A0A3Q0KED2_SCHMA Loading...

Charged multivesicular body protein 7

AlphaFold DB , UniProt , Accession A0A3Q0KED2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 463 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
1M31.2Very low48.5Very low244 Ų244124.5 Ų124.5100%1.20270%0.698SS**  099.40-71.5156.914100105
2T32.9Very low51.4Low132 Ų132116.2 Ų116.281%0.8165%0.654SS**  -141.4141.252.739.10000111.8S4T2-S4 PolarHBondContact O-N 3.2Å
3D30.1Very low53.8Low126 Ų126118.8 Ų118.867%0.67467%0.665SS**  trans-72104.2-176.3-158.95000109.6K5D3-K5 VanDerWaalsContact C-N 3.29Å; D3-K5 PolarHBondContact O-N 3.12Å; D3-K5 IonicContact OD2-NZ 2.68Å; D3-K5 PolarHBondContact OD2-NZ 3.18Å
4S31.1Very low56.2Low114 Ų114115 Ų11580%0.79764%0.642SS**  trans-94.456.8171.4-52.80000109.6T2 S6T2-S4 PolarHBondContact O-N 3.2Å; S4-S6 PolarHBondContact O-N 3.5Å
5K31.5Very low58.1Low160 Ų160109.5 Ų109.570%0.69661%0.607SS**  trans-64119.1168.8-94.1170.2-175.3153.30108.4D3 A7D3-K5 VanDerWaalsContact C-N 3.29Å; D3-K5 PolarHBondContact O-N 3.12Å; D3-K5 IonicContact OD2-NZ 2.68Å; D3-K5 PolarHBondContact OD2-NZ 3.18Å; K5-A7 PolarHBondContact O-N 2.93Å; K5-A7 VanDerWaalsContact O-N 3.08Å
6S37.4Very low59.9Low112 Ų112111.1 Ų111.178%0.78361%0.614SS**  trans-32.3111.3167.154.30000111.5S4 G8S4-S6 PolarHBondContact O-N 3.5Å; S6-G8 PolarHBondContact O-N 2.74Å
7A45.7Very low61.7Low92 Ų92109.2 Ų109.276%0.7660%0.603SS**  trans-65.890.2168.800000107.9K5K5-A7 PolarHBondContact O-N 2.93Å; K5-A7 VanDerWaalsContact O-N 3.08Å
8G60.9Low63.2Low57 Ų57106.2 Ų106.259%0.58859%0.586SS**  trans-63.7139.3173.100000109.8S6 R10S6-G8 PolarHBondContact O-N 2.74Å; G8-R10 PolarHBondContact O-N 3.34Å
9F74.3Confident64.6Low40 Ų40107.4 Ų107.418%0.17559%0.591CS.*  trans-53.1122.8172.8-172.3-128.1000109.8L11 I49 S52 Y53 D56 H57 F71F9-L11 HydrophobicContact CD1-CD2 3.61Å; F9-L11 HydrophobicContact CD1-CG 3.83Å; F9-L11 HydrophobicContact CE1-CD2 3.52Å; F9-L11 HydrophobicContact CE1-CG 4.14Å; F9-L11 PolarHBondContact O-N 3.09Å; F9-L11 VanDerWaalsContact O-N 3.17Å; F9-I49 HydrophobicContact CE1-CG2 4.19Å; F9-I49 HydrophobicContact CZ-CG2 4.3Å; F9-S52 WeakPolarHBondContact CZ-OG 3.07Å; F9-Y53 HydrophobicContact CD1-CD2 4.25Å; F9-Y53 HydrophobicContact CD2-CD2 4.09Å; F9-Y53 HydrophobicContact CE1-CD2 4.4Å; F9-Y53 VanDerWaalsContact CE2-CA 3.44Å; F9-Y53 HydrophobicContact CE2-CD2 4.29Å; F9-Y53 HydrophobicContact CG-CD2 4.09Å; F9-Y53 HydrophobicContact CZ-CD2 4.44Å; F9-D56 HydrophobicContact CD2-CB 4.48Å; F9-H57 WeakPolarHBondContact CB-NE2 3.18Å; F9-H57 AromaticContact CD2-CD2 3.92Å; F9-H57 AromaticContact CD2-NE2 3.7Å; F9-H57 AromaticContact CG-NE2 3.79Å; F9-F71 HydrophobicContact CE1-CE1 4.27Å
10R77.3Confident65.9Low228 Ų228103.4 Ų103.486%0.8657%0.573SS**  trans-80.3101.3172.8-71.5-168-174.3-164.43.2108.9G8G8-R10 PolarHBondContact O-N 3.34Å
11L81.2Confident67.1Low64 Ų6498.4 Ų98.434%0.33555%0.545SS..  trans-65.9148.1170.4-69.7157.9000109.7F9 W15 F71F9-L11 HydrophobicContact CD1-CD2 3.61Å; F9-L11 HydrophobicContact CD1-CG 3.83Å; F9-L11 HydrophobicContact CE1-CD2 3.52Å; F9-L11 HydrophobicContact CE1-CG 4.14Å; F9-L11 PolarHBondContact O-N 3.09Å; F9-L11 VanDerWaalsContact O-N 3.17Å; L11-W15 HydrophobicContact CB-CB 3.88Å; L11-W15 HydrophobicContact CB-CD2 4.23Å; L11-W15 HydrophobicContact CB-CG 3.85Å; L11-W15 HydrophobicContact CD1-CD2 4Å; L11-W15 HydrophobicContact CD1-CG 3.99Å; L11-W15 HydrophobicContact CD1-CZ2 4.4Å; L11-W15 HydrophobicContact CD2-CD2 3.82Å; L11-W15 HydrophobicContact CD2-CE3 3.78Å; L11-W15 HydrophobicContact CD2-CG 4.34Å; L11-W15 HydrophobicContact CD2-CH2 4.36Å; L11-W15 HydrophobicContact CD2-CZ2 4.4Å; L11-W15 HydrophobicContact CD2-CZ3 4.05Å; L11-W15 HydrophobicContact CG-CD2 4.23Å; L11-W15 HydrophobicContact CG-CG 4.27Å; L11-F71 HydrophobicContact CD2-CE1 4.49Å
12P83.7Confident70Confident25 Ų2590.2 Ų90.216%0.16250%0.502CS..  trans-64.3152.6178.3-18.131000111.6I14 W15 I49P12-I14 HydrophobicContact CB-CG2 4.21Å; P12-I14 PolarHBondContact O-N 3.19Å; P12-W15 WeakPolarHBondContact O-CA 3.25Å; P12-W15 WeakPolarHBondContact O-CB 3.43Å; P12-W15 PolarHBondContact O-N 3.43Å; P12-I49 HydrophobicContact CG-CD1 4.2Å; P12-I49 HydrophobicContact CG-CG1 4.04Å
13D82.2Confident72.7Confident150 Ų15087.2 Ų87.280%0.80249%0.486SS*.G310 helixtrans-54.5-31.8-177.3-53.7-22.6000114.4W15 D16D13-W15 PolarHBondContact O-N 3.33Å; D13-W15 VanDerWaalsContact O-N 3.11Å; D13-D16 PolarHBondContact O-N 2.98Å; D13-D16 VanDerWaalsContact O-N 3.08Å
14I86.9Confident75.6Confident66 Ų6682.3 Ų82.334%0.33846%0.46SS..G310 helixtrans-62.4-16.8174.6-162.7171.8000112.5P12 D16 D17 A20 M21 L24 F45P12-I14 HydrophobicContact CB-CG2 4.21Å; P12-I14 PolarHBondContact O-N 3.19Å; I14-D16 PolarHBondContact O-N 3.17Å; I14-D17 PolarHBondContact O-N 3.07Å; I14-A20 HydrophobicContact CD1-CB 4Å; I14-A20 HydrophobicContact CG1-CB 3.74Å; I14-M21 WeakPolarHBondContact O-CG 3.13Å; I14-L24 HydrophobicContact CD1-CD1 4.2Å; I14-F45 HydrophobicContact CG2-CD2 4.44Å; I14-F45 HydrophobicContact CG2-CE2 3.43Å; I14-F45 VanDerWaalsContact CG2-CE2 3.43Å; I14-F45 HydrophobicContact CG2-CZ 3.94Å
15W86Confident78.5Confident32 Ų3276.9 Ų76.912%0.12142%0.422CS..G310 helixtrans-63.8-23.6173.9-164.4-85.7000112L11 P12 D13 M21 M25 W46 I49 F71 R73L11-W15 HydrophobicContact CB-CB 3.88Å; L11-W15 HydrophobicContact CB-CD2 4.23Å; L11-W15 HydrophobicContact CB-CG 3.85Å; L11-W15 HydrophobicContact CD1-CD2 4Å; L11-W15 HydrophobicContact CD1-CG 3.99Å; L11-W15 HydrophobicContact CD1-CZ2 4.4Å; L11-W15 HydrophobicContact CD2-CD2 3.82Å; L11-W15 HydrophobicContact CD2-CE3 3.78Å; L11-W15 HydrophobicContact CD2-CG 4.34Å; L11-W15 HydrophobicContact CD2-CH2 4.36Å; L11-W15 HydrophobicContact CD2-CZ2 4.4Å; L11-W15 HydrophobicContact CD2-CZ3 4.05Å; L11-W15 HydrophobicContact CG-CD2 4.23Å; L11-W15 HydrophobicContact CG-CG 4.27Å; P12-W15 WeakPolarHBondContact O-CA 3.25Å; P12-W15 WeakPolarHBondContact O-CB 3.43Å; P12-W15 PolarHBondContact O-N 3.43Å; D13-W15 PolarHBondContact O-N 3.33Å; D13-W15 VanDerWaalsContact O-N 3.11Å; W15-M21 HydrophobicContact CD2-CE 4.05Å; W15-M21 HydrophobicContact CE3-CE 3.37Å; W15-M21 HydrophobicContact CE3-SD 3.93Å; W15-M21 HydrophobicContact CH2-CE 4.02Å; W15-M21 HydrophobicContact CZ3-CE 3.36Å; W15-M21 HydrophobicContact CZ3-SD 4.45Å; W15-M25 HydrophobicContact CH2-CE 3.8Å; W15-M25 HydrophobicContact CZ2-CE 4.32Å; W15-M25 HydrophobicContact CZ3-CE 4.32Å; W15-W46 HydrophobicContact CH2-CH2 4.3Å; W15-W46 AromaticContact CZ3-CH2 3.86Å; W15-W46 HydrophobicContact CZ3-CH2 3.86Å; W15-W46 HydrophobicContact CZ3-CZ3 4.07Å; W15-I49 HydrophobicContact CE3-CD1 4.43Å; W15-I49 HydrophobicContact CZ3-CD1 4.35Å; W15-F71 HydrophobicContact CH2-CB 4.19Å; W15-F71 AromaticContact CH2-CD1 3.92Å; W15-F71 HydrophobicContact CH2-CD1 3.92Å; W15-F71 HydrophobicContact CZ3-CD1 4.31Å; W15-R73 HydrophobicContact CZ2-CB 4.34Å; W15-R73 PolarHBondContact O-NH1 3.37Å; W15-R73 PolarHBondContact O-NH2 2.66Å; W15-R73 VanDerWaalsContact O-NH2 3.17Å
16D85.6Confident81.3Confident136 Ų13671.1 Ų71.173%0.72740%0.397SS*.G310 helixtrans-84.1-13.7177-64.3-32.6000112.8D13 I14 D18D13-D16 PolarHBondContact O-N 2.98Å; D13-D16 VanDerWaalsContact O-N 3.08Å; I14-D16 PolarHBondContact O-N 3.17Å; D16-D18 PolarHBondContact O-N 3.31Å
17D90.5Very high83.9Confident78 Ų7867.8 Ų67.842%0.41737%0.373SS..  trans-83.8105.3176.7-176.2-19.4000110.4I14 D19 A20 M21I14-D17 PolarHBondContact O-N 3.07Å; D17-D19 PolarHBondContact O-N 2.99Å; D17-D19 PolarHBondContact OD1-N 2.64Å; D17-D19 VanDerWaalsContact OD1-N 3.11Å; D17-A20 HydrophobicContact CB-CB 3.92Å; D17-A20 VanDerWaalsContact CG-CB 3.44Å; D17-A20 PolarHBondContact OD1-N 3.49Å; D17-A20 VanDerWaalsContact OD1-N 3.08Å; D17-A20 WeakPolarHBondContact OD2-CB 3.44Å; D17-M21 VanDerWaalsContact O-CB 3.32Å; D17-M21 WeakPolarHBondContact O-CB 3.38Å; D17-M21 WeakPolarHBondContact O-CG 3.29Å; D17-M21 PolarHBondContact O-N 3.45Å
18D89.3Confident85.9Confident55 Ų5564.8 Ų64.829%0.29434%0.344SS..Hα-helixtrans-57.6-46.1179.9-79.3-29.2000112D16 M21 Y22 R73 F75D16-D18 PolarHBondContact O-N 3.31Å; D18-M21 PolarHBondContact O-N 3.21Å; D18-Y22 WeakPolarHBondContact O-CB 3.33Å; D18-Y22 PolarHBondContact O-N 3.43Å; D18-R73 IonicContact OD1-CZ 3.37Å; D18-R73 IonicContact OD1-NE 3.57Å; D18-R73 IonicContact OD1-NH2 2.66Å; D18-R73 PolarHBondContact OD1-NH2 2.87Å; D18-F75 WeakPolarHBondContact O-CE1 3.46Å
19D89.2Confident87Confident130 Ų13072.4 Ų72.470%0.69536%0.355SS*.Hα-helixtrans-67.9-45.6-175.3-73.2-30000111.1D17 Y22 S23D17-D19 PolarHBondContact O-N 2.99Å; D17-D19 PolarHBondContact OD1-N 2.64Å; D17-D19 VanDerWaalsContact OD1-N 3.11Å; D19-Y22 PolarHBondContact O-N 3.05Å; D19-S23 PolarHBondContact O-N 2.64Å
20A91Very high87.4Confident26 Ų2677.7 Ų77.722%0.21537%0.373CS..Hα-helixtrans-64-44.517900000111.4I14 D17 S23 L24I14-A20 HydrophobicContact CD1-CB 4Å; I14-A20 HydrophobicContact CG1-CB 3.74Å; D17-A20 HydrophobicContact CB-CB 3.92Å; D17-A20 VanDerWaalsContact CG-CB 3.44Å; D17-A20 PolarHBondContact OD1-N 3.49Å; D17-A20 VanDerWaalsContact OD1-N 3.08Å; D17-A20 WeakPolarHBondContact OD2-CB 3.44Å; A20-S23 PolarHBondContact O-N 2.94Å; A20-L24 WeakPolarHBondContact O-CG 3.41Å; A20-L24 PolarHBondContact O-N 3.29Å; A20-L24 VanDerWaalsContact O-N 3.13Å
21M91.9Very high87.8Confident0 Ų069.8 Ų69.80%035%0.353CS..Hα-helixtrans-71.2-35.9179.5-76.9-63.1-51.600112.6I14 W15 D17 D18 S23 L24 M25 F45 W46 F75I14-M21 WeakPolarHBondContact O-CG 3.13Å; W15-M21 HydrophobicContact CD2-CE 4.05Å; W15-M21 HydrophobicContact CE3-CE 3.37Å; W15-M21 HydrophobicContact CE3-SD 3.93Å; W15-M21 HydrophobicContact CH2-CE 4.02Å; W15-M21 HydrophobicContact CZ3-CE 3.36Å; W15-M21 HydrophobicContact CZ3-SD 4.45Å; D17-M21 VanDerWaalsContact O-CB 3.32Å; D17-M21 WeakPolarHBondContact O-CB 3.38Å; D17-M21 WeakPolarHBondContact O-CG 3.29Å; D17-M21 PolarHBondContact O-N 3.45Å; D18-M21 PolarHBondContact O-N 3.21Å; M21-S23 VanDerWaalsContact C-N 3.27Å; M21-S23 PolarHBondContact O-N 3.23Å; M21-L24 CarbonylContact O-C 3.59Å; M21-L24 PolarHBondContact O-N 3.36Å; M21-L24 HydrophobicContact SD-CD1 3.92Å; M21-M25 HydrophobicContact CE-CE 3.59Å; M21-M25 HydrophobicContact CE-SD 4.33Å; M21-M25 VanDerWaalsContact O-CG 3.27Å; M21-M25 WeakPolarHBondContact O-CG 3.37Å; M21-M25 PolarHBondContact O-N 3.2Å; M21-F45 HydrophobicContact CE-CE1 4.34Å; M21-F45 HydrophobicContact CE-CZ 4.39Å; M21-F45 HydrophobicContact SD-CE1 4.05Å; M21-F45 HydrophobicContact SD-CZ 3.66Å; M21-W46 HydrophobicContact CE-CH2 3.96Å; M21-W46 HydrophobicContact CE-CZ2 4.19Å; M21-F75 HydrophobicContact CB-CE1 4.05Å; M21-F75 HydrophobicContact CB-CZ 4.12Å
22Y91.1Very high88Confident72 Ų7271.6 Ų71.628%0.28236%0.358SS..Hα-helixtrans-55.9-47.6174.6-175.3-94.5000110.1D18 D19 L24 M25 Q26 F75 E78 I80 L82D18-Y22 WeakPolarHBondContact O-CB 3.33Å; D18-Y22 PolarHBondContact O-N 3.43Å; D19-Y22 PolarHBondContact O-N 3.05Å; Y22-L24 VanDerWaalsContact C-N 3.34Å; Y22-L24 PolarHBondContact O-N 3.28Å; Y22-M25 PolarHBondContact O-N 2.95Å; Y22-Q26 HydrophobicContact CE1-CG 4.4Å; Y22-Q26 WeakPolarHBondContact O-CG 3.41Å; Y22-Q26 PolarHBondContact O-N 3.39Å; Y22-F75 AromaticContact CD2-CD1 3.96Å; Y22-F75 HydrophobicContact CD2-CD1 3.96Å; Y22-F75 HydrophobicContact CD2-CE1 4.34Å; Y22-F75 HydrophobicContact CD2-CG 4.09Å; Y22-F75 VanDerWaalsContact N-CE1 3.35Å; Y22-E78 HydrophobicContact CE2-CG 3.79Å; Y22-I80 HydrophobicContact CE2-CD1 4.28Å; Y22-L82 HydrophobicContact CD2-CD1 3.65Å; Y22-L82 HydrophobicContact CE2-CD1 3.46Å; Y22-L82 VanDerWaalsContact CE2-CD1 3.46Å
23S90.3Very high88.3Confident69 Ų6976.9 Ų76.948%0.48339%0.39SS..Hα-helixtrans-59.6-40.2175-175.10000113.1D19 A20 M21 K42D19-S23 PolarHBondContact O-N 2.64Å; A20-S23 PolarHBondContact O-N 2.94Å; M21-S23 VanDerWaalsContact C-N 3.27Å; M21-S23 PolarHBondContact O-N 3.23Å; S23-K42 WeakPolarHBondContact O-CE 3.34Å; S23-K42 PolarHBondContact O-NZ 3.31Å
24L91.7Very high88.6Confident23 Ų2375.4 Ų75.412%0.1238%0.381CS..Hα-helixtrans-71.4-29179.2-71.7165.4000113.6I14 A20 M21 Y22 K42 F45 W46I14-L24 HydrophobicContact CD1-CD1 4.2Å; A20-L24 WeakPolarHBondContact O-CG 3.41Å; A20-L24 PolarHBondContact O-N 3.29Å; A20-L24 VanDerWaalsContact O-N 3.13Å; M21-L24 CarbonylContact O-C 3.59Å; M21-L24 PolarHBondContact O-N 3.36Å; M21-L24 HydrophobicContact SD-CD1 3.92Å; Y22-L24 VanDerWaalsContact C-N 3.34Å; Y22-L24 PolarHBondContact O-N 3.28Å; L24-K42 HydrophobicContact CD2-CB 4.43Å; L24-K42 HydrophobicContact CD2-CG 4.22Å; L24-F45 HydrophobicContact CB-CD1 4.43Å; L24-F45 HydrophobicContact CB-CE1 4.33Å; L24-F45 HydrophobicContact CD1-CD1 3.83Å; L24-F45 HydrophobicContact CD1-CD2 4.16Å; L24-F45 HydrophobicContact CD1-CE1 3.69Å; L24-F45 HydrophobicContact CD1-CE2 4.05Å; L24-F45 HydrophobicContact CD1-CG 4.05Å; L24-F45 HydrophobicContact CD1-CZ 3.78Å; L24-F45 HydrophobicContact CD2-CB 4.26Å; L24-F45 HydrophobicContact CD2-CD1 3.95Å; L24-F45 HydrophobicContact CD2-CG 4.1Å; L24-F45 HydrophobicContact CG-CD1 4.29Å; L24-F45 HydrophobicContact CG-CE1 4.41Å; L24-W46 HydrophobicContact CB-CZ2 4.43Å; L24-W46 PolarHBondContact O-NE1 3.42Å; L24-W46 VanDerWaalsContact O-NE1 3.13Å
25M91.6Very high88.7Confident0 Ų073.8 Ų73.80%037%0.373CS..Hα-helixtrans-75.5-26.5176.8-67.6-55.9-168.500113.5W15 M21 Y22 W46 F71 R73 F75 L82 P84 Q85W15-M25 HydrophobicContact CH2-CE 3.8Å; W15-M25 HydrophobicContact CZ2-CE 4.32Å; W15-M25 HydrophobicContact CZ3-CE 4.32Å; M21-M25 HydrophobicContact CE-CE 3.59Å; M21-M25 HydrophobicContact CE-SD 4.33Å; M21-M25 VanDerWaalsContact O-CG 3.27Å; M21-M25 WeakPolarHBondContact O-CG 3.37Å; M21-M25 PolarHBondContact O-N 3.2Å; Y22-M25 PolarHBondContact O-N 2.95Å; M25-W46 HydrophobicContact CE-CH2 3.89Å; M25-W46 HydrophobicContact CE-CZ2 4.33Å; M25-W46 HydrophobicContact SD-CH2 3.68Å; M25-W46 HydrophobicContact SD-CZ2 3.59Å; M25-W46 VanDerWaalsContact SD-CZ2 3.59Å; M25-F71 WeakPolarHBondContact CE-O 3.19Å; M25-R73 HydrophobicContact CE-CB 4.02Å; M25-F75 HydrophobicContact CE-CZ 4.49Å; M25-F75 HydrophobicContact CG-CE2 3.85Å; M25-F75 HydrophobicContact CG-CZ 3.67Å; M25-L82 HydrophobicContact CB-CB 4.18Å; M25-L82 HydrophobicContact CB-CD1 4.46Å; M25-L82 HydrophobicContact CG-CB 4.41Å; M25-P84 HydrophobicContact CE-CG 4.4Å; M25-P84 HydrophobicContact SD-CB 3.68Å; M25-P84 HydrophobicContact SD-CG 3.61Å; M25-Q85 PolarHBondContact O-N 2.97Å
26Q90.3Very high88.9Confident39 Ų3975.1 Ų75.118%0.18239%0.385CS..SBendtrans-60.8153.9179.8-68.4-57.5-50.700112.6Y22 K42Y22-Q26 HydrophobicContact CE1-CG 4.4Å; Y22-Q26 WeakPolarHBondContact O-CG 3.41Å; Y22-Q26 PolarHBondContact O-N 3.39Å; Q26-K42 PolarHBondContact O-NZ 3.19Å
27P91.5Very high89.1Confident41 Ų4174.1 Ų74.127%0.26638%0.384SS..  trans-66.9154.3177.428.3-32.8000111.2R29 Q85P27-R29 PolarHBondContact O-N 2.93Å; P27-R29 VanDerWaalsContact O-N 3.12Å; P27-Q85 HydrophobicContact CB-CB 3.99Å; P27-Q85 VanDerWaalsContact CD-OE1 3.24Å
28I87.5Confident89Confident30 Ų3074.8 Ų74.815%0.15439%0.388CS..  trans-76.6100.3174.2-67.3174.1000108R30 Y39 K42 I43 E89I28-R30 WeakPolarHBondContact CG2-O 3.06Å; I28-Y39 HydrophobicContact CD1-CD2 4.2Å; I28-Y39 HydrophobicContact CD1-CE2 4.12Å; I28-Y39 HydrophobicContact CG2-CD2 3.59Å; I28-Y39 HydrophobicContact CG2-CE2 4.01Å; I28-K42 HydrophobicContact CD1-CD 4.26Å; I28-K42 HydrophobicContact CG1-CD 3.75Å; I28-I43 HydrophobicContact CD1-CD1 3.62Å; I28-I43 HydrophobicContact CD1-CG1 4.19Å; I28-E89 HydrophobicContact CD1-CB 4.07Å; I28-E89 HydrophobicContact CD1-CG 4.4Å
29R84.2Confident89Confident216 Ų21673.7 Ų73.782%0.81538%0.38SS*.  trans-77.7-26.6-176-62.2-174.2-176.4-176.21.9114.1P27P27-R29 PolarHBondContact O-N 2.93Å; P27-R29 VanDerWaalsContact O-N 3.12Å
30R83.6Confident89.1Confident151 Ų15170.6 Ų70.657%0.5736%0.363SS*.SBendtrans-113.4135.2-176.9-66.6-179.6-177.9167-2.8109.3I28 I34 D35I28-R30 WeakPolarHBondContact CG2-O 3.06Å; R30-I34 HydrophobicContact CB-CB 4.37Å; R30-I34 HydrophobicContact CB-CG2 4.35Å; R30-I34 HydrophobicContact CG-CG2 4.38Å; R30-D35 HydrophobicContact CB-CB 3.95Å; R30-D35 IonicContact NH1-OD2 2.75Å; R30-D35 PolarHBondContact NH1-OD2 3.5Å
31S83.9Confident89.1Confident63 Ų6372.1 Ų72.144%0.44138%0.376SS..  trans-65.5158.1176.867.30000111.4V33 I34 D35S31-V33 PolarHBondContact O-N 3.31Å; S31-I34 PolarHBondContact O-N 2.86Å; S31-D35 PolarHBondContact O-N 3.1Å
32K86.1Confident89.1Confident101 Ų10172.8 Ų72.844%0.43938%0.379SS..THydrogen-bonded Turntrans-51.1-28.6176.5-170.9175-171.7167.80113.5P36 Y39 D93K32-P36 WeakPolarHBondContact O-CA 3.31Å; K32-P36 WeakPolarHBondContact O-CB 3.09Å; K32-Y39 HydrophobicContact CB-CD1 3.86Å; K32-Y39 HydrophobicContact CB-CD2 4.02Å; K32-Y39 HydrophobicContact CB-CE1 4.01Å; K32-Y39 HydrophobicContact CB-CE2 4.19Å; K32-Y39 HydrophobicContact CB-CG 3.89Å; K32-Y39 HydrophobicContact CD-CD1 3.98Å; K32-Y39 HydrophobicContact CD-CE1 3.76Å; K32-Y39 HydrophobicContact CG-CD1 3.71Å; K32-Y39 HydrophobicContact CG-CE1 3.97Å; K32-Y39 HydrophobicContact CG-CG 4.15Å; K32-D93 IonicContact NZ-OD1 2.57Å
33V89.2Confident89.1Confident136 Ų13669.6 Ų69.682%0.82437%0.366SS*.THydrogen-bonded Turntrans-72.8-34.3179.2-177.30000112.2S31S31-V33 PolarHBondContact O-N 3.31Å
34I89.7Confident89.3Confident120 Ų12070.6 Ų70.662%0.61537%0.37SS*.THydrogen-bonded Turntrans-86.6-42.5-174.3-61.9169.8000110.9R30 S31R30-I34 HydrophobicContact CB-CB 4.37Å; R30-I34 HydrophobicContact CB-CG2 4.35Å; R30-I34 HydrophobicContact CG-CG2 4.38Å; S31-I34 PolarHBondContact O-N 2.86Å
35D88.8Confident89.3Confident32 Ų3270.4 Ų70.417%0.17137%0.368CS..  trans-138.773.9-175.5-166.2-17.7000110.1R30 S31 V37 N38 Y39R30-D35 HydrophobicContact CB-CB 3.95Å; R30-D35 IonicContact NH1-OD2 2.75Å; R30-D35 PolarHBondContact NH1-OD2 3.5Å; S31-D35 PolarHBondContact O-N 3.1Å; D35-V37 PolarHBondContact O-N 2.87Å; D35-N38 WeakPolarHBondContact OD1-CB 3.21Å; D35-N38 PolarHBondContact OD1-N 3.44Å; D35-Y39 VanDerWaalsContact O-CB 3.22Å; D35-Y39 WeakPolarHBondContact O-CB 3.4Å; D35-Y39 PolarHBondContact O-N 3.08Å; D35-Y39 VanDerWaalsContact O-N 3.11Å
36P90.8Very high89.4Confident59 Ų5970.4 Ų70.438%0.38337%0.368SS..Hα-helixtrans-63.9-31.9-17524-33.5000112.2K32 N40K32-P36 WeakPolarHBondContact O-CA 3.31Å; K32-P36 WeakPolarHBondContact O-CB 3.09Å; P36-N40 WeakPolarHBondContact O-CB 3.33Å; P36-N40 PolarHBondContact O-N 3.36Å; P36-N40 PolarHBondContact O-ND2 3.22Å; P36-N40 VanDerWaalsContact O-ND2 3.08Å
37V90Very high89.5Confident115 Ų11570.9 Ų70.970%0.69737%0.37SS*.Hα-helixtrans-68.6-53-176.1-179.90000110.3D35 N40 A41D35-V37 PolarHBondContact O-N 2.87Å; V37-N40 PolarHBondContact O-N 2.92Å; V37-A41 VanDerWaalsContact O-CB 3.32Å; V37-A41 WeakPolarHBondContact O-CB 3.45Å; V37-A41 PolarHBondContact O-N 3.02Å
38N87Confident89.6Confident92 Ų9275.7 Ų75.749%0.49238%0.382SS..Hα-helixtrans-69.7-37.6-178.1-161.110.1000111.6D35 K42D35-N38 WeakPolarHBondContact OD1-CB 3.21Å; D35-N38 PolarHBondContact OD1-N 3.44Å; N38-K42 PolarHBondContact O-N 3.47Å; N38-K42 VanDerWaalsContact O-N 3.16Å
39Y90.4Very high89.8Confident33 Ų3374.2 Ų74.213%0.12938%0.375CS..Hα-helixtrans-56.6-57.7172.4-176.1-82.7000110.9I28 K32 D35 A41 K42 I43I28-Y39 HydrophobicContact CD1-CD2 4.2Å; I28-Y39 HydrophobicContact CD1-CE2 4.12Å; I28-Y39 HydrophobicContact CG2-CD2 3.59Å; I28-Y39 HydrophobicContact CG2-CE2 4.01Å; K32-Y39 HydrophobicContact CB-CD1 3.86Å; K32-Y39 HydrophobicContact CB-CD2 4.02Å; K32-Y39 HydrophobicContact CB-CE1 4.01Å; K32-Y39 HydrophobicContact CB-CE2 4.19Å; K32-Y39 HydrophobicContact CB-CG 3.89Å; K32-Y39 HydrophobicContact CD-CD1 3.98Å; K32-Y39 HydrophobicContact CD-CE1 3.76Å; K32-Y39 HydrophobicContact CG-CD1 3.71Å; K32-Y39 HydrophobicContact CG-CE1 3.97Å; K32-Y39 HydrophobicContact CG-CG 4.15Å; D35-Y39 VanDerWaalsContact O-CB 3.22Å; D35-Y39 WeakPolarHBondContact O-CB 3.4Å; D35-Y39 PolarHBondContact O-N 3.08Å; D35-Y39 VanDerWaalsContact O-N 3.11Å; Y39-A41 VanDerWaalsContact C-N 3.32Å; Y39-A41 PolarHBondContact O-N 3.31Å; Y39-K42 PolarHBondContact O-N 3.27Å; Y39-I43 HydrophobicContact CD1-CG1 3.88Å; Y39-I43 HydrophobicContact CE1-CD1 4.31Å; Y39-I43 HydrophobicContact CE1-CG1 3.52Å; Y39-I43 HydrophobicContact CE2-CG1 4.46Å; Y39-I43 HydrophobicContact CG-CG1 4.48Å; Y39-I43 VanDerWaalsContact O-CG1 3.32Å; Y39-I43 WeakPolarHBondContact O-CG1 3.3Å; Y39-I43 PolarHBondContact O-N 3.47Å
40N91.8Very high90.2Very high65 Ų6564 Ų6435%0.34834%0.337SS..Hα-helixtrans-64.2-36.5-176.1-70.1-23.2000112P36 V37 T44P36-N40 WeakPolarHBondContact O-CB 3.33Å; P36-N40 PolarHBondContact O-N 3.36Å; P36-N40 PolarHBondContact O-ND2 3.22Å; P36-N40 VanDerWaalsContact O-ND2 3.08Å; V37-N40 PolarHBondContact O-N 2.92Å; N40-T44 WeakPolarHBondContact O-CB 3.43Å; N40-T44 PolarHBondContact O-N 3.09Å; N40-T44 PolarHBondContact O-OG1 3.43Å
41A90.8Very high90.6Very high58 Ų5858.9 Ų58.948%0.47932%0.32SS..Hα-helixtrans-60.7-48.3177.100000111.7V37 Y39 F45V37-A41 VanDerWaalsContact O-CB 3.32Å; V37-A41 WeakPolarHBondContact O-CB 3.45Å; V37-A41 PolarHBondContact O-N 3.02Å; Y39-A41 VanDerWaalsContact C-N 3.32Å; Y39-A41 PolarHBondContact O-N 3.31Å; A41-F45 WeakPolarHBondContact O-CB 3.46Å; A41-F45 PolarHBondContact O-N 3.5Å
42K91.5Very high91Very high14 Ų1457.7 Ų57.76%0.06131%0.312CS..Hα-helixtrans-67.1-43.8179.2-172.4173.2-66.6-165.70112.2S23 L24 Q26 I28 N38 Y39 F45 W46S23-K42 WeakPolarHBondContact O-CE 3.34Å; S23-K42 PolarHBondContact O-NZ 3.31Å; L24-K42 HydrophobicContact CD2-CB 4.43Å; L24-K42 HydrophobicContact CD2-CG 4.22Å; Q26-K42 PolarHBondContact O-NZ 3.19Å; I28-K42 HydrophobicContact CD1-CD 4.26Å; I28-K42 HydrophobicContact CG1-CD 3.75Å; N38-K42 PolarHBondContact O-N 3.47Å; N38-K42 VanDerWaalsContact O-N 3.16Å; Y39-K42 PolarHBondContact O-N 3.27Å; K42-F45 PolarHBondContact O-N 2.76Å; K42-W46 VanDerWaalsContact O-CD1 3.26Å; K42-W46 PolarHBondContact O-N 3.14Å; K42-W46 VanDerWaalsContact O-N 3.17Å
43I91.5Very high91.2Very high4 Ų455 Ų552%0.02130%0.299CS..Hα-helixtrans-62.3-48.1177.1-63.2-60.4000110.9I28 Y39 F45 W46 K47 E89 V90 D93I28-I43 HydrophobicContact CD1-CD1 3.62Å; I28-I43 HydrophobicContact CD1-CG1 4.19Å; Y39-I43 HydrophobicContact CD1-CG1 3.88Å; Y39-I43 HydrophobicContact CE1-CD1 4.31Å; Y39-I43 HydrophobicContact CE1-CG1 3.52Å; Y39-I43 HydrophobicContact CE2-CG1 4.46Å; Y39-I43 HydrophobicContact CG-CG1 4.48Å; Y39-I43 VanDerWaalsContact O-CG1 3.32Å; Y39-I43 WeakPolarHBondContact O-CG1 3.3Å; Y39-I43 PolarHBondContact O-N 3.47Å; I43-F45 VanDerWaalsContact C-N 3.3Å; I43-F45 PolarHBondContact O-N 3.35Å; I43-W46 PolarHBondContact O-N 3.46Å; I43-K47 WeakPolarHBondContact O-CB 3.34Å; I43-K47 PolarHBondContact O-N 2.85Å; I43-E89 HydrophobicContact CD1-CB 4.1Å; I43-V90 HydrophobicContact CD1-CB 4.29Å; I43-V90 HydrophobicContact CD1-CG2 3.54Å; I43-D93 HydrophobicContact CG2-CB 4.08Å; I43-D93 WeakPolarHBondContact CG2-OD2 3.38Å
44T92.9Very high91.3Very high91 Ų9148.5 Ų48.556%0.55826%0.26SS*.Hα-helixtrans-61.1-40.2-179.8-58.10000111.5N40 R48N40-T44 WeakPolarHBondContact O-CB 3.43Å; N40-T44 PolarHBondContact O-N 3.09Å; N40-T44 PolarHBondContact O-OG1 3.43Å; T44-R48 WeakPolarHBondContact O-CB 3.47Å; T44-R48 PolarHBondContact O-N 3.44Å
45F93.2Very high91.3Very high19 Ų1949.8 Ų49.88%0.08326%0.261CS..Hα-helixtrans-59-55.4176.4174.2-99000111.9I14 M21 L24 A41 K42 I43 R48 I49I14-F45 HydrophobicContact CG2-CD2 4.44Å; I14-F45 HydrophobicContact CG2-CE2 3.43Å; I14-F45 VanDerWaalsContact CG2-CE2 3.43Å; I14-F45 HydrophobicContact CG2-CZ 3.94Å; M21-F45 HydrophobicContact CE-CE1 4.34Å; M21-F45 HydrophobicContact CE-CZ 4.39Å; M21-F45 HydrophobicContact SD-CE1 4.05Å; M21-F45 HydrophobicContact SD-CZ 3.66Å; L24-F45 HydrophobicContact CB-CD1 4.43Å; L24-F45 HydrophobicContact CB-CE1 4.33Å; L24-F45 HydrophobicContact CD1-CD1 3.83Å; L24-F45 HydrophobicContact CD1-CD2 4.16Å; L24-F45 HydrophobicContact CD1-CE1 3.69Å; L24-F45 HydrophobicContact CD1-CE2 4.05Å; L24-F45 HydrophobicContact CD1-CG 4.05Å; L24-F45 HydrophobicContact CD1-CZ 3.78Å; L24-F45 HydrophobicContact CD2-CB 4.26Å; L24-F45 HydrophobicContact CD2-CD1 3.95Å; L24-F45 HydrophobicContact CD2-CG 4.1Å; L24-F45 HydrophobicContact CG-CD1 4.29Å; L24-F45 HydrophobicContact CG-CE1 4.41Å; A41-F45 WeakPolarHBondContact O-CB 3.46Å; A41-F45 PolarHBondContact O-N 3.5Å; K42-F45 PolarHBondContact O-N 2.76Å; I43-F45 VanDerWaalsContact C-N 3.3Å; I43-F45 PolarHBondContact O-N 3.35Å; F45-R48 PolarHBondContact O-N 3.12Å; F45-I49 HydrophobicContact CD1-CD1 4.18Å; F45-I49 HydrophobicContact CE1-CD1 3.44Å; F45-I49 VanDerWaalsContact CE1-CD1 3.44Å; F45-I49 HydrophobicContact CE2-CD1 3.89Å; F45-I49 HydrophobicContact CZ-CD1 3.29Å; F45-I49 HydrophobicContact CZ-CG1 4.41Å; F45-I49 PolarHBondContact O-N 3.15Å
46W93.3Very high91.2Very high0 Ų052.9 Ų52.90%028%0.278CS..Hα-helixtrans-66.9-39.3-178.9-74.9115.4000112.3W15 M21 L24 M25 K42 I43 R48 I49 L50 F71 P84 S86 V90W15-W46 HydrophobicContact CH2-CH2 4.3Å; W15-W46 AromaticContact CZ3-CH2 3.86Å; W15-W46 HydrophobicContact CZ3-CH2 3.86Å; W15-W46 HydrophobicContact CZ3-CZ3 4.07Å; M21-W46 HydrophobicContact CE-CH2 3.96Å; M21-W46 HydrophobicContact CE-CZ2 4.19Å; L24-W46 HydrophobicContact CB-CZ2 4.43Å; L24-W46 PolarHBondContact O-NE1 3.42Å; L24-W46 VanDerWaalsContact O-NE1 3.13Å; M25-W46 HydrophobicContact CE-CH2 3.89Å; M25-W46 HydrophobicContact CE-CZ2 4.33Å; M25-W46 HydrophobicContact SD-CH2 3.68Å; M25-W46 HydrophobicContact SD-CZ2 3.59Å; M25-W46 VanDerWaalsContact SD-CZ2 3.59Å; K42-W46 VanDerWaalsContact O-CD1 3.26Å; K42-W46 PolarHBondContact O-N 3.14Å; K42-W46 VanDerWaalsContact O-N 3.17Å; I43-W46 PolarHBondContact O-N 3.46Å; W46-R48 VanDerWaalsContact C-N 3.31Å; W46-R48 PolarHBondContact O-N 2.92Å; W46-I49 HydrophobicContact CE3-CD1 4.25Å; W46-I49 HydrophobicContact CZ3-CD1 4.14Å; W46-I49 PolarHBondContact O-N 3.15Å; W46-L50 WeakPolarHBondContact O-CG 3.42Å; W46-L50 PolarHBondContact O-N 2.9Å; W46-F71 HydrophobicContact CZ3-CB 4.31Å; W46-F71 HydrophobicContact CZ3-CD1 4.48Å; W46-F71 HydrophobicContact CZ3-CG 4.22Å; W46-P84 HydrophobicContact CD2-CB 4.16Å; W46-P84 HydrophobicContact CE3-CB 4.38Å; W46-P84 HydrophobicContact CE3-CG 4.21Å; W46-P84 HydrophobicContact CH2-CB 3.69Å; W46-P84 HydrophobicContact CH2-CG 3.37Å; W46-P84 HydrophobicContact CZ2-CB 3.41Å; W46-P84 VanDerWaalsContact CZ2-CB 3.41Å; W46-P84 HydrophobicContact CZ2-CG 3.69Å; W46-P84 HydrophobicContact CZ3-CB 4.15Å; W46-P84 HydrophobicContact CZ3-CG 3.64Å; W46-S86 PolarHBondContact NE1-OG 2.91Å; W46-V90 HydrophobicContact CB-CB 4.45Å; W46-V90 HydrophobicContact CB-CG1 4.02Å; W46-V90 HydrophobicContact CB-CG2 3.66Å; W46-V90 HydrophobicContact CG-CG2 4.23Å
