X2JD82_DROME Loading...

Open rectifier K[+] channel 1, isoform D

AlphaFold DB (Q94526), UniProt , Accession X2JD82, Species DROME (Drosophila melanogaster, Fruit fly), Gene Ork1, Length 1,001 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
1M69.2Low89.7Confident162 Ų162107 Ų10780%0.79854%0.535SS*.  0145.80-165.9175.9-168.600107.4R5 W6 L9M1-R5 HydrophobicContact CE-CB 4.14Å; M1-R5 HydrophobicContact CG-CB 4Å; M1-W6 HydrophobicContact CE-CB 4.3Å; M1-W6 HydrophobicContact SD-CB 4Å; M1-L9 HydrophobicContact CE-CB 4.35Å; M1-L9 HydrophobicContact CE-CD1 4.04Å
2S88.2Confident90.1Very high54 Ų54110 Ų11038%0.37854%0.543SS..  trans-79.8149.4171.3580000110.1N4 R5 W6S2-N4 PolarHBondContact O-N 2.96Å; S2-R5 PolarHBondContact O-N 2.87Å; S2-R5 WeakPolarHBondContact OG-CG 3.48Å; S2-W6 PolarHBondContact O-N 2.82Å; S2-W6 VanDerWaalsContact O-N 3.16Å
3P91Very high90.4Very high88 Ų88111.5 Ų111.557%0.57154%0.54SS*.Hα-helixtrans-57.2-39.5179.421.2-32.2000111.5R5 W6 I7P3-R5 VanDerWaalsContact C-N 3.32Å; P3-R5 PolarHBondContact O-N 3.16Å; P3-W6 PolarHBondContact O-N 3.22Å; P3-I7 WeakPolarHBondContact O-CG1 3.3Å; P3-I7 PolarHBondContact O-N 3.17Å
4N91.7Very high90.9Very high113 Ų113109.9 Ų109.960%0.60453%0.534SS*.Hα-helixtrans-59.1-39.3176.1-53.737.7000112.6S2 L8S2-N4 PolarHBondContact O-N 2.96Å; N4-L8 WeakPolarHBondContact O-CB 3.18Å; N4-L8 VanDerWaalsContact O-CG 3.24Å; N4-L8 WeakPolarHBondContact O-CG 3.36Å; N4-L8 PolarHBondContact O-N 2.62Å
5R89.1Confident91.2Very high146 Ų146106.8 Ų106.855%0.55153%0.528SS*.Hα-helixtrans-67.7-36.2175.3-78.6-178178.6-136.8-4.5111.6M1 S2 P3 L9 E277M1-R5 HydrophobicContact CE-CB 4.14Å; M1-R5 HydrophobicContact CG-CB 4Å; S2-R5 PolarHBondContact O-N 2.87Å; S2-R5 WeakPolarHBondContact OG-CG 3.48Å; P3-R5 VanDerWaalsContact C-N 3.32Å; P3-R5 PolarHBondContact O-N 3.16Å; R5-L9 WeakPolarHBondContact O-CB 3.42Å; R5-L9 PolarHBondContact O-N 2.98Å; R5-L9 VanDerWaalsContact O-N 3.09Å; R5-E277 IonicContact NH1-OE1 3.22Å; R5-E277 IonicContact NH2-OE1 2.9Å
6W91.8Very high91.5Very high148 Ų148109.7 Ų109.756%0.56153%0.532SS*.Hα-helixtrans-70.1-43.7177.2-178.381000111.8M1 S2 P3 L9 L10M1-W6 HydrophobicContact CE-CB 4.3Å; M1-W6 HydrophobicContact SD-CB 4Å; S2-W6 PolarHBondContact O-N 2.82Å; S2-W6 VanDerWaalsContact O-N 3.16Å; P3-W6 PolarHBondContact O-N 3.22Å; W6-L9 PolarHBondContact O-N 3.06Å; W6-L10 HydrophobicContact CH2-CD2 3.93Å; W6-L10 HydrophobicContact CZ2-CD2 4.47Å; W6-L10 HydrophobicContact CZ3-CD2 4.09Å; W6-L10 WeakPolarHBondContact O-CB 3.32Å; W6-L10 PolarHBondContact O-N 3.24Å
7I93.9Very high91.8Very high80 Ų80108.4 Ų108.441%0.4153%0.528SS..Hα-helixtrans-61.9-43.6175.1-66.1166.8000111P3 L9 L10 I11P3-I7 WeakPolarHBondContact O-CG1 3.3Å; P3-I7 PolarHBondContact O-N 3.17Å; I7-L9 PolarHBondContact O-N 3.17Å; I7-L10 PolarHBondContact O-N 2.98Å; I7-I11 HydrophobicContact CG2-CD1 3.82Å; I7-I11 HydrophobicContact CG2-CG1 4.44Å; I7-I11 VanDerWaalsContact O-CG1 3.32Å; I7-I11 WeakPolarHBondContact O-CG1 3.46Å; I7-I11 PolarHBondContact O-N 3.1Å
8L92.6Very high92.1Very high117 Ų117109.6 Ų109.661%0.61353%0.534SS*.Hα-helixtrans-63.5-39.5176.1-74.1168.8000112.4N4 I11 F12N4-L8 WeakPolarHBondContact O-CB 3.18Å; N4-L8 VanDerWaalsContact O-CG 3.24Å; N4-L8 WeakPolarHBondContact O-CG 3.36Å; N4-L8 PolarHBondContact O-N 2.62Å; L8-I11 PolarHBondContact O-N 2.95Å; L8-F12 WeakPolarHBondContact O-CB 3.3Å; L8-F12 PolarHBondContact O-N 2.72Å
9L90.6Very high92.3Very high101 Ų101111.1 Ų111.153%0.52954%0.538SS..Hα-helixtrans-66.3-38.6174.6-171.8150.9000111.6M1 R5 W6 I7 F12 Y13M1-L9 HydrophobicContact CE-CB 4.35Å; M1-L9 HydrophobicContact CE-CD1 4.04Å; R5-L9 WeakPolarHBondContact O-CB 3.42Å; R5-L9 PolarHBondContact O-N 2.98Å; R5-L9 VanDerWaalsContact O-N 3.09Å; W6-L9 PolarHBondContact O-N 3.06Å; I7-L9 PolarHBondContact O-N 3.17Å; L9-F12 PolarHBondContact O-N 3.16Å; L9-Y13 WeakPolarHBondContact O-CB 3.47Å; L9-Y13 PolarHBondContact O-N 2.81Å
10L93.3Very high92.5Very high67 Ų67106.6 Ų106.635%0.35152%0.522SS..Hα-helixtrans-65-43.7175.5-179.363.2000112W6 I7 Y13 I14W6-L10 HydrophobicContact CH2-CD2 3.93Å; W6-L10 HydrophobicContact CZ2-CD2 4.47Å; W6-L10 HydrophobicContact CZ3-CD2 4.09Å; W6-L10 WeakPolarHBondContact O-CB 3.32Å; W6-L10 PolarHBondContact O-N 3.24Å; I7-L10 PolarHBondContact O-N 2.98Å; L10-Y13 PolarHBondContact O-N 3.18Å; L10-I14 HydrophobicContact CD1-CD1 4.13Å; L10-I14 HydrophobicContact CD1-CG1 4.45Å; L10-I14 HydrophobicContact CG-CD1 3.99Å; L10-I14 VanDerWaalsContact O-CG1 3.29Å; L10-I14 WeakPolarHBondContact O-CG1 3.5Å; L10-I14 PolarHBondContact O-N 2.89Å
11I95.3Very high92.7Very high101 Ų101104.1 Ų104.152%0.51852%0.518SS..Hα-helixtrans-62.1-45.6175.1-69.1165.8000110.4I7 L8 Y13 I14 S15I7-I11 HydrophobicContact CG2-CD1 3.82Å; I7-I11 HydrophobicContact CG2-CG1 4.44Å; I7-I11 VanDerWaalsContact O-CG1 3.32Å; I7-I11 WeakPolarHBondContact O-CG1 3.46Å; I7-I11 PolarHBondContact O-N 3.1Å; L8-I11 PolarHBondContact O-N 2.95Å; I11-Y13 PolarHBondContact O-N 3.4Å; I11-I14 PolarHBondContact O-N 2.78Å; I11-S15 PolarHBondContact O-N 2.95Å; I11-S15 PolarHBondContact O-OG 3.31Å
12F93.9Very high93.9Very high143 Ų14399.2 Ų99.263%0.62750%0.504SS*.Hα-helixtrans-58.5-47.2175.3176.4-101.9000111.7L8 L9 I14 S15 Y16L8-F12 WeakPolarHBondContact O-CB 3.3Å; L8-F12 PolarHBondContact O-N 2.72Å; L9-F12 PolarHBondContact O-N 3.16Å; F12-I14 PolarHBondContact O-N 2.99Å; F12-S15 WeakPolarHBondContact CA-OG 3.4Å; F12-S15 PolarHBondContact O-N 3.22Å; F12-S15 PolarHBondContact O-OG 3.37Å; F12-Y16 PolarHBondContact O-N 3.02Å
13Y94.9Very high94.3Very high129 Ų129100 Ų10051%0.50650%0.503SS..Hα-helixtrans-61.5-43.3177.4179.8-110.7000112.8L9 L10 I11 S15 Y16 L17L9-Y13 WeakPolarHBondContact O-CB 3.47Å; L9-Y13 PolarHBondContact O-N 2.81Å; L10-Y13 PolarHBondContact O-N 3.18Å; I11-Y13 PolarHBondContact O-N 3.4Å; Y13-S15 VanDerWaalsContact C-N 3.34Å; Y13-S15 PolarHBondContact O-N 3.39Å; Y13-Y16 PolarHBondContact O-N 3.42Å; Y13-L17 HydrophobicContact CD1-CD1 4.16Å; Y13-L17 HydrophobicContact CE1-CD1 3.59Å; Y13-L17 HydrophobicContact CE1-CG 4.28Å; Y13-L17 HydrophobicContact CE2-CD2 4.45Å; Y13-L17 HydrophobicContact CE2-CG 4.37Å; Y13-L17 WeakPolarHBondContact O-CG 3.19Å; Y13-L17 PolarHBondContact O-N 3.43Å
14I96.8Very high94.4Very high90 Ų90103.2 Ų103.246%0.46251%0.505SS..Hα-helixtrans-62.6-41.6174.7-68.3165.2000110.8L10 I11 F12 Y16 L17 M18L10-I14 HydrophobicContact CD1-CD1 4.13Å; L10-I14 HydrophobicContact CD1-CG1 4.45Å; L10-I14 HydrophobicContact CG-CD1 3.99Å; L10-I14 VanDerWaalsContact O-CG1 3.29Å; L10-I14 WeakPolarHBondContact O-CG1 3.5Å; L10-I14 PolarHBondContact O-N 2.89Å; I11-I14 PolarHBondContact O-N 2.78Å; F12-I14 PolarHBondContact O-N 2.99Å; I14-Y16 VanDerWaalsContact C-N 3.33Å; I14-Y16 PolarHBondContact O-N 3.33Å; I14-L17 PolarHBondContact O-N 2.74Å; I14-M18 WeakPolarHBondContact O-CG 3.46Å; I14-M18 PolarHBondContact O-N 3.21Å
15S95.8Very high94.6Very high63 Ų63105.2 Ų105.244%0.44151%0.505SS..Hα-helixtrans-64.7-35.8176.771.20000112.9I11 F12 Y13 M18 F19I11-S15 PolarHBondContact O-N 2.95Å; I11-S15 PolarHBondContact O-OG 3.31Å; F12-S15 WeakPolarHBondContact CA-OG 3.4Å; F12-S15 PolarHBondContact O-N 3.22Å; F12-S15 PolarHBondContact O-OG 3.37Å; Y13-S15 VanDerWaalsContact C-N 3.34Å; Y13-S15 PolarHBondContact O-N 3.39Å; S15-M18 PolarHBondContact O-N 3.11Å; S15-F19 WeakPolarHBondContact O-CB 3.13Å; S15-F19 PolarHBondContact O-N 3.5Å
16Y96.1Very high94.8Very high153 Ų153106 Ų10660%0.651%0.514SS*.Hα-helixtrans-66.1-42.2174.4-179.1-94.5000111.9F12 Y13 I14 F19 G20F12-Y16 PolarHBondContact O-N 3.02Å; Y13-Y16 PolarHBondContact O-N 3.42Å; I14-Y16 VanDerWaalsContact C-N 3.33Å; I14-Y16 PolarHBondContact O-N 3.33Å; Y16-F19 PolarHBondContact O-N 3.28Å; Y16-G20 PolarHBondContact O-N 3.07Å
17L96.3Very high94.9Very high88 Ų88103.6 Ų103.646%0.46151%0.512SS..Hα-helixtrans-63.7-42.8174-69.5179.3000112.3Y13 I14 F19 G20 A21Y13-L17 HydrophobicContact CD1-CD1 4.16Å; Y13-L17 HydrophobicContact CE1-CD1 3.59Å; Y13-L17 HydrophobicContact CE1-CG 4.28Å; Y13-L17 HydrophobicContact CE2-CD2 4.45Å; Y13-L17 HydrophobicContact CE2-CG 4.37Å; Y13-L17 WeakPolarHBondContact O-CG 3.19Å; Y13-L17 PolarHBondContact O-N 3.43Å; I14-L17 PolarHBondContact O-N 2.74Å; L17-F19 VanDerWaalsContact C-N 3.34Å; L17-F19 PolarHBondContact O-N 2.94Å; L17-G20 PolarHBondContact O-N 2.92Å; L17-A21 VanDerWaalsContact O-CB 3.32Å; L17-A21 WeakPolarHBondContact O-CB 3.4Å; L17-A21 PolarHBondContact O-N 3.09Å
18M96.4Very high94.9Very high129 Ų129105 Ų10564%0.63552%0.516SS*.Hα-helixtrans-63.1-39.3176-72.8-60.4-56.600112.3I14 S15 A21 A22I14-M18 WeakPolarHBondContact O-CG 3.46Å; I14-M18 PolarHBondContact O-N 3.21Å; S15-M18 PolarHBondContact O-N 3.11Å; M18-A21 PolarHBondContact O-N 2.99Å; M18-A22 WeakPolarHBondContact O-CB 3.47Å; M18-A22 PolarHBondContact O-N 3.41Å
19F96.5Very high94.8Very high139 Ų139101.7 Ų101.761%0.6150%0.498SS*.Hα-helixtrans-65-46.6175.8-179.7-110.2000111.9S15 Y16 L17 A21 A22 I23S15-F19 WeakPolarHBondContact O-CB 3.13Å; S15-F19 PolarHBondContact O-N 3.5Å; Y16-F19 PolarHBondContact O-N 3.28Å; L17-F19 VanDerWaalsContact C-N 3.34Å; L17-F19 PolarHBondContact O-N 2.94Å; F19-A21 PolarHBondContact O-N 2.97Å; F19-A22 PolarHBondContact O-N 3.43Å; F19-I23 HydrophobicContact CD1-CD1 3.96Å; F19-I23 HydrophobicContact CE1-CD1 3.57Å; F19-I23 HydrophobicContact CE2-CD1 4.31Å; F19-I23 HydrophobicContact CG-CD1 4.5Å; F19-I23 HydrophobicContact CZ-CD1 3.76Å; F19-I23 WeakPolarHBondContact O-CG1 3.34Å; F19-I23 PolarHBondContact O-N 3.47Å; F19-I23 VanDerWaalsContact O-N 3.14Å
20G96.2Very high94.7Very high20 Ų2098.5 Ų98.521%0.20649%0.489CS..Hα-helixtrans-60.9-43.5174.100000112.7Y16 L17 A22 I23 Y24Y16-G20 PolarHBondContact O-N 3.07Å; L17-G20 PolarHBondContact O-N 2.92Å; G20-A22 VanDerWaalsContact C-N 3.33Å; G20-A22 PolarHBondContact O-N 3.09Å; G20-I23 PolarHBondContact O-N 2.77Å; G20-Y24 WeakPolarHBondContact O-CD2 3.4Å; G20-Y24 PolarHBondContact O-N 3.2Å
21A96.2Very high94.6Very high55 Ų55101.2 Ų101.246%0.45550%0.5SS..Hα-helixtrans-61.5-38.8176.700000112.5L17 M18 F19 Y25L17-A21 VanDerWaalsContact O-CB 3.32Å; L17-A21 WeakPolarHBondContact O-CB 3.4Å; L17-A21 PolarHBondContact O-N 3.09Å; M18-A21 PolarHBondContact O-N 2.99Å; F19-A21 PolarHBondContact O-N 2.97Å; A21-Y25 WeakPolarHBondContact O-CB 3.36Å; A21-Y25 PolarHBondContact O-N 2.82Å
22A95.9Very high94.4Very high59 Ų5999.6 Ų99.649%0.48849%0.49SS..Hα-helixtrans-65.4-39.2175.800000112.6M18 F19 G20 H26M18-A22 WeakPolarHBondContact O-CB 3.47Å; M18-A22 PolarHBondContact O-N 3.41Å; F19-A22 PolarHBondContact O-N 3.43Å; G20-A22 VanDerWaalsContact C-N 3.33Å; G20-A22 PolarHBondContact O-N 3.09Å; A22-H26 PolarHBondContact O-N 2.84Å; A22-H26 VanDerWaalsContact O-N 3.08Å
23I96Very high94.2Very high71 Ų7198.4 Ų98.436%0.36449%0.485SS..Hα-helixtrans-63.1-56.6176.3-69.1166.9000110.5F19 G20 Y25 H26 I27F19-I23 HydrophobicContact CD1-CD1 3.96Å; F19-I23 HydrophobicContact CE1-CD1 3.57Å; F19-I23 HydrophobicContact CE2-CD1 4.31Å; F19-I23 HydrophobicContact CG-CD1 4.5Å; F19-I23 HydrophobicContact CZ-CD1 3.76Å; F19-I23 WeakPolarHBondContact O-CG1 3.34Å; F19-I23 PolarHBondContact O-N 3.47Å; F19-I23 VanDerWaalsContact O-N 3.14Å; G20-I23 PolarHBondContact O-N 2.77Å; I23-Y25 VanDerWaalsContact C-N 3.31Å; I23-Y25 PolarHBondContact O-N 3.13Å; I23-H26 PolarHBondContact O-N 3.49Å; I23-H26 VanDerWaalsContact O-N 3.14Å; I23-I27 HydrophobicContact CG2-CD1 3.77Å; I23-I27 WeakPolarHBondContact O-CG1 3.28Å; I23-I27 PolarHBondContact O-N 2.81Å; I23-I27 VanDerWaalsContact O-N 3.08Å
24Y93.6Very high94Very high156 Ų15696.1 Ų96.161%0.61248%0.481SS*.Hα-helixtrans-65-34.3-178.8-67.4-64.1000112.3G20 H26 I27 E28G20-Y24 WeakPolarHBondContact O-CD2 3.4Å; G20-Y24 PolarHBondContact O-N 3.2Å; Y24-H26 VanDerWaalsContact C-N 3.35Å; Y24-H26 PolarHBondContact O-N 3.39Å; Y24-I27 PolarHBondContact O-N 2.89Å; Y24-E28 WeakPolarHBondContact O-CB 3.46Å; Y24-E28 WeakPolarHBondContact O-CG 3.41Å; Y24-E28 PolarHBondContact O-N 3.22Å
25Y95.4Very high93.6Very high154 Ų15494.2 Ų94.260%0.60448%0.475SS*.Hα-helixtrans-64.2-36.7173.7-178.2-103.8000112.6A21 I23 H29A21-Y25 WeakPolarHBondContact O-CB 3.36Å; A21-Y25 PolarHBondContact O-N 2.82Å; I23-Y25 VanDerWaalsContact C-N 3.31Å; I23-Y25 PolarHBondContact O-N 3.13Å; Y25-H29 HydrophobicContact CD2-CB 4.06Å; Y25-H29 HydrophobicContact CE2-CB 4.02Å; Y25-H29 AromaticContact CE2-CD2 3.26Å; Y25-H29 WeakPolarHBondContact CE2-CD2 3.36Å; Y25-H29 AromaticContact CE2-CG 3.58Å; Y25-H29 AromaticContact CE2-NE2 3.72Å; Y25-H29 AromaticContact CZ-CD2 3.3Å; Y25-H29 AromaticContact CZ-NE2 3.77Å; Y25-H29 WeakPolarHBondContact O-CB 3.48Å; Y25-H29 PolarHBondContact OH-CD2 3.1Å; Y25-H29 PolarHBondContact OH-NE2 2.96Å
26H93.8Very high93.1Very high162 Ų16294.9 Ų94.975%0.7547%0.468SS*.Hα-helixtrans-75.5-31177.6-164.6-58.4000112.8A22 I23 Y24A22-H26 PolarHBondContact O-N 2.84Å; A22-H26 VanDerWaalsContact O-N 3.08Å; I23-H26 PolarHBondContact O-N 3.49Å; I23-H26 VanDerWaalsContact O-N 3.14Å; Y24-H26 VanDerWaalsContact C-N 3.35Å; Y24-H26 PolarHBondContact O-N 3.39Å
27I93.2Very high92.7Very high99 Ų9989.7 Ų89.751%0.50846%0.457SS..Hα-helixtrans-82.5-62.5-179-63.1171.2000110.4I23 Y24 H29I23-I27 HydrophobicContact CG2-CD1 3.77Å; I23-I27 WeakPolarHBondContact O-CG1 3.28Å; I23-I27 PolarHBondContact O-N 2.81Å; I23-I27 VanDerWaalsContact O-N 3.08Å; Y24-I27 PolarHBondContact O-N 2.89Å; I27-H29 PolarHBondContact O-N 3.48Å
28E93.3Very high92.3Very high109 Ų10990.9 Ų90.951%0.50946%0.46SS..Hα-helixtrans-72.7-31.1-168.6-54.6-56.3143.200113.1Y24 G30 E31 E32Y24-E28 WeakPolarHBondContact O-CB 3.46Å; Y24-E28 WeakPolarHBondContact O-CG 3.41Å; Y24-E28 PolarHBondContact O-N 3.22Å; E28-G30 PolarHBondContact O-N 3.49Å; E28-E31 PolarHBondContact O-N 3.3Å; E28-E32 VanDerWaalsContact O-CB 3.22Å; E28-E32 WeakPolarHBondContact O-CB 3.15Å; E28-E32 PolarHBondContact O-N 3.06Å
29H90.5Very high91.6Very high48 Ų4889.6 Ų89.622%0.22245%0.452CS..Hα-helixtrans-76.1-6.8-174.4-16753.2000114.1Y25 I27 E32 K33Y25-H29 HydrophobicContact CD2-CB 4.06Å; Y25-H29 HydrophobicContact CE2-CB 4.02Å; Y25-H29 AromaticContact CE2-CD2 3.26Å; Y25-H29 WeakPolarHBondContact CE2-CD2 3.36Å; Y25-H29 AromaticContact CE2-CG 3.58Å; Y25-H29 AromaticContact CE2-NE2 3.72Å; Y25-H29 AromaticContact CZ-CD2 3.3Å; Y25-H29 AromaticContact CZ-NE2 3.77Å; Y25-H29 WeakPolarHBondContact O-CB 3.48Å; Y25-H29 PolarHBondContact OH-CD2 3.1Å; Y25-H29 PolarHBondContact OH-NE2 2.96Å; I27-H29 PolarHBondContact O-N 3.48Å; H29-E32 IonicContact CE1-OE2 2.67Å; H29-E32 IonicContact ND1-OE2 3.09Å; H29-E32 PolarHBondContact ND1-OE2 2.86Å; H29-K33 PolarHBondContact CD2-NZ 3.49Å; H29-K33 VanDerWaalsContact CE1-CE 3.47Å; H29-K33 WeakPolarHBondContact CE1-CE 3.16Å; H29-K33 WeakPolarHBondContact NE2-CE 3.18Å; H29-K33 PolarHBondContact NE2-NZ 3.22Å; H29-K33 VanDerWaalsContact O-CD 3.31Å; H29-K33 WeakPolarHBondContact O-CD 3.5Å; H29-K33 WeakPolarHBondContact O-CE 3.39Å; H29-K33 WeakPolarHBondContact O-CG 3.32Å
30G90.2Very high90.6Very high33 Ų3390.5 Ų90.534%0.3445%0.452SS..Hα-helixtrans-76.3-63.1165.500000110.2E28 E32 K33 I34E28-G30 PolarHBondContact O-N 3.49Å; G30-E32 VanDerWaalsContact C-N 3.3Å; G30-E32 PolarHBondContact O-N 2.76Å; G30-K33 WeakPolarHBondContact O-CB 3.42Å; G30-K33 PolarHBondContact O-N 3.39Å; G30-I34 PolarHBondContact O-N 3.47Å
31E90Very high90Very high124 Ų12496.8 Ų96.858%0.57947%0.473SS*.Hα-helixtrans-59.2-37.5179.4-60.2-51.4129.700112.7E28 K33 I34 S35E28-E31 PolarHBondContact O-N 3.3Å; E31-K33 VanDerWaalsContact C-N 3.25Å; E31-K33 PolarHBondContact O-N 3.18Å; E31-I34 PolarHBondContact O-N 2.78Å; E31-S35 WeakPolarHBondContact O-CB 3.12Å; E31-S35 PolarHBondContact O-N 2.76Å
32E90.4Very high89.2Confident67 Ų6796.5 Ų96.531%0.31347%0.471SS..Hα-helixtrans-55.6-39.8174.1-179.3-174.1-145.600111.9E28 H29 G30 R36E28-E32 VanDerWaalsContact O-CB 3.22Å; E28-E32 WeakPolarHBondContact O-CB 3.15Å; E28-E32 PolarHBondContact O-N 3.06Å; H29-E32 IonicContact CE1-OE2 2.67Å; H29-E32 IonicContact ND1-OE2 3.09Å; H29-E32 PolarHBondContact ND1-OE2 2.86Å; G30-E32 VanDerWaalsContact C-N 3.3Å; G30-E32 PolarHBondContact O-N 2.76Å; E32-R36 HydrophobicContact CG-CG 4.3Å; E32-R36 VanDerWaalsContact CG-NE 3.33Å; E32-R36 WeakPolarHBondContact O-CB 3.46Å; E32-R36 WeakPolarHBondContact O-CG 3.47Å; E32-R36 PolarHBondContact O-N 3.5Å; E32-R36 IonicContact OE1-CZ 3.87Å; E32-R36 VanDerWaalsContact OE1-CZ 3.22Å; E32-R36 IonicContact OE1-NE 3.36Å; E32-R36 PolarHBondContact OE1-NE 3.28Å; E32-R36 VanDerWaalsContact OE1-NE 3.09Å; E32-R36 IonicContact OE1-NH2 3.13Å; E32-R36 PolarHBondContact OE1-NH2 3.17Å
33K89.9Confident88.2Confident118 Ų118100 Ų10051%0.51348%0.477SS..Hα-helixtrans-71.5-40.8179.5-72.3168.5-174.5149.40111.6H29 G30 E31 A37H29-K33 PolarHBondContact CD2-NZ 3.49Å; H29-K33 VanDerWaalsContact CE1-CE 3.47Å; H29-K33 WeakPolarHBondContact CE1-CE 3.16Å; H29-K33 WeakPolarHBondContact NE2-CE 3.18Å; H29-K33 PolarHBondContact NE2-NZ 3.22Å; H29-K33 VanDerWaalsContact O-CD 3.31Å; H29-K33 WeakPolarHBondContact O-CD 3.5Å; H29-K33 WeakPolarHBondContact O-CE 3.39Å; H29-K33 WeakPolarHBondContact O-CG 3.32Å; G30-K33 WeakPolarHBondContact O-CB 3.42Å; G30-K33 PolarHBondContact O-N 3.39Å; E31-K33 VanDerWaalsContact C-N 3.25Å; E31-K33 PolarHBondContact O-N 3.18Å; K33-A37 WeakPolarHBondContact O-CB 3.34Å; K33-A37 PolarHBondContact O-N 3.45Å
34I91.8Very high87.2Confident82 Ų82101.1 Ų101.142%0.42148%0.483SS..Hα-helixtrans-65.2-56.8178.6-61.7171.2000108.7G30 E31 R36 A37 E38G30-I34 PolarHBondContact O-N 3.47Å; E31-I34 PolarHBondContact O-N 2.78Å; I34-R36 PolarHBondContact O-N 2.77Å; I34-A37 CarbonylContact O-C 3.5Å; I34-A37 WeakPolarHBondContact O-CA 3.48Å; I34-A37 WeakPolarHBondContact O-CB 3.38Å; I34-A37 PolarHBondContact O-N 3.49Å; I34-E38 WeakPolarHBondContact O-CG 3.15Å; I34-E38 PolarHBondContact O-N 2.76Å
35S88.6Confident86.7Confident50 Ų5096.3 Ų96.335%0.3548%0.475SS..Hα-helixtrans-60.7-40.7-179.3-167.50000112.8E31 A37 E38 Q39E31-S35 WeakPolarHBondContact O-CB 3.12Å; E31-S35 PolarHBondContact O-N 2.76Å; S35-A37 VanDerWaalsContact C-N 3.34Å; S35-A37 PolarHBondContact O-N 2.92Å; S35-E38 PolarHBondContact O-N 3.18Å; S35-Q39 VanDerWaalsContact O-CB 3.32Å; S35-Q39 WeakPolarHBondContact O-CB 3.46Å; S35-Q39 WeakPolarHBondContact O-CG 3.3Å; S35-Q39 PolarHBondContact O-N 2.89Å; S35-Q39 PolarHBondContact OG-NE2 2.72Å; S35-Q39 VanDerWaalsContact OG-NE2 3.15Å
36R84.6Confident85.7Confident77 Ų7793.8 Ų93.829%0.29147%0.471SS..Hα-helixtrans-68.5-29.7173.8-72.3176-178.5-126.714.6113.2E32 I34 R40 I974E32-R36 HydrophobicContact CG-CG 4.3Å; E32-R36 VanDerWaalsContact CG-NE 3.33Å; E32-R36 WeakPolarHBondContact O-CB 3.46Å; E32-R36 WeakPolarHBondContact O-CG 3.47Å; E32-R36 PolarHBondContact O-N 3.5Å; E32-R36 IonicContact OE1-CZ 3.87Å; E32-R36 VanDerWaalsContact OE1-CZ 3.22Å; E32-R36 IonicContact OE1-NE 3.36Å; E32-R36 PolarHBondContact OE1-NE 3.28Å; E32-R36 VanDerWaalsContact OE1-NE 3.09Å; E32-R36 IonicContact OE1-NH2 3.13Å; E32-R36 PolarHBondContact OE1-NH2 3.17Å; I34-R36 PolarHBondContact O-N 2.77Å; R36-R40 VanDerWaalsContact O-CB 3.29Å; R36-R40 WeakPolarHBondContact O-CB 3.05Å; R36-R40 PolarHBondContact O-N 2.79Å; R36-R40 VanDerWaalsContact O-N 3.09Å; R36-I974 PolarHBondContact NH1-O 2.83Å; R36-I974 PolarHBondContact NH2-O 3.38Å
37A88Confident84.8Confident44 Ų4490.5 Ų90.536%0.36446%0.459SS..Hα-helixtrans-72.8-39.1174.100000111.3K33 I34 S35 R40 K41K33-A37 WeakPolarHBondContact O-CB 3.34Å; K33-A37 PolarHBondContact O-N 3.45Å; I34-A37 CarbonylContact O-C 3.5Å; I34-A37 WeakPolarHBondContact O-CA 3.48Å; I34-A37 WeakPolarHBondContact O-CB 3.38Å; I34-A37 PolarHBondContact O-N 3.49Å; S35-A37 VanDerWaalsContact C-N 3.34Å; S35-A37 PolarHBondContact O-N 2.92Å; A37-R40 PolarHBondContact O-N 3.43Å; A37-K41 WeakPolarHBondContact O-CB 3.32Å; A37-K41 VanDerWaalsContact O-CG 3.3Å; A37-K41 WeakPolarHBondContact O-CG 3.34Å; A37-K41 PolarHBondContact O-N 3.36Å
38E88.7Confident84.1Confident112 Ų11291.6 Ų91.652%0.52346%0.462SS..Hα-helixtrans-67-48.1174.5-70.4172.116700112I34 S35 R40 K41 A42I34-E38 WeakPolarHBondContact O-CG 3.15Å; I34-E38 PolarHBondContact O-N 2.76Å; S35-E38 PolarHBondContact O-N 3.18Å; E38-R40 VanDerWaalsContact C-N 3.27Å; E38-R40 PolarHBondContact O-N 2.95Å; E38-K41 WeakPolarHBondContact O-CB 3.34Å; E38-K41 PolarHBondContact O-N 3.41Å; E38-K41 VanDerWaalsContact O-N 3.12Å; E38-A42 WeakPolarHBondContact O-CB 3.4Å; E38-A42 PolarHBondContact O-N 3.24Å
39Q80.5Confident83.1Confident102 Ų10292.8 Ų92.848%0.47746%0.463SS..Hα-helixtrans-56.6-41.1173.1-72.4169.323.700111.5S35 A42 Q43S35-Q39 VanDerWaalsContact O-CB 3.32Å; S35-Q39 WeakPolarHBondContact O-CB 3.46Å; S35-Q39 WeakPolarHBondContact O-CG 3.3Å; S35-Q39 PolarHBondContact O-N 2.89Å; S35-Q39 PolarHBondContact OG-NE2 2.72Å; S35-Q39 VanDerWaalsContact OG-NE2 3.15Å; Q39-A42 PolarHBondContact O-N 2.84Å; Q39-Q43 WeakPolarHBondContact O-CB 3.34Å; Q39-Q43 VanDerWaalsContact O-CG 3.25Å; Q39-Q43 WeakPolarHBondContact O-CG 3.32Å; Q39-Q43 PolarHBondContact O-N 2.93Å
40R76Confident82.1Confident159 Ų15992.3 Ų92.360%0.646%0.462SS*.Hα-helixtrans-67.5-42.2175.1-171.5-174.4-59.61594112.2R36 A37 E38 Q43 I44R36-R40 VanDerWaalsContact O-CB 3.29Å; R36-R40 WeakPolarHBondContact O-CB 3.05Å; R36-R40 PolarHBondContact O-N 2.79Å; R36-R40 VanDerWaalsContact O-N 3.09Å; A37-R40 PolarHBondContact O-N 3.43Å; E38-R40 VanDerWaalsContact C-N 3.27Å; E38-R40 PolarHBondContact O-N 2.95Å; R40-Q43 PolarHBondContact O-N 2.68Å; R40-I44 HydrophobicContact CG-CD1 3.89Å; R40-I44 HydrophobicContact CG-CG1 4.43Å; R40-I44 WeakPolarHBondContact O-CB 3.42Å; R40-I44 VanDerWaalsContact O-CG1 3.28Å; R40-I44 WeakPolarHBondContact O-CG1 3.46Å; R40-I44 PolarHBondContact O-N 3.15Å
41K83.9Confident81.2Confident151 Ų15196.2 Ų96.266%0.65747%0.474SS*.Hα-helixtrans-60-45.6174.6-77.3172.3178.1-178.20111A37 E38 I44 A45A37-K41 WeakPolarHBondContact O-CB 3.32Å; A37-K41 VanDerWaalsContact O-CG 3.3Å; A37-K41 WeakPolarHBondContact O-CG 3.34Å; A37-K41 PolarHBondContact O-N 3.36Å; E38-K41 WeakPolarHBondContact O-CB 3.34Å; E38-K41 PolarHBondContact O-N 3.41Å; E38-K41 VanDerWaalsContact O-N 3.12Å; K41-I44 PolarHBondContact O-N 3.31Å; K41-A45 WeakPolarHBondContact O-CB 3.39Å; K41-A45 PolarHBondContact O-N 2.87Å
42A78.5Confident80.6Confident49 Ų4997.8 Ų97.841%0.40548%0.482SS..Hα-helixtrans-62.7-44.4176.600000111.8E38 Q39 I44 A45 I46E38-A42 WeakPolarHBondContact O-CB 3.4Å; E38-A42 PolarHBondContact O-N 3.24Å; Q39-A42 PolarHBondContact O-N 2.84Å; A42-I44 PolarHBondContact O-N 2.76Å; A42-A45 PolarHBondContact O-N 3.27Å; A42-I46 WeakPolarHBondContact O-CB 3.47Å; A42-I46 WeakPolarHBondContact O-CD1 3.44Å; A42-I46 WeakPolarHBondContact O-CG1 3.32Å; A42-I46 PolarHBondContact O-N 3.46Å
43Q75Confident79.7Confident133 Ų13398 Ų9862%0.62148%0.483SS*.Hα-helixtrans-61.7-41.3174.7-76.9172-6.300112.7Q39 R40 N47Q39-Q43 WeakPolarHBondContact O-CB 3.34Å; Q39-Q43 VanDerWaalsContact O-CG 3.25Å; Q39-Q43 WeakPolarHBondContact O-CG 3.32Å; Q39-Q43 PolarHBondContact O-N 2.93Å; R40-Q43 PolarHBondContact O-N 2.68Å; Q43-N47 WeakPolarHBondContact O-CB 3.48Å; Q43-N47 PolarHBondContact O-N 3.05Å
44I76.1Confident78.6Confident94 Ų9493.3 Ų93.348%0.48246%0.463SS..Hα-helixtrans-65.8-50.1175.9-69.5167.7000110R40 K41 A42 I46 N47 E48R40-I44 HydrophobicContact CG-CD1 3.89Å; R40-I44 HydrophobicContact CG-CG1 4.43Å; R40-I44 WeakPolarHBondContact O-CB 3.42Å; R40-I44 VanDerWaalsContact O-CG1 3.28Å; R40-I44 WeakPolarHBondContact O-CG1 3.46Å; R40-I44 PolarHBondContact O-N 3.15Å; K41-I44 PolarHBondContact O-N 3.31Å; A42-I44 PolarHBondContact O-N 2.76Å; I44-I46 VanDerWaalsContact C-N 3.35Å; I44-I46 PolarHBondContact O-N 2.8Å; I44-N47 CarbonylContact O-C 3.47Å; I44-N47 PolarHBondContact O-N 3.27Å; I44-N47 VanDerWaalsContact O-N 3.1Å; I44-E48 VanDerWaalsContact O-CB 3.22Å; I44-E48 WeakPolarHBondContact O-CB 3.49Å; I44-E48 PolarHBondContact O-N 2.77Å
45A81.9Confident77.4Confident55 Ų5592.1 Ų92.146%0.45547%0.471SS..Hα-helixtrans-61.3-39.6-179.700000112.8K41 A42 Y49K41-A45 WeakPolarHBondContact O-CB 3.39Å; K41-A45 PolarHBondContact O-N 2.87Å; A42-A45 PolarHBondContact O-N 3.27Å; A45-Y49 WeakPolarHBondContact O-CB 3.27Å; A45-Y49 PolarHBondContact O-N 3.1Å
46I75Confident76.4Confident101 Ų10198 Ų9852%0.51850%0.499SS..Hα-helixtrans-65-44.3173.3-69.6164.5000110.4A42 I44 L50A42-I46 WeakPolarHBondContact O-CB 3.47Å; A42-I46 WeakPolarHBondContact O-CD1 3.44Å; A42-I46 WeakPolarHBondContact O-CG1 3.32Å; A42-I46 PolarHBondContact O-N 3.46Å; I44-I46 VanDerWaalsContact C-N 3.35Å; I44-I46 PolarHBondContact O-N 2.8Å; I46-L50 HydrophobicContact CG2-CD1 3.96Å; I46-L50 HydrophobicContact CG2-CG 4.48Å; I46-L50 VanDerWaalsContact O-CB 3.3Å; I46-L50 WeakPolarHBondContact O-CB 3.47Å; I46-L50 WeakPolarHBondContact O-CG 3.35Å; I46-L50 PolarHBondContact O-N 3.22Å
47N74.2Confident75.5Confident93 Ų9397.6 Ų97.650%0.49750%0.499SS..Hα-helixtrans-69.9-32.6179.5-175.788.8000112.9Q43 I44 L51Q43-N47 WeakPolarHBondContact O-CB 3.48Å; Q43-N47 PolarHBondContact O-N 3.05Å; I44-N47 CarbonylContact O-C 3.47Å; I44-N47 PolarHBondContact O-N 3.27Å; I44-N47 VanDerWaalsContact O-N 3.1Å; N47-L51 WeakPolarHBondContact ND2-CD1 3.28Å; N47-L51 WeakPolarHBondContact O-CB 3.29Å; N47-L51 WeakPolarHBondContact O-CG 3.4Å; N47-L51 PolarHBondContact O-N 3.05Å
48E78.2Confident74.6Confident123 Ų123100.9 Ų100.958%0.57551%0.51SS*.Hα-helixtrans-71.6-48.8176.2-173.9166.2-15400110.6I44 L50 L51 E52I44-E48 VanDerWaalsContact O-CB 3.22Å; I44-E48 WeakPolarHBondContact O-CB 3.49Å; I44-E48 PolarHBondContact O-N 2.77Å; E48-L50 VanDerWaalsContact C-N 3.31Å; E48-L50 PolarHBondContact O-N 2.85Å; E48-L51 PolarHBondContact O-N 3.1Å; E48-L51 VanDerWaalsContact O-N 3.09Å; E48-E52 WeakPolarHBondContact O-CB 3.29Å; E48-E52 PolarHBondContact O-N 2.98Å
49Y72.8Confident73.6Confident134 Ų13499.6 Ų99.653%0.52551%0.511SS..Hα-helixtrans-57.7-41.1171.4180-99.1000112.2A45 E53A45-Y49 WeakPolarHBondContact O-CB 3.27Å; A45-Y49 PolarHBondContact O-N 3.1Å; Y49-E53 WeakPolarHBondContact O-CB 3.48Å; Y49-E53 PolarHBondContact O-N 3.15Å
50L70.3Confident73.1Confident37 Ų3798.9 Ų98.919%0.19451%0.513CS..Hα-helixtrans-67-39.8173.7-74.2173.7000112.2I46 E48 L54 L66I46-L50 HydrophobicContact CG2-CD1 3.96Å; I46-L50 HydrophobicContact CG2-CG 4.48Å; I46-L50 VanDerWaalsContact O-CB 3.3Å; I46-L50 WeakPolarHBondContact O-CB 3.47Å; I46-L50 WeakPolarHBondContact O-CG 3.35Å; I46-L50 PolarHBondContact O-N 3.22Å; E48-L50 VanDerWaalsContact C-N 3.31Å; E48-L50 PolarHBondContact O-N 2.85Å; L50-L54 HydrophobicContact CD2-CD1 3.88Å; L50-L54 HydrophobicContact CD2-CD2 4.14Å; L50-L54 WeakPolarHBondContact O-CB 3.5Å; L50-L54 WeakPolarHBondContact O-CD1 3.28Å; L50-L54 PolarHBondContact O-N 3.38Å; L50-L66 HydrophobicContact CD1-CD2 4.45Å; L50-L66 HydrophobicContact CD2-CD2 3.63Å
51L70.7Confident72.8Confident115 Ų11593.7 Ų93.760%0.60250%0.499SS*.Hα-helixtrans-68.4-37.9177.8-79168.8000112.6N47 E48 G55N47-L51 WeakPolarHBondContact ND2-CD1 3.28Å; N47-L51 WeakPolarHBondContact O-CB 3.29Å; N47-L51 WeakPolarHBondContact O-CG 3.4Å; N47-L51 PolarHBondContact O-N 3.05Å; E48-L51 PolarHBondContact O-N 3.1Å; E48-L51 VanDerWaalsContact O-N 3.09Å; L51-G55 VanDerWaalsContact O-CA 3.27Å; L51-G55 WeakPolarHBondContact O-CA 3.2Å; L51-G55 PolarHBondContact O-N 3.26Å
52E77.4Confident72.1Confident157 Ų15789.3 Ų89.373%0.73448%0.481SS*.Hα-helixtrans-66.6-50.5174.3-174.7172.8-157.200110.9E48E48-E52 WeakPolarHBondContact O-CB 3.29Å; E48-E52 PolarHBondContact O-N 2.98Å
53E70.7Confident71.6Confident73 Ų7391.8 Ų91.834%0.34149%0.487SS..Hα-helixtrans-80.1-21-173-171.158.1-156.900113.4Y49 K57 I65Y49-E53 WeakPolarHBondContact O-CB 3.48Å; Y49-E53 PolarHBondContact O-N 3.15Å; E53-K57 VanDerWaalsContact O-CD 3.23Å; E53-K57 WeakPolarHBondContact O-CD 3.42Å; E53-K57 VanDerWaalsContact O-CE 3.26Å; E53-K57 WeakPolarHBondContact O-CE 3.37Å; E53-K57 PolarHBondContact O-NZ 3.23Å; E53-K57 IonicContact OE1-NZ 2.65Å; E53-K57 PolarHBondContact OE1-NZ 3.39Å; E53-K57 IonicContact OE2-NZ 3.3Å; E53-K57 PolarHBondContact OE2-NZ 3.34Å; E53-I65 HydrophobicContact CG-CD1 4.33Å
54L67.8Low71.5Confident18 Ų1889.6 Ų89.69%0.09448%0.477CS..Hα-helixtrans-108.8-14.6179-73.255.1000114L50 D56 K57 Q62 I65 L66L50-L54 HydrophobicContact CD2-CD1 3.88Å; L50-L54 HydrophobicContact CD2-CD2 4.14Å; L50-L54 WeakPolarHBondContact O-CB 3.5Å; L50-L54 WeakPolarHBondContact O-CD1 3.28Å; L50-L54 PolarHBondContact O-N 3.38Å; L54-D56 PolarHBondContact O-N 3.09Å; L54-K57 PolarHBondContact O-N 3.3Å; L54-Q62 HydrophobicContact CB-CG 3.86Å; L54-Q62 HydrophobicContact CD2-CB 3.77Å; L54-Q62 HydrophobicContact CD2-CG 4.01Å; L54-Q62 HydrophobicContact CG-CB 3.94Å; L54-Q62 HydrophobicContact CG-CG 3.81Å; L54-Q62 PolarHBondContact O-NE2 3.18Å; L54-I65 HydrophobicContact CD1-CD1 4.5Å; L54-I65 HydrophobicContact CD1-CG2 4.07Å; L54-L66 HydrophobicContact CD2-CD1 4Å; L54-L66 HydrophobicContact CD2-CG 4.3Å
55G67.6Low71.4Confident57 Ų5786.4 Ų86.459%0.58846%0.461SS*.THydrogen-bonded Turntrans-57.7-40.6-169.400000114.9L51L51-G55 VanDerWaalsContact O-CA 3.27Å; L51-G55 WeakPolarHBondContact O-CA 3.2Å; L51-G55 PolarHBondContact O-N 3.26Å
56D67.3Low70.7Confident174 Ų17484.7 Ų84.793%0.9344%0.444SS*.THydrogen-bonded Turntrans-92.22.7179.4-72.7-21.9000113.7L54L54-D56 PolarHBondContact O-N 3.09Å
57K64.5Low70.4Confident69 Ų6985.3 Ų85.330%0.345%0.445SS..SBendtrans-111.3139-166.3-62.3-175.5-169.7143.40113.4E53 L54 T61 Q62 I65E53-K57 VanDerWaalsContact O-CD 3.23Å; E53-K57 WeakPolarHBondContact O-CD 3.42Å; E53-K57 VanDerWaalsContact O-CE 3.26Å; E53-K57 WeakPolarHBondContact O-CE 3.37Å; E53-K57 PolarHBondContact O-NZ 3.23Å; E53-K57 IonicContact OE1-NZ 2.65Å; E53-K57 PolarHBondContact OE1-NZ 3.39Å; E53-K57 IonicContact OE2-NZ 3.3Å; E53-K57 PolarHBondContact OE2-NZ 3.34Å; L54-K57 PolarHBondContact O-N 3.3Å; K57-T61 HydrophobicContact CB-CG2 4.46Å; K57-T61 HydrophobicContact CD-CG2 3.99Å; K57-Q62 PolarHBondContact O-NE2 2.98Å; K57-Q62 VanDerWaalsContact O-NE2 3.1Å; K57-I65 HydrophobicContact CD-CD1 3.98Å
58N70.1Confident70.3Confident112 Ų11288.6 Ų88.660%0.59945%0.45SS*.  trans-58.8148.6175.3-170.529.3000111.5T60 T61 Q62N58-T60 PolarHBondContact ND2-OG1 3.02Å; N58-T60 PolarHBondContact O-N 3.36Å; N58-T60 VanDerWaalsContact O-N 3.08Å; N58-T61 WeakPolarHBondContact O-CB 3.47Å; N58-T61 PolarHBondContact O-N 3.32Å; N58-Q62 PolarHBondContact O-N 2.96Å
59T67.8Low69.9Low86 Ų8684.9 Ų84.953%0.52843%0.434SS..Hα-helixtrans-54.8-36.3-171.856.60000113.3T61 Q62 D63T59-T61 PolarHBondContact O-N 3.37Å; T59-Q62 WeakPolarHBondContact O-CA 3.43Å; T59-Q62 WeakPolarHBondContact O-CB 3.43Å; T59-Q62 PolarHBondContact O-N 3.02Å; T59-D63 PolarHBondContact O-N 3.19Å
60T68.8Low69.5Low86 Ų8679.4 Ų79.453%0.52842%0.415SS..Hα-helixtrans-56.2-36.2175.353.50000113.6N58 E64N58-T60 PolarHBondContact ND2-OG1 3.02Å; N58-T60 PolarHBondContact O-N 3.36Å; N58-T60 VanDerWaalsContact O-N 3.08Å; T60-E64 PolarHBondContact O-N 3.48Å
61T71Confident69.4Low51 Ų5182.8 Ų82.831%0.31343%0.433SS..Hα-helixtrans-83.7-27.4179-500000111.2K57 N58 T59 I65K57-T61 HydrophobicContact CB-CG2 4.46Å; K57-T61 HydrophobicContact CD-CG2 3.99Å; N58-T61 WeakPolarHBondContact O-CB 3.47Å; N58-T61 PolarHBondContact O-N 3.32Å; T59-T61 PolarHBondContact O-N 3.37Å; T61-I65 HydrophobicContact CG2-CD1 4.07Å; T61-I65 WeakPolarHBondContact O-CB 3.38Å; T61-I65 WeakPolarHBondContact O-CD1 3.49Å; T61-I65 VanDerWaalsContact O-CG1 3.24Å; T61-I65 WeakPolarHBondContact O-CG1 3.34Å; T61-I65 PolarHBondContact O-N 3.46Å
62Q68.4Low69.2Low58 Ų5886.8 Ų86.827%0.27144%0.442SS..Hα-helixtrans-63.1-49.3169.6-54.6-173.1-16.100110.3L54 K57 N58 T59 E64 I65 L66L54-Q62 HydrophobicContact CB-CG 3.86Å; L54-Q62 HydrophobicContact CD2-CB 3.77Å; L54-Q62 HydrophobicContact CD2-CG 4.01Å; L54-Q62 HydrophobicContact CG-CB 3.94Å; L54-Q62 HydrophobicContact CG-CG 3.81Å; L54-Q62 PolarHBondContact O-NE2 3.18Å; K57-Q62 PolarHBondContact O-NE2 2.98Å; K57-Q62 VanDerWaalsContact O-NE2 3.1Å; N58-Q62 PolarHBondContact O-N 2.96Å; T59-Q62 WeakPolarHBondContact O-CA 3.43Å; T59-Q62 WeakPolarHBondContact O-CB 3.43Å; T59-Q62 PolarHBondContact O-N 3.02Å; Q62-E64 PolarHBondContact O-N 3.06Å; Q62-I65 PolarHBondContact O-N 3.45Å; Q62-L66 WeakPolarHBondContact O-CB 3.33Å; Q62-L66 WeakPolarHBondContact O-CD1 3.22Å; Q62-L66 WeakPolarHBondContact O-CG 3.39Å; Q62-L66 PolarHBondContact O-N 3.3Å
63D67.9Low68.5Low101 Ų10182.2 Ų82.254%0.5443%0.426SS..Hα-helixtrans-59.2-43.4176.1-70.4-37.8000111.9T59 L66 Q67T59-D63 PolarHBondContact O-N 3.19Å; D63-L66 PolarHBondContact O-N 3.23Å; D63-Q67 WeakPolarHBondContact O-CB 3.35Å; D63-Q67 PolarHBondContact O-N 2.98Å
64E74Confident67.7Low87 Ų8786.1 Ų86.141%0.40745%0.45SS..Hα-helixtrans-63.5-43.7177.4-166.4-168.1166.900112.8T60 Q62 Q67 R68T60-E64 PolarHBondContact O-N 3.48Å; Q62-E64 PolarHBondContact O-N 3.06Å; E64-Q67 PolarHBondContact O-N 3.18Å; E64-R68 WeakPolarHBondContact O-CG 3.46Å; E64-R68 PolarHBondContact O-N 3.27Å; E64-R68 IonicContact OE1-CZ 3.64Å; E64-R68 VanDerWaalsContact OE1-CZ 3.3Å; E64-R68 IonicContact OE1-NE 3.18Å; E64-R68 PolarHBondContact OE1-NE 3.12Å; E64-R68 IonicContact OE1-NH2 3.89Å; E64-R68 PolarHBondContact OE1-NH2 3.14Å
65I72.2Confident66.9Low27 Ų2792.4 Ų92.414%0.13848%0.476CS..Hα-helixtrans-64.7-43.8177.2-70.8166.4000110.2E53 L54 K57 T61 Q62 Q67 R68 I69E53-I65 HydrophobicContact CG-CD1 4.33Å; L54-I65 HydrophobicContact CD1-CD1 4.5Å; L54-I65 HydrophobicContact CD1-CG2 4.07Å; K57-I65 HydrophobicContact CD-CD1 3.98Å; T61-I65 HydrophobicContact CG2-CD1 4.07Å; T61-I65 WeakPolarHBondContact O-CB 3.38Å; T61-I65 WeakPolarHBondContact O-CD1 3.49Å; T61-I65 VanDerWaalsContact O-CG1 3.24Å; T61-I65 WeakPolarHBondContact O-CG1 3.34Å; T61-I65 PolarHBondContact O-N 3.46Å; Q62-I65 PolarHBondContact O-N 3.45Å; I65-Q67 VanDerWaalsContact C-N 3.32Å; I65-Q67 PolarHBondContact O-N 3.04Å; I65-R68 PolarHBondContact O-N 2.99Å; I65-I69 HydrophobicContact CG2-CD1 3.82Å; I65-I69 VanDerWaalsContact O-CG1 3.28Å; I65-I69 WeakPolarHBondContact O-CG1 3.28Å; I65-I69 PolarHBondContact O-N 3.15Å
66L67.9Low66.2Low19 Ų1993.3 Ų93.310%0.09947%0.472CS..Hα-helixtrans-65.5-35.7179-68.8163.6000111.8L50 L54 Q62 D63 I69 S70 V77 T78L50-L66 HydrophobicContact CD1-CD2 4.45Å; L50-L66 HydrophobicContact CD2-CD2 3.63Å; L54-L66 HydrophobicContact CD2-CD1 4Å; L54-L66 HydrophobicContact CD2-CG 4.3Å; Q62-L66 WeakPolarHBondContact O-CB 3.33Å; Q62-L66 WeakPolarHBondContact O-CD1 3.22Å; Q62-L66 WeakPolarHBondContact O-CG 3.39Å; Q62-L66 PolarHBondContact O-N 3.3Å; D63-L66 PolarHBondContact O-N 3.23Å; L66-I69 PolarHBondContact O-N 2.84Å; L66-S70 PolarHBondContact O-N 2.98Å; L66-S70 PolarHBondContact O-OG 3Å; L66-V77 HydrophobicContact CD2-CG1 4.48Å; L66-T78 HydrophobicContact CB-CG2 3.89Å; L66-T78 HydrophobicContact CD1-CG2 3.65Å; L66-T78 HydrophobicContact CD2-CG2 4.15Å; L66-T78 HydrophobicContact CG-CG2 4.09Å
67Q69.3Low65.6Low115 Ų11588.6 Ų88.654%0.53745%0.449SS..Hα-helixtrans-65-48.8171.7-175.2176.6-10.300111.8D63 E64 I65 I69 S70 D71D63-Q67 WeakPolarHBondContact O-CB 3.35Å; D63-Q67 PolarHBondContact O-N 2.98Å; E64-Q67 PolarHBondContact O-N 3.18Å; I65-Q67 VanDerWaalsContact C-N 3.32Å; I65-Q67 PolarHBondContact O-N 3.04Å; Q67-I69 PolarHBondContact O-N 3.17Å; Q67-S70 WeakPolarHBondContact CA-OG 3.48Å; Q67-S70 PolarHBondContact O-N 2.76Å; Q67-S70 PolarHBondContact O-OG 2.85Å; Q67-D71 PolarHBondContact O-N 3.09Å
68R71.5Confident64.8Low162 Ų16288 Ų8861%0.61145%0.451SS*.Hα-helixtrans-59.6-34.2176.3-70173.3-177.6-1438112.4E64 I65 Y72E64-R68 WeakPolarHBondContact O-CG 3.46Å; E64-R68 PolarHBondContact O-N 3.27Å; E64-R68 IonicContact OE1-CZ 3.64Å; E64-R68 VanDerWaalsContact OE1-CZ 3.3Å; E64-R68 IonicContact OE1-NE 3.18Å; E64-R68 PolarHBondContact OE1-NE 3.12Å; E64-R68 IonicContact OE1-NH2 3.89Å; E64-R68 PolarHBondContact OE1-NH2 3.14Å; I65-R68 PolarHBondContact O-N 2.99Å; R68-Y72 WeakPolarHBondContact O-CB 3.32Å; R68-Y72 PolarHBondContact O-N 3.24Å; R68-Y72 VanDerWaalsContact O-N 3.09Å
69I69.4Low63.6Low44 Ų4490 Ų9023%0.22646%0.461CS..Hα-helixtrans-70.5-40174.1-67.8167.3000111I65 L66 Q67 D71 Y72 C73 V77I65-I69 HydrophobicContact CG2-CD1 3.82Å; I65-I69 VanDerWaalsContact O-CG1 3.28Å; I65-I69 WeakPolarHBondContact O-CG1 3.28Å; I65-I69 PolarHBondContact O-N 3.15Å; L66-I69 PolarHBondContact O-N 2.84Å; Q67-I69 PolarHBondContact O-N 3.17Å; I69-D71 VanDerWaalsContact C-N 3.33Å; I69-D71 PolarHBondContact O-N 3.05Å; I69-Y72 PolarHBondContact O-N 3.07Å; I69-C73 WeakPolarHBondContact O-CB 3.34Å; I69-C73 PolarHBondContact O-N 3.41Å; I69-V77 HydrophobicContact CG2-CG2 3.94Å
70S65Low62.5Low19 Ų1990.7 Ų90.713%0.13347%0.467CS..Hα-helixtrans-64.3-38.2174.452.40000113.3L66 Q67 Y72 C73 D74 K75L66-S70 PolarHBondContact O-N 2.98Å; L66-S70 PolarHBondContact O-OG 3Å; Q67-S70 WeakPolarHBondContact CA-OG 3.48Å; Q67-S70 PolarHBondContact O-N 2.76Å; Q67-S70 PolarHBondContact O-OG 2.85Å; S70-Y72 VanDerWaalsContact C-N 3.31Å; S70-Y72 PolarHBondContact O-N 3.15Å; S70-C73 PolarHBondContact O-N 3.04Å; S70-D74 PolarHBondContact O-N 3.2Å; S70-K75 WeakPolarHBondContact CA-O 3.35Å; S70-K75 WeakPolarHBondContact CB-O 3.34Å; S70-K75 PolarHBondContact O-N 2.79Å
71D68.5Low61.2Low109 Ų10991.3 Ų91.358%0.58347%0.472SS*.Hα-helixtrans-68.1-31.5177.6-62.1-12.5000111.5Q67 I69Q67-D71 PolarHBondContact O-N 3.09Å; I69-D71 VanDerWaalsContact C-N 3.33Å; I69-D71 PolarHBondContact O-N 3.05Å
72Y66.4Low59.7Low199 Ų19995.8 Ų95.878%0.7850%0.5SS*.Hα-helixtrans-81.6-28.5176.6-176.3-103.1000114.1R68 I69 S70R68-Y72 WeakPolarHBondContact O-CB 3.32Å; R68-Y72 PolarHBondContact O-N 3.24Å; R68-Y72 VanDerWaalsContact O-N 3.09Å; I69-Y72 PolarHBondContact O-N 3.07Å; S70-Y72 VanDerWaalsContact C-N 3.31Å; S70-Y72 PolarHBondContact O-N 3.15Å
73C62.2Low58.6Low60 Ų60102.3 Ų102.341%0.40552%0.524SS..THydrogen-bonded Turntrans-96.45.5-176.3-74.10000114.9I69 S70 K75I69-C73 WeakPolarHBondContact O-CB 3.34Å; I69-C73 PolarHBondContact O-N 3.41Å; S70-C73 PolarHBondContact O-N 3.04Å; C73-K75 WeakPolarHBondContact O-CB 3.29Å; C73-K75 WeakPolarHBondContact O-CG 3.38Å; C73-K75 PolarHBondContact O-N 3.05Å
