164.7-78.9-154.9151.300110A748E746-A748 PolarHBondContact O-N 3.16Å; E746-A748 VanDerWaalsContact O-N 3.1Å
747G26.8Very low30.1Very low56 Ų56152.9 Ų152.958%0.57780%0.802SS**  trans-63.6102.2161.700000111.3D745 N749D745-G747 PolarHBondContact OD1-N 3.12Å; G747-N749 PolarHBondContact O-N 3.45Å
748A30.5Very low30.3Very low99 Ų99149.2 Ų149.282%0.81880%0.797SS**  trans-69.171.8169.600000111.3E746 F750E746-A748 PolarHBondContact O-N 3.16Å; E746-A748 VanDerWaalsContact O-N 3.1Å; A748-F750 PolarHBondContact O-N 3.1Å
749N26.8Very low30.5Very low152 Ų152145.2 Ų145.281%0.81379%0.794SS**  trans-67.9121170.5-114.2-0.1000109G747G747-N749 PolarHBondContact O-N 3.45Å
750F30.4Very low30.9Very low208 Ų208147.1 Ų147.191%0.91280%0.797SS**  trans-128.364.9174.4-117.9-77.2000110.2A748A748-F750 PolarHBondContact O-N 3.1Å
751D28.6Very low31.4Very low141 Ų141147.4 Ų147.475%0.75479%0.793SS**  trans-152.3147.5164.8-160.6-4.6000108.4
752V31.3Very low31.7Very low122 Ų122148.1 Ų148.174%0.73980%0.795SS**  trans66133.6-173.1-168.10000112.9
753D28.9Very low31.9Very low122 Ų122146.5 Ų146.565%0.65280%0.796SS**  cis-139.5148.614.5-149.3-35.9000112.7R755D753-R755 PolarHBondContact OD1-N 3.42Å
754T31Very low32Very low146 Ų146144.2 Ų144.290%0.89679%0.794SS**  trans-156.546.9159.2-28.40000112.1
755R29.6Very low32.1Very low224 Ų224142.3 Ų142.385%0.84580%0.796SS**  trans-131.374.3174.8-80-172.3171.8176.8-0.5114.3D753D753-R755 PolarHBondContact OD1-N 3.42Å
756K31.5Very low32.3Very low195 Ų195146.7 Ų146.785%0.84880%0.802SS**  trans167.6114.2139.5-93.9155.9-177.5178.80111.5
757L36.9Very low32.5Very low171 Ų171144.2 Ų144.290%0.89580%0.8SS**  trans-130.8146.7140.5-85.9175.1000108.2
758L35.3Very low32.7Very low156 Ų156150.2 Ų150.282%0.81781%0.81SS**  trans-72.9127.4179-79.757000107.3
759A33.5Very low32.7Very low94 Ų94153.3 Ų153.378%0.77781%0.812SS**  63.488.473.100000113.2
760D36.5Very low32.9Very low140 Ų140151 Ų15175%0.74981%0.814SS**  -156.5155.8125.2-145.9-12000113.2
761Q39.6Very low33.1Very low157 Ų157148.8 Ų148.873%0.73480%0.804SS**  trans61.4155.2166.5-59.8-53.6-68.200121.2
762P36.4Very low33.2Very low110 Ų110150.8 Ų150.871%0.71481%0.808SS**  trans-140.6-179.1-149.942.3-22000118.9
763D33Very low33.3Very low162 Ų162151.5 Ų151.587%0.86680%0.804SS**  trans99.6153.9141.9-147.913.1000120.8
764S35.1Very low33.5Very low117 Ų117151 Ų15182%0.81881%0.805SS**  trans6593.6174-158.20000118.6
765G35.2Very low33.5Very low79 Ų79151.9 Ų151.981%0.81480%0.801SS**  trans-169.136.7175.200000116.1V767G765-V767 PolarHBondContact O-N 3.13Å
766R30.3Very low33.7Very low236 Ų236149.5 Ų149.589%0.89180%0.8SS**  trans-79.1103.9-166-177.4-160.9-74.6175.5-3.3114.6
767V34.4Very low33.8Very low142 Ų142146 Ų14686%0.86179%0.789SS**  trans-133.6138.5150.8-177.50000109.8G765G765-V767 PolarHBondContact O-N 3.13Å
768K31.7Very low33.6Very low182 Ų182143.7 Ų143.779%0.79178%0.777SS**  trans-107.6133.8179.3-63.9177.9178.5-179.70110.7
769L31.4Very low33.3Very low164 Ų164141.5 Ų141.586%0.85978%0.775SS**  trans-162.199146.9-115.1160.7000110.2
770A30.4Very low33.4Very low103 Ų103143.7 Ų143.785%0.85177%0.769SS**  trans-95.8126.3166.500000108.2