47K92.9Very high91.1Very high49 Ų4952.9 Ų52.921%0.21327%0.272CS..Hα-helixtrans-54.7-46.8173.3170.1166.2179.7-171.20111.7I43 I49 L50 L51 L94 E97I43-K47 WeakPolarHBondContact O-CB 3.34Å; I43-K47 PolarHBondContact O-N 2.85Å; K47-I49 VanDerWaalsContact C-N 3.35Å; K47-I49 PolarHBondContact O-N 3.34Å; K47-L50 PolarHBondContact O-N 3.24Å; K47-L51 HydrophobicContact CG-CD1 3.84Å; K47-L51 HydrophobicContact CG-CG 4.5Å; K47-L51 WeakPolarHBondContact O-CB 3.31Å; K47-L51 VanDerWaalsContact O-CG 3.27Å; K47-L51 WeakPolarHBondContact O-CG 3.49Å; K47-L51 PolarHBondContact O-N 2.95Å; K47-L94 HydrophobicContact CD-CD2 3.79Å; K47-L94 HydrophobicContact CG-CD2 3.87Å; K47-E97 WeakPolarHBondContact CE-OE2 3.4Å; K47-E97 IonicContact NZ-OE1 3.18Å; K47-E97 PolarHBondContact NZ-OE1 3.07Å; K47-E97 IonicContact NZ-OE2 3.04Å; K47-E97 PolarHBondContact NZ-OE2 2.84Å
48R92.9Very high91.1Very high141 Ų14150.6 Ų50.653%0.53225%0.253SS..Hα-helixtrans-60-45177.7-176.1175.764.7124.2-0.9111.7T44 F45 W46 L51 S52T44-R48 WeakPolarHBondContact O-CB 3.47Å; T44-R48 PolarHBondContact O-N 3.44Å; F45-R48 PolarHBondContact O-N 3.12Å; W46-R48 VanDerWaalsContact C-N 3.31Å; W46-R48 PolarHBondContact O-N 2.92Å; R48-L51 PolarHBondContact O-N 3.09Å; R48-S52 PolarHBondContact O-N 3.48Å; R48-S52 PolarHBondContact O-OG 3.32Å; R48-S52 VanDerWaalsContact O-OG 3.06Å
49I92.1Very high91.3Very high0 Ų046.3 Ų46.30%023%0.231CC..Hα-helixtrans-63.4-45.9178.8-70.1-179.4000111.5F9 P12 W15 F45 W46 K47 L51 S52 Y53 F71F9-I49 HydrophobicContact CE1-CG2 4.19Å; F9-I49 HydrophobicContact CZ-CG2 4.3Å; P12-I49 HydrophobicContact CG-CD1 4.2Å; P12-I49 HydrophobicContact CG-CG1 4.04Å; W15-I49 HydrophobicContact CE3-CD1 4.43Å; W15-I49 HydrophobicContact CZ3-CD1 4.35Å; F45-I49 HydrophobicContact CD1-CD1 4.18Å; F45-I49 HydrophobicContact CE1-CD1 3.44Å; F45-I49 VanDerWaalsContact CE1-CD1 3.44Å; F45-I49 HydrophobicContact CE2-CD1 3.89Å; F45-I49 HydrophobicContact CZ-CD1 3.29Å; F45-I49 HydrophobicContact CZ-CG1 4.41Å; F45-I49 PolarHBondContact O-N 3.15Å; W46-I49 HydrophobicContact CE3-CD1 4.25Å; W46-I49 HydrophobicContact CZ3-CD1 4.14Å; W46-I49 PolarHBondContact O-N 3.15Å; K47-I49 VanDerWaalsContact C-N 3.35Å; K47-I49 PolarHBondContact O-N 3.34Å; I49-L51 VanDerWaalsContact C-N 3.35Å; I49-L51 PolarHBondContact O-N 3.45Å; I49-S52 WeakPolarHBondContact CA-OG 3.42Å; I49-S52 PolarHBondContact O-N 3.48Å; I49-S52 PolarHBondContact O-OG 3.38Å; I49-Y53 VanDerWaalsContact O-CB 3.24Å; I49-Y53 WeakPolarHBondContact O-CB 3.21Å; I49-Y53 PolarHBondContact O-N 3.08Å; I49-F71 HydrophobicContact CG2-CD1 4.37Å; I49-F71 HydrophobicContact CG2-CE1 3.53Å; I49-F71 HydrophobicContact CG2-CE2 4.35Å; I49-F71 HydrophobicContact CG2-CZ 3.53Å
50L92.5Very high91.4Very high2 Ų245.1 Ų45.11%0.0123%0.226CC..Hα-helixtrans-62.9-42.5179.8-67.7179.1000111.6W46 K47 Y53 A54 L67 F71 L87 V90 L94 F152W46-L50 WeakPolarHBondContact O-CG 3.42Å; W46-L50 PolarHBondContact O-N 2.9Å; K47-L50 PolarHBondContact O-N 3.24Å; L50-Y53 PolarHBondContact O-N 2.85Å; L50-A54 WeakPolarHBondContact O-CB 3.14Å; L50-A54 PolarHBondContact O-N 2.98Å; L50-L67 HydrophobicContact CD1-CD1 4.41Å; L50-L67 HydrophobicContact CD2-CD1 3.73Å; L50-L67 HydrophobicContact CD2-CD2 3.65Å; L50-L67 HydrophobicContact CD2-CG 4.26Å; L50-F71 HydrophobicContact CD2-CE2 3.71Å; L50-F71 HydrophobicContact CD2-CZ 4.42Å; L50-L87 HydrophobicContact CD1-CD2 4.44Å; L50-V90 HydrophobicContact CD1-CG1 3.82Å; L50-L94 HydrophobicContact CD1-CD1 4Å; L50-F152 HydrophobicContact CB-CZ 4.22Å
51L92Very high91.4Very high42 Ų4242.3 Ų42.322%0.2221%0.211CC..Hα-helixtrans-66.2-43.6177.7-70.2170.7000112.2K47 R48 I49 K55 V99 F152 F155K47-L51 HydrophobicContact CG-CD1 3.84Å; K47-L51 HydrophobicContact CG-CG 4.5Å; K47-L51 WeakPolarHBondContact O-CB 3.31Å; K47-L51 VanDerWaalsContact O-CG 3.27Å; K47-L51 WeakPolarHBondContact O-CG 3.49Å; K47-L51 PolarHBondContact O-N 2.95Å; R48-L51 PolarHBondContact O-N 3.09Å; I49-L51 VanDerWaalsContact C-N 3.35Å; I49-L51 PolarHBondContact O-N 3.45Å; L51-K55 WeakPolarHBondContact O-CB 3.47Å; L51-K55 PolarHBondContact O-N 3.31Å; L51-K55 VanDerWaalsContact O-N 3.1Å; L51-V99 HydrophobicContact CD2-CG1 4.05Å; L51-F152 HydrophobicContact CD2-CD1 3.93Å; L51-F152 HydrophobicContact CD2-CE1 3.6Å; L51-F152 HydrophobicContact CD2-CZ 4.41Å; L51-F152 HydrophobicContact CG-CE1 4.49Å; L51-F155 HydrophobicContact CB-CE2 4.39Å; L51-F155 HydrophobicContact CD2-CE2 3.54Å; L51-F155 HydrophobicContact CD2-CZ 3.91Å
52S91.1Very high91.4Very high38 Ų3840 Ų4027%0.26619%0.19SC..Hα-helixtrans-65-42.417655.30000111.4F9 R48 I49 K55 D56F9-S52 WeakPolarHBondContact CZ-OG 3.07Å; R48-S52 PolarHBondContact O-N 3.48Å; R48-S52 PolarHBondContact O-OG 3.32Å; R48-S52 VanDerWaalsContact O-OG 3.06Å; I49-S52 WeakPolarHBondContact CA-OG 3.42Å; I49-S52 PolarHBondContact O-N 3.48Å; I49-S52 PolarHBondContact O-OG 3.38Å; S52-K55 PolarHBondContact O-N 3.49Å; S52-D56 WeakPolarHBondContact O-CB 3.35Å; S52-D56 PolarHBondContact O-N 3.31Å
53Y90.8Very high91.4Very high44 Ų4440.3 Ų40.317%0.17319%0.194CC..Hα-helixtrans-61.5-47.7178.1178.8-97.5000111.8F9 I49 L50 K55 D56 H57 A59 L70 F71F9-Y53 HydrophobicContact CD1-CD2 4.25Å; F9-Y53 HydrophobicContact CD2-CD2 4.09Å; F9-Y53 HydrophobicContact CE1-CD2 4.4Å; F9-Y53 VanDerWaalsContact CE2-CA 3.44Å; F9-Y53 HydrophobicContact CE2-CD2 4.29Å; F9-Y53 HydrophobicContact CG-CD2 4.09Å; F9-Y53 HydrophobicContact CZ-CD2 4.44Å; I49-Y53 VanDerWaalsContact O-CB 3.24Å; I49-Y53 WeakPolarHBondContact O-CB 3.21Å; I49-Y53 PolarHBondContact O-N 3.08Å; L50-Y53 PolarHBondContact O-N 2.85Å; Y53-K55 VanDerWaalsContact C-N 3.29Å; Y53-K55 PolarHBondContact O-N 3.06Å; Y53-D56 PolarHBondContact O-N 3.37Å; Y53-H57 AromaticContact CD2-CD2 3.45Å; Y53-H57 VanDerWaalsContact CD2-CD2 3.45Å; Y53-H57 WeakPolarHBondContact CD2-CD2 3.19Å; Y53-H57 HydrophobicContact CE2-CB 4.42Å; Y53-H57 AromaticContact CE2-CD2 3.41Å; Y53-H57 VanDerWaalsContact CE2-CD2 3.41Å; Y53-H57 WeakPolarHBondContact CE2-CD2 3.47Å; Y53-H57 AromaticContact CE2-CG 3.94Å; Y53-H57 WeakPolarHBondContact O-CB 3.43Å; Y53-H57 PolarHBondContact O-N 2.86Å; Y53-A59 HydrophobicContact CD1-CB 4.39Å; Y53-A59 HydrophobicContact CE1-CB 3.81Å; Y53-L70 HydrophobicContact CD1-CD2 4.08Å; Y53-L70 HydrophobicContact CD2-CD2 4.03Å; Y53-L70 HydrophobicContact CE1-CD2 3.6Å; Y53-L70 HydrophobicContact CE2-CD1 4.22Å; Y53-L70 HydrophobicContact CE2-CD2 3.55Å; Y53-L70 HydrophobicContact CE2-CG 4.43Å; Y53-L70 HydrophobicContact CG-CD2 4.28Å; Y53-F71 HydrophobicContact CG-CZ 4.37Å
54A91.1Very high91.3Very high0 Ų043 Ų430%021%0.206CC..Hα-helixtrans-59.5-40.9178.400000111.9L50 K58 A59 F60 F152 F155L50-A54 WeakPolarHBondContact O-CB 3.14Å; L50-A54 PolarHBondContact O-N 2.98Å; A54-K58 CarbonylContact O-C 3.52Å; A54-K58 VanDerWaalsContact O-CA 3.27Å; A54-K58 WeakPolarHBondContact O-CA 3.41Å; A54-K58 PolarHBondContact O-N 3.46Å; A54-K58 VanDerWaalsContact O-N 3.13Å; A54-A59 WeakPolarHBondContact CA-O 3.39Å; A54-A59 WeakPolarHBondContact CB-O 3.49Å; A54-A59 PolarHBondContact O-N 3.46Å; A54-F60 WeakPolarHBondContact O-CE1 2.68Å; A54-F152 HydrophobicContact CB-CD2 3.67Å; A54-F152 HydrophobicContact CB-CE2 3.75Å; A54-F152 HydrophobicContact CB-CG 4.41Å; A54-F155 HydrophobicContact CB-CD2 4.31Å
55K89.4Confident91.1Very high147 Ų14741.7 Ų41.764%0.63919%0.194SC*.Hα-helixtrans-69.3-51.6178.8-173.2-179.5179.8-177.40112.4L51 S52 Y53 H57 K58L51-K55 WeakPolarHBondContact O-CB 3.47Å; L51-K55 PolarHBondContact O-N 3.31Å; L51-K55 VanDerWaalsContact O-N 3.1Å; S52-K55 PolarHBondContact O-N 3.49Å; Y53-K55 VanDerWaalsContact C-N 3.29Å; Y53-K55 PolarHBondContact O-N 3.06Å; K55-H57 PolarHBondContact O-N 2.95Å; K55-K58 PolarHBondContact O-N 2.88Å
56D88.4Confident90.8Very high98 Ų9844.2 Ų44.252%0.52421%0.214SC..Hα-helixtrans-69.9-34.6-171.9-66.6-14.5000112F9 S52 Y53F9-D56 HydrophobicContact CD2-CB 4.48Å; S52-D56 WeakPolarHBondContact O-CB 3.35Å; S52-D56 PolarHBondContact O-N 3.31Å; Y53-D56 PolarHBondContact O-N 3.37Å
57H87.5Confident90.6Very high59 Ų5944.4 Ų44.427%0.27322%0.215SC..THydrogen-bonded Turntrans-99.71.5-179.4-68.7-74.3000114.5F9 Y53 K55 A59F9-H57 WeakPolarHBondContact CB-NE2 3.18Å; F9-H57 AromaticContact CD2-CD2 3.92Å; F9-H57 AromaticContact CD2-NE2 3.7Å; F9-H57 AromaticContact CG-NE2 3.79Å; Y53-H57 AromaticContact CD2-CD2 3.45Å; Y53-H57 VanDerWaalsContact CD2-CD2 3.45Å; Y53-H57 WeakPolarHBondContact CD2-CD2 3.19Å; Y53-H57 HydrophobicContact CE2-CB 4.42Å; Y53-H57 AromaticContact CE2-CD2 3.41Å; Y53-H57 VanDerWaalsContact CE2-CD2 3.41Å; Y53-H57 WeakPolarHBondContact CE2-CD2 3.47Å; Y53-H57 AromaticContact CE2-CG 3.94Å; Y53-H57 WeakPolarHBondContact O-CB 3.43Å; Y53-H57 PolarHBondContact O-N 2.86Å; K55-H57 PolarHBondContact O-N 2.95Å; H57-A59 HydrophobicContact CB-CB 4.19Å; H57-A59 PolarHBondContact O-N 2.74Å
58K90Very high90.6Very high66 Ų6643.7 Ų43.729%0.28721%0.212SC..THydrogen-bonded Turntrans49.640.1-170.2-58.9-177.9177.2179.10112.1A54 K55 F60 F195 Y196 T201A54-K58 CarbonylContact O-C 3.52Å; A54-K58 VanDerWaalsContact O-CA 3.27Å; A54-K58 WeakPolarHBondContact O-CA 3.41Å; A54-K58 PolarHBondContact O-N 3.46Å; A54-K58 VanDerWaalsContact O-N 3.13Å; K55-K58 PolarHBondContact O-N 2.88Å; K58-F60 HydrophobicContact CB-CE2 4.24Å; K58-F60 HydrophobicContact CB-CZ 3.9Å; K58-F60 HydrophobicContact CG-CZ 4.26Å; K58-F195 HydrophobicContact CD-CD1 4.37Å; K58-F195 HydrophobicContact CD-CE1 4.16Å; K58-Y196 HydrophobicContact CB-CD1 3.96Å; K58-Y196 HydrophobicContact CB-CE1 4.18Å; K58-Y196 HydrophobicContact CD-CD1 4.19Å; K58-Y196 HydrophobicContact CD-CE1 4.08Å; K58-T201 WeakPolarHBondContact O-CG2 3.35Å; K58-T201 PolarHBondContact O-OG1 3.14Å
59A91.8Very high90.4Very high3 Ų344.4 Ų44.43%0.02522%0.219CC..  trans-103.980.8-178.400000109.6Y53 A54 H57 H198 T201Y53-A59 HydrophobicContact CD1-CB 4.39Å; Y53-A59 HydrophobicContact CE1-CB 3.81Å; A54-A59 WeakPolarHBondContact CA-O 3.39Å; A54-A59 WeakPolarHBondContact CB-O 3.49Å; A54-A59 PolarHBondContact O-N 3.46Å; H57-A59 HydrophobicContact CB-CB 4.19Å; H57-A59 PolarHBondContact O-N 2.74Å; A59-H198 HydrophobicContact CB-CB 4.5Å; A59-T201 WeakPolarHBondContact CA-OG1 3.15Å
60F92.4Very high90.2Very high7 Ų748.1 Ų48.13%0.03124%0.238CC..  trans-87.6-21.1-172.5-48.5-49.7000113.7A54 K58 V151 F152 F155 A156 S159 Y196 T201 I205A54-F60 WeakPolarHBondContact O-CE1 2.68Å; K58-F60 HydrophobicContact CB-CE2 4.24Å; K58-F60 HydrophobicContact CB-CZ 3.9Å; K58-F60 HydrophobicContact CG-CZ 4.26Å; F60-V151 HydrophobicContact CB-CG2 4.44Å; F60-V151 VanDerWaalsContact O-CA 3.31Å; F60-V151 WeakPolarHBondContact O-CA 3.49Å; F60-F152 WeakPolarHBondContact O-CD2 3.26Å; F60-F152 PolarHBondContact O-N 2.87Å; F60-F155 HydrophobicContact CD1-CB 3.61Å; F60-F155 HydrophobicContact CE1-CB 3.75Å; F60-F155 HydrophobicContact CG-CB 4.38Å; F60-A156 HydrophobicContact CB-CB 4.09Å; F60-A156 HydrophobicContact CD2-CB 4.04Å; F60-A156 HydrophobicContact CG-CB 4.23Å; F60-S159 VanDerWaalsContact CZ-CB 3.42Å; F60-Y196 AromaticContact CE2-CE1 3.89Å; F60-Y196 HydrophobicContact CE2-CE1 3.89Å; F60-T201 HydrophobicContact CB-CG2 4.33Å; F60-T201 HydrophobicContact CD2-CG2 3.44Å; F60-T201 VanDerWaalsContact CD2-CG2 3.44Å; F60-T201 HydrophobicContact CE2-CG2 4.05Å; F60-T201 HydrophobicContact CG-CG2 4.21Å; F60-T201 PolarHBondContact N-OG1 3.45Å; F60-I205 HydrophobicContact CD2-CD1 4.29Å
61V91.6Very high90.1Very high6 Ų648.3 Ų48.34%0.03624%0.239CC..EExtended strand (participates in β ladder)trans-96.3127.3174.2-178.90000109V103 Q149 F150 V151 H198 A200 Y204V61-V103 HydrophobicContact CG1-CG2 4.46Å; V61-Q149 HydrophobicContact CG1-CB 4.1Å; V61-Q149 HydrophobicContact CG1-CG 4.39Å; V61-F150 CarbonylContact C-O 3.55Å; V61-F150 WeakPolarHBondContact CA-O 2.95Å; V61-V151 HydrophobicContact CG2-CB 4.46Å; V61-V151 HydrophobicContact CG2-CG2 4.15Å; V61-H198 PolarHBondContact O-CE1 3.38Å; V61-A200 HydrophobicContact CB-CB 4.08Å; V61-A200 HydrophobicContact CG1-CB 3.96Å; V61-Y204 HydrophobicContact CG2-CD1 4.5Å; V61-Y204 HydrophobicContact CG2-CD2 4.38Å; V61-Y204 HydrophobicContact CG2-CG 3.89Å
62I91Very high90.1Very high9 Ų949.1 Ų49.15%0.04625%0.246CC..EExtended strand (participates in β ladder)trans-130.2149.4-178.656.5164.4000110.3L67 L100 Q149 F150 F152I62-L67 HydrophobicContact CB-CD1 4.04Å; I62-L67 HydrophobicContact CB-CD2 4.28Å; I62-L67 HydrophobicContact CB-CG 4.24Å; I62-L67 HydrophobicContact CD1-CD1 3.84Å; I62-L67 HydrophobicContact CG1-CD1 4.45Å; I62-L67 HydrophobicContact CG2-CD2 4.05Å; I62-L100 HydrophobicContact CD1-CD1 3.78Å; I62-L100 HydrophobicContact CD1-CD2 3.94Å; I62-L100 HydrophobicContact CG1-CD2 4.32Å; I62-Q149 WeakPolarHBondContact O-CA 3.5Å; I62-F150 HydrophobicContact CG1-CB 4.12Å; I62-F150 PolarHBondContact N-O 3.29Å; I62-F150 PolarHBondContact O-N 3.49Å; I62-F152 HydrophobicContact CD1-CE2 3.76Å; I62-F152 HydrophobicContact CD1-CZ 3.98Å; I62-F152 HydrophobicContact CG1-CE2 4.19Å; I62-F152 HydrophobicContact CG2-CE2 4.09Å
63C90.4Very high90.1Very high21 Ų2148.9 Ų48.914%0.14224%0.239CC..EExtended strand (participates in β ladder)trans-132.2154.4166.169.30000109.4Q65 S66 L67 Q149C63-Q65 VanDerWaalsContact C-N 3.31Å; C63-Q65 PolarHBondContact O-N 2.85Å; C63-S66 PolarHBondContact O-N 2.95Å; C63-S66 WeakPolarHBondContact SG-CB 3.49Å; C63-S66 PolarHBondContact SG-N 3.43Å; C63-S66 PolarHBondContact SG-OG 3.28Å; C63-L67 WeakPolarHBondContact O-CG 3.44Å; C63-L67 PolarHBondContact O-N 3.3Å; C63-L67 VanDerWaalsContact O-N 3.08Å; C63-Q149 HydrophobicContact CB-CG 4.35Å
64K89.5Confident90.1Very high62 Ų6251.8 Ų51.827%0.2725%0.254SS..Hα-helixtrans-55.7-45.8-175-177.5-178.5174.9-175.40111.9L67 Q68 I91K64-L67 PolarHBondContact O-N 3.44Å; K64-Q68 VanDerWaalsContact O-CG 3.32Å; K64-Q68 WeakPolarHBondContact O-CG 3.43Å; K64-Q68 PolarHBondContact O-N 3.16Å; K64-I91 HydrophobicContact CB-CD1 4.16Å
65Q88.2Confident90.1Very high63 Ų6351.8 Ų51.829%0.29425%0.254SS..Hα-helixtrans-64.2-44.6-178.9-68.7177.221.500113.1C63 L67 Q68 K69 S146 D147C63-Q65 VanDerWaalsContact C-N 3.31Å; C63-Q65 PolarHBondContact O-N 2.85Å; Q65-L67 VanDerWaalsContact C-N 3.3Å; Q65-L67 PolarHBondContact O-N 3.08Å; Q65-Q68 PolarHBondContact O-N 2.85Å; Q65-K69 WeakPolarHBondContact O-CG 3.28Å; Q65-K69 PolarHBondContact O-N 3.36Å; Q65-S146 WeakPolarHBondContact CG-OG 3.46Å; Q65-S146 VanDerWaalsContact NE2-CB 3.29Å; Q65-S146 PolarHBondContact NE2-OG 2.99Å; Q65-D147 PolarHBondContact NE2-OD1 3.29Å
66S87Confident90Very high72 Ų7248.5 Ų48.550%0.50325%0.248SC..Hα-helixtrans-64.3-38.7178.8-67.90000111.3C63 K69 L70C63-S66 PolarHBondContact O-N 2.95Å; C63-S66 WeakPolarHBondContact SG-CB 3.49Å; C63-S66 PolarHBondContact SG-N 3.43Å; C63-S66 PolarHBondContact SG-OG 3.28Å; S66-K69 PolarHBondContact O-N 2.96Å; S66-L70 WeakPolarHBondContact O-CB 3.36Å; S66-L70 PolarHBondContact O-N 3.33Å
67L90.3Very high89.9Confident4 Ų449.4 Ų49.42%0.02126%0.257CS..Hα-helixtrans-66.6-41175-65.9178.2000112.3L50 I62 C63 K64 Q65 K69 L70 F71 L87 I91L50-L67 HydrophobicContact CD1-CD1 4.41Å; L50-L67 HydrophobicContact CD2-CD1 3.73Å; L50-L67 HydrophobicContact CD2-CD2 3.65Å; L50-L67 HydrophobicContact CD2-CG 4.26Å; I62-L67 HydrophobicContact CB-CD1 4.04Å; I62-L67 HydrophobicContact CB-CD2 4.28Å; I62-L67 HydrophobicContact CB-CG 4.24Å; I62-L67 HydrophobicContact CD1-CD1 3.84Å; I62-L67 HydrophobicContact CG1-CD1 4.45Å; I62-L67 HydrophobicContact CG2-CD2 4.05Å; C63-L67 WeakPolarHBondContact O-CG 3.44Å; C63-L67 PolarHBondContact O-N 3.3Å; C63-L67 VanDerWaalsContact O-N 3.08Å; K64-L67 PolarHBondContact O-N 3.44Å; Q65-L67 VanDerWaalsContact C-N 3.3Å; Q65-L67 PolarHBondContact O-N 3.08Å; L67-K69 PolarHBondContact O-N 3.46Å; L67-L70 PolarHBondContact O-N 2.96Å; L67-F71 HydrophobicContact CB-CD2 4.45Å; L67-F71 HydrophobicContact CD2-CE2 3.98Å; L67-F71 VanDerWaalsContact O-CD2 3.29Å; L67-F71 WeakPolarHBondContact O-CD2 3.44Å; L67-F71 PolarHBondContact O-N 3.33Å; L67-L87 HydrophobicContact CB-CD1 3.84Å; L67-I91 HydrophobicContact CD1-CD1 4.37Å
68Q92Very high89.9Confident33 Ų3350.5 Ų50.515%0.15426%0.262CS..Hα-helixtrans-60.2-46.3175.8-76.1175.7-34.500111.3K64 Q65 T72 Y83 L87K64-Q68 VanDerWaalsContact O-CG 3.32Å; K64-Q68 WeakPolarHBondContact O-CG 3.43Å; K64-Q68 PolarHBondContact O-N 3.16Å; Q65-Q68 PolarHBondContact O-N 2.85Å; Q68-T72 PolarHBondContact O-N 2.84Å; Q68-T72 VanDerWaalsContact O-N 3.08Å; Q68-T72 PolarHBondContact O-OG1 3.43Å; Q68-Y83 HydrophobicContact CB-CD2 4.19Å; Q68-Y83 HydrophobicContact CB-CG 4.16Å; Q68-Y83 HydrophobicContact CG-CD2 3.75Å; Q68-Y83 HydrophobicContact CG-CE2 4.35Å; Q68-Y83 HydrophobicContact CG-CG 4.23Å; Q68-Y83 VanDerWaalsContact NE2-CE2 3.31Å; Q68-Y83 WeakPolarHBondContact O-CB 3.47Å; Q68-L87 HydrophobicContact CG-CD1 3.74Å
69K88.7Confident89.8Confident157 Ų15749.8 Ų49.868%0.68327%0.273SS*.Hα-helixtrans-63.3-45.7176.1-70.7176.8-178.4174.30111.9Q65 S66 L67 F71 T72Q65-K69 WeakPolarHBondContact O-CG 3.28Å; Q65-K69 PolarHBondContact O-N 3.36Å; S66-K69 PolarHBondContact O-N 2.96Å; L67-K69 PolarHBondContact O-N 3.46Å; K69-F71 VanDerWaalsContact C-N 3.34Å; K69-F71 PolarHBondContact O-N 3.25Å; K69-T72 PolarHBondContact O-N 3.34Å
70L88.6Confident89.8Confident78 Ų7852.8 Ų52.841%0.40829%0.288SS..Hα-helixtrans-61.5-40.7-178.5-179.271.8000112.6Y53 S66 L67Y53-L70 HydrophobicContact CD1-CD2 4.08Å; Y53-L70 HydrophobicContact CD2-CD2 4.03Å; Y53-L70 HydrophobicContact CE1-CD2 3.6Å; Y53-L70 HydrophobicContact CE2-CD1 4.22Å; Y53-L70 HydrophobicContact CE2-CD2 3.55Å; Y53-L70 HydrophobicContact CE2-CG 4.43Å; Y53-L70 HydrophobicContact CG-CD2 4.28Å; S66-L70 WeakPolarHBondContact O-CB 3.36Å; S66-L70 PolarHBondContact O-N 3.33Å; L67-L70 PolarHBondContact O-N 2.96Å
71F91.1Very high89.7Confident5 Ų557.4 Ų57.42%0.02231%0.313CS..THydrogen-bonded Turntrans-100.816.4-177.7-63.6-61.7000113.5F9 L11 W15 M25 W46 I49 L50 Y53 L67 K69 R73 P84F9-F71 HydrophobicContact CE1-CE1 4.27Å; L11-F71 HydrophobicContact CD2-CE1 4.49Å; W15-F71 HydrophobicContact CH2-CB 4.19Å; W15-F71 AromaticContact CH2-CD1 3.92Å; W15-F71 HydrophobicContact CH2-CD1 3.92Å; W15-F71 HydrophobicContact CZ3-CD1 4.31Å; M25-F71 WeakPolarHBondContact CE-O 3.19Å; W46-F71 HydrophobicContact CZ3-CB 4.31Å; W46-F71 HydrophobicContact CZ3-CD1 4.48Å; W46-F71 HydrophobicContact CZ3-CG 4.22Å; I49-F71 HydrophobicContact CG2-CD1 4.37Å; I49-F71 HydrophobicContact CG2-CE1 3.53Å; I49-F71 HydrophobicContact CG2-CE2 4.35Å; I49-F71 HydrophobicContact CG2-CZ 3.53Å; L50-F71 HydrophobicContact CD2-CE2 3.71Å; L50-F71 HydrophobicContact CD2-CZ 4.42Å; Y53-F71 HydrophobicContact CG-CZ 4.37Å; L67-F71 HydrophobicContact CB-CD2 4.45Å; L67-F71 HydrophobicContact CD2-CE2 3.98Å; L67-F71 VanDerWaalsContact O-CD2 3.29Å; L67-F71 WeakPolarHBondContact O-CD2 3.44Å; L67-F71 PolarHBondContact O-N 3.33Å; K69-F71 VanDerWaalsContact C-N 3.34Å; K69-F71 PolarHBondContact O-N 3.25Å; F71-R73 PolarHBondContact O-N 2.83Å; F71-P84 HydrophobicContact CB-CG 3.74Å
72T92.3Very high89.7Confident60 Ų6058 Ų5837%0.36832%0.316SS..  trans-66.7130.4171.4-64.70000109.3Q68 K69 D81 L82Q68-T72 PolarHBondContact O-N 2.84Å; Q68-T72 VanDerWaalsContact O-N 3.08Å; Q68-T72 PolarHBondContact O-OG1 3.43Å; K69-T72 PolarHBondContact O-N 3.34Å; T72-D81 HydrophobicContact CG2-CB 3.98Å; T72-L82 WeakPolarHBondContact CA-O 3.22Å
73R91Very high89.7Confident32 Ų3262.2 Ų62.212%0.12133%0.332CS..EExtended strand (participates in β ladder)trans-127.9138.8176.8175.7179.8173.8174.69.2110.2W15 D18 M25 F71 F75 L82W15-R73 HydrophobicContact CZ2-CB 4.34Å; W15-R73 PolarHBondContact O-NH1 3.37Å; W15-R73 PolarHBondContact O-NH2 2.66Å; W15-R73 VanDerWaalsContact O-NH2 3.17Å; D18-R73 IonicContact OD1-CZ 3.37Å; D18-R73 IonicContact OD1-NE 3.57Å; D18-R73 IonicContact OD1-NH2 2.66Å; D18-R73 PolarHBondContact OD1-NH2 2.87Å; M25-R73 HydrophobicContact CE-CB 4.02Å; F71-R73 PolarHBondContact O-N 2.83Å; R73-F75 HydrophobicContact CB-CE2 3.92Å; R73-F75 HydrophobicContact CB-CZ 4.36Å; R73-F75 HydrophobicContact CG-CD2 4.43Å; R73-F75 HydrophobicContact CG-CE2 3.99Å; R73-F75 HydrophobicContact CG-CZ 4.19Å; R73-F75 WeakPolarHBondContact O-CD2 3.49Å; R73-L82 PolarHBondContact N-O 3.15Å; R73-L82 PolarHBondContact O-N 3.23Å
74H90.8Very high89.8Confident105 Ų10561.2 Ų61.249%0.48633%0.325SS..EExtended strand (participates in β ladder)trans-78.4127.6168.7-172.268000110.6D81H74-D81 WeakPolarHBondContact CA-OD1 3.48Å; H74-D81 VanDerWaalsContact CB-OD1 3.3Å; H74-D81 WeakPolarHBondContact CB-OD1 3.48Å; H74-D81 IonicContact CE1-OD1 3.08Å; H74-D81 IonicContact CG-OD1 2.64Å; H74-D81 IonicContact ND1-OD1 3.36Å; H74-D81 PolarHBondContact ND1-OD1 2.92Å
75F90.7Very high89.8Confident1 Ų161.8 Ų61.80%0.00433%0.329CS..EExtended strand (participates in β ladder)trans-104.8108.8174.8-71.7-89.9000109.2D18 M21 Y22 M25 R73 V77 G79 I80 L82D18-F75 WeakPolarHBondContact O-CE1 3.46Å; M21-F75 HydrophobicContact CB-CE1 4.05Å; M21-F75 HydrophobicContact CB-CZ 4.12Å; Y22-F75 AromaticContact CD2-CD1 3.96Å; Y22-F75 HydrophobicContact CD2-CD1 3.96Å; Y22-F75 HydrophobicContact CD2-CE1 4.34Å; Y22-F75 HydrophobicContact CD2-CG 4.09Å; Y22-F75 VanDerWaalsContact N-CE1 3.35Å; M25-F75 HydrophobicContact CE-CZ 4.49Å; M25-F75 HydrophobicContact CG-CE2 3.85Å; M25-F75 HydrophobicContact CG-CZ 3.67Å; R73-F75 HydrophobicContact CB-CE2 3.92Å; R73-F75 HydrophobicContact CB-CZ 4.36Å; R73-F75 HydrophobicContact CG-CD2 4.43Å; R73-F75 HydrophobicContact CG-CE2 3.99Å; R73-F75 HydrophobicContact CG-CZ 4.19Å; R73-F75 WeakPolarHBondContact O-CD2 3.49Å; F75-V77 VanDerWaalsContact C-N 3.35Å; F75-V77 PolarHBondContact O-N 3.33Å; F75-G79 WeakPolarHBondContact O-CA 3.38Å; F75-G79 PolarHBondContact O-N 3.36Å; F75-I80 PolarHBondContact N-O 2.95Å; F75-I80 PolarHBondContact O-N 3Å; F75-L82 HydrophobicContact CD2-CB 3.85Å; F75-L82 HydrophobicContact CD2-CD1 3.89Å; F75-L82 HydrophobicContact CD2-CG 4.11Å; F75-L82 HydrophobicContact CE2-CB 3.7Å; F75-L82 HydrophobicContact CE2-CD1 4.09Å; F75-L82 HydrophobicContact CE2-CG 4.36Å
76P86.2Confident89.9Confident78 Ų7858.8 Ų58.851%0.50632%0.315SS..THydrogen-bonded Turntrans-70.7-27.9-167.826.4-34.3000113.7
77V86.6Confident90.1Very high117 Ų11755.4 Ų55.471%0.70929%0.291SS*.THydrogen-bonded Turntrans-71.2-43.2-178.21780000110.9F75F75-V77 VanDerWaalsContact C-N 3.35Å; F75-V77 PolarHBondContact O-N 3.33Å
78E86.9Confident90Very high81 Ų8156.5 Ų56.538%0.37930%0.303SS..THydrogen-bonded Turntrans-86.4-19.2178.7-65.577.3-167.900112.9Y22 I80Y22-E78 HydrophobicContact CE2-CG 3.79Å; E78-I80 VanDerWaalsContact C-N 3.33Å; E78-I80 HydrophobicContact CB-CD1 3.96Å; E78-I80 HydrophobicContact CB-CG1 3.72Å
79G88.8Confident89.9Confident51 Ų5157.9 Ų57.953%0.52631%0.31SS..THydrogen-bonded Turntrans68.131-17700000113.3F75F75-G79 WeakPolarHBondContact O-CA 3.38Å; F75-G79 PolarHBondContact O-N 3.36Å
80I91.1Very high90Very high66 Ų6650.4 Ų50.434%0.33828%0.277SS..EExtended strand (participates in β ladder)trans-126.2147.7-176.564.2179.5000111.7Y22 F75 E78 L82Y22-I80 HydrophobicContact CE2-CD1 4.28Å; F75-I80 PolarHBondContact N-O 2.95Å; F75-I80 PolarHBondContact O-N 3Å; E78-I80 VanDerWaalsContact C-N 3.33Å; E78-I80 HydrophobicContact CB-CD1 3.96Å; E78-I80 HydrophobicContact CB-CG1 3.72Å; I80-L82 HydrophobicContact CD1-CD1 3.85Å; I80-L82 HydrophobicContact CD1-CD2 3.92Å; I80-L82 HydrophobicContact CD1-CG 3.8Å; I80-L82 HydrophobicContact CG1-CD1 4.27Å; I80-L82 HydrophobicContact CG1-CG 4Å
81D91.5Very high90.2Very high105 Ų10547 Ų4756%0.56126%0.26SS*.EExtended strand (participates in β ladder)trans-89.6123.8167.2-65-24.7000108.9T72 H74T72-D81 HydrophobicContact CG2-CB 3.98Å; H74-D81 WeakPolarHBondContact CA-OD1 3.48Å; H74-D81 VanDerWaalsContact CB-OD1 3.3Å; H74-D81 WeakPolarHBondContact CB-OD1 3.48Å; H74-D81 IonicContact CE1-OD1 3.08Å; H74-D81 IonicContact CG-OD1 2.64Å; H74-D81 IonicContact ND1-OD1 3.36Å; H74-D81 PolarHBondContact ND1-OD1 2.92Å
82L91.6Very high90.1Very high18 Ų1850.6 Ų50.69%0.09429%0.285CS..EExtended strand (participates in β ladder)trans-117.4134.5175.1-68.9171.9000109.8Y22 M25 T72 R73 F75 I80Y22-L82 HydrophobicContact CD2-CD1 3.65Å; Y22-L82 HydrophobicContact CE2-CD1 3.46Å; Y22-L82 VanDerWaalsContact CE2-CD1 3.46Å; M25-L82 HydrophobicContact CB-CB 4.18Å; M25-L82 HydrophobicContact CB-CD1 4.46Å; M25-L82 HydrophobicContact CG-CB 4.41Å; T72-L82 WeakPolarHBondContact CA-O 3.22Å; R73-L82 PolarHBondContact N-O 3.15Å; R73-L82 PolarHBondContact O-N 3.23Å; F75-L82 HydrophobicContact CD2-CB 3.85Å; F75-L82 HydrophobicContact CD2-CD1 3.89Å; F75-L82 HydrophobicContact CD2-CG 4.11Å; F75-L82 HydrophobicContact CE2-CB 3.7Å; F75-L82 HydrophobicContact CE2-CD1 4.09Å; F75-L82 HydrophobicContact CE2-CG 4.36Å; I80-L82 HydrophobicContact CD1-CD1 3.85Å; I80-L82 HydrophobicContact CD1-CD2 3.92Å; I80-L82 HydrophobicContact CD1-CG 3.8Å; I80-L82 HydrophobicContact CG1-CD1 4.27Å; I80-L82 HydrophobicContact CG1-CG 4Å
83Y91.3Very high90Very high98 Ų9848.6 Ų48.638%0.38427%0.272SS..  trans-100.5161.5162.556.6-96000109.1Q68 Q85Q68-Y83 HydrophobicContact CB-CD2 4.19Å; Q68-Y83 HydrophobicContact CB-CG 4.16Å; Q68-Y83 HydrophobicContact CG-CD2 3.75Å; Q68-Y83 HydrophobicContact CG-CE2 4.35Å; Q68-Y83 HydrophobicContact CG-CG 4.23Å; Q68-Y83 VanDerWaalsContact NE2-CE2 3.31Å; Q68-Y83 WeakPolarHBondContact O-CB 3.47Å; Y83-Q85 HydrophobicContact CD2-CG 4.29Å; Y83-Q85 HydrophobicContact CE2-CG 3.94Å; Y83-Q85 PolarHBondContact O-N 3.39Å
84P92Very high90Very high0 Ų047.1 Ų47.10%027%0.267CS..  trans-71.4109.5-179.70.911.8000110M25 W46 F71 S86 L87M25-P84 HydrophobicContact CE-CG 4.4Å; M25-P84 HydrophobicContact SD-CB 3.68Å; M25-P84 HydrophobicContact SD-CG 3.61Å; W46-P84 HydrophobicContact CD2-CB 4.16Å; W46-P84 HydrophobicContact CE3-CB 4.38Å; W46-P84 HydrophobicContact CE3-CG 4.21Å; W46-P84 HydrophobicContact CH2-CB 3.69Å; W46-P84 HydrophobicContact CH2-CG 3.37Å; W46-P84 HydrophobicContact CZ2-CB 3.41Å; W46-P84 VanDerWaalsContact CZ2-CB 3.41Å; W46-P84 HydrophobicContact CZ2-CG 3.69Å; W46-P84 HydrophobicContact CZ3-CB 4.15Å; W46-P84 HydrophobicContact CZ3-CG 3.64Å; F71-P84 HydrophobicContact CB-CG 3.74Å; P84-S86 PolarHBondContact O-N 3.4Å; P84-L87 HydrophobicContact CB-CD1 4.24Å; P84-L87 HydrophobicContact CB-CD2 4.48Å; P84-L87 HydrophobicContact CB-CG 3.94Å; P84-L87 HydrophobicContact CG-CD1 3.95Å; P84-L87 HydrophobicContact CG-CG 4.12Å; P84-L87 WeakPolarHBondContact O-CG 3.35Å; P84-L87 PolarHBondContact O-N 2.82Å
85Q89.5Confident90Very high74 Ų7443.7 Ų43.735%0.34625%0.253SS..THydrogen-bonded Turntrans-72.4-21.7-177.1-62-169.29.800111.9M25 P27 Y83 L87M25-Q85 PolarHBondContact O-N 2.97Å; P27-Q85 HydrophobicContact CB-CB 3.99Å; P27-Q85 VanDerWaalsContact CD-OE1 3.24Å; Y83-Q85 HydrophobicContact CD2-CG 4.29Å; Y83-Q85 HydrophobicContact CE2-CG 3.94Å; Y83-Q85 PolarHBondContact O-N 3.39Å; Q85-L87 VanDerWaalsContact C-N 3.26Å; Q85-L87 PolarHBondContact O-N 2.84Å