74D54.4Low57.4Low155 Ų155104.4 Ų104.483%0.82954%0.535SS*.THydrogen-bonded Turntrans51.820.1-170.6-69.4-46.5000113.7S70S70-D74 PolarHBondContact O-N 3.2Å
75K51.5Low56.4Low150 Ų150107.8 Ų107.865%0.65256%0.555SS**SBendtrans-150.5123.2-166.2-71.5172.7-171.4160.20110.8S70 C73 V77S70-K75 WeakPolarHBondContact CA-O 3.35Å; S70-K75 WeakPolarHBondContact CB-O 3.34Å; S70-K75 PolarHBondContact O-N 2.79Å; C73-K75 WeakPolarHBondContact O-CB 3.29Å; C73-K75 WeakPolarHBondContact O-CG 3.38Å; C73-K75 PolarHBondContact O-N 3.05Å; K75-V77 PolarHBondContact O-N 3.01Å; K75-V77 VanDerWaalsContact O-N 3.17Å
76P51.2Low55.6Low76 Ų76112.1 Ų112.149%0.49458%0.584SS.*  trans-64.3116.1177.225.6-32.9000111.6
77V55.7Low55.4Low75 Ų75115.4 Ų115.446%0.45561%0.606SS.*SBendtrans-84.3-29.7174.4178.50000111L66 I69 K75L66-V77 HydrophobicContact CD2-CG1 4.48Å; I69-V77 HydrophobicContact CG2-CG2 3.94Å; K75-V77 PolarHBondContact O-N 3.01Å; K75-V77 VanDerWaalsContact O-N 3.17Å
78T47.2Very low55.5Low56 Ų56119.1 Ų119.134%0.34462%0.616SS.*SBendtrans-110.5-162.3166.744.50000111.2L66L66-T78 HydrophobicContact CB-CG2 3.89Å; L66-T78 HydrophobicContact CD1-CG2 3.65Å; L66-T78 HydrophobicContact CD2-CG2 4.15Å; L66-T78 HydrophobicContact CG-CG2 4.09Å
79L45.9Very low55.8Low156 Ų156115.8 Ų115.882%0.81761%0.614SS**SBendtrans-53.4140.1-169.4-77.771000111.6
80P44.8Very low56.5Low99 Ų99119.1 Ų119.164%0.64362%0.624SS**PPolyproline II helixtrans-59.3134.7-17525.2-34.8000110.8T82P80-T82 PolarHBondContact O-N 3.08Å
81P40.9Very low57.5Low99 Ų99121 Ų12164%0.64364%0.635SS**PPolyproline II helixtrans-62.1137.1-175.824.9-34.5000111Y83P81-Y83 PolarHBondContact O-N 3.47Å
82T39.2Very low58.5Low145 Ų145124.3 Ų124.389%0.8964%0.644SS**SBendtrans-78.155.1-177.8-45.50000111.5P80P80-T82 PolarHBondContact O-N 3.08Å
83Y45.8Very low59.5Low196 Ų196116.4 Ų116.477%0.76961%0.613SS**SBendtrans-155.888.8174.3-140.2-103000114.5P81 D85P81-Y83 PolarHBondContact O-N 3.47Å; Y83-D85 PolarHBondContact O-N 3.24Å
84D42.7Very low60.7Low145 Ų145115.1 Ų115.178%0.77560%0.601SS**SBendtrans46.7-5.1141.4-73.30.6000125.5
85D53.2Low62.5Low157 Ų157109.5 Ų109.584%0.8458%0.576SS**  trans-100.49.3-175.9-109.1-37.3000116.6Y83 P87Y83-D85 PolarHBondContact O-N 3.24Å; D85-P87 WeakPolarHBondContact O-CD 3.45Å
86T55.7Low64.4Low119 Ų119107 Ų10773%0.7357%0.566SS**SBendtrans-74.9121.717159.40000111Y88T86-Y88 PolarHBondContact O-N 3.47Å
87P63Low66.3Low88 Ų88104.1 Ų104.157%0.57155%0.545SS*.  trans-65.4131.4-175.724.9-33.8000112.3D85 T89 A229D85-P87 WeakPolarHBondContact O-CD 3.45Å; P87-T89 PolarHBondContact O-N 3.07Å; P87-A229 HydrophobicContact CB-CB 4.31Å; P87-A229 HydrophobicContact CG-CB 4.48Å
88Y71.1Confident68Low193 Ų193102.3 Ų102.376%0.75753%0.531SS*.  trans-57.2107.7-179.2-71.5-83.7000112.4T86 W90 T91T86-Y88 PolarHBondContact O-N 3.47Å; Y88-W90 PolarHBondContact O-N 3.3Å; Y88-W90 VanDerWaalsContact O-N 3.11Å; Y88-T91 VanDerWaalsContact O-CG2 3.32Å; Y88-T91 WeakPolarHBondContact O-CG2 3.3Å; Y88-T91 PolarHBondContact O-N 3.08Å
89T77.9Confident70.2Confident91 Ų91100.7 Ų100.756%0.55852%0.524SS*.THydrogen-bonded Turntrans-60.9-22.2178.252.90000113.8P87 H94P87-T89 PolarHBondContact O-N 3.07Å; T89-H94 VanDerWaalsContact O-CB 3.25Å; T89-H94 WeakPolarHBondContact O-CB 3.49Å; T89-H94 PolarHBondContact O-CD2 3.3Å; T89-H94 VanDerWaalsContact O-CD2 3.23Å
90W85.1Confident72.4Confident114 Ų11494.3 Ų94.343%0.43249%0.489SS..THydrogen-bonded Turntrans-10652.9177.5-70.496.1000112.8Y88 A95 F98 I111Y88-W90 PolarHBondContact O-N 3.3Å; Y88-W90 VanDerWaalsContact O-N 3.11Å; W90-A95 HydrophobicContact CE3-CB 4.19Å; W90-F98 AromaticContact CH2-CD1 3.88Å; W90-F98 HydrophobicContact CH2-CD1 3.88Å; W90-F98 HydrophobicContact CH2-CD2 4.23Å; W90-F98 HydrophobicContact CH2-CE1 4.15Å; W90-F98 HydrophobicContact CH2-CE2 4.48Å; W90-F98 AromaticContact CH2-CG 3.94Å; W90-F98 HydrophobicContact CH2-CG 3.94Å; W90-F98 HydrophobicContact CH2-CZ 4.46Å; W90-F98 HydrophobicContact CZ3-CB 4.2Å; W90-F98 AromaticContact CZ3-CD1 3.84Å; W90-F98 HydrophobicContact CZ3-CD1 3.84Å; W90-F98 HydrophobicContact CZ3-CE1 4.48Å; W90-F98 AromaticContact CZ3-CG 3.97Å; W90-F98 HydrophobicContact CZ3-CG 3.97Å; W90-I111 HydrophobicContact CD2-CG2 4.15Å; W90-I111 HydrophobicContact CE3-CG2 4.22Å; W90-I111 HydrophobicContact CH2-CG2 3.46Å; W90-I111 VanDerWaalsContact CH2-CG2 3.46Å; W90-I111 HydrophobicContact CZ2-CG2 3.34Å; W90-I111 HydrophobicContact CZ3-CG2 3.9Å
91T85.8Confident74.6Confident59 Ų5990.1 Ų90.136%0.36246%0.462SS..  trans-61.6160.2162.870.60000110.9Y88 Y93 H94 A95Y88-T91 VanDerWaalsContact O-CG2 3.32Å; Y88-T91 WeakPolarHBondContact O-CG2 3.3Å; Y88-T91 PolarHBondContact O-N 3.08Å; T91-Y93 PolarHBondContact O-N 2.75Å; T91-H94 PolarHBondContact O-N 2.74Å; T91-H94 VanDerWaalsContact O-N 3.13Å; T91-H94 PolarHBondContact OG1-CD2 3.18Å; T91-H94 PolarHBondContact OG1-N 2.72Å; T91-H94 VanDerWaalsContact OG1-N 3.14Å; T91-A95 WeakPolarHBondContact O-CB 3.37Å; T91-A95 PolarHBondContact O-N 3.36Å
92F88.4Confident77.1Confident178 Ų17886.5 Ų86.578%0.78144%0.438SS*.Hα-helixtrans-55.7-38174.5179.7-97000112.4A95 F96F92-A95 PolarHBondContact O-N 3.09Å; F92-F96 WeakPolarHBondContact O-CB 3.21Å; F92-F96 PolarHBondContact O-N 2.97Å
93Y88Confident79.7Confident33 Ų3379.9 Ų79.913%0.12940%0.397CS..Hα-helixtrans-65-47.3175.5-179.1-90.3000111.8T91 A95 F96 F97 F227 Q243 I247T91-Y93 PolarHBondContact O-N 2.75Å; Y93-A95 VanDerWaalsContact C-N 3.33Å; Y93-A95 PolarHBondContact O-N 3.48Å; Y93-F96 PolarHBondContact O-N 2.93Å; Y93-F97 HydrophobicContact CE1-CB 4.39Å; Y93-F97 WeakPolarHBondContact O-CB 3.49Å; Y93-F97 PolarHBondContact O-N 2.67Å; Y93-F227 HydrophobicContact CD1-CD2 4.39Å; Y93-F227 HydrophobicContact CD1-CE2 4.47Å; Y93-F227 HydrophobicContact CE1-CD1 4.22Å; Y93-F227 AromaticContact CE1-CD2 3.85Å; Y93-F227 HydrophobicContact CE1-CD2 3.85Å; Y93-F227 AromaticContact CE1-CE1 3.92Å; Y93-F227 HydrophobicContact CE1-CE1 3.92Å; Y93-F227 AromaticContact CE1-CE2 3.52Å; Y93-F227 HydrophobicContact CE1-CE2 3.52Å; Y93-F227 HydrophobicContact CE1-CG 4.2Å; Y93-F227 AromaticContact CE1-CZ 3.57Å; Y93-F227 HydrophobicContact CE1-CZ 3.57Å; Y93-F227 AromaticContact CZ-CZ 3.88Å; Y93-F227 WeakPolarHBondContact OH-CZ 3.38Å; Y93-Q243 HydrophobicContact CD2-CB 4.2Å; Y93-Q243 HydrophobicContact CD2-CG 4.17Å; Y93-Q243 HydrophobicContact CE1-CG 4.12Å; Y93-Q243 HydrophobicContact CE2-CB 3.54Å; Y93-Q243 HydrophobicContact CE2-CG 3.74Å; Y93-Q243 PolarHBondContact OH-O 3.25Å; Y93-I247 HydrophobicContact CE2-CD1 3.63Å
94H87.4Confident81.9Confident34 Ų3470.6 Ų70.616%0.15736%0.361CS..Hα-helixtrans-62.8-38.8176.1-68.5-49.8000112.4T89 T91 F97 F98 I111 F227T89-H94 VanDerWaalsContact O-CB 3.25Å; T89-H94 WeakPolarHBondContact O-CB 3.49Å; T89-H94 PolarHBondContact O-CD2 3.3Å; T89-H94 VanDerWaalsContact O-CD2 3.23Å; T91-H94 PolarHBondContact O-N 2.74Å; T91-H94 VanDerWaalsContact O-N 3.13Å; T91-H94 PolarHBondContact OG1-CD2 3.18Å; T91-H94 PolarHBondContact OG1-N 2.72Å; T91-H94 VanDerWaalsContact OG1-N 3.14Å; H94-F97 PolarHBondContact O-N 2.83Å; H94-F98 VanDerWaalsContact O-CB 3.23Å; H94-F98 WeakPolarHBondContact O-CB 3.49Å; H94-F98 PolarHBondContact O-N 3.38Å; H94-I111 HydrophobicContact CB-CD1 3.95Å; H94-F227 AromaticContact CE1-CD2 3.87Å
95A91.7Very high84.3Confident36 Ų3667.6 Ų67.630%0.29835%0.348SS..Hα-helixtrans-65-41.2175.600000112.2W90 T91 F92 Y93 A99W90-A95 HydrophobicContact CE3-CB 4.19Å; T91-A95 WeakPolarHBondContact O-CB 3.37Å; T91-A95 PolarHBondContact O-N 3.36Å; F92-A95 PolarHBondContact O-N 3.09Å; Y93-A95 VanDerWaalsContact C-N 3.33Å; Y93-A95 PolarHBondContact O-N 3.48Å; A95-A99 WeakPolarHBondContact O-CB 3.45Å; A95-A99 PolarHBondContact O-N 2.99Å
96F92.1Very high86.2Confident99 Ų9960.5 Ų60.543%0.43431%0.31SS..Hα-helixtrans-64.1-46.3173.3-179.5-87.6000111.6F92 Y93 F98 A99 F100 I247F92-F96 WeakPolarHBondContact O-CB 3.21Å; F92-F96 PolarHBondContact O-N 2.97Å; Y93-F96 PolarHBondContact O-N 2.93Å; F96-F98 VanDerWaalsContact C-N 3.35Å; F96-F98 PolarHBondContact O-N 2.65Å; F96-A99 PolarHBondContact O-N 3.41Å; F96-F100 VanDerWaalsContact O-CB 3.27Å; F96-F100 WeakPolarHBondContact O-CB 3.27Å; F96-F100 PolarHBondContact O-N 3.46Å; F96-I247 HydrophobicContact CD1-CD1 4.04Å; F96-I247 HydrophobicContact CE1-CD1 3.84Å; F96-I247 HydrophobicContact CE1-CG2 4.33Å
97F90.4Very high87.8Confident14 Ų1457 Ų576%0.06130%0.298CS..Hα-helixtrans-64.9-37.3178.4-169.9-104.3000112.2Y93 H94 T101 Y108 V224 P225 V246Y93-F97 HydrophobicContact CE1-CB 4.39Å; Y93-F97 WeakPolarHBondContact O-CB 3.49Å; Y93-F97 PolarHBondContact O-N 2.67Å; H94-F97 PolarHBondContact O-N 2.83Å; F97-T101 HydrophobicContact CD1-CG2 4.34Å; F97-T101 HydrophobicContact CE1-CG2 4.17Å; F97-T101 HydrophobicContact CZ-CG2 4.34Å; F97-T101 WeakPolarHBondContact O-CB 3.46Å; F97-T101 VanDerWaalsContact O-CG2 3.31Å; F97-T101 WeakPolarHBondContact O-CG2 3.43Å; F97-T101 PolarHBondContact O-N 3.14Å; F97-T101 PolarHBondContact O-OG1 3.49Å; F97-Y108 AromaticContact CE1-CD2 3.98Å; F97-Y108 HydrophobicContact CE1-CD2 3.98Å; F97-Y108 AromaticContact CE1-CE2 3.63Å; F97-Y108 HydrophobicContact CE1-CE2 3.63Å; F97-Y108 HydrophobicContact CZ-CD2 4.49Å; F97-Y108 AromaticContact CZ-CE2 3.7Å; F97-Y108 HydrophobicContact CZ-CE2 3.7Å; F97-V224 HydrophobicContact CE1-CG1 3.96Å; F97-P225 HydrophobicContact CZ-CG 4.48Å; F97-V246 HydrophobicContact CE2-CG1 4.17Å
98F91.6Very high89.1Confident38 Ų3853.4 Ų53.417%0.16727%0.273CS..Hα-helixtrans-62-51.9170.3171.4-97.4000111.5W90 H94 F96 F100 T101 V102 I111 P113 M122W90-F98 AromaticContact CH2-CD1 3.88Å; W90-F98 HydrophobicContact CH2-CD1 3.88Å; W90-F98 HydrophobicContact CH2-CD2 4.23Å; W90-F98 HydrophobicContact CH2-CE1 4.15Å; W90-F98 HydrophobicContact CH2-CE2 4.48Å; W90-F98 AromaticContact CH2-CG 3.94Å; W90-F98 HydrophobicContact CH2-CG 3.94Å; W90-F98 HydrophobicContact CH2-CZ 4.46Å; W90-F98 HydrophobicContact CZ3-CB 4.2Å; W90-F98 AromaticContact CZ3-CD1 3.84Å; W90-F98 HydrophobicContact CZ3-CD1 3.84Å; W90-F98 HydrophobicContact CZ3-CE1 4.48Å; W90-F98 AromaticContact CZ3-CG 3.97Å; W90-F98 HydrophobicContact CZ3-CG 3.97Å; H94-F98 VanDerWaalsContact O-CB 3.23Å; H94-F98 WeakPolarHBondContact O-CB 3.49Å; H94-F98 PolarHBondContact O-N 3.38Å; F96-F98 VanDerWaalsContact C-N 3.35Å; F96-F98 PolarHBondContact O-N 2.65Å; F98-F100 VanDerWaalsContact C-N 3.26Å; F98-F100 PolarHBondContact O-N 3.07Å; F98-T101 WeakPolarHBondContact CA-OG1 3.33Å; F98-T101 PolarHBondContact O-N 3Å; F98-T101 PolarHBondContact O-OG1 2.95Å; F98-T101 VanDerWaalsContact O-OG1 3.07Å; F98-V102 HydrophobicContact CD2-CG2 4.4Å; F98-V102 HydrophobicContact CE1-CG2 4.05Å; F98-V102 HydrophobicContact CE2-CG2 3.9Å; F98-V102 HydrophobicContact CZ-CG2 3.68Å; F98-V102 WeakPolarHBondContact O-CG2 3.44Å; F98-V102 PolarHBondContact O-N 2.86Å; F98-I111 HydrophobicContact CD2-CG2 4.26Å; F98-I111 WeakPolarHBondContact CD2-O 3.36Å; F98-I111 WeakPolarHBondContact CE2-O 3.44Å; F98-P113 HydrophobicContact CZ-CG 4.31Å; F98-M122 HydrophobicContact CZ-CG 4.17Å
99A93.3Very high90Very high22 Ų2246.7 Ų46.718%0.18226%0.263CS..Hα-helixtrans-59.1-4017800000111.8A95 F96 C103 Y125A95-A99 WeakPolarHBondContact O-CB 3.45Å; A95-A99 PolarHBondContact O-N 2.99Å; F96-A99 PolarHBondContact O-N 3.41Å; A99-C103 PolarHBondContact O-N 2.8Å; A99-C103 VanDerWaalsContact O-N 3.1Å; A99-C103 PolarHBondContact O-SG 3.28Å; A99-Y125 HydrophobicContact CB-CE1 3.83Å
100F91.9Very high90.3Very high22 Ų2246.7 Ų46.710%0.09626%0.259CS..Hα-helixtrans-65.5-46.6176.1-178-112.8000112.8F96 F98 V102 C103 S104 F250 I251F96-F100 VanDerWaalsContact O-CB 3.27Å; F96-F100 WeakPolarHBondContact O-CB 3.27Å; F96-F100 PolarHBondContact O-N 3.46Å; F98-F100 VanDerWaalsContact C-N 3.26Å; F98-F100 PolarHBondContact O-N 3.07Å; F100-V102 VanDerWaalsContact C-N 3.33Å; F100-V102 PolarHBondContact O-N 3.12Å; F100-C103 PolarHBondContact O-N 3.44Å; F100-C103 VanDerWaalsContact O-N 3.16Å; F100-S104 PolarHBondContact O-N 3.25Å; F100-S104 PolarHBondContact O-OG 3.05Å; F100-F250 HydrophobicContact CE1-CB 4.32Å; F100-F250 AromaticContact CE1-CD1 3.33Å; F100-F250 HydrophobicContact CE1-CD1 3.33Å; F100-F250 AromaticContact CE1-CE1 3.88Å; F100-F250 HydrophobicContact CE1-CE1 3.88Å; F100-F250 AromaticContact CE1-CG 3.94Å; F100-F250 HydrophobicContact CE1-CG 3.94Å; F100-F250 AromaticContact CZ-CD1 3.48Å; F100-F250 HydrophobicContact CZ-CD1 3.48Å; F100-F250 VanDerWaalsContact CZ-CD1 3.48Å; F100-F250 AromaticContact CZ-CE1 3.96Å; F100-F250 HydrophobicContact CZ-CE1 3.96Å; F100-F250 HydrophobicContact CZ-CG 4.43Å; F100-I251 HydrophobicContact CE1-CG1 4.49Å; F100-I251 HydrophobicContact CE2-CD1 4.23Å; F100-I251 HydrophobicContact CE2-CG1 3.88Å; F100-I251 HydrophobicContact CZ-CD1 4.18Å; F100-I251 HydrophobicContact CZ-CG1 3.48Å; F100-I251 VanDerWaalsContact CZ-CG1 3.48Å
101T92.1Very high90.5Very high10 Ų1042.6 Ų42.66%0.06125%0.246CC..Hα-helixtrans-70-25.6179.149.90000113.7F97 F98 S104 T105 V106 G107 Y108F97-T101 HydrophobicContact CD1-CG2 4.34Å; F97-T101 HydrophobicContact CE1-CG2 4.17Å; F97-T101 HydrophobicContact CZ-CG2 4.34Å; F97-T101 WeakPolarHBondContact O-CB 3.46Å; F97-T101 VanDerWaalsContact O-CG2 3.31Å; F97-T101 WeakPolarHBondContact O-CG2 3.43Å; F97-T101 PolarHBondContact O-N 3.14Å; F97-T101 PolarHBondContact O-OG1 3.49Å; F98-T101 WeakPolarHBondContact CA-OG1 3.33Å; F98-T101 PolarHBondContact O-N 3Å; F98-T101 PolarHBondContact O-OG1 2.95Å; F98-T101 VanDerWaalsContact O-OG1 3.07Å; T101-S104 WeakPolarHBondContact CA-OG 3.21Å; T101-T105 PolarHBondContact O-N 3.38Å; T101-V106 HydrophobicContact CG2-CB 4.45Å; T101-V106 PolarHBondContact O-N 3.03Å; T101-V106 VanDerWaalsContact O-N 3.1Å; T101-G107 PolarHBondContact O-N 3Å; T101-Y108 HydrophobicContact CG2-CD2 3.86Å; T101-Y108 HydrophobicContact CG2-CE2 3.71Å
102V93.5Very high90.7Very high23 Ų2343 Ų4314%0.13925%0.25CS..Hα-helixtrans-66.5-48.4166168.40000110.6F98 F100 T105 M122 Y125F98-V102 HydrophobicContact CD2-CG2 4.4Å; F98-V102 HydrophobicContact CE1-CG2 4.05Å; F98-V102 HydrophobicContact CE2-CG2 3.9Å; F98-V102 HydrophobicContact CZ-CG2 3.68Å; F98-V102 WeakPolarHBondContact O-CG2 3.44Å; F98-V102 PolarHBondContact O-N 2.86Å; F100-V102 VanDerWaalsContact C-N 3.33Å; F100-V102 PolarHBondContact O-N 3.12Å; V102-T105 PolarHBondContact O-N 3.26Å; V102-M122 HydrophobicContact CG1-CG 4.41Å; V102-M122 HydrophobicContact CG2-CG 4.39Å; V102-Y125 HydrophobicContact CG1-CD1 4.35Å
103C93.4Very high90.8Very high6 Ų635.3 Ų35.34%0.04122%0.219CC..Hα-helixtrans-71.3-29.4-179.1-64.20000113.7A99 F100 T105 Y125 N133A99-C103 PolarHBondContact O-N 2.8Å; A99-C103 VanDerWaalsContact O-N 3.1Å; A99-C103 PolarHBondContact O-SG 3.28Å; F100-C103 PolarHBondContact O-N 3.44Å; F100-C103 VanDerWaalsContact O-N 3.16Å; C103-T105 VanDerWaalsContact C-N 3.3Å; C103-Y125 WeakPolarHBondContact SG-CE1 3.49Å; C103-Y125 PolarHBondContact SG-OH 2.92Å; C103-N133 HydrophobicContact CB-CB 4.38Å; C103-N133 WeakPolarHBondContact CB-ND2 3.47Å; C103-N133 WeakPolarHBondContact O-CB 3.38Å; C103-N133 PolarHBondContact O-ND2 3.46Å
104S91.7Very high90.9Very high1 Ų138.2 Ų38.21%0.00724%0.24CC..THydrogen-bonded Turntrans-86.81.1174.767.50000113.6F100 T101 V106 N133F100-S104 PolarHBondContact O-N 3.25Å; F100-S104 PolarHBondContact O-OG 3.05Å; T101-S104 WeakPolarHBondContact CA-OG 3.21Å; S104-V106 PolarHBondContact O-N 3.18Å; S104-V106 WeakPolarHBondContact OG-CG2 3.38Å; S104-N133 PolarHBondContact N-ND2 3.13Å
105T93.5Very high91.3Very high83 Ų8340.6 Ų40.651%0.50926%0.257SS..THydrogen-bonded Turntrans59.420.4179.259.50000115.7T101 V102 C103 I130T101-T105 PolarHBondContact O-N 3.38Å; V102-T105 PolarHBondContact O-N 3.26Å; C103-T105 VanDerWaalsContact C-N 3.3Å; T105-I130 HydrophobicContact CG2-CD1 3.73Å; T105-I130 HydrophobicContact CG2-CG1 3.79Å; T105-I130 HydrophobicContact CG2-CG2 4.12Å
106V92.1Very high91.4Very high7 Ų746.3 Ų46.34%0.04228%0.276CS..  trans-74.2-48.9172.9-179.50000110.8T101 S104 Y108 T217 F250T101-V106 HydrophobicContact CG2-CB 4.45Å; T101-V106 PolarHBondContact O-N 3.03Å; T101-V106 VanDerWaalsContact O-N 3.1Å; S104-V106 PolarHBondContact O-N 3.18Å; S104-V106 WeakPolarHBondContact OG-CG2 3.38Å; V106-Y108 HydrophobicContact CG1-CD1 3.84Å; V106-Y108 HydrophobicContact CG1-CD2 4.34Å; V106-Y108 HydrophobicContact CG1-CE1 3.58Å; V106-Y108 HydrophobicContact CG1-CE2 4.1Å; V106-Y108 HydrophobicContact CG1-CG 4.22Å; V106-Y108 PolarHBondContact O-N 2.84Å; V106-T217 HydrophobicContact CG2-CG2 3.92Å; V106-F250 HydrophobicContact CG2-CE1 4.41Å; V106-F250 HydrophobicContact CG2-CE2 3.6Å; V106-F250 HydrophobicContact CG2-CZ 3.31Å
107G90.1Very high91.6Very high46 Ų4644.4 Ų44.447%0.47428%0.278SS..  trans54.54817000000117.3T101 G109T101-G107 PolarHBondContact O-N 3Å; G107-G109 PolarHBondContact O-N 2.95Å
108Y91Very high91.8Very high12 Ų1244.7 Ų44.75%0.04729%0.285CS..  trans-44.8-24.5-177.9-62.6-61.3000116.9F97 T101 V106 N110 Y210 T214 G219 G221 V224F97-Y108 AromaticContact CE1-CD2 3.98Å; F97-Y108 HydrophobicContact CE1-CD2 3.98Å; F97-Y108 AromaticContact CE1-CE2 3.63Å; F97-Y108 HydrophobicContact CE1-CE2 3.63Å; F97-Y108 HydrophobicContact CZ-CD2 4.49Å; F97-Y108 AromaticContact CZ-CE2 3.7Å; F97-Y108 HydrophobicContact CZ-CE2 3.7Å; T101-Y108 HydrophobicContact CG2-CD2 3.86Å; T101-Y108 HydrophobicContact CG2-CE2 3.71Å; V106-Y108 HydrophobicContact CG1-CD1 3.84Å; V106-Y108 HydrophobicContact CG1-CD2 4.34Å; V106-Y108 HydrophobicContact CG1-CE1 3.58Å; V106-Y108 HydrophobicContact CG1-CE2 4.1Å; V106-Y108 HydrophobicContact CG1-CG 4.22Å; V106-Y108 PolarHBondContact O-N 2.84Å; Y108-N110 PolarHBondContact O-N 2.7Å; Y108-Y210 HydrophobicContact CE1-CE2 4.28Å; Y108-Y210 PolarHBondContact OH-OH 3.25Å; Y108-T214 WeakPolarHBondContact OH-CG2 3.22Å; Y108-T214 PolarHBondContact OH-OG1 2.81Å; Y108-G219 WeakPolarHBondContact CA-O 3.49Å; Y108-G221 WeakPolarHBondContact O-CA 3.34Å; Y108-V224 HydrophobicContact CD1-CG2 3.95Å; Y108-V224 HydrophobicContact CD2-CG1 4.23Å; Y108-V224 HydrophobicContact CD2-CG2 4.1Å; Y108-V224 HydrophobicContact CE1-CG2 4.42Å; Y108-V224 HydrophobicContact CE2-CG1 4.32Å; Y108-V224 HydrophobicContact CG-CG2 3.76Å
109G88.5Confident91.9Very high52 Ų5248.9 Ų48.954%0.53630%0.3SS..  trans74.2-13.6175.100000115.9G107 I111G107-G109 PolarHBondContact O-N 2.95Å; G109-I111 PolarHBondContact O-N 2.84Å
110N85.5Confident92.1Very high92 Ų9252 Ų5249%0.49231%0.312SS..SBendtrans-55.6-33.7173.672.2-37.1000112.8Y108 V224Y108-N110 PolarHBondContact O-N 2.7Å; N110-V224 HydrophobicContact CB-CG2 4.46Å
111I87.7Confident92.3Very high28 Ų2856.6 Ų56.614%0.14434%0.336CS..SBendtrans-121.4128.5171.7-62.1177.5000108W90 H94 F98 G109W90-I111 HydrophobicContact CD2-CG2 4.15Å; W90-I111 HydrophobicContact CE3-CG2 4.22Å; W90-I111 HydrophobicContact CH2-CG2 3.46Å; W90-I111 VanDerWaalsContact CH2-CG2 3.46Å; W90-I111 HydrophobicContact CZ2-CG2 3.34Å; W90-I111 HydrophobicContact CZ3-CG2 3.9Å; H94-I111 HydrophobicContact CB-CD1 3.95Å; F98-I111 HydrophobicContact CD2-CG2 4.26Å; F98-I111 WeakPolarHBondContact CD2-O 3.36Å; F98-I111 WeakPolarHBondContact CE2-O 3.44Å; G109-I111 PolarHBondContact O-N 2.84Å
112S90.1Very high92.4Very high66 Ų6658.9 Ų58.946%0.46235%0.347SS..  trans-150.4150.6178.165.60000112.4T114S112-T114 PolarHBondContact O-N 3.43Å
113P91.6Very high92.4Very high17 Ų1762 Ų6211%0.1136%0.362CS..  trans-70.2115.8-177.125.7-33.3000111.2F98 R119 M122F98-P113 HydrophobicContact CZ-CG 4.31Å; P113-R119 HydrophobicContact CB-CG 4.19Å; P113-R119 HydrophobicContact CG-CG 3.99Å; P113-R119 VanDerWaalsContact O-CG 3.31Å; P113-R119 WeakPolarHBondContact O-CG 3.19Å; P113-R119 PolarHBondContact O-NE 3.49Å; P113-M122 HydrophobicContact CG-CB 4.35Å; P113-M122 HydrophobicContact CG-CE 4.42Å
114T90.8Very high92.5Very high95 Ų9564.6 Ų64.658%0.58338%0.384SS*.  trans-75.5-37.617451.70000111.9S112 R119S112-T114 PolarHBondContact O-N 3.43Å; T114-R119 PolarHBondContact O-NE 2.86Å; T114-R119 PolarHBondContact O-NH2 3.39Å
115T94.3Very high92.7Very high83 Ų8369.7 Ų69.751%0.50940%0.403SS..SBendtrans-73.2147.8-176.667.80000112.8A117 G118 R119T115-A117 PolarHBondContact O-N 3.5Å; T115-G118 PolarHBondContact O-N 2.93Å; T115-G118 PolarHBondContact OG1-N 3.15Å; T115-G118 VanDerWaalsContact OG1-N 3.09Å; T115-R119 WeakPolarHBondContact O-CG 3.16Å; T115-R119 PolarHBondContact O-N 3.17Å; T115-R119 VanDerWaalsContact O-N 3.09Å
116F94.9Very high92.8Very high157 Ų15766.9 Ų66.969%0.68939%0.387SS*.Hα-helixtrans-59.1-46.4175.3177.5-99.6000111.8G118 R119 M120F116-G118 PolarHBondContact O-N 2.85Å; F116-R119 PolarHBondContact O-N 3.48Å; F116-M120 HydrophobicContact CD1-CG 4.24Å; F116-M120 HydrophobicContact CE1-CG 3.78Å; F116-M120 HydrophobicContact CE2-CE 4.07Å; F116-M120 HydrophobicContact CE2-CG 4.14Å; F116-M120 HydrophobicContact CE2-SD 4.14Å; F116-M120 HydrophobicContact CZ-CE 4.47Å; F116-M120 HydrophobicContact CZ-CG 3.72Å; F116-M120 HydrophobicContact CZ-SD 3.94Å; F116-M120 WeakPolarHBondContact O-CG 3.44Å; F116-M120 PolarHBondContact O-N 3.49Å
117A95.6Very high92.9Very high58 Ų5871.5 Ų71.548%0.47942%0.415SS..Hα-helixtrans-59.3-46.6177.500000112.2T115 R119 M120 I121T115-A117 PolarHBondContact O-N 3.5Å; A117-R119 VanDerWaalsContact C-N 3.3Å; A117-R119 PolarHBondContact O-N 3.45Å; A117-M120 PolarHBondContact O-N 3.37Å; A117-I121 WeakPolarHBondContact O-CB 3.31Å; A117-I121 VanDerWaalsContact O-CG1 3.31Å; A117-I121 WeakPolarHBondContact O-CG1 3.34Å; A117-I121 PolarHBondContact O-N 3.04Å
118G94Very high93.1Very high21 Ų2175.1 Ų75.122%0.21642%0.422CS..Hα-helixtrans-60.4-37.5177.400000112.9T115 F116 M122T115-G118 PolarHBondContact O-N 2.93Å; T115-G118 PolarHBondContact OG1-N 3.15Å; T115-G118 VanDerWaalsContact OG1-N 3.09Å; F116-G118 PolarHBondContact O-N 2.85Å; G118-M122 WeakPolarHBondContact O-CB 3.33Å; G118-M122 PolarHBondContact O-N 3.15Å
119R94.9Very high93.3Very high125 Ų12575 Ų7547%0.47242%0.424SS..Hα-helixtrans-66.2-43.2174.6-69167.4-177.7174.10.7112.3P113 T114 T115 F116 A117 I123P113-R119 HydrophobicContact CB-CG 4.19Å; P113-R119 HydrophobicContact CG-CG 3.99Å; P113-R119 VanDerWaalsContact O-CG 3.31Å; P113-R119 WeakPolarHBondContact O-CG 3.19Å; P113-R119 PolarHBondContact O-NE 3.49Å; T114-R119 PolarHBondContact O-NE 2.86Å; T114-R119 PolarHBondContact O-NH2 3.39Å; T115-R119 WeakPolarHBondContact O-CG 3.16Å; T115-R119 PolarHBondContact O-N 3.17Å; T115-R119 VanDerWaalsContact O-N 3.09Å; F116-R119 PolarHBondContact O-N 3.48Å; A117-R119 VanDerWaalsContact C-N 3.3Å; A117-R119 PolarHBondContact O-N 3.45Å; R119-I123 WeakPolarHBondContact O-CG1 3.27Å; R119-I123 PolarHBondContact O-N 3.1Å
120M96.5Very high93.6Very high89 Ų8975.5 Ų75.544%0.43841%0.414SS..Hα-helixtrans-67.6-43.1178.3-64.3-57.498.800111.8F116 A117 I123 A124F116-M120 HydrophobicContact CD1-CG 4.24Å; F116-M120 HydrophobicContact CE1-CG 3.78Å; F116-M120 HydrophobicContact CE2-CE 4.07Å; F116-M120 HydrophobicContact CE2-CG 4.14Å; F116-M120 HydrophobicContact CE2-SD 4.14Å; F116-M120 HydrophobicContact CZ-CE 4.47Å; F116-M120 HydrophobicContact CZ-CG 3.72Å; F116-M120 HydrophobicContact CZ-SD 3.94Å; F116-M120 WeakPolarHBondContact O-CG 3.44Å; F116-M120 PolarHBondContact O-N 3.49Å; A117-M120 PolarHBondContact O-N 3.37Å; M120-I123 HydrophobicContact CE-CD1 3.93Å; M120-I123 PolarHBondContact O-N 3.31Å; M120-A124 PolarHBondContact O-N 3.4Å; M120-A124 VanDerWaalsContact O-N 3.13Å
121I95.7Very high94Very high118 Ų11873.7 Ų73.761%0.60541%0.408SS*.Hα-helixtrans-63.6-43.1176.7-67.4166.5000110.6A117 I123 A124 Y125A117-I121 WeakPolarHBondContact O-CB 3.31Å; A117-I121 VanDerWaalsContact O-CG1 3.31Å; A117-I121 WeakPolarHBondContact O-CG1 3.34Å; A117-I121 PolarHBondContact O-N 3.04Å; I121-I123 VanDerWaalsContact C-N 3.33Å; I121-I123 PolarHBondContact O-N 3.48Å; I121-A124 PolarHBondContact O-N 2.97Å; I121-Y125 WeakPolarHBondContact O-CB 3.31Å; I121-Y125 PolarHBondContact O-N 3.08Å
122M94.3Very high94.3Very high58 Ų5876.4 Ų76.429%0.28643%0.425SS..Hα-helixtrans-58.8-41.5176.7175.8-83.6-67.300112.4F98 V102 P113 G118 Y125 S126F98-M122 HydrophobicContact CZ-CG 4.17Å; V102-M122 HydrophobicContact CG1-CG 4.41Å; V102-M122 HydrophobicContact CG2-CG 4.39Å; P113-M122 HydrophobicContact CG-CB 4.35Å; P113-M122 HydrophobicContact CG-CE 4.42Å; G118-M122 WeakPolarHBondContact O-CB 3.33Å; G118-M122 PolarHBondContact O-N 3.15Å; M122-Y125 PolarHBondContact O-N 3.43Å; M122-S126 WeakPolarHBondContact O-CB 3.23Å; M122-S126 PolarHBondContact O-N 3.03Å; M122-S126 PolarHBondContact O-OG 3.47Å
123I95.3Very high94.4Very high88 Ų8874.2 Ų74.245%0.45141%0.408SS..Hα-helixtrans-63-49.1175.5-67.7164000110.9R119 M120 I121 Y125 S126 V127R119-I123 WeakPolarHBondContact O-CG1 3.27Å; R119-I123 PolarHBondContact O-N 3.1Å; M120-I123 HydrophobicContact CE-CD1 3.93Å; M120-I123 PolarHBondContact O-N 3.31Å; I121-I123 VanDerWaalsContact C-N 3.33Å; I121-I123 PolarHBondContact O-N 3.48Å; I123-Y125 VanDerWaalsContact C-N 3.32Å; I123-Y125 PolarHBondContact O-N 3.17Å; I123-S126 PolarHBondContact O-N 3.07Å; I123-S126 PolarHBondContact O-OG 3.1Å; I123-V127 WeakPolarHBondContact O-CG2 3.35Å; I123-V127 PolarHBondContact O-N 3.4Å
124A95.6Very high94.4Very high61 Ų6174.5 Ų74.550%0.50442%0.415SS..Hα-helixtrans-61.9-40.8179.100000112M120 I121M120-A124 PolarHBondContact O-N 3.4Å; M120-A124 VanDerWaalsContact O-N 3.13Å; I121-A124 PolarHBondContact O-N 2.97Å
125Y95.7Very high94.6Very high107 Ų10775.2 Ų75.242%0.4241%0.414SS..Hα-helixtrans-64.3-44.8176.5-179.9-112.4000112A99 V102 C103 I121 M122 I123 V127 I128 G129A99-Y125 HydrophobicContact CB-CE1 3.83Å; V102-Y125 HydrophobicContact CG1-CD1 4.35Å; C103-Y125 WeakPolarHBondContact SG-CE1 3.49Å; C103-Y125 PolarHBondContact SG-OH 2.92Å; I121-Y125 WeakPolarHBondContact O-CB 3.31Å; I121-Y125 PolarHBondContact O-N 3.08Å; M122-Y125 PolarHBondContact O-N 3.43Å; I123-Y125 VanDerWaalsContact C-N 3.32Å; I123-Y125 PolarHBondContact O-N 3.17Å; Y125-V127 VanDerWaalsContact C-N 3.3Å; Y125-V127 PolarHBondContact O-N 3.02Å; Y125-I128 PolarHBondContact O-N 2.98Å; Y125-G129 PolarHBondContact O-N 3.24Å
126S94.3Very high94.5Very high25 Ų2575 Ų7518%0.17541%0.409CS..Hα-helixtrans-62.9-33.8-179.467.60000113.3M122 I123 I128 I130M122-S126 WeakPolarHBondContact O-CB 3.23Å; M122-S126 PolarHBondContact O-N 3.03Å; M122-S126 PolarHBondContact O-OG 3.47Å; I123-S126 PolarHBondContact O-N 3.07Å; I123-S126 PolarHBondContact O-OG 3.1Å; S126-I128 VanDerWaalsContact C-N 3.25Å; S126-I128 PolarHBondContact O-N 2.91Å; S126-I130 WeakPolarHBondContact O-CB 3.17Å; S126-I130 VanDerWaalsContact O-CG1 3.29Å; S126-I130 WeakPolarHBondContact O-CG1 3.27Å; S126-I130 PolarHBondContact O-N 3.43Å
127V95.1Very high94.4Very high104 Ų10468.2 Ų68.263%0.6338%0.379SS*.Hα-helixtrans-62.1-32.6179.1169.80000112.1I123 Y125 P131I123-V127 WeakPolarHBondContact O-CG2 3.35Å; I123-V127 PolarHBondContact O-N 3.4Å; Y125-V127 VanDerWaalsContact C-N 3.3Å; Y125-V127 PolarHBondContact O-N 3.02Å; V127-P131 VanDerWaalsContact O-CD 3.24Å; V127-P131 WeakPolarHBondContact O-CD 3.38Å; V127-P131 WeakPolarHBondContact O-CG 3.27Å
128I94.9Very high94.1Very high121 Ų12166.6 Ų66.662%0.62137%0.366SS*.Hα-helixtrans-93.5-42.4177.8-57.6175.5000110.7Y125 S126 P131 V132Y125-I128 PolarHBondContact O-N 2.98Å; S126-I128 VanDerWaalsContact C-N 3.25Å; S126-I128 PolarHBondContact O-N 2.91Å; I128-P131 WeakPolarHBondContact O-CD 3.37Å; I128-V132 HydrophobicContact CG2-CG2 4.38Å; I128-V132 WeakPolarHBondContact O-CG2 3.34Å; I128-V132 PolarHBondContact O-N 3.34Å
129G94.4Very high94.1Very high9 Ų967.7 Ų67.79%0.09338%0.378CS..Hα-helixtrans-65.3-40.7-174.800000114.3Y125 V132 N133Y125-G129 PolarHBondContact O-N 3.24Å; G129-V132 PolarHBondContact O-N 3.15Å; G129-N133 WeakPolarHBondContact O-CB 3.49Å; G129-N133 PolarHBondContact O-N 3.45Å
130I94Very high93.9Very high63 Ų6363.2 Ų63.232%0.32336%0.363SS..Hα-helixtrans-65-47.1-179-65168.9000111.6T105 S126 V132 G134T105-I130 HydrophobicContact CG2-CD1 3.73Å; T105-I130 HydrophobicContact CG2-CG1 3.79Å; T105-I130 HydrophobicContact CG2-CG2 4.12Å; S126-I130 WeakPolarHBondContact O-CB 3.17Å; S126-I130 VanDerWaalsContact O-CG1 3.29Å; S126-I130 WeakPolarHBondContact O-CG1 3.27Å; S126-I130 PolarHBondContact O-N 3.43Å; I130-V132 PolarHBondContact O-N 3.36Å; I130-G134 PolarHBondContact O-N 3.01Å
131P95.1Very high93.7Very high55 Ų5559.1 Ų59.136%0.35734%0.343SS..Hα-helixtrans-58.1-43.1170.4-28.335.7000114.4V127 I128 G134 I135V127-P131 VanDerWaalsContact O-CD 3.24Å; V127-P131 WeakPolarHBondContact O-CD 3.38Å; V127-P131 WeakPolarHBondContact O-CG 3.27Å; I128-P131 WeakPolarHBondContact O-CD 3.37Å; P131-G134 PolarHBondContact O-N 3.43Å; P131-I135 WeakPolarHBondContact O-CG1 3.47Å; P131-I135 PolarHBondContact O-N 2.89Å
132V94.3Very high93.4Very high84 Ų8457.7 Ų57.751%0.50933%0.334SS..Hα-helixtrans-64-47-179.7169.40000111.3I128 G129 I130 G134 I135 L136I128-V132 HydrophobicContact CG2-CG2 4.38Å; I128-V132 WeakPolarHBondContact O-CG2 3.34Å; I128-V132 PolarHBondContact O-N 3.34Å; G129-V132 PolarHBondContact O-N 3.15Å; I130-V132 PolarHBondContact O-N 3.36Å; V132-G134 VanDerWaalsContact C-N 3.34Å; V132-G134 PolarHBondContact O-N 2.89Å; V132-I135 PolarHBondContact O-N 2.87Å; V132-L136 PolarHBondContact O-N 3.17Å
133N92.2Very high93.3Very high20 Ų2061.6 Ų61.611%0.10735%0.347CS..Hα-helixtrans-64-38.5174.3-94.217.8000112C103 S104 G129 I135 L136 F137C103-N133 HydrophobicContact CB-CB 4.38Å; C103-N133 WeakPolarHBondContact CB-ND2 3.47Å; C103-N133 WeakPolarHBondContact O-CB 3.38Å; C103-N133 PolarHBondContact O-ND2 3.46Å; S104-N133 PolarHBondContact N-ND2 3.13Å; G129-N133 WeakPolarHBondContact O-CB 3.49Å; G129-N133 PolarHBondContact O-N 3.45Å; N133-I135 VanDerWaalsContact C-N 3.29Å; N133-I135 PolarHBondContact O-N 3.42Å; N133-L136 WeakPolarHBondContact O-CB 3.38Å; N133-L136 PolarHBondContact O-N 3.47Å; N133-L136 VanDerWaalsContact O-N 3.15Å; N133-F137 HydrophobicContact CB-CD2 4.37Å; N133-F137 HydrophobicContact CB-CE2 3.66Å; N133-F137 HydrophobicContact CB-CZ 3.94Å; N133-F137 WeakPolarHBondContact O-CD2 3.3Å; N133-F137 WeakPolarHBondContact O-CG 3.42Å; N133-F137 PolarHBondContact O-N 2.86Å
134G91.7Very high93Very high24 Ų2458.8 Ų58.825%0.24733%0.331CS..Hα-helixtrans-61.5-34.5174.300000113.7I130 P131 V132 A138I130-G134 PolarHBondContact O-N 3.01Å; P131-G134 PolarHBondContact O-N 3.43Å; V132-G134 VanDerWaalsContact C-N 3.34Å; V132-G134 PolarHBondContact O-N 2.89Å; G134-A138 VanDerWaalsContact O-CB 3.3Å; G134-A138 WeakPolarHBondContact O-CB 3.3Å; G134-A138 PolarHBondContact O-N 3.07Å
135I93.3Very high92.6Very high110 Ų11056.5 Ų56.556%0.56431%0.313SS*.Hα-helixtrans-68.8-43.9171.8-67.7162.8000110.7P131 V132 N133 A138 G139P131-I135 WeakPolarHBondContact O-CG1 3.47Å; P131-I135 PolarHBondContact O-N 2.89Å; V132-I135 PolarHBondContact O-N 2.87Å; N133-I135 VanDerWaalsContact C-N 3.29Å; N133-I135 PolarHBondContact O-N 3.42Å; I135-A138 PolarHBondContact O-N 2.87Å; I135-G139 PolarHBondContact O-N 3.43Å
136L93Very high92.2Very high77 Ų7758.8 Ų58.840%0.40332%0.321SS..Hα-helixtrans-58.2-49.7175.8176.162.7000111.7V132 N133 A138 G139 L140V132-L136 PolarHBondContact O-N 3.17Å; N133-L136 WeakPolarHBondContact O-CB 3.38Å; N133-L136 PolarHBondContact O-N 3.47Å; N133-L136 VanDerWaalsContact O-N 3.15Å; L136-A138 PolarHBondContact O-N 2.96Å; L136-G139 PolarHBondContact O-N 2.99Å; L136-L140 HydrophobicContact CD1-CD1 4.04Å; L136-L140 HydrophobicContact CD1-CG 4.32Å; L136-L140 HydrophobicContact CG-CD1 4.01Å; L136-L140 WeakPolarHBondContact O-CG 3.35Å; L136-L140 PolarHBondContact O-N 3Å
137F92.1Very high91.9Very high15 Ų1560 Ų607%0.06633%0.327CS..Hα-helixtrans-69.6-30.9-179.7-51.8-40.3000112.6N133 L140 G141 L254 V258N133-F137 HydrophobicContact CB-CD2 4.37Å; N133-F137 HydrophobicContact CB-CE2 3.66Å; N133-F137 HydrophobicContact CB-CZ 3.94Å; N133-F137 WeakPolarHBondContact O-CD2 3.3Å; N133-F137 WeakPolarHBondContact O-CG 3.42Å; N133-F137 PolarHBondContact O-N 2.86Å; F137-L140 HydrophobicContact CD1-CD1 4.4Å; F137-G141 PolarHBondContact O-N 3.31Å; F137-L254 HydrophobicContact CD1-CB 4.3Å; F137-L254 HydrophobicContact CD1-CD2 4.36Å; F137-L254 HydrophobicContact CD1-CG 4.12Å; F137-L254 HydrophobicContact CD2-CD2 3.78Å; F137-L254 HydrophobicContact CD2-CG 3.89Å; F137-L254 HydrophobicContact CE1-CB 4.31Å; F137-L254 HydrophobicContact CE1-CD2 4Å; F137-L254 HydrophobicContact CE1-CG 4.21Å; F137-L254 HydrophobicContact CE2-CD2 3.34Å; F137-L254 HydrophobicContact CE2-CG 3.97Å; F137-L254 HydrophobicContact CG-CD2 4.29Å; F137-L254 HydrophobicContact CG-CG 4Å; F137-L254 HydrophobicContact CZ-CD2 3.5Å; F137-L254 VanDerWaalsContact CZ-CD2 3.5Å; F137-L254 HydrophobicContact CZ-CG 4.16Å; F137-V258 HydrophobicContact CB-CG2 3.92Å
138A90.1Very high91.4Very high25 Ų2557 Ų5721%0.20731%0.306CS..Hα-helixtrans-64.4-45.817000000111.7G134 I135 L136 G141 E142 P798G134-A138 VanDerWaalsContact O-CB 3.3Å; G134-A138 WeakPolarHBondContact O-CB 3.3Å; G134-A138 PolarHBondContact O-N 3.07Å; I135-A138 PolarHBondContact O-N 2.87Å; L136-A138 PolarHBondContact O-N 2.96Å; A138-G141 PolarHBondContact O-N 3.09Å; A138-E142 PolarHBondContact O-N 2.97Å; A138-P798 HydrophobicContact CB-CB 4.32Å
139G92.9Very high90.8Very high44 Ų4455.3 Ų55.345%0.45430%0.295SS..Hα-helixtrans-62.1-43.2176.100000113.1I135 L136 E142 Y143I135-G139 PolarHBondContact O-N 3.43Å; L136-G139 PolarHBondContact O-N 2.99Å; G139-E142 PolarHBondContact O-N 3.25Å; G139-Y143 WeakPolarHBondContact O-CB 3.14Å; G139-Y143 PolarHBondContact O-N 3.17Å
140L92.6Very high90.4Very high30 Ų3057 Ų5716%0.15731%0.309CS..Hα-helixtrans-65.4-43.3174.3-71.6168.7000111.9L136 F137 E142 Y143 F144 I251L136-L140 HydrophobicContact CD1-CD1 4.04Å; L136-L140 HydrophobicContact CD1-CG 4.32Å; L136-L140 HydrophobicContact CG-CD1 4.01Å; L136-L140 WeakPolarHBondContact O-CG 3.35Å; L136-L140 PolarHBondContact O-N 3Å; F137-L140 HydrophobicContact CD1-CD1 4.4Å; L140-E142 VanDerWaalsContact C-N 3.32Å; L140-E142 PolarHBondContact O-N 3.26Å; L140-Y143 WeakPolarHBondContact O-CB 3.26Å; L140-Y143 PolarHBondContact O-N 2.96Å; L140-Y143 VanDerWaalsContact O-N 3.13Å; L140-F144 HydrophobicContact CB-CD2 4.47Å; L140-F144 HydrophobicContact CB-CE2 4.05Å; L140-F144 WeakPolarHBondContact O-CD2 3.49Å; L140-F144 WeakPolarHBondContact O-CG 3.24Å; L140-F144 PolarHBondContact O-N 3.47Å; L140-I251 HydrophobicContact CD1-CG2 3.57Å
141G90.7Very high90Very high3 Ų359 Ų593%0.03132%0.319CS..Hα-helixtrans-61.7-38.1176.300000112.9F137 A138 G145 G255F137-G141 PolarHBondContact O-N 3.31Å; A138-G141 PolarHBondContact O-N 3.09Å; G141-G145 PolarHBondContact O-N 3.41Å; G141-G255 WeakPolarHBondContact CA-O 3.44Å
142E89.9Confident89.3Confident88 Ų8859.3 Ų59.341%0.41131%0.314SS..Hα-helixtrans-67.4-42169.8-80.9-154-142.100113A138 G139 L140 G145 R146A138-E142 PolarHBondContact O-N 2.97Å; G139-E142 PolarHBondContact O-N 3.25Å; L140-E142 VanDerWaalsContact C-N 3.32Å; L140-E142 PolarHBondContact O-N 3.26Å; E142-G145 PolarHBondContact O-N 3.37Å; E142-R146 WeakPolarHBondContact O-CB 3.48Å; E142-R146 WeakPolarHBondContact O-CG 3.41Å; E142-R146 PolarHBondContact O-N 3.38Å; E142-R146 IonicContact OE2-CZ 3.49Å; E142-R146 IonicContact OE2-NE 2.62Å; E142-R146 PolarHBondContact OE2-NE 3.22Å; E142-R146 IonicContact OE2-NH2 2.72Å; E142-R146 PolarHBondContact OE2-NH2 3Å
143Y91.7Very high88.7Confident140 Ų14062 Ų6255%0.54931%0.314SS..Hα-helixtrans-60.1-47.9176.6174.9-95.2000111.6G139 L140 R146 T147G139-Y143 WeakPolarHBondContact O-CB 3.14Å; G139-Y143 PolarHBondContact O-N 3.17Å; L140-Y143 WeakPolarHBondContact O-CB 3.26Å; L140-Y143 PolarHBondContact O-N 2.96Å; L140-Y143 VanDerWaalsContact O-N 3.13Å; Y143-R146 PolarHBondContact O-N 3.5Å; Y143-T147 VanDerWaalsContact O-CB 3.24Å; Y143-T147 WeakPolarHBondContact O-CB 3.25Å; Y143-T147 PolarHBondContact O-N 3.37Å; Y143-T147 PolarHBondContact O-OG1 3.06Å
144F90.4Very high88.3Confident30 Ų3070.5 Ų70.513%0.13235%0.345CS..Hα-helixtrans-64.9-39.7174.9-62.1-47.7000111.9L140 T147 F148 F252 M259L140-F144 HydrophobicContact CB-CD2 4.47Å; L140-F144 HydrophobicContact CB-CE2 4.05Å; L140-F144 WeakPolarHBondContact O-CD2 3.49Å; L140-F144 WeakPolarHBondContact O-CG 3.24Å; L140-F144 PolarHBondContact O-N 3.47Å; F144-T147 PolarHBondContact O-N 2.92Å; F144-F148 VanDerWaalsContact O-CB 3.26Å; F144-F148 WeakPolarHBondContact O-CB 3.42Å; F144-F148 PolarHBondContact O-N 2.88Å; F144-F252 AromaticContact CE1-CD1 3.93Å; F144-F252 HydrophobicContact CE1-CD1 3.93Å; F144-F252 HydrophobicContact CE1-CE1 4.35Å; F144-F252 WeakPolarHBondContact CE2-O 3.19Å; F144-F252 HydrophobicContact CZ-CB 4.11Å; F144-F252 AromaticContact CZ-CD1 3.56Å; F144-F252 HydrophobicContact CZ-CD1 3.56Å; F144-F252 HydrophobicContact CZ-CE1 4.23Å; F144-F252 HydrophobicContact CZ-CG 4.01Å; F144-M259 HydrophobicContact CB-CB 4.23Å; F144-M259 HydrophobicContact CB-CG 4.2Å
145G86.2Confident87.8Confident12 Ų1275.8 Ų75.812%0.12436%0.359CS..Hα-helixtrans-59.6-50.8174.400000112.8G141 E142 T147 F148 E149G141-G145 PolarHBondContact O-N 3.41Å; E142-G145 PolarHBondContact O-N 3.37Å; G145-T147 VanDerWaalsContact C-N 3.3Å; G145-T147 PolarHBondContact O-N 2.86Å; G145-F148 PolarHBondContact O-N 3.47Å; G145-E149 WeakPolarHBondContact O-CB 3.21Å; G145-E149 WeakPolarHBondContact O-CG 3.43Å; G145-E149 PolarHBondContact O-N 3.01Å
146R88.1Confident86.9Confident156 Ų15674.1 Ų74.159%0.58935%0.347SS*.Hα-helixtrans-60.9-39.1176.9-67.6166.5-169.9-151.86.1111.6E142 Y143 A150E142-R146 WeakPolarHBondContact O-CB 3.48Å; E142-R146 WeakPolarHBondContact O-CG 3.41Å; E142-R146 PolarHBondContact O-N 3.38Å; E142-R146 IonicContact OE2-CZ 3.49Å; E142-R146 IonicContact OE2-NE 2.62Å; E142-R146 PolarHBondContact OE2-NE 3.22Å; E142-R146 IonicContact OE2-NH2 2.72Å; E142-R146 PolarHBondContact OE2-NH2 3Å; Y143-R146 PolarHBondContact O-N 3.5Å; R146-A150 WeakPolarHBondContact O-CB 3.49Å; R146-A150 PolarHBondContact O-N 3.32Å