771K33.7Very low33.2Very low162 Ų162144.2 Ų144.270%0.70477%0.77SS**  trans-136.4113.4170.1-134.4-173173.7-152.30109E773K771-E773 HydrophobicContact CD-CG 4.35Å; K771-E773 WeakPolarHBondContact CD-OE1 3.32Å; K771-E773 VanDerWaalsContact CE-OE1 3.3Å; K771-E773 WeakPolarHBondContact CE-OE1 2.78Å; K771-E773 HydrophobicContact CG-CG 4.41Å; K771-E773 IonicContact NZ-OE1 2.69Å; K771-E773 PolarHBondContact NZ-OE1 2.88Å
772Q31.4Very low32.8Very low183 Ų183146.2 Ų146.286%0.85577%0.773SS**  trans-97.190.6-178.8-179.3177.5-0.500107.6T774Q772-T774 PolarHBondContact O-N 2.83Å
773E32.6Very low32.4Very low137 Ų137151.6 Ų151.664%0.6478%0.78SS**  trans-92.690.9-176.9-68.1-167.8159.600111.4K771 M775K771-E773 HydrophobicContact CD-CG 4.35Å; K771-E773 WeakPolarHBondContact CD-OE1 3.32Å; K771-E773 VanDerWaalsContact CE-OE1 3.3Å; K771-E773 WeakPolarHBondContact CE-OE1 2.78Å; K771-E773 HydrophobicContact CG-CG 4.41Å; K771-E773 IonicContact NZ-OE1 2.69Å; K771-E773 PolarHBondContact NZ-OE1 2.88Å; E773-M775 PolarHBondContact O-N 3.27Å
774T33Very low32.4Very low112 Ų112155.3 Ų155.369%0.68778%0.782SS**  trans-66.7103.3159.944.30000109.2Q772 E776Q772-T774 PolarHBondContact O-N 2.83Å; T774-E776 VanDerWaalsContact C-N 3.35Å; T774-E776 PolarHBondContact O-N 2.73Å
775M31.8Very low32.4Very low164 Ų164155.2 Ų155.281%0.80878%0.781SS**  trans-73.289.3169-73.7-167.975.300110.6E773 I777E773-M775 PolarHBondContact O-N 3.27Å; M775-I777 PolarHBondContact O-N 2.82Å
776E33.2Very low32.2Very low174 Ų174161 Ų16181%0.81378%0.784SS**  trans-68.2118.3153.4-68.2-175119.700108.1T774 D778T774-E776 VanDerWaalsContact C-N 3.35Å; T774-E776 PolarHBondContact O-N 2.73Å; E776-D778 VanDerWaalsContact C-N 3.26Å; E776-D778 PolarHBondContact O-N 3.06Å; E776-D778 VanDerWaalsContact O-N 3.11Å
777I35.1Very low32.7Very low122 Ų122155.7 Ų155.763%0.62678%0.78SS**  trans-85.280.1172.1-61.9172.4000106.4M219 M775M219-I777 HydrophobicContact CE-CD1 4.13Å; M219-I777 HydrophobicContact SD-CD1 3.79Å; M775-I777 PolarHBondContact O-N 2.82Å
778D31.5Very low32.8Very low121 Ų121160.7 Ų160.765%0.64778%0.784SS**  trans-76.4126.7177.6-172.617.7000110.7E776 H780E776-D778 VanDerWaalsContact C-N 3.26Å; E776-D778 PolarHBondContact O-N 3.06Å; E776-D778 VanDerWaalsContact O-N 3.11Å; D778-H780 VanDerWaalsContact C-N 3.28Å; D778-H780 PolarHBondContact O-N 2.91Å; D778-H780 VanDerWaalsContact O-N 3.08Å; D778-H780 IonicContact OD1-CD2 4Å; D778-H780 IonicContact OD2-CD2 2.73Å
779S30.1Very low32.9Very low111 Ų111159.7 Ų159.778%0.77679%0.786SS**  trans-89.845.7-165.458.80000113.6I781S779-I781 PolarHBondContact O-N 3.38Å
780H33.9Very low33.6Very low140 Ų140157.7 Ų157.765%0.64878%0.783SS**  trans-92.397.8-178.5-96.6-69.6000113.8D778 Y782D778-H780 VanDerWaalsContact C-N 3.28Å; D778-H780 PolarHBondContact O-N 2.91Å; D778-H780 VanDerWaalsContact O-N 3.08Å; D778-H780 IonicContact OD1-CD2 4Å; D778-H780 IonicContact OD2-CD2 2.73Å; H780-Y782 PolarHBondContact O-N 2.79Å
781I32.4Very low34Very low150 Ų150162.1 Ų162.177%0.76979%0.786SS**  trans-64.7111.5165.6-60.6173.3000108.7S779 Y783S779-I781 PolarHBondContact O-N 3.38Å; I781-Y783 HydrophobicContact CG2-CD2 4.36Å