86S90Very high90Very high0 Ų047 Ų470%028%0.276CS..THydrogen-bonded Turntrans-781.4178.560.40000115W46 P84 G88 E89 V90W46-S86 PolarHBondContact NE1-OG 2.91Å; P84-S86 PolarHBondContact O-N 3.4Å; S86-G88 PolarHBondContact O-N 3.22Å; S86-E89 VanDerWaalsContact C-OE2 3.26Å; S86-E89 VanDerWaalsContact CA-OE2 3.25Å; S86-E89 WeakPolarHBondContact CA-OE2 3.42Å; S86-E89 PolarHBondContact O-N 3.04Å; S86-V90 VanDerWaalsContact O-CG2 3.23Å; S86-V90 WeakPolarHBondContact O-CG2 3.36Å; S86-V90 PolarHBondContact O-N 3.43Å
87L90.8Very high90.1Very high0 Ų047.9 Ų47.90%027%0.274CS..Hα-helixtrans-61.6-29.3-176.6-76.3173000113L50 L67 Q68 P84 Q85 V90 I91L50-L87 HydrophobicContact CD1-CD2 4.44Å; L67-L87 HydrophobicContact CB-CD1 3.84Å; Q68-L87 HydrophobicContact CG-CD1 3.74Å; P84-L87 HydrophobicContact CB-CD1 4.24Å; P84-L87 HydrophobicContact CB-CD2 4.48Å; P84-L87 HydrophobicContact CB-CG 3.94Å; P84-L87 HydrophobicContact CG-CD1 3.95Å; P84-L87 HydrophobicContact CG-CG 4.12Å; P84-L87 WeakPolarHBondContact O-CG 3.35Å; P84-L87 PolarHBondContact O-N 2.82Å; Q85-L87 VanDerWaalsContact C-N 3.26Å; Q85-L87 PolarHBondContact O-N 2.84Å; L87-V90 PolarHBondContact O-N 3.08Å; L87-I91 WeakPolarHBondContact O-CB 3.29Å; L87-I91 VanDerWaalsContact O-CG1 3.23Å; L87-I91 WeakPolarHBondContact O-CG1 3.43Å; L87-I91 PolarHBondContact O-N 3.19Å
88G89.2Confident90.1Very high27 Ų2744.6 Ų44.628%0.27826%0.263SS..Hα-helixtrans-63.8-46.8177.500000111.9S86 I91 S92S86-G88 PolarHBondContact O-N 3.22Å; G88-I91 PolarHBondContact O-N 2.94Å; G88-S92 WeakPolarHBondContact O-CB 3.25Å; G88-S92 PolarHBondContact O-N 3.03Å
89E89.1Confident90.2Very high62 Ų6243 Ų4329%0.2926%0.259SS..Hα-helixtrans-67-38.9177.1-61.190.215100111.3I28 I43 S86 S92 D93I28-E89 HydrophobicContact CD1-CB 4.07Å; I28-E89 HydrophobicContact CD1-CG 4.4Å; I43-E89 HydrophobicContact CD1-CB 4.1Å; S86-E89 VanDerWaalsContact C-OE2 3.26Å; S86-E89 VanDerWaalsContact CA-OE2 3.25Å; S86-E89 WeakPolarHBondContact CA-OE2 3.42Å; S86-E89 PolarHBondContact O-N 3.04Å; E89-S92 PolarHBondContact O-N 3.44Å; E89-D93 WeakPolarHBondContact O-CB 3.49Å; E89-D93 PolarHBondContact O-N 2.94Å
90V91.9Very high90.2Very high0 Ų040.6 Ų40.60%023%0.234CC..Hα-helixtrans-62.6-45.6175.61770000111.4I43 W46 L50 S86 L87 D93 L94I43-V90 HydrophobicContact CD1-CB 4.29Å; I43-V90 HydrophobicContact CD1-CG2 3.54Å; W46-V90 HydrophobicContact CB-CB 4.45Å; W46-V90 HydrophobicContact CB-CG1 4.02Å; W46-V90 HydrophobicContact CB-CG2 3.66Å; W46-V90 HydrophobicContact CG-CG2 4.23Å; L50-V90 HydrophobicContact CD1-CG1 3.82Å; S86-V90 VanDerWaalsContact O-CG2 3.23Å; S86-V90 WeakPolarHBondContact O-CG2 3.36Å; S86-V90 PolarHBondContact O-N 3.43Å; L87-V90 PolarHBondContact O-N 3.08Å; V90-D93 PolarHBondContact O-N 3.34Å; V90-L94 HydrophobicContact CG1-CD1 4.03Å; V90-L94 WeakPolarHBondContact O-CB 3.45Å; V90-L94 WeakPolarHBondContact O-CG 3.35Å; V90-L94 PolarHBondContact O-N 3.44Å
91I91.4Very high90.1Very high8 Ų841.8 Ų41.84%0.04124%0.238CC..Hα-helixtrans-63.7-44.2176.7-69.5166.5000109.9K64 L67 L87 G88 D93 L94 V95 L100 F150K64-I91 HydrophobicContact CB-CD1 4.16Å; L67-I91 HydrophobicContact CD1-CD1 4.37Å; L87-I91 WeakPolarHBondContact O-CB 3.29Å; L87-I91 VanDerWaalsContact O-CG1 3.23Å; L87-I91 WeakPolarHBondContact O-CG1 3.43Å; L87-I91 PolarHBondContact O-N 3.19Å; G88-I91 PolarHBondContact O-N 2.94Å; I91-D93 VanDerWaalsContact C-N 3.32Å; I91-D93 PolarHBondContact O-N 2.89Å; I91-L94 PolarHBondContact O-N 3.05Å; I91-V95 HydrophobicContact CG2-CG2 4.32Å; I91-V95 VanDerWaalsContact O-CG2 3.26Å; I91-V95 WeakPolarHBondContact O-CG2 3.02Å; I91-V95 PolarHBondContact O-N 3.47Å; I91-L100 HydrophobicContact CG2-CD1 4.34Å; I91-F150 HydrophobicContact CG2-CD1 4.09Å; I91-F150 HydrophobicContact CG2-CD2 3.84Å; I91-F150 HydrophobicContact CG2-CE1 3.94Å; I91-F150 HydrophobicContact CG2-CE2 3.68Å; I91-F150 HydrophobicContact CG2-CG 4.04Å; I91-F150 HydrophobicContact CG2-CZ 3.73Å
92S89.7Confident89.9Confident79 Ų7939.2 Ų39.255%0.55223%0.227SC*.Hα-helixtrans-61.2-40177.6-1730000112.5G88 E89 S96G88-S92 WeakPolarHBondContact O-CB 3.25Å; G88-S92 PolarHBondContact O-N 3.03Å; E89-S92 PolarHBondContact O-N 3.44Å; S92-S96 WeakPolarHBondContact O-CB 3.41Å; S92-S96 PolarHBondContact O-N 2.66Å
93D90.1Very high89.5Confident18 Ų1840 Ų4010%0.09623%0.233CC..Hα-helixtrans-67.8-45177.9-162.885.1000110.4K32 I43 E89 V90 I91 V95 S96 E97K32-D93 IonicContact NZ-OD1 2.57Å; I43-D93 HydrophobicContact CG2-CB 4.08Å; I43-D93 WeakPolarHBondContact CG2-OD2 3.38Å; E89-D93 WeakPolarHBondContact O-CB 3.49Å; E89-D93 PolarHBondContact O-N 2.94Å; V90-D93 PolarHBondContact O-N 3.34Å; I91-D93 VanDerWaalsContact C-N 3.32Å; I91-D93 PolarHBondContact O-N 2.89Å; D93-V95 VanDerWaalsContact C-N 3.33Å; D93-V95 PolarHBondContact O-N 2.92Å; D93-S96 PolarHBondContact O-N 2.95Å; D93-S96 VanDerWaalsContact O-N 3.08Å; D93-S96 PolarHBondContact O-OG 2.93Å; D93-E97 WeakPolarHBondContact O-CG 3.2Å; D93-E97 PolarHBondContact O-N 3.39Å
94L91Very high88.7Confident1 Ų142.1 Ų42.11%0.00525%0.249CC..Hα-helixtrans-60.9-37175.1-79.2171.2000113.7K47 L50 V90 I91 G98 V99 L100K47-L94 HydrophobicContact CD-CD2 3.79Å; K47-L94 HydrophobicContact CG-CD2 3.87Å; L50-L94 HydrophobicContact CD1-CD1 4Å; V90-L94 HydrophobicContact CG1-CD1 4.03Å; V90-L94 WeakPolarHBondContact O-CB 3.45Å; V90-L94 WeakPolarHBondContact O-CG 3.35Å; V90-L94 PolarHBondContact O-N 3.44Å; I91-L94 PolarHBondContact O-N 3.05Å; L94-G98 PolarHBondContact O-N 3.34Å; L94-V99 HydrophobicContact CD2-CB 3.92Å; L94-V99 HydrophobicContact CD2-CG1 3.88Å; L94-V99 HydrophobicContact CD2-CG2 4.43Å; L94-V99 PolarHBondContact O-N 3.48Å; L94-L100 HydrophobicContact CB-CB 4.14Å; L94-L100 HydrophobicContact CB-CD1 3.58Å; L94-L100 HydrophobicContact CB-CG 3.84Å; L94-L100 HydrophobicContact CD1-CD1 3.62Å; L94-L100 HydrophobicContact CD1-CG 4.23Å; L94-L100 HydrophobicContact CG-CD1 4.23Å; L94-L100 PolarHBondContact O-N 2.69Å
95V91.2Very high87.3Confident33 Ų3346.7 Ų46.720%0.228%0.279CS..Hα-helixtrans-69.1-41.2173.7171.90000110.4I91 D93 E97 G98 L100 W127 F150I91-V95 HydrophobicContact CG2-CG2 4.32Å; I91-V95 VanDerWaalsContact O-CG2 3.26Å; I91-V95 WeakPolarHBondContact O-CG2 3.02Å; I91-V95 PolarHBondContact O-N 3.47Å; D93-V95 VanDerWaalsContact C-N 3.33Å; D93-V95 PolarHBondContact O-N 2.92Å; V95-E97 VanDerWaalsContact C-N 3.25Å; V95-E97 PolarHBondContact O-N 3.34Å; V95-G98 PolarHBondContact O-N 2.75Å; V95-L100 WeakPolarHBondContact CA-O 3.4Å; V95-L100 HydrophobicContact CG2-CB 3.8Å; V95-W127 HydrophobicContact CG1-CH2 4.48Å; V95-F150 HydrophobicContact CG2-CD1 3.75Å; V95-F150 HydrophobicContact CG2-CE1 3.82Å
96S89.2Confident85.6Confident70 Ų7046.7 Ų46.749%0.4928%0.281SS..Hα-helixtrans-65.2-29.1178.578.30000113.4S92 D93 G98S92-S96 WeakPolarHBondContact O-CB 3.41Å; S92-S96 PolarHBondContact O-N 2.66Å; D93-S96 PolarHBondContact O-N 2.95Å; D93-S96 VanDerWaalsContact O-N 3.08Å; D93-S96 PolarHBondContact O-OG 2.93Å; S96-G98 VanDerWaalsContact C-N 3.33Å
97E88.7Confident83.6Confident97 Ų9754.8 Ų54.845%0.45331%0.312SS..THydrogen-bonded Turntrans-82.1-8.1173.8-69-180149.700113.5K47 D93 V95 V99K47-E97 WeakPolarHBondContact CE-OE2 3.4Å; K47-E97 IonicContact NZ-OE1 3.18Å; K47-E97 PolarHBondContact NZ-OE1 3.07Å; K47-E97 IonicContact NZ-OE2 3.04Å; K47-E97 PolarHBondContact NZ-OE2 2.84Å; D93-E97 WeakPolarHBondContact O-CG 3.2Å; D93-E97 PolarHBondContact O-N 3.39Å; V95-E97 VanDerWaalsContact C-N 3.25Å; V95-E97 PolarHBondContact O-N 3.34Å; E97-V99 VanDerWaalsContact C-N 3.3Å; E97-V99 HydrophobicContact CB-CG2 4.08Å
98G87.1Confident81.3Confident48 Ų4859 Ų5950%0.49534%0.342SS..THydrogen-bonded Turntrans74.915.1-176.600000114.6L94 V95 S96L94-G98 PolarHBondContact O-N 3.34Å; V95-G98 PolarHBondContact O-N 2.75Å; S96-G98 VanDerWaalsContact C-N 3.33Å
99V89.9Confident79.1Confident47 Ų4761.8 Ų61.829%0.28535%0.349SS..SBendtrans-81.2-32.5176.4179.30000111.1L51 L94 E97 F152L51-V99 HydrophobicContact CD2-CG1 4.05Å; L94-V99 HydrophobicContact CD2-CB 3.92Å; L94-V99 HydrophobicContact CD2-CG1 3.88Å; L94-V99 HydrophobicContact CD2-CG2 4.43Å; L94-V99 PolarHBondContact O-N 3.48Å; E97-V99 VanDerWaalsContact C-N 3.3Å; E97-V99 HydrophobicContact CB-CG2 4.08Å; V99-F152 HydrophobicContact CG1-CD1 4Å; V99-F152 HydrophobicContact CG1-CE1 4.1Å
100L88.9Confident76.6Confident2 Ų263.4 Ų63.41%0.0136%0.359CS..  trans-113.5138174-77.5179.1000110.8I62 I91 L94 V95 F150 V151 F152I62-L100 HydrophobicContact CD1-CD1 3.78Å; I62-L100 HydrophobicContact CD1-CD2 3.94Å; I62-L100 HydrophobicContact CG1-CD2 4.32Å; I91-L100 HydrophobicContact CG2-CD1 4.34Å; L94-L100 HydrophobicContact CB-CB 4.14Å; L94-L100 HydrophobicContact CB-CD1 3.58Å; L94-L100 HydrophobicContact CB-CG 3.84Å; L94-L100 HydrophobicContact CD1-CD1 3.62Å; L94-L100 HydrophobicContact CD1-CG 4.23Å; L94-L100 HydrophobicContact CG-CD1 4.23Å; L94-L100 PolarHBondContact O-N 2.69Å; V95-L100 WeakPolarHBondContact CA-O 3.4Å; V95-L100 HydrophobicContact CG2-CB 3.8Å; L100-F150 HydrophobicContact CB-CB 4.45Å; L100-F150 HydrophobicContact CD1-CB 4.3Å; L100-F150 HydrophobicContact CD2-CB 4.17Å; L100-V151 WeakPolarHBondContact CA-O 3.2Å; L100-F152 HydrophobicContact CD2-CD1 3.5Å; L100-F152 VanDerWaalsContact CD2-CD1 3.5Å; L100-F152 HydrophobicContact CD2-CD2 3.89Å; L100-F152 HydrophobicContact CD2-CE1 3.47Å; L100-F152 VanDerWaalsContact CD2-CE1 3.47Å; L100-F152 HydrophobicContact CD2-CE2 3.87Å; L100-F152 HydrophobicContact CD2-CG 3.72Å; L100-F152 HydrophobicContact CD2-CZ 3.66Å; L100-F152 HydrophobicContact CG-CD1 4.2Å; L100-F152 HydrophobicContact CG-CE1 3.87Å; L100-F152 HydrophobicContact CG-CZ 4.25Å
101E87.8Confident73.8Confident90 Ų9066.4 Ų66.442%0.42139%0.39SS..EExtended strand (participates in β ladder)trans-119.3142.3173.4-69.5171.2-143.500109.8V103 F150 V151 S153E101-V103 PolarHBondContact O-N 3.03Å; E101-F150 CarbonylContact O-C 3.57Å; E101-F150 VanDerWaalsContact O-CA 3.28Å; E101-F150 WeakPolarHBondContact O-CA 3.42Å; E101-V151 HydrophobicContact CB-CG1 4.25Å; E101-V151 PolarHBondContact N-O 3.19Å; E101-V151 PolarHBondContact O-N 2.81Å; E101-S153 WeakPolarHBondContact OE1-CB 3.21Å; E101-S153 PolarHBondContact OE1-OG 3.07Å
102P86.8Confident71.2Confident51 Ų5172.9 Ų72.933%0.33143%0.425SS..EExtended strand (participates in β ladder)trans-67.7131.2173.228.9-33.3000109.8I104 F150P102-I104 PolarHBondContact O-N 3.38Å; P102-F150 HydrophobicContact CB-CD1 4.46Å; P102-F150 HydrophobicContact CB-CE1 4.45Å
103V83.6Confident68.9Low36 Ų3674.4 Ų74.422%0.21843%0.426CS..  trans-70.1118176.1179.70000108.5V61 E101 P105 Q149 V151 Y204V61-V103 HydrophobicContact CG1-CG2 4.46Å; E101-V103 PolarHBondContact O-N 3.03Å; V103-P105 WeakPolarHBondContact O-CD 3.3Å; V103-Q149 HydrophobicContact CB-CB 4.1Å; V103-Q149 HydrophobicContact CG2-CB 4.04Å; V103-Q149 PolarHBondContact N-O 2.8Å; V103-V151 HydrophobicContact CG2-CB 3.79Å; V103-V151 HydrophobicContact CG2-CG1 3.96Å; V103-Y204 HydrophobicContact CG1-CD2 4.2Å; V103-Y204 HydrophobicContact CG2-CD2 4.3Å; V103-Y204 HydrophobicContact CG2-CE2 4.41Å
104I74.5Confident66.4Low141 Ų14181 Ų8172%0.72345%0.454SS*.  trans-89.3113173.8-57174000107.1P102 N106P102-I104 PolarHBondContact O-N 3.38Å; I104-N106 PolarHBondContact O-N 3.42Å
105P63.2Low63.6Low97 Ų9787.1 Ų87.163%0.6349%0.491SS*.  trans-64.4106.7-179.124.2-32.1000109.9V103 R107V103-P105 WeakPolarHBondContact O-CD 3.3Å; P105-R107 PolarHBondContact O-N 3.08Å
106N54.4Low60.6Low73 Ų7389.5 Ų89.539%0.3951%0.514SS..  trans-83.3108.1172.9-165.1-4.6000109.1I104 S108 N211I104-N106 PolarHBondContact O-N 3.42Å; N106-S108 PolarHBondContact O-N 3.18Å; N106-S108 VanDerWaalsContact O-N 3.15Å; N106-S108 WeakPolarHBondContact OD1-CB 3.49Å; N106-S108 PolarHBondContact OD1-N 3.01Å; N106-S108 PolarHBondContact OD1-OG 3.36Å; N106-N211 WeakPolarHBondContact ND2-CB 3.32Å
107R48.2Very low58Low170 Ų17096.2 Ų96.264%0.64254%0.535SS*.  trans-73.31.6-176.9-75.8-172172.9-161.7-4.2114.6P105 V120P105-R107 PolarHBondContact O-N 3.08Å; R107-V120 VanDerWaalsContact NH2-CB 3.32Å
108S42.3Very low55.3Low89 Ų8996.5 Ų96.562%0.62255%0.548SS*.SBendtrans-91-12.4-152-54.40000116.8N106N106-S108 PolarHBondContact O-N 3.18Å; N106-S108 VanDerWaalsContact O-N 3.15Å; N106-S108 WeakPolarHBondContact OD1-CB 3.49Å; N106-S108 PolarHBondContact OD1-N 3.01Å; N106-S108 PolarHBondContact OD1-OG 3.36Å
109I42.3Very low53.1Low85 Ų85102.6 Ų102.644%0.43656%0.557SS.*SBendtrans-135.7-8.3-177.6-55.6-171.3000115.8N211I109-N211 WeakPolarHBondContact CD1-OD1 3.38Å
110L36.8Very low50.5Low97 Ų97104.4 Ų104.451%0.50857%0.568SS.*  trans-102.727174.4-65.9176.4000114N112 F206L110-N112 VanDerWaalsContact C-N 3.3Å; L110-N112 PolarHBondContact O-N 2.81Å; L110-F206 HydrophobicContact CD2-CD1 4.44Å; L110-F206 HydrophobicContact CD2-CE1 4.12Å
111G33Very low48.6Very low62 Ų62109.7 Ų109.764%0.63960%0.6SS**THydrogen-bonded Turntrans-74.678.8172.200000111.6
112N37.3Very low46.4Very low144 Ų144113.5 Ų113.577%0.7762%0.618SS**THydrogen-bonded Turntrans152.10.9147-76-10.1000115.3L110L110-N112 VanDerWaalsContact C-N 3.3Å; L110-N112 PolarHBondContact O-N 2.81Å
113I41Very low44.6Very low112 Ų112120.8 Ų120.857%0.57464%0.644SS**THydrogen-bonded Turntrans-109.7-16.3-175.4-58.6-180000114.7
114F38.4Very low42.8Very low157 Ų157124.2 Ų124.269%0.68967%0.667SS**  trans-137.848.2177.2-95.1-87.1000113.7A116F114-A116 VanDerWaalsContact C-N 3.26Å; F114-A116 PolarHBondContact O-N 3.16Å
115T31.7Very low41.6Very low129 Ų129123.9 Ų123.979%0.79167%0.665SS**  trans-7480.9170.552.30000111
116A28.6Very low41Very low82 Ų82123.4 Ų123.468%0.67867%0.665SS**SBendtrans-15761.1158.300000111F114F114-A116 VanDerWaalsContact C-N 3.26Å; F114-A116 PolarHBondContact O-N 3.16Å
117F34.3Very low40.2Very low212 Ų212128.4 Ų128.493%0.9368%0.678SS**  trans-178.195.9134.8-104.3-77000107.8Y119F117-Y119 PolarHBondContact O-N 2.86Å
118S31Very low40.1Very low103 Ų103123.5 Ų123.572%0.7267%0.673SS**  trans-66.8119.6173.5450000110.7
119Y40.7Very low40.2Very low175 Ų175127.3 Ų127.369%0.68668%0.675SS**  trans-134.1111.9148-130.8-99.9000111.5F117 V121F117-Y119 PolarHBondContact O-N 2.86Å; Y119-V121 HydrophobicContact CD1-CG2 3.55Å; Y119-V121 HydrophobicContact CE1-CG2 3.37Å
120V36.1Very low40.5Very low86 Ų86129.2 Ų129.252%0.52168%0.682SS.*  trans-97.4108.3172.7-179.40000105.7R107R107-V120 VanDerWaalsContact NH2-CB 3.32Å
121V48.3Very low41.2Very low112 Ų112133.3 Ų133.368%0.67969%0.692SS**  trans-140.2143.7157.6-170.30000109.7Y119Y119-V121 HydrophobicContact CD1-CG2 3.55Å; Y119-V121 HydrophobicContact CE1-CG2 3.37Å
122H42Very low42.1Very low171 Ų171137.5 Ų137.579%0.79270%0.699SS**  trans-72.9160.5-153.8-75.8-102.5000114.9
123K49.5Very low42.6Very low203 Ų203136.2 Ų136.288%0.88369%0.693SS**  trans-57.1165.1-176.5-85.5-167.5176.9-175.80116.3
124P45.2Very low42.5Very low109 Ų109134.4 Ų134.471%0.70870%0.702SS**  trans-106.2170.9-157.740-29.6000113.6
125I49.9Very low42.3Very low133 Ų133134.6 Ų134.668%0.68271%0.705SS**  trans162.3-25.1148.3-82.2153.8000110.3W127I125-W127 PolarHBondContact O-N 2.83Å
126S50.7Low42.5Very low88 Ų88134.1 Ų134.162%0.61570%0.704SS**Hα-helixtrans-69.9-37.1-171.458.50000114.5A128 Y129 H130S126-A128 PolarHBondContact O-N 2.93Å; S126-Y129 PolarHBondContact O-N 3.39Å; S126-H130 PolarHBondContact O-CD2 2.83Å
127W37.7Very low42.8Very low178 Ų178134.5 Ų134.567%0.67470%0.701SS**Hα-helixtrans-69.9-32.5-173.9-176.556.9000114.2V95 I125 Y129 H130V95-W127 HydrophobicContact CG1-CH2 4.48Å; I125-W127 PolarHBondContact O-N 2.83Å; W127-Y129 VanDerWaalsContact C-N 3.27Å; W127-Y129 PolarHBondContact O-N 2.89Å; W127-H130 PolarHBondContact O-N 3.32Å; W127-H130 VanDerWaalsContact O-N 3.08Å
128A45.8Very low42.9Very low66 Ų66129.7 Ų129.755%0.54569%0.694SS.*Hα-helixtrans-66-29.517700000112.7S126 H130S126-A128 PolarHBondContact O-N 2.93Å; A128-H130 VanDerWaalsContact C-N 3.32Å
129Y44.5Very low42.9Very low169 Ų169132.5 Ų132.566%0.66370%0.701SS**Hα-helixtrans-72.2-24.5173.7-105.1-84.6000112.9S126 W127S126-Y129 PolarHBondContact O-N 3.39Å; W127-Y129 VanDerWaalsContact C-N 3.27Å; W127-Y129 PolarHBondContact O-N 2.89Å
130H48Very low42.6Very low125 Ų125129.4 Ų129.458%0.57970%0.702SS**Hα-helixtrans-83.2-21.9-175.9-74.7-66.6000114.1S126 W127 A128S126-H130 PolarHBondContact O-CD2 2.83Å; W127-H130 PolarHBondContact O-N 3.32Å; W127-H130 VanDerWaalsContact O-N 3.08Å; A128-H130 VanDerWaalsContact C-N 3.32Å
131Y51.2Low42.4Very low183 Ų183132.6 Ų132.672%0.71872%0.715SS**Hα-helixtrans-87-24.4175.5-150.6-97.7000113.2
132L51.8Low41.4Very low150 Ų150136.5 Ų136.579%0.78573%0.726SS**Hα-helixtrans-82.6-19.5179.6-101.8135.5000114.4
133N48.2Very low40.9Very low118 Ų118133.9 Ų133.963%0.63172%0.722SS**SBendtrans-105.412.5-173.5-91.535.1000116.2Q135N133-Q135 PolarHBondContact O-N 3.28Å
134G38.6Very low40.2Very low74 Ų74131.3 Ų131.376%0.76372%0.718SS**  trans58.118.9162.100000117.4
135Q35.4Very low40.4Very low161 Ų161130 Ų13075%0.75271%0.709SS**  trans-93.7126.4178-84.8-101.1-44.600110.5N133 S137N133-Q135 PolarHBondContact O-N 3.28Å; Q135-S137 PolarHBondContact O-N 2.81Å
136P34.9Very low40.5Very low119 Ų119125.1 Ų125.177%0.77369%0.686SS**  trans-74.8100175.530.3-29.6000108.3S138P136-S138 PolarHBondContact O-N 3.32Å
137S34.6Very low41.3Very low90 Ų90125.1 Ų125.163%0.62968%0.679SS**  trans-84.3109.8177.944.50000110.3Q135Q135-S137 PolarHBondContact O-N 2.81Å
138S36.2Very low43.4Very low110 Ų110120.3 Ų120.377%0.76966%0.664SS**  trans-60126.4157.149.30000110.1P136P136-S138 PolarHBondContact O-N 3.32Å
139N32.2Very low45.4Very low162 Ų162121.5 Ų121.587%0.86666%0.659SS**  trans15.1117.3169.1-68.4-3.9000118.6
140P33.1Very low47.6Very low110 Ų110114.5 Ų114.571%0.71463%0.631SS**  trans-125.1116.7137.122.7-4.5000110.6
141L31.8Very low49.8Very low153 Ų153108.6 Ų108.680%0.80160%0.604SS**  trans56.5100.6133.9-150.370.6000116.7T143L141-T143 PolarHBondContact O-N 2.65Å
142E28.4Very low51.7Low195 Ų195100 Ų10091%0.91157%0.571SS**  trans-3.680.8146.3-62.2173.5175.100115.1
143T32Very low53.5Low115 Ų11593.6 Ų93.671%0.70654%0.538SS*.  trans-98.3114.6152.344.60000106.3L141 T145L141-T143 PolarHBondContact O-N 2.65Å; T143-T145 PolarHBondContact O-N 3.11Å
144D34Very low55.5Low149 Ų14993.4 Ų93.480%0.79753%0.533SS*.  trans-61.383.5-178.3-139-10.3000109.5S146D144-S146 PolarHBondContact O-N 3.29Å
145T49Very low58Low83 Ų8392.9 Ų92.951%0.50951%0.51SS..G310 helixtrans-705.7176.239.50000112.2T143 D147 Q148T143-T145 PolarHBondContact O-N 3.11Å; T145-D147 VanDerWaalsContact C-N 3.28Å; T145-D147 PolarHBondContact O-N 3.17Å; T145-Q148 PolarHBondContact O-N 2.86Å
146S53.1Low60.7Low29 Ų2985.2 Ų85.220%0.20347%0.474CS..G310 helixtrans-63.1-34.3-174.2-150.90000112.6Q65 D144Q65-S146 WeakPolarHBondContact CG-OG 3.46Å; Q65-S146 VanDerWaalsContact NE2-CB 3.29Å; Q65-S146 PolarHBondContact NE2-OG 2.99Å; D144-S146 PolarHBondContact O-N 3.29Å
147D67.7Low63.4Low88 Ų8882.1 Ų82.147%0.47145%0.45SS..G310 helixtrans-99.91.9-175.5-70.2-15.1000114Q65 T145 Q149Q65-D147 PolarHBondContact NE2-OD1 3.29Å; T145-D147 VanDerWaalsContact C-N 3.28Å; T145-D147 PolarHBondContact O-N 3.17Å; D147-Q149 PolarHBondContact O-N 3.1Å
148Q81.8Confident66.2Low78 Ų7880.9 Ų80.936%0.36444%0.436SS..  trans-67.2127.5-179.8-170.5171.84.500110.6T145 F150T145-Q148 PolarHBondContact O-N 2.86Å; Q148-F150 HydrophobicContact CB-CE2 4.01Å; Q148-F150 HydrophobicContact CB-CZ 4.19Å; Q148-F150 HydrophobicContact CG-CE1 4.36Å; Q148-F150 HydrophobicContact CG-CE2 3.94Å; Q148-F150 HydrophobicContact CG-CZ 3.79Å; Q148-F150 WeakPolarHBondContact O-CE2 3.42Å
149Q88.1Confident69Low91 Ų9175.9 Ų75.943%0.42540%0.401SS..EExtended strand (participates in β ladder)trans-91.2139.4174.8-64.9-176.14.300110.5V61 I62 C63 V103 D147V61-Q149 HydrophobicContact CG1-CB 4.1Å; V61-Q149 HydrophobicContact CG1-CG 4.39Å; I62-Q149 WeakPolarHBondContact O-CA 3.5Å; C63-Q149 HydrophobicContact CB-CG 4.35Å; V103-Q149 HydrophobicContact CB-CB 4.1Å; V103-Q149 HydrophobicContact CG2-CB 4.04Å; V103-Q149 PolarHBondContact N-O 2.8Å; D147-Q149 PolarHBondContact O-N 3.1Å
150F90.6Very high71.9Confident21 Ų2168.2 Ų68.29%0.09236%0.36CS..EExtended strand (participates in β ladder)trans-122.8151175.4-58.4-91.6000109.1V61 I62 I91 V95 L100 E101 P102 Q148V61-F150 CarbonylContact C-O 3.55Å; V61-F150 WeakPolarHBondContact CA-O 2.95Å; I62-F150 HydrophobicContact CG1-CB 4.12Å; I62-F150 PolarHBondContact N-O 3.29Å; I62-F150 PolarHBondContact O-N 3.49Å; I91-F150 HydrophobicContact CG2-CD1 4.09Å; I91-F150 HydrophobicContact CG2-CD2 3.84Å; I91-F150 HydrophobicContact CG2-CE1 3.94Å; I91-F150 HydrophobicContact CG2-CE2 3.68Å; I91-F150 HydrophobicContact CG2-CG 4.04Å; I91-F150 HydrophobicContact CG2-CZ 3.73Å; V95-F150 HydrophobicContact CG2-CD1 3.75Å; V95-F150 HydrophobicContact CG2-CE1 3.82Å; L100-F150 HydrophobicContact CB-CB 4.45Å; L100-F150 HydrophobicContact CD1-CB 4.3Å; L100-F150 HydrophobicContact CD2-CB 4.17Å; E101-F150 CarbonylContact O-C 3.57Å; E101-F150 VanDerWaalsContact O-CA 3.28Å; E101-F150 WeakPolarHBondContact O-CA 3.42Å; P102-F150 HydrophobicContact CB-CD1 4.46Å; P102-F150 HydrophobicContact CB-CE1 4.45Å; Q148-F150 HydrophobicContact CB-CE2 4.01Å; Q148-F150 HydrophobicContact CB-CZ 4.19Å; Q148-F150 HydrophobicContact CG-CE1 4.36Å; Q148-F150 HydrophobicContact CG-CE2 3.94Å; Q148-F150 HydrophobicContact CG-CZ 3.79Å; Q148-F150 WeakPolarHBondContact O-CE2 3.42Å
151V92.4Very high74.7Confident2 Ų266.9 Ų66.91%0.01235%0.345CS..EExtended strand (participates in β ladder)trans-127.4139.3-179.164.20000111.9F60 V61 L100 E101 V103 S153 A156 Y204F60-V151 HydrophobicContact CB-CG2 4.44Å; F60-V151 VanDerWaalsContact O-CA 3.31Å; F60-V151 WeakPolarHBondContact O-CA 3.49Å; V61-V151 HydrophobicContact CG2-CB 4.46Å; V61-V151 HydrophobicContact CG2-CG2 4.15Å; L100-V151 WeakPolarHBondContact CA-O 3.2Å; E101-V151 HydrophobicContact CB-CG1 4.25Å; E101-V151 PolarHBondContact N-O 3.19Å; E101-V151 PolarHBondContact O-N 2.81Å; V103-V151 HydrophobicContact CG2-CB 3.79Å; V103-V151 HydrophobicContact CG2-CG1 3.96Å; V151-S153 VanDerWaalsContact C-N 3.34Å; V151-S153 PolarHBondContact O-N 3.38Å; V151-S153 VanDerWaalsContact O-N 3.16Å; V151-A156 HydrophobicContact CG2-CB 4.29Å; V151-Y204 HydrophobicContact CB-CD2 4.49Å; V151-Y204 HydrophobicContact CB-CE1 4.48Å; V151-Y204 HydrophobicContact CB-CE2 4.11Å; V151-Y204 HydrophobicContact CG1-CE1 4.5Å; V151-Y204 HydrophobicContact CG1-CE2 3.79Å; V151-Y204 HydrophobicContact CG2-CD1 3.8Å; V151-Y204 HydrophobicContact CG2-CD2 4.25Å; V151-Y204 HydrophobicContact CG2-CE1 3.51Å; V151-Y204 HydrophobicContact CG2-CE2 3.97Å; V151-Y204 HydrophobicContact CG2-CG 4.16Å
152F93Very high77.7Confident3 Ų365 Ų651%0.01333%0.332CS..  trans-79.382.5165.5-67.1-76.1000109.2L50 L51 A54 F60 I62 V99 L100 Q154 F155 A156L50-F152 HydrophobicContact CB-CZ 4.22Å; L51-F152 HydrophobicContact CD2-CD1 3.93Å; L51-F152 HydrophobicContact CD2-CE1 3.6Å; L51-F152 HydrophobicContact CD2-CZ 4.41Å; L51-F152 HydrophobicContact CG-CE1 4.49Å; A54-F152 HydrophobicContact CB-CD2 3.67Å; A54-F152 HydrophobicContact CB-CE2 3.75Å; A54-F152 HydrophobicContact CB-CG 4.41Å; F60-F152 WeakPolarHBondContact O-CD2 3.26Å; F60-F152 PolarHBondContact O-N 2.87Å; I62-F152 HydrophobicContact CD1-CE2 3.76Å; I62-F152 HydrophobicContact CD1-CZ 3.98Å; I62-F152 HydrophobicContact CG1-CE2 4.19Å; I62-F152 HydrophobicContact CG2-CE2 4.09Å; V99-F152 HydrophobicContact CG1-CD1 4Å; V99-F152 HydrophobicContact CG1-CE1 4.1Å; L100-F152 HydrophobicContact CD2-CD1 3.5Å; L100-F152 VanDerWaalsContact CD2-CD1 3.5Å; L100-F152 HydrophobicContact CD2-CD2 3.89Å; L100-F152 HydrophobicContact CD2-CE1 3.47Å; L100-F152 VanDerWaalsContact CD2-CE1 3.47Å; L100-F152 HydrophobicContact CD2-CE2 3.87Å; L100-F152 HydrophobicContact CD2-CG 3.72Å; L100-F152 HydrophobicContact CD2-CZ 3.66Å; L100-F152 HydrophobicContact CG-CD1 4.2Å; L100-F152 HydrophobicContact CG-CE1 3.87Å; L100-F152 HydrophobicContact CG-CZ 4.25Å; F152-Q154 PolarHBondContact O-N 3.41Å; F152-F155 HydrophobicContact CB-CB 4.09Å; F152-F155 HydrophobicContact CB-CD2 3.88Å; F152-F155 HydrophobicContact CB-CG 4.3Å; F152-F155 HydrophobicContact CD1-CD2 4.42Å; F152-F155 HydrophobicContact CG-CD2 4.16Å; F152-F155 PolarHBondContact O-N 2.87Å; F152-F155 VanDerWaalsContact O-N 3.15Å; F152-A156 PolarHBondContact O-N 3.2Å
153S88Confident80.8Confident14 Ų1455.7 Ų55.710%0.09829%0.289CS..Hα-helixtrans-53.7-49.7-171.953.80000112.5E101 V151 F155 A156 E157E101-S153 WeakPolarHBondContact OE1-CB 3.21Å; E101-S153 PolarHBondContact OE1-OG 3.07Å; V151-S153 VanDerWaalsContact C-N 3.34Å; V151-S153 PolarHBondContact O-N 3.38Å; V151-S153 VanDerWaalsContact O-N 3.16Å; S153-F155 VanDerWaalsContact C-N 3.35Å; S153-F155 PolarHBondContact O-N 3.01Å; S153-A156 PolarHBondContact O-N 2.95Å; S153-E157 WeakPolarHBondContact O-CG 3.45Å; S153-E157 PolarHBondContact O-N 3.05Å
154Q90Very high83.7Confident114 Ų11450.4 Ų50.453%0.53326%0.256SS..Hα-helixtrans-60.2-39.9179.5-171.963.551.100113.5F152 N158F152-Q154 PolarHBondContact O-N 3.41Å; Q154-N158 PolarHBondContact NE2-OD1 2.97Å; Q154-N158 VanDerWaalsContact NE2-OD1 3.16Å; Q154-N158 WeakPolarHBondContact O-CB 3.34Å; Q154-N158 PolarHBondContact O-N 3.38Å; Q154-N158 VanDerWaalsContact O-N 3.11Å; Q154-N158 PolarHBondContact O-ND2 3.45Å
155F92.3Very high86.5Confident63 Ų6346.6 Ų46.628%0.27624%0.241SC..Hα-helixtrans-72-39.1177.9-68.7-20.2000111.6L51 A54 F60 F152 S153 N158 S159L51-F155 HydrophobicContact CB-CE2 4.39Å; L51-F155 HydrophobicContact CD2-CE2 3.54Å; L51-F155 HydrophobicContact CD2-CZ 3.91Å; A54-F155 HydrophobicContact CB-CD2 4.31Å; F60-F155 HydrophobicContact CD1-CB 3.61Å; F60-F155 HydrophobicContact CE1-CB 3.75Å; F60-F155 HydrophobicContact CG-CB 4.38Å; F152-F155 HydrophobicContact CB-CB 4.09Å; F152-F155 HydrophobicContact CB-CD2 3.88Å; F152-F155 HydrophobicContact CB-CG 4.3Å; F152-F155 HydrophobicContact CD1-CD2 4.42Å; F152-F155 HydrophobicContact CG-CD2 4.16Å; F152-F155 PolarHBondContact O-N 2.87Å; F152-F155 VanDerWaalsContact O-N 3.15Å; S153-F155 VanDerWaalsContact C-N 3.35Å; S153-F155 PolarHBondContact O-N 3.01Å; F155-N158 PolarHBondContact O-N 3.26Å; F155-S159 VanDerWaalsContact O-CB 3.29Å; F155-S159 WeakPolarHBondContact O-CB 3.39Å; F155-S159 PolarHBondContact O-N 2.77Å
156A92.4Very high88.7Confident0 Ų046.3 Ų46.30%023%0.231CC..Hα-helixtrans-61.8-44.5175.200000111.5F60 V151 F152 S153 S159 A160 Y204 I205 L208F60-A156 HydrophobicContact CB-CB 4.09Å; F60-A156 HydrophobicContact CD2-CB 4.04Å; F60-A156 HydrophobicContact CG-CB 4.23Å; V151-A156 HydrophobicContact CG2-CB 4.29Å; F152-A156 PolarHBondContact O-N 3.2Å; S153-A156 PolarHBondContact O-N 2.95Å; A156-S159 PolarHBondContact O-N 3.38Å; A156-A160 WeakPolarHBondContact O-CB 3.29Å; A156-A160 PolarHBondContact O-N 3.18Å; A156-Y204 HydrophobicContact CB-CD1 4.1Å; A156-Y204 HydrophobicContact CB-CE1 3.72Å; A156-I205 HydrophobicContact CB-CD1 3.92Å; A156-I205 WeakPolarHBondContact O-CD1 3.38Å; A156-L208 HydrophobicContact CB-CD2 4.34Å