147T87.9Confident86.3Confident49 Ų4978.1 Ų78.130%0.30136%0.362SS..Hα-helixtrans-70.1-47.9178.7-60.40000111.8Y143 F144 G145 E149 A150 I151Y143-T147 VanDerWaalsContact O-CB 3.24Å; Y143-T147 WeakPolarHBondContact O-CB 3.25Å; Y143-T147 PolarHBondContact O-N 3.37Å; Y143-T147 PolarHBondContact O-OG1 3.06Å; F144-T147 PolarHBondContact O-N 2.92Å; G145-T147 VanDerWaalsContact C-N 3.3Å; G145-T147 PolarHBondContact O-N 2.86Å; T147-E149 PolarHBondContact O-N 3.21Å; T147-A150 WeakPolarHBondContact O-CB 3.22Å; T147-A150 PolarHBondContact O-N 3.33Å; T147-A150 VanDerWaalsContact O-N 3.08Å; T147-I151 HydrophobicContact CG2-CD1 3.96Å; T147-I151 WeakPolarHBondContact O-CG1 3.26Å; T147-I151 PolarHBondContact O-N 3.36Å
148F85Confident85.7Confident42 Ų4284.8 Ų84.818%0.18439%0.387CS..Hα-helixtrans-59.9-44.6174.7177.6-98.4000111.3F144 G145 A150 I151 Y152 I179 A180 M259F144-F148 VanDerWaalsContact O-CB 3.26Å; F144-F148 WeakPolarHBondContact O-CB 3.42Å; F144-F148 PolarHBondContact O-N 2.88Å; G145-F148 PolarHBondContact O-N 3.47Å; F148-A150 VanDerWaalsContact C-N 3.31Å; F148-A150 PolarHBondContact O-N 3.47Å; F148-I151 PolarHBondContact O-N 3.48Å; F148-Y152 VanDerWaalsContact O-CB 3.27Å; F148-Y152 WeakPolarHBondContact O-CB 3.45Å; F148-Y152 PolarHBondContact O-N 3.13Å; F148-I179 HydrophobicContact CZ-CG2 4.24Å; F148-A180 HydrophobicContact CD1-CB 4.43Å; F148-A180 HydrophobicContact CE1-CB 3.78Å; F148-A180 HydrophobicContact CE2-CB 4.04Å; F148-A180 VanDerWaalsContact CZ-CA 3.46Å; F148-A180 HydrophobicContact CZ-CB 3.56Å; F148-M259 HydrophobicContact CD1-CE 4.22Å
149E82.1Confident84.8Confident85 Ų8586.6 Ų86.640%0.39739%0.391SS..Hα-helixtrans-61.5-37.9172.8-73.6-177.4-167.600112.4G145 T147 R153G145-E149 WeakPolarHBondContact O-CB 3.21Å; G145-E149 WeakPolarHBondContact O-CG 3.43Å; G145-E149 PolarHBondContact O-N 3.01Å; T147-E149 PolarHBondContact O-N 3.21Å; E149-R153 VanDerWaalsContact O-CB 3.23Å; E149-R153 WeakPolarHBondContact O-CB 3.39Å; E149-R153 WeakPolarHBondContact O-CG 3.48Å; E149-R153 PolarHBondContact O-N 3.35Å; E149-R153 PolarHBondContact O-NE 2.85Å; E149-R153 IonicContact OE2-CZ 3.41Å; E149-R153 IonicContact OE2-NH1 3.16Å; E149-R153 PolarHBondContact OE2-NH1 3.46Å; E149-R153 IonicContact OE2-NH2 2.68Å; E149-R153 PolarHBondContact OE2-NH2 3.2Å; E149-R153 VanDerWaalsContact OE2-NH2 3.13Å
150A85.6Confident83.7Confident46 Ų4688.7 Ų88.738%0.3839%0.389SS..Hα-helixtrans-67.2-41177.100000112R146 T147 F148 R154R146-A150 WeakPolarHBondContact O-CB 3.49Å; R146-A150 PolarHBondContact O-N 3.32Å; T147-A150 WeakPolarHBondContact O-CB 3.22Å; T147-A150 PolarHBondContact O-N 3.33Å; T147-A150 VanDerWaalsContact O-N 3.08Å; F148-A150 VanDerWaalsContact C-N 3.31Å; F148-A150 PolarHBondContact O-N 3.47Å; A150-R154 WeakPolarHBondContact O-CB 3.21Å; A150-R154 PolarHBondContact O-N 3.47Å
151I85.1Confident82.8Confident104 Ų10491.6 Ų91.653%0.53341%0.412SS..Hα-helixtrans-64.2-48.3173.3-67.5166.3000110.1T147 F148 R153 R154 Y155T147-I151 HydrophobicContact CG2-CD1 3.96Å; T147-I151 WeakPolarHBondContact O-CG1 3.26Å; T147-I151 PolarHBondContact O-N 3.36Å; F148-I151 PolarHBondContact O-N 3.48Å; I151-R153 PolarHBondContact O-N 3.4Å; I151-R154 CarbonylContact O-C 3.59Å; I151-R154 WeakPolarHBondContact O-CB 3.49Å; I151-R154 PolarHBondContact O-N 3.08Å; I151-R154 VanDerWaalsContact O-N 3.1Å; I151-Y155 WeakPolarHBondContact O-CB 3.4Å; I151-Y155 PolarHBondContact O-N 3.42Å
152Y81.3Confident81.7Confident62 Ų6295 Ų9524%0.24343%0.433CS..Hα-helixtrans-62.4-40.5177.5-179.9-110000112.3F148 K156 L171F148-Y152 VanDerWaalsContact O-CB 3.27Å; F148-Y152 WeakPolarHBondContact O-CB 3.45Å; F148-Y152 PolarHBondContact O-N 3.13Å; Y152-K156 WeakPolarHBondContact O-CB 3.32Å; Y152-K156 PolarHBondContact O-N 3.49Å; Y152-L171 WeakPolarHBondContact OH-CD1 3.33Å
153R80.9Confident80.3Confident139 Ų13994.3 Ų94.353%0.52543%0.432SS..Hα-helixtrans-61.9-41.1171.2-78.3-179.1-73.5-109.8-0.7111.8E149 I151 K157E149-R153 VanDerWaalsContact O-CB 3.23Å; E149-R153 WeakPolarHBondContact O-CB 3.39Å; E149-R153 WeakPolarHBondContact O-CG 3.48Å; E149-R153 PolarHBondContact O-N 3.35Å; E149-R153 PolarHBondContact O-NE 2.85Å; E149-R153 IonicContact OE2-CZ 3.41Å; E149-R153 IonicContact OE2-NH1 3.16Å; E149-R153 PolarHBondContact OE2-NH1 3.46Å; E149-R153 IonicContact OE2-NH2 2.68Å; E149-R153 PolarHBondContact OE2-NH2 3.2Å; E149-R153 VanDerWaalsContact OE2-NH2 3.13Å; I151-R153 PolarHBondContact O-N 3.4Å; R153-K157 WeakPolarHBondContact O-CB 3.43Å; R153-K157 PolarHBondContact O-N 3.02Å
154R84.7Confident78.6Confident200 Ų20096.9 Ų96.976%0.75545%0.451SS*.Hα-helixtrans-67.3-46.8177.5-171.9-178.1-68-176.6-0.7111.7A150 I151 K157 Y158A150-R154 WeakPolarHBondContact O-CB 3.21Å; A150-R154 PolarHBondContact O-N 3.47Å; I151-R154 CarbonylContact O-C 3.59Å; I151-R154 WeakPolarHBondContact O-CB 3.49Å; I151-R154 PolarHBondContact O-N 3.08Å; I151-R154 VanDerWaalsContact O-N 3.1Å; R154-K157 PolarHBondContact O-N 2.96Å; R154-Y158 WeakPolarHBondContact O-CB 3.38Å; R154-Y158 PolarHBondContact O-N 2.93Å
155Y81Confident76.8Confident134 Ų134104 Ų10453%0.52548%0.484SS..Hα-helixtrans-60.8-47.6175.2176.5-97.5000111.6I151 K157 Y158 K159I151-Y155 WeakPolarHBondContact O-CB 3.4Å; I151-Y155 PolarHBondContact O-N 3.42Å; Y155-K157 VanDerWaalsContact C-N 3.33Å; Y155-K157 PolarHBondContact O-N 2.81Å; Y155-Y158 PolarHBondContact O-N 2.79Å; Y155-K159 PolarHBondContact O-N 3.14Å
156K73.9Confident75.3Confident75 Ų75105.6 Ų105.633%0.32649%0.487SS..Hα-helixtrans-59-43.1174.8-179.1174.7177.2177.90111.6Y152 M160Y152-K156 WeakPolarHBondContact O-CB 3.32Å; Y152-K156 PolarHBondContact O-N 3.49Å; K156-M160 HydrophobicContact CD-SD 4.41Å; K156-M160 HydrophobicContact CG-CE 4.47Å; K156-M160 HydrophobicContact CG-SD 3.82Å; K156-M160 VanDerWaalsContact O-CB 3.26Å; K156-M160 WeakPolarHBondContact O-CB 3.45Å; K156-M160 WeakPolarHBondContact O-CG 3.39Å; K156-M160 PolarHBondContact O-N 3.46Å
157K80Confident73.7Confident162 Ų162103.5 Ų103.570%0.70449%0.492SS*.Hα-helixtrans-63.9-42.6175.7-174.1-177.8177.3-1730111.9R153 R154 Y155 M160 S161R153-K157 WeakPolarHBondContact O-CB 3.43Å; R153-K157 PolarHBondContact O-N 3.02Å; R154-K157 PolarHBondContact O-N 2.96Å; Y155-K157 VanDerWaalsContact C-N 3.33Å; Y155-K157 PolarHBondContact O-N 2.81Å; K157-M160 PolarHBondContact O-N 3.48Å; K157-S161 PolarHBondContact O-N 2.96Å; K157-S161 VanDerWaalsContact O-N 3.1Å; K157-S161 PolarHBondContact O-OG 2.87Å
158Y79Confident72.2Confident154 Ų154103.9 Ų103.960%0.60450%0.495SS*.Hα-helixtrans-61.9-50.4177.6177.8-100.8000111.3R154 Y155 M160 S161 T162R154-Y158 WeakPolarHBondContact O-CB 3.38Å; R154-Y158 PolarHBondContact O-N 2.93Å; Y155-Y158 PolarHBondContact O-N 2.79Å; Y158-M160 VanDerWaalsContact C-N 3.32Å; Y158-M160 PolarHBondContact O-N 2.94Å; Y158-S161 WeakPolarHBondContact CA-OG 3.41Å; Y158-S161 WeakPolarHBondContact O-CA 3.46Å; Y158-S161 PolarHBondContact O-N 3.1Å; Y158-S161 PolarHBondContact O-OG 3.21Å; Y158-T162 HydrophobicContact CE1-CG2 4.2Å; Y158-T162 HydrophobicContact CE2-CG2 4.43Å; Y158-T162 PolarHBondContact O-N 3.38Å; Y158-T162 VanDerWaalsContact O-N 3.09Å
159K72.7Confident70.7Confident64 Ų64105 Ų10528%0.27851%0.506SS..Hα-helixtrans-63.5-36.4177.1-169.3163-174.81700112.9Y155 S161 T162 D163 Y166Y155-K159 PolarHBondContact O-N 3.14Å; K159-S161 PolarHBondContact O-N 2.94Å; K159-T162 PolarHBondContact O-N 2.97Å; K159-T162 PolarHBondContact O-OG1 3.44Å; K159-T162 VanDerWaalsContact O-OG1 3.14Å; K159-D163 WeakPolarHBondContact CE-OD2 3.21Å; K159-D163 PolarHBondContact O-N 3.28Å; K159-Y166 HydrophobicContact CD-CD2 4Å; K159-Y166 HydrophobicContact CD-CE2 3.62Å; K159-Y166 HydrophobicContact CG-CD1 4.48Å; K159-Y166 HydrophobicContact CG-CD2 4.02Å; K159-Y166 HydrophobicContact CG-CE1 4.48Å; K159-Y166 HydrophobicContact CG-CE2 4.05Å; K159-Y166 HydrophobicContact CG-CG 4.24Å
160M68.2Low69.4Low87 Ų87105.8 Ų105.843%0.42951%0.51SS..Hα-helixtrans-66.4-14.5170.5-77.7174.7149.700114.4K156 K157 Y158 Y166 P168K156-M160 HydrophobicContact CD-SD 4.41Å; K156-M160 HydrophobicContact CG-CE 4.47Å; K156-M160 HydrophobicContact CG-SD 3.82Å; K156-M160 VanDerWaalsContact O-CB 3.26Å; K156-M160 WeakPolarHBondContact O-CB 3.45Å; K156-M160 WeakPolarHBondContact O-CG 3.39Å; K156-M160 PolarHBondContact O-N 3.46Å; K157-M160 PolarHBondContact O-N 3.48Å; Y158-M160 VanDerWaalsContact C-N 3.32Å; Y158-M160 PolarHBondContact O-N 2.94Å; M160-Y166 HydrophobicContact CE-CD1 4.27Å; M160-Y166 HydrophobicContact CE-CE1 4.43Å; M160-Y166 HydrophobicContact CG-CD1 3.61Å; M160-Y166 HydrophobicContact CG-CE1 4.07Å; M160-P168 HydrophobicContact CE-CB 3.94Å; M160-P168 HydrophobicContact CE-CG 3.97Å
161S73.8Confident67.9Low91 Ų91106.2 Ų106.264%0.63651%0.506SS*.Hα-helixtrans-99.7-17.7174.556.70000114.3K157 Y158 K159K157-S161 PolarHBondContact O-N 2.96Å; K157-S161 VanDerWaalsContact O-N 3.1Å; K157-S161 PolarHBondContact O-OG 2.87Å; Y158-S161 WeakPolarHBondContact CA-OG 3.41Å; Y158-S161 WeakPolarHBondContact O-CA 3.46Å; Y158-S161 PolarHBondContact O-N 3.1Å; Y158-S161 PolarHBondContact O-OG 3.21Å; K159-S161 PolarHBondContact O-N 2.94Å
162T68.5Low66.8Low76 Ų76102.8 Ų102.847%0.46650%0.496SS..Hα-helixtrans-88.8-44.6172.354.70000111.8Y158 K159Y158-T162 HydrophobicContact CE1-CG2 4.2Å; Y158-T162 HydrophobicContact CE2-CG2 4.43Å; Y158-T162 PolarHBondContact O-N 3.38Å; Y158-T162 VanDerWaalsContact O-N 3.09Å; K159-T162 PolarHBondContact O-N 2.97Å; K159-T162 PolarHBondContact O-OG1 3.44Å; K159-T162 VanDerWaalsContact O-OG1 3.14Å
163D60Low66Low73 Ų73102.7 Ų102.739%0.3950%0.499SS..  trans-103.894.8-172.9-68.2-30.9000110.7K159 H165 Y166K159-D163 WeakPolarHBondContact CE-OD2 3.21Å; K159-D163 PolarHBondContact O-N 3.28Å; D163-H165 PolarHBondContact O-N 3.5Å; D163-H165 VanDerWaalsContact O-N 3.09Å; D163-Y166 VanDerWaalsContact O-CB 3.26Å; D163-Y166 WeakPolarHBondContact O-CB 3.29Å; D163-Y166 PolarHBondContact O-N 2.89Å
164M56.1Low65.5Low194 Ų194102.3 Ų102.396%0.95651%0.506SS*.THydrogen-bonded Turntrans-57.2-24.9175.2-166.577.577.300112.7
165H53.8Low64.8Low178 Ų17895.2 Ų95.282%0.82449%0.485SS*.THydrogen-bonded Turntrans-96.412.7176.9-118.486.1000113.9D163 V167D163-H165 PolarHBondContact O-N 3.5Å; D163-H165 VanDerWaalsContact O-N 3.09Å; H165-V167 VanDerWaalsContact C-N 3.28Å; H165-V167 PolarHBondContact O-N 3.48Å
166Y53.7Low64.3Low46 Ų4690.2 Ų90.218%0.1847%0.468CS..  trans-72.882.5176.1-173.3-109.9000111.7K159 M160 D163 P168 P169K159-Y166 HydrophobicContact CD-CD2 4Å; K159-Y166 HydrophobicContact CD-CE2 3.62Å; K159-Y166 HydrophobicContact CG-CD1 4.48Å; K159-Y166 HydrophobicContact CG-CD2 4.02Å; K159-Y166 HydrophobicContact CG-CE1 4.48Å; K159-Y166 HydrophobicContact CG-CE2 4.05Å; K159-Y166 HydrophobicContact CG-CG 4.24Å; M160-Y166 HydrophobicContact CE-CD1 4.27Å; M160-Y166 HydrophobicContact CE-CE1 4.43Å; M160-Y166 HydrophobicContact CG-CD1 3.61Å; M160-Y166 HydrophobicContact CG-CE1 4.07Å; D163-Y166 VanDerWaalsContact O-CB 3.26Å; D163-Y166 WeakPolarHBondContact O-CB 3.29Å; D163-Y166 PolarHBondContact O-N 2.89Å; Y166-P168 HydrophobicContact CE1-CB 4.28Å; Y166-P168 VanDerWaalsContact O-CD 3.3Å; Y166-P168 WeakPolarHBondContact O-CD 3.49Å; Y166-P168 VanDerWaalsContact O-N 3.13Å; Y166-P169 HydrophobicContact CE2-CG 4.42Å; Y166-P169 WeakPolarHBondContact OH-CD 3.3Å
167V54Low64.4Low113 Ų11388.4 Ų88.469%0.68546%0.464SS*.  trans-53.6116152.3-174.40000106H165 P169H165-V167 VanDerWaalsContact C-N 3.28Å; H165-V167 PolarHBondContact O-N 3.48Å; V167-P169 VanDerWaalsContact O-CD 3.3Å; V167-P169 WeakPolarHBondContact O-CD 3.3Å
168P56.1Low64.3Low56 Ų5684 Ų8436%0.36445%0.45SS..  trans-60.7119.9173.824.7-31000106.4M160 Y166 Q170M160-P168 HydrophobicContact CE-CB 3.94Å; M160-P168 HydrophobicContact CE-CG 3.97Å; Y166-P168 HydrophobicContact CE1-CB 4.28Å; Y166-P168 VanDerWaalsContact O-CD 3.3Å; Y166-P168 WeakPolarHBondContact O-CD 3.49Å; Y166-P168 VanDerWaalsContact O-N 3.13Å; P168-Q170 PolarHBondContact O-N 3.16Å
169P55.3Low64.4Low67 Ų6780.1 Ų80.144%0.43544%0.439SS..  trans-57.8144.5175.9-8.218.6000106.8Y166 V167 L171Y166-P169 HydrophobicContact CE2-CG 4.42Å; Y166-P169 WeakPolarHBondContact OH-CD 3.3Å; V167-P169 VanDerWaalsContact O-CD 3.3Å; V167-P169 WeakPolarHBondContact O-CD 3.3Å; P169-L171 HydrophobicContact CB-CD2 4.12Å; P169-L171 HydrophobicContact CB-CG 3.97Å; P169-L171 HydrophobicContact CG-CD2 4.31Å; P169-L171 HydrophobicContact CG-CG 4.17Å; P169-L171 PolarHBondContact O-N 3.41Å
170Q54.2Low64.6Low100 Ų10077.3 Ų77.347%0.46743%0.428SS..  trans-71.661.9165.3-71.7-148.641.600108.6P168 G172P168-Q170 PolarHBondContact O-N 3.16Å; Q170-G172 VanDerWaalsContact C-N 3.34Å; Q170-G172 PolarHBondContact O-N 3.37Å
171L53.6Low65.4Low56 Ų5676.2 Ų76.229%0.29342%0.423SS..  trans-47100.6176.3-76.9177.1000107Y152 P169 T175 T176 I179Y152-L171 WeakPolarHBondContact OH-CD1 3.33Å; P169-L171 HydrophobicContact CB-CD2 4.12Å; P169-L171 HydrophobicContact CB-CG 3.97Å; P169-L171 HydrophobicContact CG-CD2 4.31Å; P169-L171 HydrophobicContact CG-CG 4.17Å; P169-L171 PolarHBondContact O-N 3.41Å; L171-T175 WeakPolarHBondContact CA-OG1 3.33Å; L171-T175 VanDerWaalsContact CB-OG1 3.25Å; L171-T175 WeakPolarHBondContact CB-OG1 3.46Å; L171-T175 HydrophobicContact CD2-CG2 4.4Å; L171-T176 HydrophobicContact CB-CG2 4.35Å; L171-I179 HydrophobicContact CD1-CD1 4.49Å
172G61.7Low65.9Low31 Ų3177 Ų7732%0.3242%0.419SS..  trans-58.5155.8-177.400000108.7Q170 I174 T175 T176Q170-G172 VanDerWaalsContact C-N 3.34Å; Q170-G172 PolarHBondContact O-N 3.37Å; G172-I174 CarbonylContact O-C 3.58Å; G172-I174 PolarHBondContact O-N 3.09Å; G172-T175 PolarHBondContact N-OG1 2.83Å; G172-T175 VanDerWaalsContact N-OG1 3.13Å; G172-T175 WeakPolarHBondContact O-CA 3.19Å; G172-T175 PolarHBondContact O-N 2.7Å; G172-T175 PolarHBondContact O-OG1 3.04Å; G172-T176 PolarHBondContact O-N 2.83Å
173L65.5Low66.7Low61 Ų6176.7 Ų76.732%0.31942%0.418SS..Hα-helixtrans-55.3-31.9-175.3-166.4141.5000112.1T175 T176 V177L173-T175 PolarHBondContact O-N 3.36Å; L173-T176 PolarHBondContact O-N 3.19Å; L173-T176 PolarHBondContact O-OG1 3.12Å; L173-V177 HydrophobicContact CD2-CG2 3.79Å; L173-V177 VanDerWaalsContact O-CG2 3.29Å; L173-V177 WeakPolarHBondContact O-CG2 3.4Å; L173-V177 PolarHBondContact O-N 2.98Å
174I68.9Low67.9Low131 Ų13173.4 Ų73.467%0.67240%0.402SS*.Hα-helixtrans-52.5-51.2169.3-58.9168.3000111.8G172 T176 V177 V178G172-I174 CarbonylContact O-C 3.58Å; G172-I174 PolarHBondContact O-N 3.09Å; I174-T176 VanDerWaalsContact C-N 3.34Å; I174-T176 PolarHBondContact O-N 3.38Å; I174-V177 WeakPolarHBondContact O-CB 3.17Å; I174-V177 PolarHBondContact O-N 2.89Å; I174-V178 WeakPolarHBondContact O-CG2 3.16Å; I174-V178 PolarHBondContact O-N 3.49Å
175T70Confident69.4Low51 Ų5167.4 Ų67.431%0.31337%0.373SS..Hα-helixtrans-66.7-32.1-179.860.70000113L171 G172 L173 V178 I179L171-T175 WeakPolarHBondContact CA-OG1 3.33Å; L171-T175 VanDerWaalsContact CB-OG1 3.25Å; L171-T175 WeakPolarHBondContact CB-OG1 3.46Å; L171-T175 HydrophobicContact CD2-CG2 4.4Å; G172-T175 PolarHBondContact N-OG1 2.83Å; G172-T175 VanDerWaalsContact N-OG1 3.13Å; G172-T175 WeakPolarHBondContact O-CA 3.19Å; G172-T175 PolarHBondContact O-N 2.7Å; G172-T175 PolarHBondContact O-OG1 3.04Å; L173-T175 PolarHBondContact O-N 3.36Å; T175-V178 PolarHBondContact O-N 2.92Å; T175-I179 WeakPolarHBondContact O-CB 3.44Å; T175-I179 WeakPolarHBondContact O-CD1 3.44Å; T175-I179 WeakPolarHBondContact O-CG1 3.45Å; T175-I179 PolarHBondContact O-N 3.5Å
176T71.7Confident71.1Confident28 Ų2861.1 Ų61.117%0.17235%0.352CS..Hα-helixtrans-75.6-28.8173.157.40000112.6L171 G172 L173 I174 A180L171-T176 HydrophobicContact CB-CG2 4.35Å; G172-T176 PolarHBondContact O-N 2.83Å; L173-T176 PolarHBondContact O-N 3.19Å; L173-T176 PolarHBondContact O-OG1 3.12Å; I174-T176 VanDerWaalsContact C-N 3.34Å; I174-T176 PolarHBondContact O-N 3.38Å; T176-A180 VanDerWaalsContact O-CB 3.3Å; T176-A180 WeakPolarHBondContact O-CB 3.29Å; T176-A180 PolarHBondContact O-N 2.77Å; T176-A180 VanDerWaalsContact O-N 3.12Å
177V75Confident72.8Confident38 Ų3863.4 Ų63.423%0.2337%0.367CS..Hα-helixtrans-63-50.2166.8174.50000109.9L173 I174 I179 A180 L181 F263L173-V177 HydrophobicContact CD2-CG2 3.79Å; L173-V177 VanDerWaalsContact O-CG2 3.29Å; L173-V177 WeakPolarHBondContact O-CG2 3.4Å; L173-V177 PolarHBondContact O-N 2.98Å; I174-V177 WeakPolarHBondContact O-CB 3.17Å; I174-V177 PolarHBondContact O-N 2.89Å; V177-I179 PolarHBondContact O-N 2.79Å; V177-A180 WeakPolarHBondContact O-CB 3.35Å; V177-A180 PolarHBondContact O-N 2.71Å; V177-A180 VanDerWaalsContact O-N 3.12Å; V177-L181 VanDerWaalsContact O-CB 3.3Å; V177-L181 WeakPolarHBondContact O-CB 3.31Å; V177-L181 PolarHBondContact O-N 3.38Å; V177-F263 HydrophobicContact CB-CD1 4.43Å; V177-F263 HydrophobicContact CB-CE1 4.24Å; V177-F263 HydrophobicContact CG2-CD1 3.74Å; V177-F263 HydrophobicContact CG2-CE1 3.61Å
178V79.2Confident74.5Confident69 Ų6959 Ų5942%0.41834%0.338SS..Hα-helixtrans-61.2-46-178.2170.40000111.5I174 T175 A180 L181 I182I174-V178 WeakPolarHBondContact O-CG2 3.16Å; I174-V178 PolarHBondContact O-N 3.49Å; T175-V178 PolarHBondContact O-N 2.92Å; V178-A180 VanDerWaalsContact C-N 3.26Å; V178-A180 PolarHBondContact O-N 3Å; V178-L181 PolarHBondContact O-N 3.35Å; V178-I182 HydrophobicContact CG1-CD1 3.66Å; V178-I182 HydrophobicContact CG1-CG1 4.32Å; V178-I182 WeakPolarHBondContact O-CG1 3.26Å; V178-I182 PolarHBondContact O-N 3.35Å; V178-I182 VanDerWaalsContact O-N 3.07Å
179I79.8Confident76.3Confident73 Ų7357.8 Ų57.837%0.37433%0.329SS..Hα-helixtrans-65.3-29176.7-66.4165000111.9F148 L171 T175 V177 P183F148-I179 HydrophobicContact CZ-CG2 4.24Å; L171-I179 HydrophobicContact CD1-CD1 4.49Å; T175-I179 WeakPolarHBondContact O-CB 3.44Å; T175-I179 WeakPolarHBondContact O-CD1 3.44Å; T175-I179 WeakPolarHBondContact O-CG1 3.45Å; T175-I179 PolarHBondContact O-N 3.5Å; V177-I179 PolarHBondContact O-N 2.79Å; I179-P183 WeakPolarHBondContact O-CD 3.47Å
180A78.5Confident78.1Confident5 Ų558.1 Ų58.14%0.04133%0.326CS..Hα-helixtrans-76.3-33.6173.400000113.2F148 T176 V177 V178 Y256 M259F148-A180 HydrophobicContact CD1-CB 4.43Å; F148-A180 HydrophobicContact CE1-CB 3.78Å; F148-A180 HydrophobicContact CE2-CB 4.04Å; F148-A180 VanDerWaalsContact CZ-CA 3.46Å; F148-A180 HydrophobicContact CZ-CB 3.56Å; T176-A180 VanDerWaalsContact O-CB 3.3Å; T176-A180 WeakPolarHBondContact O-CB 3.29Å; T176-A180 PolarHBondContact O-N 2.77Å; T176-A180 VanDerWaalsContact O-N 3.12Å; V177-A180 WeakPolarHBondContact O-CB 3.35Å; V177-A180 PolarHBondContact O-N 2.71Å; V177-A180 VanDerWaalsContact O-N 3.12Å; V178-A180 VanDerWaalsContact C-N 3.26Å; V178-A180 PolarHBondContact O-N 3Å; A180-Y256 PolarHBondContact O-OH 3.44Å; A180-M259 HydrophobicContact CB-CE 4.37Å
181L84.3Confident79.9Confident64 Ų6457.6 Ų57.634%0.33533%0.326SS..Hα-helixtrans-78.7-44.3-173.9-176.265.9000113.1V177 V178 G184 I185 I260V177-L181 VanDerWaalsContact O-CB 3.3Å; V177-L181 WeakPolarHBondContact O-CB 3.31Å; V177-L181 PolarHBondContact O-N 3.38Å; V178-L181 PolarHBondContact O-N 3.35Å; L181-G184 PolarHBondContact O-N 2.97Å; L181-G184 VanDerWaalsContact O-N 3.09Å; L181-I185 HydrophobicContact CD1-CD1 4.15Å; L181-I185 HydrophobicContact CD1-CG1 4.21Å; L181-I185 HydrophobicContact CD2-CD1 4.15Å; L181-I185 HydrophobicContact CG-CD1 3.75Å; L181-I185 HydrophobicContact CG-CG1 4.2Å; L181-I185 PolarHBondContact O-N 2.99Å; L181-I260 HydrophobicContact CD1-CD1 3.73Å; L181-I260 HydrophobicContact CD1-CG1 4.5Å
182I84.5Confident81.8Confident108 Ų10854.9 Ų54.955%0.55431%0.312SS*.Hα-helixtrans-50.7-54.4-178-70.5163.8000113.5V178 G184 I185 A186V178-I182 HydrophobicContact CG1-CD1 3.66Å; V178-I182 HydrophobicContact CG1-CG1 4.32Å; V178-I182 WeakPolarHBondContact O-CG1 3.26Å; V178-I182 PolarHBondContact O-N 3.35Å; V178-I182 VanDerWaalsContact O-N 3.07Å; I182-G184 PolarHBondContact O-N 3.02Å; I182-I185 PolarHBondContact O-N 3.13Å; I182-A186 PolarHBondContact O-N 3.14Å
183P84Confident83.3Confident68 Ų6853.4 Ų53.444%0.44230%0.297SS..Hα-helixtrans-66.5-26.5-178.826.8-35.3000112.7I179 L187I179-P183 WeakPolarHBondContact O-CD 3.47Å; P183-L187 VanDerWaalsContact O-CB 3.26Å; P183-L187 WeakPolarHBondContact O-CB 3.32Å; P183-L187 PolarHBondContact O-N 3.47Å
184G85.9Confident84.6Confident4 Ų459.7 Ų59.74%0.04132%0.316CS..Hα-helixtrans-73.9-41.8176.600000113.6L181 I182 A186 L187 F188 Y256L181-G184 PolarHBondContact O-N 2.97Å; L181-G184 VanDerWaalsContact O-N 3.09Å; I182-G184 PolarHBondContact O-N 3.02Å; G184-A186 VanDerWaalsContact C-N 3.28Å; G184-A186 PolarHBondContact O-N 3Å; G184-L187 PolarHBondContact O-N 2.77Å; G184-F188 WeakPolarHBondContact O-CB 3.41Å; G184-F188 PolarHBondContact O-N 2.89Å; G184-Y256 VanDerWaalsContact CA-CE1 3.47Å; G184-Y256 VanDerWaalsContact CA-CZ 3.5Å; G184-Y256 WeakPolarHBondContact CA-OH 3.46Å
185I88.3Confident85.7Confident69 Ų6955 Ų5535%0.35429%0.294SS..Hα-helixtrans-58.5-44.9172.3-68.6174.7000109.8L181 I182 L189 L190L181-I185 HydrophobicContact CD1-CD1 4.15Å; L181-I185 HydrophobicContact CD1-CG1 4.21Å; L181-I185 HydrophobicContact CD2-CD1 4.15Å; L181-I185 HydrophobicContact CG-CD1 3.75Å; L181-I185 HydrophobicContact CG-CG1 4.2Å; L181-I185 PolarHBondContact O-N 2.99Å; I182-I185 PolarHBondContact O-N 3.13Å; I185-L189 HydrophobicContact CG2-CD1 4.46Å; I185-L189 WeakPolarHBondContact O-CA 3.37Å; I185-L189 WeakPolarHBondContact O-CB 3.43Å; I185-L189 PolarHBondContact O-N 3.19Å; I185-L189 VanDerWaalsContact O-N 3.1Å; I185-L190 HydrophobicContact CG2-CG 4.32Å; I185-L190 PolarHBondContact O-N 2.7Å
186A88.3Confident86.8Confident46 Ų4652.6 Ų52.638%0.3828%0.279SS..Iπ-helixtrans-61.8-48.6177.400000112.8I182 G184 L190 L191I182-A186 PolarHBondContact O-N 3.14Å; G184-A186 VanDerWaalsContact C-N 3.28Å; G184-A186 PolarHBondContact O-N 3Å; A186-L190 PolarHBondContact O-N 3.13Å; A186-L191 WeakPolarHBondContact O-CB 3.13Å; A186-L191 PolarHBondContact O-N 2.97Å
187L89.5Confident87.7Confident94 Ų9453.4 Ų53.449%0.49228%0.284SS..Iπ-helixtrans-83.9-30.7-170.7-168.8143.7000114.3P183 G184 P192P183-L187 VanDerWaalsContact O-CB 3.26Å; P183-L187 WeakPolarHBondContact O-CB 3.32Å; P183-L187 PolarHBondContact O-N 3.47Å; G184-L187 PolarHBondContact O-N 2.77Å; L187-P192 WeakPolarHBondContact O-CD 3.37Å
188F91.2Very high88.4Confident19 Ų1959 Ų598%0.08330%0.302CS..Iπ-helixtrans-108.8-11.9-175.7-62.5-63.3000114.9G184 P192 W249 F252 S253 Y256G184-F188 WeakPolarHBondContact O-CB 3.41Å; G184-F188 PolarHBondContact O-N 2.89Å; F188-P192 VanDerWaalsContact O-CG 3.28Å; F188-P192 WeakPolarHBondContact O-CG 3.48Å; F188-W249 PolarHBondContact O-NE1 2.87Å; F188-F252 HydrophobicContact CE1-CB 3.76Å; F188-F252 HydrophobicContact CZ-CB 4.28Å; F188-S253 WeakPolarHBondContact CD1-OG 3.36Å; F188-Y256 AromaticContact CD2-CD1 3.31Å; F188-Y256 HydrophobicContact CD2-CD1 3.31Å; F188-Y256 HydrophobicContact CD2-CD2 4.34Å; F188-Y256 AromaticContact CD2-CE1 3.95Å; F188-Y256 HydrophobicContact CD2-CE1 3.95Å; F188-Y256 AromaticContact CD2-CG 3.55Å; F188-Y256 HydrophobicContact CD2-CG 3.55Å; F188-Y256 AromaticContact CE2-CD1 3.64Å; F188-Y256 HydrophobicContact CE2-CD1 3.64Å; F188-Y256 AromaticContact CE2-CD2 3.85Å; F188-Y256 HydrophobicContact CE2-CD2 3.85Å; F188-Y256 HydrophobicContact CE2-CE1 4.41Å; F188-Y256 AromaticContact CE2-CG 3.31Å; F188-Y256 HydrophobicContact CE2-CG 3.31Å; F188-Y256 HydrophobicContact CG-CD1 4.28Å; F188-Y256 HydrophobicContact CZ-CG 4.29Å
189L92.2Very high88.8Confident31 Ų3157 Ų5716%0.16229%0.288CS..Iπ-helixtrans-116.1-59.3171.2-57.6175.4000111.7I185 P192 S193 Y212 T215I185-L189 HydrophobicContact CG2-CD1 4.46Å; I185-L189 WeakPolarHBondContact O-CA 3.37Å; I185-L189 WeakPolarHBondContact O-CB 3.43Å; I185-L189 PolarHBondContact O-N 3.19Å; I185-L189 VanDerWaalsContact O-N 3.1Å; L189-P192 WeakPolarHBondContact O-CD 3.01Å; L189-P192 WeakPolarHBondContact O-CG 3.45Å; L189-S193 WeakPolarHBondContact O-CB 3.45Å; L189-S193 PolarHBondContact O-N 3.42Å; L189-S193 PolarHBondContact O-OG 2.95Å; L189-Y212 HydrophobicContact CD1-CD2 4.33Å; L189-T215 HydrophobicContact CD2-CG2 4.45Å
190L93.6Very high89.2Confident74 Ų7454 Ų5439%0.38727%0.272SS..Iπ-helixtrans-69.5-46.9-169.2-57-176.9000113.8I185 A186 S193 Y204 L208I185-L190 HydrophobicContact CG2-CG 4.32Å; I185-L190 PolarHBondContact O-N 2.7Å; A186-L190 PolarHBondContact O-N 3.13Å; L190-S193 WeakPolarHBondContact O-CB 3.18Å; L190-S193 PolarHBondContact O-N 3.26Å; L190-Y204 PolarHBondContact O-OH 3.44Å; L190-L208 HydrophobicContact CD2-CD1 3.76Å
191L92.8Very high89.5Confident89 Ų8959.8 Ų59.847%0.46630%0.303SS..Hα-helixtrans-60.9-55.6177.9-174.2166.7000113.2A186 S193 W194 V195A186-L191 WeakPolarHBondContact O-CB 3.13Å; A186-L191 PolarHBondContact O-N 2.97Å; L191-S193 PolarHBondContact O-N 2.9Å; L191-W194 PolarHBondContact O-N 3.14Å; L191-W194 VanDerWaalsContact O-N 3.12Å; L191-V195 HydrophobicContact CD2-CG2 4.4Å
192P92.4Very high89.8Confident0 Ų058.3 Ų58.30%029%0.293CS..Hα-helixtrans-63-29.1-179.725.5-36.1000112.1L187 F188 L189 W194 V195 F196 F245 W249L187-P192 WeakPolarHBondContact O-CD 3.37Å; F188-P192 VanDerWaalsContact O-CG 3.28Å; F188-P192 WeakPolarHBondContact O-CG 3.48Å; L189-P192 WeakPolarHBondContact O-CD 3.01Å; L189-P192 WeakPolarHBondContact O-CG 3.45Å; P192-W194 VanDerWaalsContact C-N 3.31Å; P192-W194 PolarHBondContact O-N 3.35Å; P192-V195 WeakPolarHBondContact O-CA 3.3Å; P192-V195 WeakPolarHBondContact O-CB 3.29Å; P192-V195 PolarHBondContact O-N 3.09Å; P192-F196 HydrophobicContact CB-CD2 4.34Å; P192-F196 HydrophobicContact CB-CE2 3.98Å; P192-F196 WeakPolarHBondContact O-CD2 3.46Å; P192-F196 PolarHBondContact O-N 2.7Å; P192-F245 HydrophobicContact CB-CZ 4.33Å; P192-W249 HydrophobicContact CB-CD2 4.2Å; P192-W249 HydrophobicContact CB-CG 4.24Å; P192-W249 HydrophobicContact CB-CZ2 4.3Å; P192-W249 HydrophobicContact CG-CZ2 4.28Å; P192-W249 VanDerWaalsContact CG-NE1 3.35Å
193S93.8Very high90.2Very high0 Ų056.7 Ų56.70%029%0.289CS..Hα-helixtrans-59-38.8174.2-59.70000112.6L189 L190 L191 V195 F196 T197 S207 L208 S211L189-S193 WeakPolarHBondContact O-CB 3.45Å; L189-S193 PolarHBondContact O-N 3.42Å; L189-S193 PolarHBondContact O-OG 2.95Å; L190-S193 WeakPolarHBondContact O-CB 3.18Å; L190-S193 PolarHBondContact O-N 3.26Å; L191-S193 PolarHBondContact O-N 2.9Å; S193-V195 VanDerWaalsContact C-N 3.32Å; S193-V195 PolarHBondContact O-N 3.28Å; S193-F196 PolarHBondContact O-N 2.92Å; S193-T197 PolarHBondContact O-N 3.1Å; S193-T197 PolarHBondContact O-OG1 3.48Å; S193-S207 VanDerWaalsContact O-CB 3.22Å; S193-S207 WeakPolarHBondContact O-CB 3.42Å; S193-S207 PolarHBondContact OG-O 3.42Å; S193-L208 WeakPolarHBondContact OG-CA 3.2Å; S193-S211 PolarHBondContact OG-OG 3.39Å
194W93.5Very high90.8Very high192 Ų19257.3 Ų57.373%0.72728%0.283SS*.Hα-helixtrans-64.1-36.5172.2-79.8-6.8000112.4L191 P192 T197 Y198 Y204L191-W194 PolarHBondContact O-N 3.14Å; L191-W194 VanDerWaalsContact O-N 3.12Å; P192-W194 VanDerWaalsContact C-N 3.31Å; P192-W194 PolarHBondContact O-N 3.35Å; W194-T197 PolarHBondContact O-N 2.99Å; W194-Y198 PolarHBondContact O-N 2.89Å; W194-Y198 VanDerWaalsContact O-N 3.1Å; W194-Y204 AromaticContact CD1-CD2 3.57Å; W194-Y204 AromaticContact CD1-CE2 3.19Å; W194-Y204 HydrophobicContact CG-CE2 4.2Å; W194-Y204 AromaticContact NE1-CE2 3.68Å
195V92.2Very high91.2Very high33 Ų3361.2 Ų61.220%0.231%0.31CS..Hα-helixtrans-65.6-43.5176.5-174.70000110.6L191 P192 S193 Y198 F199 Y242 F245L191-V195 HydrophobicContact CD2-CG2 4.4Å; P192-V195 WeakPolarHBondContact O-CA 3.3Å; P192-V195 WeakPolarHBondContact O-CB 3.29Å; P192-V195 PolarHBondContact O-N 3.09Å; S193-V195 VanDerWaalsContact C-N 3.32Å; S193-V195 PolarHBondContact O-N 3.28Å; V195-Y198 PolarHBondContact O-N 3.27Å; V195-F199 HydrophobicContact CG1-CD2 3.68Å; V195-F199 HydrophobicContact CG1-CE2 3.88Å; V195-F199 WeakPolarHBondContact O-CD2 3.36Å; V195-F199 PolarHBondContact O-N 3.3Å; V195-Y242 HydrophobicContact CG1-CD2 4.17Å; V195-Y242 HydrophobicContact CG1-CE2 4.21Å; V195-F245 HydrophobicContact CB-CE1 3.97Å; V195-F245 HydrophobicContact CB-CZ 4.32Å; V195-F245 HydrophobicContact CG1-CD1 4Å; V195-F245 HydrophobicContact CG1-CE1 3.68Å; V195-F245 HydrophobicContact CG1-CZ 4.32Å; V195-F245 HydrophobicContact CG2-CE1 4.15Å; V195-F245 HydrophobicContact CG2-CZ 3.99Å
196F91.9Very high91.5Very high0 Ų059.8 Ų59.80%030%0.303CS..Hα-helixtrans-66.4-38.3175.6-68.5-62.2000112.9P192 S193 Y198 E200 Y210 Y242 V246 W249P192-F196 HydrophobicContact CB-CD2 4.34Å; P192-F196 HydrophobicContact CB-CE2 3.98Å; P192-F196 WeakPolarHBondContact O-CD2 3.46Å; P192-F196 PolarHBondContact O-N 2.7Å; S193-F196 PolarHBondContact O-N 2.92Å; F196-Y198 VanDerWaalsContact C-N 3.27Å; F196-Y198 PolarHBondContact O-N 3.42Å; F196-E200 WeakPolarHBondContact O-CB 3.24Å; F196-E200 PolarHBondContact O-N 3.49Å; F196-Y210 HydrophobicContact CD1-CD1 4.25Å; F196-Y210 HydrophobicContact CD1-CE1 4.02Å; F196-Y210 AromaticContact CD2-CD1 3.97Å; F196-Y210 HydrophobicContact CD2-CD1 3.97Å; F196-Y210 HydrophobicContact CD2-CE1 4.09Å; F196-Y210 HydrophobicContact CE1-CD1 4.35Å; F196-Y210 AromaticContact CE1-CE1 3.68Å; F196-Y210 HydrophobicContact CE1-CE1 3.68Å; F196-Y210 HydrophobicContact CE2-CD1 4.06Å; F196-Y210 AromaticContact CE2-CE1 3.74Å; F196-Y210 HydrophobicContact CE2-CE1 3.74Å; F196-Y210 HydrophobicContact CG-CD1 4.13Å; F196-Y210 HydrophobicContact CG-CE1 4.27Å; F196-Y210 HydrophobicContact CZ-CD1 4.29Å; F196-Y210 AromaticContact CZ-CE1 3.57Å; F196-Y210 HydrophobicContact CZ-CE1 3.57Å; F196-Y242 HydrophobicContact CD1-CE2 4.22Å; F196-Y242 WeakPolarHBondContact CD1-OH 3.41Å; F196-Y242 HydrophobicContact CE1-CE2 4.08Å; F196-Y242 VanDerWaalsContact CE1-OH 3.23Å; F196-Y242 WeakPolarHBondContact CE1-OH 3.27Å; F196-V246 HydrophobicContact CE1-CG2 3.74Å; F196-V246 HydrophobicContact CZ-CG2 4.01Å; F196-W249 HydrophobicContact CE2-CD2 4.41Å; F196-W249 HydrophobicContact CE2-CE3 4.01Å; F196-W249 AromaticContact CE2-CH2 3.8Å; F196-W249 HydrophobicContact CE2-CH2 3.8Å; F196-W249 HydrophobicContact CE2-CZ2 4.21Å; F196-W249 AromaticContact CE2-CZ3 3.7Å; F196-W249 HydrophobicContact CE2-CZ3 3.7Å; F196-W249 AromaticContact CZ-CE3 3.77Å; F196-W249 HydrophobicContact CZ-CE3 3.77Å; F196-W249 HydrophobicContact CZ-CH2 4.12Å; F196-W249 AromaticContact CZ-CZ3 3.55Å; F196-W249 HydrophobicContact CZ-CZ3 3.55Å
197T91.4Very high91.8Very high45 Ų4557.6 Ų57.628%0.27628%0.284SS..Hα-helixtrans-59.6-38172.6-60.70000112S193 W194 N201 W202 Y204 S207S193-T197 PolarHBondContact O-N 3.1Å; S193-T197 PolarHBondContact O-OG1 3.48Å; W194-T197 PolarHBondContact O-N 2.99Å; T197-N201 WeakPolarHBondContact O-CA 3.39Å; T197-N201 PolarHBondContact O-N 3.26Å; T197-W202 WeakPolarHBondContact CA-O 3.31Å; T197-W202 WeakPolarHBondContact CG2-O 3.41Å; T197-Y204 WeakPolarHBondContact OG1-CA 3.49Å; T197-S207 WeakPolarHBondContact CA-OG 3.27Å; T197-S207 PolarHBondContact N-OG 3.48Å; T197-S207 WeakPolarHBondContact OG1-CB 3.36Å; T197-S207 PolarHBondContact OG1-OG 3.44Å
198Y89.2Confident92Very high155 Ų15556.1 Ų56.161%0.60828%0.277SS*.Hα-helixtrans-76-42.1-179.1-177.8-94.4000114W194 V195 F196 F235W194-Y198 PolarHBondContact O-N 2.89Å; W194-Y198 VanDerWaalsContact O-N 3.1Å; V195-Y198 PolarHBondContact O-N 3.27Å; F196-Y198 VanDerWaalsContact C-N 3.27Å; F196-Y198 PolarHBondContact O-N 3.42Å; Y198-F235 AromaticContact CE1-CE1 3.92Å; Y198-F235 HydrophobicContact CE1-CE1 3.92Å
199F88.1Confident92.2Very high28 Ų2859.3 Ų59.312%0.12329%0.289CS..Hα-helixtrans-88.7-33-175-78.1-73.9000114.6V195 Q231 F235 Y242V195-F199 HydrophobicContact CG1-CD2 3.68Å; V195-F199 HydrophobicContact CG1-CE2 3.88Å; V195-F199 WeakPolarHBondContact O-CD2 3.36Å; V195-F199 PolarHBondContact O-N 3.3Å; F199-Q231 PolarHBondContact O-NE2 3Å; F199-F235 AromaticContact CD1-CD1 4Å; F199-F235 HydrophobicContact CD1-CD1 4Å; F199-F235 HydrophobicContact CD1-CD2 4.29Å; F199-F235 AromaticContact CD1-CE1 3.96Å; F199-F235 HydrophobicContact CD1-CE1 3.96Å; F199-F235 HydrophobicContact CD1-CE2 4.27Å; F199-F235 HydrophobicContact CD1-CG 4.16Å; F199-F235 HydrophobicContact CD1-CZ 4.1Å; F199-F235 AromaticContact CE1-CD1 3.8Å; F199-F235 HydrophobicContact CE1-CD1 3.8Å; F199-F235 HydrophobicContact CE1-CE1 4.1Å; F199-F235 HydrophobicContact CE1-CG 4.12Å; F199-Y242 HydrophobicContact CB-CD1 4.42Å; F199-Y242 HydrophobicContact CB-CD2 4Å; F199-Y242 HydrophobicContact CB-CE1 4.22Å; F199-Y242 HydrophobicContact CB-CE2 3.77Å; F199-Y242 HydrophobicContact CB-CG 4.32Å; F199-Y242 HydrophobicContact CD1-CD2 4.34Å; F199-Y242 HydrophobicContact CD1-CG 4.17Å; F199-Y242 AromaticContact CD2-CD2 3.36Å; F199-Y242 HydrophobicContact CD2-CD2 3.36Å; F199-Y242 AromaticContact CD2-CE2 3.78Å; F199-Y242 HydrophobicContact CD2-CE2 3.78Å; F199-Y242 AromaticContact CD2-CG 3.99Å; F199-Y242 HydrophobicContact CD2-CG 3.99Å; F199-Y242 HydrophobicContact CE1-CG 4.49Å; F199-Y242 AromaticContact CE2-CD2 3.85Å; F199-Y242 HydrophobicContact CE2-CD2 3.85Å; F199-Y242 HydrophobicContact CE2-CG 4.33Å; F199-Y242 HydrophobicContact CG-CD1 4.4Å; F199-Y242 AromaticContact CG-CD2 3.64Å; F199-Y242 HydrophobicContact CG-CD2 3.64Å; F199-Y242 AromaticContact CG-CE2 3.94Å; F199-Y242 HydrophobicContact CG-CE2 3.94Å; F199-Y242 AromaticContact CG-CG 3.9Å; F199-Y242 HydrophobicContact CG-CG 3.9Å
200E86.9Confident92.3Very high10 Ų1058 Ų585%0.04728%0.282CS..SBendtrans-101.2-1.7-177-58.9-68.717000112.9F196 W202 P225 T226 Q231 Y242F196-E200 WeakPolarHBondContact O-CB 3.24Å; F196-E200 PolarHBondContact O-N 3.49Å; E200-W202 HydrophobicContact CB-CD2 3.72Å; E200-W202 HydrophobicContact CB-CE3 4.29Å; E200-W202 HydrophobicContact CB-CG 3.91Å; E200-W202 HydrophobicContact CB-CZ2 4.02Å; E200-W202 HydrophobicContact CG-CD2 4.44Å; E200-W202 HydrophobicContact CG-CH2 4.3Å; E200-W202 HydrophobicContact CG-CZ2 4.08Å; E200-W202 PolarHBondContact O-N 3.45Å; E200-W202 PolarHBondContact O-NE1 3.27Å; E200-P225 HydrophobicContact CG-CB 4.48Å; E200-P225 VanDerWaalsContact OE1-C 3.3Å; E200-P225 WeakPolarHBondContact OE1-CA 3.28Å; E200-P225 WeakPolarHBondContact OE1-CB 3.42Å; E200-T226 PolarHBondContact OE1-N 3.26Å; E200-T226 PolarHBondContact OE2-N 2.96Å; E200-T226 PolarHBondContact OE2-OG1 3.2Å; E200-Q231 PolarHBondContact OE2-NE2 3.49Å; E200-Q231 VanDerWaalsContact OE2-NE2 3.09Å; E200-Y242 PolarHBondContact OE1-OH 3.39Å; E200-Y242 VanDerWaalsContact OE1-OH 3.07Å
201N86.4Confident92.4Very high127 Ų12754.5 Ų54.568%0.67926%0.263SS*.  trans55.617.1-174.6-62.4-68.1000114.9T197T197-N201 WeakPolarHBondContact O-CA 3.39Å; T197-N201 PolarHBondContact O-N 3.26Å
202W89.8Confident92.4Very high33 Ų3355.8 Ų55.813%0.12526%0.263CS..  trans-74.8144.8176.1-58.3-13.2000111.3T197 E200 I206 S207 Y210 Y223T197-W202 WeakPolarHBondContact CA-O 3.31Å; T197-W202 WeakPolarHBondContact CG2-O 3.41Å; E200-W202 HydrophobicContact CB-CD2 3.72Å; E200-W202 HydrophobicContact CB-CE3 4.29Å; E200-W202 HydrophobicContact CB-CG 3.91Å; E200-W202 HydrophobicContact CB-CZ2 4.02Å; E200-W202 HydrophobicContact CG-CD2 4.44Å; E200-W202 HydrophobicContact CG-CH2 4.3Å; E200-W202 HydrophobicContact CG-CZ2 4.08Å; E200-W202 PolarHBondContact O-N 3.45Å; E200-W202 PolarHBondContact O-NE1 3.27Å; W202-I206 HydrophobicContact CB-CB 4.35Å; W202-I206 HydrophobicContact CB-CG2 3.98Å; W202-I206 HydrophobicContact CD2-CG2 4.06Å; W202-I206 HydrophobicContact CE3-CG2 3.93Å; W202-I206 HydrophobicContact CG-CG2 4.1Å; W202-S207 PolarHBondContact O-OG 2.98Å; W202-Y210 HydrophobicContact CH2-CG 4.5Å; W202-Y210 HydrophobicContact CZ3-CD1 4.06Å; W202-Y210 HydrophobicContact CZ3-CD2 4.25Å; W202-Y210 AromaticContact CZ3-CG 3.79Å; W202-Y210 HydrophobicContact CZ3-CG 3.79Å; W202-Y223 HydrophobicContact CD2-CD1 4.3Å; W202-Y223 HydrophobicContact CE3-CD1 4.48Å; W202-Y223 HydrophobicContact CZ2-CD1 4.35Å
203P93.8Very high92.5Very high74 Ų7456 Ų5648%0.48126%0.264SS..  trans-63.4146.6172.728.9-35.2000110.7S205 I206 S207P203-S205 PolarHBondContact O-N 3.48Å; P203-I206 HydrophobicContact CG-CB 4.18Å; P203-I206 HydrophobicContact CG-CD1 3.73Å; P203-I206 HydrophobicContact CG-CG1 4.08Å; P203-I206 WeakPolarHBondContact O-CA 3.19Å; P203-I206 WeakPolarHBondContact O-CB 3.37Å; P203-I206 PolarHBondContact O-N 2.91Å; P203-S207 PolarHBondContact O-N 2.93Å; P203-S207 VanDerWaalsContact O-N 3.08Å; P203-S207 PolarHBondContact O-OG 2.7Å
204Y94.9Very high92.4Very high81 Ų8156 Ų5632%0.31826%0.264SS..Hα-helixtrans-54.5-30.6-171.6-175.9-109.2000114.8L190 W194 T197 S207 L208L190-Y204 PolarHBondContact O-OH 3.44Å; W194-Y204 AromaticContact CD1-CD2 3.57Å; W194-Y204 AromaticContact CD1-CE2 3.19Å; W194-Y204 HydrophobicContact CG-CE2 4.2Å; W194-Y204 AromaticContact NE1-CE2 3.68Å; T197-Y204 WeakPolarHBondContact OG1-CA 3.49Å; Y204-S207 PolarHBondContact O-N 3.46Å; Y204-L208 HydrophobicContact CE1-CD1 3.97Å; Y204-L208 VanDerWaalsContact O-CB 3.25Å; Y204-L208 WeakPolarHBondContact O-CB 3.23Å; Y204-L208 PolarHBondContact O-N 3.34Å
205S94.6Very high92.3Very high85 Ų8547.5 Ų47.559%0.59423%0.233SC*.Hα-helixtrans-59.8-44.9172.846.50000112.7P203 L208 Y209P203-S205 PolarHBondContact O-N 3.48Å; S205-L208 PolarHBondContact O-N 3.2Å; S205-Y209 WeakPolarHBondContact O-CB 3.34Å; S205-Y209 PolarHBondContact O-N 3.09Å
206I94.2Very high92.3Very high40 Ų4047.7 Ų47.721%0.20523%0.234CC..Hα-helixtrans-71-41.3176.1-71.9174.7000110.5W202 P203 L208 Y209 Y210 Y223W202-I206 HydrophobicContact CB-CB 4.35Å; W202-I206 HydrophobicContact CB-CG2 3.98Å; W202-I206 HydrophobicContact CD2-CG2 4.06Å; W202-I206 HydrophobicContact CE3-CG2 3.93Å; W202-I206 HydrophobicContact CG-CG2 4.1Å; P203-I206 HydrophobicContact CG-CB 4.18Å; P203-I206 HydrophobicContact CG-CD1 3.73Å; P203-I206 HydrophobicContact CG-CG1 4.08Å; P203-I206 WeakPolarHBondContact O-CA 3.19Å; P203-I206 WeakPolarHBondContact O-CB 3.37Å; P203-I206 PolarHBondContact O-N 2.91Å; I206-L208 VanDerWaalsContact C-N 3.26Å; I206-L208 PolarHBondContact O-N 3.48Å; I206-Y209 PolarHBondContact O-N 3.16Å; I206-Y210 WeakPolarHBondContact O-CB 3.42Å; I206-Y210 PolarHBondContact O-N 3.47Å; I206-Y223 HydrophobicContact CD1-CE1 4.06Å; I206-Y223 WeakPolarHBondContact CD1-OH 3.4Å; I206-Y223 HydrophobicContact CG2-CD1 3.47Å; I206-Y223 VanDerWaalsContact CG2-CD1 3.47Å; I206-Y223 HydrophobicContact CG2-CD2 4.1Å; I206-Y223 HydrophobicContact CG2-CE1 3.47Å; I206-Y223 VanDerWaalsContact CG2-CE1 3.47Å; I206-Y223 HydrophobicContact CG2-CE2 4.09Å; I206-Y223 HydrophobicContact CG2-CG 3.81Å