782Y32.6Very low33.9Very low200 Ų200163.8 Ų163.878%0.78479%0.793SS**  trans-120.4103.1170.5-114.3-80.1000110.7H780 R784H780-Y782 PolarHBondContact O-N 2.79Å; Y782-R784 PolarHBondContact O-N 3.4Å
783Y27Very low34.5Very low223 Ų223161.1 Ų161.188%0.87579%0.792SS**  trans-63.8127160.3-89.1-97.6000108.6I781I781-Y783 HydrophobicContact CG2-CD2 4.36Å
784R32.8Very low34.6Very low240 Ų240164.4 Ų164.491%0.90680%0.804SS**  trans-127.3128.1169.6-156.8171-170.2171.23.9110.9Y782Y782-R784 PolarHBondContact O-N 3.4Å
785S35Very low34.8Very low115 Ų115165.7 Ų165.780%0.80482%0.816SS**PPolyproline II helixtrans-66.1155.5-168.5-46.90000113.9
786K32.2Very low35.1Very low199 Ų199163.2 Ų163.287%0.86582%0.822SS**PPolyproline II helixtrans-51.4137.2177.5-62.3178.8179.5179.80112.2
787P41.5Very low35.2Very low126 Ų126158.5 Ų158.582%0.81882%0.82SS**PPolyproline II helixtrans-66.5145.7163.230.1-33.5000110.3
788R34.7Very low35.5Very low246 Ų246158.8 Ų158.893%0.92883%0.83SS**PPolyproline II helixtrans-80.2151.4171.8-67.5-173.6179.1-162.90.8110.4
789L34Very low35.8Very low162 Ų162161 Ų16185%0.84884%0.84SS**PPolyproline II helixtrans-67.8146.7170.5-72.3162.7000110.8
790P47.5Very low36.2Very low122 Ų122159.9 Ų159.979%0.79284%0.839SS**PPolyproline II helixtrans-75.3143.7170.531.8-34000111.4
791E37.5Very low36.5Very low195 Ų195158.4 Ų158.491%0.91184%0.844SS**PPolyproline II helixtrans-83.2161176.6-63.7-170.4134.100112.6
792K31.9Very low36.8Very low198 Ų198156.4 Ų156.486%0.86184%0.843SS**PPolyproline II helixtrans-80.9138-172-61.3176.9-179.9177.90112.6
793P44.4Very low37.1Very low127 Ų127152.3 Ų152.383%0.82584%0.839SS**PPolyproline II helixtrans-70.1144.215931.2-33.1000110.7
794K34.8Very low37.5Very low205 Ų205150.9 Ų150.989%0.89184%0.837SS**PPolyproline II helixtrans-100.7124.2171.1-67.8175.2179.7173.10109.8
795C36.5Very low38.2Very low140 Ų140151.1 Ų151.195%0.94686%0.855SS**  trans-142.9154.4157.2-94.90000108.9
796A39.2Very low38.3Very low111 Ų111153 Ų15392%0.91786%0.858SS**  trans-105.9158.4-164.900000114
797G35.4Very low38.7Very low76 Ų76150.5 Ų150.578%0.78486%0.858SS**  trans152.698.8171.600000113.3
798P40.6Very low38.5Very low128 Ų128151.9 Ų151.983%0.83186%0.86SS**  trans-105.6135.7-17936.2-29.3000114
799L38.8Very low38.7Very low166 Ų166146.4 Ų146.487%0.86986%0.856SS**  trans-158.6118.8156.7-91.6158.9000104.4
800A38.8Very low39Very low89 Ų89145.4 Ų145.474%0.73686%0.856SS**  54.7125.785.200000113.2
801S40Very low38.5Very low109 Ų109146.9 Ų146.976%0.76286%0.86SS**  cis-165.51625.752.90000112.4
802S37.7Very low38.5Very low107 Ų107143.5 Ų143.575%0.74886%0.857SS**  trans61.2153.1150-115.80000120.3
803T38.9Very low39.1Very low114 Ų114139.3 Ų139.370%0.69986%0.857SS**  cis-149.9153.8-11.6-24.70000110.4
804K36.6Very low38.6Very low194 Ų194140.3 Ų140.384%0.84386%0.859SS**  trans-11.2133.2159.2-57.4169.7-179.2178.30117.8
805L46.1Very low39Very low245 Ų245134.5 Ų134.5100%1.28386%0.856SS**  -146.6090.5-138.7160.2000109.8

Retrieved 805 of 805 residues in 1736.2 ms (Link to these results)

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