157E91.9Very high90.6Very high54 Ų5445 Ų4525%0.25222%0.222SC..Hα-helixtrans-63.8-47177.2-70.8-164.5177.200112.7S153 S159 A160 M161 L208 K213S153-E157 WeakPolarHBondContact O-CG 3.45Å; S153-E157 PolarHBondContact O-N 3.05Å; E157-S159 VanDerWaalsContact C-N 3.33Å; E157-S159 PolarHBondContact O-N 2.8Å; E157-A160 PolarHBondContact O-N 2.82Å; E157-M161 PolarHBondContact O-N 3.21Å; E157-L208 HydrophobicContact CG-CD1 4.26Å; E157-L208 HydrophobicContact CG-CD2 4.18Å; E157-K213 VanDerWaalsContact CD-CE 3.41Å; E157-K213 WeakPolarHBondContact OE1-CE 3.48Å; E157-K213 IonicContact OE1-NZ 3.77Å; E157-K213 PolarHBondContact OE1-NZ 2.98Å; E157-K213 IonicContact OE2-NZ 2.83Å; E157-K213 PolarHBondContact OE2-NZ 3.28Å
158N93Very high91.7Very high64 Ų6442 Ų4234%0.34221%0.205SC..Hα-helixtrans-61.1-44.6178-71.3-9000111.4Q154 F155 A160 M161 E162Q154-N158 PolarHBondContact NE2-OD1 2.97Å; Q154-N158 VanDerWaalsContact NE2-OD1 3.16Å; Q154-N158 WeakPolarHBondContact O-CB 3.34Å; Q154-N158 PolarHBondContact O-N 3.38Å; Q154-N158 VanDerWaalsContact O-N 3.11Å; Q154-N158 PolarHBondContact O-ND2 3.45Å; F155-N158 PolarHBondContact O-N 3.26Å; N158-A160 VanDerWaalsContact C-N 3.35Å; N158-M161 WeakPolarHBondContact O-CB 3.43Å; N158-M161 PolarHBondContact O-N 3.19Å; N158-M161 WeakPolarHBondContact OD1-CE 3.46Å; N158-E162 PolarHBondContact O-N 3.49Å; N158-E162 VanDerWaalsContact O-N 3.16Å
159S93.4Very high92.1Very high6 Ų644.2 Ų44.24%0.04222%0.219CC..Hα-helixtrans-69.4-33.6178.3-167.70000112.4F60 F155 A156 E157 M161 E162 F163 Y196F60-S159 VanDerWaalsContact CZ-CB 3.42Å; F155-S159 VanDerWaalsContact O-CB 3.29Å; F155-S159 WeakPolarHBondContact O-CB 3.39Å; F155-S159 PolarHBondContact O-N 2.77Å; A156-S159 PolarHBondContact O-N 3.38Å; E157-S159 VanDerWaalsContact C-N 3.33Å; E157-S159 PolarHBondContact O-N 2.8Å; S159-M161 VanDerWaalsContact C-N 3.31Å; S159-M161 PolarHBondContact O-N 3.5Å; S159-E162 WeakPolarHBondContact O-CB 3.47Å; S159-E162 PolarHBondContact O-N 3.13Å; S159-F163 WeakPolarHBondContact O-CB 3.46Å; S159-F163 PolarHBondContact O-N 2.8Å; S159-Y196 PolarHBondContact O-OH 3.21Å; S159-Y196 WeakPolarHBondContact OG-CE1 3.43Å; S159-Y196 PolarHBondContact OG-OH 3.41Å
160A93.5Very high92.4Very high0 Ų044.1 Ų44.10%022%0.222CC..Hα-helixtrans-63.4-37.4174.600000111.7A156 E157 N158 F163 L164 I205 L208 L209 I238A156-A160 WeakPolarHBondContact O-CB 3.29Å; A156-A160 PolarHBondContact O-N 3.18Å; E157-A160 PolarHBondContact O-N 2.82Å; N158-A160 VanDerWaalsContact C-N 3.35Å; A160-F163 PolarHBondContact O-N 3.24Å; A160-L164 WeakPolarHBondContact O-CG 3.37Å; A160-L164 PolarHBondContact O-N 3.04Å; A160-I205 HydrophobicContact CB-CD1 4.16Å; A160-I205 HydrophobicContact CB-CG2 4.36Å; A160-L208 HydrophobicContact CB-CD2 3.93Å; A160-L209 HydrophobicContact CB-CD2 4.1Å; A160-I238 HydrophobicContact CB-CD1 3.97Å
161M93.2Very high92.4Very high82 Ų8244.6 Ų44.640%0.40422%0.223SC..Hα-helixtrans-63.2-45.8171.9-71.4-174.5-76.400111.9E157 N158 S159 F163 L164 S165 I238E157-M161 PolarHBondContact O-N 3.21Å; N158-M161 WeakPolarHBondContact O-CB 3.43Å; N158-M161 PolarHBondContact O-N 3.19Å; N158-M161 WeakPolarHBondContact OD1-CE 3.46Å; S159-M161 VanDerWaalsContact C-N 3.31Å; S159-M161 PolarHBondContact O-N 3.5Å; M161-F163 VanDerWaalsContact C-N 3.3Å; M161-F163 PolarHBondContact O-N 2.95Å; M161-L164 PolarHBondContact O-N 3.06Å; M161-S165 PolarHBondContact O-N 3.28Å; M161-I238 HydrophobicContact CG-CB 3.86Å; M161-I238 HydrophobicContact CG-CD1 3.8Å; M161-I238 HydrophobicContact CG-CG1 4.45Å; M161-I238 HydrophobicContact CG-CG2 3.57Å; M161-I238 HydrophobicContact SD-CG2 3.79Å
162E93.3Very high92.1Very high113 Ų11352.3 Ų52.353%0.52825%0.252SS..Hα-helixtrans-59.2-42.6174.7-68.1172.8-176.700111.6N158 S159 S165 W166 F195N158-E162 PolarHBondContact O-N 3.49Å; N158-E162 VanDerWaalsContact O-N 3.16Å; S159-E162 WeakPolarHBondContact O-CB 3.47Å; S159-E162 PolarHBondContact O-N 3.13Å; E162-S165 PolarHBondContact O-N 3.29Å; E162-W166 VanDerWaalsContact O-CB 3.23Å; E162-W166 WeakPolarHBondContact O-CB 3.45Å; E162-W166 PolarHBondContact O-N 3.45Å; E162-F195 HydrophobicContact CB-CZ 4.36Å
163F94.5Very high91.7Very high0 Ų058.9 Ų58.90%029%0.287CS..Hα-helixtrans-62.3-46.2177.2170.8-101000111.9S159 A160 M161 W166 F167 F188 A191 L192 F195 Y196 L209S159-F163 WeakPolarHBondContact O-CB 3.46Å; S159-F163 PolarHBondContact O-N 2.8Å; A160-F163 PolarHBondContact O-N 3.24Å; M161-F163 VanDerWaalsContact C-N 3.3Å; M161-F163 PolarHBondContact O-N 2.95Å; F163-W166 HydrophobicContact CD2-CE3 4.03Å; F163-W166 HydrophobicContact CD2-CZ3 4.25Å; F163-W166 HydrophobicContact CE2-CE3 4.08Å; F163-W166 AromaticContact CE2-CZ3 3.9Å; F163-W166 HydrophobicContact CE2-CZ3 3.9Å; F163-W166 PolarHBondContact O-N 3.3Å; F163-F167 HydrophobicContact CE1-CB 4.45Å; F163-F167 HydrophobicContact CZ-CB 4.29Å; F163-F167 HydrophobicContact CZ-CD2 4.18Å; F163-F167 HydrophobicContact CZ-CG 4.42Å; F163-F167 WeakPolarHBondContact O-CB 3.15Å; F163-F167 PolarHBondContact O-N 2.89Å; F163-F188 AromaticContact CE1-CE2 3.82Å; F163-F188 HydrophobicContact CE1-CE2 3.82Å; F163-F188 AromaticContact CE1-CZ 3.71Å; F163-F188 HydrophobicContact CE1-CZ 3.71Å; F163-F188 HydrophobicContact CZ-CE2 4.17Å; F163-F188 HydrophobicContact CZ-CZ 4.25Å; F163-A191 HydrophobicContact CE2-CB 4.47Å; F163-L192 HydrophobicContact CD1-CD2 3.97Å; F163-L192 HydrophobicContact CD2-CD2 4.2Å; F163-L192 HydrophobicContact CE1-CD2 3.5Å; F163-L192 VanDerWaalsContact CE1-CD2 3.5Å; F163-L192 HydrophobicContact CE1-CG 3.96Å; F163-L192 HydrophobicContact CE2-CD2 3.75Å; F163-L192 HydrophobicContact CE2-CG 4.1Å; F163-L192 HydrophobicContact CG-CD2 4.31Å; F163-L192 HydrophobicContact CZ-CB 4.36Å; F163-L192 HydrophobicContact CZ-CD2 3.38Å; F163-L192 HydrophobicContact CZ-CG 3.52Å; F163-F195 HydrophobicContact CB-CD1 4.1Å; F163-F195 HydrophobicContact CB-CE1 3.85Å; F163-F195 HydrophobicContact CB-CZ 4.18Å; F163-F195 HydrophobicContact CD2-CB 3.75Å; F163-F195 AromaticContact CD2-CD1 3.86Å; F163-F195 HydrophobicContact CD2-CD1 3.86Å; F163-F195 HydrophobicContact CD2-CD2 4.09Å; F163-F195 HydrophobicContact CD2-CE1 4.4Å; F163-F195 AromaticContact CD2-CG 3.65Å; F163-F195 HydrophobicContact CD2-CG 3.65Å; F163-F195 HydrophobicContact CE2-CB 4.04Å; F163-F195 HydrophobicContact CE2-CG 4.42Å; F163-F195 HydrophobicContact CG-CD1 4.42Å; F163-Y196 HydrophobicContact CB-CE2 4.09Å; F163-Y196 HydrophobicContact CD2-CE2 4.11Å; F163-Y196 HydrophobicContact CG-CE2 4.05Å; F163-L209 HydrophobicContact CD1-CD1 4.11Å; F163-L209 HydrophobicContact CE1-CD1 4.21Å
164L93.2Very high91.6Very high4 Ų462.6 Ų62.62%0.02130%0.303CS..Hα-helixtrans-62.7-44.5178.8-74.8177.1000112A160 M161 F167 H168 L209 V234 I238A160-L164 WeakPolarHBondContact O-CG 3.37Å; A160-L164 PolarHBondContact O-N 3.04Å; M161-L164 PolarHBondContact O-N 3.06Å; L164-F167 PolarHBondContact O-N 2.92Å; L164-H168 PolarHBondContact O-CD2 3.11Å; L164-H168 PolarHBondContact O-N 2.96Å; L164-L209 HydrophobicContact CD1-CD2 3.78Å; L164-L209 HydrophobicContact CD2-CD1 4.47Å; L164-L209 HydrophobicContact CD2-CD2 4.18Å; L164-L209 HydrophobicContact CG-CD2 3.98Å; L164-V234 HydrophobicContact CD2-CG1 3.68Å; L164-I238 HydrophobicContact CD1-CB 4.06Å; L164-I238 HydrophobicContact CD1-CG1 4.44Å
165S92.4Very high91.5Very high69 Ų6960.3 Ų60.348%0.48329%0.29SS..Hα-helixtrans-58.6-51.7175.3-1740000110.9M161 E162 F167 H168 D169M161-S165 PolarHBondContact O-N 3.28Å; E162-S165 PolarHBondContact O-N 3.29Å; S165-F167 VanDerWaalsContact C-N 3.31Å; S165-F167 PolarHBondContact O-N 3.44Å; S165-H168 PolarHBondContact O-N 3.4Å; S165-D169 VanDerWaalsContact O-CG 3.32Å; S165-D169 PolarHBondContact O-N 3.37Å; S165-D169 VanDerWaalsContact O-N 3.11Å
166W94.3Very high91.1Very high78 Ų7857.7 Ų57.730%0.29528%0.278SS..Hα-helixtrans-60.8-38.8177.2173.487.8000112.5E162 F163 D169 N170 Y171 A191 F195E162-W166 VanDerWaalsContact O-CB 3.23Å; E162-W166 WeakPolarHBondContact O-CB 3.45Å; E162-W166 PolarHBondContact O-N 3.45Å; F163-W166 HydrophobicContact CD2-CE3 4.03Å; F163-W166 HydrophobicContact CD2-CZ3 4.25Å; F163-W166 HydrophobicContact CE2-CE3 4.08Å; F163-W166 AromaticContact CE2-CZ3 3.9Å; F163-W166 HydrophobicContact CE2-CZ3 3.9Å; F163-W166 PolarHBondContact O-N 3.3Å; W166-D169 PolarHBondContact O-N 3.49Å; W166-N170 VanDerWaalsContact CE2-ND2 3.34Å; W166-N170 PolarHBondContact NE1-ND2 3.09Å; W166-N170 WeakPolarHBondContact O-CB 3.45Å; W166-N170 PolarHBondContact O-N 3.3Å; W166-N170 PolarHBondContact O-ND2 3.34Å; W166-Y171 AromaticContact CH2-CE2 3.65Å; W166-Y171 HydrophobicContact CH2-CE2 3.65Å; W166-Y171 HydrophobicContact CZ2-CE2 4.37Å; W166-Y171 AromaticContact CZ3-CE2 3.79Å; W166-Y171 HydrophobicContact CZ3-CE2 3.79Å; W166-A191 HydrophobicContact CH2-CB 4.45Å; W166-A191 HydrophobicContact CZ3-CB 4.1Å; W166-F195 HydrophobicContact CB-CE2 4.06Å; W166-F195 AromaticContact CD2-CD2 3.69Å; W166-F195 HydrophobicContact CD2-CD2 3.69Å; W166-F195 AromaticContact CD2-CE2 3.91Å; W166-F195 HydrophobicContact CD2-CE2 3.91Å; W166-F195 AromaticContact CE3-CD2 3.65Å; W166-F195 HydrophobicContact CE3-CD2 3.65Å; W166-F195 HydrophobicContact CE3-CE2 4.17Å; W166-F195 HydrophobicContact CE3-CG 4.45Å; W166-F195 HydrophobicContact CG-CD2 4.14Å; W166-F195 AromaticContact CG-CE2 3.84Å; W166-F195 HydrophobicContact CG-CE2 3.84Å; W166-F195 HydrophobicContact CH2-CD2 4.49Å; W166-F195 HydrophobicContact CZ3-CB 4.28Å; W166-F195 HydrophobicContact CZ3-CD2 4.05Å
167F94.1Very high90.7Very high0 Ų057.8 Ų57.80%028%0.279CS..Hα-helixtrans-67-45.3-179.6179.4-97.1000111.2F163 L164 S165 D169 N170 Y171 Y183 F188 A191 V234F163-F167 HydrophobicContact CE1-CB 4.45Å; F163-F167 HydrophobicContact CZ-CB 4.29Å; F163-F167 HydrophobicContact CZ-CD2 4.18Å; F163-F167 HydrophobicContact CZ-CG 4.42Å; F163-F167 WeakPolarHBondContact O-CB 3.15Å; F163-F167 PolarHBondContact O-N 2.89Å; L164-F167 PolarHBondContact O-N 2.92Å; S165-F167 VanDerWaalsContact C-N 3.31Å; S165-F167 PolarHBondContact O-N 3.44Å; F167-D169 VanDerWaalsContact C-N 3.31Å; F167-D169 PolarHBondContact O-N 3.22Å; F167-N170 PolarHBondContact O-N 3.46Å; F167-Y171 AromaticContact CD2-CD2 3.47Å; F167-Y171 HydrophobicContact CD2-CD2 3.47Å; F167-Y171 VanDerWaalsContact CD2-CD2 3.47Å; F167-Y171 AromaticContact CD2-CE2 3.98Å; F167-Y171 HydrophobicContact CD2-CE2 3.98Å; F167-Y171 HydrophobicContact CD2-CG 4.1Å; F167-Y171 AromaticContact CE2-CD2 3.7Å; F167-Y171 HydrophobicContact CE2-CD2 3.7Å; F167-Y171 HydrophobicContact CE2-CE2 4.28Å; F167-Y171 AromaticContact CE2-CG 3.86Å; F167-Y171 HydrophobicContact CE2-CG 3.86Å; F167-Y171 HydrophobicContact CG-CD2 4.22Å; F167-Y171 HydrophobicContact CZ-CG 4.45Å; F167-Y171 WeakPolarHBondContact O-CB 3.42Å; F167-Y171 WeakPolarHBondContact O-CD2 3.4Å; F167-Y171 PolarHBondContact O-N 3.32Å; F167-Y183 HydrophobicContact CE1-CD1 4.27Å; F167-Y183 AromaticContact CE1-CD2 3.72Å; F167-Y183 HydrophobicContact CE1-CD2 3.72Å; F167-Y183 HydrophobicContact CE1-CE1 4.1Å; F167-Y183 AromaticContact CE1-CE2 3.55Å; F167-Y183 HydrophobicContact CE1-CE2 3.55Å; F167-Y183 HydrophobicContact CE1-CG 4.06Å; F167-Y183 AromaticContact CE1-CZ 3.73Å; F167-Y183 AromaticContact CZ-CD1 4Å; F167-Y183 HydrophobicContact CZ-CD1 4Å; F167-Y183 HydrophobicContact CZ-CD2 4.02Å; F167-Y183 HydrophobicContact CZ-CE1 4.17Å; F167-Y183 HydrophobicContact CZ-CE2 4.22Å; F167-Y183 AromaticContact CZ-CG 3.89Å; F167-Y183 HydrophobicContact CZ-CG 3.89Å; F167-F188 HydrophobicContact CD1-CD2 4.36Å; F167-F188 HydrophobicContact CD1-CE2 4.37Å; F167-F188 HydrophobicContact CD2-CD2 4.25Å; F167-F188 AromaticContact CE1-CD2 3.88Å; F167-F188 HydrophobicContact CE1-CD2 3.88Å; F167-F188 HydrophobicContact CE1-CE2 4.28Å; F167-F188 HydrophobicContact CE2-CB 4.5Å; F167-F188 AromaticContact CE2-CD2 3.77Å; F167-F188 HydrophobicContact CE2-CD2 3.77Å; F167-F188 HydrophobicContact CZ-CB 4.44Å; F167-F188 AromaticContact CZ-CD2 3.58Å; F167-F188 HydrophobicContact CZ-CD2 3.58Å; F167-F188 HydrophobicContact CZ-CE2 4.38Å; F167-F188 HydrophobicContact CZ-CG 4.49Å; F167-A191 HydrophobicContact CD2-CB 3.71Å; F167-A191 HydrophobicContact CE2-CB 3.77Å; F167-V234 HydrophobicContact CE1-CG2 4.06Å
168H90.4Very high90Very high27 Ų2757.1 Ų57.113%0.12528%0.279CS..Hα-helixtrans-61.9-39.7176.2-79.3-57.4000112.3L164 S165 R172 G235L164-H168 PolarHBondContact O-CD2 3.11Å; L164-H168 PolarHBondContact O-N 2.96Å; S165-H168 PolarHBondContact O-N 3.4Å; H168-R172 WeakPolarHBondContact O-CB 3.14Å; H168-R172 PolarHBondContact O-N 2.74Å; H168-G235 PolarHBondContact CE1-O 3.36Å; H168-G235 PolarHBondContact NE2-O 3.22Å
169D90.8Very high89.1Confident123 Ų12360.3 Ų60.366%0.65829%0.292SS*.Hα-helixtrans-69.3-43.6-179.9-69.8-20.9000112.6S165 W166 F167S165-D169 VanDerWaalsContact O-CG 3.32Å; S165-D169 PolarHBondContact O-N 3.37Å; S165-D169 VanDerWaalsContact O-N 3.11Å; W166-D169 PolarHBondContact O-N 3.49Å; F167-D169 VanDerWaalsContact C-N 3.31Å; F167-D169 PolarHBondContact O-N 3.22Å
170N92.7Very high88.6Confident90 Ų9061.2 Ų61.248%0.48130%0.298SS..Hα-helixtrans-87.6-23.5-173.5-68.9-72.8000114.6W166 F167W166-N170 VanDerWaalsContact CE2-ND2 3.34Å; W166-N170 PolarHBondContact NE1-ND2 3.09Å; W166-N170 WeakPolarHBondContact O-CB 3.45Å; W166-N170 PolarHBondContact O-N 3.3Å; W166-N170 PolarHBondContact O-ND2 3.34Å; F167-N170 PolarHBondContact O-N 3.46Å
171Y91.5Very high88.4Confident31 Ų3162.3 Ų62.312%0.12231%0.307CS..Hα-helixtrans-113.89.5-175.6-63.6-86.2000113W166 F167 D173 Q174 Y183 L187 A191W166-Y171 AromaticContact CH2-CE2 3.65Å; W166-Y171 HydrophobicContact CH2-CE2 3.65Å; W166-Y171 HydrophobicContact CZ2-CE2 4.37Å; W166-Y171 AromaticContact CZ3-CE2 3.79Å; W166-Y171 HydrophobicContact CZ3-CE2 3.79Å; F167-Y171 AromaticContact CD2-CD2 3.47Å; F167-Y171 HydrophobicContact CD2-CD2 3.47Å; F167-Y171 VanDerWaalsContact CD2-CD2 3.47Å; F167-Y171 AromaticContact CD2-CE2 3.98Å; F167-Y171 HydrophobicContact CD2-CE2 3.98Å; F167-Y171 HydrophobicContact CD2-CG 4.1Å; F167-Y171 AromaticContact CE2-CD2 3.7Å; F167-Y171 HydrophobicContact CE2-CD2 3.7Å; F167-Y171 HydrophobicContact CE2-CE2 4.28Å; F167-Y171 AromaticContact CE2-CG 3.86Å; F167-Y171 HydrophobicContact CE2-CG 3.86Å; F167-Y171 HydrophobicContact CG-CD2 4.22Å; F167-Y171 HydrophobicContact CZ-CG 4.45Å; F167-Y171 WeakPolarHBondContact O-CB 3.42Å; F167-Y171 WeakPolarHBondContact O-CD2 3.4Å; F167-Y171 PolarHBondContact O-N 3.32Å; Y171-D173 PolarHBondContact O-N 2.85Å; Y171-D173 VanDerWaalsContact O-N 3.13Å; Y171-Q174 PolarHBondContact O-N 3.34Å; Y171-Y183 VanDerWaalsContact O-CE1 3.3Å; Y171-Y183 WeakPolarHBondContact O-CE1 3.28Å; Y171-L187 HydrophobicContact CD1-CD1 3.74Å; Y171-L187 HydrophobicContact CD1-CD2 3.98Å; Y171-L187 HydrophobicContact CD1-CG 3.95Å; Y171-L187 HydrophobicContact CE1-CD1 3.62Å; Y171-L187 HydrophobicContact CE1-CG 4.21Å; Y171-A191 HydrophobicContact CD2-CB 4.35Å; Y171-A191 HydrophobicContact CE1-CB 4.48Å; Y171-A191 HydrophobicContact CE2-CB 3.61Å
172R86.3Confident88.2Confident163 Ų16358.4 Ų58.462%0.61529%0.288SS*.G310 helixtrans-48.5-43.1179.8-169.4178.9176.4-165.8-2.3113.3H168 Q174 R175H168-R172 WeakPolarHBondContact O-CB 3.14Å; H168-R172 PolarHBondContact O-N 2.74Å; R172-Q174 VanDerWaalsContact C-N 3.25Å; R172-Q174 PolarHBondContact O-N 3.46Å; R172-R175 WeakPolarHBondContact O-CD 3.36Å; R172-R175 VanDerWaalsContact O-CG 3.24Å; R172-R175 WeakPolarHBondContact O-CG 3.34Å
173D83.9Confident88.1Confident141 Ų14153 Ų5375%0.75426%0.263SS*.G310 helixtrans-78.4-11.3-174.6-54.2-29.7000112.6Y171Y171-D173 PolarHBondContact O-N 2.85Å; Y171-D173 VanDerWaalsContact O-N 3.13Å
174Q86Confident87.7Confident92 Ų9255.4 Ų55.443%0.4328%0.275SS..G310 helixtrans-98.313.6179.5-60.7-173.341.900113Y171 R172 L187Y171-Q174 PolarHBondContact O-N 3.34Å; R172-Q174 VanDerWaalsContact C-N 3.25Å; R172-Q174 PolarHBondContact O-N 3.46Å; Q174-L187 HydrophobicContact CB-CD2 3.68Å
175R87.6Confident87.6Confident67 Ų6756 Ų5625%0.25328%0.278SS..  trans-61.2142.9173.7-74.2172.9-178.7-179.23.5110.3R172 L177 Y183R172-R175 WeakPolarHBondContact O-CD 3.36Å; R172-R175 VanDerWaalsContact O-CG 3.24Å; R172-R175 WeakPolarHBondContact O-CG 3.34Å; R175-L177 VanDerWaalsContact C-N 3.33Å; R175-Y183 HydrophobicContact CB-CE1 4.32Å; R175-Y183 HydrophobicContact CG-CD1 4.28Å; R175-Y183 HydrophobicContact CG-CE1 3.44Å; R175-Y183 VanDerWaalsContact CG-CE1 3.44Å; R175-Y183 HydrophobicContact CG-CE2 4.28Å; R175-Y183 VanDerWaalsContact CG-CZ 3.45Å; R175-Y183 WeakPolarHBondContact CG-OH 3.47Å; R175-Y183 PolarHBondContact NE-OH 3.05Å
176L84.9Confident87.3Confident8 Ų859.4 Ų59.44%0.04229%0.287CS..SBendtrans-76.6-23.9171.7-63.3177.6000111.6V182 I231 L258 I261 V262L176-V182 HydrophobicContact CD1-CG1 4.36Å; L176-V182 PolarHBondContact N-O 3.49Å; L176-I231 HydrophobicContact CD1-CG2 3.89Å; L176-L258 HydrophobicContact CB-CD2 3.63Å; L176-L258 HydrophobicContact CD1-CD2 4.04Å; L176-I261 HydrophobicContact CD2-CG2 4.07Å; L176-I261 WeakPolarHBondContact O-CD1 3.33Å; L176-V262 HydrophobicContact CD1-CG2 4.09Å; L176-V262 HydrophobicContact CD2-CG2 4.14Å
177L84.1Confident87.1Confident1 Ų157.2 Ų57.21%0.00528%0.281CS..BIsolated β-bridgetrans-132.7139.7178.1-66.9172.6000110.9R175 H179 S180 V182 E254 A257 L258 I261 I341R175-L177 VanDerWaalsContact C-N 3.33Å; L177-H179 VanDerWaalsContact C-N 3.33Å; L177-H179 PolarHBondContact O-N 2.91Å; L177-S180 PolarHBondContact O-N 3.42Å; L177-V182 HydrophobicContact CD1-CG2 4.34Å; L177-E254 HydrophobicContact CD1-CG 3.45Å; L177-E254 VanDerWaalsContact CD1-CG 3.45Å; L177-A257 HydrophobicContact CD2-CB 4.05Å; L177-L258 HydrophobicContact CD1-CD1 4.19Å; L177-L258 HydrophobicContact CD1-CD2 3.71Å; L177-L258 HydrophobicContact CD1-CG 3.86Å; L177-L258 HydrophobicContact CD2-CD2 4.32Å; L177-L258 HydrophobicContact CD2-CG 4.5Å; L177-L258 HydrophobicContact CG-CD2 3.67Å; L177-L258 HydrophobicContact CG-CG 4.19Å; L177-I261 HydrophobicContact CD2-CD1 4.05Å; L177-I341 HydrophobicContact CD2-CD1 3.89Å
178P76.2Confident87Confident40 Ų4057.2 Ų57.226%0.2628%0.281SS..THydrogen-bonded Turntrans-62.7-33.4-175.9-28.638.4000114.8A335 I341P178-A335 WeakPolarHBondContact CG-O 3.18Å; P178-I341 HydrophobicContact CG-CD1 4.34Å
179H75.9Confident87.1Confident131 Ų13159.2 Ų59.261%0.60629%0.292SS*.THydrogen-bonded Turntrans-113.111.6-174.1-59.8-30.4000113.7L177 T336L177-H179 VanDerWaalsContact C-N 3.33Å; L177-H179 PolarHBondContact O-N 2.91Å; H179-T336 PolarHBondContact CD2-O 3.05Å; H179-T336 PolarHBondContact NE2-O 3.45Å; H179-T336 VanDerWaalsContact NE2-O 3.08Å
180S82.2Confident87.2Confident26 Ų2656.1 Ų56.118%0.18228%0.28CS..BIsolated β-bridgetrans-138.8131.6177-64.20000109.4L177 V182L177-S180 PolarHBondContact O-N 3.42Å; S180-V182 PolarHBondContact O-N 2.87Å
181A88.1Confident87.3Confident22 Ų2251.9 Ų51.918%0.18226%0.258CS..  trans-74.865.6177.800000110.4Y183 R233 V234A181-Y183 HydrophobicContact CB-CE2 3.96Å; A181-R233 WeakPolarHBondContact O-CA 3.23Å; A181-V234 WeakPolarHBondContact CB-O 3.39Å; A181-V234 PolarHBondContact O-N 2.92Å
182V90.2Very high87.4Confident1 Ų150.4 Ų50.41%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-109.2129.6178.4-169.80000108.6L176 L177 S180 I231 I232 R233 L258L176-V182 HydrophobicContact CD1-CG1 4.36Å; L176-V182 PolarHBondContact N-O 3.49Å; L177-V182 HydrophobicContact CD1-CG2 4.34Å; S180-V182 PolarHBondContact O-N 2.87Å; V182-I231 HydrophobicContact CG1-CB 3.99Å; V182-I231 HydrophobicContact CG1-CD1 3.91Å; V182-I231 HydrophobicContact CG1-CG1 4.36Å; V182-I232 WeakPolarHBondContact CA-O 3.32Å; V182-R233 HydrophobicContact CG2-CG 4.15Å; V182-L258 HydrophobicContact CB-CD2 4.25Å; V182-L258 HydrophobicContact CG1-CD1 4.4Å; V182-L258 HydrophobicContact CG1-CD2 3.75Å
183Y90.8Very high87.7Confident0 Ų044.9 Ų44.90%024%0.238CC..EExtended strand (participates in β ladder)trans-131.6163.4-175.1-59.2-88000110.6F167 Y171 R175 A181 L187 I231 I232 V234F167-Y183 HydrophobicContact CE1-CD1 4.27Å; F167-Y183 AromaticContact CE1-CD2 3.72Å; F167-Y183 HydrophobicContact CE1-CD2 3.72Å; F167-Y183 HydrophobicContact CE1-CE1 4.1Å; F167-Y183 AromaticContact CE1-CE2 3.55Å; F167-Y183 HydrophobicContact CE1-CE2 3.55Å; F167-Y183 HydrophobicContact CE1-CG 4.06Å; F167-Y183 AromaticContact CE1-CZ 3.73Å; F167-Y183 AromaticContact CZ-CD1 4Å; F167-Y183 HydrophobicContact CZ-CD1 4Å; F167-Y183 HydrophobicContact CZ-CD2 4.02Å; F167-Y183 HydrophobicContact CZ-CE1 4.17Å; F167-Y183 HydrophobicContact CZ-CE2 4.22Å; F167-Y183 AromaticContact CZ-CG 3.89Å; F167-Y183 HydrophobicContact CZ-CG 3.89Å; Y171-Y183 VanDerWaalsContact O-CE1 3.3Å; Y171-Y183 WeakPolarHBondContact O-CE1 3.28Å; R175-Y183 HydrophobicContact CB-CE1 4.32Å; R175-Y183 HydrophobicContact CG-CD1 4.28Å; R175-Y183 HydrophobicContact CG-CE1 3.44Å; R175-Y183 VanDerWaalsContact CG-CE1 3.44Å; R175-Y183 HydrophobicContact CG-CE2 4.28Å; R175-Y183 VanDerWaalsContact CG-CZ 3.45Å; R175-Y183 WeakPolarHBondContact CG-OH 3.47Å; R175-Y183 PolarHBondContact NE-OH 3.05Å; A181-Y183 HydrophobicContact CB-CE2 3.96Å; Y183-L187 HydrophobicContact CD1-CD2 4.18Å; Y183-I231 WeakPolarHBondContact O-CA 3.41Å; Y183-I232 PolarHBondContact N-O 3.48Å; Y183-I232 PolarHBondContact O-N 3.32Å; Y183-V234 HydrophobicContact CD2-CB 4.47Å; Y183-V234 HydrophobicContact CD2-CG2 3.9Å; Y183-V234 HydrophobicContact CE2-CB 4.32Å; Y183-V234 HydrophobicContact CE2-CG2 4.19Å
184D87Confident88.1Confident49 Ų4943.9 Ų43.926%0.26223%0.233SC..EExtended strand (participates in β ladder)trans-66.6136.3163.9-165.6-57.5000109.6E186 L187 F188D184-E186 VanDerWaalsContact C-N 3.25Å; D184-E186 PolarHBondContact O-N 2.93Å; D184-E186 WeakPolarHBondContact OD1-CB 3.45Å; D184-E186 PolarHBondContact OD1-N 3.36Å; D184-L187 HydrophobicContact CB-CB 4.19Å; D184-L187 WeakPolarHBondContact O-CB 3.28Å; D184-L187 PolarHBondContact O-N 3.36Å; D184-F188 PolarHBondContact O-N 3.05Å
185I89.5Confident88.4Confident17 Ų1741 Ų419%0.08722%0.219CC..Hα-helixtrans-62-34.7178.5-162.6175.7000112.1L187 F188 N189 V218 Q230I185-L187 VanDerWaalsContact C-N 3.31Å; I185-L187 PolarHBondContact O-N 3.44Å; I185-F188 PolarHBondContact O-N 2.91Å; I185-N189 WeakPolarHBondContact O-CB 3.4Å; I185-N189 VanDerWaalsContact O-CG 3.31Å; I185-N189 PolarHBondContact O-N 2.9Å; I185-N189 PolarHBondContact O-ND2 3.5Å; I185-V218 HydrophobicContact CD1-CG1 3.79Å; I185-V218 HydrophobicContact CD1-CG2 4.2Å; I185-Q230 HydrophobicContact CB-CB 4.09Å; I185-Q230 WeakPolarHBondContact CB-O 3.33Å; I185-Q230 HydrophobicContact CD1-CB 4.17Å; I185-Q230 HydrophobicContact CG2-CB 3.54Å; I185-Q230 WeakPolarHBondContact CG2-O 3.36Å; I185-Q230 PolarHBondContact N-O 2.91Å
186E87Confident88.7Confident140 Ų14037.9 Ų37.965%0.65421%0.207SC*.Hα-helixtrans-66.6-37.2-179.9-64.6-169.516900110.8D184 N189 S190D184-E186 VanDerWaalsContact C-N 3.25Å; D184-E186 PolarHBondContact O-N 2.93Å; D184-E186 WeakPolarHBondContact OD1-CB 3.45Å; D184-E186 PolarHBondContact OD1-N 3.36Å; E186-N189 PolarHBondContact O-N 3.03Å; E186-S190 VanDerWaalsContact O-CB 3.28Å; E186-S190 WeakPolarHBondContact O-CB 3.42Å; E186-S190 PolarHBondContact O-N 2.88Å; E186-S190 PolarHBondContact O-OG 2.99Å
187L90.3Very high88.9Confident32 Ų3242.4 Ų42.417%0.16824%0.24CC..Hα-helixtrans-62.9-47.6174.9-178.265.9000110.9Y171 Q174 Y183 D184 I185 S190 A191Y171-L187 HydrophobicContact CD1-CD1 3.74Å; Y171-L187 HydrophobicContact CD1-CD2 3.98Å; Y171-L187 HydrophobicContact CD1-CG 3.95Å; Y171-L187 HydrophobicContact CE1-CD1 3.62Å; Y171-L187 HydrophobicContact CE1-CG 4.21Å; Q174-L187 HydrophobicContact CB-CD2 3.68Å; Y183-L187 HydrophobicContact CD1-CD2 4.18Å; D184-L187 HydrophobicContact CB-CB 4.19Å; D184-L187 WeakPolarHBondContact O-CB 3.28Å; D184-L187 PolarHBondContact O-N 3.36Å; I185-L187 VanDerWaalsContact C-N 3.31Å; I185-L187 PolarHBondContact O-N 3.44Å; L187-S190 PolarHBondContact O-N 3.23Å; L187-A191 WeakPolarHBondContact O-CB 3.43Å; L187-A191 PolarHBondContact O-N 3.39Å
188F92.6Very high89.2Confident0 Ų045.5 Ų45.50%025%0.254CS..Hα-helixtrans-64.3-42.3179.2-173.7-93000112.3F163 F167 D184 I185 S190 A191 L192 F206 L209 V216 I232 V234F163-F188 AromaticContact CE1-CE2 3.82Å; F163-F188 HydrophobicContact CE1-CE2 3.82Å; F163-F188 AromaticContact CE1-CZ 3.71Å; F163-F188 HydrophobicContact CE1-CZ 3.71Å; F163-F188 HydrophobicContact CZ-CE2 4.17Å; F163-F188 HydrophobicContact CZ-CZ 4.25Å; F167-F188 HydrophobicContact CD1-CD2 4.36Å; F167-F188 HydrophobicContact CD1-CE2 4.37Å; F167-F188 HydrophobicContact CD2-CD2 4.25Å; F167-F188 AromaticContact CE1-CD2 3.88Å; F167-F188 HydrophobicContact CE1-CD2 3.88Å; F167-F188 HydrophobicContact CE1-CE2 4.28Å; F167-F188 HydrophobicContact CE2-CB 4.5Å; F167-F188 AromaticContact CE2-CD2 3.77Å; F167-F188 HydrophobicContact CE2-CD2 3.77Å; F167-F188 HydrophobicContact CZ-CB 4.44Å; F167-F188 AromaticContact CZ-CD2 3.58Å; F167-F188 HydrophobicContact CZ-CD2 3.58Å; F167-F188 HydrophobicContact CZ-CE2 4.38Å; F167-F188 HydrophobicContact CZ-CG 4.49Å; D184-F188 PolarHBondContact O-N 3.05Å; I185-F188 PolarHBondContact O-N 2.91Å; F188-S190 VanDerWaalsContact C-N 3.33Å; F188-S190 PolarHBondContact O-N 2.76Å; F188-A191 PolarHBondContact O-N 3.5Å; F188-L192 HydrophobicContact CD1-CD1 3.75Å; F188-L192 HydrophobicContact CD1-CG 4.22Å; F188-L192 HydrophobicContact CE1-CD1 3.41Å; F188-L192 VanDerWaalsContact CE1-CD1 3.41Å; F188-L192 HydrophobicContact CE1-CG 3.95Å; F188-L192 HydrophobicContact CZ-CD1 4.3Å; F188-L192 HydrophobicContact CZ-CG 4.47Å; F188-L192 WeakPolarHBondContact O-CB 3.38Å; F188-L192 PolarHBondContact O-N 3.18Å; F188-F206 HydrophobicContact CD1-CD2 4.32Å; F188-F206 HydrophobicContact CD1-CE2 4.17Å; F188-F206 AromaticContact CE1-CD2 3.88Å; F188-F206 HydrophobicContact CE1-CD2 3.88Å; F188-F206 HydrophobicContact CE1-CE2 4.01Å; F188-L209 HydrophobicContact CZ-CD1 4.11Å; F188-V216 HydrophobicContact CZ-CG1 4.47Å; F188-V216 HydrophobicContact CZ-CG2 4.18Å; F188-I232 HydrophobicContact CB-CD1 4.13Å; F188-I232 HydrophobicContact CB-CG2 3.7Å; F188-I232 HydrophobicContact CD1-CD1 3.34Å; F188-I232 HydrophobicContact CD2-CD1 4.1Å; F188-I232 HydrophobicContact CD2-CG2 4.35Å; F188-I232 HydrophobicContact CE1-CD1 3.6Å; F188-I232 HydrophobicContact CE2-CD1 4.36Å; F188-I232 HydrophobicContact CG-CD1 3.6Å; F188-I232 HydrophobicContact CG-CG2 4.07Å; F188-I232 HydrophobicContact CZ-CD1 4.12Å; F188-V234 HydrophobicContact CD2-CG2 4.06Å; F188-V234 HydrophobicContact CE2-CG2 3.89Å