207S94.8Very high92.4Very high0 Ų049.7 Ų49.70%025%0.247CC..Hα-helixtrans-59.2-36.6174.6-51.90000112.8S193 T197 W202 P203 Y204 S211S193-S207 VanDerWaalsContact O-CB 3.22Å; S193-S207 WeakPolarHBondContact O-CB 3.42Å; S193-S207 PolarHBondContact OG-O 3.42Å; T197-S207 WeakPolarHBondContact CA-OG 3.27Å; T197-S207 PolarHBondContact N-OG 3.48Å; T197-S207 WeakPolarHBondContact OG1-CB 3.36Å; T197-S207 PolarHBondContact OG1-OG 3.44Å; W202-S207 PolarHBondContact O-OG 2.98Å; P203-S207 PolarHBondContact O-N 2.93Å; P203-S207 VanDerWaalsContact O-N 3.08Å; P203-S207 PolarHBondContact O-OG 2.7Å; Y204-S207 PolarHBondContact O-N 3.46Å; S207-S211 WeakPolarHBondContact O-CB 3.46Å; S207-S211 PolarHBondContact O-N 3.35Å; S207-S211 PolarHBondContact O-OG 2.89Å
208L95.4Very high92.5Very high63 Ų6351.3 Ų51.333%0.3325%0.253SS..Hα-helixtrans-76.9-40.8176.5-173152000112.8L190 S193 Y204 S205 I206 S211 Y212L190-L208 HydrophobicContact CD2-CD1 3.76Å; S193-L208 WeakPolarHBondContact OG-CA 3.2Å; Y204-L208 HydrophobicContact CE1-CD1 3.97Å; Y204-L208 VanDerWaalsContact O-CB 3.25Å; Y204-L208 WeakPolarHBondContact O-CB 3.23Å; Y204-L208 PolarHBondContact O-N 3.34Å; S205-L208 PolarHBondContact O-N 3.2Å; I206-L208 VanDerWaalsContact C-N 3.26Å; I206-L208 PolarHBondContact O-N 3.48Å; L208-S211 PolarHBondContact O-N 3.48Å; L208-Y212 WeakPolarHBondContact O-CB 3.44Å; L208-Y212 PolarHBondContact O-N 3.27Å
209Y95.1Very high92.6Very high85 Ų8544.2 Ų44.233%0.33323%0.227SC..Hα-helixtrans-57.4-51.3171.2168.5-96.4000111.3S205 I206 S211 Y212 V213 F220 D222 Y223S205-Y209 WeakPolarHBondContact O-CB 3.34Å; S205-Y209 PolarHBondContact O-N 3.09Å; I206-Y209 PolarHBondContact O-N 3.16Å; Y209-S211 PolarHBondContact O-N 3.03Å; Y209-Y212 PolarHBondContact O-N 3.08Å; Y209-V213 HydrophobicContact CD1-CG2 4.42Å; Y209-V213 HydrophobicContact CD2-CG2 4.02Å; Y209-V213 HydrophobicContact CE1-CG2 4.13Å; Y209-V213 HydrophobicContact CE2-CG2 3.7Å; Y209-V213 HydrophobicContact CG-CG2 4.38Å; Y209-V213 WeakPolarHBondContact O-CB 3.15Å; Y209-V213 WeakPolarHBondContact O-CG2 3.16Å; Y209-V213 PolarHBondContact O-N 3.14Å; Y209-F220 VanDerWaalsContact OH-CD2 3.23Å; Y209-F220 WeakPolarHBondContact OH-CD2 3.47Å; Y209-D222 WeakPolarHBondContact CE1-OD2 3.38Å; Y209-D222 VanDerWaalsContact CZ-OD2 3.31Å; Y209-D222 PolarHBondContact OH-OD2 3.12Å; Y209-Y223 HydrophobicContact CD1-CD2 4.04Å; Y209-Y223 HydrophobicContact CD1-CE2 4.47Å; Y209-Y223 AromaticContact CE1-CD2 3.88Å; Y209-Y223 HydrophobicContact CE1-CD2 3.88Å; Y209-Y223 HydrophobicContact CE1-CE2 4.31Å
210Y94.4Very high92.7Very high4 Ų449 Ų492%0.01625%0.248CC..Hα-helixtrans-56.2-52.1174169.6-100.9000111.1Y108 F196 W202 I206 Y212 V213 T214 Y223 P225 W249Y108-Y210 HydrophobicContact CE1-CE2 4.28Å; Y108-Y210 PolarHBondContact OH-OH 3.25Å; F196-Y210 HydrophobicContact CD1-CD1 4.25Å; F196-Y210 HydrophobicContact CD1-CE1 4.02Å; F196-Y210 AromaticContact CD2-CD1 3.97Å; F196-Y210 HydrophobicContact CD2-CD1 3.97Å; F196-Y210 HydrophobicContact CD2-CE1 4.09Å; F196-Y210 HydrophobicContact CE1-CD1 4.35Å; F196-Y210 AromaticContact CE1-CE1 3.68Å; F196-Y210 HydrophobicContact CE1-CE1 3.68Å; F196-Y210 HydrophobicContact CE2-CD1 4.06Å; F196-Y210 AromaticContact CE2-CE1 3.74Å; F196-Y210 HydrophobicContact CE2-CE1 3.74Å; F196-Y210 HydrophobicContact CG-CD1 4.13Å; F196-Y210 HydrophobicContact CG-CE1 4.27Å; F196-Y210 HydrophobicContact CZ-CD1 4.29Å; F196-Y210 AromaticContact CZ-CE1 3.57Å; F196-Y210 HydrophobicContact CZ-CE1 3.57Å; W202-Y210 HydrophobicContact CH2-CG 4.5Å; W202-Y210 HydrophobicContact CZ3-CD1 4.06Å; W202-Y210 HydrophobicContact CZ3-CD2 4.25Å; W202-Y210 AromaticContact CZ3-CG 3.79Å; W202-Y210 HydrophobicContact CZ3-CG 3.79Å; I206-Y210 WeakPolarHBondContact O-CB 3.42Å; I206-Y210 PolarHBondContact O-N 3.47Å; Y210-Y212 PolarHBondContact O-N 3.24Å; Y210-Y212 VanDerWaalsContact O-N 3.15Å; Y210-V213 PolarHBondContact O-N 2.97Å; Y210-T214 WeakPolarHBondContact CD2-OG1 3.22Å; Y210-T214 WeakPolarHBondContact CE2-OG1 3.43Å; Y210-T214 WeakPolarHBondContact O-CB 3.43Å; Y210-T214 PolarHBondContact O-N 3.35Å; Y210-T214 PolarHBondContact O-OG1 3.14Å; Y210-T214 VanDerWaalsContact O-OG1 3.07Å; Y210-Y223 VanDerWaalsContact CD2-O 3.23Å; Y210-Y223 WeakPolarHBondContact CD2-O 3.4Å; Y210-Y223 WeakPolarHBondContact CE2-O 3.32Å; Y210-P225 VanDerWaalsContact CZ-CD 3.4Å; Y210-P225 WeakPolarHBondContact OH-CD 3.35Å; Y210-W249 HydrophobicContact CE1-CH2 4.15Å; Y210-W249 HydrophobicContact CE1-CZ3 4.14Å
211S93.9Very high92.9Very high0 Ų049.5 Ų49.50%026%0.255CS..Hα-helixtrans-55-37.8179.4-62.60000112.6S193 S207 L208 Y209 T215S193-S211 PolarHBondContact OG-OG 3.39Å; S207-S211 WeakPolarHBondContact O-CB 3.46Å; S207-S211 PolarHBondContact O-N 3.35Å; S207-S211 PolarHBondContact O-OG 2.89Å; L208-S211 PolarHBondContact O-N 3.48Å; Y209-S211 PolarHBondContact O-N 3.03Å; S211-T215 WeakPolarHBondContact O-CB 3.46Å; S211-T215 PolarHBondContact O-N 3.08Å; S211-T215 PolarHBondContact O-OG1 3.37Å
212Y93.9Very high93Very high117 Ų11747 Ų4746%0.45924%0.242SC..Hα-helixtrans-72.6-54.9176.2177.7-97.5000113L189 L208 Y209 Y210 T214 T215 T216 I218L189-Y212 HydrophobicContact CD1-CD2 4.33Å; L208-Y212 WeakPolarHBondContact O-CB 3.44Å; L208-Y212 PolarHBondContact O-N 3.27Å; Y209-Y212 PolarHBondContact O-N 3.08Å; Y210-Y212 PolarHBondContact O-N 3.24Å; Y210-Y212 VanDerWaalsContact O-N 3.15Å; Y212-T214 PolarHBondContact O-N 3.37Å; Y212-T215 PolarHBondContact O-N 2.74Å; Y212-T216 HydrophobicContact CD2-CG2 4Å; Y212-T216 HydrophobicContact CE1-CG2 4.28Å; Y212-T216 HydrophobicContact CE2-CG2 3.67Å; Y212-T216 HydrophobicContact CG-CG2 4.44Å; Y212-T216 WeakPolarHBondContact O-CB 3.31Å; Y212-T216 WeakPolarHBondContact O-CG2 3.37Å; Y212-T216 PolarHBondContact O-N 3.06Å; Y212-T216 PolarHBondContact O-OG1 3.48Å; Y212-I218 HydrophobicContact CE1-CD1 4.35Å
213V93.6Very high93.1Very high5 Ų549.4 Ų49.43%0.0325%0.252CS..Hα-helixtrans-57.5-37.4-179.41670000111.4Y209 Y210 T216 T217 I218 G219 F220Y209-V213 HydrophobicContact CD1-CG2 4.42Å; Y209-V213 HydrophobicContact CD2-CG2 4.02Å; Y209-V213 HydrophobicContact CE1-CG2 4.13Å; Y209-V213 HydrophobicContact CE2-CG2 3.7Å; Y209-V213 HydrophobicContact CG-CG2 4.38Å; Y209-V213 WeakPolarHBondContact O-CB 3.15Å; Y209-V213 WeakPolarHBondContact O-CG2 3.16Å; Y209-V213 PolarHBondContact O-N 3.14Å; Y210-V213 PolarHBondContact O-N 2.97Å; V213-T216 PolarHBondContact O-OG1 3.49Å; V213-T217 PolarHBondContact O-N 3.19Å; V213-I218 HydrophobicContact CG1-CB 4.15Å; V213-I218 HydrophobicContact CG1-CG2 4.33Å; V213-I218 PolarHBondContact O-N 3.23Å; V213-G219 PolarHBondContact O-N 3.47Å; V213-F220 HydrophobicContact CG1-CB 4.3Å; V213-F220 HydrophobicContact CG1-CD2 3.69Å; V213-F220 HydrophobicContact CG1-CE2 4.46Å; V213-F220 HydrophobicContact CG1-CG 4.25Å; V213-F220 HydrophobicContact CG2-CD2 3.9Å; V213-F220 HydrophobicContact CG2-CE2 4.11Å
214T93Very high92.8Very high0 Ų046.6 Ų46.60%023%0.233CC..Hα-helixtrans-72-53.1175.7-67.80000111.8Y108 Y210 Y212 T216 T217 W249 F250Y108-T214 WeakPolarHBondContact OH-CG2 3.22Å; Y108-T214 PolarHBondContact OH-OG1 2.81Å; Y210-T214 WeakPolarHBondContact CD2-OG1 3.22Å; Y210-T214 WeakPolarHBondContact CE2-OG1 3.43Å; Y210-T214 WeakPolarHBondContact O-CB 3.43Å; Y210-T214 PolarHBondContact O-N 3.35Å; Y210-T214 PolarHBondContact O-OG1 3.14Å; Y210-T214 VanDerWaalsContact O-OG1 3.07Å; Y212-T214 PolarHBondContact O-N 3.37Å; T214-T216 VanDerWaalsContact C-N 3.27Å; T214-T216 PolarHBondContact O-N 3.41Å; T214-T217 PolarHBondContact O-N 3.21Å; T214-W249 HydrophobicContact CG2-CH2 3.59Å; T214-W249 HydrophobicContact CG2-CZ3 3.79Å; T214-F250 HydrophobicContact CG2-CD2 3.42Å; T214-F250 VanDerWaalsContact CG2-CD2 3.42Å; T214-F250 HydrophobicContact CG2-CE2 3.59Å; T214-F250 WeakPolarHBondContact O-CE2 3.36Å
215T91.8Very high92.3Very high12 Ų1243 Ų437%0.07422%0.219CC..Hα-helixtrans-61.8-34.7-179.5-66.60000112.7L189 S211 Y212 T217 L257L189-T215 HydrophobicContact CD2-CG2 4.45Å; S211-T215 WeakPolarHBondContact O-CB 3.46Å; S211-T215 PolarHBondContact O-N 3.08Å; S211-T215 PolarHBondContact O-OG1 3.37Å; Y212-T215 PolarHBondContact O-N 2.74Å; T215-T217 PolarHBondContact O-N 2.98Å; T215-L257 WeakPolarHBondContact O-CD1 3.35Å
216T91.5Very high91Very high37 Ų3742.8 Ų42.823%0.22722%0.215CC..THydrogen-bonded Turntrans-82.12.5177.755.40000114.2Y212 V213 T214 I218Y212-T216 HydrophobicContact CD2-CG2 4Å; Y212-T216 HydrophobicContact CE1-CG2 4.28Å; Y212-T216 HydrophobicContact CE2-CG2 3.67Å; Y212-T216 HydrophobicContact CG-CG2 4.44Å; Y212-T216 WeakPolarHBondContact O-CB 3.31Å; Y212-T216 WeakPolarHBondContact O-CG2 3.37Å; Y212-T216 PolarHBondContact O-N 3.06Å; Y212-T216 PolarHBondContact O-OG1 3.48Å; V213-T216 PolarHBondContact O-OG1 3.49Å; T214-T216 VanDerWaalsContact C-N 3.27Å; T214-T216 PolarHBondContact O-N 3.41Å; T216-I218 PolarHBondContact O-N 3.47Å; T216-I218 VanDerWaalsContact OG1-CD1 3.31Å; T216-I218 WeakPolarHBondContact OG1-CD1 3.48Å; T216-I218 WeakPolarHBondContact OG1-CG1 3.38Å
217T93.2Very high89.8Confident43 Ų4342 Ų4226%0.26421%0.21SC..THydrogen-bonded Turntrans49.839.3-175.470.70000113.5V106 V213 T214 T215 F250 L254V106-T217 HydrophobicContact CG2-CG2 3.92Å; V213-T217 PolarHBondContact O-N 3.19Å; T214-T217 PolarHBondContact O-N 3.21Å; T215-T217 PolarHBondContact O-N 2.98Å; T217-F250 HydrophobicContact CG2-CZ 4.27Å; T217-L254 HydrophobicContact CG2-CD1 3.63Å; T217-L254 HydrophobicContact CG2-CD2 3.8Å; T217-L254 HydrophobicContact CG2-CG 4.37Å
218I93.3Very high88.3Confident78 Ų7843.6 Ų43.640%0.423%0.227SC..  trans-82.7-42.3170.6-64.8172.5000109.7Y212 V213 T216 F220Y212-I218 HydrophobicContact CE1-CD1 4.35Å; V213-I218 HydrophobicContact CG1-CB 4.15Å; V213-I218 HydrophobicContact CG1-CG2 4.33Å; V213-I218 PolarHBondContact O-N 3.23Å; T216-I218 PolarHBondContact O-N 3.47Å; T216-I218 VanDerWaalsContact OG1-CD1 3.31Å; T216-I218 WeakPolarHBondContact OG1-CD1 3.48Å; T216-I218 WeakPolarHBondContact OG1-CG1 3.38Å; I218-F220 HydrophobicContact CG2-CD1 4.03Å; I218-F220 HydrophobicContact CG2-CD2 3.91Å; I218-F220 HydrophobicContact CG2-CE1 3.68Å; I218-F220 HydrophobicContact CG2-CE2 3.56Å; I218-F220 HydrophobicContact CG2-CG 4.14Å; I218-F220 HydrophobicContact CG2-CZ 3.43Å; I218-F220 VanDerWaalsContact CG2-CZ 3.43Å; I218-F220 PolarHBondContact O-N 3.12Å
219G91.3Very high86.5Confident6 Ų643.2 Ų43.26%0.06223%0.233CC..  trans61.542.7163.400000116.5Y108 V213 G221Y108-G219 WeakPolarHBondContact CA-O 3.49Å; V213-G219 PolarHBondContact O-N 3.47Å; G219-G221 PolarHBondContact O-N 2.9Å
220F91.5Very high84.9Confident130 Ų13043.9 Ų43.957%0.5724%0.242SC*.  trans-56.1-33.6-178.3-67-55.9000114.6Y209 V213 I218 D222Y209-F220 VanDerWaalsContact OH-CD2 3.23Å; Y209-F220 WeakPolarHBondContact OH-CD2 3.47Å; V213-F220 HydrophobicContact CG1-CB 4.3Å; V213-F220 HydrophobicContact CG1-CD2 3.69Å; V213-F220 HydrophobicContact CG1-CE2 4.46Å; V213-F220 HydrophobicContact CG1-CG 4.25Å; V213-F220 HydrophobicContact CG2-CD2 3.9Å; V213-F220 HydrophobicContact CG2-CE2 4.11Å; I218-F220 HydrophobicContact CG2-CD1 4.03Å; I218-F220 HydrophobicContact CG2-CD2 3.91Å; I218-F220 HydrophobicContact CG2-CE1 3.68Å; I218-F220 HydrophobicContact CG2-CE2 3.56Å; I218-F220 HydrophobicContact CG2-CG 4.14Å; I218-F220 HydrophobicContact CG2-CZ 3.43Å; I218-F220 VanDerWaalsContact CG2-CZ 3.43Å; I218-F220 PolarHBondContact O-N 3.12Å; F220-D222 PolarHBondContact O-N 2.88Å
221G89.9Confident83.6Confident19 Ų1944.7 Ų44.720%0.19625%0.246CC..  trans75.89.6176.600000115.1Y108 G219Y108-G221 WeakPolarHBondContact O-CA 3.34Å; G219-G221 PolarHBondContact O-N 2.9Å
222D90.4Very high82.2Confident76 Ų7647.4 Ų47.441%0.40626%0.264SS..SBendtrans-61.6-43.9164.849.8-3.6000111.7Y209 F220Y209-D222 WeakPolarHBondContact CE1-OD2 3.38Å; Y209-D222 VanDerWaalsContact CZ-OD2 3.31Å; Y209-D222 PolarHBondContact OH-OD2 3.12Å; F220-D222 PolarHBondContact O-N 2.88Å
223Y90.7Very high80.8Confident83 Ų8350 Ų5033%0.32528%0.277SS..SBendtrans-117.1126.9167.9-61.3-84.4000109.7W202 I206 Y209 Y210W202-Y223 HydrophobicContact CD2-CD1 4.3Å; W202-Y223 HydrophobicContact CE3-CD1 4.48Å; W202-Y223 HydrophobicContact CZ2-CD1 4.35Å; I206-Y223 HydrophobicContact CD1-CE1 4.06Å; I206-Y223 WeakPolarHBondContact CD1-OH 3.4Å; I206-Y223 HydrophobicContact CG2-CD1 3.47Å; I206-Y223 VanDerWaalsContact CG2-CD1 3.47Å; I206-Y223 HydrophobicContact CG2-CD2 4.1Å; I206-Y223 HydrophobicContact CG2-CE1 3.47Å; I206-Y223 VanDerWaalsContact CG2-CE1 3.47Å; I206-Y223 HydrophobicContact CG2-CE2 4.09Å; I206-Y223 HydrophobicContact CG2-CG 3.81Å; Y209-Y223 HydrophobicContact CD1-CD2 4.04Å; Y209-Y223 HydrophobicContact CD1-CE2 4.47Å; Y209-Y223 AromaticContact CE1-CD2 3.88Å; Y209-Y223 HydrophobicContact CE1-CD2 3.88Å; Y209-Y223 HydrophobicContact CE1-CE2 4.31Å; Y210-Y223 VanDerWaalsContact CD2-O 3.23Å; Y210-Y223 WeakPolarHBondContact CD2-O 3.4Å; Y210-Y223 WeakPolarHBondContact CE2-O 3.32Å
224V87.9Confident79.6Confident15 Ų1555.7 Ų55.79%0.09130%0.303CS..  trans-141.2136.5172-177.20000105.7F97 Y108 N110 T226F97-V224 HydrophobicContact CE1-CG1 3.96Å; Y108-V224 HydrophobicContact CD1-CG2 3.95Å; Y108-V224 HydrophobicContact CD2-CG1 4.23Å; Y108-V224 HydrophobicContact CD2-CG2 4.1Å; Y108-V224 HydrophobicContact CE1-CG2 4.42Å; Y108-V224 HydrophobicContact CE2-CG1 4.32Å; Y108-V224 HydrophobicContact CG-CG2 3.76Å; N110-V224 HydrophobicContact CB-CG2 4.46Å; V224-T226 PolarHBondContact O-N 3Å
225P83.6Confident78.6Confident4 Ų457.5 Ų57.53%0.02631%0.311CS..  trans-50.3118.818017.1-32.1000110.3F97 E200 Y210 F227 Y242 V246F97-P225 HydrophobicContact CZ-CG 4.48Å; E200-P225 HydrophobicContact CG-CB 4.48Å; E200-P225 VanDerWaalsContact OE1-C 3.3Å; E200-P225 WeakPolarHBondContact OE1-CA 3.28Å; E200-P225 WeakPolarHBondContact OE1-CB 3.42Å; Y210-P225 VanDerWaalsContact CZ-CD 3.4Å; Y210-P225 WeakPolarHBondContact OH-CD 3.35Å; P225-F227 HydrophobicContact CB-CE1 4.29Å; P225-F227 HydrophobicContact CB-CE2 3.86Å; P225-F227 HydrophobicContact CB-CZ 3.68Å; P225-F227 HydrophobicContact CG-CE2 3.73Å; P225-F227 HydrophobicContact CG-CZ 3.71Å; P225-F227 WeakPolarHBondContact O-CD2 3.19Å; P225-F227 WeakPolarHBondContact O-CE2 3.49Å; P225-F227 PolarHBondContact O-N 3.41Å; P225-Y242 HydrophobicContact CB-CE1 4.48Å; P225-Y242 WeakPolarHBondContact CB-OH 3.25Å; P225-V246 HydrophobicContact CG-CG1 4.34Å
226T68.1Low78.1Confident81 Ų8158.7 Ų58.750%0.49733%0.326SS..  trans-92.477.9-165.922.90000108.5E200 V224 G228 Q231E200-T226 PolarHBondContact OE1-N 3.26Å; E200-T226 PolarHBondContact OE2-N 2.96Å; E200-T226 PolarHBondContact OE2-OG1 3.2Å; V224-T226 PolarHBondContact O-N 3Å; T226-G228 PolarHBondContact O-N 3.07Å; T226-Q231 PolarHBondContact O-NE2 3.36Å; T226-Q231 VanDerWaalsContact O-NE2 3.15Å; T226-Q231 PolarHBondContact O-OE1 2.85Å
227F69.1Low77.7Confident23 Ų2359.7 Ų59.710%0.10134%0.344CS..  trans-61.154.3176.5-53.6-75.4000113.4Y93 H94 P225 Q231 F239 Y242 Q243Y93-F227 HydrophobicContact CD1-CD2 4.39Å; Y93-F227 HydrophobicContact CD1-CE2 4.47Å; Y93-F227 HydrophobicContact CE1-CD1 4.22Å; Y93-F227 AromaticContact CE1-CD2 3.85Å; Y93-F227 HydrophobicContact CE1-CD2 3.85Å; Y93-F227 AromaticContact CE1-CE1 3.92Å; Y93-F227 HydrophobicContact CE1-CE1 3.92Å; Y93-F227 AromaticContact CE1-CE2 3.52Å; Y93-F227 HydrophobicContact CE1-CE2 3.52Å; Y93-F227 HydrophobicContact CE1-CG 4.2Å; Y93-F227 AromaticContact CE1-CZ 3.57Å; Y93-F227 HydrophobicContact CE1-CZ 3.57Å; Y93-F227 AromaticContact CZ-CZ 3.88Å; Y93-F227 WeakPolarHBondContact OH-CZ 3.38Å; H94-F227 AromaticContact CE1-CD2 3.87Å; P225-F227 HydrophobicContact CB-CE1 4.29Å; P225-F227 HydrophobicContact CB-CE2 3.86Å; P225-F227 HydrophobicContact CB-CZ 3.68Å; P225-F227 HydrophobicContact CG-CE2 3.73Å; P225-F227 HydrophobicContact CG-CZ 3.71Å; P225-F227 WeakPolarHBondContact O-CD2 3.19Å; P225-F227 WeakPolarHBondContact O-CE2 3.49Å; P225-F227 PolarHBondContact O-N 3.41Å; F227-Q231 VanDerWaalsContact CA-OE1 3.3Å; F227-F239 HydrophobicContact CB-CE2 4.44Å; F227-F239 HydrophobicContact CB-CZ 3.83Å; F227-F239 AromaticContact CD1-CE2 3.83Å; F227-F239 HydrophobicContact CD1-CE2 3.83Å; F227-F239 AromaticContact CD1-CZ 3.82Å; F227-F239 HydrophobicContact CD1-CZ 3.82Å; F227-F239 HydrophobicContact CG-CZ 4.33Å; F227-Y242 HydrophobicContact CD1-CE1 4.42Å; F227-Y242 HydrophobicContact CE1-CD1 4.11Å; F227-Y242 AromaticContact CE1-CE1 3.79Å; F227-Y242 HydrophobicContact CE1-CE1 3.79Å; F227-Q243 HydrophobicContact CD1-CG 3.82Å; F227-Q243 HydrophobicContact CE1-CG 3.64Å
228G62.5Low77.2Confident34 Ų3466.3 Ų66.335%0.35136%0.364SS..  trans-74.3158.8-17000000112.5T226 N230 Q231 P232T226-G228 PolarHBondContact O-N 3.07Å; G228-N230 PolarHBondContact O-N 2.78Å; G228-Q231 PolarHBondContact O-N 2.95Å; G228-Q231 VanDerWaalsContact O-N 3.16Å; G228-P232 WeakPolarHBondContact O-CD 3.47Å
229A58.6Low76.7Confident56 Ų5663.5 Ų63.546%0.46335%0.349SS..THydrogen-bonded Turntrans-58.2-19.2-172.300000115.2P87P87-A229 HydrophobicContact CB-CB 4.31Å; P87-A229 HydrophobicContact CG-CB 4.48Å
230N61.7Low76.4Confident98 Ų9866.9 Ų66.952%0.52437%0.368SS..THydrogen-bonded Turntrans-89.5-34.2-179.5-64.1-11.8000113.3G228 P232 K233 E234G228-N230 PolarHBondContact O-N 2.78Å; N230-P232 VanDerWaalsContact C-CD 3.48Å; N230-K233 WeakPolarHBondContact O-CA 3.33Å; N230-K233 WeakPolarHBondContact O-CB 3.44Å; N230-K233 PolarHBondContact O-N 2.86Å; N230-E234 PolarHBondContact O-N 3.28Å; N230-E234 VanDerWaalsContact O-N 3.11Å
231Q66.6Low76.3Confident21 Ų2164.7 Ų64.710%0.09837%0.365CS..Hα-helixtrans-53.6-40178.6-74.3177.7-17.200115.2F199 E200 T226 F227 G228 K233 E234 F235 F239F199-Q231 PolarHBondContact O-NE2 3Å; E200-Q231 PolarHBondContact OE2-NE2 3.49Å; E200-Q231 VanDerWaalsContact OE2-NE2 3.09Å; T226-Q231 PolarHBondContact O-NE2 3.36Å; T226-Q231 VanDerWaalsContact O-NE2 3.15Å; T226-Q231 PolarHBondContact O-OE1 2.85Å; F227-Q231 VanDerWaalsContact CA-OE1 3.3Å; G228-Q231 PolarHBondContact O-N 2.95Å; G228-Q231 VanDerWaalsContact O-N 3.16Å; Q231-K233 PolarHBondContact O-N 3.27Å; Q231-E234 PolarHBondContact O-N 2.88Å; Q231-F235 HydrophobicContact CB-CD2 4.38Å; Q231-F235 PolarHBondContact O-N 2.84Å; Q231-F239 HydrophobicContact CB-CD2 4.06Å; Q231-F239 HydrophobicContact CB-CE2 3.71Å; Q231-F239 HydrophobicContact CB-CZ 4.2Å; Q231-F239 VanDerWaalsContact OE1-CE2 3.25Å
232P65.1Low76.3Confident57 Ų5764 Ų6437%0.3736%0.357SS..Hα-helixtrans-68-20.9175.126.1-34.5000113.5G228 N230 G236 F239G228-P232 WeakPolarHBondContact O-CD 3.47Å; N230-P232 VanDerWaalsContact C-CD 3.48Å; P232-G236 WeakPolarHBondContact O-CA 3.36Å; P232-G236 PolarHBondContact O-N 3.03Å; P232-F239 HydrophobicContact CB-CD1 3.85Å; P232-F239 HydrophobicContact CB-CE1 4.06Å; P232-F239 HydrophobicContact CG-CE1 4.34Å
233K63.3Low76.2Confident173 Ų17361.9 Ų61.975%0.75235%0.345SS*.Hα-helixtrans-78.7-37.1172.1-58.9176.6-178.61700111.3N230 Q231N230-K233 WeakPolarHBondContact O-CA 3.33Å; N230-K233 WeakPolarHBondContact O-CB 3.44Å; N230-K233 PolarHBondContact O-N 2.86Å; Q231-K233 PolarHBondContact O-N 3.27Å
234E69.6Low76.2Confident123 Ų12362.7 Ų62.758%0.57535%0.354SS*.Hα-helixtrans-75.7-46.1-178.6-69.2167.6-167.500113.1N230 Q231N230-E234 PolarHBondContact O-N 3.28Å; N230-E234 VanDerWaalsContact O-N 3.11Å; Q231-E234 PolarHBondContact O-N 2.88Å
235F71.9Confident76.4Confident38 Ų3865 Ų6517%0.16736%0.363CS..Hα-helixtrans-103.3-13.6-173.2-63.1-76.1000114.3Y198 F199 Q231 G237 W238 F239Y198-F235 AromaticContact CE1-CE1 3.92Å; Y198-F235 HydrophobicContact CE1-CE1 3.92Å; F199-F235 AromaticContact CD1-CD1 4Å; F199-F235 HydrophobicContact CD1-CD1 4Å; F199-F235 HydrophobicContact CD1-CD2 4.29Å; F199-F235 AromaticContact CD1-CE1 3.96Å; F199-F235 HydrophobicContact CD1-CE1 3.96Å; F199-F235 HydrophobicContact CD1-CE2 4.27Å; F199-F235 HydrophobicContact CD1-CG 4.16Å; F199-F235 HydrophobicContact CD1-CZ 4.1Å; F199-F235 AromaticContact CE1-CD1 3.8Å; F199-F235 HydrophobicContact CE1-CD1 3.8Å; F199-F235 HydrophobicContact CE1-CE1 4.1Å; F199-F235 HydrophobicContact CE1-CG 4.12Å; Q231-F235 HydrophobicContact CB-CD2 4.38Å; Q231-F235 PolarHBondContact O-N 2.84Å; F235-G237 PolarHBondContact O-N 3.06Å; F235-W238 HydrophobicContact CB-CB 4.39Å; F235-W238 WeakPolarHBondContact O-CB 3.44Å; F235-W238 PolarHBondContact O-N 3.33Å; F235-W238 VanDerWaalsContact O-N 3.12Å; F235-F239 HydrophobicContact CB-CB 4.27Å
236G80.2Confident76.8Confident37 Ų3764.9 Ų64.938%0.38136%0.362SS..THydrogen-bonded Turntrans52.3-128.5-179.300000112.7P232 W238 F239P232-G236 WeakPolarHBondContact O-CA 3.36Å; P232-G236 PolarHBondContact O-N 3.03Å; G236-W238 PolarHBondContact O-N 3.09Å; G236-F239 WeakPolarHBondContact O-CB 3.26Å; G236-F239 PolarHBondContact O-N 3.41Å; G236-F239 VanDerWaalsContact O-N 3.09Å
237G82.3Confident77.9Confident58 Ų5862.2 Ų62.260%0.59834%0.344SS*.Hα-helixtrans-59.9-25.5-179.800000115.2F235 F239 V240 V241F235-G237 PolarHBondContact O-N 3.06Å; G237-F239 PolarHBondContact O-N 3.31Å; G237-V240 PolarHBondContact O-N 2.92Å; G237-V241 PolarHBondContact O-N 3.2Å
238W83.8Confident79Confident182 Ų18264.4 Ų64.469%0.68936%0.359SS*.Hα-helixtrans-65.8-25.3176.9-66.4105.9000112.7F235 G236 V240 V241 Y242F235-W238 HydrophobicContact CB-CB 4.39Å; F235-W238 WeakPolarHBondContact O-CB 3.44Å; F235-W238 PolarHBondContact O-N 3.33Å; F235-W238 VanDerWaalsContact O-N 3.12Å; G236-W238 PolarHBondContact O-N 3.09Å; W238-V240 VanDerWaalsContact C-N 3.3Å; W238-V240 PolarHBondContact O-N 3.13Å; W238-V241 HydrophobicContact CE3-CB 4.48Å; W238-V241 HydrophobicContact CE3-CG2 4.41Å; W238-V241 WeakPolarHBondContact O-CB 3.4Å; W238-V241 PolarHBondContact O-N 2.95Å; W238-Y242 WeakPolarHBondContact O-CB 3.35Å; W238-Y242 PolarHBondContact O-N 2.89Å
239F83.2Confident80.5Confident19 Ų1963.4 Ų63.48%0.08335%0.345CS..Hα-helixtrans-61.9-37.2174.5-173.4-123.7000112.5F227 Q231 P232 F235 G236 G237 Y242 Q243F227-F239 HydrophobicContact CB-CE2 4.44Å; F227-F239 HydrophobicContact CB-CZ 3.83Å; F227-F239 AromaticContact CD1-CE2 3.83Å; F227-F239 HydrophobicContact CD1-CE2 3.83Å; F227-F239 AromaticContact CD1-CZ 3.82Å; F227-F239 HydrophobicContact CD1-CZ 3.82Å; F227-F239 HydrophobicContact CG-CZ 4.33Å; Q231-F239 HydrophobicContact CB-CD2 4.06Å; Q231-F239 HydrophobicContact CB-CE2 3.71Å; Q231-F239 HydrophobicContact CB-CZ 4.2Å; Q231-F239 VanDerWaalsContact OE1-CE2 3.25Å; P232-F239 HydrophobicContact CB-CD1 3.85Å; P232-F239 HydrophobicContact CB-CE1 4.06Å; P232-F239 HydrophobicContact CG-CE1 4.34Å; F235-F239 HydrophobicContact CB-CB 4.27Å; G236-F239 WeakPolarHBondContact O-CB 3.26Å; G236-F239 PolarHBondContact O-N 3.41Å; G236-F239 VanDerWaalsContact O-N 3.09Å; G237-F239 PolarHBondContact O-N 3.31Å; F239-Y242 HydrophobicContact CD2-CD1 4.45Å; F239-Y242 WeakPolarHBondContact O-CB 3.43Å; F239-Y242 PolarHBondContact O-N 3Å; F239-Q243 VanDerWaalsContact CE1-NE2 3.29Å; F239-Q243 WeakPolarHBondContact O-CB 3.26Å; F239-Q243 WeakPolarHBondContact O-CG 3.36Å; F239-Q243 PolarHBondContact O-N 3.31Å
240V85.1Confident82.1Confident78 Ų7861.2 Ų61.247%0.47333%0.325SS..Hα-helixtrans-70.5-38.2176-175.40000110.8G237 W238 Y242 Q243 I244G237-V240 PolarHBondContact O-N 2.92Å; W238-V240 VanDerWaalsContact C-N 3.3Å; W238-V240 PolarHBondContact O-N 3.13Å; V240-Y242 VanDerWaalsContact C-N 3.33Å; V240-Q243 PolarHBondContact O-N 3.03Å; V240-I244 HydrophobicContact CG1-CD1 4.13Å; V240-I244 WeakPolarHBondContact O-CG1 3.45Å; V240-I244 PolarHBondContact O-N 3.39Å
241V88.8Confident83.5Confident83 Ų8358.3 Ų58.350%0.50331%0.309SS..Hα-helixtrans-63-41.7173.6-177.70000110.6G237 W238 I244 F245G237-V241 PolarHBondContact O-N 3.2Å; W238-V241 HydrophobicContact CE3-CB 4.48Å; W238-V241 HydrophobicContact CE3-CG2 4.41Å; W238-V241 WeakPolarHBondContact O-CB 3.4Å; W238-V241 PolarHBondContact O-N 2.95Å; V241-I244 PolarHBondContact O-N 3.24Å; V241-F245 VanDerWaalsContact O-CB 3.29Å; V241-F245 WeakPolarHBondContact O-CB 3.49Å; V241-F245 PolarHBondContact O-N 2.88Å
242Y90.1Very high84.8Confident4 Ų461.7 Ų61.72%0.01632%0.323CS..Hα-helixtrans-62.8-48.5174.3173.6-110.8000112.4V195 F196 F199 E200 P225 F227 W238 F239 V240 I244 F245 V246V195-Y242 HydrophobicContact CG1-CD2 4.17Å; V195-Y242 HydrophobicContact CG1-CE2 4.21Å; F196-Y242 HydrophobicContact CD1-CE2 4.22Å; F196-Y242 WeakPolarHBondContact CD1-OH 3.41Å; F196-Y242 HydrophobicContact CE1-CE2 4.08Å; F196-Y242 VanDerWaalsContact CE1-OH 3.23Å; F196-Y242 WeakPolarHBondContact CE1-OH 3.27Å; F199-Y242 HydrophobicContact CB-CD1 4.42Å; F199-Y242 HydrophobicContact CB-CD2 4Å; F199-Y242 HydrophobicContact CB-CE1 4.22Å; F199-Y242 HydrophobicContact CB-CE2 3.77Å; F199-Y242 HydrophobicContact CB-CG 4.32Å; F199-Y242 HydrophobicContact CD1-CD2 4.34Å; F199-Y242 HydrophobicContact CD1-CG 4.17Å; F199-Y242 AromaticContact CD2-CD2 3.36Å; F199-Y242 HydrophobicContact CD2-CD2 3.36Å; F199-Y242 AromaticContact CD2-CE2 3.78Å; F199-Y242 HydrophobicContact CD2-CE2 3.78Å; F199-Y242 AromaticContact CD2-CG 3.99Å; F199-Y242 HydrophobicContact CD2-CG 3.99Å; F199-Y242 HydrophobicContact CE1-CG 4.49Å; F199-Y242 AromaticContact CE2-CD2 3.85Å; F199-Y242 HydrophobicContact CE2-CD2 3.85Å; F199-Y242 HydrophobicContact CE2-CG 4.33Å; F199-Y242 HydrophobicContact CG-CD1 4.4Å; F199-Y242 AromaticContact CG-CD2 3.64Å; F199-Y242 HydrophobicContact CG-CD2 3.64Å; F199-Y242 AromaticContact CG-CE2 3.94Å; F199-Y242 HydrophobicContact CG-CE2 3.94Å; F199-Y242 AromaticContact CG-CG 3.9Å; F199-Y242 HydrophobicContact CG-CG 3.9Å; E200-Y242 PolarHBondContact OE1-OH 3.39Å; E200-Y242 VanDerWaalsContact OE1-OH 3.07Å; P225-Y242 HydrophobicContact CB-CE1 4.48Å; P225-Y242 WeakPolarHBondContact CB-OH 3.25Å; F227-Y242 HydrophobicContact CD1-CE1 4.42Å; F227-Y242 HydrophobicContact CE1-CD1 4.11Å; F227-Y242 AromaticContact CE1-CE1 3.79Å; F227-Y242 HydrophobicContact CE1-CE1 3.79Å; W238-Y242 WeakPolarHBondContact O-CB 3.35Å; W238-Y242 PolarHBondContact O-N 2.89Å; F239-Y242 HydrophobicContact CD2-CD1 4.45Å; F239-Y242 WeakPolarHBondContact O-CB 3.43Å; F239-Y242 PolarHBondContact O-N 3Å; V240-Y242 VanDerWaalsContact C-N 3.33Å; Y242-I244 VanDerWaalsContact C-N 3.32Å; Y242-I244 PolarHBondContact O-N 3.43Å; Y242-F245 WeakPolarHBondContact O-CB 3.29Å; Y242-F245 PolarHBondContact O-N 2.88Å; Y242-F245 VanDerWaalsContact O-N 3.1Å; Y242-V246 HydrophobicContact CD2-CG2 4.2Å; Y242-V246 HydrophobicContact CE1-CG2 4.22Å; Y242-V246 HydrophobicContact CE2-CG2 3.73Å; Y242-V246 WeakPolarHBondContact O-CG2 3.49Å; Y242-V246 PolarHBondContact O-N 3.06Å
243Q87.6Confident86.1Confident33 Ų3359 Ų5915%0.15431%0.306CS..Hα-helixtrans-54-45.3174.5-83.1-176.8-4.700112.7Y93 F227 F239 V240 I247Y93-Q243 HydrophobicContact CD2-CB 4.2Å; Y93-Q243 HydrophobicContact CD2-CG 4.17Å; Y93-Q243 HydrophobicContact CE1-CG 4.12Å; Y93-Q243 HydrophobicContact CE2-CB 3.54Å; Y93-Q243 HydrophobicContact CE2-CG 3.74Å; Y93-Q243 PolarHBondContact OH-O 3.25Å; F227-Q243 HydrophobicContact CD1-CG 3.82Å; F227-Q243 HydrophobicContact CE1-CG 3.64Å; F239-Q243 VanDerWaalsContact CE1-NE2 3.29Å; F239-Q243 WeakPolarHBondContact O-CB 3.26Å; F239-Q243 WeakPolarHBondContact O-CG 3.36Å; F239-Q243 PolarHBondContact O-N 3.31Å; V240-Q243 PolarHBondContact O-N 3.03Å; Q243-I247 PolarHBondContact O-N 3.33Å
244I90.4Very high87.4Confident100 Ų10051.2 Ų51.251%0.51327%0.273SS..Hα-helixtrans-67.4-43.4175.8-66.1166.3000110.7V240 V241 Y242 V246 I247 V248V240-I244 HydrophobicContact CG1-CD1 4.13Å; V240-I244 WeakPolarHBondContact O-CG1 3.45Å; V240-I244 PolarHBondContact O-N 3.39Å; V241-I244 PolarHBondContact O-N 3.24Å; Y242-I244 VanDerWaalsContact C-N 3.32Å; Y242-I244 PolarHBondContact O-N 3.43Å; I244-V246 PolarHBondContact O-N 3.32Å; I244-I247 PolarHBondContact O-N 3.26Å; I244-V248 HydrophobicContact CG2-CG2 4.12Å; I244-V248 WeakPolarHBondContact O-CG2 3.3Å; I244-V248 PolarHBondContact O-N 3.37Å
245F92.6Very high88.5Confident64 Ų6445.4 Ų45.428%0.28125%0.245SC..Hα-helixtrans-56.6-45.8177.9168.9-94000111.8P192 V195 V241 Y242 I247 V248 W249P192-F245 HydrophobicContact CB-CZ 4.33Å; V195-F245 HydrophobicContact CB-CE1 3.97Å; V195-F245 HydrophobicContact CB-CZ 4.32Å; V195-F245 HydrophobicContact CG1-CD1 4Å; V195-F245 HydrophobicContact CG1-CE1 3.68Å; V195-F245 HydrophobicContact CG1-CZ 4.32Å; V195-F245 HydrophobicContact CG2-CE1 4.15Å; V195-F245 HydrophobicContact CG2-CZ 3.99Å; V241-F245 VanDerWaalsContact O-CB 3.29Å; V241-F245 WeakPolarHBondContact O-CB 3.49Å; V241-F245 PolarHBondContact O-N 2.88Å; Y242-F245 WeakPolarHBondContact O-CB 3.29Å; Y242-F245 PolarHBondContact O-N 2.88Å; Y242-F245 VanDerWaalsContact O-N 3.1Å; F245-I247 VanDerWaalsContact C-N 3.34Å; F245-I247 PolarHBondContact O-N 3.39Å; F245-V248 PolarHBondContact O-N 2.92Å; F245-W249 HydrophobicContact CE1-CB 4.31Å; F245-W249 HydrophobicContact CE2-CB 4.4Å; F245-W249 HydrophobicContact CZ-CB 4.17Å; F245-W249 WeakPolarHBondContact O-CB 3.32Å; F245-W249 PolarHBondContact O-N 3.19Å
246V92.2Very high89.4Confident1 Ų144.7 Ų44.71%0.00624%0.242CC..Hα-helixtrans-59.2-44.5179.8173.80000111.4F97 F196 P225 Y242 I244 F250F97-V246 HydrophobicContact CE2-CG1 4.17Å; F196-V246 HydrophobicContact CE1-CG2 3.74Å; F196-V246 HydrophobicContact CZ-CG2 4.01Å; P225-V246 HydrophobicContact CG-CG1 4.34Å; Y242-V246 HydrophobicContact CD2-CG2 4.2Å; Y242-V246 HydrophobicContact CE1-CG2 4.22Å; Y242-V246 HydrophobicContact CE2-CG2 3.73Å; Y242-V246 WeakPolarHBondContact O-CG2 3.49Å; Y242-V246 PolarHBondContact O-N 3.06Å; I244-V246 PolarHBondContact O-N 3.32Å; V246-F250 WeakPolarHBondContact O-CB 3.18Å; V246-F250 PolarHBondContact O-N 2.89Å
247I91.4Very high89.9Confident25 Ų2544.5 Ų44.513%0.12823%0.232CC..Hα-helixtrans-65.6-47178.2-64.9162.6000110.8Y93 F96 Q243 I244 F245 F250 I251Y93-I247 HydrophobicContact CE2-CD1 3.63Å; F96-I247 HydrophobicContact CD1-CD1 4.04Å; F96-I247 HydrophobicContact CE1-CD1 3.84Å; F96-I247 HydrophobicContact CE1-CG2 4.33Å; Q243-I247 PolarHBondContact O-N 3.33Å; I244-I247 PolarHBondContact O-N 3.26Å; F245-I247 VanDerWaalsContact C-N 3.34Å; F245-I247 PolarHBondContact O-N 3.39Å; I247-F250 PolarHBondContact O-N 2.97Å; I247-I251 HydrophobicContact CG2-CD1 3.9Å; I247-I251 VanDerWaalsContact O-CG1 3.31Å; I247-I251 WeakPolarHBondContact O-CG1 3.45Å; I247-I251 PolarHBondContact O-N 2.92Å
248V92.6Very high90.3Very high68 Ų6843.4 Ų43.441%0.41221%0.213SC..Hα-helixtrans-66.8-46.9-178.41730000111.5I244 F245 F250 I251 F252I244-V248 HydrophobicContact CG2-CG2 4.12Å; I244-V248 WeakPolarHBondContact O-CG2 3.3Å; I244-V248 PolarHBondContact O-N 3.37Å; F245-V248 PolarHBondContact O-N 2.92Å; V248-F250 VanDerWaalsContact C-N 3.29Å; V248-F250 PolarHBondContact O-N 3.34Å; V248-I251 PolarHBondContact O-N 3.46Å; V248-F252 HydrophobicContact CG1-CD2 4Å; V248-F252 HydrophobicContact CG1-CE2 3.94Å; V248-F252 VanDerWaalsContact O-CD2 3.27Å; V248-F252 WeakPolarHBondContact O-CD2 3.2Å; V248-F252 PolarHBondContact O-N 3.03Å
249W94Very high90.5Very high14 Ų1435 Ų355%0.05318%0.182CC..Hα-helixtrans-53.9-47.617415967.3000110.7F188 P192 F196 Y210 T214 F245 F252 S253F188-W249 PolarHBondContact O-NE1 2.87Å; P192-W249 HydrophobicContact CB-CD2 4.2Å; P192-W249 HydrophobicContact CB-CG 4.24Å; P192-W249 HydrophobicContact CB-CZ2 4.3Å; P192-W249 HydrophobicContact CG-CZ2 4.28Å; P192-W249 VanDerWaalsContact CG-NE1 3.35Å; F196-W249 HydrophobicContact CE2-CD2 4.41Å; F196-W249 HydrophobicContact CE2-CE3 4.01Å; F196-W249 AromaticContact CE2-CH2 3.8Å; F196-W249 HydrophobicContact CE2-CH2 3.8Å; F196-W249 HydrophobicContact CE2-CZ2 4.21Å; F196-W249 AromaticContact CE2-CZ3 3.7Å; F196-W249 HydrophobicContact CE2-CZ3 3.7Å; F196-W249 AromaticContact CZ-CE3 3.77Å; F196-W249 HydrophobicContact CZ-CE3 3.77Å; F196-W249 HydrophobicContact CZ-CH2 4.12Å; F196-W249 AromaticContact CZ-CZ3 3.55Å; F196-W249 HydrophobicContact CZ-CZ3 3.55Å; Y210-W249 HydrophobicContact CE1-CH2 4.15Å; Y210-W249 HydrophobicContact CE1-CZ3 4.14Å; T214-W249 HydrophobicContact CG2-CH2 3.59Å; T214-W249 HydrophobicContact CG2-CZ3 3.79Å; F245-W249 HydrophobicContact CE1-CB 4.31Å; F245-W249 HydrophobicContact CE2-CB 4.4Å; F245-W249 HydrophobicContact CZ-CB 4.17Å; F245-W249 WeakPolarHBondContact O-CB 3.32Å; F245-W249 PolarHBondContact O-N 3.19Å; W249-F252 PolarHBondContact O-N 3.32Å; W249-S253 PolarHBondContact NE1-OG 2.7Å; W249-S253 VanDerWaalsContact O-CB 3.27Å; W249-S253 WeakPolarHBondContact O-CB 3.23Å; W249-S253 PolarHBondContact O-N 2.84Å; W249-S253 PolarHBondContact O-OG 2.93Å
250F91.4Very high90.8Very high9 Ų936 Ų364%0.03919%0.187CC..Hα-helixtrans-60.6-48.8179.5-175.5-79.2000112F100 V106 T214 T217 V246 I247 V248 F252 S253 L254F100-F250 HydrophobicContact CE1-CB 4.32Å; F100-F250 AromaticContact CE1-CD1 3.33Å; F100-F250 HydrophobicContact CE1-CD1 3.33Å; F100-F250 AromaticContact CE1-CE1 3.88Å; F100-F250 HydrophobicContact CE1-CE1 3.88Å; F100-F250 AromaticContact CE1-CG 3.94Å; F100-F250 HydrophobicContact CE1-CG 3.94Å; F100-F250 AromaticContact CZ-CD1 3.48Å; F100-F250 HydrophobicContact CZ-CD1 3.48Å; F100-F250 VanDerWaalsContact CZ-CD1 3.48Å; F100-F250 AromaticContact CZ-CE1 3.96Å; F100-F250 HydrophobicContact CZ-CE1 3.96Å; F100-F250 HydrophobicContact CZ-CG 4.43Å; V106-F250 HydrophobicContact CG2-CE1 4.41Å; V106-F250 HydrophobicContact CG2-CE2 3.6Å; V106-F250 HydrophobicContact CG2-CZ 3.31Å; T214-F250 HydrophobicContact CG2-CD2 3.42Å; T214-F250 VanDerWaalsContact CG2-CD2 3.42Å; T214-F250 HydrophobicContact CG2-CE2 3.59Å; T214-F250 WeakPolarHBondContact O-CE2 3.36Å; T217-F250 HydrophobicContact CG2-CZ 4.27Å; V246-F250 WeakPolarHBondContact O-CB 3.18Å; V246-F250 PolarHBondContact O-N 2.89Å; I247-F250 PolarHBondContact O-N 2.97Å; V248-F250 VanDerWaalsContact C-N 3.29Å; V248-F250 PolarHBondContact O-N 3.34Å; F250-F252 VanDerWaalsContact C-N 3.32Å; F250-F252 PolarHBondContact O-N 3.37Å; F250-S253 PolarHBondContact O-N 3.42Å; F250-L254 HydrophobicContact CE1-CB 4.12Å; F250-L254 HydrophobicContact CE1-CD2 3.55Å; F250-L254 HydrophobicContact CZ-CB 4.5Å; F250-L254 HydrophobicContact CZ-CD2 3.78Å; F250-L254 PolarHBondContact O-N 3.09Å
251I92.2Very high90.9Very high38 Ų3837 Ų3720%0.19519%0.188CC..Hα-helixtrans-57.4-45.7-179.7-69.6167000110.9F100 L140 I247 V248 G255F100-I251 HydrophobicContact CE1-CG1 4.49Å; F100-I251 HydrophobicContact CE2-CD1 4.23Å; F100-I251 HydrophobicContact CE2-CG1 3.88Å; F100-I251 HydrophobicContact CZ-CD1 4.18Å; F100-I251 HydrophobicContact CZ-CG1 3.48Å; F100-I251 VanDerWaalsContact CZ-CG1 3.48Å; L140-I251 HydrophobicContact CD1-CG2 3.57Å; I247-I251 HydrophobicContact CG2-CD1 3.9Å; I247-I251 VanDerWaalsContact O-CG1 3.31Å; I247-I251 WeakPolarHBondContact O-CG1 3.45Å; I247-I251 PolarHBondContact O-N 2.92Å; V248-I251 PolarHBondContact O-N 3.46Å; I251-G255 PolarHBondContact O-N 3.2Å; I251-G255 VanDerWaalsContact O-N 3.15Å
252F92.4Very high90.7Very high91 Ų9134.7 Ų34.740%0.39917%0.174SC..Hα-helixtrans-69.5-40179.3-80.4-120.7000111.6F144 F188 V248 W249 F250 G255 Y256F144-F252 AromaticContact CE1-CD1 3.93Å; F144-F252 HydrophobicContact CE1-CD1 3.93Å; F144-F252 HydrophobicContact CE1-CE1 4.35Å; F144-F252 WeakPolarHBondContact CE2-O 3.19Å; F144-F252 HydrophobicContact CZ-CB 4.11Å; F144-F252 AromaticContact CZ-CD1 3.56Å; F144-F252 HydrophobicContact CZ-CD1 3.56Å; F144-F252 HydrophobicContact CZ-CE1 4.23Å; F144-F252 HydrophobicContact CZ-CG 4.01Å; F188-F252 HydrophobicContact CE1-CB 3.76Å; F188-F252 HydrophobicContact CZ-CB 4.28Å; V248-F252 HydrophobicContact CG1-CD2 4Å; V248-F252 HydrophobicContact CG1-CE2 3.94Å; V248-F252 VanDerWaalsContact O-CD2 3.27Å; V248-F252 WeakPolarHBondContact O-CD2 3.2Å; V248-F252 PolarHBondContact O-N 3.03Å; W249-F252 PolarHBondContact O-N 3.32Å; F250-F252 VanDerWaalsContact C-N 3.32Å; F250-F252 PolarHBondContact O-N 3.37Å; F252-G255 PolarHBondContact O-N 2.79Å; F252-Y256 WeakPolarHBondContact O-CB 3.41Å; F252-Y256 PolarHBondContact O-N 3.06Å
253S92.9Very high90.4Very high0 Ų036.8 Ų36.80%018%0.184CC..Hα-helixtrans-62.4-44.4178.5-58.70000112.2F188 W249 F250 Y256 L257F188-S253 WeakPolarHBondContact CD1-OG 3.36Å; W249-S253 PolarHBondContact NE1-OG 2.7Å; W249-S253 VanDerWaalsContact O-CB 3.27Å; W249-S253 WeakPolarHBondContact O-CB 3.23Å; W249-S253 PolarHBondContact O-N 2.84Å; W249-S253 PolarHBondContact O-OG 2.93Å; F250-S253 PolarHBondContact O-N 3.42Å; S253-Y256 CarbonylContact O-C 3.55Å; S253-Y256 PolarHBondContact O-N 2.89Å; S253-L257 PolarHBondContact O-N 3.38Å
254L91.5Very high90.2Very high11 Ų1138.5 Ų38.56%0.05819%0.193CC..Hα-helixtrans-71.9-35.8180-172.148.1000112F137 T217 F250 Y256 L257 V258F137-L254 HydrophobicContact CD1-CB 4.3Å; F137-L254 HydrophobicContact CD1-CD2 4.36Å; F137-L254 HydrophobicContact CD1-CG 4.12Å; F137-L254 HydrophobicContact CD2-CD2 3.78Å; F137-L254 HydrophobicContact CD2-CG 3.89Å; F137-L254 HydrophobicContact CE1-CB 4.31Å; F137-L254 HydrophobicContact CE1-CD2 4Å; F137-L254 HydrophobicContact CE1-CG 4.21Å; F137-L254 HydrophobicContact CE2-CD2 3.34Å; F137-L254 HydrophobicContact CE2-CG 3.97Å; F137-L254 HydrophobicContact CG-CD2 4.29Å; F137-L254 HydrophobicContact CG-CG 4Å; F137-L254 HydrophobicContact CZ-CD2 3.5Å; F137-L254 VanDerWaalsContact CZ-CD2 3.5Å; F137-L254 HydrophobicContact CZ-CG 4.16Å; T217-L254 HydrophobicContact CG2-CD1 3.63Å; T217-L254 HydrophobicContact CG2-CD2 3.8Å; T217-L254 HydrophobicContact CG2-CG 4.37Å; F250-L254 HydrophobicContact CE1-CB 4.12Å; F250-L254 HydrophobicContact CE1-CD2 3.55Å; F250-L254 HydrophobicContact CZ-CB 4.5Å; F250-L254 HydrophobicContact CZ-CD2 3.78Å; F250-L254 PolarHBondContact O-N 3.09Å; L254-Y256 VanDerWaalsContact C-N 3.3Å; L254-Y256 PolarHBondContact O-N 2.99Å; L254-L257 HydrophobicContact CD1-CB 4.34Å; L254-L257 HydrophobicContact CD1-CD2 4.44Å; L254-L257 PolarHBondContact O-N 3.19Å; L254-V258 PolarHBondContact O-N 2.91Å; L254-V258 VanDerWaalsContact O-N 3.07Å
255G91.3Very high89.9Confident0 Ų036.4 Ų36.40%019%0.185CC..Hα-helixtrans-60.5-38.3167.500000112.8G141 I251 F252 V258 M259G141-G255 WeakPolarHBondContact CA-O 3.44Å; I251-G255 PolarHBondContact O-N 3.2Å; I251-G255 VanDerWaalsContact O-N 3.15Å; F252-G255 PolarHBondContact O-N 2.79Å; G255-V258 PolarHBondContact O-N 3.47Å; G255-M259 PolarHBondContact O-N 2.86Å
256Y91.4Very high89.3Confident23 Ų2340.1 Ų40.19%0.0920%0.197CC..Hα-helixtrans-72.2-34.2175.4176.7-102.7000113.1A180 G184 F188 F252 S253 L254 V258 M259 I260A180-Y256 PolarHBondContact O-OH 3.44Å; G184-Y256 VanDerWaalsContact CA-CE1 3.47Å; G184-Y256 VanDerWaalsContact CA-CZ 3.5Å; G184-Y256 WeakPolarHBondContact CA-OH 3.46Å; F188-Y256 AromaticContact CD2-CD1 3.31Å; F188-Y256 HydrophobicContact CD2-CD1 3.31Å; F188-Y256 HydrophobicContact CD2-CD2 4.34Å; F188-Y256 AromaticContact CD2-CE1 3.95Å; F188-Y256 HydrophobicContact CD2-CE1 3.95Å; F188-Y256 AromaticContact CD2-CG 3.55Å; F188-Y256 HydrophobicContact CD2-CG 3.55Å; F188-Y256 AromaticContact CE2-CD1 3.64Å; F188-Y256 HydrophobicContact CE2-CD1 3.64Å; F188-Y256 AromaticContact CE2-CD2 3.85Å; F188-Y256 HydrophobicContact CE2-CD2 3.85Å; F188-Y256 HydrophobicContact CE2-CE1 4.41Å; F188-Y256 AromaticContact CE2-CG 3.31Å; F188-Y256 HydrophobicContact CE2-CG 3.31Å; F188-Y256 HydrophobicContact CG-CD1 4.28Å; F188-Y256 HydrophobicContact CZ-CG 4.29Å; F252-Y256 WeakPolarHBondContact O-CB 3.41Å; F252-Y256 PolarHBondContact O-N 3.06Å; S253-Y256 CarbonylContact O-C 3.55Å; S253-Y256 PolarHBondContact O-N 2.89Å; L254-Y256 VanDerWaalsContact C-N 3.3Å; L254-Y256 PolarHBondContact O-N 2.99Å; Y256-V258 VanDerWaalsContact C-N 3.3Å; Y256-V258 PolarHBondContact O-N 2.71Å; Y256-M259 HydrophobicContact CD2-CB 4.41Å; Y256-M259 HydrophobicContact CD2-SD 4.35Å; Y256-M259 HydrophobicContact CE2-SD 4Å; Y256-M259 CarbonylContact O-C 3.57Å; Y256-M259 WeakPolarHBondContact O-CA 3.13Å; Y256-M259 WeakPolarHBondContact O-CB 3.14Å; Y256-M259 PolarHBondContact O-N 3.41Å; Y256-M259 VanDerWaalsContact O-N 3.08Å; Y256-I260 HydrophobicContact CD1-CD1 3.97Å; Y256-I260 HydrophobicContact CD1-CG1 4.47Å; Y256-I260 HydrophobicContact CE1-CD1 3.25Å; Y256-I260 HydrophobicContact CE1-CG1 3.84Å; Y256-I260 HydrophobicContact CE2-CG1 4.36Å; Y256-I260 PolarHBondContact O-N 3.27Å
257L90.7Very high88.5Confident34 Ų3440.3 Ų40.318%0.17820%0.199CC..Hα-helixtrans-59.8-41.8169.6-175.3152.9000111T215 S253 L254 M259 I260 M261T215-L257 WeakPolarHBondContact O-CD1 3.35Å; S253-L257 PolarHBondContact O-N 3.38Å; L254-L257 HydrophobicContact CD1-CB 4.34Å; L254-L257 HydrophobicContact CD1-CD2 4.44Å; L254-L257 PolarHBondContact O-N 3.19Å; L257-M259 VanDerWaalsContact C-N 3.31Å; L257-M259 PolarHBondContact O-N 3.3Å; L257-I260 PolarHBondContact O-N 2.82Å; L257-M261 HydrophobicContact CD2-CE 4.37Å; L257-M261 HydrophobicContact CD2-CG 3.77Å; L257-M261 WeakPolarHBondContact O-CB 3.42Å; L257-M261 WeakPolarHBondContact O-CG 3.46Å; L257-M261 PolarHBondContact O-N 2.65Å
258V90.5Very high87.8Confident34 Ų3444.7 Ų44.721%0.20622%0.223CC..Hα-helixtrans-64.3-35.4173.4174.70000111.8F137 L254 G255 Y256 M261 T262F137-V258 HydrophobicContact CB-CG2 3.92Å; L254-V258 PolarHBondContact O-N 2.91Å; L254-V258 VanDerWaalsContact O-N 3.07Å; G255-V258 PolarHBondContact O-N 3.47Å; Y256-V258 VanDerWaalsContact C-N 3.3Å; Y256-V258 PolarHBondContact O-N 2.71Å; V258-M261 PolarHBondContact O-N 2.9Å; V258-T262 HydrophobicContact CG1-CG2 4.3Å; V258-T262 WeakPolarHBondContact O-CB 3.49Å; V258-T262 VanDerWaalsContact O-CG2 3.32Å; V258-T262 WeakPolarHBondContact O-CG2 3.39Å; V258-T262 PolarHBondContact O-N 2.8Å; V258-T262 PolarHBondContact O-OG1 3.33Å
259M89.2Confident87Confident7 Ų748.6 Ų48.63%0.03424%0.236CC..Hα-helixtrans-61.5-47170.5-177-83.9159.900111.7F144 F148 A180 G255 Y256 L257 T262 F263F144-M259 HydrophobicContact CB-CB 4.23Å; F144-M259 HydrophobicContact CB-CG 4.2Å; F148-M259 HydrophobicContact CD1-CE 4.22Å; A180-M259 HydrophobicContact CB-CE 4.37Å; G255-M259 PolarHBondContact O-N 2.86Å; Y256-M259 HydrophobicContact CD2-CB 4.41Å; Y256-M259 HydrophobicContact CD2-SD 4.35Å; Y256-M259 HydrophobicContact CE2-SD 4Å; Y256-M259 CarbonylContact O-C 3.57Å; Y256-M259 WeakPolarHBondContact O-CA 3.13Å; Y256-M259 WeakPolarHBondContact O-CB 3.14Å; Y256-M259 PolarHBondContact O-N 3.41Å; Y256-M259 VanDerWaalsContact O-N 3.08Å; L257-M259 VanDerWaalsContact C-N 3.31Å; L257-M259 PolarHBondContact O-N 3.3Å; M259-T262 PolarHBondContact O-OG1 2.67Å; M259-F263 HydrophobicContact CE-CB 4.13Å; M259-F263 HydrophobicContact CE-CD2 3.96Å; M259-F263 HydrophobicContact CE-CG 4.16Å; M259-F263 VanDerWaalsContact O-CB 3.28Å; M259-F263 WeakPolarHBondContact O-CB 3.19Å; M259-F263 PolarHBondContact O-N 3.09Å
260I88.7Confident86.2Confident38 Ų3848.9 Ų48.920%0.19524%0.24CC..Hα-helixtrans-59.8-51.5174.6-70.9170.7000110.8L181 Y256 L257 T262 F263 I264L181-I260 HydrophobicContact CD1-CD1 3.73Å; L181-I260 HydrophobicContact CD1-CG1 4.5Å; Y256-I260 HydrophobicContact CD1-CD1 3.97Å; Y256-I260 HydrophobicContact CD1-CG1 4.47Å; Y256-I260 HydrophobicContact CE1-CD1 3.25Å; Y256-I260 HydrophobicContact CE1-CG1 3.84Å; Y256-I260 HydrophobicContact CE2-CG1 4.36Å; Y256-I260 PolarHBondContact O-N 3.27Å; L257-I260 PolarHBondContact O-N 2.82Å; I260-T262 VanDerWaalsContact C-N 3.33Å; I260-T262 PolarHBondContact O-N 3.45Å; I260-F263 CarbonylContact O-C 3.49Å; I260-F263 PolarHBondContact O-N 2.92Å; I260-I264 HydrophobicContact CG2-CD1 3.53Å; I260-I264 HydrophobicContact CG2-CG1 4.09Å; I260-I264 WeakPolarHBondContact O-CG1 3.38Å; I260-I264 PolarHBondContact O-N 3.1Å
261M87Confident85.3Confident101 Ų10156.7 Ų56.750%0.49827%0.274SS..Hα-helixtrans-62.6-39.3-175.8-73.2-64.9-178.700112.1L257 V258 T265L257-M261 HydrophobicContact CD2-CE 4.37Å; L257-M261 HydrophobicContact CD2-CG 3.77Å; L257-M261 WeakPolarHBondContact O-CB 3.42Å; L257-M261 WeakPolarHBondContact O-CG 3.46Å; L257-M261 PolarHBondContact O-N 2.65Å; V258-M261 PolarHBondContact O-N 2.9Å; M261-T265 VanDerWaalsContact O-CB 3.24Å; M261-T265 WeakPolarHBondContact O-CB 3.04Å; M261-T265 PolarHBondContact O-N 2.81Å; M261-T265 PolarHBondContact O-OG1 2.87Å
262T85.4Confident84.2Confident33 Ų3360.6 Ų60.620%0.20229%0.29CS..Hα-helixtrans-69.5-35.2173.1550000112.1V258 M259 I260 T265 R266 I799V258-T262 HydrophobicContact CG1-CG2 4.3Å; V258-T262 WeakPolarHBondContact O-CB 3.49Å; V258-T262 VanDerWaalsContact O-CG2 3.32Å; V258-T262 WeakPolarHBondContact O-CG2 3.39Å; V258-T262 PolarHBondContact O-N 2.8Å; V258-T262 PolarHBondContact O-OG1 3.33Å; M259-T262 PolarHBondContact O-OG1 2.67Å; I260-T262 VanDerWaalsContact C-N 3.33Å; I260-T262 PolarHBondContact O-N 3.45Å; T262-T265 PolarHBondContact O-N 2.99Å; T262-R266 WeakPolarHBondContact O-CB 3.47Å; T262-R266 WeakPolarHBondContact O-CD 3.35Å; T262-R266 WeakPolarHBondContact O-CG 3.45Å; T262-R266 PolarHBondContact O-N 3.18Å; T262-I799 HydrophobicContact CG2-CD1 4.02Å
263F82.2Confident83Confident49 Ų4959.7 Ų59.722%0.21529%0.289CS..Hα-helixtrans-69.7-43.6176.3-160.7-95000112.6V177 M259 I260 R266 G267V177-F263 HydrophobicContact CB-CD1 4.43Å; V177-F263 HydrophobicContact CB-CE1 4.24Å; V177-F263 HydrophobicContact CG2-CD1 3.74Å; V177-F263 HydrophobicContact CG2-CE1 3.61Å; M259-F263 HydrophobicContact CE-CB 4.13Å; M259-F263 HydrophobicContact CE-CD2 3.96Å; M259-F263 HydrophobicContact CE-CG 4.16Å; M259-F263 VanDerWaalsContact O-CB 3.28Å; M259-F263 WeakPolarHBondContact O-CB 3.19Å; M259-F263 PolarHBondContact O-N 3.09Å; I260-F263 CarbonylContact O-C 3.49Å; I260-F263 PolarHBondContact O-N 2.92Å; F263-R266 PolarHBondContact O-N 3.01Å; F263-G267 PolarHBondContact O-N 3.26Å
264I83.8Confident82Confident68 Ų6861.5 Ų61.535%0.34930%0.304SS..Hα-helixtrans-60.8-44.8171.4-67.5175.1000110I260 G267 L268I260-I264 HydrophobicContact CG2-CD1 3.53Å; I260-I264 HydrophobicContact CG2-CG1 4.09Å; I260-I264 WeakPolarHBondContact O-CG1 3.38Å; I260-I264 PolarHBondContact O-N 3.1Å; I264-G267 CarbonylContact O-C 3.6Å; I264-G267 VanDerWaalsContact O-CA 3.31Å; I264-G267 WeakPolarHBondContact O-CA 3.22Å; I264-G267 PolarHBondContact O-N 3.06Å; I264-L268 HydrophobicContact CG2-CD1 3.95Å; I264-L268 HydrophobicContact CG2-CG 4.25Å; I264-L268 WeakPolarHBondContact O-CG 3.45Å; I264-L268 PolarHBondContact O-N 3.26Å
265T84.1Confident81.4Confident57 Ų5767.2 Ų67.235%0.3533%0.326SS..Hα-helixtrans-61.7-46.4178.1-62.10000111.9M261 T262 G267 L268 Q269M261-T265 VanDerWaalsContact O-CB 3.24Å; M261-T265 WeakPolarHBondContact O-CB 3.04Å; M261-T265 PolarHBondContact O-N 2.81Å; M261-T265 PolarHBondContact O-OG1 2.87Å; T262-T265 PolarHBondContact O-N 2.99Å; T265-G267 PolarHBondContact O-N 3.35Å; T265-L268 PolarHBondContact O-N 3.47Å; T265-Q269 WeakPolarHBondContact O-CB 3.12Å; T265-Q269 VanDerWaalsContact O-CG 3.27Å; T265-Q269 WeakPolarHBondContact O-CG 3.27Å; T265-Q269 PolarHBondContact O-N 3.14Å
266R80.2Confident80.6Confident141 Ų14171.4 Ų71.453%0.53235%0.347SS..Hα-helixtrans-61-32.1172.2-71.6167.6-175.9-173.63.3111.6T262 F263 S270T262-R266 WeakPolarHBondContact O-CB 3.47Å; T262-R266 WeakPolarHBondContact O-CD 3.35Å; T262-R266 WeakPolarHBondContact O-CG 3.45Å; T262-R266 PolarHBondContact O-N 3.18Å; F263-R266 PolarHBondContact O-N 3.01Å; R266-S270 PolarHBondContact O-N 3Å
267G75Confident79.8Confident5 Ų575.2 Ų75.25%0.05237%0.366CS..Hα-helixtrans-65.3-52.5174.100000113.9F263 I264 T265 Q269 S270F263-G267 PolarHBondContact O-N 3.26Å; I264-G267 CarbonylContact O-C 3.6Å; I264-G267 VanDerWaalsContact O-CA 3.31Å; I264-G267 WeakPolarHBondContact O-CA 3.22Å; I264-G267 PolarHBondContact O-N 3.06Å; T265-G267 PolarHBondContact O-N 3.35Å; G267-Q269 VanDerWaalsContact C-N 3.28Å; G267-Q269 PolarHBondContact O-N 2.96Å; G267-S270 WeakPolarHBondContact O-CB 3.28Å; G267-S270 PolarHBondContact O-N 2.83Å; G267-S270 PolarHBondContact O-OG 3.44Å
268L77.5Confident79.4Confident118 Ų11879.7 Ų79.762%0.61839%0.386SS*.Hα-helixtrans-62.9-34.3177.2-66.3173.5000112I264 T265 S270 L273I264-L268 HydrophobicContact CG2-CD1 3.95Å; I264-L268 HydrophobicContact CG2-CG 4.25Å; I264-L268 WeakPolarHBondContact O-CG 3.45Å; I264-L268 PolarHBondContact O-N 3.26Å; T265-L268 PolarHBondContact O-N 3.47Å; L268-S270 VanDerWaalsContact C-N 3.3Å; L268-S270 PolarHBondContact O-N 3.44Å; L268-L273 HydrophobicContact CD2-CD2 3.76Å
269Q76.4Confident78.9Confident150 Ų15081.6 Ų81.670%0.70139%0.393SS*.THydrogen-bonded Turntrans-80.2-3.9174.9-67.9177.29.400114.1T265 G267T265-Q269 WeakPolarHBondContact O-CB 3.12Å; T265-Q269 VanDerWaalsContact O-CG 3.27Å; T265-Q269 WeakPolarHBondContact O-CG 3.27Å; T265-Q269 PolarHBondContact O-N 3.14Å; G267-Q269 VanDerWaalsContact C-N 3.28Å; G267-Q269 PolarHBondContact O-N 2.96Å
270S76.1Confident78.3Confident20 Ų2086.8 Ų86.814%0.1442%0.42CS..  trans-68.5139.7-173.573.30000112.4R266 G267 L268 K272 L273 A274R266-S270 PolarHBondContact O-N 3Å; G267-S270 WeakPolarHBondContact O-CB 3.28Å; G267-S270 PolarHBondContact O-N 2.83Å; G267-S270 PolarHBondContact O-OG 3.44Å; L268-S270 VanDerWaalsContact C-N 3.3Å; L268-S270 PolarHBondContact O-N 3.44Å; S270-K272 PolarHBondContact O-N 2.88Å; S270-K272 VanDerWaalsContact O-N 3.14Å; S270-L273 PolarHBondContact O-N 3.42Å; S270-L273 WeakPolarHBondContact OG-CB 3.32Å; S270-L273 PolarHBondContact OG-N 3.33Å; S270-L273 VanDerWaalsContact OG-N 3.13Å; S270-A274 PolarHBondContact O-N 2.72Å
271K72.7Confident77.8Confident173 Ų17386.8 Ų86.875%0.75242%0.424SS*.Hα-helixtrans-57-29.6174.1-66.8-175.4179.9-178.90112.4Y275K271-Y275 WeakPolarHBondContact O-CB 3.21Å; K271-Y275 PolarHBondContact O-N 2.92Å
272K68.3Low77.5Confident120 Ų12085.1 Ų85.152%0.52242%0.421SS..Hα-helixtrans-67.5-43174.2-72.7-158.2172.1-161.70111.7S270 Y275 L276S270-K272 PolarHBondContact O-N 2.88Å; S270-K272 VanDerWaalsContact O-N 3.14Å; K272-Y275 PolarHBondContact O-N 3.3Å; K272-L276 WeakPolarHBondContact O-CG 3.46Å; K272-L276 PolarHBondContact O-N 2.93Å
273L68.4Low77.3Confident71 Ų7188.2 Ų88.237%0.37244%0.437SS..Hα-helixtrans-69.7-38174.8-165.572.1000112L268 S270 Y275 L276 E277L268-L273 HydrophobicContact CD2-CD2 3.76Å; S270-L273 PolarHBondContact O-N 3.42Å; S270-L273 WeakPolarHBondContact OG-CB 3.32Å; S270-L273 PolarHBondContact OG-N 3.33Å; S270-L273 VanDerWaalsContact OG-N 3.13Å; L273-Y275 VanDerWaalsContact C-N 3.26Å; L273-Y275 PolarHBondContact O-N 3.48Å; L273-L276 HydrophobicContact CD1-CB 4.5Å; L273-L276 HydrophobicContact CD1-CD1 4.32Å; L273-L276 CarbonylContact O-C 3.58Å; L273-L276 PolarHBondContact O-N 3.36Å; L273-L276 VanDerWaalsContact O-N 3.12Å; L273-E277 PolarHBondContact O-N 3.22Å
274A72.7Confident77.1Confident38 Ų3891 Ų9131%0.31445%0.453SS..Hα-helixtrans-61.9-33.7173.500000112.7S270 Q278S270-A274 PolarHBondContact O-N 2.72Å; A274-Q278 VanDerWaalsContact O-CG 3.27Å; A274-Q278 WeakPolarHBondContact O-CG 3.4Å; A274-Q278 PolarHBondContact O-N 2.88Å
275Y77.7Confident77.1Confident132 Ų13293.5 Ų93.552%0.51846%0.462SS..Hα-helixtrans-69.5-40.6171.4179.8-100.2000112K271 K272 L273 Q278 Q279K271-Y275 WeakPolarHBondContact O-CB 3.21Å; K271-Y275 PolarHBondContact O-N 2.92Å; K272-Y275 PolarHBondContact O-N 3.3Å; L273-Y275 VanDerWaalsContact C-N 3.26Å; L273-Y275 PolarHBondContact O-N 3.48Å; Y275-Q278 CarbonylContact O-C 3.5Å; Y275-Q278 WeakPolarHBondContact O-CB 3.09Å; Y275-Q278 PolarHBondContact O-N 2.81Å; Y275-Q279 HydrophobicContact CD1-CG 4.28Å; Y275-Q279 HydrophobicContact CE1-CG 3.89Å; Y275-Q279 VanDerWaalsContact CE1-NE2 3.34Å; Y275-Q279 PolarHBondContact O-N 2.93Å; Y275-Q279 PolarHBondContact OH-NE2 3.46Å
276L74.7Confident76.9Confident88 Ų8893.5 Ų93.546%0.46147%0.468SS..Hα-helixtrans-65.4-37.1173-68.7168.8000112.4K272 L273 Q278 Q279 L280K272-L276 WeakPolarHBondContact O-CG 3.46Å; K272-L276 PolarHBondContact O-N 2.93Å; L273-L276 HydrophobicContact CD1-CB 4.5Å; L273-L276 HydrophobicContact CD1-CD1 4.32Å; L273-L276 CarbonylContact O-C 3.58Å; L273-L276 PolarHBondContact O-N 3.36Å; L273-L276 VanDerWaalsContact O-N 3.12Å; L276-Q278 VanDerWaalsContact C-N 3.32Å; L276-Q278 PolarHBondContact O-N 3.49Å; L276-Q279 PolarHBondContact O-N 2.84Å; L276-L280 VanDerWaalsContact O-CB 3.27Å; L276-L280 WeakPolarHBondContact O-CB 3.49Å; L276-L280 PolarHBondContact O-N 3.03Å
277E75.5Confident76.7Confident102 Ų10290.5 Ų90.548%0.47747%0.465SS..Hα-helixtrans-61-41.8170.2-174.7-165.2154.800110.4R5 L273 S281R5-E277 IonicContact NH1-OE1 3.22Å; R5-E277 IonicContact NH2-OE1 2.9Å; L273-E277 PolarHBondContact O-N 3.22Å; E277-S281 WeakPolarHBondContact O-CB 3.37Å; E277-S281 PolarHBondContact O-N 2.86Å; E277-S281 PolarHBondContact O-OG 3.01Å
278Q81.7Confident76.8Confident128 Ų12895.6 Ų95.660%0.59849%0.488SS*.Hα-helixtrans-67.5-39.8176.2-74.3173.212.600112.5A274 Y275 L276 S281 S282A274-Q278 VanDerWaalsContact O-CG 3.27Å; A274-Q278 WeakPolarHBondContact O-CG 3.4Å; A274-Q278 PolarHBondContact O-N 2.88Å; Y275-Q278 CarbonylContact O-C 3.5Å; Y275-Q278 WeakPolarHBondContact O-CB 3.09Å; Y275-Q278 PolarHBondContact O-N 2.81Å; L276-Q278 VanDerWaalsContact C-N 3.32Å; L276-Q278 PolarHBondContact O-N 3.49Å; Q278-S281 PolarHBondContact O-OG 3.39Å; Q278-S282 VanDerWaalsContact O-CB 3.23Å; Q278-S282 WeakPolarHBondContact O-CB 3.44Å; Q278-S282 PolarHBondContact O-N 3.08Å; Q278-S282 PolarHBondContact O-OG 3.4Å; Q278-S282 VanDerWaalsContact O-OG 3.1Å
279Q78.8Confident77Confident74 Ų7495.2 Ų95.235%0.34649%0.486SS..Hα-helixtrans-69-45174.2-75-172.9-43.800112.3Y275 L276 S282 N283Y275-Q279 HydrophobicContact CD1-CG 4.28Å; Y275-Q279 HydrophobicContact CE1-CG 3.89Å; Y275-Q279 VanDerWaalsContact CE1-NE2 3.34Å; Y275-Q279 PolarHBondContact O-N 2.93Å; Y275-Q279 PolarHBondContact OH-NE2 3.46Å; L276-Q279 PolarHBondContact O-N 2.84Å; Q279-S282 PolarHBondContact O-N 2.89Å; Q279-S282 PolarHBondContact O-OG 3.16Å; Q279-N283 WeakPolarHBondContact O-CB 3.41Å; Q279-N283 PolarHBondContact O-N 2.61Å; Q279-N283 PolarHBondContact O-ND2 3.08Å
280L77.3Confident77.2Confident116 Ų11695.4 Ų95.461%0.60748%0.48SS*.Hα-helixtrans-64-44.9178.2-168.379.8000110.3L276 N283 L284L276-L280 VanDerWaalsContact O-CB 3.27Å; L276-L280 WeakPolarHBondContact O-CB 3.49Å; L276-L280 PolarHBondContact O-N 3.03Å; L280-N283 PolarHBondContact O-N 3.29Å; L280-L284 HydrophobicContact CD2-CD1 4.33Å; L280-L284 HydrophobicContact CG-CD1 4.03Å; L280-L284 WeakPolarHBondContact O-CB 3.18Å; L280-L284 VanDerWaalsContact O-CG 3.31Å; L280-L284 WeakPolarHBondContact O-CG 3.38Å; L280-L284 PolarHBondContact O-N 3.05Å
281S78.4Confident77.2Confident39 Ų3999.5 Ų99.527%0.27350%0.5SS..Hα-helixtrans-76.2-19.518069.30000114.2E277 Q278 K285E277-S281 WeakPolarHBondContact O-CB 3.37Å; E277-S281 PolarHBondContact O-N 2.86Å; E277-S281 PolarHBondContact O-OG 3.01Å; Q278-S281 PolarHBondContact O-OG 3.39Å; S281-K285 WeakPolarHBondContact O-CB 3.28Å; S281-K285 WeakPolarHBondContact O-CD 3.34Å; S281-K285 WeakPolarHBondContact O-CG 3.22Å; S281-K285 PolarHBondContact O-N 3.24Å
282S79.9Confident77.2Confident65 Ų6599.4 Ų99.446%0.45550%0.495SS..Hα-helixtrans-78.3-43.5168.568.40000111.2Q278 Q279 K285 A286Q278-S282 VanDerWaalsContact O-CB 3.23Å; Q278-S282 WeakPolarHBondContact O-CB 3.44Å; Q278-S282 PolarHBondContact O-N 3.08Å; Q278-S282 PolarHBondContact O-OG 3.4Å; Q278-S282 VanDerWaalsContact O-OG 3.1Å; Q279-S282 PolarHBondContact O-N 2.89Å; Q279-S282 PolarHBondContact O-OG 3.16Å; S282-K285 PolarHBondContact O-N 2.99Å; S282-A286 WeakPolarHBondContact O-CB 3.35Å; S282-A286 PolarHBondContact O-N 3.48Å
283N81.7Confident77.7Confident99 Ų9996 Ų9653%0.52949%0.486SS..Hα-helixtrans-62.5-48.2174.7-78-64.9000111.9Q279 L280 K285 A286 T287Q279-N283 WeakPolarHBondContact O-CB 3.41Å; Q279-N283 PolarHBondContact O-N 2.61Å; Q279-N283 PolarHBondContact O-ND2 3.08Å; L280-N283 PolarHBondContact O-N 3.29Å; N283-K285 VanDerWaalsContact C-N 3.29Å; N283-K285 PolarHBondContact O-N 3.43Å; N283-A286 WeakPolarHBondContact O-CB 3.24Å; N283-A286 PolarHBondContact O-N 3.1Å; N283-A286 VanDerWaalsContact O-N 3.07Å; N283-T287 PolarHBondContact O-N 3Å; N283-T287 PolarHBondContact O-OG1 3.24Å
284L79.1Confident78.1Confident107 Ų10794 Ų9456%0.5648%0.482SS*.Hα-helixtrans-58.2-39.8176.3-77.1169.4000112.3L280 Q288L280-L284 HydrophobicContact CD2-CD1 4.33Å; L280-L284 HydrophobicContact CG-CD1 4.03Å; L280-L284 WeakPolarHBondContact O-CB 3.18Å; L280-L284 VanDerWaalsContact O-CG 3.31Å; L280-L284 WeakPolarHBondContact O-CG 3.38Å; L280-L284 PolarHBondContact O-N 3.05Å; L284-Q288 VanDerWaalsContact O-CB 3.27Å; L284-Q288 WeakPolarHBondContact O-CB 3.44Å; L284-Q288 PolarHBondContact O-N 2.84Å
285K83Confident78.3Confident120 Ų12096.1 Ų96.152%0.52249%0.491SS..Hα-helixtrans-69.2-37.3174.3-74169.4-167.2156.30112.6S281 S282 N283 N289S281-K285 WeakPolarHBondContact O-CB 3.28Å; S281-K285 WeakPolarHBondContact O-CD 3.34Å; S281-K285 WeakPolarHBondContact O-CG 3.22Å; S281-K285 PolarHBondContact O-N 3.24Å; S282-K285 PolarHBondContact O-N 2.99Å; N283-K285 VanDerWaalsContact C-N 3.29Å; N283-K285 PolarHBondContact O-N 3.43Å; K285-N289 WeakPolarHBondContact O-CB 3.47Å; K285-N289 PolarHBondContact O-N 3.36Å; K285-N289 PolarHBondContact O-ND2 3.49Å
286A80.4Confident78.3Confident57 Ų5793.5 Ų93.547%0.47149%0.489SS..Hα-helixtrans-63.6-45.4174.900000110.9S282 N283 N289 R290S282-A286 WeakPolarHBondContact O-CB 3.35Å; S282-A286 PolarHBondContact O-N 3.48Å; N283-A286 WeakPolarHBondContact O-CB 3.24Å; N283-A286 PolarHBondContact O-N 3.1Å; N283-A286 VanDerWaalsContact O-N 3.07Å; A286-N289 PolarHBondContact O-N 3Å; A286-R290 VanDerWaalsContact O-CB 3.29Å; A286-R290 WeakPolarHBondContact O-CB 3.2Å; A286-R290 PolarHBondContact O-N 2.78Å
287T76.5Confident78.5Confident78 Ų7895.7 Ų95.748%0.47949%0.494SS..Hα-helixtrans-62.9-48.7174.8-57.90000111.7N283 N289 R290 I291N283-T287 PolarHBondContact O-N 3Å; N283-T287 PolarHBondContact O-OG1 3.24Å; T287-N289 PolarHBondContact O-N 3.44Å; T287-R290 PolarHBondContact O-N 3.4Å; T287-R290 VanDerWaalsContact O-N 3.15Å; T287-I291 HydrophobicContact CG2-CD1 3.87Å; T287-I291 WeakPolarHBondContact O-CG1 3.25Å; T287-I291 PolarHBondContact O-N 3.35Å
288Q77.2Confident78.5Confident113 Ų11395.4 Ų95.453%0.52850%0.496SS..Hα-helixtrans-58.2-46.1176.8-176-179.37.300111.8L284 I291 W292L284-Q288 VanDerWaalsContact O-CB 3.27Å; L284-Q288 WeakPolarHBondContact O-CB 3.44Å; L284-Q288 PolarHBondContact O-N 2.84Å; Q288-I291 PolarHBondContact O-N 2.92Å; Q288-W292 WeakPolarHBondContact O-CB 3.38Å; Q288-W292 PolarHBondContact O-N 3.29Å
289N81.5Confident78.4Confident109 Ų10993.6 Ų93.658%0.58349%0.494SS*.Hα-helixtrans-65.2-38.2176.6-72.3-9.4000111.7K285 A286 T287 S293K285-N289 WeakPolarHBondContact O-CB 3.47Å; K285-N289 PolarHBondContact O-N 3.36Å; K285-N289 PolarHBondContact O-ND2 3.49Å; A286-N289 PolarHBondContact O-N 3Å; T287-N289 PolarHBondContact O-N 3.44Å; N289-S293 VanDerWaalsContact O-CB 3.22Å; N289-S293 WeakPolarHBondContact O-CB 3.47Å; N289-S293 PolarHBondContact O-N 3.13Å; N289-S293 PolarHBondContact O-OG 2.96Å
290R79.8Confident78.4Confident155 Ų15591.7 Ų91.759%0.58549%0.494SS*.Hα-helixtrans-64.9-46.2178.2-171.4176.4-177.2177.3-0.3111A286 T287 S293 G294A286-R290 VanDerWaalsContact O-CB 3.29Å; A286-R290 WeakPolarHBondContact O-CB 3.2Å; A286-R290 PolarHBondContact O-N 2.78Å; T287-R290 PolarHBondContact O-N 3.4Å; T287-R290 VanDerWaalsContact O-N 3.15Å; R290-S293 WeakPolarHBondContact CA-OG 3.44Å; R290-S293 PolarHBondContact O-N 3.08Å; R290-S293 PolarHBondContact O-OG 3.09Å; R290-G294 PolarHBondContact O-N 3.46Å
291I76.3Confident78.5Confident106 Ų10693.2 Ų93.254%0.54449%0.492SS..Hα-helixtrans-59.5-51.8175.3-66.5165.6000110.5T287 Q288 S293 G294 V295T287-I291 HydrophobicContact CG2-CD1 3.87Å; T287-I291 WeakPolarHBondContact O-CG1 3.25Å; T287-I291 PolarHBondContact O-N 3.35Å; Q288-I291 PolarHBondContact O-N 2.92Å; I291-S293 PolarHBondContact O-N 3.46Å; I291-G294 PolarHBondContact O-N 2.84Å; I291-V295 PolarHBondContact O-N 2.83Å; I291-V295 VanDerWaalsContact O-N 3.13Å
292W73.3Confident78.5Confident171 Ų17197.3 Ų97.365%0.64851%0.511SS*.Hα-helixtrans-59.1-34175.5-93.180.4000112.8Q288 G294 T296Q288-W292 WeakPolarHBondContact O-CB 3.38Å; Q288-W292 PolarHBondContact O-N 3.29Å; W292-G294 VanDerWaalsContact C-N 3.34Å; W292-T296 HydrophobicContact CE3-CG2 4.15Å; W292-T296 WeakPolarHBondContact O-CB 3.45Å; W292-T296 WeakPolarHBondContact O-CG2 3.23Å; W292-T296 PolarHBondContact O-N 2.86Å; W292-T296 VanDerWaalsContact O-N 3.07Å; W292-T296 PolarHBondContact O-OG1 2.89Å
293S78Confident78.6Confident49 Ų49103.4 Ų103.434%0.34352%0.524SS..Hα-helixtrans-74-20.5176.681.60000114.3N289 R290 I291 K297N289-S293 VanDerWaalsContact O-CB 3.22Å; N289-S293 WeakPolarHBondContact O-CB 3.47Å; N289-S293 PolarHBondContact O-N 3.13Å; N289-S293 PolarHBondContact O-OG 2.96Å; R290-S293 WeakPolarHBondContact CA-OG 3.44Å; R290-S293 PolarHBondContact O-N 3.08Å; R290-S293 PolarHBondContact O-OG 3.09Å; I291-S293 PolarHBondContact O-N 3.46Å; S293-K297 VanDerWaalsContact O-CD 3.28Å; S293-K297 WeakPolarHBondContact O-CD 3.07Å; S293-K297 WeakPolarHBondContact O-CG 3.47Å
294G77.5Confident78.6Confident27 Ų27104.8 Ų104.828%0.27852%0.522SS..Hα-helixtrans-74.3-66.3168.900000109.5R290 I291 W292 T296 K297 D298R290-G294 PolarHBondContact O-N 3.46Å; I291-G294 PolarHBondContact O-N 2.84Å; W292-G294 VanDerWaalsContact C-N 3.34Å; G294-T296 PolarHBondContact O-N 3.12Å; G294-K297 WeakPolarHBondContact O-CA 3.46Å; G294-K297 WeakPolarHBondContact O-CB 3.4Å; G294-K297 PolarHBondContact O-N 3.32Å; G294-D298 VanDerWaalsContact O-CG 3.24Å; G294-D298 PolarHBondContact O-N 3.09Å; G294-D298 VanDerWaalsContact O-OD2 3.05Å
295V75.9Confident78.5Confident83 Ų83106.3 Ų106.350%0.50353%0.527SS..Hα-helixtrans-48.1-40.6-178.6178.50000112.8I291 V299I291-V295 PolarHBondContact O-N 2.83Å; I291-V295 VanDerWaalsContact O-N 3.13Å; V295-V299 WeakPolarHBondContact O-CB 3.18Å; V295-V299 VanDerWaalsContact O-CG2 3.29Å; V295-V299 WeakPolarHBondContact O-CG2 3.08Å; V295-V299 PolarHBondContact O-N 3.37Å; V295-V299 VanDerWaalsContact O-N 3.15Å
296T79.1Confident78.1Confident78 Ų78106.4 Ų106.448%0.47953%0.533SS..Hα-helixtrans-76.2-24.1178.253.30000115W292 G294 G300W292-T296 HydrophobicContact CE3-CG2 4.15Å; W292-T296 WeakPolarHBondContact O-CB 3.45Å; W292-T296 WeakPolarHBondContact O-CG2 3.23Å; W292-T296 PolarHBondContact O-N 2.86Å; W292-T296 VanDerWaalsContact O-N 3.07Å; W292-T296 PolarHBondContact O-OG1 2.89Å; G294-T296 PolarHBondContact O-N 3.12Å; T296-G300 PolarHBondContact O-N 3.46Å
297K77.3Confident77.9Confident133 Ų133108.4 Ų108.458%0.57854%0.536SS*.Hα-helixtrans-73.2-41.3168.8-76.8172.4-1751780111.3S293 G294 G300 Y301S293-K297 VanDerWaalsContact O-CD 3.28Å; S293-K297 WeakPolarHBondContact O-CD 3.07Å; S293-K297 WeakPolarHBondContact O-CG 3.47Å; G294-K297 WeakPolarHBondContact O-CA 3.46Å; G294-K297 WeakPolarHBondContact O-CB 3.4Å; G294-K297 PolarHBondContact O-N 3.32Å; K297-G300 CarbonylContact O-C 3.53Å; K297-G300 VanDerWaalsContact O-CA 3.29Å; K297-G300 WeakPolarHBondContact O-CA 3.22Å; K297-G300 PolarHBondContact O-N 3.46Å; K297-Y301 PolarHBondContact O-N 3.49Å
298D76.9Confident78Confident96 Ų96110.4 Ų110.451%0.51354%0.54SS..Hα-helixtrans-66.3-46.4-175.9-51-33.2000110.2G294 G300 Y301 L302G294-D298 VanDerWaalsContact O-CG 3.24Å; G294-D298 PolarHBondContact O-N 3.09Å; G294-D298 VanDerWaalsContact O-OD2 3.05Å; D298-G300 PolarHBondContact O-N 2.82Å; D298-Y301 PolarHBondContact O-N 2.83Å; D298-L302 PolarHBondContact O-N 3.44Å
299V79Confident77.6Confident91 Ų91111.3 Ų111.355%0.55255%0.548SS*.Hα-helixtrans-58.9-33.6168.3172.10000112V295 R303V295-V299 WeakPolarHBondContact O-CB 3.18Å; V295-V299 VanDerWaalsContact O-CG2 3.29Å; V295-V299 WeakPolarHBondContact O-CG2 3.08Å; V295-V299 PolarHBondContact O-N 3.37Å; V295-V299 VanDerWaalsContact O-N 3.15Å; V299-R303 WeakPolarHBondContact O-CB 3.3Å; V299-R303 PolarHBondContact O-N 2.96Å; V299-R303 VanDerWaalsContact O-N 3.12Å
300G79.3Confident76.9Confident33 Ų33115 Ų11534%0.3456%0.555SS.*Hα-helixtrans-68.8-39.6175.900000114T296 K297 D298 R303 R304T296-G300 PolarHBondContact O-N 3.46Å; K297-G300 CarbonylContact O-C 3.53Å; K297-G300 VanDerWaalsContact O-CA 3.29Å; K297-G300 WeakPolarHBondContact O-CA 3.22Å; K297-G300 PolarHBondContact O-N 3.46Å; D298-G300 PolarHBondContact O-N 2.82Å; G300-R303 PolarHBondContact O-N 3.19Å; G300-R304 PolarHBondContact O-N 2.6Å; G300-R304 VanDerWaalsContact O-N 3.15Å
301Y79.6Confident76.1Confident148 Ų148113.8 Ų113.858%0.5856%0.559SS**Hα-helixtrans-69.5-46.3175.7-91.2-72000111.8K297 D298 R303 R304 M305K297-Y301 PolarHBondContact O-N 3.49Å; D298-Y301 PolarHBondContact O-N 2.83Å; Y301-R303 PolarHBondContact O-N 2.76Å; Y301-R304 PolarHBondContact O-N 3.15Å; Y301-M305 PolarHBondContact O-N 3.18Å
302L77.5Confident75.3Confident126 Ų126114.6 Ų114.666%0.6656%0.563SS**Hα-helixtrans-50.7-44.9171.2-99.9159.4000111.5D298 R304 L306D298-L302 PolarHBondContact O-N 3.44Å; L302-R304 PolarHBondContact O-N 3.09Å; L302-L306 WeakPolarHBondContact O-CB 3.44Å; L302-L306 PolarHBondContact O-N 3.45Å; L302-L306 VanDerWaalsContact O-N 3.09Å
303R81.8Confident74.5Confident192 Ų192114.4 Ų114.473%0.72557%0.567SS**Hα-helixtrans-67.5-30178-167.8175.9-176.8-161.4-0.1113.9V299 G300 Y301 N307V299-R303 WeakPolarHBondContact O-CB 3.3Å; V299-R303 PolarHBondContact O-N 2.96Å; V299-R303 VanDerWaalsContact O-N 3.12Å; G300-R303 PolarHBondContact O-N 3.19Å; Y301-R303 PolarHBondContact O-N 2.76Å; R303-N307 PolarHBondContact O-N 3.43Å
304R81Confident73.5Confident128 Ų128117.4 Ų117.448%0.48358%0.583SS.*Hα-helixtrans-72.1-49.8173.9-80.1-169.5178.8134.7-1.8111.8G300 Y301 L302 L306 N307 E308G300-R304 PolarHBondContact O-N 2.6Å; G300-R304 VanDerWaalsContact O-N 3.15Å; Y301-R304 PolarHBondContact O-N 3.15Å; L302-R304 PolarHBondContact O-N 3.09Å; R304-L306 VanDerWaalsContact C-N 3.27Å; R304-L306 PolarHBondContact O-N 3.26Å; R304-N307 WeakPolarHBondContact O-CB 3.15Å; R304-N307 PolarHBondContact O-N 3.04Å; R304-E308 PolarHBondContact O-N 2.66Å
305M77.2Confident72.5Confident139 Ų139124.7 Ų124.769%0.68561%0.607SS**Hα-helixtrans-54.3-45.2176.6-75.8-168.517800111.6Y301 N307 E308 L309Y301-M305 PolarHBondContact O-N 3.18Å; M305-N307 VanDerWaalsContact C-N 3.27Å; M305-N307 PolarHBondContact O-N 2.93Å; M305-E308 PolarHBondContact O-N 3.49Å; M305-L309 VanDerWaalsContact O-CB 3.27Å; M305-L309 WeakPolarHBondContact O-CB 3.18Å; M305-L309 PolarHBondContact O-N 2.84Å
306L75.1Confident71.7Confident122 Ų122123.7 Ų123.764%0.63960%0.602SS**Hα-helixtrans-61.7-34.5179-15483.5000112.8L302 R304 Y310L302-L306 WeakPolarHBondContact O-CB 3.44Å; L302-L306 PolarHBondContact O-N 3.45Å; L302-L306 VanDerWaalsContact O-N 3.09Å; R304-L306 VanDerWaalsContact C-N 3.27Å; R304-L306 PolarHBondContact O-N 3.26Å; L306-Y310 PolarHBondContact O-N 3.32Å
307N76.6Confident70.8Confident99 Ų99122.5 Ų122.553%0.52960%0.595SS.*Hα-helixtrans-74.9-43.9177.6-108.137.9000112.3R303 R304 M305 Y310 I311R303-N307 PolarHBondContact O-N 3.43Å; R304-N307 WeakPolarHBondContact O-CB 3.15Å; R304-N307 PolarHBondContact O-N 3.04Å; M305-N307 VanDerWaalsContact C-N 3.27Å; M305-N307 PolarHBondContact O-N 2.93Å; N307-Y310 WeakPolarHBondContact O-CB 3.23Å; N307-Y310 PolarHBondContact O-N 2.89Å; N307-I311 WeakPolarHBondContact O-CG1 3.33Å; N307-I311 PolarHBondContact O-N 3.28Å; N307-I311 VanDerWaalsContact O-N 3.1Å
308E77.7Confident70.2Confident121 Ų121119.6 Ų119.657%0.56558%0.581SS**Hα-helixtrans-66-41.7179.6-72.6174.1-164.900111.3R304 M305 Y310 I311 L312R304-E308 PolarHBondContact O-N 2.66Å; M305-E308 PolarHBondContact O-N 3.49Å; E308-Y310 PolarHBondContact O-N 3.27Å; E308-I311 PolarHBondContact O-N 2.85Å; E308-I311 VanDerWaalsContact O-N 3.15Å; E308-L312 PolarHBondContact O-N 3.15Å; E308-L312 VanDerWaalsContact O-N 3.1Å
309L68.9Low69.4Low132 Ų132118.2 Ų118.269%0.69158%0.576SS**Hα-helixtrans-60.4-28.7172.8-170.467.7000112.8M305M305-L309 VanDerWaalsContact O-CB 3.27Å; M305-L309 WeakPolarHBondContact O-CB 3.18Å; M305-L309 PolarHBondContact O-N 2.84Å
310Y67.1Low68.3Low187 Ų187120.9 Ų120.973%0.73359%0.587SS**Hα-helixtrans-79.4-32.9176.6-139.9-83.2000112.9L306 N307 E308L306-Y310 PolarHBondContact O-N 3.32Å; N307-Y310 WeakPolarHBondContact O-CB 3.23Å; N307-Y310 PolarHBondContact O-N 2.89Å; E308-Y310 PolarHBondContact O-N 3.27Å
311I64Low67.2Low129 Ų129125.3 Ų125.366%0.66261%0.607SS**Hα-helixtrans-79.8-32.3-177-70.8167.8000112.1N307 E308 K313N307-I311 WeakPolarHBondContact O-CG1 3.33Å; N307-I311 PolarHBondContact O-N 3.28Å; N307-I311 VanDerWaalsContact O-N 3.1Å; E308-I311 PolarHBondContact O-N 2.85Å; E308-I311 VanDerWaalsContact O-N 3.15Å; I311-K313 PolarHBondContact O-N 3.21Å
312L57.8Low65.4Low123 Ų123126.1 Ų126.164%0.64462%0.621SS**THydrogen-bonded Turntrans-66.1-4.4177.5-75.6167.3000114.5E308 V314E308-L312 PolarHBondContact O-N 3.15Å; E308-L312 VanDerWaalsContact O-N 3.1Å; L312-V314 PolarHBondContact O-N 2.76Å
313K57.1Low63.9Low166 Ų166126 Ų12672%0.72262%0.62SS**THydrogen-bonded Turntrans-78.8-19.3-165-160.2159.5-173.4167.60115.7I311I311-K313 PolarHBondContact O-N 3.21Å
314V56.5Low61.9Low112 Ų112121.1 Ų121.168%0.67962%0.621SS**  trans-150129.9174-172.50000110.9L312L312-V314 PolarHBondContact O-N 2.76Å
315K57.7Low60Low181 Ų181124.6 Ų124.679%0.78764%0.635SS**  trans-138.6124.2158.5-87.2-173.1173.5-1780108.9
316P58.9Low58.4Low61 Ų61124 Ų12440%0.39664%0.64SS.*  trans-74.4150.2174.931-34.2000112Y318 L380 T385P316-Y318 HydrophobicContact CB-CE2 4.07Å; P316-Y318 HydrophobicContact CG-CE2 3.87Å; P316-L380 HydrophobicContact CB-CD1 3.83Å; P316-L380 HydrophobicContact CB-CG 4.22Å; P316-T385 HydrophobicContact CB-CG2 4.43Å
317V59.7Low57Low54 Ų54126.2 Ų126.233%0.32765%0.651SS.*  trans-112.4135.6172.4-178.50000108D381 K384 T385V317-D381 PolarHBondContact O-N 3.1Å; V317-K384 HydrophobicContact CB-CB 4.23Å; V317-K384 HydrophobicContact CG1-CB 4.02Å; V317-T385 PolarHBondContact N-OG1 3.25Å; V317-T385 PolarHBondContact O-OG1 3.06Å
318Y65.2Low55.7Low72 Ų72127.4 Ų127.428%0.28266%0.664SS.*BIsolated β-bridgetrans-117.2148.2178.5-60.3-89.4000109.7P316 K379 L380P316-Y318 HydrophobicContact CB-CE2 4.07Å; P316-Y318 HydrophobicContact CG-CE2 3.87Å; Y318-K379 WeakPolarHBondContact CA-O 3.22Å; Y318-K379 HydrophobicContact CD1-CB 4.21Å; Y318-L380 HydrophobicContact CD1-CB 4.08Å; Y318-L380 HydrophobicContact CE1-CB 3.96Å; Y318-L380 HydrophobicContact CE1-CD1 4.31Å; Y318-L380 HydrophobicContact CE1-CG 4.27Å
319T60.7Low54Low66 Ų66133 Ų13341%0.40568%0.68SS.*  trans-89.7119.2168.151.90000110.7K379 D381T319-K379 PolarHBondContact N-O 3.35Å; T319-D381 HydrophobicContact CG2-CB 3.97Å; T319-D381 WeakPolarHBondContact CG2-OD2 3.3Å
320D55.9Low53.1Low148 Ų148131.4 Ų131.479%0.79168%0.68SS**  trans-74.3153.4160.6-71.6-48.7000110.5
321V54.7Low52.3Low125 Ų125130.2 Ų130.276%0.75869%0.687SS**  trans-104.1116.8175.1178.10000108.3I323V321-I323 PolarHBondContact O-N 3.07Å
322D42.9Very low51.9Low165 Ų165129 Ų12988%0.88269%0.69SS**  trans-65.798.1-177.1-76.3-48.1000112.5
323I45.6Very low51.8Low124 Ų124129 Ų12964%0.63670%0.698SS**  trans-97.393.3167.8-56.3-179.6000108.5V321 Y325V321-I323 PolarHBondContact O-N 3.07Å; I323-Y325 HydrophobicContact CB-CE2 4.32Å; I323-Y325 HydrophobicContact CG2-CD2 4.06Å; I323-Y325 HydrophobicContact CG2-CE2 3.56Å; I323-Y325 WeakPolarHBondContact O-CD2 3.39Å; I323-Y325 PolarHBondContact O-N 3.48Å; I323-Y325 VanDerWaalsContact O-N 3.1Å
324A38.9Very low51.7Low89 Ų89125.9 Ų125.974%0.73670%0.695SS**  trans-7397.9-176.700000112.7T326A324-T326 PolarHBondContact O-N 3.31Å
325Y41.8Very low51.4Low202 Ų202126.4 Ų126.479%0.79269%0.694SS**  trans-8192.8173.2-78-82.6000112.4I323I323-Y325 HydrophobicContact CB-CE2 4.32Å; I323-Y325 HydrophobicContact CG2-CD2 4.06Å; I323-Y325 HydrophobicContact CG2-CE2 3.56Å; I323-Y325 WeakPolarHBondContact O-CD2 3.39Å; I323-Y325 PolarHBondContact O-N 3.48Å; I323-Y325 VanDerWaalsContact O-N 3.1Å
326T43.9Very low51.1Low126 Ų126124.2 Ų124.277%0.77369%0.69SS**  trans-87.5109.1170.256.10000111.4A324A324-T326 PolarHBondContact O-N 3.31Å
327L46.2Very low51.1Low168 Ų168125.7 Ų125.788%0.8870%0.702SS**  trans-100.6116.2173.2-82.2165.6000111.1
328P47.6Very low50.9Low125 Ų125129.5 Ų129.581%0.81272%0.718SS**  trans-78.5155.1-179.332.2-35.1000112.7
329R43.2Very low50.4Low237 Ų237134.8 Ų134.889%0.89474%0.739SS**  trans-110.5126-177.2-166.6179.5-170.6176.32.7110.3
330S50.4Low49.8Very low99 Ų99143.2 Ų143.269%0.69276%0.763SS**  trans-103.8131.8-17650.50000113.3S332S330-S332 PolarHBondContact O-N 2.87Å; S330-S332 VanDerWaalsContact O-N 3.16Å
331N50.3Low49.5Very low163 Ų163143.1 Ų143.187%0.87277%0.767SS**SBendtrans-89.354.8-171.9-70.2-17.6000113.5
332S54.7Low49.2Very low104 Ų104145 Ų14573%0.72777%0.768SS**  trans-145.727.7-171.170.40000116.8S330S330-S332 PolarHBondContact O-N 2.87Å; S330-S332 VanDerWaalsContact O-N 3.16Å
333C55.8Low49.7Very low122 Ų122143.1 Ų143.182%0.82477%0.765SS**  trans-138.9111.1176.2-165.60000111.9
334P56.1Low49.6Very low101 Ų101141.2 Ų141.266%0.65677%0.768SS**  trans-83.4158.2172.734.4-33.8000112.1L336P334-L336 HydrophobicContact CG-CD1 4.34Å
335D49.2Very low49.9Very low123 Ų123142.1 Ų142.166%0.65877%0.766SS**  trans-77.8128.7179.2-173.22000112S337D335-S337 VanDerWaalsContact CG-OG 3.23Å; D335-S337 WeakPolarHBondContact OD1-CB 3.43Å; D335-S337 PolarHBondContact OD1-N 3.25Å; D335-S337 PolarHBondContact OD1-OG 3.38Å; D335-S337 PolarHBondContact OD2-OG 3.43Å
336L50.8Low50.2Low135 Ų135140 Ų14071%0.70777%0.767SS**  trans-108.57.6176.8-89.580.1000113.5P334 M338P334-L336 HydrophobicContact CG-CD1 4.34Å; L336-M338 PolarHBondContact O-N 3.45Å
337S58.9Low50.2Low91 Ų91140.3 Ų140.364%0.63677%0.771SS**G310 helixtrans-62.1-21.5-179.866.20000114D335 Y339D335-S337 VanDerWaalsContact CG-OG 3.23Å; D335-S337 WeakPolarHBondContact OD1-CB 3.43Å; D335-S337 PolarHBondContact OD1-N 3.25Å; D335-S337 PolarHBondContact OD1-OG 3.38Å; D335-S337 PolarHBondContact OD2-OG 3.43Å; S337-Y339 VanDerWaalsContact C-N 3.27Å; S337-Y339 PolarHBondContact O-N 3.07Å
338M56.4Low49.9Very low134 Ų134137.4 Ų137.466%0.6676%0.764SS**G310 helixtrans-72.4-2.3-174.772.1-178.2-70.300116.4L336L336-M338 PolarHBondContact O-N 3.45Å
339Y54.5Low49.6Very low184 Ų184142.1 Ų142.172%0.72277%0.766SS**G310 helixtrans-124.220.5-167.1-73-58.7000117S337S337-Y339 VanDerWaalsContact C-N 3.27Å; S337-Y339 PolarHBondContact O-N 3.07Å
340R48.9Very low49.5Very low243 Ų243140.9 Ų140.992%0.91777%0.767SS**  trans-132126171.2-74.5-171.7178.7159.62.5114.2
341V49.6Very low49.2Very low145 Ų145146.2 Ų146.288%0.87977%0.772SS**  trans-96145.1172.8179.20000109.4
342E46.8Very low48.8Very low166 Ų166142.3 Ų142.378%0.77676%0.762SS**  trans-70.9155.9-177.1-62.4-173.212100114.6
343P53.1Low48.1Very low125 Ų125148 Ų14881%0.81277%0.774SS**  trans-120.611713333.8-26000111
344A44.3Very low47.6Very low84 Ų84146.5 Ų146.569%0.69477%0.765SS**  trans-97.7131.9-174.400000113.8
345P46.1Very low47.1Very low107 Ų107147.1 Ų147.170%0.69577%0.767SS**  trans-130123.8166.633-15.7000115.2
346I47.9Very low46.8Very low159 Ų159144.9 Ų144.982%0.81576%0.76SS**  trans66.7111.4147.8-50.2168.5000117.8S348I346-S348 PolarHBondContact O-N 3.32Å
347P43.2Very low46.7Very low132 Ų132142 Ų14286%0.85776%0.756SS**  trans-78.2109.117631.2-33.7000112.8
348S41Very low46.3Very low107 Ų107143.8 Ų143.875%0.74876%0.758SS**  trans-79.2128.2173.6670000112.3I346 K350I346-S348 PolarHBondContact O-N 3.32Å; S348-K350 PolarHBondContact O-N 3.05Å
349R39.5Very low46Very low223 Ų223143.2 Ų143.284%0.84276%0.755SS**  trans-75.291.7-173.2-176-172.6-172.7-178.36111.7R351R349-R351 PolarHBondContact O-N 3.38Å
350K41.7Very low45.8Very low211 Ų211138 Ų13892%0.91774%0.742SS**  trans-52.5124.2173.9-74-171.3176.6-178.10111.2S348S348-K350 PolarHBondContact O-N 3.05Å
351R43.6Very low45.9Very low212 Ų212129.2 Ų129.280%0.872%0.721SS**  trans-127.7152.1173.3-177.3-168.2-80.3-142.44.9107.4R349R349-R351 PolarHBondContact O-N 3.38Å
352A42Very low46.1Very low80 Ų80125.3 Ų125.366%0.66170%0.704SS**SBendtrans76.4141.9172.800000116.9S354A352-S354 PolarHBondContact O-N 2.85Å
353F40.7Very low46.3Very low224 Ų224124.4 Ų124.498%0.98270%0.7SS**SBendtrans-66.4100.8150.1-89.3-111.4000107.3
354S46Very low46.1Very low90 Ų90128.7 Ų128.763%0.62970%0.7SS**  trans-154.560.8169.2630000109.9A352A352-S354 PolarHBondContact O-N 2.85Å