189N92.3Very high89.8Confident69 Ų6945.8 Ų45.837%0.36926%0.259SS..Hα-helixtrans-63.7-39.7175.4-75.1-27.4000112I185 E186 L192 S193I185-N189 WeakPolarHBondContact O-CB 3.4Å; I185-N189 VanDerWaalsContact O-CG 3.31Å; I185-N189 PolarHBondContact O-N 2.9Å; I185-N189 PolarHBondContact O-ND2 3.5Å; E186-N189 PolarHBondContact O-N 3.03Å; N189-L192 PolarHBondContact O-N 2.99Å; N189-S193 WeakPolarHBondContact O-CB 3.42Å; N189-S193 PolarHBondContact O-N 3.03Å
190S93.1Very high90.4Very high59 Ų5940.6 Ų40.641%0.41324%0.24SC..Hα-helixtrans-64-45.3175.1-60.70000111E186 L187 F188 L192 S193 N194E186-S190 VanDerWaalsContact O-CB 3.28Å; E186-S190 WeakPolarHBondContact O-CB 3.42Å; E186-S190 PolarHBondContact O-N 2.88Å; E186-S190 PolarHBondContact O-OG 2.99Å; L187-S190 PolarHBondContact O-N 3.23Å; F188-S190 VanDerWaalsContact C-N 3.33Å; F188-S190 PolarHBondContact O-N 2.76Å; S190-L192 PolarHBondContact O-N 3.22Å; S190-S193 WeakPolarHBondContact CA-OG 3.48Å; S190-S193 PolarHBondContact O-N 3.02Å; S190-S193 VanDerWaalsContact O-N 3.15Å; S190-S193 PolarHBondContact O-OG 3.11Å; S190-N194 VanDerWaalsContact O-CG 3.29Å; S190-N194 PolarHBondContact O-N 3.47Å; S190-N194 PolarHBondContact O-ND2 2.98Å
191A94.1Very high90.9Very high0 Ų039.4 Ų39.40%023%0.231CC..Hα-helixtrans-60.3-44.2175.800000112F163 W166 F167 Y171 L187 F188 S193 N194 F195F163-A191 HydrophobicContact CE2-CB 4.47Å; W166-A191 HydrophobicContact CH2-CB 4.45Å; W166-A191 HydrophobicContact CZ3-CB 4.1Å; F167-A191 HydrophobicContact CD2-CB 3.71Å; F167-A191 HydrophobicContact CE2-CB 3.77Å; Y171-A191 HydrophobicContact CD2-CB 4.35Å; Y171-A191 HydrophobicContact CE1-CB 4.48Å; Y171-A191 HydrophobicContact CE2-CB 3.61Å; L187-A191 WeakPolarHBondContact O-CB 3.43Å; L187-A191 PolarHBondContact O-N 3.39Å; F188-A191 PolarHBondContact O-N 3.5Å; A191-S193 VanDerWaalsContact C-N 3.35Å; A191-S193 PolarHBondContact O-N 2.79Å; A191-N194 PolarHBondContact O-N 2.74Å; A191-F195 WeakPolarHBondContact O-CB 3.45Å; A191-F195 PolarHBondContact O-N 2.9Å
192L93.7Very high91.1Very high1 Ų141.4 Ų41.41%0.00523%0.234CC..Hα-helixtrans-60-42.6172.8-87177.6000112.3F163 F188 N189 S190 N194 F195 Y196 R202 I205 F206F163-L192 HydrophobicContact CD1-CD2 3.97Å; F163-L192 HydrophobicContact CD2-CD2 4.2Å; F163-L192 HydrophobicContact CE1-CD2 3.5Å; F163-L192 VanDerWaalsContact CE1-CD2 3.5Å; F163-L192 HydrophobicContact CE1-CG 3.96Å; F163-L192 HydrophobicContact CE2-CD2 3.75Å; F163-L192 HydrophobicContact CE2-CG 4.1Å; F163-L192 HydrophobicContact CG-CD2 4.31Å; F163-L192 HydrophobicContact CZ-CB 4.36Å; F163-L192 HydrophobicContact CZ-CD2 3.38Å; F163-L192 HydrophobicContact CZ-CG 3.52Å; F188-L192 HydrophobicContact CD1-CD1 3.75Å; F188-L192 HydrophobicContact CD1-CG 4.22Å; F188-L192 HydrophobicContact CE1-CD1 3.41Å; F188-L192 VanDerWaalsContact CE1-CD1 3.41Å; F188-L192 HydrophobicContact CE1-CG 3.95Å; F188-L192 HydrophobicContact CZ-CD1 4.3Å; F188-L192 HydrophobicContact CZ-CG 4.47Å; F188-L192 WeakPolarHBondContact O-CB 3.38Å; F188-L192 PolarHBondContact O-N 3.18Å; N189-L192 PolarHBondContact O-N 2.99Å; S190-L192 PolarHBondContact O-N 3.22Å; L192-N194 VanDerWaalsContact C-N 3.32Å; L192-N194 PolarHBondContact O-N 3.23Å; L192-F195 PolarHBondContact O-N 3.03Å; L192-Y196 HydrophobicContact CD2-CD2 3.9Å; L192-Y196 HydrophobicContact CD2-CE2 3.97Å; L192-Y196 PolarHBondContact O-N 3.05Å; L192-R202 HydrophobicContact CB-CG 4.06Å; L192-I205 HydrophobicContact CD2-CG2 4.11Å; L192-F206 HydrophobicContact CD1-CB 4.23Å; L192-F206 HydrophobicContact CD1-CD2 3.76Å; L192-F206 HydrophobicContact CD1-CG 4.49Å
193S92.6Very high91Very high47 Ų4745.9 Ų45.933%0.32926%0.255SS..Hα-helixtrans-67.4-33.1179.676.50000113.1N189 S190 A191 Y196N189-S193 WeakPolarHBondContact O-CB 3.42Å; N189-S193 PolarHBondContact O-N 3.03Å; S190-S193 WeakPolarHBondContact CA-OG 3.48Å; S190-S193 PolarHBondContact O-N 3.02Å; S190-S193 VanDerWaalsContact O-N 3.15Å; S190-S193 PolarHBondContact O-OG 3.11Å; A191-S193 VanDerWaalsContact C-N 3.35Å; A191-S193 PolarHBondContact O-N 2.79Å; S193-Y196 CarbonylContact O-C 3.59Å
194N92.5Very high91Very high120 Ų12047.2 Ų47.264%0.64226%0.26SS*.Hα-helixtrans-73.6-37.3175.6-70.4-22.1000111.5S190 A191 L192S190-N194 VanDerWaalsContact O-CG 3.29Å; S190-N194 PolarHBondContact O-N 3.47Å; S190-N194 PolarHBondContact O-ND2 2.98Å; A191-N194 PolarHBondContact O-N 2.74Å; L192-N194 VanDerWaalsContact C-N 3.32Å; L192-N194 PolarHBondContact O-N 3.23Å
195F92.7Very high91.3Very high31 Ų3144.9 Ų44.914%0.13625%0.247CC..Hα-helixtrans-80.2-34.1-179-162.2-89000113.1K58 E162 F163 W166 A191 L192K58-F195 HydrophobicContact CD-CD1 4.37Å; K58-F195 HydrophobicContact CD-CE1 4.16Å; E162-F195 HydrophobicContact CB-CZ 4.36Å; F163-F195 HydrophobicContact CB-CD1 4.1Å; F163-F195 HydrophobicContact CB-CE1 3.85Å; F163-F195 HydrophobicContact CB-CZ 4.18Å; F163-F195 HydrophobicContact CD2-CB 3.75Å; F163-F195 AromaticContact CD2-CD1 3.86Å; F163-F195 HydrophobicContact CD2-CD1 3.86Å; F163-F195 HydrophobicContact CD2-CD2 4.09Å; F163-F195 HydrophobicContact CD2-CE1 4.4Å; F163-F195 AromaticContact CD2-CG 3.65Å; F163-F195 HydrophobicContact CD2-CG 3.65Å; F163-F195 HydrophobicContact CE2-CB 4.04Å; F163-F195 HydrophobicContact CE2-CG 4.42Å; F163-F195 HydrophobicContact CG-CD1 4.42Å; W166-F195 HydrophobicContact CB-CE2 4.06Å; W166-F195 AromaticContact CD2-CD2 3.69Å; W166-F195 HydrophobicContact CD2-CD2 3.69Å; W166-F195 AromaticContact CD2-CE2 3.91Å; W166-F195 HydrophobicContact CD2-CE2 3.91Å; W166-F195 AromaticContact CE3-CD2 3.65Å; W166-F195 HydrophobicContact CE3-CD2 3.65Å; W166-F195 HydrophobicContact CE3-CE2 4.17Å; W166-F195 HydrophobicContact CE3-CG 4.45Å; W166-F195 HydrophobicContact CG-CD2 4.14Å; W166-F195 AromaticContact CG-CE2 3.84Å; W166-F195 HydrophobicContact CG-CE2 3.84Å; W166-F195 HydrophobicContact CH2-CD2 4.49Å; W166-F195 HydrophobicContact CZ3-CB 4.28Å; W166-F195 HydrophobicContact CZ3-CD2 4.05Å; A191-F195 WeakPolarHBondContact O-CB 3.45Å; A191-F195 PolarHBondContact O-N 2.9Å; L192-F195 PolarHBondContact O-N 3.03Å
196Y92.6Very high91.4Very high1 Ų144.8 Ų44.80%0.00425%0.246CC..  trans-122.8103.7178.9-59-71.4000111K58 F60 S159 F163 L192 S193 H198 T201 I205K58-Y196 HydrophobicContact CB-CD1 3.96Å; K58-Y196 HydrophobicContact CB-CE1 4.18Å; K58-Y196 HydrophobicContact CD-CD1 4.19Å; K58-Y196 HydrophobicContact CD-CE1 4.08Å; F60-Y196 AromaticContact CE2-CE1 3.89Å; F60-Y196 HydrophobicContact CE2-CE1 3.89Å; S159-Y196 PolarHBondContact O-OH 3.21Å; S159-Y196 WeakPolarHBondContact OG-CE1 3.43Å; S159-Y196 PolarHBondContact OG-OH 3.41Å; F163-Y196 HydrophobicContact CB-CE2 4.09Å; F163-Y196 HydrophobicContact CD2-CE2 4.11Å; F163-Y196 HydrophobicContact CG-CE2 4.05Å; L192-Y196 HydrophobicContact CD2-CD2 3.9Å; L192-Y196 HydrophobicContact CD2-CE2 3.97Å; L192-Y196 PolarHBondContact O-N 3.05Å; S193-Y196 CarbonylContact O-C 3.59Å; Y196-H198 VanDerWaalsContact C-N 3.33Å; Y196-T201 HydrophobicContact CD1-CG2 3.98Å; Y196-T201 HydrophobicContact CE1-CG2 4.38Å; Y196-T201 HydrophobicContact CG-CG2 4.44Å; Y196-I205 HydrophobicContact CE1-CG1 4.45Å; Y196-I205 HydrophobicContact CE2-CB 4.29Å; Y196-I205 HydrophobicContact CE2-CG1 4.13Å; Y196-I205 HydrophobicContact CE2-CG2 3.82Å
197S90Very high91.5Very high104 Ų10439.5 Ų39.573%0.72722%0.223SC*.  trans-68.8-31.6174.657.10000112.7A199S197-A199 PolarHBondContact O-N 3.22Å
198H89Confident91.5Very high66 Ų6638 Ų3831%0.30622%0.215SC..  trans-77.3113.5-179.4-175.3-121.6000111.8A59 V61 Y196 A200 T201 R202A59-H198 HydrophobicContact CB-CB 4.5Å; V61-H198 PolarHBondContact O-CE1 3.38Å; Y196-H198 VanDerWaalsContact C-N 3.33Å; H198-A200 PolarHBondContact O-N 3.27Å; H198-T201 PolarHBondContact ND1-N 3.17Å; H198-T201 PolarHBondContact ND1-OG1 3.49Å; H198-T201 WeakPolarHBondContact O-CB 3.28Å; H198-T201 PolarHBondContact O-N 3.43Å; H198-R202 PolarHBondContact O-N 2.92Å
199A89.3Confident91.5Very high45 Ų4538 Ų3837%0.37222%0.215SC..Hα-helixtrans-58.4-46.8-173.400000113.8S197 T201 R202 E203S197-A199 PolarHBondContact O-N 3.22Å; A199-T201 VanDerWaalsContact C-N 3.33Å; A199-T201 PolarHBondContact O-N 3.1Å; A199-R202 WeakPolarHBondContact O-CB 3.44Å; A199-R202 PolarHBondContact O-N 2.97Å; A199-R202 VanDerWaalsContact O-N 3.12Å; A199-E203 PolarHBondContact O-N 2.86Å
200A88.9Confident91.3Very high23 Ų2335 Ų3519%0.1920%0.2CC..Hα-helixtrans-67.5-34-179.800000112.2V61 H198 Y204V61-A200 HydrophobicContact CB-CB 4.08Å; V61-A200 HydrophobicContact CG1-CB 3.96Å; H198-A200 PolarHBondContact O-N 3.27Å; A200-Y204 WeakPolarHBondContact O-CB 3.33Å; A200-Y204 PolarHBondContact O-N 2.93Å
201T92.1Very high91Very high0 Ų033.6 Ų33.60%019%0.187CC..Hα-helixtrans-62.2-46.6170.4-60.40000110.3K58 A59 F60 Y196 H198 A199 E203 Y204 I205K58-T201 WeakPolarHBondContact O-CG2 3.35Å; K58-T201 PolarHBondContact O-OG1 3.14Å; A59-T201 WeakPolarHBondContact CA-OG1 3.15Å; F60-T201 HydrophobicContact CB-CG2 4.33Å; F60-T201 HydrophobicContact CD2-CG2 3.44Å; F60-T201 VanDerWaalsContact CD2-CG2 3.44Å; F60-T201 HydrophobicContact CE2-CG2 4.05Å; F60-T201 HydrophobicContact CG-CG2 4.21Å; F60-T201 PolarHBondContact N-OG1 3.45Å; Y196-T201 HydrophobicContact CD1-CG2 3.98Å; Y196-T201 HydrophobicContact CE1-CG2 4.38Å; Y196-T201 HydrophobicContact CG-CG2 4.44Å; H198-T201 PolarHBondContact ND1-N 3.17Å; H198-T201 PolarHBondContact ND1-OG1 3.49Å; H198-T201 WeakPolarHBondContact O-CB 3.28Å; H198-T201 PolarHBondContact O-N 3.43Å; A199-T201 VanDerWaalsContact C-N 3.33Å; A199-T201 PolarHBondContact O-N 3.1Å; T201-E203 VanDerWaalsContact C-N 3.34Å; T201-E203 PolarHBondContact O-N 3.36Å; T201-Y204 PolarHBondContact O-N 3.4Å; T201-I205 HydrophobicContact CG2-CG1 3.79Å; T201-I205 WeakPolarHBondContact O-CB 3.49Å; T201-I205 VanDerWaalsContact O-CG1 3.23Å; T201-I205 WeakPolarHBondContact O-CG1 3.49Å; T201-I205 PolarHBondContact O-N 2.86Å
202R93Very high90.5Very high65 Ų6537.5 Ų37.525%0.24521%0.207CC..Hα-helixtrans-58.5-46-178.2-179.8174.563.6-128.21.9112L192 H198 A199 I205 F206L192-R202 HydrophobicContact CB-CG 4.06Å; H198-R202 PolarHBondContact O-N 2.92Å; A199-R202 WeakPolarHBondContact O-CB 3.44Å; A199-R202 PolarHBondContact O-N 2.97Å; A199-R202 VanDerWaalsContact O-N 3.12Å; R202-I205 PolarHBondContact O-N 2.87Å; R202-F206 WeakPolarHBondContact O-CB 3.25Å; R202-F206 PolarHBondContact O-N 3.39Å
203E88.8Confident90.3Very high95 Ų9539.9 Ų39.944%0.44422%0.218SC..Hα-helixtrans-62.5-44.2176.6-71176.1-169.900111.7A199 T201 F206 D207A199-E203 PolarHBondContact O-N 2.86Å; T201-E203 VanDerWaalsContact C-N 3.34Å; T201-E203 PolarHBondContact O-N 3.36Å; E203-F206 PolarHBondContact O-N 3.1Å; E203-D207 PolarHBondContact O-N 3.49Å
204Y90.7Very high90.1Very high27 Ų2741.9 Ų41.911%0.10622%0.221CC..Hα-helixtrans-64.4-42.5176.6-178.8-89.2000112.6V61 V103 V151 A156 A200 T201 F206 D207 L208V61-Y204 HydrophobicContact CG2-CD1 4.5Å; V61-Y204 HydrophobicContact CG2-CD2 4.38Å; V61-Y204 HydrophobicContact CG2-CG 3.89Å; V103-Y204 HydrophobicContact CG1-CD2 4.2Å; V103-Y204 HydrophobicContact CG2-CD2 4.3Å; V103-Y204 HydrophobicContact CG2-CE2 4.41Å; V151-Y204 HydrophobicContact CB-CD2 4.49Å; V151-Y204 HydrophobicContact CB-CE1 4.48Å; V151-Y204 HydrophobicContact CB-CE2 4.11Å; V151-Y204 HydrophobicContact CG1-CE1 4.5Å; V151-Y204 HydrophobicContact CG1-CE2 3.79Å; V151-Y204 HydrophobicContact CG2-CD1 3.8Å; V151-Y204 HydrophobicContact CG2-CD2 4.25Å; V151-Y204 HydrophobicContact CG2-CE1 3.51Å; V151-Y204 HydrophobicContact CG2-CE2 3.97Å; V151-Y204 HydrophobicContact CG2-CG 4.16Å; A156-Y204 HydrophobicContact CB-CD1 4.1Å; A156-Y204 HydrophobicContact CB-CE1 3.72Å; A200-Y204 WeakPolarHBondContact O-CB 3.33Å; A200-Y204 PolarHBondContact O-N 2.93Å; T201-Y204 PolarHBondContact O-N 3.4Å; Y204-F206 VanDerWaalsContact C-N 3.3Å; Y204-F206 PolarHBondContact O-N 3.07Å; Y204-D207 PolarHBondContact O-N 2.94Å; Y204-L208 HydrophobicContact CE1-CB 4.25Å; Y204-L208 HydrophobicContact CE1-CD2 4.32Å; Y204-L208 VanDerWaalsContact O-CB 3.27Å; Y204-L208 WeakPolarHBondContact O-CB 3.44Å; Y204-L208 PolarHBondContact O-N 3.1Å
205I92.9Very high89.9Confident0 Ų036.1 Ų36.10%019%0.191CC..Hα-helixtrans-63.8-40.2177.7-66.8-69.6000110.1F60 A156 A160 L192 Y196 T201 R202 L208 L209F60-I205 HydrophobicContact CD2-CD1 4.29Å; A156-I205 HydrophobicContact CB-CD1 3.92Å; A156-I205 WeakPolarHBondContact O-CD1 3.38Å; A160-I205 HydrophobicContact CB-CD1 4.16Å; A160-I205 HydrophobicContact CB-CG2 4.36Å; L192-I205 HydrophobicContact CD2-CG2 4.11Å; Y196-I205 HydrophobicContact CE1-CG1 4.45Å; Y196-I205 HydrophobicContact CE2-CB 4.29Å; Y196-I205 HydrophobicContact CE2-CG1 4.13Å; Y196-I205 HydrophobicContact CE2-CG2 3.82Å; T201-I205 HydrophobicContact CG2-CG1 3.79Å; T201-I205 WeakPolarHBondContact O-CB 3.49Å; T201-I205 VanDerWaalsContact O-CG1 3.23Å; T201-I205 WeakPolarHBondContact O-CG1 3.49Å; T201-I205 PolarHBondContact O-N 2.86Å; R202-I205 PolarHBondContact O-N 2.87Å; I205-L208 HydrophobicContact CD1-CD2 4.22Å; I205-L208 WeakPolarHBondContact O-CB 3.42Å; I205-L208 PolarHBondContact O-N 3.36Å; I205-L209 HydrophobicContact CG2-CD1 3.9Å; I205-L209 HydrophobicContact CG2-CG 4.3Å; I205-L209 WeakPolarHBondContact O-CB 3.4Å; I205-L209 WeakPolarHBondContact O-CG 3.41Å; I205-L209 PolarHBondContact O-N 2.63Å
206F92Very high89.8Confident15 Ų1535 Ų357%0.06619%0.186CC..Hα-helixtrans-61.8-44.4174.1-173.5-90.7000112.1L110 F188 L192 R202 E203 Y204 L209 S210 V218 I232L110-F206 HydrophobicContact CD2-CD1 4.44Å; L110-F206 HydrophobicContact CD2-CE1 4.12Å; F188-F206 HydrophobicContact CD1-CD2 4.32Å; F188-F206 HydrophobicContact CD1-CE2 4.17Å; F188-F206 AromaticContact CE1-CD2 3.88Å; F188-F206 HydrophobicContact CE1-CD2 3.88Å; F188-F206 HydrophobicContact CE1-CE2 4.01Å; L192-F206 HydrophobicContact CD1-CB 4.23Å; L192-F206 HydrophobicContact CD1-CD2 3.76Å; L192-F206 HydrophobicContact CD1-CG 4.49Å; R202-F206 WeakPolarHBondContact O-CB 3.25Å; R202-F206 PolarHBondContact O-N 3.39Å; E203-F206 PolarHBondContact O-N 3.1Å; Y204-F206 VanDerWaalsContact C-N 3.3Å; Y204-F206 PolarHBondContact O-N 3.07Å; F206-L209 PolarHBondContact O-N 3.44Å; F206-S210 WeakPolarHBondContact O-CB 3.33Å; F206-S210 PolarHBondContact O-N 2.95Å; F206-S210 PolarHBondContact O-OG 2.94Å; F206-V218 HydrophobicContact CZ-CG2 3.75Å; F206-I232 HydrophobicContact CE2-CD1 4.04Å
207D88.4Confident89.6Confident29 Ų2936.1 Ų36.116%0.15519%0.194CC..Hα-helixtrans-63.9-40.9175.2-169.763.2000112.1E203 Y204 L209 S210 N211 I212E203-D207 PolarHBondContact O-N 3.49Å; Y204-D207 PolarHBondContact O-N 2.94Å; D207-L209 PolarHBondContact O-N 3.34Å; D207-S210 PolarHBondContact O-N 3.35Å; D207-N211 WeakPolarHBondContact O-CA 3.38Å; D207-N211 WeakPolarHBondContact O-CB 3.29Å; D207-N211 PolarHBondContact O-N 3.08Å; D207-N211 PolarHBondContact OD1-ND2 3.01Å; D207-I212 PolarHBondContact O-N 3.22Å
208L90.2Very high89.6Confident1 Ų133.1 Ų33.11%0.00517%0.172CC..Iπ-helixtrans-58.7-48.3175.5177.568.4000111.1A156 E157 A160 Y204 I205 I212 K213A156-L208 HydrophobicContact CB-CD2 4.34Å; E157-L208 HydrophobicContact CG-CD1 4.26Å; E157-L208 HydrophobicContact CG-CD2 4.18Å; A160-L208 HydrophobicContact CB-CD2 3.93Å; Y204-L208 HydrophobicContact CE1-CB 4.25Å; Y204-L208 HydrophobicContact CE1-CD2 4.32Å; Y204-L208 VanDerWaalsContact O-CB 3.27Å; Y204-L208 WeakPolarHBondContact O-CB 3.44Å; Y204-L208 PolarHBondContact O-N 3.1Å; I205-L208 HydrophobicContact CD1-CD2 4.22Å; I205-L208 WeakPolarHBondContact O-CB 3.42Å; I205-L208 PolarHBondContact O-N 3.36Å; L208-I212 HydrophobicContact CD1-CB 4.02Å; L208-I212 HydrophobicContact CD1-CD1 3.93Å; L208-I212 HydrophobicContact CD1-CG2 4.01Å; L208-I212 WeakPolarHBondContact O-CB 3.3Å; L208-I212 PolarHBondContact O-N 3.45Å; L208-K213 HydrophobicContact CD1-CG 4.09Å; L208-K213 HydrophobicContact CG-CG 4.3Å; L208-K213 WeakPolarHBondContact O-CB 3.29Å; L208-K213 PolarHBondContact O-N 2.86Å
209L91.9Very high89.3Confident0 Ų032.2 Ų32.20%017%0.168CC..Iπ-helixtrans-69-40.1-179.1-67.3172.8000112.3A160 F163 L164 F188 I205 F206 D207 H214 C215 V216A160-L209 HydrophobicContact CB-CD2 4.1Å; F163-L209 HydrophobicContact CD1-CD1 4.11Å; F163-L209 HydrophobicContact CE1-CD1 4.21Å; L164-L209 HydrophobicContact CD1-CD2 3.78Å; L164-L209 HydrophobicContact CD2-CD1 4.47Å; L164-L209 HydrophobicContact CD2-CD2 4.18Å; L164-L209 HydrophobicContact CG-CD2 3.98Å; F188-L209 HydrophobicContact CZ-CD1 4.11Å; I205-L209 HydrophobicContact CG2-CD1 3.9Å; I205-L209 HydrophobicContact CG2-CG 4.3Å; I205-L209 WeakPolarHBondContact O-CB 3.4Å; I205-L209 WeakPolarHBondContact O-CG 3.41Å; I205-L209 PolarHBondContact O-N 2.63Å; F206-L209 PolarHBondContact O-N 3.44Å; D207-L209 PolarHBondContact O-N 3.34Å; L209-H214 PolarHBondContact O-N 2.92Å; L209-C215 WeakPolarHBondContact CD2-SG 3.39Å; L209-C215 PolarHBondContact O-N 3.44Å; L209-C215 PolarHBondContact O-SG 3.45Å; L209-C215 VanDerWaalsContact O-SG 3.34Å; L209-V216 HydrophobicContact CB-CB 4.13Å; L209-V216 HydrophobicContact CB-CG2 3.83Å; L209-V216 HydrophobicContact CD1-CG2 4.48Å; L209-V216 PolarHBondContact O-N 3.01Å; L209-V216 VanDerWaalsContact O-N 3.12Å
210S89.3Confident89.1Confident7 Ų734 Ų345%0.04917%0.174CC..Iπ-helixtrans-85.9-48.8-174.258.70000114.1F206 D207 H214 V216F206-S210 WeakPolarHBondContact O-CB 3.33Å; F206-S210 PolarHBondContact O-N 2.95Å; F206-S210 PolarHBondContact O-OG 2.94Å; D207-S210 PolarHBondContact O-N 3.35Å; S210-H214 PolarHBondContact O-ND1 3.35Å; S210-H214 VanDerWaalsContact O-ND1 3.1Å; S210-V216 WeakPolarHBondContact CA-O 3.23Å
211N85.4Confident88.3Confident29 Ų2933.5 Ų33.516%0.15517%0.169CC..Iπ-helixtrans-102.7-28.7-168.1-70.9-44.9000114.1N106 I109 D207 H214N106-N211 WeakPolarHBondContact ND2-CB 3.32Å; I109-N211 WeakPolarHBondContact CD1-OD1 3.38Å; D207-N211 WeakPolarHBondContact O-CA 3.38Å; D207-N211 WeakPolarHBondContact O-CB 3.29Å; D207-N211 PolarHBondContact O-N 3.08Å; D207-N211 PolarHBondContact OD1-ND2 3.01Å; N211-H214 PolarHBondContact O-CE1 2.85Å; N211-H214 PolarHBondContact O-NE2 2.8Å
212I85.5Confident87.1Confident81 Ų8137.2 Ų37.242%0.41520%0.195SC..Iπ-helixtrans-94.8-55.1-177.9-56.3-180000110.4D207 L208D207-I212 PolarHBondContact O-N 3.22Å; L208-I212 HydrophobicContact CD1-CB 4.02Å; L208-I212 HydrophobicContact CD1-CD1 3.93Å; L208-I212 HydrophobicContact CD1-CG2 4.01Å; L208-I212 WeakPolarHBondContact O-CB 3.3Å; L208-I212 PolarHBondContact O-N 3.45Å
213K88.4Confident85.5Confident52 Ų5236.1 Ų36.123%0.22620%0.195CC..SBendtrans-89.2-20.2-176.6-63.1-67.2-173.9-179.30113E157 L208 C215 I238E157-K213 VanDerWaalsContact CD-CE 3.41Å; E157-K213 WeakPolarHBondContact OE1-CE 3.48Å; E157-K213 IonicContact OE1-NZ 3.77Å; E157-K213 PolarHBondContact OE1-NZ 2.98Å; E157-K213 IonicContact OE2-NZ 2.83Å; E157-K213 PolarHBondContact OE2-NZ 3.28Å; L208-K213 HydrophobicContact CD1-CG 4.09Å; L208-K213 HydrophobicContact CG-CG 4.3Å; L208-K213 WeakPolarHBondContact O-CB 3.29Å; L208-K213 PolarHBondContact O-N 2.86Å; K213-C215 PolarHBondContact O-N 3.17Å; K213-C215 VanDerWaalsContact O-N 3.13Å; K213-I238 HydrophobicContact CB-CG1 4.09Å; K213-I238 WeakPolarHBondContact CB-O 3.31Å; K213-I238 HydrophobicContact CD-CG1 4.18Å; K213-I238 HydrophobicContact CG-CD1 4.17Å; K213-I238 HydrophobicContact CG-CG1 3.81Å
214H87.9Confident84Confident88 Ų8837.3 Ų37.341%0.40721%0.214SC..  trans54.625.9-178.1-56.6-60.6000114.3L209 S210 N211 V216 R241 P242L209-H214 PolarHBondContact O-N 2.92Å; S210-H214 PolarHBondContact O-ND1 3.35Å; S210-H214 VanDerWaalsContact O-ND1 3.1Å; N211-H214 PolarHBondContact O-CE1 2.85Å; N211-H214 PolarHBondContact O-NE2 2.8Å; H214-V216 VanDerWaalsContact C-N 3.27Å; H214-R241 HydrophobicContact CB-CG 4.42Å; H214-P242 WeakPolarHBondContact O-CD 3.42Å
215C89.9Confident82.4Confident0 Ų043.1 Ų43.10%025%0.247CC..  trans-84.4-6.4174.660.20000111.9L209 K213 G235 D237 S240 P242L209-C215 WeakPolarHBondContact CD2-SG 3.39Å; L209-C215 PolarHBondContact O-N 3.44Å; L209-C215 PolarHBondContact O-SG 3.45Å; L209-C215 VanDerWaalsContact O-SG 3.34Å; K213-C215 PolarHBondContact O-N 3.17Å; K213-C215 VanDerWaalsContact O-N 3.13Å; C215-G235 PolarHBondContact O-N 3.3Å; C215-D237 WeakPolarHBondContact CB-O 3.26Å; C215-S240 WeakPolarHBondContact CA-O 3.44Å; C215-P242 WeakPolarHBondContact O-CG 3.29Å
216V90.5Very high80.9Confident6 Ų644.5 Ų44.54%0.03626%0.256CS..EExtended strand (participates in β ladder)trans-130137.7175.2176.10000110F188 L209 S210 H214 I232 R233 V234F188-V216 HydrophobicContact CZ-CG1 4.47Å; F188-V216 HydrophobicContact CZ-CG2 4.18Å; L209-V216 HydrophobicContact CB-CB 4.13Å; L209-V216 HydrophobicContact CB-CG2 3.83Å; L209-V216 HydrophobicContact CD1-CG2 4.48Å; L209-V216 PolarHBondContact O-N 3.01Å; L209-V216 VanDerWaalsContact O-N 3.12Å; S210-V216 WeakPolarHBondContact CA-O 3.23Å; H214-V216 VanDerWaalsContact C-N 3.27Å; V216-I232 HydrophobicContact CG1-CD1 3.24Å; V216-I232 HydrophobicContact CG1-CG1 3.33Å; V216-R233 CarbonylContact C-O 3.58Å; V216-R233 VanDerWaalsContact CA-O 3.3Å; V216-R233 WeakPolarHBondContact CA-O 3.42Å; V216-V234 HydrophobicContact CG2-CG1 4.28Å; V216-V234 HydrophobicContact CG2-CG2 4.47Å
217S88.5Confident79.7Confident25 Ų2551.9 Ų51.918%0.17529%0.291CS..EExtended strand (participates in β ladder)trans-131.7122.5176.4-178.20000110I232 R233 K244S217-I232 WeakPolarHBondContact O-CA 3.44Å; S217-R233 PolarHBondContact N-O 3.24Å; S217-R233 PolarHBondContact O-N 3.44Å; S217-K244 PolarHBondContact OG-NZ 3.31Å
218V88.1Confident78.8Confident42 Ų4254.9 Ų54.926%0.25531%0.312SS..EExtended strand (participates in β ladder)trans-85.8131.5170.2-178.10000109I185 F206 I231 I232I185-V218 HydrophobicContact CD1-CG1 3.79Å; I185-V218 HydrophobicContact CD1-CG2 4.2Å; F206-V218 HydrophobicContact CZ-CG2 3.75Å; V218-I231 WeakPolarHBondContact CA-O 3.39Å; V218-I232 HydrophobicContact CG2-CD1 4.27Å; V218-I232 HydrophobicContact CG2-CG1 4.25Å
219E84.4Confident78Confident47 Ų4756 Ų5622%0.2232%0.318CS..EExtended strand (participates in β ladder)trans-130.7143.6176.9-64.6176.5176.200108.7Q230 I231 R233 K244E219-Q230 WeakPolarHBondContact O-CA 3.36Å; E219-I231 HydrophobicContact CB-CD1 4.16Å; E219-I231 HydrophobicContact CB-CG1 3.84Å; E219-I231 PolarHBondContact N-O 3.04Å; E219-I231 WeakPolarHBondContact O-CG1 3.43Å; E219-I231 PolarHBondContact O-N 3.11Å; E219-R233 IonicContact OE1-NE 2.64Å; E219-R233 PolarHBondContact OE1-NE 3.28Å; E219-R233 IonicContact OE2-CZ 3.37Å; E219-R233 IonicContact OE2-NE 2.69Å; E219-R233 PolarHBondContact OE2-NE 3.36Å; E219-R233 IonicContact OE2-NH2 3.36Å; E219-R233 PolarHBondContact OE2-NH2 3.44Å; E219-K244 WeakPolarHBondContact OE1-CD 3.36Å; E219-K244 WeakPolarHBondContact OE1-CE 3.44Å; E219-K244 IonicContact OE1-NZ 3.65Å; E219-K244 PolarHBondContact OE1-NZ 2.89Å
220T83.8Confident77.6Confident82 Ų8259.3 Ų59.350%0.50333%0.333SS..EExtended strand (participates in β ladder)trans-102.4114.4170.8-56.60000107.8P228 I229T220-P228 HydrophobicContact CG2-CB 3.6Å; T220-I229 CarbonylContact C-O 3.58Å; T220-I229 WeakPolarHBondContact CA-O 3.46Å
221T72.9Confident77.6Confident13 Ų1359 Ų598%0.0833%0.331CS..EExtended strand (participates in β ladder)trans-99119.8176-620000108.6I229 I231 S255T221-I229 PolarHBondContact N-O 3.38Å; T221-I229 PolarHBondContact O-N 3.3Å; T221-I231 WeakPolarHBondContact OG1-CD1 3.31Å; T221-S255 WeakPolarHBondContact CG2-OG 3.46Å
222S67.4Low77.8Confident78 Ų7857.7 Ų57.755%0.54532%0.324SS..  trans-123.2128.4171.9590000109.6
223T59.3Low78.1Confident42 Ų4254.4 Ų54.426%0.25831%0.306SS..  trans-92.4159.8158.251.10000108.9D225 S226 S259T223-D225 PolarHBondContact O-N 3.24Å; T223-S226 PolarHBondContact O-N 3.05Å; T223-S226 WeakPolarHBondContact OG1-CB 3.37Å; T223-S259 VanDerWaalsContact CG2-OG 3.23Å; T223-S259 WeakPolarHBondContact CG2-OG 3.49Å; T223-S259 PolarHBondContact OG1-OG 3.24Å
224S57Low78.2Confident119 Ų11952.1 Ų52.183%0.83230%0.297SS*.THydrogen-bonded Turntrans-55.3-23.1-171.656.50000114.6
225D57.7Low78.3Confident149 Ų14948.1 Ų48.180%0.79728%0.28SS*.THydrogen-bonded Turntrans-118.6-2-167.7-62.48.8000112.8T223T223-D225 PolarHBondContact O-N 3.24Å
226S60.2Low78Confident29 Ų2956.2 Ų56.220%0.20332%0.317CS..SBendtrans-121.9150.4-173.5-64.70000112.3T223 Q263T223-S226 PolarHBondContact O-N 3.05Å; T223-S226 WeakPolarHBondContact OG1-CB 3.37Å; S226-Q263 PolarHBondContact OG-OE1 2.9Å
227Q66.1Low77.7Confident170 Ų17059.3 Ų59.379%0.79433%0.334SS*.PPolyproline II helixtrans-56.9142.7175.7-73.1-169.3-18.300110.8I229Q227-I229 PolarHBondContact O-N 2.8Å
228P70.9Confident77.4Confident92 Ų9258.6 Ų58.660%0.59733%0.328SS*.PPolyproline II helixtrans-62.7123.5178.825.9-33.2000109.5T220T220-P228 HydrophobicContact CG2-CB 3.6Å
229I73.1Confident77.2Confident25 Ų2562.5 Ų62.513%0.12835%0.347CS..EExtended strand (participates in β ladder)trans-101.9129.3178.9-61142.8000108.4T220 T221 Q227 I231 V262T220-I229 CarbonylContact C-O 3.58Å; T220-I229 WeakPolarHBondContact CA-O 3.46Å; T221-I229 PolarHBondContact N-O 3.38Å; T221-I229 PolarHBondContact O-N 3.3Å; Q227-I229 PolarHBondContact O-N 2.8Å; I229-I231 HydrophobicContact CG2-CG2 3.98Å; I229-V262 HydrophobicContact CB-CG1 4.37Å; I229-V262 HydrophobicContact CD1-CB 3.45Å; I229-V262 VanDerWaalsContact CD1-CB 3.45Å; I229-V262 HydrophobicContact CD1-CG1 3.32Å; I229-V262 HydrophobicContact CD1-CG2 4.09Å; I229-V262 HydrophobicContact CG1-CB 4.2Å; I229-V262 HydrophobicContact CG1-CG1 3.57Å; I229-V262 HydrophobicContact CG2-CB 4.43Å; I229-V262 HydrophobicContact CG2-CG1 3.93Å; I229-V262 HydrophobicContact CG2-CG2 4.04Å
230Q84.3Confident77.3Confident70 Ų7062.2 Ų62.233%0.32735%0.35SS..EExtended strand (participates in β ladder)trans-87.3115.2171-71.8-173.2-21.600109.2I185 E219I185-Q230 HydrophobicContact CB-CB 4.09Å; I185-Q230 WeakPolarHBondContact CB-O 3.33Å; I185-Q230 HydrophobicContact CD1-CB 4.17Å; I185-Q230 HydrophobicContact CG2-CB 3.54Å; I185-Q230 WeakPolarHBondContact CG2-O 3.36Å; I185-Q230 PolarHBondContact N-O 2.91Å; E219-Q230 WeakPolarHBondContact O-CA 3.36Å
231I88.5Confident77.4Confident1 Ų167 Ų671%0.00536%0.359CS..EExtended strand (participates in β ladder)trans-106.7158.6174.763.2175.2000109.1L176 V182 Y183 V218 E219 T221 I229 L258L176-I231 HydrophobicContact CD1-CG2 3.89Å; V182-I231 HydrophobicContact CG1-CB 3.99Å; V182-I231 HydrophobicContact CG1-CD1 3.91Å; V182-I231 HydrophobicContact CG1-CG1 4.36Å; Y183-I231 WeakPolarHBondContact O-CA 3.41Å; V218-I231 WeakPolarHBondContact CA-O 3.39Å; E219-I231 HydrophobicContact CB-CD1 4.16Å; E219-I231 HydrophobicContact CB-CG1 3.84Å; E219-I231 PolarHBondContact N-O 3.04Å; E219-I231 WeakPolarHBondContact O-CG1 3.43Å; E219-I231 PolarHBondContact O-N 3.11Å; T221-I231 WeakPolarHBondContact OG1-CD1 3.31Å; I229-I231 HydrophobicContact CG2-CG2 3.98Å; I231-L258 HydrophobicContact CD1-CD1 3.67Å