355V44.1Very low46.2Very low114 Ų114133.2 Ų133.269%0.69171%0.707SS**  trans-70.2132.4156.6177.60000106.4A357 M359 V360V355-A357 PolarHBondContact O-N 3.25Å; V355-M359 HydrophobicContact CG1-CB 4.49Å; V355-V360 HydrophobicContact CG1-CG2 4.38Å
356C43.4Very low46.3Very low77 Ų77131.5 Ų131.552%0.5270%0.702SS.*  trans-57.7134.9-174.5-62.80000111.3D358 M359 V360C356-D358 PolarHBondContact O-N 3.06Å; C356-M359 PolarHBondContact O-N 3.02Å; C356-M359 VanDerWaalsContact O-N 3.09Å; C356-V360 PolarHBondContact O-N 2.68Å
357A49Very low45.8Very low74 Ų74127.2 Ų127.261%0.61270%0.697SS**Hα-helixtrans-56.9-33.3179.100000111.7V355 M359 V360 A361V355-A357 PolarHBondContact O-N 3.25Å; A357-M359 VanDerWaalsContact C-N 3.34Å; A357-M359 PolarHBondContact O-N 2.97Å; A357-V360 CarbonylContact O-C 3.58Å; A357-V360 WeakPolarHBondContact O-CA 3.2Å; A357-V360 PolarHBondContact O-N 3.23Å; A357-A361 PolarHBondContact O-N 2.84Å
358D51.3Low45.6Very low128 Ų128129.3 Ų129.368%0.68470%0.698SS**Hα-helixtrans-66.8-32.1-179.4-41.9-64000112.6C356 A361 A362C356-D358 PolarHBondContact O-N 3.06Å; D358-A361 PolarHBondContact O-N 2.73Å; D358-A362 WeakPolarHBondContact O-CB 3.27Å; D358-A362 PolarHBondContact O-N 2.94Å
359M49.3Very low45.6Very low122 Ų122130 Ų13060%0.60170%0.697SS**Hα-helixtrans-71.2-33.8171-72.9-169.370.700112V355 C356 A357 A361 Q363V355-M359 HydrophobicContact CG1-CB 4.49Å; C356-M359 PolarHBondContact O-N 3.02Å; C356-M359 VanDerWaalsContact O-N 3.09Å; A357-M359 VanDerWaalsContact C-N 3.34Å; A357-M359 PolarHBondContact O-N 2.97Å; M359-A361 VanDerWaalsContact C-N 3.34Å; M359-Q363 VanDerWaalsContact O-CB 3.28Å; M359-Q363 WeakPolarHBondContact O-CB 3.41Å; M359-Q363 PolarHBondContact O-N 2.86Å
360V50Low45.9Very low75 Ų75127.3 Ų127.346%0.45569%0.693SS.*Hα-helixtrans-74.4-27.8176.5-1770000111.3V355 C356 A357 R364V355-V360 HydrophobicContact CG1-CG2 4.38Å; C356-V360 PolarHBondContact O-N 2.68Å; A357-V360 CarbonylContact O-C 3.58Å; A357-V360 WeakPolarHBondContact O-CA 3.2Å; A357-V360 PolarHBondContact O-N 3.23Å; V360-R364 WeakPolarHBondContact O-CG 3.35Å; V360-R364 PolarHBondContact O-N 3.42Å
361A51.2Low46Very low58 Ų58119.9 Ų119.948%0.47967%0.671SS.*Hα-helixtrans-68.6-53.1168.300000111.1A357 D358 M359 Q363 R364A357-A361 PolarHBondContact O-N 2.84Å; D358-A361 PolarHBondContact O-N 2.73Å; M359-A361 VanDerWaalsContact C-N 3.34Å; A361-Q363 VanDerWaalsContact C-N 3.28Å; A361-Q363 PolarHBondContact O-N 2.91Å; A361-R364 WeakPolarHBondContact O-CB 3.35Å; A361-R364 PolarHBondContact O-N 3.15Å
362A54.4Low46.3Very low63 Ų63116.1 Ų116.152%0.52167%0.667SS.*Hα-helixtrans-58.9-37.3178.100000112.9D358 R364 E365D358-A362 WeakPolarHBondContact O-CB 3.27Å; D358-A362 PolarHBondContact O-N 2.94Å; A362-R364 PolarHBondContact O-N 3.18Å; A362-E365 PolarHBondContact O-N 3.22Å
363Q50.5Low46.7Very low148 Ų148115.5 Ų115.569%0.69266%0.658SS**Hα-helixtrans-74.8-6.3177.6-165.3167.30.300113.9M359 A361M359-Q363 VanDerWaalsContact O-CB 3.28Å; M359-Q363 WeakPolarHBondContact O-CB 3.41Å; M359-Q363 PolarHBondContact O-N 2.86Å; A361-Q363 VanDerWaalsContact C-N 3.28Å; A361-Q363 PolarHBondContact O-N 2.91Å
364R47.9Very low47.4Very low214 Ų214111.6 Ų111.681%0.80865%0.647SS**Hα-helixtrans-81.4-21171.2-82.4175.2166.6-171.3-4.7113.9V360 A361 A362V360-R364 WeakPolarHBondContact O-CG 3.35Å; V360-R364 PolarHBondContact O-N 3.42Å; A361-R364 WeakPolarHBondContact O-CB 3.35Å; A361-R364 PolarHBondContact O-N 3.15Å; A362-R364 PolarHBondContact O-N 3.18Å
365E48.4Very low48Very low179 Ų179113.1 Ų113.184%0.83665%0.653SS**Hα-helixtrans-86.2-21.1176.5-61.6-174.6145.900112A362 G367A362-E365 PolarHBondContact O-N 3.22Å; E365-G367 PolarHBondContact O-N 3.41Å; E365-G367 VanDerWaalsContact O-N 3.11Å
366A47.4Very low48.7Very low71 Ų71110.4 Ų110.459%0.58763%0.633SS**SBendtrans-78.189.517100000110.8M368A366-M368 PolarHBondContact O-N 2.94Å
367G37.2Very low49.4Very low69 Ų69112.5 Ų112.571%0.71164%0.638SS**  trans-57.2124.9-165.500000116.6E365E365-G367 PolarHBondContact O-N 3.41Å; E365-G367 VanDerWaalsContact O-N 3.11Å
368M39.2Very low50.1Low177 Ų177114.3 Ų114.387%0.87265%0.647SS**  trans-131.896.1149.7-158.1178.481.600107.2A366 H370A366-M368 PolarHBondContact O-N 2.94Å; M368-H370 PolarHBondContact O-N 3.45Å
369V41.1Very low50.7Low120 Ų120112.1 Ų112.173%0.72763%0.631SS**  trans-74.1110.3-164.7179.80000110.8
370H46.4Very low51.4Low167 Ų167108.4 Ų108.477%0.77361%0.613SS**  trans-86.5109.9165.2-131.1-62.4000108.3M368 N372M368-H370 PolarHBondContact O-N 3.45Å; H370-N372 PolarHBondContact O-N 2.93Å; H370-N372 VanDerWaalsContact O-N 3.09Å
371A43.5Very low52.3Low55 Ų55106 Ų10646%0.45560%0.598SS.*  trans-65109.2-175.400000111.9
372N50.1Low53.2Low133 Ų133112.4 Ų112.471%0.71161%0.61SS**  trans-88.1118.5166-72.2-26.8000107.9H370 D374H370-N372 PolarHBondContact O-N 2.93Å; H370-N372 VanDerWaalsContact O-N 3.09Å; N372-D374 VanDerWaalsContact C-N 3.33Å; N372-D374 PolarHBondContact O-N 3.35Å; N372-D374 VanDerWaalsContact O-N 3.17Å
373S49.3Very low54Low68 Ų68116.9 Ų116.948%0.47662%0.62SS.*THydrogen-bonded Turntrans-75.7-5.6-154.650.70000117.6
374D55.1Low54.9Low141 Ų141114.8 Ų114.875%0.75461%0.609SS**THydrogen-bonded Turntrans-88.6-18.3-167.6-64.2-6.8000113.7N372N372-D374 VanDerWaalsContact C-N 3.33Å; N372-D374 PolarHBondContact O-N 3.35Å; N372-D374 VanDerWaalsContact O-N 3.17Å
375T59.7Low55.7Low123 Ų123105.1 Ų105.176%0.75557%0.573SS**THydrogen-bonded Turntrans-111.4-18.4-18042.60000115L377T375-L377 VanDerWaalsContact C-N 3.32Å; T375-L377 PolarHBondContact O-N 2.84Å
376E58.1Low56.4Low57 Ų57101.7 Ų101.727%0.26656%0.556SS.*  trans-93.522.3-178.1-57.8-135.6130.100114S378 K379E376-S378 PolarHBondContact O-N 3.13Å; E376-K379 PolarHBondContact O-N 2.68Å; E376-K379 VanDerWaalsContact OE1-CE 3.3Å; E376-K379 WeakPolarHBondContact OE1-CE 3.49Å; E376-K379 IonicContact OE1-NZ 2.72Å; E376-K379 PolarHBondContact OE1-NZ 3.4Å; E376-K379 WeakPolarHBondContact OE2-CD 3.19Å; E376-K379 WeakPolarHBondContact OE2-CE 3.19Å; E376-K379 IonicContact OE2-NZ 2.78Å; E376-K379 PolarHBondContact OE2-NZ 3.27Å
377L57.9Low57.3Low120 Ų120104.4 Ų104.463%0.62856%0.556SS**G310 helixtrans-55.9-19.3177.3-89.7158.7000114.4T375 L380T375-L377 VanDerWaalsContact C-N 3.32Å; T375-L377 PolarHBondContact O-N 2.84Å; L377-L380 HydrophobicContact CD2-CD1 4.34Å
378S64.3Low58.5Low113 Ų113104.9 Ų104.979%0.7955%0.545SS*.G310 helixtrans-78.7-16.6174.652.70000114.7E376E376-S378 PolarHBondContact O-N 3.13Å
379K64.7Low59.5Low82 Ų8298.7 Ų98.736%0.35752%0.523SS..G310 helixtrans-95.5-2.7174.5-60.7-175.9-171.4166.80113.5Y318 T319 E376 D381Y318-K379 WeakPolarHBondContact CA-O 3.22Å; Y318-K379 HydrophobicContact CD1-CB 4.21Å; T319-K379 PolarHBondContact N-O 3.35Å; E376-K379 PolarHBondContact O-N 2.68Å; E376-K379 VanDerWaalsContact OE1-CE 3.3Å; E376-K379 WeakPolarHBondContact OE1-CE 3.49Å; E376-K379 IonicContact OE1-NZ 2.72Å; E376-K379 PolarHBondContact OE1-NZ 3.4Å; E376-K379 WeakPolarHBondContact OE2-CD 3.19Å; E376-K379 WeakPolarHBondContact OE2-CE 3.19Å; E376-K379 IonicContact OE2-NZ 2.78Å; E376-K379 PolarHBondContact OE2-NZ 3.27Å; K379-D381 PolarHBondContact O-N 2.74Å
380L63.2Low60.6Low44 Ų4498.6 Ų98.623%0.2351%0.514CS..BIsolated β-bridgetrans-76.4109.7-176.1-169.1159000108.8P316 Y318 L377 R382 T385P316-L380 HydrophobicContact CB-CD1 3.83Å; P316-L380 HydrophobicContact CB-CG 4.22Å; Y318-L380 HydrophobicContact CD1-CB 4.08Å; Y318-L380 HydrophobicContact CE1-CB 3.96Å; Y318-L380 HydrophobicContact CE1-CD1 4.31Å; Y318-L380 HydrophobicContact CE1-CG 4.27Å; L377-L380 HydrophobicContact CD2-CD1 4.34Å; L380-R382 PolarHBondContact O-N 3.47Å; L380-T385 HydrophobicContact CD2-CG2 4.19Å; L380-T385 WeakPolarHBondContact CD2-OG1 3.2Å
381D68Low61.6Low25 Ų2593 Ų9313%0.13450%0.497CS..  trans-71100.4179.2-167.2-38.5000108.5V317 T319 K379 E383 K384 T385V317-D381 PolarHBondContact O-N 3.1Å; T319-D381 HydrophobicContact CG2-CB 3.97Å; T319-D381 WeakPolarHBondContact CG2-OD2 3.3Å; K379-D381 PolarHBondContact O-N 2.74Å; D381-E383 VanDerWaalsContact C-N 3.31Å; D381-E383 PolarHBondContact O-N 2.94Å; D381-E383 PolarHBondContact OD1-N 3.44Å; D381-K384 HydrophobicContact CB-CB 4.14Å; D381-K384 HydrophobicContact CB-CG 4.49Å; D381-K384 PolarHBondContact OD1-N 3Å; D381-K384 VanDerWaalsContact OD1-N 3.16Å; D381-K384 VanDerWaalsContact OD2-CD 3.3Å; D381-K384 WeakPolarHBondContact OD2-CD 3.29Å; D381-K384 WeakPolarHBondContact OD2-CE 3.38Å; D381-K384 IonicContact OD2-NZ 2.62Å; D381-K384 PolarHBondContact OD2-NZ 3.36Å; D381-T385 WeakPolarHBondContact O-CB 3.19Å; D381-T385 PolarHBondContact O-N 3.12Å; D381-T385 PolarHBondContact O-OG1 3Å
382R70.8Confident62.4Low191 Ų19196.9 Ų96.972%0.72150%0.501SS*.Hα-helixtrans-68.8-33.8-168-161.7171.9-176.5138-2.4111.6L380 F386L380-R382 PolarHBondContact O-N 3.47Å; R382-F386 HydrophobicContact CG-CD2 4.09Å; R382-F386 HydrophobicContact CG-CE2 4.11Å; R382-F386 WeakPolarHBondContact O-CD2 3.4Å; R382-F386 PolarHBondContact O-N 2.75Å
383E70.6Confident63.2Low157 Ų15798.5 Ų98.573%0.73450%0.497SS*.Hα-helixtrans-72.4-56177.8-64.8-179.1168.400109.4D381 T385 F386 E387D381-E383 VanDerWaalsContact C-N 3.31Å; D381-E383 PolarHBondContact O-N 2.94Å; D381-E383 PolarHBondContact OD1-N 3.44Å; E383-T385 PolarHBondContact O-N 3.37Å; E383-F386 CarbonylContact O-C 3.59Å; E383-F386 PolarHBondContact O-N 2.91Å; E383-E387 WeakPolarHBondContact O-CG 3.39Å; E383-E387 PolarHBondContact O-N 3.48Å
384K69.7Low64.3Low105 Ų105101.9 Ų101.946%0.45751%0.506SS..Hα-helixtrans-60.6-31.6179-64-173.8-172.965.40113.8V317 D381V317-K384 HydrophobicContact CB-CB 4.23Å; V317-K384 HydrophobicContact CG1-CB 4.02Å; D381-K384 HydrophobicContact CB-CB 4.14Å; D381-K384 HydrophobicContact CB-CG 4.49Å; D381-K384 PolarHBondContact OD1-N 3Å; D381-K384 VanDerWaalsContact OD1-N 3.16Å; D381-K384 VanDerWaalsContact OD2-CD 3.3Å; D381-K384 WeakPolarHBondContact OD2-CD 3.29Å; D381-K384 WeakPolarHBondContact OD2-CE 3.38Å; D381-K384 IonicContact OD2-NZ 2.62Å; D381-K384 PolarHBondContact OD2-NZ 3.36Å
385T65.4Low65.1Low11 Ų1198.9 Ų98.97%0.06749%0.492CS..Hα-helixtrans-64.3-40.7174.3-67.90000112P316 V317 L380 D381 E383P316-T385 HydrophobicContact CB-CG2 4.43Å; V317-T385 PolarHBondContact N-OG1 3.25Å; V317-T385 PolarHBondContact O-OG1 3.06Å; L380-T385 HydrophobicContact CD2-CG2 4.19Å; L380-T385 WeakPolarHBondContact CD2-OG1 3.2Å; D381-T385 WeakPolarHBondContact O-CB 3.19Å; D381-T385 PolarHBondContact O-N 3.12Å; D381-T385 PolarHBondContact O-OG1 3Å; E383-T385 PolarHBondContact O-N 3.37Å
386F62.7Low65.8Low107 Ų10797.1 Ų97.147%0.46948%0.481SS..Hα-helixtrans-95.7-18.7-176.4-69.6-61.9000114.3R382 E383 T388 A389 E390R382-F386 HydrophobicContact CG-CD2 4.09Å; R382-F386 HydrophobicContact CG-CE2 4.11Å; R382-F386 WeakPolarHBondContact O-CD2 3.4Å; R382-F386 PolarHBondContact O-N 2.75Å; E383-F386 CarbonylContact O-C 3.59Å; E383-F386 PolarHBondContact O-N 2.91Å; F386-T388 PolarHBondContact O-N 3.41Å; F386-A389 HydrophobicContact CD1-CB 4.29Å; F386-A389 CarbonylContact O-C 3.6Å; F386-A389 WeakPolarHBondContact O-CA 3.39Å; F386-A389 WeakPolarHBondContact O-CB 3.45Å; F386-A389 PolarHBondContact O-N 2.85Å; F386-E390 PolarHBondContact O-N 3.49Å
387E66.6Low66.7Low127 Ų12798.2 Ų98.259%0.59349%0.489SS*.Hα-helixtrans-50.5-43.3169.6-83.3-172.1118.500111.8E383 A389 E390 A391E383-E387 WeakPolarHBondContact O-CG 3.39Å; E383-E387 PolarHBondContact O-N 3.48Å; E387-A389 VanDerWaalsContact C-N 3.29Å; E387-A389 PolarHBondContact O-N 3.1Å; E387-E390 PolarHBondContact O-N 3.33Å; E387-A391 WeakPolarHBondContact O-CB 3.44Å; E387-A391 PolarHBondContact O-N 3.5Å
388T61.6Low67.6Low79 Ų7997.9 Ų97.949%0.48549%0.488SS..Hα-helixtrans-64.7-35.6177.2-39.40000111.7F386 Y392F386-T388 PolarHBondContact O-N 3.41Å; T388-Y392 HydrophobicContact CG2-CD2 4.46Å; T388-Y392 HydrophobicContact CG2-CE2 4.45Å; T388-Y392 WeakPolarHBondContact O-CD2 3.33Å; T388-Y392 PolarHBondContact O-N 2.9Å
389A60.4Low68.3Low48 Ų4898.1 Ų98.140%0.39748%0.479SS..Hα-helixtrans-72.8-32.6175.600000112F386 E387 Y392 R393F386-A389 HydrophobicContact CD1-CB 4.29Å; F386-A389 CarbonylContact O-C 3.6Å; F386-A389 WeakPolarHBondContact O-CA 3.39Å; F386-A389 WeakPolarHBondContact O-CB 3.45Å; F386-A389 PolarHBondContact O-N 2.85Å; E387-A389 VanDerWaalsContact C-N 3.29Å; E387-A389 PolarHBondContact O-N 3.1Å; A389-Y392 PolarHBondContact O-N 3.38Å; A389-R393 WeakPolarHBondContact O-CB 3.35Å; A389-R393 PolarHBondContact O-N 2.74Å
390E65.5Low68.8Low117 Ų11796.2 Ų96.255%0.54748%0.479SS..Hα-helixtrans-73-36.2172.8-64.8-155.615500112.3F386 E387 R393 Q394F386-E390 PolarHBondContact O-N 3.49Å; E387-E390 PolarHBondContact O-N 3.33Å; E390-R393 CarbonylContact O-C 3.53Å; E390-R393 WeakPolarHBondContact O-CA 3.31Å; E390-R393 WeakPolarHBondContact O-CB 3.42Å; E390-R393 PolarHBondContact O-N 2.88Å; E390-R393 VanDerWaalsContact O-N 3.13Å; E390-Q394 WeakPolarHBondContact O-CG 3.39Å; E390-Q394 PolarHBondContact O-N 2.88Å
391A66.2Low69.6Low51 Ų51101.2 Ų101.242%0.42150%0.499SS..Hα-helixtrans-61-43.8169.400000111.2E387 R393 Q394 T395E387-A391 WeakPolarHBondContact O-CB 3.44Å; E387-A391 PolarHBondContact O-N 3.5Å; A391-R393 VanDerWaalsContact C-N 3.34Å; A391-R393 PolarHBondContact O-N 3.37Å; A391-Q394 WeakPolarHBondContact O-CB 3.11Å; A391-Q394 PolarHBondContact O-N 3.21Å; A391-T395 PolarHBondContact O-N 3.19Å
392Y61.5Low70.1Confident136 Ų136103.4 Ų103.453%0.53351%0.513SS..Hα-helixtrans-64-38170.9-87.8-65.8000112.5T388 A389 Q394 T395 T396T388-Y392 HydrophobicContact CG2-CD2 4.46Å; T388-Y392 HydrophobicContact CG2-CE2 4.45Å; T388-Y392 WeakPolarHBondContact O-CD2 3.33Å; T388-Y392 PolarHBondContact O-N 2.9Å; A389-Y392 PolarHBondContact O-N 3.38Å; Y392-Q394 VanDerWaalsContact C-N 3.33Å; Y392-Q394 PolarHBondContact O-N 3.22Å; Y392-T395 WeakPolarHBondContact CA-OG1 3.2Å; Y392-T395 PolarHBondContact O-N 3.4Å; Y392-T395 VanDerWaalsContact O-N 3.1Å; Y392-T395 PolarHBondContact O-OG1 3.4Å; Y392-T396 PolarHBondContact O-N 3.21Å; Y392-T396 PolarHBondContact O-OG1 3.16Å
393R66.5Low70.4Confident167 Ų16798.1 Ų98.163%0.6350%0.502SS*.Hα-helixtrans-60-43.3173.7-156.2173.4-163.21502.9111.4A389 E390 A391 T395 T396 D397A389-R393 WeakPolarHBondContact O-CB 3.35Å; A389-R393 PolarHBondContact O-N 2.74Å; E390-R393 CarbonylContact O-C 3.53Å; E390-R393 WeakPolarHBondContact O-CA 3.31Å; E390-R393 WeakPolarHBondContact O-CB 3.42Å; E390-R393 PolarHBondContact O-N 2.88Å; E390-R393 VanDerWaalsContact O-N 3.13Å; A391-R393 VanDerWaalsContact C-N 3.34Å; A391-R393 PolarHBondContact O-N 3.37Å; R393-T395 PolarHBondContact O-N 3.1Å; R393-T396 WeakPolarHBondContact CA-OG1 3.05Å; R393-T396 PolarHBondContact O-N 3.05Å; R393-T396 PolarHBondContact O-OG1 2.86Å; R393-D397 VanDerWaalsContact O-CB 3.3Å; R393-D397 WeakPolarHBondContact O-CB 3.13Å; R393-D397 VanDerWaalsContact O-CG 3.29Å; R393-D397 PolarHBondContact O-N 3.35Å
394Q72.7Confident70.8Confident139 Ų13995.5 Ų95.565%0.6549%0.493SS*.Hα-helixtrans-60.2-42.4171.4-71-178.820.400111.5E390 A391 Y392 T396 D397 L398E390-Q394 WeakPolarHBondContact O-CG 3.39Å; E390-Q394 PolarHBondContact O-N 2.88Å; A391-Q394 WeakPolarHBondContact O-CB 3.11Å; A391-Q394 PolarHBondContact O-N 3.21Å; Y392-Q394 VanDerWaalsContact C-N 3.33Å; Y392-Q394 PolarHBondContact O-N 3.22Å; Q394-T396 PolarHBondContact O-N 3.18Å; Q394-D397 PolarHBondContact O-N 3.36Å; Q394-L398 WeakPolarHBondContact O-CB 3.45Å; Q394-L398 PolarHBondContact O-N 3.04Å
395T72.2Confident71Confident78 Ų7893 Ų9348%0.47949%0.492SS..Hα-helixtrans-65.7-36.9175.364.30000113.3A391 Y392 R393 L398 L399A391-T395 PolarHBondContact O-N 3.19Å; Y392-T395 WeakPolarHBondContact CA-OG1 3.2Å; Y392-T395 PolarHBondContact O-N 3.4Å; Y392-T395 VanDerWaalsContact O-N 3.1Å; Y392-T395 PolarHBondContact O-OG1 3.4Å; R393-T395 PolarHBondContact O-N 3.1Å; T395-L398 PolarHBondContact O-N 3.06Å; T395-L399 WeakPolarHBondContact O-CB 3.31Å; T395-L399 PolarHBondContact O-N 3.47Å
396T73.8Confident71.2Confident85 Ų8598.3 Ų98.352%0.52152%0.519SS..Hα-helixtrans-73.9-33.7175.548.80000112.3Y392 R393 Q394 A400Y392-T396 PolarHBondContact O-N 3.21Å; Y392-T396 PolarHBondContact O-OG1 3.16Å; R393-T396 WeakPolarHBondContact CA-OG1 3.05Å; R393-T396 PolarHBondContact O-N 3.05Å; R393-T396 PolarHBondContact O-OG1 2.86Å; Q394-T396 PolarHBondContact O-N 3.18Å; T396-A400 WeakPolarHBondContact O-CB 3.36Å; T396-A400 PolarHBondContact O-N 2.85Å
397D76.7Confident71.3Confident81 Ų8197 Ų9743%0.43353%0.528SS..Hα-helixtrans-73.7-29173.5-73.8-16.1000111.5R393 Q394 K401R393-D397 VanDerWaalsContact O-CB 3.3Å; R393-D397 WeakPolarHBondContact O-CB 3.13Å; R393-D397 VanDerWaalsContact O-CG 3.29Å; R393-D397 PolarHBondContact O-N 3.35Å; Q394-D397 PolarHBondContact O-N 3.36Å; D397-K401 WeakPolarHBondContact O-CB 3.48Å; D397-K401 WeakPolarHBondContact O-CD 3.29Å; D397-K401 WeakPolarHBondContact O-CG 3.49Å; D397-K401 PolarHBondContact O-N 2.94Å
398L76.9Confident71Confident113 Ų11396 Ų9659%0.59253%0.53SS*.Hα-helixtrans-74.5-42.1172.4-161.4161000109.9Q394 T395 K401 V402Q394-L398 WeakPolarHBondContact O-CB 3.45Å; Q394-L398 PolarHBondContact O-N 3.04Å; T395-L398 PolarHBondContact O-N 3.06Å; L398-K401 CarbonylContact O-C 3.57Å; L398-K401 PolarHBondContact O-N 3.48Å; L398-V402 HydrophobicContact CD2-CG2 3.99Å; L398-V402 WeakPolarHBondContact O-CB 3.43Å; L398-V402 WeakPolarHBondContact O-CG2 3.23Å; L398-V402 PolarHBondContact O-N 3.07Å
399L77.8Confident70.6Confident117 Ų11797 Ų9761%0.61354%0.536SS*.Hα-helixtrans-66.3-37.4172.5-166.2144.7000111.5T395 V402 V403T395-L399 WeakPolarHBondContact O-CB 3.31Å; T395-L399 PolarHBondContact O-N 3.47Å; L399-V402 PolarHBondContact O-N 3.39Å; L399-V403 HydrophobicContact CD2-CG2 4.07Å; L399-V403 WeakPolarHBondContact O-CB 3.43Å; L399-V403 WeakPolarHBondContact O-CG2 3.42Å; L399-V403 PolarHBondContact O-N 3.38Å
400A77.1Confident70Confident42 Ų42103.5 Ų103.535%0.34756%0.556SS.*Hα-helixtrans-68.8-34.317100000112.2T396 N404T396-A400 WeakPolarHBondContact O-CB 3.36Å; T396-A400 PolarHBondContact O-N 2.85Å; A400-N404 WeakPolarHBondContact O-CB 3.49Å; A400-N404 VanDerWaalsContact O-CG 3.28Å; A400-N404 PolarHBondContact O-N 2.86Å
401K79.1Confident69.3Low150 Ų150102.6 Ų102.665%0.65256%0.56SS**Hα-helixtrans-69.3-29.8169.6-80.5166.1-178.4171.50112.5D397 L398 A405D397-K401 WeakPolarHBondContact O-CB 3.48Å; D397-K401 WeakPolarHBondContact O-CD 3.29Å; D397-K401 WeakPolarHBondContact O-CG 3.49Å; D397-K401 PolarHBondContact O-N 2.94Å; L398-K401 CarbonylContact O-C 3.57Å; L398-K401 PolarHBondContact O-N 3.48Å; K401-A405 WeakPolarHBondContact O-CA 3.16Å; K401-A405 WeakPolarHBondContact O-CB 3.43Å; K401-A405 PolarHBondContact O-N 3.06Å
402V77.8Confident68.6Low71 Ų71105.8 Ų105.843%0.4358%0.577SS.*Hα-helixtrans-77.3-41.6174.2166.30000111L398 L399 A405 L406L398-V402 HydrophobicContact CD2-CG2 3.99Å; L398-V402 WeakPolarHBondContact O-CB 3.43Å; L398-V402 WeakPolarHBondContact O-CG2 3.23Å; L398-V402 PolarHBondContact O-N 3.07Å; L399-V402 PolarHBondContact O-N 3.39Å; V402-A405 PolarHBondContact O-N 3.28Å; V402-L406 HydrophobicContact CG1-CD1 4.03Å; V402-L406 WeakPolarHBondContact O-CB 3.27Å; V402-L406 VanDerWaalsContact O-CG 3.32Å; V402-L406 WeakPolarHBondContact O-CG 3.26Å; V402-L406 PolarHBondContact O-N 2.9Å
403V77.2Confident67.9Low80 Ų80105.2 Ų105.249%0.48559%0.589SS.*Hα-helixtrans-64.5-43.3172169.20000110.6L399 L406 A407L399-V403 HydrophobicContact CD2-CG2 4.07Å; L399-V403 WeakPolarHBondContact O-CB 3.43Å; L399-V403 WeakPolarHBondContact O-CG2 3.42Å; L399-V403 PolarHBondContact O-N 3.38Å; V403-L406 PolarHBondContact O-N 3.25Å; V403-A407 VanDerWaalsContact O-CB 3.32Å; V403-A407 WeakPolarHBondContact O-CB 3.24Å; V403-A407 PolarHBondContact O-N 3.35Å
404N78.7Confident66.5Low102 Ų102101.4 Ų101.455%0.54559%0.593SS.*Hα-helixtrans-65.2-42.9171.6-78.9-2.9000111.2A400 L406 A407 T408A400-N404 WeakPolarHBondContact O-CB 3.49Å; A400-N404 VanDerWaalsContact O-CG 3.28Å; A400-N404 PolarHBondContact O-N 2.86Å; N404-L406 VanDerWaalsContact C-N 3.29Å; N404-L406 PolarHBondContact O-N 3.03Å; N404-A407 CarbonylContact O-C 3.49Å; N404-A407 PolarHBondContact O-N 3.4Å; N404-A407 VanDerWaalsContact O-N 3.15Å; N404-T408 WeakPolarHBondContact O-CB 3.39Å; N404-T408 WeakPolarHBondContact O-CG2 3.46Å; N404-T408 PolarHBondContact O-N 3.37Å; N404-T408 PolarHBondContact O-OG1 2.78Å
405A74.8Confident64.9Low53 Ų53103.9 Ų103.944%0.43861%0.605SS.*Hα-helixtrans-60.7-39.117700000111.9K401 V402 T408 V409K401-A405 WeakPolarHBondContact O-CA 3.16Å; K401-A405 WeakPolarHBondContact O-CB 3.43Å; K401-A405 PolarHBondContact O-N 3.06Å; V402-A405 PolarHBondContact O-N 3.28Å; A405-T408 WeakPolarHBondContact CA-OG1 3.35Å; A405-T408 CarbonylContact O-C 3.54Å; A405-T408 VanDerWaalsContact O-C 3.3Å; A405-T408 PolarHBondContact O-N 3.07Å; A405-T408 PolarHBondContact O-OG1 3.29Å; A405-V409 WeakPolarHBondContact O-CG2 3.46Å; A405-V409 PolarHBondContact O-N 2.91Å
406L69.1Low63.2Low121 Ų121107.7 Ų107.763%0.63462%0.617SS**Hα-helixtrans-66.8-41.3173-77.3163.2000112.2V402 V403 N404 T408 V409V402-L406 HydrophobicContact CG1-CD1 4.03Å; V402-L406 WeakPolarHBondContact O-CB 3.27Å; V402-L406 VanDerWaalsContact O-CG 3.32Å; V402-L406 WeakPolarHBondContact O-CG 3.26Å; V402-L406 PolarHBondContact O-N 2.9Å; V403-L406 PolarHBondContact O-N 3.25Å; N404-L406 VanDerWaalsContact C-N 3.29Å; N404-L406 PolarHBondContact O-N 3.03Å; L406-T408 VanDerWaalsContact C-N 3.34Å; L406-V409 WeakPolarHBondContact O-CB 3.46Å; L406-V409 PolarHBondContact O-N 3.39Å
407A64.7Low61.4Low80 Ų80111.7 Ų111.766%0.66163%0.63SS**Hα-helixtrans-73.3-24.8175.400000113.3V403 N404V403-A407 VanDerWaalsContact O-CB 3.32Å; V403-A407 WeakPolarHBondContact O-CB 3.24Å; V403-A407 PolarHBondContact O-N 3.35Å; N404-A407 CarbonylContact O-C 3.49Å; N404-A407 PolarHBondContact O-N 3.4Å; N404-A407 VanDerWaalsContact O-N 3.15Å
408T61.8Low59.5Low105 Ų105115 Ų11564%0.64465%0.648SS**THydrogen-bonded Turntrans-97.816.4171.168.70000112.2N404 A405 L406 K410N404-T408 WeakPolarHBondContact O-CB 3.39Å; N404-T408 WeakPolarHBondContact O-CG2 3.46Å; N404-T408 PolarHBondContact O-N 3.37Å; N404-T408 PolarHBondContact O-OG1 2.78Å; A405-T408 WeakPolarHBondContact CA-OG1 3.35Å; A405-T408 CarbonylContact O-C 3.54Å; A405-T408 VanDerWaalsContact O-C 3.3Å; A405-T408 PolarHBondContact O-N 3.07Å; A405-T408 PolarHBondContact O-OG1 3.29Å; L406-T408 VanDerWaalsContact C-N 3.34Å; T408-K410 PolarHBondContact O-N 3.05Å
409V51.6Low57.4Low100 Ų100115.1 Ų115.161%0.60667%0.665SS**  trans-66.882.3152178.30000105.2A405 L406 P411A405-V409 WeakPolarHBondContact O-CG2 3.46Å; A405-V409 PolarHBondContact O-N 2.91Å; L406-V409 WeakPolarHBondContact O-CB 3.46Å; L406-V409 PolarHBondContact O-N 3.39Å; V409-P411 VanDerWaalsContact O-N 3.14Å
410K48.9Very low55.7Low185 Ų185113.3 Ų113.380%0.80467%0.667SS**PPolyproline II helixtrans-54.4121.1176.4-172.3177.4-177.31800106.1T408T408-K410 PolarHBondContact O-N 3.05Å
411P51.3Low54.4Low99 Ų99119.1 Ų119.164%0.64369%0.691SS**PPolyproline II helixtrans-56.3148.3178.124-33.4000108.7V409V409-P411 VanDerWaalsContact O-N 3.14Å
412P50.7Low52.8Low118 Ų118123.3 Ų123.377%0.76671%0.705SS**PPolyproline II helixtrans-52.1135.9175.823.3-33.2000109A414P412-A414 PolarHBondContact O-N 2.87Å
413P46.4Very low51.1Low124 Ų124123.7 Ų123.781%0.80572%0.724SS**PPolyproline II helixtrans-57.6137.6178.725.8-33.8000109E415P413-E415 PolarHBondContact O-N 2.91Å
414A37.8Very low49.3Very low86 Ų86122.1 Ų122.171%0.71172%0.724SS**PPolyproline II helixtrans-64126.8-167.200000112.3P412P412-A414 PolarHBondContact O-N 2.87Å
415E37.5Very low47.7Very low192 Ų192127.3 Ų127.390%0.89774%0.737SS**PPolyproline II helixtrans-72.4134.2141.9-66.6179.5156.900106.6P413P413-E415 PolarHBondContact O-N 2.91Å
416Q37.6Very low46.7Very low158 Ų158132.2 Ų132.274%0.73875%0.75SS**PPolyproline II helixtrans-88.4154.4-174.8-67.2166.8-116.100110.3
417E35.9Very low46.2Very low169 Ų169129.7 Ų129.779%0.7975%0.754SS**  trans65.7126.5179.9-62.7130.9-133.600113.7
418D36.7Very low45.8Very low149 Ų149131.7 Ų131.780%0.79775%0.748SS**  cis-133.2144.910.8-84.1-48.8000113.3A420D418-A420 VanDerWaalsContact C-N 3.3Å; D418-A420 HydrophobicContact CB-CB 4.46Å; D418-A420 PolarHBondContact O-N 3.38Å
419A32.9Very low46.2Very low117 Ų117129.2 Ų129.297%0.96774%0.735SS**  trans-83.459.3-179.400000113.2
420A42Very low46.9Very low79 Ų79130.7 Ų130.765%0.65374%0.739SS**  trans-141.135.2-16300000117.7D418D418-A420 VanDerWaalsContact C-N 3.3Å; D418-A420 HydrophobicContact CB-CB 4.46Å; D418-A420 PolarHBondContact O-N 3.38Å
421L49.8Very low47.9Very low163 Ų163126 Ų12685%0.85373%0.73SS**SBendtrans-144.415.7177.1-142.870.9000119.4
422Y45.4Very low48.9Very low238 Ų238126.2 Ų126.293%0.93372%0.722SS**  trans-130.662.6167-98.9-86.7000111.7G424Y422-G424 PolarHBondContact O-N 2.9Å
423G41.5Very low49.7Very low80 Ų80124 Ų12483%0.82570%0.704SS**  trans-71.991.5172.400000111.5Y425G423-Y425 PolarHBondContact O-N 3.09Å
424G40Very low50.8Low47 Ų47123.9 Ų123.949%0.48570%0.695SS.*  trans-59.3122169.700000110.5Y422 H426 G427Y422-G424 PolarHBondContact O-N 2.9Å; G424-H426 PolarHBondContact O-N 2.94Å; G424-G427 PolarHBondContact O-N 2.92Å
425Y45.3Very low52.1Low210 Ų210122.9 Ų122.982%0.82469%0.687SS**THydrogen-bonded Turntrans-60.1125.8174.3-133.6-99000108.3G423G423-Y425 PolarHBondContact O-N 3.09Å
426H53.5Low53.4Low156 Ų156117.8 Ų117.872%0.72267%0.673SS**THydrogen-bonded Turntrans79.95.5-168.9-49.2-72.5000118.2G424 F428G424-H426 PolarHBondContact O-N 2.94Å; H426-F428 HydrophobicContact CB-CD2 4.46Å; H426-F428 WeakPolarHBondContact O-CD2 3.4Å; H426-F428 PolarHBondContact O-N 2.99Å
427G58Low54.5Low69 Ų69117.5 Ų117.571%0.71167%0.671SS**SBendtrans68.47.6160.700000117G424G424-G427 PolarHBondContact O-N 2.92Å
428F58.2Low55.1Low122 Ų122120.2 Ų120.254%0.53567%0.674SS.*  trans-95.6144.7168-62.8-72000109.5H426 Q432 I433H426-F428 HydrophobicContact CB-CD2 4.46Å; H426-F428 WeakPolarHBondContact O-CD2 3.4Å; H426-F428 PolarHBondContact O-N 2.99Å; F428-Q432 HydrophobicContact CB-CB 4.08Å; F428-Q432 HydrophobicContact CD1-CB 4.31Å; F428-I433 HydrophobicContact CB-CD1 4.41Å; F428-I433 HydrophobicContact CB-CG1 3.82Å
429S69.9Low55.4Low52 Ų52117.2 Ų117.236%0.36467%0.665SS.*  trans-69.4154.7167.463.70000110.7S431 Q432 I433S429-S431 PolarHBondContact O-N 2.84Å; S429-S431 VanDerWaalsContact O-N 3.09Å; S429-S431 PolarHBondContact OG-OG 2.95Å; S429-Q432 VanDerWaalsContact N-OE1 3.11Å; S429-Q432 WeakPolarHBondContact O-CA 3.42Å; S429-Q432 WeakPolarHBondContact O-CB 3.41Å; S429-Q432 PolarHBondContact O-N 3.18Å; S429-Q432 WeakPolarHBondContact OG-CG 3.23Å; S429-Q432 PolarHBondContact OG-N 2.95Å; S429-I433 PolarHBondContact O-N 3.24Å
430D65.5Low55.3Low131 Ų131121.2 Ų121.270%0.70166%0.661SS**Hα-helixtrans-53.5-34.1174.1-67.9-15.4000112I433 L434D430-I433 PolarHBondContact O-N 3.07Å; D430-L434 WeakPolarHBondContact O-CB 3.36Å; D430-L434 VanDerWaalsContact O-CG 3.28Å; D430-L434 WeakPolarHBondContact O-CG 3.25Å; D430-L434 PolarHBondContact O-N 3.25Å
431S69.8Low55Low87 Ų87123.6 Ų123.661%0.60867%0.673SS**Hα-helixtrans-66.4-31.5173.650.20000114.3S429 A435S429-S431 PolarHBondContact O-N 2.84Å; S429-S431 VanDerWaalsContact O-N 3.09Å; S429-S431 PolarHBondContact OG-OG 2.95Å; S431-A435 WeakPolarHBondContact O-CB 3.22Å; S431-A435 PolarHBondContact O-N 3.28Å
432Q72.8Confident54.4Low103 Ų103121.8 Ų121.848%0.48167%0.669SS.*Hα-helixtrans-77-38.4171.6-76.4175.5-47.500111.9F428 S429 A435 S436F428-Q432 HydrophobicContact CB-CB 4.08Å; F428-Q432 HydrophobicContact CD1-CB 4.31Å; S429-Q432 VanDerWaalsContact N-OE1 3.11Å; S429-Q432 WeakPolarHBondContact O-CA 3.42Å; S429-Q432 WeakPolarHBondContact O-CB 3.41Å; S429-Q432 PolarHBondContact O-N 3.18Å; S429-Q432 WeakPolarHBondContact OG-CG 3.23Å; S429-Q432 PolarHBondContact OG-N 2.95Å; Q432-A435 PolarHBondContact O-N 2.84Å; Q432-S436 PolarHBondContact O-N 3.46Å; Q432-S436 VanDerWaalsContact O-N 3.09Å
433I68.1Low54.1Low73 Ų73115.7 Ų115.737%0.37466%0.656SS.*Hα-helixtrans-60.8-50.7176-62.7173.2000109.4F428 S429 D430 A435 S436F428-I433 HydrophobicContact CB-CD1 4.41Å; F428-I433 HydrophobicContact CB-CG1 3.82Å; S429-I433 PolarHBondContact O-N 3.24Å; D430-I433 PolarHBondContact O-N 3.07Å; I433-A435 VanDerWaalsContact C-N 3.31Å; I433-A435 PolarHBondContact O-N 3.23Å; I433-S436 WeakPolarHBondContact O-CB 3.44Å; I433-S436 PolarHBondContact O-N 3.49Å; I433-S436 VanDerWaalsContact O-N 3.07Å; I433-S436 PolarHBondContact O-OG 2.79Å
434L68.4Low54Low121 Ų121119.8 Ų119.863%0.63466%0.659SS**Hα-helixtrans-62.4-33.9176.8-70.8169.3000113.3D430 S436D430-L434 WeakPolarHBondContact O-CB 3.36Å; D430-L434 VanDerWaalsContact O-CG 3.28Å; D430-L434 WeakPolarHBondContact O-CG 3.25Å; D430-L434 PolarHBondContact O-N 3.25Å; L434-S436 VanDerWaalsContact C-N 3.3Å; L434-S436 PolarHBondContact O-N 3.27Å
435A65.9Low53.9Low64 Ų64124.4 Ų124.453%0.52967%0.668SS.*Hα-helixtrans-67.1-30.3174.300000112.9S431 Q432 I433 E437S431-A435 WeakPolarHBondContact O-CB 3.22Å; S431-A435 PolarHBondContact O-N 3.28Å; Q432-A435 PolarHBondContact O-N 2.84Å; I433-A435 VanDerWaalsContact C-N 3.31Å; I433-A435 PolarHBondContact O-N 3.23Å; A435-E437 PolarHBondContact O-N 2.9Å
436S65Low53.6Low86 Ų86123.1 Ų123.160%0.60167%0.667SS**Hα-helixtrans-70.4-25.6-175.3760000114.4Q432 I433 L434 W438Q432-S436 PolarHBondContact O-N 3.46Å; Q432-S436 VanDerWaalsContact O-N 3.09Å; I433-S436 WeakPolarHBondContact O-CB 3.44Å; I433-S436 PolarHBondContact O-N 3.49Å; I433-S436 VanDerWaalsContact O-N 3.07Å; I433-S436 PolarHBondContact O-OG 2.79Å; L434-S436 VanDerWaalsContact C-N 3.3Å; L434-S436 PolarHBondContact O-N 3.27Å; S436-W438 VanDerWaalsContact C-N 3.34Å; S436-W438 PolarHBondContact O-N 3.3Å
437E59Low52.9Low151 Ų151121.1 Ų121.171%0.70667%0.666SS**THydrogen-bonded Turntrans-81.6-8.2-177.4-62.7-165.5153.300114.1A435A435-E437 PolarHBondContact O-N 2.9Å
438W49.9Very low52.1Low226 Ų226123.1 Ų123.186%0.85667%0.669SS**THydrogen-bonded Turntrans-120.227.5-164.9-79.675.8000116.2S436S436-W438 VanDerWaalsContact C-N 3.34Å; S436-W438 PolarHBondContact O-N 3.3Å
439S42.5Very low51.1Low86 Ų86122.4 Ų122.460%0.60168%0.677SS**  trans-145.2102.1175.565.60000116.3
440F31.6Very low49.5Very low201 Ų201131.5 Ų131.588%0.88270%0.703SS**  trans-17193.1145.9-104.8-62.8000112.2
441S35.4Very low48Very low129 Ų129137 Ų13790%0.90271%0.714SS**SBendtrans-168.725.2162.6-86.40000115.1
442T36.5Very low46.4Very low126 Ų126139 Ų13977%0.77373%0.725SS**  trans-145160.9158.159.80000106.4
443V39.3Very low44.6Very low110 Ų110145.5 Ų145.567%0.66775%0.745SS**  cis-135.3145.410.9-177.30000108.6
444N39.3Very low43.3Very low165 Ų165146.8 Ų146.888%0.88277%0.767SS**  trans-159.6129.6138.4-1307.7000110.5
445E37.6Very low41.8Very low145 Ų145152.6 Ų152.668%0.67878%0.78SS**  trans-80.6153.4178.6-68.6157.199.500110.1
446F39.5Very low40.4Very low182 Ų182154.2 Ų154.280%0.79879%0.794SS**  -173.216281.3-104.1-86.3000112.9
447T37.9Very low39.1Very low115 Ų115156.2 Ų156.271%0.70681%0.806SS**  trans55.785.2157.556.50000121.8
448S41.6Very low38.2Very low111 Ų111153.7 Ų153.778%0.77681%0.805SS**  73.4165.6122.180.80000121.5
449P38.2Very low37.8Very low107 Ų107150.1 Ų150.170%0.69580%0.803SS**  -136.4148.2-6138.3-23000116.6
450R35Very low37.4Very low242 Ų242154.5 Ų154.591%0.91381%0.811SS**  trans51.4123.8143.2-66.8177.7169.5156.3-1.9121.7
451R34.2Very low37.6Very low246 Ų246153 Ų15393%0.92881%0.812SS**  -127.5143.5123.5-79.7-165.4174.6-155.9-2.3110.1
452P36.3Very low37.5Very low129 Ų129153.1 Ų153.184%0.83880%0.803SS**PPolyproline II helixtrans-89162.5-167.135-36.8000114.6
453R34.2Very low37.4Very low241 Ų241156.5 Ų156.591%0.90981%0.809SS**PPolyproline II helixtrans-94.8123.3169.1-169.9-178.7-163.9161.53.1108.4
454A41.5Very low37.4Very low100 Ų100155.3 Ų155.383%0.82681%0.811SS**PPolyproline II helixtrans-65.8137.4178.400000111.3
455R37.4Very low37.5Very low242 Ų242152.7 Ų152.791%0.91380%0.803SS**PPolyproline II helixtrans-88.2165.3165.2-72.4179173.9152.7-4.2109.3
456A37.2Very low37.4Very low99 Ų99157.8 Ų157.882%0.81882%0.816SS**PPolyproline II helixtrans-74.9145.7166.300000110.3
457C37.9Very low37.2Very low127 Ų127160.4 Ų160.486%0.85882%0.821SS**  trans-124.8144.6153.2-64.40000107
458S39.7Very low37.1Very low98 Ų98163.6 Ų163.669%0.68583%0.828SS**  trans-75.2160.2158.349.50000109.6
459D40.7Very low36.8Very low152 Ų152163.3 Ų163.381%0.81383%0.826SS**  -178.3161.7105.7-83-11.4000110.4
460F34.5Very low36.7Very low177 Ų177167 Ų16778%0.77683%0.834SS**  trans-87.3148.7-174.7-109.5-121.7000111.9L462F460-L462 HydrophobicContact CD1-CD1 3.5Å; F460-L462 HydrophobicContact CE1-CD1 3.63Å
461N35.1Very low36.7Very low169 Ų169166.7 Ų166.790%0.90483%0.833SS**  trans-152.9138.2139.2-104.6-39.3000110.1
462L33.9Very low36.8Very low133 Ų133161 Ų16170%0.69683%0.827SS**  trans-95141.2175.1-95.270.6000109.8F460F460-L462 HydrophobicContact CD1-CD1 3.5Å; F460-L462 HydrophobicContact CE1-CD1 3.63Å
463E35.3Very low36.8Very low196 Ų196163.2 Ų163.292%0.91683%0.832SS**  trans-149.7149.1144.6-155.677.9-98.500107.3
464A38Very low36.9Very low86 Ų86163 Ų16371%0.71183%0.83SS**  trans-124.6-175.8-162.900000112.8
465P41.4Very low36.8Very low110 Ų110163.7 Ų163.771%0.71483%0.83SS**  -121.8168.3-116.133.2-14.5000115.3
466R36.1Very low36.6Very low251 Ų251157.1 Ų157.195%0.94782%0.821SS**  trans-129.7153.8162.2-72.1-167.2174.5-166.2-1.3112.2
467W36.3Very low36.5Very low238 Ų238159.1 Ų159.190%0.90281%0.813SS**  trans-95.8150.7-160.5-66.258.8000113.3
468Q35.3Very low36.5Very low182 Ų182159.9 Ų159.985%0.8581%0.808SS**  -177.8148.4115.8-99.2172.86.700115.5
469S35.7Very low36.5Very low104 Ų104163.8 Ų163.873%0.72782%0.816SS**  trans46.6103.6155.957.40000122.8
470E35.2Very low36.6Very low184 Ų184164 Ų16486%0.8681%0.805SS**  52.1110.1129.3-55-151.9146.500122.9
471R35.1Very low37.3Very low236 Ų236160.8 Ų160.889%0.89180%0.8SS**  -161.1151.3121.4-106.9167.2-127.8-1400.2110.7L473R471-L473 PolarHBondContact O-N 3.24Å
472P36.8Very low37.9Very low126 Ų126164.7 Ų164.782%0.81880%0.802SS**PPolyproline II helixtrans-71.6126.1-175.427.9-33.7000112
473L35.3Very low38.7Very low177 Ų177162 Ų16293%0.92780%0.795SS**PPolyproline II helixtrans-67.8148.8175.1-82.2162.1000111.7R471R471-L473 PolarHBondContact O-N 3.24Å
474R36.5Very low39.5Very low235 Ų235154.6 Ų154.689%0.88777%0.771SS**PPolyproline II helixtrans-79.3163175.9-72.9-178.7171.8178-2.1111.2
475S39.3Very low40.6Very low116 Ų116156.2 Ų156.281%0.81177%0.768SS**SBendtrans-47.5146.6172-165.70000112.5
476S33.9Very low41.7Very low103 Ų103157 Ų15772%0.7277%0.766SS**PPolyproline II helixtrans-55.4136.8-170.8-168.80000112.9
477H34.5Very low43.3Very low141 Ų141152.7 Ų152.765%0.65376%0.757SS**  trans-10377.1176.3-136.7-73.5000108W480H477-W480 AromaticContact CE1-NE1 3.73Å
478N38.2Very low45Very low144 Ų144148.2 Ų148.277%0.7775%0.746SS**  trans-155.155.5179.7-109.5-6.4000114
479E39.1Very low46.5Very low180 Ų180143 Ų14384%0.84172%0.723SS**  trans-159.492.2163.1-114.8166.2-132.200108.8
480W43.8Very low48.2Very low156 Ų156144.4 Ų144.459%0.59172%0.718SS**  trans-131.757.6-179.6-90.977.4000111.4H477H477-W480 AromaticContact CE1-NE1 3.73Å
481T48.6Very low50Low109 Ų109141.5 Ų141.567%0.66970%0.704SS**  trans-75.1132164.6480000109.5S483T481-S483 PolarHBondContact O-N 2.98Å
482W48.1Very low51.7Low251 Ų251131.9 Ų131.995%0.95168%0.676SS**THydrogen-bonded Turntrans-76.634.8-173.5-77.664.1000113.7
483S51.2Low53.4Low78 Ų78133 Ų13355%0.54567%0.668SS.*THydrogen-bonded Turntrans-141.317-173.761.10000113.9T481T481-S483 PolarHBondContact O-N 2.98Å
484G50.2Low55.4Low40 Ų40128.9 Ų128.941%0.41265%0.647SS.*SBendtrans-82.1164.917200000113.1
485D61.4Low57.3Low119 Ų119124 Ų12464%0.63663%0.634SS**  trans-56.1134-170.3-108.3-47.9000114.9Q487 Q488 I489D485-Q487 PolarHBondContact O-N 3.29Å; D485-Q487 VanDerWaalsContact O-N 3.08Å; D485-Q488 PolarHBondContact O-N 2.88Å; D485-I489 PolarHBondContact O-N 3.15Å; D485-I489 VanDerWaalsContact O-N 3.14Å
486N66Low58.8Low128 Ų128125.7 Ų125.768%0.68462%0.623SS**Hα-helixtrans-54.8-32177.3-78.2-49.3000112.7Q490N486-Q490 VanDerWaalsContact O-CB 3.32Å; N486-Q490 WeakPolarHBondContact O-CB 3.34Å; N486-Q490 PolarHBondContact O-N 3.17Å
487Q69.8Low60.4Low159 Ų159127.8 Ų127.874%0.74362%0.616SS**Hα-helixtrans-65.4-46.4176.3-66.9-170.60.600112D485 I489 Q490 E491D485-Q487 PolarHBondContact O-N 3.29Å; D485-Q487 VanDerWaalsContact O-N 3.08Å; Q487-I489 VanDerWaalsContact C-N 3.35Å; Q487-I489 PolarHBondContact O-N 3.37Å; Q487-Q490 PolarHBondContact O-N 2.68Å; Q487-E491 WeakPolarHBondContact O-CG 3.32Å; Q487-E491 PolarHBondContact O-N 3.04Å
488Q71.4Confident62.2Low145 Ų145128.1 Ų128.168%0.67862%0.615SS**Hα-helixtrans-63.9-40.1176.6-71.3-169.8-1.500111.7D485 Q490 E491 A492D485-Q488 PolarHBondContact O-N 2.88Å; Q488-Q490 VanDerWaalsContact C-N 3.33Å; Q488-Q490 PolarHBondContact O-N 3.14Å; Q488-E491 PolarHBondContact O-N 3.48Å; Q488-A492 VanDerWaalsContact O-CB 3.28Å; Q488-A492 WeakPolarHBondContact O-CB 3.44Å; Q488-A492 PolarHBondContact O-N 3.15Å
489I66.6Low63.5Low72 Ų72123.2 Ų123.237%0.36960%0.599SS.*Hα-helixtrans-61.1-43.8175.8-62.2173.6000110.5D485 Q487 A492 F493D485-I489 PolarHBondContact O-N 3.15Å; D485-I489 VanDerWaalsContact O-N 3.14Å; Q487-I489 VanDerWaalsContact C-N 3.35Å; Q487-I489 PolarHBondContact O-N 3.37Å; I489-A492 PolarHBondContact O-N 3.03Å; I489-F493 HydrophobicContact CG2-CD2 4.34Å; I489-F493 PolarHBondContact O-N 3.23Å
490Q70.1Confident64.6Low133 Ų133120.1 Ų120.162%0.62159%0.585SS**Hα-helixtrans-74.9-33-178.6-164155.311.800112.9N486 Q487 Q488 F493 N494N486-Q490 VanDerWaalsContact O-CB 3.32Å; N486-Q490 WeakPolarHBondContact O-CB 3.34Å; N486-Q490 PolarHBondContact O-N 3.17Å; Q487-Q490 PolarHBondContact O-N 2.68Å; Q488-Q490 VanDerWaalsContact C-N 3.33Å; Q488-Q490 PolarHBondContact O-N 3.14Å; Q490-F493 PolarHBondContact O-N 2.91Å; Q490-N494 WeakPolarHBondContact O-CB 3.5Å; Q490-N494 PolarHBondContact O-N 3.34Å; Q490-N494 PolarHBondContact O-ND2 3.03Å; Q490-N494 VanDerWaalsContact O-ND2 3.15Å
491E74Confident65.1Low123 Ų123118.5 Ų118.558%0.57558%0.583SS**Hα-helixtrans-64.4-44.5167.5-74.1-156.1159.500112Q487 Q488 F493 N494 Q495Q487-E491 WeakPolarHBondContact O-CG 3.32Å; Q487-E491 PolarHBondContact O-N 3.04Å; Q488-E491 PolarHBondContact O-N 3.48Å; E491-F493 VanDerWaalsContact C-N 3.3Å; E491-F493 PolarHBondContact O-N 3.04Å; E491-N494 CarbonylContact O-C 3.55Å; E491-N494 PolarHBondContact O-N 2.65Å; E491-N494 VanDerWaalsContact O-N 3.12Å; E491-Q495 WeakPolarHBondContact O-CB 3.27Å; E491-Q495 WeakPolarHBondContact O-CG 3.32Å; E491-Q495 PolarHBondContact O-N 2.86Å
492A70.7Confident65.3Low35 Ų35123.7 Ų123.729%0.28959%0.591SS.*Hα-helixtrans-60.8-38.6176.400000112Q488 I489 R496Q488-A492 VanDerWaalsContact O-CB 3.28Å; Q488-A492 WeakPolarHBondContact O-CB 3.44Å; Q488-A492 PolarHBondContact O-N 3.15Å; I489-A492 PolarHBondContact O-N 3.03Å; A492-R496 VanDerWaalsContact O-CB 3.3Å; A492-R496 WeakPolarHBondContact O-CB 3.37Å; A492-R496 PolarHBondContact O-N 3.09Å
493F72.4Confident65.4Low148 Ų148115 Ų11565%0.64957%0.572SS**Hα-helixtrans-62.5-47.5170.6-103.7-82.2000112.3I489 Q490 E491 Q495 R496 Y497I489-F493 HydrophobicContact CG2-CD2 4.34Å; I489-F493 PolarHBondContact O-N 3.23Å; Q490-F493 PolarHBondContact O-N 2.91Å; E491-F493 VanDerWaalsContact C-N 3.3Å; E491-F493 PolarHBondContact O-N 3.04Å; F493-Q495 PolarHBondContact O-N 3.07Å; F493-R496 PolarHBondContact O-N 2.91Å; F493-Y497 WeakPolarHBondContact O-CB 3.13Å; F493-Y497 PolarHBondContact O-N 3.42Å
494N77.9Confident65.3Low91 Ų91117.6 Ų117.649%0.48758%0.58SS.*Hα-helixtrans-62.2-39.8177.9-78.7-37.1000112.5Q490 E491 K498Q490-N494 WeakPolarHBondContact O-CB 3.5Å; Q490-N494 PolarHBondContact O-N 3.34Å; Q490-N494 PolarHBondContact O-ND2 3.03Å; Q490-N494 VanDerWaalsContact O-ND2 3.15Å; E491-N494 CarbonylContact O-C 3.55Å; E491-N494 PolarHBondContact O-N 2.65Å; E491-N494 VanDerWaalsContact O-N 3.12Å; N494-K498 WeakPolarHBondContact O-CB 3.42Å; N494-K498 WeakPolarHBondContact O-CG 3.48Å; N494-K498 PolarHBondContact O-N 2.97Å
495Q76.7Confident65Low133 Ų133118.9 Ų118.962%0.62159%0.594SS**Hα-helixtrans-65.4-43.9173.9-70.1-177.133.600111.4E491 F493 Y497 K498 G499E491-Q495 WeakPolarHBondContact O-CB 3.27Å; E491-Q495 WeakPolarHBondContact O-CG 3.32Å; E491-Q495 PolarHBondContact O-N 2.86Å; F493-Q495 PolarHBondContact O-N 3.07Å; Q495-Y497 VanDerWaalsContact C-N 3.33Å; Q495-Y497 PolarHBondContact O-N 2.89Å; Q495-K498 PolarHBondContact O-N 3.28Å; Q495-G499 PolarHBondContact O-N 3.46Å
496R69.6Low64Low151 Ų151117.3 Ų117.357%0.5760%0.597SS**Hα-helixtrans-63.7-37.3177.8-162.2178.6-65.9-143.13.6111.9A492 F493 G499 Q500A492-R496 VanDerWaalsContact O-CB 3.3Å; A492-R496 WeakPolarHBondContact O-CB 3.37Å; A492-R496 PolarHBondContact O-N 3.09Å; F493-R496 PolarHBondContact O-N 2.91Å; R496-G499 PolarHBondContact O-N 3.5Å; R496-Q500 PolarHBondContact O-N 3.41Å; R496-Q500 VanDerWaalsContact O-N 3.1Å
497Y67.8Low62.7Low148 Ų148114.5 Ų114.558%0.5859%0.591SS**Hα-helixtrans-68.7-45.3175.3-160.9-102.8000112.5F493 Q495 G499 Q500 Q501F493-Y497 WeakPolarHBondContact O-CB 3.13Å; F493-Y497 PolarHBondContact O-N 3.42Å; Q495-Y497 VanDerWaalsContact C-N 3.33Å; Q495-Y497 PolarHBondContact O-N 2.89Å; Y497-G499 VanDerWaalsContact C-N 3.25Å; Y497-G499 PolarHBondContact O-N 2.85Å; Y497-Q500 PolarHBondContact O-N 2.88Å; Y497-Q501 PolarHBondContact O-N 3.1Å; Y497-Q501 VanDerWaalsContact O-N 3.08Å
498K72.3Confident61.1Low147 Ų147114 Ų11464%0.63959%0.594SS**Hα-helixtrans-59.3-35.8171.9-75175.4178.6177.30112.2N494 Q495 Q501 R502N494-K498 WeakPolarHBondContact O-CB 3.42Å; N494-K498 WeakPolarHBondContact O-CG 3.48Å; N494-K498 PolarHBondContact O-N 2.97Å; Q495-K498 PolarHBondContact O-N 3.28Å; K498-Q501 PolarHBondContact O-N 2.9Å; K498-R502 PolarHBondContact O-N 2.71Å; K498-R502 VanDerWaalsContact O-N 3.13Å
499G65.3Low59.3Low41 Ų41112.4 Ų112.442%0.42360%0.599SS.*Hα-helixtrans-62-47.1173.300000113.1Q495 R496 Y497 Q501 R502 A503Q495-G499 PolarHBondContact O-N 3.46Å; R496-G499 PolarHBondContact O-N 3.5Å; Y497-G499 VanDerWaalsContact C-N 3.25Å; Y497-G499 PolarHBondContact O-N 2.85Å; G499-Q501 VanDerWaalsContact C-N 3.35Å; G499-Q501 PolarHBondContact O-N 3.43Å; G499-R502 PolarHBondContact O-N 3.22Å; G499-A503 PolarHBondContact O-N 2.62Å
500Q62.3Low57.6Low116 Ų116114.8 Ų114.854%0.54262%0.617SS.*Hα-helixtrans-65.4-34.9177.4-74.7-174.6-18.400113R496 Y497 A503 N504R496-Q500 PolarHBondContact O-N 3.41Å; R496-Q500 VanDerWaalsContact O-N 3.1Å; Y497-Q500 PolarHBondContact O-N 2.88Å; Q500-A503 PolarHBondContact O-N 2.93Å; Q500-N504 PolarHBondContact O-N 3.01Å
501Q54Low55.9Low121 Ų121117.4 Ų117.457%0.56563%0.632SS**Hα-helixtrans-66.6-40.6174.3-72.1-173.7-23.800112.6Y497 K498 G499 G505Y497-Q501 PolarHBondContact O-N 3.1Å; Y497-Q501 VanDerWaalsContact O-N 3.08Å; K498-Q501 PolarHBondContact O-N 2.9Å; G499-Q501 VanDerWaalsContact C-N 3.35Å; G499-Q501 PolarHBondContact O-N 3.43Å; Q501-G505 PolarHBondContact O-N 3.42Å
502R53.2Low53.9Low219 Ų219117.5 Ų117.583%0.82664%0.64SS**Hα-helixtrans-67.7-36.6174.6-82.9-174166.8179.6-4.6113.1K498 G499 N504 G505K498-R502 PolarHBondContact O-N 2.71Å; K498-R502 VanDerWaalsContact O-N 3.13Å; G499-R502 PolarHBondContact O-N 3.22Å; R502-N504 VanDerWaalsContact C-N 3.35Å; R502-N504 PolarHBondContact O-N 3.12Å; R502-G505 PolarHBondContact O-N 3.49Å
503A51.1Low52.1Low68 Ų68124.4 Ų124.456%0.56267%0.666SS**Hα-helixtrans-64.2-37.3177.500000112.9G499 Q500G499-A503 PolarHBondContact O-N 2.62Å; Q500-A503 PolarHBondContact O-N 2.93Å
504N48.8Very low50.4Low132 Ų132124.5 Ų124.571%0.70667%0.672SS**Hα-helixtrans-81.8-10.4-179.8-70.33.3000114Q500 R502Q500-N504 PolarHBondContact O-N 3.01Å; R502-N504 VanDerWaalsContact C-N 3.35Å; R502-N504 PolarHBondContact O-N 3.12Å
505G43.7Very low48.3Very low68 Ų68126.7 Ų126.770%0.70168%0.68SS**THydrogen-bonded Turntrans-85-11.9179.400000115.1Q501 R502Q501-G505 PolarHBondContact O-N 3.42Å; R502-G505 PolarHBondContact O-N 3.49Å
506A41.2Very low46.5Very low86 Ų86126.1 Ų126.171%0.71169%0.687SS**SBendtrans-110.114.8-173.900000113.8
507A38.5Very low44.9Very low68 Ų68125.8 Ų125.856%0.56270%0.697SS**SBendtrans-108.42.1-17100000114.8
508N35.2Very low43.5Very low150 Ų150123.5 Ų123.580%0.80271%0.709SS**  trans-116.449.9-175.8-71.619.4000111.6
509S33.8Very low41.7Very low111 Ų111124.7 Ų124.778%0.77672%0.721SS**  trans-145.957.8-179.2-57.60000112.1
510T32Very low40.3Very low122 Ų122132.2 Ų132.275%0.74875%0.746SS**  trans-154.8147.717225.20000107.7
511M32.5Very low39Very low188 Ų188133.8 Ų133.893%0.92675%0.753SS**  trans69.8133.9-162.3-46.2178.8-171.400112.1
512V34Very low37.9Very low124 Ų124135 Ų13575%0.75276%0.758SS**  cis-129.6145.2-3.1178.80000108.2L514V512-L514 HydrophobicContact CG1-CD1 4.13Å
513H31.2Very low37Very low180 Ų180131.3 Ų131.383%0.83375%0.754SS**  trans-115.4128.6166-172.4-67.5000108
514L37.7Very low36.2Very low150 Ų150136.2 Ų136.279%0.78576%0.763SS**  trans-149.8151.4175.2-108.1157.4000109.3V512V512-L514 HydrophobicContact CG1-CD1 4.13Å
515E33.9Very low35.7Very low138 Ų138138.5 Ų138.565%0.64577%0.767SS**  trans-75.5170.5-166.7-133.4-161.691.400113D517E515-D517 PolarHBondContact OE1-N 3.34Å
516P39.1Very low35.2Very low120 Ų120143.8 Ų143.878%0.77977%0.773SS**  -134.7149.464.637.5-22.4000116.6
517D35Very low34.9Very low144 Ų144145.1 Ų145.177%0.7778%0.777SS**  trans-73.4141.6163.2-84-28.6000111.7E515E515-D517 PolarHBondContact OE1-N 3.34Å
518A39Very low35Very low101 Ų101148.3 Ų148.384%0.83579%0.792SS**  trans-157.5116.3157.300000111.6
519L34.6Very low35.1Very low172 Ų172144.9 Ų144.990%0.90179%0.792SS**  trans-45.6128.4170.2-62.2152000113.5
520E36.5Very low35.3Very low199 Ų199145 Ų14593%0.9380%0.8SS**  -150.5133.8123.2-136.6172.2-168.200110.9
521E33.6Very low35.5Very low148 Ų148143 Ų14369%0.69280%0.804SS**  trans-122154.6-168.9-155-155.2124.600110.3
522Q30.5Very low35.6Very low146 Ų146145.2 Ų145.268%0.68280%0.802SS**  trans74.6153.8165.1-47.7179.56.300118.2
523L36Very low35.8Very low142 Ų142145.1 Ų145.174%0.74380%0.801SS**  trans68.7128.9173.5-52.4138000114.9
524K34.4Very low36Very low172 Ų172145 Ų14575%0.74880%0.798SS**  cis-158.9149.21.1-128161.7-174.3165.90110.1
525K36.6Very low35.7Very low180 Ų180146.4 Ų146.478%0.78380%0.798SS**  trans9.3147.1153.5-57.2-179.7178.4-178.90119.1
526Q34.7Very low35.7Very low179 Ų179148.9 Ų148.984%0.83681%0.807SS**  cis-165.9177.339.1-147.9149-31.600115.1
527S35.2Very low35.5Very low114 Ų114147.2 Ų147.280%0.79780%0.799SS**  trans-62.2169-166.9-69.70000120.7
528P40.5Very low35.6Very low134 Ų134149 Ų14987%0.8780%0.804SS**  trans-105176.9-167.941.9-37.4000116.7
529G37Very low35.7Very low78 Ų78149.2 Ų149.280%0.80480%0.797SS**  trans-147106.7177.400000117.3
530A37.7Very low35.7Very low115 Ų115148.8 Ų148.895%0.9580%0.796SS**  trans26.1124.5153.900000124.7
531G36.8Very low35.8Very low80 Ų80142.7 Ų142.783%0.82579%0.786SS**  trans118.2148.2145.100000117.2
532R34.4Very low36Very low234 Ų234143.3 Ų143.388%0.88379%0.794SS**  cis-167.4123.2-8-167.9-175.6-164.4-1727.1111.2
533V37.5Very low36.5Very low121 Ų121148.2 Ų148.273%0.73381%0.806SS**  trans66.5146.7152.5156.10000118.1
534K34.9Very low36.6Very low177 Ų177152.2 Ų152.277%0.7781%0.811SS**  cis-156.6133.7-16.9-99.3170.4-161.9173.30105.9
535K32.9Very low36.8Very low180 Ų180150.9 Ų150.978%0.78381%0.812SS**  66.4117.584.2-78.3-162.6175.6-172.30118.7
536F33.7Very low37Very low190 Ų190151.5 Ų151.583%0.83382%0.815SS**  trans66.2166.9147.3-74.4-120.6000118.9
537S34.5Very low37.1Very low86 Ų86147.8 Ų147.860%0.60181%0.806SS**  cis-177.4155.8-38-168.60000111.1
538M36.9Very low37.1Very low181 Ų181151.3 Ų151.389%0.89281%0.807SS**  trans73.3165.4155-86.7178168.600120.2
539P41.6Very low36.7Very low105 Ų105152.4 Ų152.468%0.68280%0.8SS**  trans-131.7-159.7-132.648.7-34.7000117.1
540D34.9Very low36.5Very low164 Ų164158.8 Ų158.888%0.87781%0.806SS**  trans75.9144.6166.2-71.6-22.4000120.1
541G38.4Very low36.2Very low71 Ų71161.9 Ų161.973%0.73280%0.798SS**  trans113.2119.3164.600000117.8
542L37.9Very low36Very low161 Ų161169.9 Ų169.984%0.84380%0.804SS**  trans50.293147-64.5168.1000120.3
543R40.1Very low36.2Very low248 Ų248164.4 Ų164.494%0.93680%0.798SS**  trans-174.1105.9143.6-92.5141.8-163-115.46.9106.1
544R37.7Very low36.2Very low226 Ų226163.2 Ų163.285%0.85380%0.795SS**  cis43.612141.6-81.5-163.3-179.7-167.82.2113.7
545L38.6Very low36.3Very low145 Ų145163 Ų16376%0.75980%0.797SS**SBendtrans76.3104.2164.3-59.8164.4000117.7
546F41.3Very low36.5Very low193 Ų193160.6 Ų160.685%0.84679%0.793SS**  trans73.6147.4156.6-60.5-67000120.8
547P37.2Very low36.5Very low100 Ų100158 Ų15865%0.64979%0.786SS**  trans-94.9163.7-176.538.8-35.7000112.8
548F35.8Very low36.5Very low188 Ų188160.7 Ų160.783%0.82579%0.79SS**  169.2140.3127.5-103.5-82.4000111.7
549Q31.8Very low36.5Very low157 Ų157161.7 Ų161.773%0.73478%0.784SS**  trans4.3142.7165.4-64.9-178.322.200122.6
550K32.4Very low36.2Very low212 Ų212164.8 Ų164.892%0.92279%0.786SS**  -146.4125.9119.1-119.3168.4-174.1171.50112.5
551K31.9Very low36.2Very low180 Ų180163.3 Ų163.378%0.78378%0.778SS**  trans-82.5163.1157.8-63.4179.3177.1-179.40109
552R32.6Very low35.8Very low249 Ų249163.9 Ų163.994%0.9477%0.771SS**  -151.9160.6128.3-87.4-136.7168158.9-2.3112.5
553P37.9Very low35.5Very low119 Ų119162.7 Ų162.777%0.77377%0.769SS**  trans-131.6-176.6-16444-27.8000114.7
554S37.4Very low35Very low95 Ų95156.5 Ų156.566%0.66476%0.759SS**  trans-161.4133.5158.350.50000111.4
555Q37.1Very low34.8Very low172 Ų172151.2 Ų151.280%0.80476%0.757SS**  trans51.1145.2139-76.3146.5-53.300121
556D37.1Very low34.7Very low131 Ų131150.9 Ų150.970%0.70176%0.76SS**  cis-134.2140.713.9-88.5-51.2000111.5
557L34.3Very low34.5Very low134 Ų134146.2 Ų146.270%0.70275%0.749SS**  79.291.682.6-153.876.6000112.8
558E33.4Very low34.4Very low144 Ų144150.1 Ų150.167%0.67376%0.759SS**  93.2132.962.3-168.8-145.6-108.200113.9
559R37.3Very low34.2Very low202 Ų202144 Ų14476%0.76275%0.749SS**  trans151148.9144.6-82161-168-163.88.4109.7
560K34.6Very low34.3Very low169 Ų169143.4 Ų143.474%0.73576%0.756SS**  cis-172.7160.3-14.8-112.3-175.7-179-173.40105.6
561L34.8Very low34.4Very low134 Ų134140.1 Ų140.170%0.70275%0.747SS**  cis-144.3147.6-1.3-94.8-179.7000106.7
562S31.5Very low34.4Very low83 Ų83136.6 Ų136.658%0.5875%0.745SS**  62.2116.684.599.80000116.7
563V31.3Very low34.5Very low135 Ų135132.2 Ų132.282%0.81874%0.735SS**  83.8134.897.1162.50000112.3
564V29.5Very low34.4Very low118 Ų118134.3 Ų134.372%0.71574%0.735SS**  cis178.5172.80.1133.20000105.8
565S32.9Very low34.1Very low116 Ų116133.2 Ų133.281%0.81173%0.731SS**  trans81161.3158.360.20000121.5
566V35.6Very low34Very low137 Ų137137 Ų13783%0.8374%0.738SS**  trans-131.5140.5-166.9163.60000107.8
567P38.1Very low34Very low95 Ų95136.3 Ų136.362%0.61774%0.743SS**  -155.7178.9117.343.3-25.7000116.4
568E34.4Very low34.6Very low183 Ų183134.9 Ų134.986%0.85574%0.742SS**  trans51.7154.5169.9-81.576.7-11800120
569G32.8Very low34.8Very low59 Ų59135.7 Ų135.761%0.60875%0.75SS**  cis162.6131.1-11.700000114.3
570V33.2Very low34.8Very low145 Ų145132 Ų13288%0.87975%0.746SS**  trans63.9170.3166.3-125.50000114
571I34.2Very low35.1Very low142 Ų142132.4 Ų132.473%0.72874%0.744SS**  cis-141.1121.31.9-43.7164000112.4
572S32.8Very low35.3Very low107 Ų107134.6 Ų134.675%0.74874%0.744SS**  trans62.7161.2159.581.10000118.1
573Q35.1Very low35.7Very low157 Ų157134.5 Ų134.573%0.73474%0.743SS**  cis-142176.34.8-78.3-16348.700107.7
574Q35Very low36Very low163 Ų163135.3 Ų135.376%0.76274%0.743SS**  cis-171.2165.7-27.6-97.4-153.693.200105.7
575A32Very low36.4Very low71 Ų71136 Ų13659%0.58775%0.748SS**  cis-172.6132.9-29.300000109.3
576R34.5Very low36.7Very low253 Ų253137.3 Ų137.396%0.95575%0.75SS**  trans175.7158.4144.4-98.8163-177.9173.11.3110.9
577S35.8Very low36.7Very low115 Ų115136.5 Ų136.580%0.80475%0.746SS**  trans-150.5-158-148.860.40000112.4
578P47.4Very low36.6Very low105 Ų105136.7 Ų136.768%0.68276%0.755SS**  -127.4-165.5-121.437-13.8000114.1
579L37.8Very low36.8Very low160 Ų160132.4 Ų132.484%0.83875%0.751SS**  trans-155.5158.2151.7-134.4125.9000112.7
580D37.7Very low37Very low125 Ų125135.6 Ų135.667%0.66877%0.765SS**  trans-109.9175.1-160.6-44.7-94.1000114.8
581Y41.2Very low37Very low178 Ų178133.8 Ų133.870%0.69876%0.758SS**  -177.8120.3110.5-117.3-112.7000115.8
582Y38.6Very low37.2Very low179 Ų179135.3 Ų135.370%0.70276%0.762SS**  trans63.3163.2132.9-83.5-126.9000120.9
583S39.9Very low37.2Very low81 Ų81133.8 Ų133.857%0.56675%0.752SS**  cis175.6154.3-16.41680000108.1
584N38.5Very low37.2Very low153 Ų153135.8 Ų135.882%0.81875%0.754SS**  cis-159.4-167.2-18.1-98-5.8000109
585T37.5Very low37.1Very low133 Ų133134.8 Ų134.882%0.81675%0.753SS**  trans-109.1174.1178510000113.5
586V37.8Very low37Very low142 Ų142140.9 Ų140.986%0.86176%0.761SS**  trans-167.1175.6141.3134.20000112.1
587T36.1Very low36.9Very low120 Ų120135.7 Ų135.774%0.73675%0.752SS**  trans-111.3157.9-141.652.90000119.5
588A36Very low36.7Very low99 Ų99133.8 Ų133.882%0.81875%0.75SS**  trans64.9133.813700000123.7
589A38.1Very low36Very low93 Ų93141.1 Ų141.177%0.76977%0.765SS**  trans-171.5152.2132.400000113.9
590S37.9Very low36Very low127 Ų127137 Ų13789%0.88876%0.76SS**  trans57.1160.3158.669.50000122.5
591S34.4Very low36.2Very low107 Ų107136.8 Ų136.875%0.74877%0.766SS**  trans-160.7-173.3-164.663.90000112.4
592Q37.4Very low36.2Very low173 Ų173134.1 Ų134.181%0.80877%0.771SS**  trans108.2129.3176.7-61.5-177.236.200113.9
593S32.6Very low36.8Very low75 Ų75130.8 Ų130.852%0.52477%0.771SS.*  cis84.2143.131.884.90000113.3
594Y34.4Very low37Very low199 Ų199132 Ų13278%0.7878%0.777SS**  cis-161.9162.625.9-103.7-53.5000112.9
595L32.7Very low36.9Very low143 Ų143132.8 Ų132.875%0.74977%0.773SS**  trans59.2175.4144.8-65.6167.1000119.7
596R31Very low36.9Very low199 Ų199134.1 Ų134.175%0.75177%0.771SS**  -179.3137.9-51171.3178.9178.5-170.30.9108.9
597N32.8Very low37.1Very low143 Ų143131.8 Ų131.877%0.76576%0.76SS**  trans59125.7165.5-68.46.7000119.7
598G31.6Very low37.1Very low75 Ų75133.7 Ų133.777%0.77377%0.766SS**  124.6116.4122.100000120.2
599R32.8Very low37Very low259 Ų259131.9 Ų131.998%0.97776%0.757SS**  trans62.8112.3131.6-158.6-173.3-154.9-173.26.1119.3
600G36.5Very low37Very low73 Ų73133.3 Ų133.375%0.75376%0.761SS**  trans140.6124.1156.300000116.9
601P42.1Very low36.8Very low122 Ų122135.1 Ų135.179%0.79276%0.76SS**  trans-119.8-177.5167.442.7-32.4000112.4
602P42.6Very low37Very low121 Ų121134.4 Ų134.479%0.78676%0.76SS**  cis-122-101.2-19.2206.4000115.5
603P49.8Very low37.1Very low109 Ų109132.3 Ų132.371%0.70877%0.765SS**  trans-116.8-159.2-14938.9-14.7000112
604P45.3Very low37.4Very low108 Ų108132.2 Ų132.270%0.70178%0.776SS**  cis-147.7-172.29.544.2-22000119.5
605F36.8Very low37.6Very low168 Ų168127 Ų12774%0.73778%0.783SS**  trans78.2133.7146.2-104.2-129000123.6
606E35.5Very low37.9Very low162 Ų162124.1 Ų124.176%0.75779%0.788SS**  trans54.5154.7141.7-75.3-177.9172.800121.6
607S42.1Very low38.2Very low92 Ų92117.8 Ų117.864%0.64378%0.784SS**  cis-150.4177.31055.20000112.8
608N37Very low38.6Very low161 Ų161118.9 Ų118.986%0.86179%0.789SS**  trans13.6148.6145-50.6-28.7000120.4
609G33.7Very low39.1Very low60 Ų60121.1 Ų121.162%0.61979%0.788SS**  cis145.3175.110.200000110.6
610S37.5Very low39.3Very low123 Ų123115.8 Ų115.886%0.8678%0.779SS**  trans70.1163.1174.885.90000117.3
611L34.1Very low39.1Very low165 Ų165121 Ų12186%0.86479%0.786SS**  cis-167.2176-49.8-115.4167.4000110.8
612A38.6Very low38.8Very low92 Ų92118.2 Ų118.276%0.7678%0.78SS**  trans68.2152.6170.200000116.6
613S39.4Very low38.4Very low130 Ų130122.7 Ų122.791%0.90979%0.787SS**  cis-160167.2-10.3-1350000108.6
614G39.1Very low37.5Very low73 Ų73125.5 Ų125.575%0.75379%0.791SS**  cis160.2135.8-7.800000112.6
615G38.4Very low37.1Very low89 Ų89127.7 Ų127.792%0.91879%0.794SS**  trans98.4147.1176.100000115.8
616G38.5Very low37.1Very low83 Ų83127.6 Ų127.686%0.85680%0.796SS**  cis179.2162.4-6.100000113.3
617G38.1Very low37.2Very low66 Ų66127.8 Ų127.868%0.6880%0.802SS**  trans109.1104.3-179.600000113.3
618L40.3Very low36.9Very low166 Ų166127.2 Ų127.287%0.86981%0.811SS**  66.612769.7-58.7169.5000112.2
619T41.9Very low37.1Very low122 Ų122123.7 Ų123.775%0.74880%0.804SS**  cis-164.6165.44.42.10000108.5
620N38Very low37.5Very low147 Ų147127.2 Ų127.279%0.78681%0.814SS**  cis-154.2178.5-7.8-164.319.2000109.6
621M31.5Very low37.6Very low181 Ų181127 Ų12789%0.89281%0.809SS**  trans-144.6156171.4-92.9-81.6-82.200113
622G35.6Very low38.2Very low65 Ų65124.3 Ų124.367%0.6780%0.801SS**  trans164.5149.6172.900000111.2
623F34.8Very low38Very low215 Ų215125.4 Ų125.494%0.94380%0.804SS**  cis-142.6176.94.1-145-102.3000110.5
624Q31.9Very low37.9Very low168 Ų168123.1 Ų123.179%0.78579%0.792SS**  trans-134.1172.1-175.8-164.8174.915.300110.9
625M37.1Very low37.6Very low154 Ų154128.3 Ų128.376%0.75980%0.802SS**  trans80.3153.4179.2-52171.785.700113.1
626E36.9Very low37.5Very low166 Ų166128 Ų12878%0.77680%0.799SS**  cis-145.3-175.110.8-146.3160.3129.400112.9
627D35.7Very low37.3Very low165 Ų165128.2 Ų128.288%0.88280%0.801SS**  trans-76.2163.1-173.2-67-78.1000115.7
628G37.9Very low37.3Very low81 Ų81129 Ų12984%0.83581%0.809SS**  trans17692.8173.700000118.8
629A39.4Very low37.1Very low87 Ų87125.6 Ų125.672%0.71981%0.805SS**  trans-17131168.600000123.4
630T41.9Very low37Very low134 Ų134131.3 Ų131.382%0.82281%0.814SS**  trans71.8146135.852.20000123.9
631P41.2Very low37.1Very low117 Ų117132 Ų13276%0.7681%0.813SS**  trans-102.4-163.517546.9-39.9000111.3
632P45.6Very low37.4Very low109 Ų109133.5 Ų133.571%0.70881%0.808SS**  cis-142.3-1742.843.6-24.1000118.1
633S35.5Very low37.6Very low116 Ų116140 Ų14081%0.81182%0.819SS**  trans98167.7143.383.90000121.5
634A36.4Very low37.7Very low81 Ų81134.6 Ų134.667%0.66981%0.813SS**  trans79.592.4166.800000121.3
635L33.2Very low38Very low183 Ų183131.2 Ų131.296%0.95881%0.814SS**  57.5132120.3-68.2161.5000122.4
636G36.7Very low38.1Very low82 Ų82129.1 Ų129.185%0.84582%0.821SS**  trans141.7129165.700000111.4
637G33.2Very low38.2Very low88 Ų88124.6 Ų124.691%0.90782%0.819SS**  cis137.876.3-0.100000111.3
638G39.1Very low38.6Very low82 Ų82125.9 Ų125.985%0.84582%0.817SS**  trans-155112-177.300000112.6
639A35.4Very low38.7Very low94 Ų94132 Ų13278%0.77782%0.815SS**  trans-119.7144.9-18000000110.9
640Y40.4Very low38.7Very low242 Ų242136.8 Ų136.895%0.94981%0.814SS**  trans-127158.5162.4-85.3-79.4000110.4
641Q40.2Very low38.6Very low161 Ų161138 Ų13875%0.75280%0.804SS**  trans-138.7165.2-141-162.5-161.954.800112.1
642R37.9Very low38.4Very low213 Ų213138.5 Ų138.580%0.80480%0.796SS**  trans86.4149.2172.2-52.6172.1176.6-168.3-4113.6
643K39Very low38.1Very low203 Ų203137.8 Ų137.888%0.88379%0.794SS**  cis-143.2162.73.7-141.7173.7-177.5-174.40110.1
644A36.2Very low38.4Very low100 Ų100139 Ų13983%0.82679%0.789SS**  trans-130.5146.6-172.600000114
645A38.6Very low38.5Very low98 Ų98145.1 Ų145.181%0.8180%0.797SS**  trans-177.9116.6151.100000106.9
646A39.3Very low39.1Very low109 Ų109141.4 Ų141.490%0.90178%0.782SS**  cis88107.149.900000112.9
647G39.9Very low39.1Very low72 Ų72145.3 Ų145.374%0.74278%0.778SS**  trans-151.80.3-161.500000122
648K43.1Very low39.4Very low192 Ų192147.5 Ų147.584%0.83577%0.769SS**  trans67156174.3-56.7167-175.2166.90114.8
649R40.5Very low39.3Very low210 Ų210152.1 Ų152.179%0.79277%0.769SS**  cis-160.9148-11.8-116.5172.2-177.9-170.90.2109.4
650R38.4Very low39.3Very low186 Ų186151.7 Ų151.770%0.70277%0.765SS**  trans40.9146.3137.2-72.3-165.4150.4-172.8-3.4121.3
651R39.9Very low39.4Very low160 Ų160146 Ų14660%0.60476%0.758SS**  cis-154.21384-116-165.5157.3-171-24109.3
652E37.9Very low39.3Very low128 Ų128143.2 Ų143.260%0.59876%0.756SS**  54.2133.992.8-63.1166.6-120.400115.1
653S39.9Very low39.3Very low94 Ų94137.6 Ų137.666%0.65776%0.755SS**  cis176.8-155.5-22.244.20000107.8
654I40.6Very low39.2Very low140 Ų140140 Ų14072%0.71876%0.759SS**  trans81.1134.2164.7-50.6172.2000114.3
655Y38.6Very low39Very low210 Ų210147 Ų14782%0.82476%0.764SS**  cis-125.1-174.42.7-123.6-52.7000112.8
656T45.6Very low38.9Very low106 Ų106145.8 Ų145.865%0.6576%0.761SS**  trans-84.6179.2-167.348.10000112.7
657Q37.5Very low38.6Very low163 Ų163146 Ų14676%0.76276%0.755SS**  cis-169.9135.837-173.5162.2-38.400114.3
658N38.9Very low38.4Very low134 Ų134151.5 Ų151.572%0.71776%0.764SS**  trans25.7150.5147.8-61.7-13.5000122
659Q38.2Very low38.1Very low179 Ų179152.2 Ų152.284%0.83676%0.763SS**  cis-154.5160.521.1-142.215940.200112.8
660A35.3Very low38.2Very low86 Ų86148.1 Ų148.171%0.71176%0.764SS**  trans-109.2-169.9173.400000109.5
661P41.2Very low38.3Very low123 Ų123145.1 Ų145.180%0.79977%0.769SS**  cis-130.8-158.39.739.3-15.4000112.3
662S39Very low38.3Very low102 Ų102144.4 Ų144.471%0.71378%0.782SS**  cis-162.8158.315.564.80000114
663A38.5Very low38Very low95 Ų95143 Ų14379%0.78579%0.792SS**  trans62.9153.9155.700000119
664R35.5Very low37.9Very low252 Ų252147.7 Ų147.795%0.95180%0.803SS**  cis-144.4164.2-4.5-135.2175.9-165-139.95.5109.9
665R33.5Very low37.6Very low248 Ų248145.7 Ų145.794%0.93681%0.808SS**  trans-116.6144.7-172-169.1-170.9-163.8-161.38111.1
666G34.9Very low37.4Very low72 Ų72143.7 Ų143.774%0.74281%0.81SS**  trans123.3123.6148.900000118.8
667S34.7Very low36.9Very low113 Ų113142.6 Ų142.679%0.7981%0.812SS**  trans45.9127.1139.6-155.50000121.6
668M35.1Very low37Very low189 Ų189143.6 Ų143.693%0.93182%0.817SS**  trans-128.2119.4156.9-90-172166.900110.9
669Y37.6Very low36.9Very low207 Ų207144.8 Ų144.881%0.81282%0.82SS**  trans-116129.3153.2-95.3-90.4000107P671Y669-P671 WeakPolarHBondContact O-CD 3.21Å
670P41.7Very low37.1Very low123 Ų123144.8 Ų144.880%0.79982%0.82SS**PPolyproline II helixtrans-98.9121.8-179.634-29.8000112.8
671P39.6Very low37.1Very low124 Ų124149.1 Ų149.181%0.80583%0.827SS**PPolyproline II helixtrans-92.6160.8164.934.8-31.5000112.7Y669Y669-P671 WeakPolarHBondContact O-CD 3.21Å
672T40.6Very low36.9Very low144 Ų144154.5 Ų154.588%0.88383%0.832SS**PPolyproline II helixtrans-71.7155.5-170.8440000116
673A32.7Very low36.7Very low98 Ų98161 Ų16181%0.8184%0.841SS**PPolyproline II helixtrans-55.6138.7-179.900000116.6
674H36.3Very low36.2Very low194 Ų194160.2 Ų160.290%0.89884%0.843SS**  trans-158.7-173.2135.1-139.9-108.8000111.2
675A34.2Very low36.2Very low98 Ų98153.6 Ų153.681%0.8184%0.835SS**  trans79.5125175.300000117.1
676L34.1Very low36.2Very low168 Ų168149.4 Ų149.488%0.8883%0.83SS**  trans-122.3150.2-176.6-169.4167.6000107.5
677A36.6Very low36.3Very low83 Ų83150 Ų15069%0.68683%0.828SS**  trans72.8118.4172.200000118
678Q40.1Very low36.3Very low184 Ų184151.5 Ų151.586%0.8683%0.832SS**  -153.8173.5108.2-110.2-179.18.200112.3
679M36.2Very low36.2Very low158 Ų158148.6 Ų148.678%0.77883%0.831SS**  trans-46.7165.4-173.5-55.2177.5-179.900115.3
680Q42.1Very low36Very low180 Ų180141.8 Ų141.884%0.84182%0.824SS**  cis-150.3126.439.9-68.4172.7-1800116.1
681M36.2Very low35.5Very low176 Ų176142.4 Ų142.487%0.86783%0.831SS**  26117.8125-66-75.3-167.300120.7
682R35.7Very low35.1Very low236 Ų236140.4 Ų140.489%0.89183%0.832SS**  -160.6116.1114.8-121.3-179.6179.9-165.7-0.1115.2
683R34.2Very low34.6Very low238 Ų238139.4 Ų139.490%0.89883%0.831SS**  trans39.2111.8153.4-70.6-175.6170.4179.6-4120.3
684G29.4Very low34.6Very low80 Ų80139.1 Ų139.183%0.82583%0.829SS**  trans-128.2133.714100000109.8
685S35.1Very low34.2Very low112 Ų112134.5 Ų134.578%0.78382%0.824SS**  trans-176.7139.9-179.7-1630000107.3
686L33.8Very low34.2Very low161 Ų161138.6 Ų138.684%0.84383%0.829SS**  cis-145.8-172-0.6-157.657.6000109.4
687A35.8Very low34.1Very low84 Ų84134.7 Ų134.769%0.69482%0.821SS**  trans-30.3160.9171.600000117.8
688T36.3Very low33.9Very low144 Ų144135.5 Ų135.588%0.88383%0.827SS**  cis-151.4-173.447.3500000114.7
689S32Very low33.6Very low129 Ų129133.8 Ų133.890%0.90283%0.829SS**  trans-100.1152.9-177.8-174.20000113.2
690G33.1Very low33.5Very low64 Ų64130.2 Ų130.266%0.6683%0.825SS**  trans153101.3176.300000109.8
691S30.7Very low33.2Very low136 Ų136126 Ų12695%0.95182%0.821SS**  64.3108.477.6-1640000113.3
692G32.3Very low33Very low81 Ų81127.8 Ų127.884%0.83582%0.818SS**  trans171.212717700000111.6
693S30.5Very low32.9Very low123 Ų123127.8 Ų127.886%0.8682%0.818SS**  trans-124.9165.7177.2-171.20000109.9
694A31.7Very low32.9Very low92 Ų92119.5 Ų119.576%0.7681%0.807SS**  trans64.2129.7-17300000114.2
695A29.1Very low33Very low97 Ų97121.1 Ų121.180%0.80281%0.805SS**  cis89.881.739.600000114.6
696M33.3Very low33Very low184 Ų184124 Ų12491%0.90681%0.811SS**  trans-141.3124.6148.5-80.2-65.2-144.500105.7
697A32Very low32.8Very low86 Ų86125.9 Ų125.971%0.71181%0.813SS**  cis99109.131.900000113.6
698A31.7Very low32.9Very low100 Ų100127.3 Ų127.383%0.82682%0.815SS**  trans61.6114.4154.400000121.5
699V33.9Very low32.7Very low148 Ų148124.2 Ų124.290%0.89780%0.804SS**  trans-126.5153.6130.8177.90000108
700A35Very low32.6Very low84 Ų84124.7 Ų124.769%0.69480%0.802SS**  trans-37.8145-172.400000116.8
701A35Very low32.6Very low90 Ų90126 Ų12674%0.74481%0.806SS**  cis64.9140.446.200000112.7
702R33.4Very low32.7Very low215 Ų215124.9 Ų124.981%0.81180%0.799SS**  cis-146.2171.624.7-68.7174.3166.3-177.7-3.8112.3
703R33Very low32.7Very low235 Ų235125.1 Ų125.189%0.88779%0.793SS**  trans19.7141.7146.1-58.2171.5-178.9179.7-2.1119.7
704G33.6Very low32.9Very low65 Ų65124.6 Ų124.667%0.6779%0.789SS**  cis150.8144.4-3.300000113.8
705S31.9Very low33Very low113 Ų113125.3 Ų125.379%0.7979%0.788SS**  trans47113.816161.90000120.8
706L34.5Very low33.3Very low173 Ų173127.9 Ų127.991%0.90679%0.788SS**  173.9151110-89.5160.1000112.1
707F30.7Very low33.2Very low201 Ų201125.8 Ų125.888%0.88279%0.786SS**  trans-89.1173.5168.6-74.6-84.9000109.7
708P36.5Very low33.2Very low113 Ų113127.5 Ų127.573%0.73479%0.792SS**  cis-145.2-179.816.345-25.9000118.6
709A32Very low33.4Very low80 Ų80126.9 Ų126.966%0.66179%0.787SS**  trans66.5123140.600000123.9
710T31.3Very low33.5Very low138 Ų138126 Ų12685%0.84779%0.785SS**  trans57.7113.6139.757.80000121.5
711A31.6Very low33.3Very low91 Ų91133.7 Ų133.775%0.75280%0.796SS**  178.8143.210900000113.3
712S33.5Very low33.2Very low114 Ų114141.5 Ų141.580%0.79781%0.806SS**  trans48.4148148.155.90000124.4
713A33.1Very low33.3Very low86 Ų86136.6 Ų136.671%0.71180%0.804SS**  trans79.287.5146.700000121.3
714S33.5Very low33.4Very low111 Ų111129.4 Ų129.478%0.77679%0.79SS**  92.514411980.30000122.4
715S34.3Very low33.8Very low107 Ų107133.9 Ų133.975%0.74880%0.797SS**  trans94131.415384.50000120.7
716L34.7Very low33.8Very low152 Ų152138.4 Ų138.480%0.79680%0.803SS**  trans71.9127.2157.4-89.569.6000123
717T32Very low33.9Very low140 Ų140133.6 Ų133.686%0.85978%0.784SS**  trans72.7108.1157.865.20000120.1
718S33.1Very low34.2Very low121 Ų121130.7 Ų130.785%0.84678%0.782SS**  trans-142.9122.7155.366.20000110.7
719A34.6Very low34.6Very low87 Ų87130.5 Ų130.572%0.71978%0.779SS**PPolyproline II helixtrans-66.3153.5-178.800000113.1
720P35.6Very low35.6Very low131 Ų131129.8 Ų129.885%0.85177%0.769SS**PPolyproline II helixtrans-65.3135.5-172.725.9-35.3000112.9
721R31.9Very low36.4Very low245 Ų245131.5 Ų131.593%0.92577%0.768SS**PPolyproline II helixtrans-90.5137.7171.6-69.8-172175-156.80.5110.6S723R721-S723 PolarHBondContact O-N 2.89Å
722R33.4Very low37.4Very low254 Ų254135.4 Ų135.496%0.95877%0.768SS**PPolyproline II helixtrans-53.8130.9178.2-125.5178.6-179.3-145.81.6111.4
723S34.1Very low38.2Very low111 Ų111134 Ų13478%0.77675%0.751SS**PPolyproline II helixtrans-76154.2174.345.60000112.6R721R721-S723 PolarHBondContact O-N 2.89Å
724S35.6Very low39.1Very low85 Ų85135.8 Ų135.859%0.59475%0.747SS**PPolyproline II helixtrans-88130.2173.843.90000111.5F726 S727S724-F726 PolarHBondContact O-N 3.32Å; S724-S727 PolarHBondContact O-OG 3.21Å; S724-S727 PolarHBondContact OG-OG 3.31Å
725I41.7Very low39.9Very low158 Ų158135.3 Ų135.381%0.8174%0.735SS**THydrogen-bonded Turntrans-70.8-3.4-169.3-69.7170.6000114.6
726F32.8Very low40.8Very low209 Ų209134.4 Ų134.492%0.91773%0.725SS**THydrogen-bonded Turntrans-128.941.4-174.8-78.3-76.5000114.2S724S724-F726 PolarHBondContact O-N 3.32Å
727S36.2Very low41.4Very low72 Ų72131.9 Ų131.950%0.50371%0.712SS.*SBendtrans-138.2131.4174.750.70000110.9S724S724-S727 PolarHBondContact O-OG 3.21Å; S724-S727 PolarHBondContact OG-OG 3.31Å
728V38Very low42.5Very low140 Ų140132.6 Ų132.685%0.84871%0.705SS**  trans70.389.2-175.5-167.30000114
729T44.5Very low43.5Very low109 Ų109134.4 Ų134.467%0.66970%0.7SS**  trans-85.9124.7159.750.10000109.2
730S51.6Low45Very low65 Ų65134 Ų13446%0.45569%0.689SS.*  trans-87.2157.1171.7-174.30000109.8K732 D733S730-K732 PolarHBondContact O-N 3.32Å; S730-D733 PolarHBondContact N-OD2 3.3Å; S730-D733 PolarHBondContact O-N 3.05Å
731E49.1Very low46.7Very low173 Ų173131.2 Ų131.281%0.80867%0.67SS**G310 helixtrans-53.1-31.1176-68.8168109.300112.5D733 M734E731-D733 PolarHBondContact O-N 3.49Å; E731-M734 WeakPolarHBondContact O-CB 3.33Å; E731-M734 PolarHBondContact O-N 3Å
732K51.7Low48.4Very low173 Ų173126.1 Ų126.175%0.75266%0.659SS**G310 helixtrans-60.8-25177.8-65.9-178.2178.9177.90114S730 M734S730-K732 PolarHBondContact O-N 3.32Å; K732-M734 VanDerWaalsContact C-N 3.33Å
733D51.4Low49.8Very low85 Ų85116.3 Ų116.346%0.45563%0.633SS.*G310 helixtrans-79.4-17.4176.2-58.5-44.4000112.4S730 E731S730-D733 PolarHBondContact N-OD2 3.3Å; S730-D733 PolarHBondContact O-N 3.05Å; E731-D733 PolarHBondContact O-N 3.49Å
734M50.4Low51.4Low124 Ų124113.9 Ų113.961%0.61161%0.611SS**Hα-helixtrans-73.8-44.5-177.4-147.817581.500111.1E731 K732 V736 L737E731-M734 WeakPolarHBondContact O-CB 3.33Å; E731-M734 PolarHBondContact O-N 3Å; K732-M734 VanDerWaalsContact C-N 3.33Å; M734-V736 PolarHBondContact O-N 3.25Å; M734-V736 VanDerWaalsContact O-N 3.17Å; M734-L737 WeakPolarHBondContact O-CB 3.34Å; M734-L737 PolarHBondContact O-N 3.31Å
735N50.7Low53Low101 Ų101115.1 Ų115.154%0.5461%0.61SS.*Hα-helixtrans-66.4-16.9178.4-59.518.3000113.1
736V54Low54.5Low87 Ų87112.4 Ų112.453%0.52760%0.596SS.*Hα-helixtrans-73.2-34.3173.5-179.50000111M734 E738 Q739 T740M734-V736 PolarHBondContact O-N 3.25Å; M734-V736 VanDerWaalsContact O-N 3.17Å; V736-E738 VanDerWaalsContact C-N 3.33Å; V736-E738 PolarHBondContact O-N 3.43Å; V736-Q739 PolarHBondContact O-N 3.1Å; V736-T740 PolarHBondContact O-N 2.82Å
737L46.8Very low56.1Low99 Ų99108.3 Ų108.352%0.51858%0.575SS.*Hα-helixtrans-73-23.7-178.9-71164.2000113.1M734 Q739 T740M734-L737 WeakPolarHBondContact O-CB 3.34Å; M734-L737 PolarHBondContact O-N 3.31Å; L737-Q739 VanDerWaalsContact C-N 3.25Å; L737-Q739 PolarHBondContact O-N 3.16Å; L737-T740 PolarHBondContact O-OG1 3.26Å; L737-T740 VanDerWaalsContact O-OG1 3.07Å
738E55.2Low57.7Low155 Ų155107.5 Ų107.572%0.72457%0.573SS**THydrogen-bonded Turntrans-73.4-17.6173.3-62.5-173.4149.400112.8V736V736-E738 VanDerWaalsContact C-N 3.33Å; V736-E738 PolarHBondContact O-N 3.43Å
739Q55.4Low59.2Low160 Ų160106.4 Ų106.475%0.74856%0.561SS**THydrogen-bonded Turntrans-109-5.7-178.3-61.9-169.3-5.100114.2V736 L737 T741V736-Q739 PolarHBondContact O-N 3.1Å; L737-Q739 VanDerWaalsContact C-N 3.25Å; L737-Q739 PolarHBondContact O-N 3.16Å; Q739-T741 PolarHBondContact O-N 2.89Å; Q739-T741 VanDerWaalsContact O-N 3.08Å
740T64.1Low60.5Low77 Ų77107.4 Ų107.447%0.47256%0.558SS.*  trans-70.5104.4177.441.40000112V736 L737V736-T740 PolarHBondContact O-N 2.82Å; L737-T740 PolarHBondContact O-OG1 3.26Å; L737-T740 VanDerWaalsContact O-OG1 3.07Å
741T72.7Confident61.5Low74 Ų74108.2 Ų108.245%0.45456%0.561SS.*  trans-73.6160.3177.671.80000112.2Q739 A743 D744 L745Q739-T741 PolarHBondContact O-N 2.89Å; Q739-T741 VanDerWaalsContact O-N 3.08Å; T741-A743 PolarHBondContact O-N 3.5Å; T741-A743 VanDerWaalsContact O-N 3.15Å; T741-A743 PolarHBondContact OG1-N 2.81Å; T741-D744 PolarHBondContact N-OD2 3.45Å; T741-D744 PolarHBondContact O-N 3.04Å; T741-D744 PolarHBondContact OG1-N 3.41Å; T741-D744 PolarHBondContact OG1-OD2 2.94Å; T741-L745 PolarHBondContact O-N 3.29Å; T741-L745 VanDerWaalsContact O-N 3.17Å
742I66.8Low62.5Low137 Ų137104.9 Ų104.970%0.70355%0.552SS**Hα-helixtrans-55.9-32.5174.5-61.1174.4000111.3L745 I746I742-L745 PolarHBondContact O-N 2.85Å; I742-I746 HydrophobicContact CG2-CD1 3.99Å; I742-I746 HydrophobicContact CG2-CG1 4.45Å; I742-I746 WeakPolarHBondContact O-CG1 3.35Å; I742-I746 PolarHBondContact O-N 3.35Å
743A64.1Low63.2Low49 Ų49101.8 Ų101.841%0.40554%0.54SS..Hα-helixtrans-67.3-34.8177.800000113.2T741 R747T741-A743 PolarHBondContact O-N 3.5Å; T741-A743 VanDerWaalsContact O-N 3.15Å; T741-A743 PolarHBondContact OG1-N 2.81Å; A743-R747 PolarHBondContact O-N 3.48Å; A743-R747 VanDerWaalsContact O-N 3.1Å
744D67.9Low64.3Low59 Ų59101.1 Ų101.132%0.31654%0.539SS..Hα-helixtrans-72.1-36.5173.8-60.5-58.3000111.3T741 R747 A748T741-D744 PolarHBondContact N-OD2 3.45Å; T741-D744 PolarHBondContact O-N 3.04Å; T741-D744 PolarHBondContact OG1-N 3.41Å; T741-D744 PolarHBondContact OG1-OD2 2.94Å; D744-R747 PolarHBondContact O-N 2.9Å; D744-R747 IonicContact OD1-CZ 2.71Å; D744-R747 IonicContact OD1-NH1 3.71Å; D744-R747 PolarHBondContact OD1-NH1 2.84Å; D744-R747 IonicContact OD1-NH2 2.65Å; D744-R747 PolarHBondContact OD1-NH2 3.29Å; D744-A748 WeakPolarHBondContact O-CB 3.5Å; D744-A748 PolarHBondContact O-N 3.25Å
745L68.8Low65.3Low111 Ų111100.9 Ų100.958%0.58154%0.536SS*.Hα-helixtrans-64.9-38.2174.6-168124.7000112.2T741 I742 A748 L749T741-L745 PolarHBondContact O-N 3.29Å; T741-L745 VanDerWaalsContact O-N 3.17Å; I742-L745 PolarHBondContact O-N 2.85Å; L745-A748 PolarHBondContact O-N 3.25Å; L745-L749 HydrophobicContact CD2-CD1 4.27Å; L745-L749 WeakPolarHBondContact O-CB 3.33Å; L745-L749 PolarHBondContact O-N 3.23Å
746I72Confident66.2Low101 Ų10198.8 Ų98.852%0.51853%0.532SS..Hα-helixtrans-64.2-49.1173.1-70.1166.1000110.8I742 A748 L749 E750I742-I746 HydrophobicContact CG2-CD1 3.99Å; I742-I746 HydrophobicContact CG2-CG1 4.45Å; I742-I746 WeakPolarHBondContact O-CG1 3.35Å; I742-I746 PolarHBondContact O-N 3.35Å; I746-A748 VanDerWaalsContact C-N 3.31Å; I746-A748 PolarHBondContact O-N 2.94Å; I746-L749 WeakPolarHBondContact O-CB 3.31Å; I746-L749 PolarHBondContact O-N 3.16Å; I746-E750 PolarHBondContact O-N 3.11Å
747R67.6Low67.1Low123 Ų12396.6 Ų96.646%0.46452%0.519SS..Hα-helixtrans-61.8-36.7177-80.1-174.3-90.198.73112.5A743 D744 E750 V751A743-R747 PolarHBondContact O-N 3.48Å; A743-R747 VanDerWaalsContact O-N 3.1Å; D744-R747 PolarHBondContact O-N 2.9Å; D744-R747 IonicContact OD1-CZ 2.71Å; D744-R747 IonicContact OD1-NH1 3.71Å; D744-R747 PolarHBondContact OD1-NH1 2.84Å; D744-R747 IonicContact OD1-NH2 2.65Å; D744-R747 PolarHBondContact OD1-NH2 3.29Å; R747-E750 PolarHBondContact O-N 2.96Å; R747-V751 WeakPolarHBondContact O-CG2 3.24Å; R747-V751 PolarHBondContact O-N 3.38Å; R747-V751 VanDerWaalsContact O-N 3.08Å
748A69.4Low68.4Low56 Ų5696.1 Ų96.146%0.46352%0.517SS..Hα-helixtrans-65.3-42.2173.800000112.3D744 L745 I746 E750 V751 V752D744-A748 WeakPolarHBondContact O-CB 3.5Å; D744-A748 PolarHBondContact O-N 3.25Å; L745-A748 PolarHBondContact O-N 3.25Å; I746-A748 VanDerWaalsContact C-N 3.31Å; I746-A748 PolarHBondContact O-N 2.94Å; A748-E750 VanDerWaalsContact C-N 3.33Å; A748-E750 PolarHBondContact O-N 3.33Å; A748-V751 PolarHBondContact O-N 3.2Å; A748-V752 WeakPolarHBondContact O-CG2 3.34Å; A748-V752 PolarHBondContact O-N 3.3Å
749L68.7Low69.1Low116 Ų11692.9 Ų92.961%0.60750%0.504SS*.Hα-helixtrans-61-40.9175-108.1160.3000112.3L745 I746 V752 H753L745-L749 HydrophobicContact CD2-CD1 4.27Å; L745-L749 WeakPolarHBondContact O-CB 3.33Å; L745-L749 PolarHBondContact O-N 3.23Å; I746-L749 WeakPolarHBondContact O-CB 3.31Å; I746-L749 PolarHBondContact O-N 3.16Å; L749-V752 PolarHBondContact O-N 3.09Å; L749-H753 WeakPolarHBondContact O-CB 3.46Å; L749-H753 PolarHBondContact O-N 3.47Å
750E72Confident69.8Low130 Ų13091.4 Ų91.461%0.60750%0.498SS*.Hα-helixtrans-65-44.4177.1-171.1168.9-147.800112.1I746 R747 A748 H753 T754I746-E750 PolarHBondContact O-N 3.11Å; R747-E750 PolarHBondContact O-N 2.96Å; A748-E750 VanDerWaalsContact C-N 3.33Å; A748-E750 PolarHBondContact O-N 3.33Å; E750-H753 PolarHBondContact O-N 3.18Å; E750-T754 PolarHBondContact O-N 3.12Å; E750-T754 PolarHBondContact O-OG1 3.33Å