232I90.4Very high77.8Confident0 Ų067 Ų670%036%0.359CS..EExtended strand (participates in β ladder)trans-127.6125.1174.9-164.1170.6000110V182 Y183 F188 F206 V216 S217 V218V182-I232 WeakPolarHBondContact CA-O 3.32Å; Y183-I232 PolarHBondContact N-O 3.48Å; Y183-I232 PolarHBondContact O-N 3.32Å; F188-I232 HydrophobicContact CB-CD1 4.13Å; F188-I232 HydrophobicContact CB-CG2 3.7Å; F188-I232 HydrophobicContact CD1-CD1 3.34Å; F188-I232 HydrophobicContact CD2-CD1 4.1Å; F188-I232 HydrophobicContact CD2-CG2 4.35Å; F188-I232 HydrophobicContact CE1-CD1 3.6Å; F188-I232 HydrophobicContact CE2-CD1 4.36Å; F188-I232 HydrophobicContact CG-CD1 3.6Å; F188-I232 HydrophobicContact CG-CG2 4.07Å; F188-I232 HydrophobicContact CZ-CD1 4.12Å; F206-I232 HydrophobicContact CE2-CD1 4.04Å; V216-I232 HydrophobicContact CG1-CD1 3.24Å; V216-I232 HydrophobicContact CG1-CG1 3.33Å; S217-I232 WeakPolarHBondContact O-CA 3.44Å; V218-I232 HydrophobicContact CG2-CD1 4.27Å; V218-I232 HydrophobicContact CG2-CG1 4.25Å
233R91Very high78.4Confident12 Ų1269.9 Ų69.95%0.04537%0.369CS..EExtended strand (participates in β ladder)trans-93.9129.4171.3-55-174.8175.4-89.1-16.1108.9A181 V182 V216 S217 E219 P242 N243 E254A181-R233 WeakPolarHBondContact O-CA 3.23Å; V182-R233 HydrophobicContact CG2-CG 4.15Å; V216-R233 CarbonylContact C-O 3.58Å; V216-R233 VanDerWaalsContact CA-O 3.3Å; V216-R233 WeakPolarHBondContact CA-O 3.42Å; S217-R233 PolarHBondContact N-O 3.24Å; S217-R233 PolarHBondContact O-N 3.44Å; E219-R233 IonicContact OE1-NE 2.64Å; E219-R233 PolarHBondContact OE1-NE 3.28Å; E219-R233 IonicContact OE2-CZ 3.37Å; E219-R233 IonicContact OE2-NE 2.69Å; E219-R233 PolarHBondContact OE2-NE 3.36Å; E219-R233 IonicContact OE2-NH2 3.36Å; E219-R233 PolarHBondContact OE2-NH2 3.44Å; R233-P242 HydrophobicContact CB-CB 3.49Å; R233-P242 VanDerWaalsContact CB-CB 3.49Å; R233-P242 HydrophobicContact CB-CG 4.11Å; R233-P242 WeakPolarHBondContact O-CG 3.49Å; R233-N243 PolarHBondContact NH1-O 2.97Å; R233-E254 IonicContact CZ-OE1 3.73Å; R233-E254 IonicContact NH1-OE1 2.91Å; R233-E254 PolarHBondContact NH1-OE1 3.23Å; R233-E254 IonicContact NH2-OE1 2.6Å; R233-E254 PolarHBondContact NH2-OE1 3.28Å
234V91.2Very high79.5Confident5 Ų572.9 Ų72.93%0.0338%0.378CS..EExtended strand (participates in β ladder)trans-115.3126.5-178.9-1730000108.6L164 F167 A181 Y183 F188 V216L164-V234 HydrophobicContact CD2-CG1 3.68Å; F167-V234 HydrophobicContact CE1-CG2 4.06Å; A181-V234 WeakPolarHBondContact CB-O 3.39Å; A181-V234 PolarHBondContact O-N 2.92Å; Y183-V234 HydrophobicContact CD2-CB 4.47Å; Y183-V234 HydrophobicContact CD2-CG2 3.9Å; Y183-V234 HydrophobicContact CE2-CB 4.32Å; Y183-V234 HydrophobicContact CE2-CG2 4.19Å; F188-V234 HydrophobicContact CD2-CG2 4.06Å; F188-V234 HydrophobicContact CE2-CG2 3.89Å; V216-V234 HydrophobicContact CG2-CG1 4.28Å; V216-V234 HydrophobicContact CG2-CG2 4.47Å
235G88.4Confident80.4Confident4 Ų469 Ų694%0.04135%0.35CS..  trans-67.9163.6173.400000111.6H168 C215H168-G235 PolarHBondContact CE1-O 3.36Å; H168-G235 PolarHBondContact NE2-O 3.22Å; C215-G235 PolarHBondContact O-N 3.3Å
236E83.8Confident81.3Confident170 Ų17069.2 Ų69.279%0.79436%0.357SS*.SBendtrans-65.7-43.3-179.8-174.5170.9-173.100111.9
237D85.1Confident82.3Confident71 Ų7172.5 Ų72.538%0.3837%0.372SS..SBendtrans-131.8178.2175.369.524.4000111.3C215 N239 S240C215-D237 WeakPolarHBondContact CB-O 3.26Å; D237-N239 PolarHBondContact O-N 3.42Å; D237-N239 WeakPolarHBondContact OD1-CA 3.46Å; D237-N239 PolarHBondContact OD1-N 3.22Å; D237-S240 VanDerWaalsContact CG-OG 3.22Å; D237-S240 PolarHBondContact O-N 3.42Å; D237-S240 WeakPolarHBondContact OD1-CA 3.39Å; D237-S240 WeakPolarHBondContact OD1-CB 3.35Å; D237-S240 PolarHBondContact OD1-N 3.49Å; D237-S240 PolarHBondContact OD1-OG 3.16Å; D237-S240 PolarHBondContact OD2-OG 2.73Å
238I82.8Confident83.1Confident9 Ų967.7 Ų67.75%0.04636%0.357CS..THydrogen-bonded Turntrans-65.9-17.6-179.3-161.2165.8000113.5A160 M161 L164 K213A160-I238 HydrophobicContact CB-CD1 3.97Å; M161-I238 HydrophobicContact CG-CB 3.86Å; M161-I238 HydrophobicContact CG-CD1 3.8Å; M161-I238 HydrophobicContact CG-CG1 4.45Å; M161-I238 HydrophobicContact CG-CG2 3.57Å; M161-I238 HydrophobicContact SD-CG2 3.79Å; L164-I238 HydrophobicContact CD1-CB 4.06Å; L164-I238 HydrophobicContact CD1-CG1 4.44Å; K213-I238 HydrophobicContact CB-CG1 4.09Å; K213-I238 WeakPolarHBondContact CB-O 3.31Å; K213-I238 HydrophobicContact CD-CG1 4.18Å; K213-I238 HydrophobicContact CG-CD1 4.17Å; K213-I238 HydrophobicContact CG-CG1 3.81Å
239N83.7Confident83.7Confident124 Ų12468 Ų6866%0.66335%0.354SS*.THydrogen-bonded Turntrans-101.3-11.8-178.8-61.3-52.4000112.5D237D237-N239 PolarHBondContact O-N 3.42Å; D237-N239 WeakPolarHBondContact OD1-CA 3.46Å; D237-N239 PolarHBondContact OD1-N 3.22Å
240S85.1Confident84.1Confident41 Ų4169 Ų6929%0.28737%0.366SS..SBendtrans-94.4120.3-174.8-650000109.6C215 D237C215-S240 WeakPolarHBondContact CA-O 3.44Å; D237-S240 VanDerWaalsContact CG-OG 3.22Å; D237-S240 PolarHBondContact O-N 3.42Å; D237-S240 WeakPolarHBondContact OD1-CA 3.39Å; D237-S240 WeakPolarHBondContact OD1-CB 3.35Å; D237-S240 PolarHBondContact OD1-N 3.49Å; D237-S240 PolarHBondContact OD1-OG 3.16Å; D237-S240 PolarHBondContact OD2-OG 2.73Å
241R85.7Confident84Confident183 Ų18367.4 Ų67.469%0.69137%0.365SS*.PPolyproline II helixtrans-66.8144.3172-67.7-177179.6-176.8-1.1109.6H214 N243H214-R241 HydrophobicContact CB-CG 4.42Å; R241-N243 PolarHBondContact O-N 3.3Å
242P83.3Confident83.7Confident13 Ų1373.8 Ų73.88%0.08439%0.393CS..PPolyproline II helixtrans-57.8137.2174.7-18.326000111.1H214 C215 R233 K244H214-P242 WeakPolarHBondContact O-CD 3.42Å; C215-P242 WeakPolarHBondContact O-CG 3.29Å; R233-P242 HydrophobicContact CB-CB 3.49Å; R233-P242 VanDerWaalsContact CB-CB 3.49Å; R233-P242 HydrophobicContact CB-CG 4.11Å; R233-P242 WeakPolarHBondContact O-CG 3.49Å; P242-K244 PolarHBondContact O-N 3Å
243N80Confident83.3Confident138 Ų13876.4 Ų76.474%0.73841%0.406SS*.PPolyproline II helixtrans-64.7123.1174-70.4-26.9000109.4R233 R241R233-N243 PolarHBondContact NH1-O 2.97Å; R241-N243 PolarHBondContact O-N 3.3Å
244K80.6Confident82.9Confident105 Ų10576.3 Ų76.346%0.45741%0.406SS..  trans-115.7145.8172.9-62.3-167.2-173.1-153.80109.3S217 E219 P242 T246S217-K244 PolarHBondContact OG-NZ 3.31Å; E219-K244 WeakPolarHBondContact OE1-CD 3.36Å; E219-K244 WeakPolarHBondContact OE1-CE 3.44Å; E219-K244 IonicContact OE1-NZ 3.65Å; E219-K244 PolarHBondContact OE1-NZ 2.89Å; P242-K244 PolarHBondContact O-N 3Å; K244-T246 PolarHBondContact O-N 3.43Å
245P77.1Confident82.5Confident38 Ų3877.9 Ų77.925%0.24742%0.417CS..  trans-62.4121.5176.123.3-31.7000110.6A250 A251 E254P245-A250 HydrophobicContact CB-CB 3.99Å; P245-A251 HydrophobicContact CB-CB 4.06Å; P245-A251 HydrophobicContact CG-CB 3.61Å; P245-E254 WeakPolarHBondContact CD-OE2 3.39Å; P245-E254 WeakPolarHBondContact CG-OE2 3.35Å
246T76.1Confident82.2Confident154 Ų15480 Ų8095%0.94543%0.432SS*.SBendtrans-72.3-28.8-176.1-41.90000113.1K244K244-T246 PolarHBondContact O-N 3.43Å
247N81.4Confident82.3Confident97 Ų9772 Ų7252%0.51939%0.394SS..SBendtrans-105.2141.5-179.1-174.4-2000110.9D249 A250 A251N247-D249 PolarHBondContact O-N 3.32Å; N247-D249 PolarHBondContact OD1-N 2.73Å; N247-A250 PolarHBondContact O-N 3.3Å; N247-A251 PolarHBondContact O-N 3.49Å
248S82.3Confident82.3Confident69 Ų6968.7 Ų68.748%0.48338%0.377SS..Hα-helixtrans-54.7-35.5176.8-179.10000113.6K252S248-K252 WeakPolarHBondContact O-CG 2.9Å; S248-K252 PolarHBondContact O-N 2.88Å; S248-K252 VanDerWaalsContact O-N 3.08Å
249D83.2Confident82.1Confident98 Ų9868.4 Ų68.452%0.52438%0.375SS..Hα-helixtrans-72.2-42.4-178.6-69-24.2000111.8N247 A251 K252 I253N247-D249 PolarHBondContact O-N 3.32Å; N247-D249 PolarHBondContact OD1-N 2.73Å; D249-A251 VanDerWaalsContact C-N 3.3Å; D249-A251 PolarHBondContact O-N 3.5Å; D249-K252 PolarHBondContact O-N 3.49Å; D249-I253 WeakPolarHBondContact O-CG1 3.42Å; D249-I253 PolarHBondContact O-N 2.75Å
250A82.3Confident82Confident46 Ų4663.1 Ų63.138%0.3835%0.35SS..Hα-helixtrans-61.8-41.4173.900000111P245 N247 K252 I253 E254P245-A250 HydrophobicContact CB-CB 3.99Å; N247-A250 PolarHBondContact O-N 3.3Å; A250-K252 PolarHBondContact O-N 3.34Å; A250-I253 PolarHBondContact O-N 3.39Å; A250-E254 VanDerWaalsContact O-CB 3.3Å; A250-E254 WeakPolarHBondContact O-CB 3.39Å; A250-E254 PolarHBondContact O-N 2.89Å
251A82.4Confident81.9Confident37 Ų3761.3 Ų61.331%0.30634%0.337SS..Hα-helixtrans-61.3-40.7176.900000112.9P245 N247 D249 S255P245-A251 HydrophobicContact CB-CB 4.06Å; P245-A251 HydrophobicContact CG-CB 3.61Å; N247-A251 PolarHBondContact O-N 3.49Å; D249-A251 VanDerWaalsContact C-N 3.3Å; D249-A251 PolarHBondContact O-N 3.5Å; A251-S255 VanDerWaalsContact O-CB 3.23Å; A251-S255 WeakPolarHBondContact O-CB 3.41Å; A251-S255 PolarHBondContact O-N 2.94Å
252K81.6Confident81.7Confident135 Ų13553.6 Ų53.659%0.58731%0.311SS*.Hα-helixtrans-66.2-44.7176-73.7170.3-176.4170.80112.2S248 D249 A250 E254 S255 S256S248-K252 WeakPolarHBondContact O-CG 2.9Å; S248-K252 PolarHBondContact O-N 2.88Å; S248-K252 VanDerWaalsContact O-N 3.08Å; D249-K252 PolarHBondContact O-N 3.49Å; A250-K252 PolarHBondContact O-N 3.34Å; K252-E254 VanDerWaalsContact C-N 3.33Å; K252-S255 PolarHBondContact O-N 2.72Å; K252-S256 WeakPolarHBondContact O-CB 3.47Å; K252-S256 PolarHBondContact O-N 3.39Å
253I82.1Confident81.4Confident55 Ų5556.8 Ų56.828%0.28233%0.325SS..Hα-helixtrans-62.2-45.1178.1-65.9167.2000109.9D249 A250 S256 A257 N338 V342D249-I253 WeakPolarHBondContact O-CG1 3.42Å; D249-I253 PolarHBondContact O-N 2.75Å; A250-I253 PolarHBondContact O-N 3.39Å; I253-S256 WeakPolarHBondContact O-CB 3.37Å; I253-S256 PolarHBondContact O-N 3.39Å; I253-A257 PolarHBondContact O-N 2.89Å; I253-N338 HydrophobicContact CG2-CB 3.89Å; I253-V342 HydrophobicContact CG2-CG2 4.16Å
254E83.3Confident81.6Confident10 Ų1050.4 Ų50.45%0.04729%0.29CS..Hα-helixtrans-64.2-46.1178.6-168.4-179.9146.300112.1L177 R233 P245 A250 K252 S256 A257 L258L177-E254 HydrophobicContact CD1-CG 3.45Å; L177-E254 VanDerWaalsContact CD1-CG 3.45Å; R233-E254 IonicContact CZ-OE1 3.73Å; R233-E254 IonicContact NH1-OE1 2.91Å; R233-E254 PolarHBondContact NH1-OE1 3.23Å; R233-E254 IonicContact NH2-OE1 2.6Å; R233-E254 PolarHBondContact NH2-OE1 3.28Å; P245-E254 WeakPolarHBondContact CD-OE2 3.39Å; P245-E254 WeakPolarHBondContact CG-OE2 3.35Å; A250-E254 VanDerWaalsContact O-CB 3.3Å; A250-E254 WeakPolarHBondContact O-CB 3.39Å; A250-E254 PolarHBondContact O-N 2.89Å; K252-E254 VanDerWaalsContact C-N 3.33Å; E254-S256 VanDerWaalsContact C-N 3.27Å; E254-S256 PolarHBondContact O-N 3.08Å; E254-A257 PolarHBondContact O-N 3.33Å; E254-L258 HydrophobicContact CG-CD1 4Å; E254-L258 HydrophobicContact CG-CG 4.48Å; E254-L258 WeakPolarHBondContact O-CB 3.41Å; E254-L258 VanDerWaalsContact O-CG 3.29Å; E254-L258 WeakPolarHBondContact O-CG 3.22Å; E254-L258 PolarHBondContact O-N 3.07Å
255S81.9Confident81.7Confident38 Ų3848.9 Ų48.927%0.26628%0.284SS..Hα-helixtrans-58.3-39.6174.5173.60000112.2T221 A251 K252 S259T221-S255 WeakPolarHBondContact CG2-OG 3.46Å; A251-S255 VanDerWaalsContact O-CB 3.23Å; A251-S255 WeakPolarHBondContact O-CB 3.41Å; A251-S255 PolarHBondContact O-N 2.94Å; K252-S255 PolarHBondContact O-N 2.72Å; S255-S259 WeakPolarHBondContact O-CB 3.28Å; S255-S259 PolarHBondContact O-N 3.44Å
256S81.8Confident81.8Confident50 Ų5049.8 Ų49.835%0.3529%0.291SS..Hα-helixtrans-66.9-42.4175.7-171.80000111.9K252 I253 E254 G260K252-S256 WeakPolarHBondContact O-CB 3.47Å; K252-S256 PolarHBondContact O-N 3.39Å; I253-S256 WeakPolarHBondContact O-CB 3.37Å; I253-S256 PolarHBondContact O-N 3.39Å; E254-S256 VanDerWaalsContact C-N 3.27Å; E254-S256 PolarHBondContact O-N 3.08Å; S256-G260 PolarHBondContact O-N 3.04Å
257A85.8Confident82.1Confident0 Ų043.9 Ų43.90%026%0.255CS..Hα-helixtrans-61.9-50.3176.100000111L177 I253 E254 S259 G260 I261 I341 V342L177-A257 HydrophobicContact CD2-CB 4.05Å; I253-A257 PolarHBondContact O-N 2.89Å; E254-A257 PolarHBondContact O-N 3.33Å; A257-S259 PolarHBondContact O-N 3.3Å; A257-G260 PolarHBondContact O-N 2.9Å; A257-I261 VanDerWaalsContact O-CG1 3.22Å; A257-I261 WeakPolarHBondContact O-CG1 3.3Å; A257-I261 PolarHBondContact O-N 3.15Å; A257-I341 HydrophobicContact CB-CB 4.28Å; A257-I341 HydrophobicContact CB-CG2 3.82Å; A257-V342 HydrophobicContact CB-CG2 4.02Å
258L85.1Confident82.3Confident2 Ų240 Ų401%0.0123%0.234CC..Hα-helixtrans-57.9-49.3178.9-72.5165.9000112L176 L177 V182 I231 E254 G260 I261 V262L176-L258 HydrophobicContact CB-CD2 3.63Å; L176-L258 HydrophobicContact CD1-CD2 4.04Å; L177-L258 HydrophobicContact CD1-CD1 4.19Å; L177-L258 HydrophobicContact CD1-CD2 3.71Å; L177-L258 HydrophobicContact CD1-CG 3.86Å; L177-L258 HydrophobicContact CD2-CD2 4.32Å; L177-L258 HydrophobicContact CD2-CG 4.5Å; L177-L258 HydrophobicContact CG-CD2 3.67Å; L177-L258 HydrophobicContact CG-CG 4.19Å; V182-L258 HydrophobicContact CB-CD2 4.25Å; V182-L258 HydrophobicContact CG1-CD1 4.4Å; V182-L258 HydrophobicContact CG1-CD2 3.75Å; I231-L258 HydrophobicContact CD1-CD1 3.67Å; E254-L258 HydrophobicContact CG-CD1 4Å; E254-L258 HydrophobicContact CG-CG 4.48Å; E254-L258 WeakPolarHBondContact O-CB 3.41Å; E254-L258 VanDerWaalsContact O-CG 3.29Å; E254-L258 WeakPolarHBondContact O-CG 3.22Å; E254-L258 PolarHBondContact O-N 3.07Å; L258-G260 VanDerWaalsContact C-N 3.31Å; L258-G260 PolarHBondContact O-N 3.4Å; L258-I261 PolarHBondContact O-N 3.5Å; L258-V262 VanDerWaalsContact O-CG2 3.29Å; L258-V262 WeakPolarHBondContact O-CG2 3.3Å; L258-V262 PolarHBondContact O-N 2.93Å; L258-V262 VanDerWaalsContact O-N 3.1Å
259S79.5Confident82.4Confident3 Ų343.1 Ų43.12%0.02124%0.239CC..Hα-helixtrans-61.8-39.7178.5-176.50000112.3T223 S255 A257 Q263T223-S259 VanDerWaalsContact CG2-OG 3.23Å; T223-S259 WeakPolarHBondContact CG2-OG 3.49Å; T223-S259 PolarHBondContact OG1-OG 3.24Å; S255-S259 WeakPolarHBondContact O-CB 3.28Å; S255-S259 PolarHBondContact O-N 3.44Å; A257-S259 PolarHBondContact O-N 3.3Å; S259-Q263 WeakPolarHBondContact O-CB 3.5Å; S259-Q263 PolarHBondContact O-N 3.46Å
260G80.8Confident82.3Confident13 Ų1344 Ų4413%0.13424%0.239CC..Hα-helixtrans-70.4-39.1179.700000112.9S256 A257 L258 V262 Q263 L264 L345S256-G260 PolarHBondContact O-N 3.04Å; A257-G260 PolarHBondContact O-N 2.9Å; L258-G260 VanDerWaalsContact C-N 3.31Å; L258-G260 PolarHBondContact O-N 3.4Å; G260-V262 VanDerWaalsContact C-N 3.35Å; G260-V262 PolarHBondContact O-N 2.82Å; G260-Q263 PolarHBondContact O-N 2.68Å; G260-L264 VanDerWaalsContact O-CB 3.3Å; G260-L264 WeakPolarHBondContact O-CB 3.4Å; G260-L264 PolarHBondContact O-N 2.86Å; G260-L345 VanDerWaalsContact C-CD2 3.48Å
261I84.5Confident82.5Confident3 Ų342.2 Ų42.22%0.01522%0.224CC..Hα-helixtrans-62.9-43.5176.5-67.6166.5000111L176 L177 A257 L258 L264 K265 I332 I341 L345L176-I261 HydrophobicContact CD2-CG2 4.07Å; L176-I261 WeakPolarHBondContact O-CD1 3.33Å; L177-I261 HydrophobicContact CD2-CD1 4.05Å; A257-I261 VanDerWaalsContact O-CG1 3.22Å; A257-I261 WeakPolarHBondContact O-CG1 3.3Å; A257-I261 PolarHBondContact O-N 3.15Å; L258-I261 PolarHBondContact O-N 3.5Å; I261-L264 WeakPolarHBondContact O-CB 3.46Å; I261-L264 PolarHBondContact O-N 2.86Å; I261-K265 HydrophobicContact CG2-CD 4.44Å; I261-K265 WeakPolarHBondContact O-CG 3.47Å; I261-K265 PolarHBondContact O-N 2.89Å; I261-I332 HydrophobicContact CD1-CG2 3.9Å; I261-I332 HydrophobicContact CG1-CD1 4.41Å; I261-I332 HydrophobicContact CG1-CG2 3.97Å; I261-I341 HydrophobicContact CD1-CG2 3.93Å; I261-I341 HydrophobicContact CG1-CG2 4.23Å; I261-L345 HydrophobicContact CG1-CD1 4.42Å
262V79.6Confident82.8Confident21 Ų2144.6 Ų44.613%0.12723%0.228CC..Hα-helixtrans-69.6-40.2179.8176.70000111L176 I229 L258 G260 L264 K265 S266L176-V262 HydrophobicContact CD1-CG2 4.09Å; L176-V262 HydrophobicContact CD2-CG2 4.14Å; I229-V262 HydrophobicContact CB-CG1 4.37Å; I229-V262 HydrophobicContact CD1-CB 3.45Å; I229-V262 VanDerWaalsContact CD1-CB 3.45Å; I229-V262 HydrophobicContact CD1-CG1 3.32Å; I229-V262 HydrophobicContact CD1-CG2 4.09Å; I229-V262 HydrophobicContact CG1-CB 4.2Å; I229-V262 HydrophobicContact CG1-CG1 3.57Å; I229-V262 HydrophobicContact CG2-CB 4.43Å; I229-V262 HydrophobicContact CG2-CG1 3.93Å; I229-V262 HydrophobicContact CG2-CG2 4.04Å; L258-V262 VanDerWaalsContact O-CG2 3.29Å; L258-V262 WeakPolarHBondContact O-CG2 3.3Å; L258-V262 PolarHBondContact O-N 2.93Å; L258-V262 VanDerWaalsContact O-N 3.1Å; G260-V262 VanDerWaalsContact C-N 3.35Å; G260-V262 PolarHBondContact O-N 2.82Å; V262-L264 VanDerWaalsContact C-N 3.31Å; V262-L264 PolarHBondContact O-N 2.9Å; V262-K265 PolarHBondContact O-N 3.36Å; V262-S266 WeakPolarHBondContact O-CB 3.33Å; V262-S266 PolarHBondContact O-N 2.64Å
263Q78.6Confident83Confident81 Ų8142.9 Ų42.938%0.37923%0.226SC..Hα-helixtrans-60.6-41.8172.9-176.4175.73.600111.7S226 S259 G260 S266 T267S226-Q263 PolarHBondContact OG-OE1 2.9Å; S259-Q263 WeakPolarHBondContact O-CB 3.5Å; S259-Q263 PolarHBondContact O-N 3.46Å; G260-Q263 PolarHBondContact O-N 2.68Å; Q263-S266 PolarHBondContact O-N 3.04Å; Q263-T267 WeakPolarHBondContact O-CB 3.34Å; Q263-T267 PolarHBondContact O-N 3.38Å; Q263-T267 PolarHBondContact O-OG1 3.42Å
264L83.5Confident83.1Confident4 Ų443.8 Ų43.82%0.02123%0.229CC..Hα-helixtrans-60.2-52.6174.9176.559.4000111G260 I261 V262 S266 T267 I268 L325 L329 I332 V348G260-L264 VanDerWaalsContact O-CB 3.3Å; G260-L264 WeakPolarHBondContact O-CB 3.4Å; G260-L264 PolarHBondContact O-N 2.86Å; I261-L264 WeakPolarHBondContact O-CB 3.46Å; I261-L264 PolarHBondContact O-N 2.86Å; V262-L264 VanDerWaalsContact C-N 3.31Å; V262-L264 PolarHBondContact O-N 2.9Å; L264-S266 VanDerWaalsContact C-N 3.32Å; L264-S266 PolarHBondContact O-N 3.3Å; L264-T267 WeakPolarHBondContact O-CB 3.5Å; L264-T267 PolarHBondContact O-N 3.35Å; L264-I268 HydrophobicContact CD1-CD1 4.27Å; L264-I268 HydrophobicContact CD1-CG1 4.44Å; L264-I268 HydrophobicContact CG-CD1 4.18Å; L264-I268 WeakPolarHBondContact O-CG1 3.42Å; L264-I268 PolarHBondContact O-N 2.82Å; L264-L325 HydrophobicContact CD1-CB 3.87Å; L264-L325 HydrophobicContact CD1-CD1 4.32Å; L264-L325 HydrophobicContact CD1-CD2 3.47Å; L264-L325 VanDerWaalsContact CD1-CD2 3.47Å; L264-L325 HydrophobicContact CD1-CG 4.06Å; L264-L329 HydrophobicContact CD2-CD1 4.41Å; L264-I332 HydrophobicContact CD2-CD1 3.57Å; L264-V348 HydrophobicContact CD1-CG1 4.05Å
265K83.3Confident83.4Confident72 Ų7245 Ų4531%0.31324%0.235SC..Hα-helixtrans-59-40.8177.4-73.1-173.5176.5-1710112.5I261 V262 T267 I268 K269 L329I261-K265 HydrophobicContact CG2-CD 4.44Å; I261-K265 WeakPolarHBondContact O-CG 3.47Å; I261-K265 PolarHBondContact O-N 2.89Å; V262-K265 PolarHBondContact O-N 3.36Å; K265-T267 VanDerWaalsContact C-N 3.33Å; K265-T267 PolarHBondContact O-N 3.41Å; K265-I268 PolarHBondContact O-N 2.68Å; K265-K269 PolarHBondContact O-N 3.35Å; K265-L329 HydrophobicContact CG-CD1 4.45Å
266S79.4Confident83.9Confident58 Ų5849.9 Ų49.941%0.40625%0.251SS..Hα-helixtrans-63-39.4174.2-177.50000112.1V262 Q263 L264 K269 Q270V262-S266 WeakPolarHBondContact O-CB 3.33Å; V262-S266 PolarHBondContact O-N 2.64Å; Q263-S266 PolarHBondContact O-N 3.04Å; L264-S266 VanDerWaalsContact C-N 3.32Å; L264-S266 PolarHBondContact O-N 3.3Å; S266-K269 PolarHBondContact O-N 2.97Å; S266-Q270 WeakPolarHBondContact O-CG 3.38Å; S266-Q270 PolarHBondContact O-N 2.78Å
267T80.6Confident84.3Confident29 Ų2954.4 Ų54.418%0.17826%0.26CS..Hα-helixtrans-67.9-42.7178.4-54.80000111Q263 L264 K265 K269 Q270 L271 L325 L352Q263-T267 WeakPolarHBondContact O-CB 3.34Å; Q263-T267 PolarHBondContact O-N 3.38Å; Q263-T267 PolarHBondContact O-OG1 3.42Å; L264-T267 WeakPolarHBondContact O-CB 3.5Å; L264-T267 PolarHBondContact O-N 3.35Å; K265-T267 VanDerWaalsContact C-N 3.33Å; K265-T267 PolarHBondContact O-N 3.41Å; T267-K269 PolarHBondContact O-N 3.02Å; T267-Q270 PolarHBondContact O-N 3.28Å; T267-L271 HydrophobicContact CG2-CD1 4.31Å; T267-L271 WeakPolarHBondContact O-CG 3.5Å; T267-L271 PolarHBondContact O-N 2.99Å; T267-L325 HydrophobicContact CG2-CD1 3.88Å; T267-L352 HydrophobicContact CG2-CD2 4.41Å
268I85.8Confident84.5Confident15 Ų1554.7 Ų54.78%0.07726%0.262CS..Hα-helixtrans-56-52.5173.6-68.8168.3000109.9L264 K265 Q270 L271 E272 L325L264-I268 HydrophobicContact CD1-CD1 4.27Å; L264-I268 HydrophobicContact CD1-CG1 4.44Å; L264-I268 HydrophobicContact CG-CD1 4.18Å; L264-I268 WeakPolarHBondContact O-CG1 3.42Å; L264-I268 PolarHBondContact O-N 2.82Å; K265-I268 PolarHBondContact O-N 2.68Å; I268-Q270 VanDerWaalsContact C-N 3.25Å; I268-Q270 PolarHBondContact O-N 2.94Å; I268-L271 PolarHBondContact O-N 2.8Å; I268-E272 HydrophobicContact CG2-CG 4.32Å; I268-E272 WeakPolarHBondContact O-CG 3.44Å; I268-E272 PolarHBondContact O-N 3.11Å; I268-L325 HydrophobicContact CD1-CB 4.09Å; I268-L325 HydrophobicContact CG1-CB 3.72Å; I268-L325 HydrophobicContact CG1-CD1 4.09Å
269K84.9Confident84.9Confident136 Ų13658.8 Ų58.859%0.59128%0.281SS*.Hα-helixtrans-58.6-35178.3-173.5177.5-178.5178.90113.1K265 S266 T267 N273K265-K269 PolarHBondContact O-N 3.35Å; S266-K269 PolarHBondContact O-N 2.97Å; T267-K269 PolarHBondContact O-N 3.02Å; K269-N273 PolarHBondContact O-N 3.46Å; K269-N273 PolarHBondContact O-ND2 3.43Å
270Q81.6Confident85.6Confident115 Ų11562 Ų6254%0.53730%0.301SS..Hα-helixtrans-68.1-45.9174.9-76.9176.8-17.800111.5S266 T267 I268 N273 E274S266-Q270 WeakPolarHBondContact O-CG 3.38Å; S266-Q270 PolarHBondContact O-N 2.78Å; T267-Q270 PolarHBondContact O-N 3.28Å; I268-Q270 VanDerWaalsContact C-N 3.25Å; I268-Q270 PolarHBondContact O-N 2.94Å; Q270-N273 PolarHBondContact O-N 3.22Å; Q270-E274 WeakPolarHBondContact O-CG 3.48Å; Q270-E274 PolarHBondContact O-N 3.21Å
271L85.5Confident86.1Confident10 Ų1063.1 Ų63.15%0.05231%0.305CS..Hα-helixtrans-63.4-42.5178.1-71173.2000112.4T267 I268 N273 E274 E275 K318 Q321 L322 L325T267-L271 HydrophobicContact CG2-CD1 4.31Å; T267-L271 WeakPolarHBondContact O-CG 3.5Å; T267-L271 PolarHBondContact O-N 2.99Å; I268-L271 PolarHBondContact O-N 2.8Å; L271-N273 VanDerWaalsContact C-N 3.31Å; L271-N273 PolarHBondContact O-N 3.31Å; L271-E274 PolarHBondContact O-N 3.25Å; L271-E275 WeakPolarHBondContact O-CB 3.44Å; L271-E275 PolarHBondContact O-N 3.36Å; L271-K318 HydrophobicContact CD2-CD 3.5Å; L271-Q321 HydrophobicContact CD1-CB 4.06Å; L271-L322 HydrophobicContact CB-CD1 4.49Å; L271-L325 HydrophobicContact CD1-CD1 3.5Å; L271-L325 VanDerWaalsContact CD1-CD1 3.5Å
272E89.5Confident86.4Confident86 Ų8663.3 Ų63.340%0.40231%0.306SS..Hα-helixtrans-56.7-43.6174.1-73.3173.3159.700111.9I268 E275 K276 L322I268-E272 HydrophobicContact CG2-CG 4.32Å; I268-E272 WeakPolarHBondContact O-CG 3.44Å; I268-E272 PolarHBondContact O-N 3.11Å; E272-E275 PolarHBondContact O-N 2.98Å; E272-K276 WeakPolarHBondContact O-CB 3.39Å; E272-K276 PolarHBondContact O-N 3.15Å; E272-L322 HydrophobicContact CB-CD1 4.37Å; E272-L322 HydrophobicContact CG-CD1 3.54Å
273N86.6Confident87Confident100 Ų10066.3 Ų66.354%0.53532%0.318SS..Hα-helixtrans-68.1-38.2178.1-76.8-49.2000111.9K269 Q270 L271 R277K269-N273 PolarHBondContact O-N 3.46Å; K269-N273 PolarHBondContact O-ND2 3.43Å; Q270-N273 PolarHBondContact O-N 3.22Å; L271-N273 VanDerWaalsContact C-N 3.31Å; L271-N273 PolarHBondContact O-N 3.31Å; N273-R277 WeakPolarHBondContact O-CB 3.48Å; N273-R277 PolarHBondContact O-N 3.19Å; N273-R277 VanDerWaalsContact O-N 3.1Å
274E83.5Confident87.7Confident73 Ų7368.3 Ų68.334%0.34133%0.328SS..Hα-helixtrans-67.6-41.2175.2-74.3-179178.900112.4Q270 L271 R277 L278 K318Q270-E274 WeakPolarHBondContact O-CG 3.48Å; Q270-E274 PolarHBondContact O-N 3.21Å; L271-E274 PolarHBondContact O-N 3.25Å; E274-R277 WeakPolarHBondContact O-CB 3.38Å; E274-R277 PolarHBondContact O-N 3.42Å; E274-L278 WeakPolarHBondContact O-CB 3.24Å; E274-L278 WeakPolarHBondContact O-CG 3.38Å; E274-L278 PolarHBondContact O-N 3.12Å; E274-K318 WeakPolarHBondContact OE2-CE 3.4Å; E274-K318 IonicContact OE2-NZ 3.45Å; E274-K318 PolarHBondContact OE2-NZ 3.23Å
275E88.8Confident88Confident37 Ų3771 Ų7117%0.17334%0.338CS..Hα-helixtrans-56.2-56.8174.4-173-172.5-17700110L271 E272 R277 L278 E279 L315 Q319L271-E275 WeakPolarHBondContact O-CB 3.44Å; L271-E275 PolarHBondContact O-N 3.36Å; E272-E275 PolarHBondContact O-N 2.98Å; E275-R277 PolarHBondContact O-N 3.39Å; E275-L278 WeakPolarHBondContact O-CB 3.46Å; E275-L278 PolarHBondContact O-N 3.13Å; E275-E279 WeakPolarHBondContact O-CG 3.42Å; E275-E279 PolarHBondContact O-N 3.5Å; E275-L315 HydrophobicContact CB-CD1 4.27Å; E275-L315 HydrophobicContact CG-CD1 3.49Å; E275-L315 VanDerWaalsContact CG-CD1 3.49Å; E275-Q319 HydrophobicContact CG-CG 4.16Å; E275-Q319 WeakPolarHBondContact OE1-CG 3.44Å; E275-Q319 PolarHBondContact OE1-NE2 3.47Å
276K93.4Very high88.3Confident140 Ų14071.4 Ų71.461%0.60934%0.337SS*.Hα-helixtrans-56.1-37.8178.2-174.2175.2-176.7173.80112.8E272 T280E272-K276 WeakPolarHBondContact O-CB 3.39Å; E272-K276 PolarHBondContact O-N 3.15Å; K276-T280 WeakPolarHBondContact O-CB 3.48Å; K276-T280 PolarHBondContact O-N 3.46Å; K276-T280 VanDerWaalsContact O-N 3.16Å; K276-T280 PolarHBondContact O-OG1 2.88Å
277R90.8Very high88.9Confident144 Ų14472.1 Ų72.154%0.54334%0.336SS..Hα-helixtrans-66.8-47175.8-172.2-168.870.485.1-0.4111.1N273 E274 E275 T280 V281N273-R277 WeakPolarHBondContact O-CB 3.48Å; N273-R277 PolarHBondContact O-N 3.19Å; N273-R277 VanDerWaalsContact O-N 3.1Å; E274-R277 WeakPolarHBondContact O-CB 3.38Å; E274-R277 PolarHBondContact O-N 3.42Å; E275-R277 PolarHBondContact O-N 3.39Å; R277-T280 PolarHBondContact O-N 2.96Å; R277-V281 WeakPolarHBondContact O-CG2 3.44Å; R277-V281 PolarHBondContact O-N 3.29Å
278L88.4Confident89.3Confident7 Ų775.5 Ų75.54%0.03735%0.35CS..Hα-helixtrans-62.3-45.6178.7-78.2173.5000111.4E274 E275 T280 V281 I282 L311 L315 K318E274-L278 WeakPolarHBondContact O-CB 3.24Å; E274-L278 WeakPolarHBondContact O-CG 3.38Å; E274-L278 PolarHBondContact O-N 3.12Å; E275-L278 WeakPolarHBondContact O-CB 3.46Å; E275-L278 PolarHBondContact O-N 3.13Å; L278-T280 VanDerWaalsContact C-N 3.31Å; L278-T280 PolarHBondContact O-N 3.3Å; L278-V281 PolarHBondContact O-N 3.45Å; L278-I282 WeakPolarHBondContact O-CB 3.3Å; L278-I282 WeakPolarHBondContact O-CD1 3.48Å; L278-I282 VanDerWaalsContact O-CG1 3.25Å; L278-I282 WeakPolarHBondContact O-CG1 3.44Å; L278-I282 PolarHBondContact O-N 2.99Å; L278-L311 HydrophobicContact CD2-CD2 4.07Å; L278-L315 HydrophobicContact CB-CB 4.43Å; L278-L315 HydrophobicContact CB-CD1 3.97Å; L278-L315 HydrophobicContact CD1-CB 4.39Å; L278-K318 HydrophobicContact CD1-CG 4.26Å
279E93.6Very high89.3Confident88 Ų8874.8 Ų74.841%0.41135%0.346SS..Hα-helixtrans-54.8-47.6174.9-71.5-178.2145.900111.7E275 V281 I282 E283 L315E275-E279 WeakPolarHBondContact O-CG 3.42Å; E275-E279 PolarHBondContact O-N 3.5Å; E279-V281 PolarHBondContact O-N 2.89Å; E279-I282 PolarHBondContact O-N 2.85Å; E279-E283 WeakPolarHBondContact O-CB 3.47Å; E279-E283 PolarHBondContact O-N 3.37Å; E279-L315 HydrophobicContact CG-CD1 3.9Å; E279-L315 HydrophobicContact CG-CD2 3.84Å
280T94Very high89.5Confident71 Ų7173 Ų7344%0.43634%0.339SS..Hα-helixtrans-60.6-45.2178.3-57.90000111.5K276 R277 L278 E283 Q284K276-T280 WeakPolarHBondContact O-CB 3.48Å; K276-T280 PolarHBondContact O-N 3.46Å; K276-T280 VanDerWaalsContact O-N 3.16Å; K276-T280 PolarHBondContact O-OG1 2.88Å; R277-T280 PolarHBondContact O-N 2.96Å; L278-T280 VanDerWaalsContact C-N 3.31Å; L278-T280 PolarHBondContact O-N 3.3Å; T280-E283 PolarHBondContact O-N 3.47Å; T280-Q284 VanDerWaalsContact O-CG 3.29Å; T280-Q284 WeakPolarHBondContact O-CG 3.41Å; T280-Q284 PolarHBondContact O-N 2.99Å
281V91.4Very high89.8Confident36 Ų3670.2 Ų70.222%0.21833%0.332CS..Hα-helixtrans-67.2-41.1179.4173.20000111.4R277 L278 E279 Q284 R285 L311R277-V281 WeakPolarHBondContact O-CG2 3.44Å; R277-V281 PolarHBondContact O-N 3.29Å; L278-V281 PolarHBondContact O-N 3.45Å; E279-V281 PolarHBondContact O-N 2.89Å; V281-Q284 PolarHBondContact O-N 2.67Å; V281-R285 WeakPolarHBondContact O-CG 3.35Å; V281-R285 PolarHBondContact O-N 3.36Å; V281-L311 HydrophobicContact CG1-CD1 3.64Å
282I90.9Very high89.9Confident6 Ų670 Ų703%0.03133%0.33CS..Hα-helixtrans-61.6-46.4177.1-72.1161.9000109.8L278 E279 Q284 R285 R286 T308 L311 E312 L315L278-I282 WeakPolarHBondContact O-CB 3.3Å; L278-I282 WeakPolarHBondContact O-CD1 3.48Å; L278-I282 VanDerWaalsContact O-CG1 3.25Å; L278-I282 WeakPolarHBondContact O-CG1 3.44Å; L278-I282 PolarHBondContact O-N 2.99Å; E279-I282 PolarHBondContact O-N 2.85Å; I282-Q284 PolarHBondContact O-N 3.37Å; I282-R285 PolarHBondContact O-N 2.9Å; I282-R286 HydrophobicContact CG2-CG 4.38Å; I282-R286 WeakPolarHBondContact O-CB 3.18Å; I282-R286 WeakPolarHBondContact O-CG 3.42Å; I282-R286 PolarHBondContact O-N 3.4Å; I282-T308 HydrophobicContact CG2-CG2 4.12Å; I282-L311 HydrophobicContact CD1-CB 4.12Å; I282-L311 HydrophobicContact CG1-CB 3.82Å; I282-L311 HydrophobicContact CG1-CD1 4.43Å; I282-E312 HydrophobicContact CD1-CG 3.98Å; I282-E312 HydrophobicContact CG1-CG 4.26Å; I282-E312 HydrophobicContact CG2-CG 3.96Å; I282-L315 HydrophobicContact CD1-CB 4.01Å; I282-L315 HydrophobicContact CD1-CD2 3.77Å; I282-L315 HydrophobicContact CD1-CG 4.49Å
283E93.8Very high89.6Confident85 Ų8566.9 Ų66.940%0.39732%0.317SS..Hα-helixtrans-63.4-43179.3-175.752.4-146.500111.9E279 T280 R285 R286 N287E279-E283 WeakPolarHBondContact O-CB 3.47Å; E279-E283 PolarHBondContact O-N 3.37Å; T280-E283 PolarHBondContact O-N 3.47Å; E283-R285 PolarHBondContact O-N 3.4Å; E283-R286 PolarHBondContact O-N 2.83Å; E283-N287 PolarHBondContact O-N 3.08Å; E283-N287 PolarHBondContact O-ND2 3.24Å; E283-N287 VanDerWaalsContact O-ND2 3.07Å; E283-N287 PolarHBondContact OE1-ND2 2.94Å; E283-N287 PolarHBondContact OE1-OD1 3.27Å
284Q93Very high89.6Confident122 Ų12266.2 Ų66.257%0.5732%0.32SS*.Hα-helixtrans-59.5-45.7173.8-73.5174.4-1.100112.1T280 V281 I282 N287 H288T280-Q284 VanDerWaalsContact O-CG 3.29Å; T280-Q284 WeakPolarHBondContact O-CG 3.41Å; T280-Q284 PolarHBondContact O-N 2.99Å; V281-Q284 PolarHBondContact O-N 2.67Å; I282-Q284 PolarHBondContact O-N 3.37Å; Q284-N287 PolarHBondContact O-N 3.08Å; Q284-H288 PolarHBondContact O-N 3.43Å
285R88.4Confident89.8Confident62 Ų6267.1 Ų67.123%0.23433%0.327CS..Hα-helixtrans-65.2-41.7177.7-73.7-175.9179.4-171.32.3111.8V281 I282 E283 N287 H288 I289 L304 R307 T308 L311V281-R285 WeakPolarHBondContact O-CG 3.35Å; V281-R285 PolarHBondContact O-N 3.36Å; I282-R285 PolarHBondContact O-N 2.9Å; E283-R285 PolarHBondContact O-N 3.4Å; R285-N287 VanDerWaalsContact C-N 3.3Å; R285-N287 PolarHBondContact O-N 2.91Å; R285-H288 PolarHBondContact O-N 3.45Å; R285-H288 VanDerWaalsContact O-N 3.15Å; R285-I289 VanDerWaalsContact O-CG1 3.26Å; R285-I289 WeakPolarHBondContact O-CG1 3.38Å; R285-I289 PolarHBondContact O-N 2.89Å; R285-L304 HydrophobicContact CG-CD1 4.3Å; R285-R307 PolarHBondContact NH1-O 2.92Å; R285-T308 HydrophobicContact CB-CG2 4.28Å; R285-T308 WeakPolarHBondContact CB-OG1 3.38Å; R285-T308 WeakPolarHBondContact CD-OG1 3.48Å; R285-L311 VanDerWaalsContact CZ-CD1 3.41Å
286R90.4Very high89.7Confident79 Ų7973.9 Ų73.930%0.29836%0.356SS..Hα-helixtrans-60.5-40.4175.2-76.7-178.7177.6167.8-6.6111.6I282 E283 I289 K290 T308 E312I282-R286 HydrophobicContact CG2-CG 4.38Å; I282-R286 WeakPolarHBondContact O-CB 3.18Å; I282-R286 WeakPolarHBondContact O-CG 3.42Å; I282-R286 PolarHBondContact O-N 3.4Å; E283-R286 PolarHBondContact O-N 2.83Å; R286-I289 PolarHBondContact O-N 2.87Å; R286-K290 WeakPolarHBondContact O-CG 3.48Å; R286-K290 PolarHBondContact O-N 2.69Å; R286-T308 HydrophobicContact CG-CG2 4.39Å; R286-E312 IonicContact CZ-OE1 3.39Å; R286-E312 IonicContact NE-OE1 3.55Å; R286-E312 PolarHBondContact NE-OE1 3.45Å; R286-E312 IonicContact NH2-OE1 2.82Å; R286-E312 PolarHBondContact NH2-OE1 3.11Å; R286-E312 IonicContact NH2-OE2 3.4Å
287N91.3Very high89.2Confident73 Ų7372.4 Ų72.439%0.3935%0.346SS..Hα-helixtrans-67.1-36.5174.5-69.6-35.9000112.6E283 Q284 R285 K290 S291E283-N287 PolarHBondContact O-N 3.08Å; E283-N287 PolarHBondContact O-ND2 3.24Å; E283-N287 VanDerWaalsContact O-ND2 3.07Å; E283-N287 PolarHBondContact OE1-ND2 2.94Å; E283-N287 PolarHBondContact OE1-OD1 3.27Å; Q284-N287 PolarHBondContact O-N 3.08Å; R285-N287 VanDerWaalsContact C-N 3.3Å; R285-N287 PolarHBondContact O-N 2.91Å; N287-K290 WeakPolarHBondContact O-CB 3.4Å; N287-K290 PolarHBondContact O-N 3.38Å; N287-K290 PolarHBondContact OD1-NZ 2.93Å; N287-S291 PolarHBondContact O-N 3.37Å; N287-S291 VanDerWaalsContact O-N 3.15Å
288H90Very high88.8Confident100 Ų10069.6 Ų69.646%0.46334%0.342SS..Hα-helixtrans-67-39.4172.5-170.843.9000112.6Q284 R285 K290 S291 L292 L304Q284-H288 PolarHBondContact O-N 3.43Å; R285-H288 PolarHBondContact O-N 3.45Å; R285-H288 VanDerWaalsContact O-N 3.15Å; H288-K290 VanDerWaalsContact C-N 3.33Å; H288-K290 PolarHBondContact O-N 2.69Å; H288-S291 WeakPolarHBondContact O-CB 3.1Å; H288-S291 PolarHBondContact O-N 3.22Å; H288-S291 VanDerWaalsContact O-N 3.15Å; H288-L292 WeakPolarHBondContact O-CG 3.41Å; H288-L292 PolarHBondContact O-N 2.78Å; H288-L304 HydrophobicContact CB-CD2 4.08Å; H288-L304 WeakPolarHBondContact CD2-CD2 3Å
289I85.7Confident88.3Confident0 Ų074.1 Ų74.10%037%0.374CS..Hα-helixtrans-57.6-46.8172.5-67.6164.7000110R285 R286 S291 L292 L293 A301 L304 L305R285-I289 VanDerWaalsContact O-CG1 3.26Å; R285-I289 WeakPolarHBondContact O-CG1 3.38Å; R285-I289 PolarHBondContact O-N 2.89Å; R286-I289 PolarHBondContact O-N 2.87Å; I289-S291 VanDerWaalsContact C-N 3.28Å; I289-S291 PolarHBondContact O-N 2.82Å; I289-L292 PolarHBondContact O-N 3.42Å; I289-L292 VanDerWaalsContact O-N 3.12Å; I289-L293 HydrophobicContact CG2-CD1 3.98Å; I289-L293 HydrophobicContact CG2-CG 4.33Å; I289-L293 VanDerWaalsContact O-CG 3.31Å; I289-L293 WeakPolarHBondContact O-CG 3.46Å; I289-L293 PolarHBondContact O-N 3.43Å; I289-A301 HydrophobicContact CG2-CB 4.4Å; I289-L304 HydrophobicContact CD1-CD2 4.46Å; I289-L304 HydrophobicContact CD1-CG 4.1Å; I289-L304 HydrophobicContact CG1-CB 4.03Å; I289-L304 HydrophobicContact CG1-CD2 3.57Å; I289-L304 HydrophobicContact CG1-CG 3.68Å; I289-L305 HydrophobicContact CD1-CB 4.03Å; I289-L305 HydrophobicContact CD1-CD1 4.07Å
290K88.5Confident87.6Confident100 Ų10074.1 Ų74.144%0.43537%0.374SS..Hα-helixtrans-55.9-41.9175.9-68170.2-165.7162.70112R286 N287 H288 L293 S294R286-K290 WeakPolarHBondContact O-CG 3.48Å; R286-K290 PolarHBondContact O-N 2.69Å; N287-K290 WeakPolarHBondContact O-CB 3.4Å; N287-K290 PolarHBondContact O-N 3.38Å; N287-K290 PolarHBondContact OD1-NZ 2.93Å; H288-K290 VanDerWaalsContact C-N 3.33Å; H288-K290 PolarHBondContact O-N 2.69Å; K290-L293 PolarHBondContact O-N 2.91Å; K290-S294 PolarHBondContact O-N 3.12Å; K290-S294 VanDerWaalsContact O-N 3.08Å
291S88.6Confident87Confident56 Ų5670.8 Ų70.839%0.39235%0.354SS..Hα-helixtrans-66.8-39.9175.8-172.10000113N287 H288 I289 L293 S294 D295N287-S291 PolarHBondContact O-N 3.37Å; N287-S291 VanDerWaalsContact O-N 3.15Å; H288-S291 WeakPolarHBondContact O-CB 3.1Å; H288-S291 PolarHBondContact O-N 3.22Å; H288-S291 VanDerWaalsContact O-N 3.15Å; I289-S291 VanDerWaalsContact C-N 3.28Å; I289-S291 PolarHBondContact O-N 2.82Å; S291-L293 VanDerWaalsContact C-N 3.3Å; S291-L293 PolarHBondContact O-N 2.74Å; S291-S294 WeakPolarHBondContact CA-OG 3.44Å; S291-S294 PolarHBondContact O-N 3.06Å; S291-S294 PolarHBondContact O-OG 3.31Å; S291-D295 VanDerWaalsContact O-CG 3.31Å; S291-D295 PolarHBondContact O-N 3.47Å; S291-D295 VanDerWaalsContact O-N 3.14Å
292L86.9Confident86.5Confident4 Ų471.3 Ų71.32%0.02135%0.353CS..Hα-helixtrans-67-34177.1-69.9172.3000111.9H288 I289 D295 K296 R297 E300 A301 L304H288-L292 WeakPolarHBondContact O-CG 3.41Å; H288-L292 PolarHBondContact O-N 2.78Å; I289-L292 PolarHBondContact O-N 3.42Å; I289-L292 VanDerWaalsContact O-N 3.12Å; L292-D295 PolarHBondContact O-N 2.7Å; L292-K296 PolarHBondContact O-N 2.98Å; L292-R297 HydrophobicContact CB-CB 4.48Å; L292-R297 HydrophobicContact CD2-CB 4.21Å; L292-R297 PolarHBondContact O-N 3.41Å; L292-E300 HydrophobicContact CD1-CB 4.18Å; L292-E300 HydrophobicContact CD2-CB 4.48Å; L292-A301 HydrophobicContact CB-CB 3.97Å; L292-L304 HydrophobicContact CD1-CD2 3.98Å
293L83.7Confident86Confident22 Ų2273.3 Ų73.312%0.11537%0.367CS..Hα-helixtrans-68.8-39174.7-66.9174000111.9I289 K290 S291 D295 K296 A301 L406 F409 L410I289-L293 HydrophobicContact CG2-CD1 3.98Å; I289-L293 HydrophobicContact CG2-CG 4.33Å; I289-L293 VanDerWaalsContact O-CG 3.31Å; I289-L293 WeakPolarHBondContact O-CG 3.46Å; I289-L293 PolarHBondContact O-N 3.43Å; K290-L293 PolarHBondContact O-N 2.91Å; S291-L293 VanDerWaalsContact C-N 3.3Å; S291-L293 PolarHBondContact O-N 2.74Å; L293-D295 PolarHBondContact O-N 2.89Å; L293-K296 PolarHBondContact O-N 3.49Å; L293-A301 HydrophobicContact CD2-CB 3.68Å; L293-A301 HydrophobicContact CG-CB 4.05Å; L293-L406 HydrophobicContact CD1-CD1 4.42Å; L293-L406 HydrophobicContact CD2-CD1 3.93Å; L293-F409 HydrophobicContact CD1-CB 4.17Å; L293-L410 HydrophobicContact CB-CD2 4.28Å; L293-L410 HydrophobicContact CD1-CD2 4.32Å; L293-L410 HydrophobicContact CD2-CD2 4.04Å; L293-L410 HydrophobicContact CG-CD2 4.44Å
294S86.9Confident85.5Confident86 Ų8670.5 Ų70.560%0.60136%0.355SS*.Hα-helixtrans-63.8-31.9172.759.50000112.7K290 S291 K296K290-S294 PolarHBondContact O-N 3.12Å; K290-S294 VanDerWaalsContact O-N 3.08Å; S291-S294 WeakPolarHBondContact CA-OG 3.44Å; S291-S294 PolarHBondContact O-N 3.06Å; S291-S294 PolarHBondContact O-OG 3.31Å; S294-K296 VanDerWaalsContact C-N 3.27Å; S294-K296 PolarHBondContact O-N 2.86Å
295D87.9Confident85Confident92 Ų9264.7 Ų64.749%0.49233%0.328SS..THydrogen-bonded Turntrans-84.34.3178.5-65.5-9.3000113.5S291 L292 L293 R297S291-D295 VanDerWaalsContact O-CG 3.31Å; S291-D295 PolarHBondContact O-N 3.47Å; S291-D295 VanDerWaalsContact O-N 3.14Å; L292-D295 PolarHBondContact O-N 2.7Å; L293-D295 PolarHBondContact O-N 2.89Å; D295-R297 HydrophobicContact CB-CG 4.2Å; D295-R297 PolarHBondContact O-N 2.94Å
296K85.1Confident84.6Confident178 Ų17866.6 Ų66.677%0.77434%0.335SS*.THydrogen-bonded Turntrans6021.2-176.6-54.6179.1179.51780114.4L292 L293 S294 N298L292-K296 PolarHBondContact O-N 2.98Å; L293-K296 PolarHBondContact O-N 3.49Å; S294-K296 VanDerWaalsContact C-N 3.27Å; S294-K296 PolarHBondContact O-N 2.86Å; K296-N298 VanDerWaalsContact C-N 3.27Å; K296-N298 PolarHBondContact O-N 3.08Å; K296-N298 VanDerWaalsContact O-N 3.09Å
297R84.8Confident84.2Confident110 Ų11066.7 Ų66.742%0.41534%0.335SS..  trans-87.359.9178.9-67.6168.268.6-175.23.9111L292 D295 S299 E300 A301L292-R297 HydrophobicContact CB-CB 4.48Å; L292-R297 HydrophobicContact CD2-CB 4.21Å; L292-R297 PolarHBondContact O-N 3.41Å; D295-R297 HydrophobicContact CB-CG 4.2Å; D295-R297 PolarHBondContact O-N 2.94Å; R297-S299 VanDerWaalsContact C-N 3.34Å; R297-S299 PolarHBondContact O-N 3.21Å; R297-E300 HydrophobicContact CB-CB 4.47Å; R297-E300 IonicContact CZ-OE1 3.16Å; R297-E300 VanDerWaalsContact CZ-OE1 3.23Å; R297-E300 IonicContact CZ-OE2 3.23Å; R297-E300 IonicContact NE-OE1 2.95Å; R297-E300 PolarHBondContact NE-OE1 3.46Å; R297-E300 IonicContact NE-OE2 2.65Å; R297-E300 IonicContact NH2-OE1 2.66Å; R297-E300 PolarHBondContact NH2-OE1 2.94Å; R297-E300 IonicContact NH2-OE2 2.93Å; R297-E300 PolarHBondContact NH2-OE2 2.82Å; R297-E300 PolarHBondContact O-N 2.77Å; R297-A301 PolarHBondContact O-N 2.8Å
298N80.6Confident83.8Confident84 Ų8463.2 Ų63.245%0.44932%0.317SS..Hα-helixtrans-61.6-35.8-169.7-65.9-15000114.2K296 A301 K302K296-N298 VanDerWaalsContact C-N 3.27Å; K296-N298 PolarHBondContact O-N 3.08Å; K296-N298 VanDerWaalsContact O-N 3.09Å; N298-A301 PolarHBondContact O-N 3.47Å; N298-K302 WeakPolarHBondContact O-CB 3.38Å; N298-K302 PolarHBondContact O-N 3.07Å
299S79Confident83.5Confident102 Ų10261.8 Ų61.871%0.71331%0.309SS*.Hα-helixtrans-64.3-42.5178.9-173.60000111.8R297 K302 S303R297-S299 VanDerWaalsContact C-N 3.34Å; R297-S299 PolarHBondContact O-N 3.21Å; S299-K302 PolarHBondContact O-N 3.34Å; S299-S303 PolarHBondContact O-N 2.83Å
300E79.6Confident83.3Confident89 Ų8965.4 Ų65.442%0.41633%0.332SS..Hα-helixtrans-71.1-41178.8-63.1-176.1-114.100111.5L292 R297 K302 S303 L304L292-E300 HydrophobicContact CD1-CB 4.18Å; L292-E300 HydrophobicContact CD2-CB 4.48Å; R297-E300 HydrophobicContact CB-CB 4.47Å; R297-E300 IonicContact CZ-OE1 3.16Å; R297-E300 VanDerWaalsContact CZ-OE1 3.23Å; R297-E300 IonicContact CZ-OE2 3.23Å; R297-E300 IonicContact NE-OE1 2.95Å; R297-E300 PolarHBondContact NE-OE1 3.46Å; R297-E300 IonicContact NE-OE2 2.65Å; R297-E300 IonicContact NH2-OE1 2.66Å; R297-E300 PolarHBondContact NH2-OE1 2.94Å; R297-E300 IonicContact NH2-OE2 2.93Å; R297-E300 PolarHBondContact NH2-OE2 2.82Å; R297-E300 PolarHBondContact O-N 2.77Å; E300-K302 VanDerWaalsContact C-N 3.34Å; E300-K302 PolarHBondContact O-N 3.24Å; E300-S303 PolarHBondContact O-N 3.04Å; E300-L304 WeakPolarHBondContact O-CB 3.48Å; E300-L304 PolarHBondContact O-N 2.83Å
301A81.2Confident83Confident0 Ų062.3 Ų62.30%032%0.319CS..Hα-helixtrans-57.9-45.2172.800000111.7I289 L292 L293 R297 N298 L304 L305I289-A301 HydrophobicContact CG2-CB 4.4Å; L292-A301 HydrophobicContact CB-CB 3.97Å; L293-A301 HydrophobicContact CD2-CB 3.68Å; L293-A301 HydrophobicContact CG-CB 4.05Å; R297-A301 PolarHBondContact O-N 2.8Å; N298-A301 PolarHBondContact O-N 3.47Å; A301-L304 PolarHBondContact O-N 3.39Å; A301-L305 WeakPolarHBondContact O-CB 3.41Å; A301-L305 PolarHBondContact O-N 2.76Å
302K80.5Confident82.9Confident47 Ų4761 Ų6120%0.20431%0.307CS..Hα-helixtrans-64.8-41.5177.9-169.3174.5-172.2173.80112.2N298 S299 E300 L305 R306 E403 L406N298-K302 WeakPolarHBondContact O-CB 3.38Å; N298-K302 PolarHBondContact O-N 3.07Å; S299-K302 PolarHBondContact O-N 3.34Å; E300-K302 VanDerWaalsContact C-N 3.34Å; E300-K302 PolarHBondContact O-N 3.24Å; K302-L305 PolarHBondContact O-N 3.08Å; K302-R306 WeakPolarHBondContact O-CG 3.35Å; K302-R306 PolarHBondContact O-N 2.96Å; K302-R306 VanDerWaalsContact O-N 3.08Å; K302-E403 IonicContact NZ-OE1 2.74Å; K302-E403 PolarHBondContact NZ-OE1 3.28Å; K302-L406 HydrophobicContact CB-CD2 4.22Å; K302-L406 HydrophobicContact CG-CD2 4.45Å
303S80.7Confident82.8Confident48 Ų4867 Ų6734%0.33633%0.333SS..Hα-helixtrans-61.9-45.8175.4-177.30000111.5S299 E300 R306 R307S299-S303 PolarHBondContact O-N 2.83Å; E300-S303 PolarHBondContact O-N 3.04Å; S303-R306 PolarHBondContact O-N 3.39Å; S303-R307 WeakPolarHBondContact O-CG 3.3Å; S303-R307 PolarHBondContact O-N 3.17Å
304L82.4Confident82.7Confident26 Ų2666.9 Ų66.914%0.13633%0.334CS..Hα-helixtrans-66.5-41.1178.3-175.259.6000111.8R285 H288 I289 L292 E300 A301 R306 R307 T308R285-L304 HydrophobicContact CG-CD1 4.3Å; H288-L304 HydrophobicContact CB-CD2 4.08Å; H288-L304 WeakPolarHBondContact CD2-CD2 3Å; I289-L304 HydrophobicContact CD1-CD2 4.46Å; I289-L304 HydrophobicContact CD1-CG 4.1Å; I289-L304 HydrophobicContact CG1-CB 4.03Å; I289-L304 HydrophobicContact CG1-CD2 3.57Å; I289-L304 HydrophobicContact CG1-CG 3.68Å; L292-L304 HydrophobicContact CD1-CD2 3.98Å; E300-L304 WeakPolarHBondContact O-CB 3.48Å; E300-L304 PolarHBondContact O-N 2.83Å; A301-L304 PolarHBondContact O-N 3.39Å; L304-R306 PolarHBondContact O-N 3.5Å; L304-R307 PolarHBondContact O-N 3.43Å; L304-R307 VanDerWaalsContact O-N 3.16Å; L304-T308 PolarHBondContact O-N 2.96Å; L304-T308 PolarHBondContact O-OG1 3.38Å
305L82.9Confident82.6Confident1 Ų163.8 Ų63.81%0.00531%0.311CS..Hα-helixtrans-58.5-46.6175.8-178.463000111.6I289 A301 K302 R307 T308 K309 L402 L406I289-L305 HydrophobicContact CD1-CB 4.03Å; I289-L305 HydrophobicContact CD1-CD1 4.07Å; A301-L305 WeakPolarHBondContact O-CB 3.41Å; A301-L305 PolarHBondContact O-N 2.76Å; K302-L305 PolarHBondContact O-N 3.08Å; L305-R307 VanDerWaalsContact C-N 3.29Å; L305-R307 PolarHBondContact O-N 2.99Å; L305-T308 WeakPolarHBondContact O-CB 3.41Å; L305-T308 PolarHBondContact O-N 3.45Å; L305-T308 VanDerWaalsContact O-N 3.08Å; L305-K309 PolarHBondContact O-N 2.94Å; L305-L402 HydrophobicContact CD2-CD2 4.11Å; L305-L402 HydrophobicContact CG-CD2 4.05Å; L305-L406 HydrophobicContact CD2-CB 4.32Å; L305-L406 HydrophobicContact CD2-CD1 4.14Å
306R80.8Confident82.6Confident101 Ų10165.6 Ų65.638%0.38132%0.316SS..Hα-helixtrans-56.2-43.1174.7-74175.9-179174.5-2.6112.2K302 S303 L304 K309 V310 M399 L402K302-R306 WeakPolarHBondContact O-CG 3.35Å; K302-R306 PolarHBondContact O-N 2.96Å; K302-R306 VanDerWaalsContact O-N 3.08Å; S303-R306 PolarHBondContact O-N 3.39Å; L304-R306 PolarHBondContact O-N 3.5Å; R306-K309 PolarHBondContact O-N 3.38Å; R306-V310 PolarHBondContact O-N 3.02Å; R306-M399 VanDerWaalsContact CZ-CE 3.46Å; R306-L402 HydrophobicContact CG-CD1 3.89Å; R306-L402 HydrophobicContact CG-CD2 3.76Å; R306-L402 HydrophobicContact CG-CG 4.46Å
307R81.9Confident82.5Confident81 Ų8161.3 Ų61.331%0.30630%0.299SS..Hα-helixtrans-69.2-33.5177.2-66.1175.3-174177.50.4112.4R285 S303 L304 L305R285-R307 PolarHBondContact NH1-O 2.92Å; S303-R307 WeakPolarHBondContact O-CG 3.3Å; S303-R307 PolarHBondContact O-N 3.17Å; L304-R307 PolarHBondContact O-N 3.43Å; L304-R307 VanDerWaalsContact O-N 3.16Å; L305-R307 VanDerWaalsContact C-N 3.29Å; L305-R307 PolarHBondContact O-N 2.99Å
308T82.1Confident82.4Confident0 Ų057.2 Ų57.20%028%0.284CS..Hα-helixtrans-69.5-39.1175.2-57.30000111.1I282 R285 R286 L304 L305 V310 L311 E312I282-T308 HydrophobicContact CG2-CG2 4.12Å; R285-T308 HydrophobicContact CB-CG2 4.28Å; R285-T308 WeakPolarHBondContact CB-OG1 3.38Å; R285-T308 WeakPolarHBondContact CD-OG1 3.48Å; R286-T308 HydrophobicContact CG-CG2 4.39Å; L304-T308 PolarHBondContact O-N 2.96Å; L304-T308 PolarHBondContact O-OG1 3.38Å; L305-T308 WeakPolarHBondContact O-CB 3.41Å; L305-T308 PolarHBondContact O-N 3.45Å; L305-T308 VanDerWaalsContact O-N 3.08Å; T308-V310 VanDerWaalsContact C-N 3.26Å; T308-V310 PolarHBondContact O-N 3.22Å; T308-L311 CarbonylContact O-C 3.56Å; T308-L311 WeakPolarHBondContact O-CA 3.41Å; T308-L311 WeakPolarHBondContact O-CB 3.48Å; T308-L311 PolarHBondContact O-N 2.93Å; T308-E312 HydrophobicContact CG2-CG 4.37Å; T308-E312 WeakPolarHBondContact O-CG 3.2Å; T308-E312 PolarHBondContact O-N 3.38Å
309K83.7Confident82.8Confident70 Ų7056.2 Ų56.230%0.30428%0.277SS..Hα-helixtrans-58-36.4175.4-81-72.3174.3-150.50114L305 R306 L311 E312 K313 L402 E405L305-K309 PolarHBondContact O-N 2.94Å; R306-K309 PolarHBondContact O-N 3.38Å; K309-L311 VanDerWaalsContact C-N 3.32Å; K309-E312 WeakPolarHBondContact CD-OE2 3.43Å; K309-E312 WeakPolarHBondContact CE-OE2 3.45Å; K309-E312 IonicContact NZ-OE2 3.92Å; K309-E312 PolarHBondContact NZ-OE2 2.78Å; K309-E312 PolarHBondContact O-N 3.03Å; K309-K313 WeakPolarHBondContact O-CB 3.27Å; K309-K313 PolarHBondContact O-N 3.01Å; K309-L402 HydrophobicContact CG-CD2 4.28Å; K309-E405 WeakPolarHBondContact CE-OE1 3.44Å; K309-E405 WeakPolarHBondContact CE-OE2 3.22Å; K309-E405 VanDerWaalsContact NZ-CD 3.33Å; K309-E405 IonicContact NZ-OE1 2.75Å; K309-E405 PolarHBondContact NZ-OE1 3.08Å; K309-E405 IonicContact NZ-OE2 3.71Å; K309-E405 PolarHBondContact NZ-OE2 2.98Å
310V81.2Confident83.2Confident77 Ų7756.2 Ų56.247%0.46727%0.268SS..Hα-helixtrans-62.7-40.6173177.80000111.2R306 T308 S314 M369R306-V310 PolarHBondContact O-N 3.02Å; T308-V310 VanDerWaalsContact C-N 3.26Å; T308-V310 PolarHBondContact O-N 3.22Å; V310-S314 WeakPolarHBondContact O-CB 3.46Å; V310-S314 PolarHBondContact O-N 2.95Å; V310-M369 HydrophobicContact CG1-CE 4.44Å
311L82.2Confident83.3Confident34 Ų3452.6 Ų52.618%0.17825%0.251CS..Hα-helixtrans-68.6-39.4175.1-63.9-176.6000112.3L278 V281 I282 R285 T308 K309 S314 L315L278-L311 HydrophobicContact CD2-CD2 4.07Å; V281-L311 HydrophobicContact CG1-CD1 3.64Å; I282-L311 HydrophobicContact CD1-CB 4.12Å; I282-L311 HydrophobicContact CG1-CB 3.82Å; I282-L311 HydrophobicContact CG1-CD1 4.43Å; R285-L311 VanDerWaalsContact CZ-CD1 3.41Å; T308-L311 CarbonylContact O-C 3.56Å; T308-L311 WeakPolarHBondContact O-CA 3.41Å; T308-L311 WeakPolarHBondContact O-CB 3.48Å; T308-L311 PolarHBondContact O-N 2.93Å; K309-L311 VanDerWaalsContact C-N 3.32Å; L311-S314 CarbonylContact O-C 3.58Å; L311-S314 WeakPolarHBondContact O-CB 3.2Å; L311-S314 PolarHBondContact O-N 3.13Å; L311-L315 WeakPolarHBondContact O-CB 3.37Å; L311-L315 PolarHBondContact O-N 3.48Å
312E85.9Confident83.6Confident28 Ų2853.2 Ų53.213%0.13126%0.255CS..Hα-helixtrans-62.3-44.2176.7-69.6173.5-175.300111.3I282 R286 T308 K309 S314 L315 E316I282-E312 HydrophobicContact CD1-CG 3.98Å; I282-E312 HydrophobicContact CG1-CG 4.26Å; I282-E312 HydrophobicContact CG2-CG 3.96Å; R286-E312 IonicContact CZ-OE1 3.39Å; R286-E312 IonicContact NE-OE1 3.55Å; R286-E312 PolarHBondContact NE-OE1 3.45Å; R286-E312 IonicContact NH2-OE1 2.82Å; R286-E312 PolarHBondContact NH2-OE1 3.11Å; R286-E312 IonicContact NH2-OE2 3.4Å; T308-E312 HydrophobicContact CG2-CG 4.37Å; T308-E312 WeakPolarHBondContact O-CG 3.2Å; T308-E312 PolarHBondContact O-N 3.38Å; K309-E312 WeakPolarHBondContact CD-OE2 3.43Å; K309-E312 WeakPolarHBondContact CE-OE2 3.45Å; K309-E312 IonicContact NZ-OE2 3.92Å; K309-E312 PolarHBondContact NZ-OE2 2.78Å; K309-E312 PolarHBondContact O-N 3.03Å; E312-S314 VanDerWaalsContact C-N 3.29Å; E312-S314 PolarHBondContact O-N 3.48Å; E312-L315 WeakPolarHBondContact O-CB 3.39Å; E312-L315 PolarHBondContact O-N 3.36Å; E312-E316 PolarHBondContact O-N 2.95Å
313K84.9Confident84Confident130 Ų13055 Ų5557%0.56527%0.267SS*.Hα-helixtrans-62.3-37.5173-174.1172.5-175.7168.60112K309 Q317K309-K313 WeakPolarHBondContact O-CB 3.27Å; K309-K313 PolarHBondContact O-N 3.01Å; K313-Q317 VanDerWaalsContact O-CG 3.3Å; K313-Q317 WeakPolarHBondContact O-CG 3.45Å; K313-Q317 PolarHBondContact O-N 2.96Å; K313-Q317 VanDerWaalsContact O-N 3.08Å
314S81.8Confident84.3Confident20 Ų2056.2 Ų56.214%0.1427%0.269CS..Hα-helixtrans-66.1-40.5174.3-179.90000111.8V310 L311 E312 Q317 K318V310-S314 WeakPolarHBondContact O-CB 3.46Å; V310-S314 PolarHBondContact O-N 2.95Å; L311-S314 CarbonylContact O-C 3.58Å; L311-S314 WeakPolarHBondContact O-CB 3.2Å; L311-S314 PolarHBondContact O-N 3.13Å; E312-S314 VanDerWaalsContact C-N 3.29Å; E312-S314 PolarHBondContact O-N 3.48Å; S314-Q317 PolarHBondContact O-N 3.07Å; S314-K318 WeakPolarHBondContact O-CG 3.36Å; S314-K318 PolarHBondContact O-N 3.47Å
315L86.5Confident84.5Confident22 Ų2255 Ų5512%0.11526%0.263CS..Hα-helixtrans-61.5-47.7175.2177.667.5000111.1E275 L278 E279 I282 L311 E312 Q317 K318 Q319E275-L315 HydrophobicContact CB-CD1 4.27Å; E275-L315 HydrophobicContact CG-CD1 3.49Å; E275-L315 VanDerWaalsContact CG-CD1 3.49Å; L278-L315 HydrophobicContact CB-CB 4.43Å; L278-L315 HydrophobicContact CB-CD1 3.97Å; L278-L315 HydrophobicContact CD1-CB 4.39Å; E279-L315 HydrophobicContact CG-CD1 3.9Å; E279-L315 HydrophobicContact CG-CD2 3.84Å; I282-L315 HydrophobicContact CD1-CB 4.01Å; I282-L315 HydrophobicContact CD1-CD2 3.77Å; I282-L315 HydrophobicContact CD1-CG 4.49Å; L311-L315 WeakPolarHBondContact O-CB 3.37Å; L311-L315 PolarHBondContact O-N 3.48Å; E312-L315 WeakPolarHBondContact O-CB 3.39Å; E312-L315 PolarHBondContact O-N 3.36Å; L315-Q317 VanDerWaalsContact C-N 3.32Å; L315-Q317 PolarHBondContact O-N 2.6Å; L315-K318 WeakPolarHBondContact O-CB 3.23Å; L315-K318 PolarHBondContact O-N 2.6Å; L315-K318 VanDerWaalsContact O-N 3.07Å; L315-Q319 WeakPolarHBondContact O-CG 3.17Å; L315-Q319 PolarHBondContact O-N 3.47Å
316E87.2Confident84.7Confident130 Ų13058.6 Ų58.661%0.60728%0.28SS*.Hα-helixtrans-58.3-42.9176.9-175.9-175.7-172.300111.8E312 K318 Q319 L320E312-E316 PolarHBondContact O-N 2.95Å; E316-K318 VanDerWaalsContact C-N 3.33Å; E316-K318 PolarHBondContact O-N 3.22Å; E316-Q319 PolarHBondContact O-N 3.06Å; E316-L320 WeakPolarHBondContact O-CB 3.49Å; E316-L320 PolarHBondContact O-N 3.26Å
317Q82.1Confident85Confident88 Ų8857.5 Ų57.541%0.41128%0.284SS..Hα-helixtrans-62.8-39175-74.1176-6.400112.5K313 S314 L315 Q321K313-Q317 VanDerWaalsContact O-CG 3.3Å; K313-Q317 WeakPolarHBondContact O-CG 3.45Å; K313-Q317 PolarHBondContact O-N 2.96Å; K313-Q317 VanDerWaalsContact O-N 3.08Å; S314-Q317 PolarHBondContact O-N 3.07Å; L315-Q317 VanDerWaalsContact C-N 3.32Å; L315-Q317 PolarHBondContact O-N 2.6Å; Q317-Q321 VanDerWaalsContact O-CG 3.29Å; Q317-Q321 WeakPolarHBondContact O-CG 3.4Å; Q317-Q321 PolarHBondContact O-N 3.17Å
318K82.7Confident85Confident23 Ų2354.8 Ų54.810%0.128%0.275CS..Hα-helixtrans-69.3-40.9177.9-67.7-77.2177.1168.90111.6L271 E274 L278 S314 L315 E316 Q321 L322L271-K318 HydrophobicContact CD2-CD 3.5Å; E274-K318 WeakPolarHBondContact OE2-CE 3.4Å; E274-K318 IonicContact OE2-NZ 3.45Å; E274-K318 PolarHBondContact OE2-NZ 3.23Å; L278-K318 HydrophobicContact CD1-CG 4.26Å; S314-K318 WeakPolarHBondContact O-CG 3.36Å; S314-K318 PolarHBondContact O-N 3.47Å; L315-K318 WeakPolarHBondContact O-CB 3.23Å; L315-K318 PolarHBondContact O-N 2.6Å; L315-K318 VanDerWaalsContact O-N 3.07Å; E316-K318 VanDerWaalsContact C-N 3.33Å; E316-K318 PolarHBondContact O-N 3.22Å; K318-Q321 WeakPolarHBondContact O-CB 3.35Å; K318-Q321 PolarHBondContact O-N 3.17Å; K318-L322 WeakPolarHBondContact O-CB 3.48Å; K318-L322 PolarHBondContact O-N 3.38Å
319Q89.2Confident85.1Confident63 Ų6356.3 Ų56.329%0.29428%0.283SS..Hα-helixtrans-61.4-43.5173.5-76.5174.1-23.600111.8E275 L315 E316 Q321 L322 N323E275-Q319 HydrophobicContact CG-CG 4.16Å; E275-Q319 WeakPolarHBondContact OE1-CG 3.44Å; E275-Q319 PolarHBondContact OE1-NE2 3.47Å; L315-Q319 WeakPolarHBondContact O-CG 3.17Å; L315-Q319 PolarHBondContact O-N 3.47Å; E316-Q319 PolarHBondContact O-N 3.06Å; Q319-Q321 VanDerWaalsContact C-N 3.33Å; Q319-Q321 PolarHBondContact O-N 3.42Å; Q319-L322 PolarHBondContact O-N 2.83Å; Q319-N323 WeakPolarHBondContact O-CB 3.46Å; Q319-N323 VanDerWaalsContact O-CG 3.26Å; Q319-N323 PolarHBondContact O-N 3.02Å; Q319-N323 PolarHBondContact O-ND2 3.1Å