751V73.6Confident69.8Low83 Ų8393.9 Ų93.950%0.50350%0.504SS..Hα-helixtrans-65.9-37.9175.9172.60000112.3R747 A748 H753 T754 H755R747-V751 WeakPolarHBondContact O-CG2 3.24Å; R747-V751 PolarHBondContact O-N 3.38Å; R747-V751 VanDerWaalsContact O-N 3.08Å; A748-V751 PolarHBondContact O-N 3.2Å; V751-H753 VanDerWaalsContact C-N 3.34Å; V751-T754 PolarHBondContact O-OG1 3.06Å; V751-H755 PolarHBondContact O-N 3.29Å
752V70Confident69.5Low102 Ų10297 Ų9762%0.61851%0.513SS*.Hα-helixtrans-66.5-37.7173.9170.40000111.2A748 L749 A756A748-V752 WeakPolarHBondContact O-CG2 3.34Å; A748-V752 PolarHBondContact O-N 3.3Å; L749-V752 PolarHBondContact O-N 3.09Å; V752-A756 WeakPolarHBondContact O-CB 3.28Å; V752-A756 PolarHBondContact O-N 3Å; V752-A756 VanDerWaalsContact O-N 3.09Å
753H65.4Low69.3Low109 Ų10997.2 Ų97.251%0.50551%0.511SS..Hα-helixtrans-69.3-38.2178-168.7-73000112.6L749 E750 V751 V757L749-H753 WeakPolarHBondContact O-CB 3.46Å; L749-H753 PolarHBondContact O-N 3.47Å; E750-H753 PolarHBondContact O-N 3.18Å; V751-H753 VanDerWaalsContact C-N 3.34Å; H753-V757 WeakPolarHBondContact O-CG2 3.45Å; H753-V757 PolarHBondContact O-N 3.1Å
754T74.8Confident69.2Low70 Ų7098 Ų9843%0.42952%0.517SS..Hα-helixtrans-66.9-43175.653.80000111.9E750 V751 A756 V757 L758E750-T754 PolarHBondContact O-N 3.12Å; E750-T754 PolarHBondContact O-OG1 3.33Å; V751-T754 PolarHBondContact O-OG1 3.06Å; T754-A756 PolarHBondContact O-N 3.25Å; T754-V757 PolarHBondContact O-N 3.46Å; T754-L758 WeakPolarHBondContact O-CG 3.17Å; T754-L758 PolarHBondContact O-N 3.19Å
755H71Confident68.9Low120 Ų12098.4 Ų98.456%0.55653%0.529SS*.Hα-helixtrans-60.3-45.5175.3-99.2-76.9000113.2V751 V757 L758 D759V751-H755 PolarHBondContact O-N 3.29Å; H755-V757 VanDerWaalsContact C-N 3.32Å; H755-V757 PolarHBondContact O-N 3.03Å; H755-L758 PolarHBondContact O-N 3.23Å; H755-D759 PolarHBondContact O-N 3.46Å
756A70.7Confident68.3Low56 Ų5696.5 Ų96.546%0.46353%0.529SS..Hα-helixtrans-62.1-37.6179.800000112.9V752 T754 E760V752-A756 WeakPolarHBondContact O-CB 3.28Å; V752-A756 PolarHBondContact O-N 3Å; V752-A756 VanDerWaalsContact O-N 3.09Å; T754-A756 PolarHBondContact O-N 3.25Å; A756-E760 PolarHBondContact O-N 2.81Å; A756-E760 VanDerWaalsContact O-N 3.14Å
757V73.5Confident67.4Low41 Ų4195.2 Ų95.225%0.24853%0.534CS..Hα-helixtrans-71.3-35.8176.7172.70000111.8H753 T754 H755 E760 Q761H753-V757 WeakPolarHBondContact O-CG2 3.45Å; H753-V757 PolarHBondContact O-N 3.1Å; T754-V757 PolarHBondContact O-N 3.46Å; H755-V757 VanDerWaalsContact C-N 3.32Å; H755-V757 PolarHBondContact O-N 3.03Å; V757-E760 PolarHBondContact O-N 3.35Å; V757-Q761 WeakPolarHBondContact O-CG 3.36Å; V757-Q761 PolarHBondContact O-N 3.19Å
758L72.5Confident66.6Low90 Ų9092 Ų9247%0.47154%0.538SS..Hα-helixtrans-66.5-42.7175.5-73.5167.4000112T754 H755 Q761 Q762T754-L758 WeakPolarHBondContact O-CG 3.17Å; T754-L758 PolarHBondContact O-N 3.19Å; H755-L758 PolarHBondContact O-N 3.23Å; L758-Q761 PolarHBondContact O-N 3.34Å; L758-Q762 PolarHBondContact O-N 3.3Å
759D70Confident65.5Low86 Ų8692 Ų9246%0.4655%0.545SS..Hα-helixtrans-62.3-42.2174.4-84.5-18.6000111.6H755 Q762 Q763H755-D759 PolarHBondContact O-N 3.46Å; D759-Q762 PolarHBondContact O-N 3.09Å; D759-Q763 WeakPolarHBondContact O-CB 3.18Å; D759-Q763 VanDerWaalsContact O-CG 3.31Å; D759-Q763 WeakPolarHBondContact O-CG 3.22Å; D759-Q763 PolarHBondContact O-N 3.13Å
760E70.3Confident64.3Low130 Ų13090.9 Ų90.961%0.60755%0.552SS**Hα-helixtrans-65.4-39.5176.6-166.8175.4-162.500111.5A756 V757 A764A756-E760 PolarHBondContact O-N 2.81Å; A756-E760 VanDerWaalsContact O-N 3.14Å; V757-E760 PolarHBondContact O-N 3.35Å; E760-A764 WeakPolarHBondContact O-CB 3.34Å; E760-A764 PolarHBondContact O-N 2.94Å
761Q65Low62.9Low128 Ų12889.1 Ų89.160%0.59856%0.559SS**Hα-helixtrans-65.9-42173.1-79.4-167.6-36.300113V757 L758 A764 A765V757-Q761 WeakPolarHBondContact O-CG 3.36Å; V757-Q761 PolarHBondContact O-N 3.19Å; L758-Q761 PolarHBondContact O-N 3.34Å; Q761-A764 PolarHBondContact O-N 3.39Å; Q761-A765 WeakPolarHBondContact O-CB 3.47Å; Q761-A765 PolarHBondContact O-N 2.94Å
762Q65.7Low61Low139 Ų13988.8 Ų88.865%0.6557%0.573SS**Hα-helixtrans-67.6-36.1177.2-78.1-171.1-31.400112.1L758 D759 A765 A766L758-Q762 PolarHBondContact O-N 3.3Å; D759-Q762 PolarHBondContact O-N 3.09Å; Q762-A765 PolarHBondContact O-N 3.46Å; Q762-A766 VanDerWaalsContact O-CB 3.27Å; Q762-A766 WeakPolarHBondContact O-CB 3.38Å; Q762-A766 PolarHBondContact O-N 3.39Å
763Q62.5Low59.2Low143 Ų14387.8 Ų87.867%0.66858%0.584SS**Hα-helixtrans-69.5-38.4173.7-70.7177.533.400112.1D759 A766 A767D759-Q763 WeakPolarHBondContact O-CB 3.18Å; D759-Q763 VanDerWaalsContact O-CG 3.31Å; D759-Q763 WeakPolarHBondContact O-CG 3.22Å; D759-Q763 PolarHBondContact O-N 3.13Å; Q763-A766 PolarHBondContact O-N 3.33Å; Q763-A767 WeakPolarHBondContact O-CB 3.43Å; Q763-A767 PolarHBondContact O-N 3.01Å
764A63Low57.8Low64 Ų6486.4 Ų86.453%0.52960%0.598SS.*Hα-helixtrans-64-42.1172.300000112.3E760 Q761 A767 G768E760-A764 WeakPolarHBondContact O-CB 3.34Å; E760-A764 PolarHBondContact O-N 2.94Å; Q761-A764 PolarHBondContact O-N 3.39Å; A764-A767 PolarHBondContact O-N 3.44Å; A764-G768 PolarHBondContact O-N 2.87Å
765A61.3Low56.1Low69 Ų6987 Ų8757%0.5762%0.618SS**Hα-helixtrans-65.8-42.317600000112.2Q761 Q762 G768 G769Q761-A765 WeakPolarHBondContact O-CB 3.47Å; Q761-A765 PolarHBondContact O-N 2.94Å; Q762-A765 PolarHBondContact O-N 3.46Å; A765-G768 PolarHBondContact O-N 3.17Å; A765-G769 PolarHBondContact O-N 3.41Å
766A55.7Low54.3Low70 Ų7089.7 Ų89.758%0.57964%0.635SS**Hα-helixtrans-64.5-38.7175.600000112.4Q762 Q763 G769 A770Q762-A766 VanDerWaalsContact O-CB 3.27Å; Q762-A766 WeakPolarHBondContact O-CB 3.38Å; Q762-A766 PolarHBondContact O-N 3.39Å; Q763-A766 PolarHBondContact O-N 3.33Å; A766-G769 PolarHBondContact O-N 2.97Å; A766-A770 PolarHBondContact O-N 3.45Å
767A53.8Low52.9Low75 Ų7592.7 Ų92.762%0.6265%0.653SS**Hα-helixtrans-66.5-37.7173.800000112.4Q763 A764Q763-A767 WeakPolarHBondContact O-CB 3.43Å; Q763-A767 PolarHBondContact O-N 3.01Å; A764-A767 PolarHBondContact O-N 3.44Å
768G49.6Very low51Low54 Ų54102.9 Ų102.956%0.55769%0.687SS**Hα-helixtrans-69.7-37.4174.700000113.8A764 A765 A770A764-G768 PolarHBondContact O-N 2.87Å; A765-G768 PolarHBondContact O-N 3.17Å; G768-A770 VanDerWaalsContact C-N 3.3Å; G768-A770 PolarHBondContact O-N 3.2Å
769G45.6Very low49.1Very low58 Ų58102.3 Ų102.360%0.59870%0.702SS**Hα-helixtrans-67.6-24.8-179.100000114.7A765 A766 A771A765-G769 PolarHBondContact O-N 3.41Å; A766-G769 PolarHBondContact O-N 2.97Å; G769-A771 PolarHBondContact O-N 2.93Å; G769-A771 VanDerWaalsContact O-N 3.16Å
770A44.5Very low47.6Very low92 Ų92104 Ų10476%0.7672%0.721SS**THydrogen-bonded Turntrans-73.1-2.5-175.300000115.3A766 G768A766-A770 PolarHBondContact O-N 3.45Å; G768-A770 VanDerWaalsContact C-N 3.3Å; G768-A770 PolarHBondContact O-N 3.2Å
771A42.2Very low45.7Very low92 Ų92109.2 Ų109.276%0.7674%0.735SS**THydrogen-bonded Turntrans-107.9-4.5-177.900000114.7G769 G773G769-A771 PolarHBondContact O-N 2.93Å; G769-A771 VanDerWaalsContact O-N 3.16Å; A771-G773 PolarHBondContact O-N 3.43Å
772G33.3Very low44.3Very low76 Ų76113 Ų11378%0.78475%0.75SS**  trans-95.280.3-174.700000113.8
773G33.1Very low42.7Very low82 Ų82114.8 Ų114.885%0.84576%0.758SS**  trans-151.859.8-172.700000116.5A771A771-G773 PolarHBondContact O-N 3.43Å
774G36.8Very low41.2Very low79 Ų79119.3 Ų119.381%0.81477%0.769SS**  trans171.2142.6167.200000116.5
775G37.4Very low39.7Very low82 Ų82124.9 Ų124.985%0.84578%0.781SS**  trans78.395.115500000117.9
776I34.9Very low38.4Very low177 Ų177130 Ų13091%0.90880%0.796SS**  trans-84.7124.4167-61.6167.1000110
777S39.4Very low37.2Very low119 Ų119130.3 Ų130.383%0.83281%0.806SS**  trans-157157.3150.265.10000111.9
778R34.1Very low36.2Very low255 Ų255134.9 Ų134.996%0.96282%0.82SS**  trans-98.6145.4-173.9-68159.2136.2173.1-7.4110.9
779G33.9Very low35.5Very low78 Ų78137 Ų13780%0.80483%0.832SS**  trans-175.790.5172.700000118.9
780S37.2Very low34.7Very low122 Ų122138.1 Ų138.185%0.85384%0.843SS**  trans39.994.8147.4-148.80000122.5
781R31.3Very low34.2Very low240 Ų240142 Ų14291%0.90685%0.85SS**  trans-22.2118.7143.4-177.7-166.7-153.7178.37.4117
782K34.8Very low33.8Very low207 Ų207144.4 Ų144.490%0.985%0.846SS**  trans-159.5168.1146.5-116.2166.6-173.31770113.8
783Q32.2Very low34.3Very low176 Ų176145.5 Ų145.582%0.82284%0.839SS**  trans-96.4168.4-163.2-56.4162.1-54.200114.8
784R31.8Very low34.5Very low239 Ų239147.1 Ų147.190%0.90284%0.835SS**  trans113.6152.8152.4-65.7171.2173.7-164.2-3.1114.5
785K30.9Very low34.4Very low180 Ų180150.8 Ų150.878%0.78383%0.83SS**  cis-173.5118.1-31.9172.1-177.4174-174.60105.8
786M33Very low34.5Very low178 Ų178153.7 Ų153.788%0.87783%0.826SS**  trans44.8124.5166.5-74.9171.3153.400120
787G32.4Very low34.6Very low76 Ų76149.6 Ų149.678%0.78481%0.811SS**  trans-144.3126.3155.700000109.1
788N31.4Very low34.5Very low171 Ų171147.3 Ų147.391%0.91479%0.793SS**  trans-77.6137.4-178.3-78.1-15.9000111.3
789A34.8Very low34.8Very low98 Ų98140.1 Ų140.181%0.8177%0.773SS**  trans-135.6113.4162.400000108.3
790G29Very low35.1Very low82 Ų82140.2 Ų140.285%0.84575%0.754SS**  trans-73.2135-177.700000112.1
791L34.2Very low35.3Very low173 Ų173137.3 Ų137.391%0.90673%0.734SS**  trans-118.791.8165.9-87.5164.8000108
792E34.6Very low35.6Very low143 Ų143131.4 Ų131.467%0.66872%0.72SS**  trans-69.3131.9170.8-163.7-173-169.900109.4Q795E792-Q795 PolarHBondContact OE1-NE2 3.45Å
793P44.1Very low35.7Very low98 Ų98131 Ų13164%0.63672%0.718SS**  trans-68.4146.8168.230.6-34.1000109.7Q795P793-Q795 PolarHBondContact O-N 3.25Å
794P37.4Very low35.8Very low116 Ų116126 Ų12675%0.75371%0.708SS**  trans-63.5114.6-177.826.3-34.2000110.8L796P794-L796 PolarHBondContact O-N 2.83Å
795Q34.3Very low35.9Very low156 Ų156117.4 Ų117.473%0.72969%0.693SS**  trans-61.2124.5171.2-59.6-169.921.200109.1E792 P793E792-Q795 PolarHBondContact OE1-NE2 3.45Å; P793-Q795 PolarHBondContact O-N 3.25Å
796L39.1Very low36.2Very low143 Ų143114.8 Ų114.875%0.74969%0.688SS**  trans-109142.3171.3-73.6171.5000108.1P794P794-L796 PolarHBondContact O-N 2.83Å
797P36.3Very low36.6Very low92 Ų92114 Ų11460%0.59768%0.682SS**  trans-64.3149-174.226.9-35.2000111.8
798P37.1Very low37.3Very low70 Ų70114.6 Ų114.646%0.45567%0.67SS.*  trans-62.2154.7179.425.4-34.1000112.3A138 L800 S801A138-P798 HydrophobicContact CB-CB 4.32Å; P798-L800 PolarHBondContact O-N 2.92Å; P798-S801 WeakPolarHBondContact O-CB 3.25Å; P798-S801 PolarHBondContact O-N 2.75Å; P798-S801 PolarHBondContact O-OG 3.05Å
799I40.9Very low37.9Very low105 Ų105113.6 Ų113.654%0.53865%0.654SS.*G310 helixtrans-62.3-20-167.4-69.3172.2000113.5T262 S801 L802T262-I799 HydrophobicContact CG2-CD1 4.02Å; I799-S801 PolarHBondContact O-N 3.4Å; I799-S801 VanDerWaalsContact O-N 3.09Å; I799-L802 WeakPolarHBondContact O-CB 3.32Å; I799-L802 PolarHBondContact O-N 2.97Å
800L40.4Very low38.4Very low79 Ų79113.4 Ų113.441%0.41464%0.643SS.*G310 helixtrans-56.5-22.8171.5-77.4169000113.8P798 L802P798-L800 PolarHBondContact O-N 2.92Å; L800-L802 PolarHBondContact O-N 3.26Å
801S40.4Very low38.9Very low62 Ų62115.7 Ų115.743%0.43464%0.635SS.*G310 helixtrans-64.8-12.3172.5580000114.6P798 I799 F803 A804P798-S801 WeakPolarHBondContact O-CB 3.25Å; P798-S801 PolarHBondContact O-N 2.75Å; P798-S801 PolarHBondContact O-OG 3.05Å; I799-S801 PolarHBondContact O-N 3.4Å; I799-S801 VanDerWaalsContact O-N 3.09Å; S801-F803 PolarHBondContact O-N 3.09Å; S801-A804 PolarHBondContact O-N 3.01Å
802L38.1Very low39.5Very low115 Ų115114.3 Ų114.360%0.60262%0.624SS**G310 helixtrans-65.7-20-178.9-164.869.1000113.8I799 L800 R809I799-L802 WeakPolarHBondContact O-CB 3.32Å; I799-L802 PolarHBondContact O-N 2.97Å; L800-L802 PolarHBondContact O-N 3.26Å; L802-R809 VanDerWaalsContact CD1-NH2 3.33Å
803F37.9Very low39.8Very low198 Ų198110 Ų11087%0.86861%0.612SS**G310 helixtrans-87-1.8177.3-74.9-82.6000114.2S801S801-F803 PolarHBondContact O-N 3.09Å
804A33.5Very low39.6Very low73 Ų73108 Ų10860%0.60361%0.605SS**SBendtrans-112.2100.4-17400000113.7S801S801-A804 PolarHBondContact O-N 3.01Å
805G32.9Very low39.8Very low57 Ų57104.5 Ų104.559%0.58859%0.586SS**  trans68109.3153.500000118.3Q807G805-Q807 PolarHBondContact O-N 3.23Å
806D38.4Very low40.2Very low126 Ų12699.3 Ų99.367%0.67457%0.569SS**THydrogen-bonded Turntrans-7115-178.7-149.927.2000115.2R809D806-R809 IonicContact OD1-NH1 3.09Å
807Q40.5Very low40.3Very low161 Ų16199.2 Ų99.275%0.75257%0.569SS**THydrogen-bonded Turntrans-87.6-25.9-179.9-64.9-169-0.500114G805 R809 T810G805-Q807 PolarHBondContact O-N 3.23Å; Q807-R809 PolarHBondContact O-N 3.09Å; Q807-T810 PolarHBondContact O-OG1 2.86Å; Q807-T810 VanDerWaalsContact O-OG1 3.06Å
808T46.9Very low40.5Very low88 Ų88105 Ų10554%0.5458%0.579SS.*Hα-helixtrans-69.3-34.9-178.153.50000112.6T810 Q812T808-T810 PolarHBondContact O-N 3.38Å; T808-Q812 PolarHBondContact O-N 3.45Å; T808-Q812 VanDerWaalsContact O-N 3.14Å
809R44Very low40.4Very low150 Ų150107.7 Ų107.757%0.56659%0.589SS**Hα-helixtrans-68.1-30.3-175.5-74.7176.9165.6162-1.6114.1L802 D806 Q807 A813L802-R809 VanDerWaalsContact CD1-NH2 3.33Å; D806-R809 IonicContact OD1-NH1 3.09Å; Q807-R809 PolarHBondContact O-N 3.09Å; R809-A813 VanDerWaalsContact O-CB 3.3Å; R809-A813 WeakPolarHBondContact O-CB 3.38Å; R809-A813 PolarHBondContact O-N 3.44Å
810T45.4Very low40.1Very low95 Ų95112.5 Ų112.558%0.58360%0.602SS**Hα-helixtrans-75.3-43.6178.856.40000111.4Q807 T808 A813 A814Q807-T810 PolarHBondContact O-OG1 2.86Å; Q807-T810 VanDerWaalsContact O-OG1 3.06Å; T808-T810 PolarHBondContact O-N 3.38Å; T810-A813 PolarHBondContact O-N 3.13Å; T810-A814 WeakPolarHBondContact O-CB 3.45Å; T810-A814 PolarHBondContact O-N 3.11Å
811L40.8Very low39.8Very low129 Ų129112.9 Ų112.968%0.67562%0.616SS**Hα-helixtrans-66-44.8178-71.6172.1000112.2A813 A814 A815L811-A813 PolarHBondContact O-N 3.25Å; L811-A814 PolarHBondContact O-N 3.28Å; L811-A815 WeakPolarHBondContact O-CB 3.38Å; L811-A815 PolarHBondContact O-N 3.23Å
812Q45.9Very low39.3Very low144 Ų144121 Ų12167%0.67364%0.637SS**Hα-helixtrans-65.7-36.5176.6-76-172.8-22.400112.8T808 A815 A816T808-Q812 PolarHBondContact O-N 3.45Å; T808-Q812 VanDerWaalsContact O-N 3.14Å; Q812-A815 PolarHBondContact O-N 2.87Å; Q812-A816 VanDerWaalsContact O-CB 3.29Å; Q812-A816 WeakPolarHBondContact O-CB 3.31Å; Q812-A816 PolarHBondContact O-N 3.07Å
813A41.8Very low38.8Very low52 Ų52127 Ų12743%0.4365%0.652SS.*Hα-helixtrans-67.6-38174.700000112.8R809 T810 L811 N817R809-A813 VanDerWaalsContact O-CB 3.3Å; R809-A813 WeakPolarHBondContact O-CB 3.38Å; R809-A813 PolarHBondContact O-N 3.44Å; T810-A813 PolarHBondContact O-N 3.13Å; L811-A813 PolarHBondContact O-N 3.25Å; A813-N817 PolarHBondContact O-N 2.91Å; A813-N817 PolarHBondContact O-ND2 3.47Å
814A39.5Very low38.8Very low58 Ų58122.7 Ų122.748%0.47965%0.647SS.*Hα-helixtrans-68.7-37.3174.300000112.4T810 L811 R818T810-A814 WeakPolarHBondContact O-CB 3.45Å; T810-A814 PolarHBondContact O-N 3.11Å; L811-A814 PolarHBondContact O-N 3.28Å; A814-R818 PolarHBondContact O-N 3.14Å
815A41.1Very low38.8Very low42 Ų42124.5 Ų124.535%0.34765%0.65SS.*Hα-helixtrans-69.2-47175.500000112.1L811 Q812 N817 R818 L819L811-A815 WeakPolarHBondContact O-CB 3.38Å; L811-A815 PolarHBondContact O-N 3.23Å; Q812-A815 PolarHBondContact O-N 2.87Å; A815-N817 VanDerWaalsContact C-N 3.33Å; A815-N817 PolarHBondContact O-N 3.47Å; A815-R818 CarbonylContact O-C 3.3Å; A815-R818 WeakPolarHBondContact O-CA 3.49Å; A815-R818 PolarHBondContact O-N 3.08Å; A815-L819 HydrophobicContact CB-CD1 4.4Å; A815-L819 WeakPolarHBondContact O-CB 3.44Å; A815-L819 WeakPolarHBondContact O-CG 3.38Å; A815-L819 PolarHBondContact O-N 2.93Å
816A42.8Very low38.8Very low46 Ų46129.2 Ų129.238%0.3866%0.66SS.*Hα-helixtrans-58.7-43.3179.400000112.3Q812 R818 L819 Y820Q812-A816 VanDerWaalsContact O-CB 3.29Å; Q812-A816 WeakPolarHBondContact O-CB 3.31Å; Q812-A816 PolarHBondContact O-N 3.07Å; A816-R818 PolarHBondContact O-N 3.25Å; A816-L819 PolarHBondContact O-N 3.37Å; A816-Y820 PolarHBondContact O-N 3.2Å
817N42.3Very low38.5Very low141 Ų141129.6 Ų129.675%0.75467%0.667SS**Hα-helixtrans-72.7-10.3175.7-72.4-36.3000114.1A813 A815A813-N817 PolarHBondContact O-N 2.91Å; A813-N817 PolarHBondContact O-ND2 3.47Å; A815-N817 VanDerWaalsContact C-N 3.33Å; A815-N817 PolarHBondContact O-N 3.47Å
818R39.4Very low38.1Very low214 Ų214125.2 Ų125.281%0.80867%0.665SS**Hα-helixtrans-97.8-17.1168.5-77.9-177.7166.6-171.2-3.6113.5A814 A815 A816A814-R818 PolarHBondContact O-N 3.14Å; A815-R818 CarbonylContact O-C 3.3Å; A815-R818 WeakPolarHBondContact O-CA 3.49Å; A815-R818 PolarHBondContact O-N 3.08Å; A816-R818 PolarHBondContact O-N 3.25Å
819L35.9Very low37.5Very low127 Ų127128.6 Ų128.667%0.66568%0.678SS**Hα-helixtrans-93.2-20.2-175.6-78.6164.5000114.4A815 A816 A821A815-L819 HydrophobicContact CB-CD1 4.4Å; A815-L819 WeakPolarHBondContact O-CB 3.44Å; A815-L819 WeakPolarHBondContact O-CG 3.38Å; A815-L819 PolarHBondContact O-N 2.93Å; A816-L819 PolarHBondContact O-N 3.37Å; L819-A821 PolarHBondContact O-N 3.47Å
820Y34.7Very low37Very low205 Ų205126.6 Ų126.680%0.80469%0.687SS**THydrogen-bonded Turntrans-77.79173.3-93.3-91.4000114.8A816A816-Y820 PolarHBondContact O-N 3.2Å
821A34.5Very low36.9Very low87 Ų87126.9 Ų126.972%0.71969%0.69SS**THydrogen-bonded Turntrans-117.716-178.400000114.4L819L819-A821 PolarHBondContact O-N 3.47Å
822R29.2Very low36.5Very low232 Ų232127.7 Ų127.788%0.87570%0.701SS**  trans-152.2159.6174.4-99.8-177.7173.6-167-3111.7
823R28.5Very low35.8Very low243 Ų243124.7 Ų124.792%0.91771%0.708SS**  trans88.669157.2-151.9-177.2-162.9-139.45.7119.8
824S35.9Very low35.4Very low107 Ų107125.7 Ų125.775%0.74872%0.724SS**  -85.7151.4122.454.60000108.1
825T34.8Very low35Very low111 Ų111128.3 Ų128.368%0.68175%0.746SS**  cis-159.1139-2.510.20000106
826I32.7Very low34.6Very low155 Ų155130.7 Ų130.780%0.79577%0.766SS**  55129.198-67.6-178.4000113.6
827V31.9Very low34.2Very low135 Ų135135.1 Ų135.182%0.81879%0.788SS**  cis-164.4158.5-4.2126.70000108.7
828G32.9Very low33.8Very low68 Ų68132.8 Ų132.870%0.70179%0.789SS**  trans153.986.416000000120.7
829I33.6Very low33.9Very low160 Ų160128.3 Ų128.382%0.82179%0.787SS**  trans12.6119.7135.9-51.8152.4000116.6
830S33.8Very low33.9Very low108 Ų108126.9 Ų126.976%0.75579%0.794SS**  cis77.1154.948.7-1520000114.2
831P42.2Very low33.9Very low100 Ų100121.4 Ų121.465%0.64979%0.791SS**  cis-135-167.50.541.6-22000116
832T33.5Very low33.8Very low146 Ų146128.8 Ų128.890%0.89680%0.8SS**  trans65.6153.8167.161.70000117.6
833G31.5Very low34.2Very low81 Ų81122.2 Ų122.284%0.83579%0.789SS**  cis159.7158.5-2.600000109
834G32.4Very low34.5Very low74 Ų74118 Ų11876%0.76378%0.784SS**  cis173.4161.7-6.100000111.4
835A32.4Very low34.3Very low113 Ų113119.7 Ų119.793%0.93478%0.784SS**  trans65.8160.5-176.400000115.7
836A32.1Very low34.4Very low92 Ų92122.7 Ų122.776%0.7679%0.79SS**  cis-141.7178.1-6.500000108.2
837T34.9Very low34.7Very low138 Ų138120.3 Ų120.385%0.84779%0.785SS**  cis-136.2171.610.1390000111.4
838A33.9Very low35.2Very low93 Ų93119.8 Ų119.877%0.76979%0.785SS**  trans-121.6-161.4175.600000108.8
839P40.3Very low35.5Very low119 Ų119122.7 Ų122.777%0.77379%0.791SS**  cis-139.7-152.9-342.5-21.2000114.1
840A35.4Very low35.4Very low98 Ų98120.6 Ų120.681%0.8179%0.791SS**  trans80.4135.3167.800000117.4
841A36.1Very low35.3Very low89 Ų89125.7 Ų125.774%0.73680%0.795SS**  cis-157.3169.1-11.100000112.4
842R32.2Very low34.9Very low242 Ų242126 Ų12691%0.91380%0.795SS**  trans25.1141.5141.9-69.1173.1175.5162.9-3.1119.5
843S37.3Very low34.8Very low94 Ų94127.2 Ų127.266%0.65779%0.791SS**  cis179163.6743.40000111.7
844L34.1Very low35Very low154 Ų154134.5 Ų134.581%0.80679%0.793SS**  trans67133.6167.1-60158.3000114.9
845L32.4Very low35.2Very low144 Ų144135.2 Ų135.275%0.75479%0.792SS**  cis84.399.838.1-16782.4000113.6
846E37.1Very low35.4Very low173 Ų173134 Ų13481%0.80878%0.781SS**  trans-177.6180134.8-131.998.1161.900107.8
847P39.4Very low35.6Very low106 Ų106136.1 Ų136.169%0.68878%0.78SS**  trans-114.8-179.9-156.814.814.6000113.5
848P41.4Very low35.8Very low124 Ų124137.4 Ų137.481%0.80578%0.776SS**  trans-75128.3178.629.2-34.8000113.3
849P40.3Very low36Very low129 Ų129137.2 Ų137.284%0.83877%0.769SS**  trans-84178172.235.9-36000112.3
850S30.2Very low35.9Very low116 Ų116139.4 Ų139.481%0.81177%0.769SS**  trans-134.9150.7-178.463.20000113.4
851Y31.9Very low36Very low214 Ų214141.4 Ų141.484%0.83977%0.765SS**  trans92.1148157.7-153.9-117.9000120.8
852T35.3Very low35.9Very low107 Ų107143 Ų14366%0.65677%0.766SS**  trans84.6155.6160.611.70000123.8
853E31.2Very low36.1Very low172 Ų172136.2 Ų136.280%0.80476%0.762SS**  trans-85.4168.8-168.8-48.6164.198.700115.1
854R34Very low36Very low234 Ų234135.1 Ų135.188%0.88377%0.765SS**  155.9168.7106.5-165.9159.9-177151.30.4114.4
855A36.7Very low36.4Very low89 Ų89133.7 Ų133.774%0.73677%0.765SS**  trans79.8125.2175.300000115.7
856A37.3Very low36.6Very low86 Ų86132.1 Ų132.171%0.71177%0.766SS**  cis86.714829.300000113.8
857N37Very low36.6Very low137 Ų137131.6 Ų131.673%0.73377%0.768SS**  cis-114.2-133.217.1-47.4-53.5000112.5
858Q38.6Very low36.5Very low166 Ų166131.4 Ų131.478%0.77678%0.776SS**  cis-156.3-146.61.6-145.5150.3-64.700113.9
859S37.8Very low36.4Very low89 Ų89131.4 Ų131.462%0.62278%0.776SS**  trans-66.6162.2-176.639.80000117.2
860Q38.4Very low36.2Very low164 Ų164132 Ų13277%0.76678%0.777SS**  cis-165.6155.26.2-119.4171.51.400111.1
861I37Very low36.7Very low141 Ų141131.9 Ų131.972%0.72377%0.771SS**  trans53.4140.2141.8-66.1165.1000120.1
862T34.5Very low37Very low122 Ų122129.7 Ų129.775%0.74877%0.769SS**  cis-167.2173.5-15.5-840000108.3
863A36.2Very low37.1Very low100 Ų100129.2 Ų129.283%0.82677%0.77SS**  trans-32.2162.3177.300000119.4
864G35.3Very low37.4Very low70 Ų70130.6 Ų130.672%0.72277%0.773SS**  cis-170.7-160.119.900000115.1
865P43.6Very low37.6Very low124 Ų124127.9 Ų127.981%0.80577%0.768SS**  trans-117.4161-15641-33.5000117.7
866S36.6Very low37.6Very low111 Ų111131.7 Ų131.778%0.77676%0.763SS**  170.1140.8119.749.60000117.2
867N36.9Very low37.4Very low162 Ų162136.8 Ų136.887%0.86676%0.764SS**  trans33.8118.2146.3-59.3-12.6000124.4
868A36.6Very low37.2Very low102 Ų102141.9 Ų141.984%0.84377%0.773SS**  trans-155132.4143.800000111.4
869P38.6Very low37Very low124 Ų124142.6 Ų142.681%0.80577%0.774SS**  trans-126.3122.4-175.337.8-23.8000117.1
870T37.1Very low36.8Very low142 Ų142143.8 Ų143.887%0.87178%0.783SS**  trans-172.4157.5163.125.90000109.2
871V39.4Very low36.7Very low113 Ų113141.9 Ų141.969%0.68578%0.782SS**  cis-179141-24.8122.50000107.5
872Q38.5Very low36.6Very low169 Ų169145.7 Ų145.779%0.7979%0.787SS**  trans60.7102.5158.8-70173.225.300125.1
873S38.2Very low36.7Very low97 Ų97145.9 Ų145.968%0.67879%0.791SS**  73.4127.2120.9840000123.7
874K37Very low36.8Very low201 Ų201147 Ų14787%0.87479%0.787SS**  -174.1161.5115.5-98.2153.8-171.4165.30113.9
875F38.4Very low36.9Very low176 Ų176148.1 Ų148.177%0.77279%0.789SS**  trans-24.2154.1168.9-96.8-145.9000119.1
876R36.8Very low36.5Very low169 Ų169150.5 Ų150.564%0.63880%0.795SS**  cis-164.2140-0.9-144.8-173.1-168.8177.52.9111.9
877R33Very low36.5Very low194 Ų194153.9 Ų153.973%0.73280%0.798SS**  trans5085.3157.3-72.1175-177.9-173.8-1.5118.7
878R32.2Very low36.7Very low243 Ų243153.5 Ų153.592%0.91779%0.794SS**  -100.5152.2123.6-76.7-174.7172.8-144.70.9107.9
879F34Very low37.2Very low182 Ų182154 Ų15480%0.79879%0.789SS**  trans-133.9108.3168.8-100.4-78.3000109.9V881F879-V881 HydrophobicContact CD1-CG2 4.03Å; F879-V881 HydrophobicContact CE1-CG2 4.43Å
880S34.2Very low37Very low114 Ų114154.5 Ų154.580%0.79779%0.792SS**  trans-135.2111.7167.950.50000105.8
881V36.5Very low37Very low124 Ų124151 Ų15175%0.75279%0.785SS**  trans-125.1134.6-177.4179.10000109.5F879F879-V881 HydrophobicContact CD1-CG2 4.03Å; F879-V881 HydrophobicContact CE1-CG2 4.43Å
882R34.4Very low36.9Very low220 Ų220154.6 Ų154.683%0.8379%0.794SS**  trans-50149.4-171-63.9166169.1149-5.8115.3
883P36.9Very low36.7Very low127 Ų127151.1 Ų151.183%0.82579%0.794SS**  trans-79.6137.4148.834.7-30.3000110.6
884T38.7Very low37.2Very low123 Ų123152.1 Ų152.176%0.75580%0.798SS**  trans-157.4108.7164.414.80000105.4
885A36.6Very low37.5Very low93 Ų93148.4 Ų148.477%0.76980%0.795SS**  85.1105.479.400000112.1
886L35.4Very low37.3Very low175 Ų175146.6 Ų146.692%0.91680%0.801SS**  trans-147.1137.3155.7-123.7163.1000106.6
887Q36.8Very low37.3Very low182 Ų182142 Ų14285%0.8581%0.806SS**  trans-141.2118-151.8172.2-178.6-15.700109.2
888I42.4Very low37.4Very low153 Ų153137.2 Ų137.279%0.78581%0.808SS**  trans-136.2136.7179-62.3-175.7000106.8
889P46.1Very low37.5Very low112 Ų112130.5 Ų130.573%0.72780%0.799SS**  trans-86.3165.9-155.233.8-37.9000115.1
890P34.6Very low37.6Very low135 Ų135129 Ų12988%0.87780%0.798SS**  trans-72.6143.5169.231.8-35.1000111.9
891G36.9Very low37.6Very low69 Ų69131 Ų13171%0.71180%0.797SS**  trans-129.9152.2171.100000111
892Q37.4Very low37.4Very low188 Ų188130 Ų13088%0.87978%0.784SS**PPolyproline II helixtrans-71.7154.9-173.3-64.7109.4-41.200114.1
893A35.2Very low37.3Very low97 Ų97125.3 Ų125.380%0.80277%0.771SS**PPolyproline II helixtrans-95.5135.3167.700000111.1
894P46.9Very low37Very low117 Ų117123 Ų12376%0.7676%0.758SS**PPolyproline II helixtrans-87.3159.216534.5-32.2000112.1
895P43.8Very low36.8Very low124 Ų124121.7 Ų121.781%0.80575%0.754SS**PPolyproline II helixtrans-79.2165.5-178.232.9-36.2000114
896P33.7Very low36.7Very low137 Ų137125.5 Ų125.589%0.8976%0.756SS**PPolyproline II helixtrans-89.7153.4-170.135.3-36.4000115
897G36.7Very low36.6Very low73 Ų73123.5 Ų123.575%0.75375%0.751SS**  trans-176.9155.2167.500000114.3
898A36.9Very low36.4Very low94 Ų94119.6 Ų119.678%0.77775%0.75SS**  trans62.8100.2162.100000121
899S34.4Very low36Very low102 Ų102119.8 Ų119.871%0.71375%0.751SS**  63.9124.4124.563.60000124.5
900L34.4Very low35.5Very low149 Ų149120.7 Ų120.778%0.7875%0.746SS**  trans76.1120.3136.2-65.9166.9000122.3
901M34.4Very low35.4Very low157 Ų157124.3 Ų124.377%0.77374%0.742SS**  trans65144139.6-64.7178.274.500119.8
902E32.6Very low35.2Very low103 Ų103132.6 Ų132.648%0.48175%0.752SS.*  cis-155173.3-18.5-143.4-162.6125.800110.2K983E902-K983 VanDerWaalsContact CD-NZ 3.26Å; E902-K983 WeakPolarHBondContact OE1-CE 3.47Å; E902-K983 IonicContact OE1-NZ 2.74Å; E902-K983 PolarHBondContact OE1-NZ 3.24Å; E902-K983 IonicContact OE2-NZ 3.35Å; E902-K983 PolarHBondContact OE2-NZ 3.09Å; E902-K983 VanDerWaalsContact OE2-NZ 3.09Å
903Q32.2Very low35.1Very low122 Ų122131.6 Ų131.657%0.5775%0.752SS**  trans64.6100.7155.4-83.3167.4-50.300123
904S32.1Very low35.2Very low78 Ų78132.2 Ų132.255%0.54575%0.75SS.*  trans80.4152.5134.27.60000119.4R982S904-R982 VanDerWaalsContact CA-NH2 3.3Å
905S33.8Very low34.6Very low95 Ų95134.5 Ų134.566%0.66476%0.755SS**  cis-166.5174-14.236.80000110.1
906Q34.8Very low34.1Very low174 Ų174140 Ų14081%0.81376%0.76SS**  trans68.3102.6172.2-62.8179.33.900115.5
907T31.8Very low34.3Very low133 Ų133138.9 Ų138.982%0.81675%0.752SS**  66.593.681.661.70000117.1
908A34.2Very low34.2Very low100 Ų100140.3 Ų140.383%0.82675%0.751SS**  trans-166.9109.5145.700000114.7
909L32.6Very low34.1Very low156 Ų156141.2 Ų141.282%0.81775%0.749SS**  trans20.3110.8131.6-79.8170.7000120.4
910Q35.5Very low34Very low132 Ų132144.1 Ų144.162%0.61776%0.755SS**  160.4151.1104.1-93.4163.439.900118
911R33.6Very low34.1Very low210 Ų210141.1 Ų141.179%0.79275%0.753SS**  trans52.4119.7146.7-66.8-179.4-85.9170.3-5.5117.9
912R33.1Very low34.1Very low243 Ų243143.9 Ų143.992%0.91775%0.754SS**  -163.3165.673.3-92.6-175.2173.4-1220.9113.6
913L34Very low34.1Very low168 Ų168146.2 Ų146.288%0.8877%0.765SS**  trans-89.4140.6166-55.185.3000110.8
914S37.3Very low34.4Very low109 Ų109147.3 Ų147.376%0.76277%0.774SS**  177.5123.6126.355.20000113.9
915L35.4Very low34.6Very low166 Ų166148.4 Ų148.487%0.86978%0.782SS**  trans31.9122.7136.8-56.5169.7000121.3
916R33.8Very low35.1Very low240 Ų240149.5 Ų149.591%0.90679%0.787SS**  trans18.5155.6133.1-96.7-177.8172.3158.8-1.9121.4
917P36.4Very low35.5Very low112 Ų112147.2 Ų147.273%0.72779%0.785SS**  cis-137.5-175.25.938.9-18000116.9
918S34.7Very low36.2Very low104 Ų104145.8 Ų145.873%0.72778%0.78SS**  trans-60.3166.3163.551.80000113.8
919P36.1Very low36.7Very low112 Ų112146.9 Ų146.973%0.72778%0.779SS**  cis-149.8-15440.940.4-15.6000117
920L32.3Very low37.4Very low163 Ų163145.6 Ų145.685%0.85378%0.78SS**  trans73.4168.7-177.2-82.875.7000116.8
921A35.4Very low37.6Very low87 Ų87143.4 Ų143.472%0.71979%0.793SS**  175.2140-72.700000112.4
922R33.7Very low37.9Very low214 Ų214137.4 Ų137.481%0.80880%0.797SS**  trans80.5161.3162-148.2-179.5179117.31.9117.3
923E34.2Very low38.1Very low152 Ų152131.9 Ų131.971%0.7180%0.795SS**  trans75.8141.4175.4-50.7-113.2114.700114.5
924L38.6Very low38.4Very low145 Ų145127.4 Ų127.476%0.75979%0.789SS**  cis-151.2167.5-6-122.1169.3000110
925S35.5Very low38.5Very low101 Ų101127.9 Ų127.971%0.70679%0.793SS**  trans-131.7139.5179.754.40000111.8
926P44.9Very low38.6Very low118 Ų118124 Ų12477%0.76679%0.785SS**  trans-90.3133.8-169.534-34.9000115.6
927T41.5Very low39Very low126 Ų126120.8 Ų120.877%0.77379%0.785SS**  trans23.7137.1133.758.90000119.2
928S46.5Very low39.5Very low104 Ų104121 Ų12173%0.72779%0.786SS**  168176.852.4240000110
929P46.2Very low39.7Very low122 Ų122120.9 Ų120.979%0.79279%0.791SS**  cis-131.4-152.3-41.647.3-29.1000109.5
930P47.3Very low39.8Very low130 Ų130119.3 Ų119.384%0.84480%0.795SS**  trans-135-176.8-143.640.1-16.7000118.7
931G40Very low40.1Very low86 Ų86115.6 Ų115.689%0.88779%0.788SS**  trans120.8134.2145.300000118.2
932G38.1Very low40.6Very low84 Ų84118.8 Ų118.887%0.86679%0.791SS**  trans148.4136173.900000112.3
933S39.3Very low40.9Very low126 Ų126115 Ų11588%0.88179%0.787SS**  trans-139.6141.9-164.859.40000116.1
934G39.2Very low41.3Very low74 Ų74115.8 Ų115.876%0.76379%0.791SS**  trans93.4159.5166.700000115.2
935S39Very low41.3Very low120 Ų120114.5 Ų114.584%0.83979%0.794SS**  cis-178.3154.5-17.641.90000110.1
936A38.5Very low41.4Very low85 Ų85113.1 Ų113.170%0.70280%0.795SS**  trans74.595.6158.700000121.6
937L42Very low41.1Very low172 Ų172110.6 Ų110.690%0.90179%0.791SS**  71.6160.9117.5-67.2170.6000122.1
938P47.6Very low41.1Very low117 Ų117111.2 Ų111.276%0.7680%0.795SS**  trans-132.3-175.6-151.645.8-30.9000115.8
939A38.2Very low40.8Very low101 Ų101111.7 Ų111.784%0.83580%0.798SS**  trans-167.6142144.100000114.7
940G38.5Very low40.5Very low78 Ų78110.4 Ų110.480%0.80480%0.798SS**  trans83.4156.6153.300000119.5
941A39.3Very low40Very low85 Ų85112.7 Ų112.770%0.70280%0.797SS**  cis-170.4134.5-1800000111.6
942I44.1Very low39.8Very low154 Ų154120 Ų12079%0.7980%0.798SS**  trans67.6139.8142.6-60.4169.2000115.8
943D41.7Very low39.7Very low134 Ų134122.5 Ų122.572%0.71779%0.791SS**  cis-148.7-176.525.5-135.7-26000116
944E40.8Very low39.8Very low170 Ų170122.9 Ų122.979%0.79478%0.782SS**  trans-24.5159.4165.5-73.7179.3172.700120.2
945S39.8Very low39.9Very low117 Ų117124.9 Ų124.982%0.81878%0.782SS**  cis-168.6-173.9-14.462.90000107.8
946G37.7Very low39.7Very low72 Ų72126.1 Ų126.174%0.74278%0.778SS**  cis173.7169-000000112.1
947G39Very low39.8Very low65 Ų65127.6 Ų127.667%0.6778%0.78SS**  trans88.4100.7169.100000117.8
948T40.4Very low39.5Very low139 Ų139124.3 Ų124.385%0.85378%0.778SS**  69.3125.978.862.70000114.8
949S41.1Very low38.8Very low115 Ų115122.5 Ų122.580%0.80478%0.781SS**  cis-162.9162.818.1-920000115.1
950A39.6Very low38.6Very low94 Ų94124.3 Ų124.378%0.77778%0.782SS**  trans57.5130.7157.600000120.4
951Q36Very low38.2Very low179 Ų179130.9 Ų130.984%0.83678%0.782SS**  cis114.499.310.3-76.9-167.70.900115.8
952R35.4Very low37.7Very low240 Ų240132.7 Ų132.791%0.90679%0.787SS**  trans-179.8114140.4-101.4172.2-175.8-1731.4107.1
953L37.4Very low37.2Very low136 Ų136130.8 Ų130.871%0.71279%0.787SS**  59.2129.258.6-51.7174000112.4
954L41.5Very low36.6Very low134 Ų134131.2 Ų131.270%0.70280%0.795SS**  cis-169.6180-5.5-105.8175.2000106.1L956L954-L956 HydrophobicContact CD2-CD1 4.14Å
955P39.8Very low36.2Very low116 Ų116128.5 Ų128.575%0.75380%0.795SS**  cis-131.6-174.6-3.535.7-13.8000116.5
956L36.1Very low36Very low145 Ų145128.3 Ų128.376%0.75979%0.793SS**  trans-72-179.5174.7-80.894.1000113.4L954L954-L956 HydrophobicContact CD2-CD1 4.14Å
957P39.8Very low35.8Very low116 Ų116131.4 Ų131.475%0.75380%0.798SS**  cis-150.3171.42545-24000122
958A34.7Very low35.8Very low103 Ų103135 Ų13585%0.85180%0.797SS**  trans61.3119.6144.600000121.9
959G34.4Very low35.5Very low79 Ų79132.1 Ų132.181%0.81478%0.782SS**  trans180110.1161.700000112.8
960T32.8Very low35Very low140 Ų140133 Ų13386%0.85979%0.786SS**  trans-109.5123.8-172.944.40000113.8
961R30.3Very low34.6Very low215 Ų215136.1 Ų136.181%0.81179%0.788SS**  trans170.7152.3134-100.8177.4159.5-177.6-9.1112.9
962P29.8Very low34.5Very low124 Ų124130.6 Ų130.681%0.80577%0.77SS**  trans-81.4149164.634.6-33.3000111.1
963S32.8Very low34.4Very low113 Ų113130.7 Ų130.779%0.7977%0.77SS**  trans-149.4119.3165.660.60000113.2
964T28.8Very low34.2Very low143 Ų143130.3 Ų130.388%0.87777%0.767SS**  trans-51.5141.8167.945.80000113.6
965S33.5Very low34Very low113 Ų113129.8 Ų129.879%0.7977%0.77SS**  trans-151.691155.771.60000111.5T967S965-T967 PolarHBondContact O-N 2.9Å
966S34.4Very low33.7Very low113 Ų113133.1 Ų133.179%0.7978%0.775SS**  trans-66.1123.1170.653.90000111.1H968S966-H968 PolarHBondContact O-N 2.65Å; S966-H968 VanDerWaalsContact O-N 3.12Å
967T34.1Very low33.7Very low138 Ų138133.9 Ų133.985%0.84778%0.778SS**  trans-78.487.6171.745.70000110.5S965S965-T967 PolarHBondContact O-N 2.9Å
968H38Very low33.3Very low140 Ų140133.6 Ų133.665%0.64878%0.779SS**  trans-97.6146.4172.4-161-74.4000111.3S966 S972S966-H968 PolarHBondContact O-N 2.65Å; S966-H968 VanDerWaalsContact O-N 3.12Å; H968-S972 PolarHBondContact CE1-OG 2.86Å
969S35Very low33.5Very low78 Ų78138.4 Ų138.455%0.54578%0.784SS.*  trans-64146.9-179.555.10000113.4L971S969-L971 PolarHBondContact O-N 3.18Å
970P30.1Very low33.4Very low135 Ų135139.2 Ų139.288%0.87778%0.783SS**THydrogen-bonded Turntrans-90.143-171.937.9-38.4000114.5
971L32.1Very low33.6Very low158 Ų158141.2 Ų141.283%0.82778%0.782SS**THydrogen-bonded Turntrans-125.2-3178.2-87.6176000116.4S969S969-L971 PolarHBondContact O-N 3.18Å
972S34.8Very low33.9Very low64 Ų64138.4 Ų138.445%0.44877%0.772SS.*  trans-126.953.2-171.864.70000114.5H968H968-S972 PolarHBondContact CE1-OG 2.86Å
973R31.5Very low34.2Very low241 Ų241138.7 Ų138.791%0.90976%0.76SS**  trans-146.648.4175-125.5173.8-165176.86.2117.4
974I34.1Very low34.4Very low128 Ų128138.6 Ų138.666%0.65676%0.76SS**  trans-108.7145.1153.9-67.8176.6000108.1R36R36-I974 PolarHBondContact NH1-O 2.83Å; R36-I974 PolarHBondContact NH2-O 3.38Å
975V36.8Very low34.8Very low124 Ų124136.9 Ų136.975%0.75275%0.754SS**  trans78.884.2-169.4-168.20000114.7
976Q34.1Very low34.9Very low185 Ų185140.5 Ų140.586%0.86476%0.76SS**  trans-162.741.5144.8-127.3-179.612.600115.6
977I35.2Very low35.1Very low162 Ų162141 Ų14183%0.83176%0.761SS**SBendtrans-133.7143.7163.2-61.5-177.2000109.1
978S32.6Very low35.3Very low109 Ų109140.6 Ų140.676%0.76276%0.764SS**  trans59.269.4168.465.80000119
979Q37.6Very low35.2Very low204 Ų204138.6 Ų138.695%0.95377%0.771SS**  trans-141.285.3137.4-79.3-1542.200110.3
980A33.4Very low35.3Very low97 Ų97139.5 Ų139.580%0.80278%0.784SS**  trans-158.858.4175.800000112.4
981Q36.8Very low35.7Very low181 Ų181137.6 Ų137.685%0.84678%0.779SS**  trans-174.6147154.5-109.7177.224.800111.9
982R35.7Very low36Very low156 Ų156136.9 Ų136.959%0.58978%0.782SS**  trans83.7101.5-172.3-57.8166.4-178.2-95.1-15.8112.6S904S904-R982 VanDerWaalsContact CA-NH2 3.3Å
983K36.6Very low36.1Very low130 Ų130137.2 Ų137.257%0.56580%0.795SS**  81.2121.560.6-77.7-171.6166.2174.80112.3E902E902-K983 VanDerWaalsContact CD-NZ 3.26Å; E902-K983 WeakPolarHBondContact OE1-CE 3.47Å; E902-K983 IonicContact OE1-NZ 2.74Å; E902-K983 PolarHBondContact OE1-NZ 3.24Å; E902-K983 IonicContact OE2-NZ 3.35Å; E902-K983 PolarHBondContact OE2-NZ 3.09Å; E902-K983 VanDerWaalsContact OE2-NZ 3.09Å
984S36.3Very low36.4Very low112 Ų112131 Ų13178%0.78379%0.789SS**  trans58.5139.4159.247.60000118.7
985S37.2Very low36.8Very low107 Ų107131 Ų13175%0.74880%0.8SS**  cis-176.3140.2-5.944.70000110.8
986M36.1Very low37.1Very low188 Ų188129.2 Ų129.293%0.92681%0.806SS**  trans-172.9148.3134.3-106.7174.2177.400110.7
987P40Very low37.8Very low125 Ų125125 Ų12581%0.81280%0.804SS**  trans-100.1164.5-174.338.6-34.6000114
988S38.2Very low38.4Very low128 Ų128123.1 Ų123.190%0.89580%0.802SS**  trans-124.6143.3157.1-177.30000107.9
989A35.1Very low38.9Very low98 Ų98121.8 Ų121.881%0.8180%0.797SS**  trans-130.8145.5-167.700000112.7
990A36.2Very low39.2Very low97 Ų97121.3 Ų121.380%0.80280%0.795SS**  trans-157.2137167.100000110.4
991A38.8Very low39.6Very low95 Ų95130.1 Ų130.179%0.78582%0.815SS**  trans60.2138.5172.800000117.5
992T38.1Very low39.7Very low144 Ų144127.6 Ų127.688%0.88381%0.814SS**  cis-159.3134.2-1011.80000107.7
993G37.9Very low39.9Very low70 Ų70126.1 Ų126.172%0.72283%0.826SS**  trans175.390.5178.200000117.1
994S38.2Very low40.1Very low112 Ų112125.8 Ų125.878%0.78384%0.84SS**  trans46.4121.4151.458.90000122.7
995S41.5Very low40.3Very low127 Ų127126.6 Ų126.689%0.88884%0.843SS**  trans77.7147.414276.70000121
996G43.1Very low40.5Very low86 Ų86127.9 Ų127.989%0.88785%0.849SS**  trans103.5102163.500000116.2
997A48.4Very low40.8Very low98 Ų98123.9 Ų123.981%0.8184%0.844SS**  trans-128.9179.9166.600000108.2
998P47.6Very low40.9Very low121 Ų121123.8 Ų123.879%0.78685%0.847SS**  cis-136.4-161.3-2.540.7-20.8000114.1
999A44.6Very low41.1Very low81 Ų81123.5 Ų123.567%0.66984%0.843SS**  trans99.7117.6147.300000120.9
1000E42.7Very low41.6Very low194 Ų194125.6 Ų125.691%0.90785%0.846SS**  trans44.7107.8141.1-53.9-176.2134.700118.1
1001K42.2Very low42.1Very low282 Ų282128.2 Ų128.2100%1.22685%0.85SS**  -160.1058.9-156.7172.3-171.6174.70113.6

Retrieved 1,001 of 1,001 residues in 263 ms (Link to these results)