320L87.6Confident85.2Confident103 Ų10358 Ų5854%0.53930%0.295SS..Hα-helixtrans-61.6-41.5174-177.364.4000111.8E316 N324E316-L320 WeakPolarHBondContact O-CB 3.49Å; E316-L320 PolarHBondContact O-N 3.26Å; L320-N324 WeakPolarHBondContact O-CB 3.38Å; L320-N324 PolarHBondContact O-N 3.23Å; L320-N324 VanDerWaalsContact O-N 3.09Å; L320-N324 PolarHBondContact O-ND2 2.83Å; L320-N324 VanDerWaalsContact O-ND2 3.13Å
321Q82.4Confident85.3Confident12 Ų1258 Ų586%0.05629%0.292CS..Hα-helixtrans-61.6-46174.8-74.8170.220.500111.7L271 Q317 K318 Q319 N324 L325 A355L271-Q321 HydrophobicContact CD1-CB 4.06Å; Q317-Q321 VanDerWaalsContact O-CG 3.29Å; Q317-Q321 WeakPolarHBondContact O-CG 3.4Å; Q317-Q321 PolarHBondContact O-N 3.17Å; K318-Q321 WeakPolarHBondContact O-CB 3.35Å; K318-Q321 PolarHBondContact O-N 3.17Å; Q319-Q321 VanDerWaalsContact C-N 3.33Å; Q319-Q321 PolarHBondContact O-N 3.42Å; Q321-N324 WeakPolarHBondContact O-CB 3.27Å; Q321-N324 PolarHBondContact O-N 3.24Å; Q321-L325 WeakPolarHBondContact O-CG 3.29Å; Q321-L325 PolarHBondContact O-N 3.21Å; Q321-A355 HydrophobicContact CG-CB 3.84Å; Q321-A355 PolarHBondContact NE2-O 3.13Å; Q321-A355 VanDerWaalsContact NE2-O 3.11Å
322L87.8Confident85.5Confident13 Ų1356.5 Ų56.57%0.06828%0.284CS..Hα-helixtrans-60.8-51.2179.5-175147.8000111.1L271 E272 K318 Q319 N324 L325 E326L271-L322 HydrophobicContact CB-CD1 4.49Å; E272-L322 HydrophobicContact CB-CD1 4.37Å; E272-L322 HydrophobicContact CG-CD1 3.54Å; K318-L322 WeakPolarHBondContact O-CB 3.48Å; K318-L322 PolarHBondContact O-N 3.38Å; Q319-L322 PolarHBondContact O-N 2.83Å; L322-N324 VanDerWaalsContact C-N 3.26Å; L322-N324 PolarHBondContact O-N 3.34Å; L322-L325 PolarHBondContact O-N 2.81Å; L322-E326 HydrophobicContact CD2-CG 4.09Å; L322-E326 WeakPolarHBondContact CD2-OE1 3.32Å; L322-E326 WeakPolarHBondContact CD2-OE2 3.35Å; L322-E326 WeakPolarHBondContact O-CG 3.41Å; L322-E326 PolarHBondContact O-N 2.93Å
323N88.6Confident85.1Confident86 Ų8660.2 Ų60.246%0.4630%0.301SS..Hα-helixtrans-55.4-41.1176.2-70.9-22.9000112.3Q319 T327Q319-N323 WeakPolarHBondContact O-CB 3.46Å; Q319-N323 VanDerWaalsContact O-CG 3.26Å; Q319-N323 PolarHBondContact O-N 3.02Å; Q319-N323 PolarHBondContact O-ND2 3.1Å; N323-T327 WeakPolarHBondContact O-CB 3.33Å; N323-T327 PolarHBondContact O-N 2.72Å; N323-T327 PolarHBondContact O-OG1 3.16Å
324N85.7Confident85Confident72 Ų7258.1 Ų58.139%0.38530%0.303SS..Hα-helixtrans-64.7-44.1176.9-71.8-23.7000111.6L320 Q321 L322 T327 M328L320-N324 WeakPolarHBondContact O-CB 3.38Å; L320-N324 PolarHBondContact O-N 3.23Å; L320-N324 VanDerWaalsContact O-N 3.09Å; L320-N324 PolarHBondContact O-ND2 2.83Å; L320-N324 VanDerWaalsContact O-ND2 3.13Å; Q321-N324 WeakPolarHBondContact O-CB 3.27Å; Q321-N324 PolarHBondContact O-N 3.24Å; L322-N324 VanDerWaalsContact C-N 3.26Å; L322-N324 PolarHBondContact O-N 3.34Å; N324-T327 PolarHBondContact O-N 3.4Å; N324-M328 HydrophobicContact CB-CE 3.89Å; N324-M328 WeakPolarHBondContact O-CE 3.27Å; N324-M328 WeakPolarHBondContact O-CG 3.23Å; N324-M328 PolarHBondContact O-N 3.45Å
325L86.7Confident85Confident2 Ų257.7 Ų57.71%0.0130%0.301CS..Hα-helixtrans-69.4-36.3179.6-65.8177.8000112.7L264 T267 I268 L271 Q321 L322 M328 L329 V348 L352L264-L325 HydrophobicContact CD1-CB 3.87Å; L264-L325 HydrophobicContact CD1-CD1 4.32Å; L264-L325 HydrophobicContact CD1-CD2 3.47Å; L264-L325 VanDerWaalsContact CD1-CD2 3.47Å; L264-L325 HydrophobicContact CD1-CG 4.06Å; T267-L325 HydrophobicContact CG2-CD1 3.88Å; I268-L325 HydrophobicContact CD1-CB 4.09Å; I268-L325 HydrophobicContact CG1-CB 3.72Å; I268-L325 HydrophobicContact CG1-CD1 4.09Å; L271-L325 HydrophobicContact CD1-CD1 3.5Å; L271-L325 VanDerWaalsContact CD1-CD1 3.5Å; Q321-L325 WeakPolarHBondContact O-CG 3.29Å; Q321-L325 PolarHBondContact O-N 3.21Å; L322-L325 PolarHBondContact O-N 2.81Å; L325-M328 HydrophobicContact CD2-CE 4.18Å; L325-M328 PolarHBondContact O-N 2.97Å; L325-L329 PolarHBondContact O-N 3.45Å; L325-V348 HydrophobicContact CD2-CG1 4Å; L325-L352 HydrophobicContact CD1-CD2 4.08Å; L325-L352 HydrophobicContact CD2-CD1 4.2Å; L325-L352 HydrophobicContact CD2-CD2 3.69Å; L325-L352 HydrophobicContact CD2-CG 3.91Å; L325-L352 HydrophobicContact CG-CD2 4.32Å
326E87Confident84.5Confident76 Ų7660.5 Ų60.536%0.35532%0.319SS..Hα-helixtrans-65.8-44.3173.8-71-178.4150.700111.7L322 M328 L329 I330L322-E326 HydrophobicContact CD2-CG 4.09Å; L322-E326 WeakPolarHBondContact CD2-OE1 3.32Å; L322-E326 WeakPolarHBondContact CD2-OE2 3.35Å; L322-E326 WeakPolarHBondContact O-CG 3.41Å; L322-E326 PolarHBondContact O-N 2.93Å; E326-M328 VanDerWaalsContact C-N 3.26Å; E326-M328 PolarHBondContact O-N 3.15Å; E326-L329 WeakPolarHBondContact O-CB 3.32Å; E326-L329 PolarHBondContact O-N 3.47Å; E326-L329 VanDerWaalsContact O-N 3.07Å; E326-I330 WeakPolarHBondContact O-CG1 3.49Å; E326-I330 PolarHBondContact O-N 3.07Å; E326-I330 VanDerWaalsContact O-N 3.08Å
327T87Confident84Confident77 Ų7759.7 Ų59.747%0.47232%0.315SS..Hα-helixtrans-57.5-43.1173.4-56.50000110.7N323 N324 L329 I330 D331N323-T327 WeakPolarHBondContact O-CB 3.33Å; N323-T327 PolarHBondContact O-N 2.72Å; N323-T327 PolarHBondContact O-OG1 3.16Å; N324-T327 PolarHBondContact O-N 3.4Å; T327-L329 VanDerWaalsContact C-N 3.33Å; T327-L329 PolarHBondContact O-N 2.84Å; T327-I330 WeakPolarHBondContact O-CB 3.45Å; T327-I330 PolarHBondContact O-N 3.31Å; T327-D331 PolarHBondContact O-N 3.48Å
328M83.6Confident84Confident24 Ų2457.3 Ų57.312%0.11831%0.305CS..Hα-helixtrans-68.2-29.9177.1-74-177.8-97.500113.1N324 L325 E326 I330 D331 I332 V348 A351N324-M328 HydrophobicContact CB-CE 3.89Å; N324-M328 WeakPolarHBondContact O-CE 3.27Å; N324-M328 WeakPolarHBondContact O-CG 3.23Å; N324-M328 PolarHBondContact O-N 3.45Å; L325-M328 HydrophobicContact CD2-CE 4.18Å; L325-M328 PolarHBondContact O-N 2.97Å; E326-M328 VanDerWaalsContact C-N 3.26Å; E326-M328 PolarHBondContact O-N 3.15Å; M328-I330 VanDerWaalsContact C-N 3.35Å; M328-D331 PolarHBondContact O-N 3.35Å; M328-I332 VanDerWaalsContact O-CG1 3.31Å; M328-I332 WeakPolarHBondContact O-CG1 3.47Å; M328-I332 PolarHBondContact O-N 2.95Å; M328-V348 HydrophobicContact CB-CG2 3.92Å; M328-V348 HydrophobicContact CG-CG2 4.11Å; M328-V348 HydrophobicContact SD-CB 4Å; M328-V348 HydrophobicContact SD-CG2 3.29Å; M328-V348 WeakPolarHBondContact SD-CG2 3.21Å; M328-A351 HydrophobicContact CE-CB 4.14Å
329L84.1Confident83.9Confident32 Ų3263.9 Ų63.917%0.16833%0.329CS..Hα-helixtrans-64.4-42.2172.2-175.266.8000110.7L264 K265 L325 E326 T327 D331 I332 E333L264-L329 HydrophobicContact CD2-CD1 4.41Å; K265-L329 HydrophobicContact CG-CD1 4.45Å; L325-L329 PolarHBondContact O-N 3.45Å; E326-L329 WeakPolarHBondContact O-CB 3.32Å; E326-L329 PolarHBondContact O-N 3.47Å; E326-L329 VanDerWaalsContact O-N 3.07Å; T327-L329 VanDerWaalsContact C-N 3.33Å; T327-L329 PolarHBondContact O-N 2.84Å; L329-D331 VanDerWaalsContact C-N 3.33Å; L329-D331 PolarHBondContact O-N 3.21Å; L329-I332 WeakPolarHBondContact O-CB 3.47Å; L329-I332 PolarHBondContact O-N 3.26Å; L329-E333 WeakPolarHBondContact O-CG 3.24Å; L329-E333 PolarHBondContact O-N 3.43Å
330I84.4Confident83.6Confident106 Ų10664 Ų6454%0.54433%0.332SS..Hα-helixtrans-61.6-42.6173.6-62.4166.8000110.6E326 T327 M328 I332 E333 S334E326-I330 WeakPolarHBondContact O-CG1 3.49Å; E326-I330 PolarHBondContact O-N 3.07Å; E326-I330 VanDerWaalsContact O-N 3.08Å; T327-I330 WeakPolarHBondContact O-CB 3.45Å; T327-I330 PolarHBondContact O-N 3.31Å; M328-I330 VanDerWaalsContact C-N 3.35Å; I330-I332 VanDerWaalsContact C-N 3.32Å; I330-I332 PolarHBondContact O-N 3.04Å; I330-E333 PolarHBondContact O-N 3.22Å; I330-S334 PolarHBondContact O-N 3.3Å
331D84.4Confident83.5Confident76 Ų7659 Ų5941%0.40631%0.306SS..Hα-helixtrans-61.2-40.9176-70.2-24.4000111.7T327 M328 L329 S334 A335 V344T327-D331 PolarHBondContact O-N 3.48Å; M328-D331 PolarHBondContact O-N 3.35Å; L329-D331 VanDerWaalsContact C-N 3.33Å; L329-D331 PolarHBondContact O-N 3.21Å; D331-S334 PolarHBondContact O-N 3.38Å; D331-S334 PolarHBondContact O-OG 3.25Å; D331-A335 WeakPolarHBondContact O-CB 3.38Å; D331-A335 PolarHBondContact O-N 2.96Å; D331-V344 HydrophobicContact CB-CG1 4.22Å
332I84.9Confident83.4Confident4 Ų459.7 Ų59.72%0.02131%0.311CS..Hα-helixtrans-64.1-42.1174.9-72.5167.9000111.4I261 L264 M328 L329 I330 S334 A335 I341 V344 L345I261-I332 HydrophobicContact CD1-CG2 3.9Å; I261-I332 HydrophobicContact CG1-CD1 4.41Å; I261-I332 HydrophobicContact CG1-CG2 3.97Å; L264-I332 HydrophobicContact CD2-CD1 3.57Å; M328-I332 VanDerWaalsContact O-CG1 3.31Å; M328-I332 WeakPolarHBondContact O-CG1 3.47Å; M328-I332 PolarHBondContact O-N 2.95Å; L329-I332 WeakPolarHBondContact O-CB 3.47Å; L329-I332 PolarHBondContact O-N 3.26Å; I330-I332 VanDerWaalsContact C-N 3.32Å; I330-I332 PolarHBondContact O-N 3.04Å; I332-S334 PolarHBondContact O-N 3.5Å; I332-A335 WeakPolarHBondContact O-CB 3.49Å; I332-A335 PolarHBondContact O-N 3.32Å; I332-A335 VanDerWaalsContact O-N 3.16Å; I332-I341 HydrophobicContact CG1-CG2 4.41Å; I332-I341 HydrophobicContact CG2-CG1 4.31Å; I332-I341 HydrophobicContact CG2-CG2 3.91Å; I332-V344 HydrophobicContact CD1-CG1 4.39Å; I332-V344 HydrophobicContact CG1-CB 4.21Å; I332-V344 HydrophobicContact CG1-CG1 3.72Å; I332-L345 HydrophobicContact CD1-CD2 3.65Å; I332-L345 HydrophobicContact CD1-CG 4.07Å
333E79.3Confident83.2Confident106 Ų10663.8 Ų63.850%0.49533%0.332SS..Hα-helixtrans-64.1-33.2177-73.1172.4-179.600111.7L329 I330L329-E333 WeakPolarHBondContact O-CG 3.24Å; L329-E333 PolarHBondContact O-N 3.43Å; I330-E333 PolarHBondContact O-N 3.22Å
334S81.3Confident82.9Confident86 Ų8661.1 Ų61.160%0.60132%0.319SS*.Hα-helixtrans-76.6-22.3174.583.60000113.8I330 D331 I332 T336I330-S334 PolarHBondContact O-N 3.3Å; D331-S334 PolarHBondContact O-N 3.38Å; D331-S334 PolarHBondContact O-OG 3.25Å; I332-S334 PolarHBondContact O-N 3.5Å; S334-T336 PolarHBondContact O-N 3.35Å
335A83.1Confident82.8Confident11 Ų1158.2 Ų58.29%0.09130%0.303CS..  trans-73.2111-176.600000111.1P178 D331 I332 N340 I341P178-A335 WeakPolarHBondContact CG-O 3.18Å; D331-A335 WeakPolarHBondContact O-CB 3.38Å; D331-A335 PolarHBondContact O-N 2.96Å; I332-A335 WeakPolarHBondContact O-CB 3.49Å; I332-A335 PolarHBondContact O-N 3.32Å; I332-A335 VanDerWaalsContact O-N 3.16Å; A335-N340 HydrophobicContact CB-CB 4.18Å; A335-I341 HydrophobicContact CB-CG1 3.74Å
336T74.4Confident82.5Confident80 Ų8062.3 Ų62.349%0.49133%0.325SS..  trans-70.3-34.1-176.354.10000113.7H179 S334H179-T336 PolarHBondContact CD2-O 3.05Å; H179-T336 PolarHBondContact NE2-O 3.45Å; H179-T336 VanDerWaalsContact NE2-O 3.08Å; S334-T336 PolarHBondContact O-N 3.35Å
337E78.2Confident82.1Confident114 Ų11461.9 Ų61.953%0.53333%0.33SS..SBendtrans-106.4137.8-176.7-65-177.8-17100112R339 N340 I341E337-R339 PolarHBondContact O-N 2.84Å; E337-N340 WeakPolarHBondContact O-CA 3.4Å; E337-N340 WeakPolarHBondContact O-CB 3.39Å; E337-N340 PolarHBondContact O-N 3.26Å; E337-I341 PolarHBondContact O-N 3.16Å
338N80.7Confident81.3Confident37 Ų3758.4 Ų58.420%0.19831%0.309CS..Hα-helixtrans-54.2-30.5175.3-64.3-9.4000112.7I253 I341 V342I253-N338 HydrophobicContact CG2-CB 3.89Å; N338-I341 WeakPolarHBondContact O-CB 3.28Å; N338-I341 PolarHBondContact O-N 2.93Å; N338-V342 WeakPolarHBondContact O-CG2 3.39Å; N338-V342 PolarHBondContact O-N 2.7Å
339R82.5Confident80.7Confident162 Ų16260.5 Ų60.561%0.61132%0.321SS*.Hα-helixtrans-65.1-43175.1-170.6-178.2-177.792.41.8111.5E337 I341 V342 L343E337-R339 PolarHBondContact O-N 2.84Å; R339-I341 VanDerWaalsContact C-N 3.32Å; R339-V342 PolarHBondContact O-N 3.33Å; R339-L343 WeakPolarHBondContact O-CG 3.45Å; R339-L343 PolarHBondContact O-N 3.38Å
340N82.9Confident80.2Confident64 Ų6463.6 Ų63.634%0.34234%0.335SS..Hα-helixtrans-65.6-39.3176.5-64.5-19.9000110.3A335 E337 V342 L343 V344A335-N340 HydrophobicContact CB-CB 4.18Å; E337-N340 WeakPolarHBondContact O-CA 3.4Å; E337-N340 WeakPolarHBondContact O-CB 3.39Å; E337-N340 PolarHBondContact O-N 3.26Å; N340-V342 PolarHBondContact O-N 3.39Å; N340-L343 WeakPolarHBondContact O-CB 3.23Å; N340-L343 PolarHBondContact O-N 2.9Å; N340-L343 VanDerWaalsContact O-N 3.11Å; N340-V344 WeakPolarHBondContact O-CG2 3.47Å; N340-V344 PolarHBondContact O-N 3.1Å
341I83.4Confident79.5Confident0 Ų060.3 Ų60.30%032%0.323CS..Hα-helixtrans-57.1-48.2172.9-62174.2000111.2L177 P178 A257 I261 I332 A335 E337 N338 R339 L343 V344 L345L177-I341 HydrophobicContact CD2-CD1 3.89Å; P178-I341 HydrophobicContact CG-CD1 4.34Å; A257-I341 HydrophobicContact CB-CB 4.28Å; A257-I341 HydrophobicContact CB-CG2 3.82Å; I261-I341 HydrophobicContact CD1-CG2 3.93Å; I261-I341 HydrophobicContact CG1-CG2 4.23Å; I332-I341 HydrophobicContact CG1-CG2 4.41Å; I332-I341 HydrophobicContact CG2-CG1 4.31Å; I332-I341 HydrophobicContact CG2-CG2 3.91Å; A335-I341 HydrophobicContact CB-CG1 3.74Å; E337-I341 PolarHBondContact O-N 3.16Å; N338-I341 WeakPolarHBondContact O-CB 3.28Å; N338-I341 PolarHBondContact O-N 2.93Å; R339-I341 VanDerWaalsContact C-N 3.32Å; I341-L343 VanDerWaalsContact C-N 3.28Å; I341-L343 PolarHBondContact O-N 2.93Å; I341-V344 PolarHBondContact O-N 2.93Å; I341-L345 HydrophobicContact CG2-CD1 3.78Å; I341-L345 HydrophobicContact CG2-CG 4.3Å; I341-L345 WeakPolarHBondContact O-CB 3.48Å; I341-L345 VanDerWaalsContact O-CG 3.26Å; I341-L345 WeakPolarHBondContact O-CG 3.47Å; I341-L345 PolarHBondContact O-N 3.41Å
342V82.1Confident78.6Confident25 Ų2558.2 Ų58.215%0.15231%0.312CS..Hα-helixtrans-61.7-36.3176.7173.20000111.9I253 A257 N338 R339 N340 L345 N346I253-V342 HydrophobicContact CG2-CG2 4.16Å; A257-V342 HydrophobicContact CB-CG2 4.02Å; N338-V342 WeakPolarHBondContact O-CG2 3.39Å; N338-V342 PolarHBondContact O-N 2.7Å; R339-V342 PolarHBondContact O-N 3.33Å; N340-V342 PolarHBondContact O-N 3.39Å; V342-L345 PolarHBondContact O-N 2.98Å; V342-N346 VanDerWaalsContact O-CG 3.26Å; V342-N346 PolarHBondContact O-N 2.88Å; V342-N346 PolarHBondContact O-ND2 3.13Å; V342-N346 VanDerWaalsContact O-ND2 3.17Å
343L83.7Confident77.8Confident100 Ų10065.9 Ų65.952%0.52434%0.34SS..Hα-helixtrans-65.4-45175.3-68.1173.2000111.8R339 N340 I341 L345 N346 S347R339-L343 WeakPolarHBondContact O-CG 3.45Å; R339-L343 PolarHBondContact O-N 3.38Å; N340-L343 WeakPolarHBondContact O-CB 3.23Å; N340-L343 PolarHBondContact O-N 2.9Å; N340-L343 VanDerWaalsContact O-N 3.11Å; I341-L343 VanDerWaalsContact C-N 3.28Å; I341-L343 PolarHBondContact O-N 2.93Å; L343-L345 VanDerWaalsContact C-N 3.33Å; L343-L345 PolarHBondContact O-N 3.46Å; L343-N346 PolarHBondContact O-N 3.31Å; L343-S347 PolarHBondContact O-N 3.28Å; L343-S347 VanDerWaalsContact O-N 3.1Å; L343-S347 PolarHBondContact O-OG 2.86Å
344V81Confident77.3Confident30 Ų3068.1 Ų68.118%0.18235%0.351CS..Hα-helixtrans-60.8-43.7174.5176.70000110.3D331 I332 N340 I341 N346 S347 V348D331-V344 HydrophobicContact CB-CG1 4.22Å; I332-V344 HydrophobicContact CD1-CG1 4.39Å; I332-V344 HydrophobicContact CG1-CB 4.21Å; I332-V344 HydrophobicContact CG1-CG1 3.72Å; N340-V344 WeakPolarHBondContact O-CG2 3.47Å; N340-V344 PolarHBondContact O-N 3.1Å; I341-V344 PolarHBondContact O-N 2.93Å; V344-N346 VanDerWaalsContact C-N 3.33Å; V344-N346 PolarHBondContact O-N 3.22Å; V344-S347 WeakPolarHBondContact CA-OG 3.37Å; V344-S347 CarbonylContact O-C 3.59Å; V344-S347 PolarHBondContact O-N 3.4Å; V344-S347 VanDerWaalsContact O-N 3.14Å; V344-S347 PolarHBondContact O-OG 2.87Å; V344-V348 VanDerWaalsContact O-CG2 3.31Å; V344-V348 WeakPolarHBondContact O-CG2 3.43Å; V344-V348 PolarHBondContact O-N 3.06Å
345L83Confident76.1Confident11 Ų1166.2 Ų66.26%0.05834%0.341CS..Hα-helixtrans-64-33176-71.7166.6000113.6G260 I261 I332 I341 V342 L343 V348 N349G260-L345 VanDerWaalsContact C-CD2 3.48Å; I261-L345 HydrophobicContact CG1-CD1 4.42Å; I332-L345 HydrophobicContact CD1-CD2 3.65Å; I332-L345 HydrophobicContact CD1-CG 4.07Å; I341-L345 HydrophobicContact CG2-CD1 3.78Å; I341-L345 HydrophobicContact CG2-CG 4.3Å; I341-L345 WeakPolarHBondContact O-CB 3.48Å; I341-L345 VanDerWaalsContact O-CG 3.26Å; I341-L345 WeakPolarHBondContact O-CG 3.47Å; I341-L345 PolarHBondContact O-N 3.41Å; V342-L345 PolarHBondContact O-N 2.98Å; L343-L345 VanDerWaalsContact C-N 3.33Å; L343-L345 PolarHBondContact O-N 3.46Å; L345-V348 WeakPolarHBondContact O-CB 3.31Å; L345-V348 PolarHBondContact O-N 3.48Å; L345-N349 PolarHBondContact O-N 2.91Å
346N81.4Confident74.7Confident87 Ų8768.8 Ų68.847%0.46536%0.355SS..Hα-helixtrans-68.2-39.6173.3-73.7-33.7000111.2V342 L343 V344 V348 N349 E350V342-N346 VanDerWaalsContact O-CG 3.26Å; V342-N346 PolarHBondContact O-N 2.88Å; V342-N346 PolarHBondContact O-ND2 3.13Å; V342-N346 VanDerWaalsContact O-ND2 3.17Å; L343-N346 PolarHBondContact O-N 3.31Å; V344-N346 VanDerWaalsContact C-N 3.33Å; V344-N346 PolarHBondContact O-N 3.22Å; N346-V348 VanDerWaalsContact C-N 3.3Å; N346-V348 PolarHBondContact O-N 3.42Å; N346-N349 PolarHBondContact O-N 3.36Å; N346-E350 PolarHBondContact O-N 3.47Å; N346-E350 VanDerWaalsContact O-N 3.11Å
347S78.2Confident73.5Confident67 Ų6766.9 Ų66.947%0.46935%0.351SS..Hα-helixtrans-64.6-33.6170.348.70000112.7L343 V344 E350 A351L343-S347 PolarHBondContact O-N 3.28Å; L343-S347 VanDerWaalsContact O-N 3.1Å; L343-S347 PolarHBondContact O-OG 2.86Å; V344-S347 WeakPolarHBondContact CA-OG 3.37Å; V344-S347 CarbonylContact O-C 3.59Å; V344-S347 PolarHBondContact O-N 3.4Å; V344-S347 VanDerWaalsContact O-N 3.14Å; V344-S347 PolarHBondContact O-OG 2.87Å; S347-E350 PolarHBondContact O-N 2.83Å; S347-A351 VanDerWaalsContact O-CB 3.28Å; S347-A351 WeakPolarHBondContact O-CB 3.35Å; S347-A351 PolarHBondContact O-N 3.03Å
348V70.3Confident71.8Confident5 Ų563 Ų633%0.0334%0.342CS..Hα-helixtrans-59.5-49.1171.71710000110.2L264 L325 M328 V344 L345 N346 E350 A351 L352L264-V348 HydrophobicContact CD1-CG1 4.05Å; L325-V348 HydrophobicContact CD2-CG1 4Å; M328-V348 HydrophobicContact CB-CG2 3.92Å; M328-V348 HydrophobicContact CG-CG2 4.11Å; M328-V348 HydrophobicContact SD-CB 4Å; M328-V348 HydrophobicContact SD-CG2 3.29Å; M328-V348 WeakPolarHBondContact SD-CG2 3.21Å; V344-V348 VanDerWaalsContact O-CG2 3.31Å; V344-V348 WeakPolarHBondContact O-CG2 3.43Å; V344-V348 PolarHBondContact O-N 3.06Å; L345-V348 WeakPolarHBondContact O-CB 3.31Å; L345-V348 PolarHBondContact O-N 3.48Å; N346-V348 VanDerWaalsContact C-N 3.3Å; N346-V348 PolarHBondContact O-N 3.42Å; V348-E350 VanDerWaalsContact C-N 3.3Å; V348-E350 PolarHBondContact O-N 3.49Å; V348-A351 PolarHBondContact O-N 3.08Å; V348-L352 HydrophobicContact CG1-CD1 3.69Å; V348-L352 HydrophobicContact CG1-CG 4.14Å; V348-L352 VanDerWaalsContact O-CB 3.28Å; V348-L352 WeakPolarHBondContact O-CB 3.33Å; V348-L352 WeakPolarHBondContact O-CG 3.29Å; V348-L352 PolarHBondContact O-N 3.5Å
349N72.1Confident70.1Confident68 Ų6866.4 Ų66.436%0.36437%0.368SS..Hα-helixtrans-60.9-39.4179.6-85.4-33.3000112.2L345 N346 R353L345-N349 PolarHBondContact O-N 2.91Å; N346-N349 PolarHBondContact O-N 3.36Å; N349-R353 WeakPolarHBondContact O-CB 3.25Å; N349-R353 WeakPolarHBondContact O-CD 3.24Å; N349-R353 WeakPolarHBondContact O-CG 3.44Å; N349-R353 PolarHBondContact O-N 3.13Å
350E73.5Confident68Low97 Ų9763.3 Ų63.345%0.45336%0.364SS..Hα-helixtrans-69.5-42.4174.9-70.1-6013600112.3N346 S347 V348 R353 Q354N346-E350 PolarHBondContact O-N 3.47Å; N346-E350 VanDerWaalsContact O-N 3.11Å; S347-E350 PolarHBondContact O-N 2.83Å; V348-E350 VanDerWaalsContact C-N 3.3Å; V348-E350 PolarHBondContact O-N 3.49Å; E350-R353 WeakPolarHBondContact O-CB 3.46Å; E350-R353 PolarHBondContact O-N 2.76Å; E350-R353 IonicContact OE1-NH1 2.64Å; E350-Q354 WeakPolarHBondContact O-CG 3.23Å; E350-Q354 PolarHBondContact O-N 3.31Å
351A68.8Low66.1Low37 Ų3763 Ų6331%0.30637%0.37SS..Hα-helixtrans-64.7-43.3176.700000111.9M328 S347 V348 Q354 A355M328-A351 HydrophobicContact CE-CB 4.14Å; S347-A351 VanDerWaalsContact O-CB 3.28Å; S347-A351 WeakPolarHBondContact O-CB 3.35Å; S347-A351 PolarHBondContact O-N 3.03Å; V348-A351 PolarHBondContact O-N 3.08Å; A351-Q354 PolarHBondContact O-N 3.06Å; A351-A355 VanDerWaalsContact O-CB 3.28Å; A351-A355 WeakPolarHBondContact O-CB 3.33Å; A351-A355 PolarHBondContact O-N 3.11Å
352L66.2Low64Low32 Ų3265.1 Ų65.117%0.16838%0.382CS..Hα-helixtrans-60.8-44.1172.8-79.3174.3000111T267 L325 V348 Q354 A355 V356T267-L352 HydrophobicContact CG2-CD2 4.41Å; L325-L352 HydrophobicContact CD1-CD2 4.08Å; L325-L352 HydrophobicContact CD2-CD1 4.2Å; L325-L352 HydrophobicContact CD2-CD2 3.69Å; L325-L352 HydrophobicContact CD2-CG 3.91Å; L325-L352 HydrophobicContact CG-CD2 4.32Å; V348-L352 HydrophobicContact CG1-CD1 3.69Å; V348-L352 HydrophobicContact CG1-CG 4.14Å; V348-L352 VanDerWaalsContact O-CB 3.28Å; V348-L352 WeakPolarHBondContact O-CB 3.33Å; V348-L352 WeakPolarHBondContact O-CG 3.29Å; V348-L352 PolarHBondContact O-N 3.5Å; L352-Q354 VanDerWaalsContact C-N 3.29Å; L352-Q354 PolarHBondContact O-N 3.11Å; L352-A355 PolarHBondContact O-N 3.08Å; L352-V356 WeakPolarHBondContact O-CB 3.41Å; L352-V356 WeakPolarHBondContact O-CG2 3.37Å; L352-V356 PolarHBondContact O-N 3.47Å
353R67.6Low62.3Low164 Ų16468 Ų6862%0.61940%0.403SS*.Hα-helixtrans-59.6-40.7175.8-80.2170.1172.9-154.2-3.6112.2N349 E350 G357 G358N349-R353 WeakPolarHBondContact O-CB 3.25Å; N349-R353 WeakPolarHBondContact O-CD 3.24Å; N349-R353 WeakPolarHBondContact O-CG 3.44Å; N349-R353 PolarHBondContact O-N 3.13Å; E350-R353 WeakPolarHBondContact O-CB 3.46Å; E350-R353 PolarHBondContact O-N 2.76Å; E350-R353 IonicContact OE1-NH1 2.64Å; R353-G357 PolarHBondContact O-N 3.17Å; R353-G358 PolarHBondContact O-N 3.44Å
354Q68Low60.8Low154 Ų15469.4 Ų69.472%0.7241%0.405SS*.Hα-helixtrans-70.3-44.8177.2-70.1176.220.600111.7E350 A351 L352 G357E350-Q354 WeakPolarHBondContact O-CG 3.23Å; E350-Q354 PolarHBondContact O-N 3.31Å; A351-Q354 PolarHBondContact O-N 3.06Å; L352-Q354 VanDerWaalsContact C-N 3.29Å; L352-Q354 PolarHBondContact O-N 3.11Å; Q354-G357 PolarHBondContact O-N 3.03Å
355A56.2Low59.2Low46 Ų4669.9 Ų69.938%0.3841%0.412SS..Hα-helixtrans-72.8-32.7-176.700000113.5Q321 A351 L352 G357Q321-A355 HydrophobicContact CG-CB 3.84Å; Q321-A355 PolarHBondContact NE2-O 3.13Å; Q321-A355 VanDerWaalsContact NE2-O 3.11Å; A351-A355 VanDerWaalsContact O-CB 3.28Å; A351-A355 WeakPolarHBondContact O-CB 3.33Å; A351-A355 PolarHBondContact O-N 3.11Å; L352-A355 PolarHBondContact O-N 3.08Å; A355-G357 VanDerWaalsContact C-N 3.28Å
356V54.2Low57.3Low64 Ų6473.7 Ų73.739%0.38843%0.429SS..THydrogen-bonded Turntrans-83.2-5.5175.7-178.90000111.7L352L352-V356 WeakPolarHBondContact O-CB 3.41Å; L352-V356 WeakPolarHBondContact O-CG2 3.37Å; L352-V356 PolarHBondContact O-N 3.47Å
357G50Low56.1Low40 Ų4071 Ų7141%0.41242%0.423SS..THydrogen-bonded Turntrans7626.6175.600000114.4R353 Q354 A355 A361R353-G357 PolarHBondContact O-N 3.17Å; Q354-G357 PolarHBondContact O-N 3.03Å; A355-G357 VanDerWaalsContact C-N 3.28Å; G357-A361 WeakPolarHBondContact O-CB 3.4Å
358G43Very low55.1Low33 Ų3372 Ų7234%0.3443%0.426SS..Hα-helixtrans65.6160.3-168.400000111.7R353 N360 A361R353-G358 PolarHBondContact O-N 3.44Å; G358-N360 PolarHBondContact O-N 3.32Å; G358-A361 PolarHBondContact O-N 2.69Å
359S43.3Very low54Low108 Ų10875.7 Ų75.776%0.75544%0.443SS*.Hα-helixtrans-56.9-1.5-172.7580000116.5
360N40Very low52.9Low98 Ų9877.3 Ų77.352%0.52445%0.452SS..Hα-helixtrans-124.4-13.6-170.2-71.4-32.7000115.2G358 K364G358-N360 PolarHBondContact O-N 3.32Å; N360-K364 VanDerWaalsContact O-CB 3.22Å; N360-K364 WeakPolarHBondContact O-CB 3.32Å; N360-K364 VanDerWaalsContact O-CD 3.28Å; N360-K364 WeakPolarHBondContact O-CD 3.19Å; N360-K364 WeakPolarHBondContact O-CG 3.43Å
361A43Very low52.1Low57 Ų5777.8 Ų77.847%0.47146%0.458SS..Hα-helixtrans-88.9-47.3-169.600000114G357 G358 A365G357-A361 WeakPolarHBondContact O-CB 3.4Å; G358-A361 PolarHBondContact O-N 2.69Å; A361-A365 WeakPolarHBondContact O-CB 3.04Å; A361-A365 PolarHBondContact O-N 2.75Å
362L39.1Very low51.5Low45 Ų4578.5 Ų78.524%0.23646%0.458CS..Hα-helixtrans-83-41.3-175.6-167.764.1000112.8K364 A365 E366L362-K364 VanDerWaalsContact C-N 3.34Å; L362-K364 PolarHBondContact O-N 3.03Å; L362-A365 CarbonylContact O-C 3.56Å; L362-A365 WeakPolarHBondContact O-CB 3.43Å; L362-A365 PolarHBondContact O-N 3.29Å; L362-A365 VanDerWaalsContact O-N 3.08Å; L362-E366 WeakPolarHBondContact O-CG 3.22Å; L362-E366 PolarHBondContact O-N 2.91Å
363S46.4Very low50.7Low85 Ų8579 Ų7959%0.59446%0.46SS*.Hα-helixtrans-66.4-33.2176.7-179.40000112.8G367S363-G367 PolarHBondContact O-N 2.67Å
364K50.6Low50.1Low130 Ų13076.1 Ų76.157%0.56546%0.457SS*.Hα-helixtrans-70.6-35.6169.7-74.2-175.3-178.5174.50111.9N360 L362 V368N360-K364 VanDerWaalsContact O-CB 3.22Å; N360-K364 WeakPolarHBondContact O-CB 3.32Å; N360-K364 VanDerWaalsContact O-CD 3.28Å; N360-K364 WeakPolarHBondContact O-CD 3.19Å; N360-K364 WeakPolarHBondContact O-CG 3.43Å; L362-K364 VanDerWaalsContact C-N 3.34Å; L362-K364 PolarHBondContact O-N 3.03Å; K364-V368 WeakPolarHBondContact O-CB 3.14Å; K364-V368 WeakPolarHBondContact O-CG2 3.26Å; K364-V368 PolarHBondContact O-N 3.28Å
365A48.8Very low49.3Very low40 Ų4078.2 Ų78.233%0.33146%0.458SS..Hα-helixtrans-67.1-41.9175.700000111.6A361 L362 M369A361-A365 WeakPolarHBondContact O-CB 3.04Å; A361-A365 PolarHBondContact O-N 2.75Å; L362-A365 CarbonylContact O-C 3.56Å; L362-A365 WeakPolarHBondContact O-CB 3.43Å; L362-A365 PolarHBondContact O-N 3.29Å; L362-A365 VanDerWaalsContact O-N 3.08Å; A365-M369 WeakPolarHBondContact O-CB 3.45Å; A365-M369 PolarHBondContact O-N 2.87Å
366E43.1Very low49Very low90 Ų9078.8 Ų78.842%0.42145%0.454SS..Hα-helixtrans-70.2-41.5176.7-71.7178.7161.100112.8L362 M369 N370L362-E366 WeakPolarHBondContact O-CG 3.22Å; L362-E366 PolarHBondContact O-N 2.91Å; E366-M369 PolarHBondContact O-N 3.37Å; E366-N370 WeakPolarHBondContact O-CB 3.37Å; E366-N370 PolarHBondContact O-N 2.83Å; E366-N370 PolarHBondContact O-ND2 2.84Å
367G56.6Low48.7Very low32 Ų3283.5 Ų83.533%0.3347%0.472SS..Hα-helixtrans-63.7-44.8174.800000112.2S363 M369 N370 D371S363-G367 PolarHBondContact O-N 2.67Å; G367-M369 VanDerWaalsContact C-N 3.34Å; G367-M369 PolarHBondContact O-N 3.41Å; G367-N370 PolarHBondContact O-N 3.48Å; G367-D371 WeakPolarHBondContact O-CB 3.44Å; G367-D371 PolarHBondContact O-N 2.93Å
368V55.8Low48.8Very low88 Ų8890 Ų9053%0.53349%0.492SS..Hα-helixtrans-66.5-36.5174.5173.20000111K364 V372K364-V368 WeakPolarHBondContact O-CB 3.14Å; K364-V368 WeakPolarHBondContact O-CG2 3.26Å; K364-V368 PolarHBondContact O-N 3.28Å; V368-V372 HydrophobicContact CG1-CG2 4.21Å; V368-V372 WeakPolarHBondContact O-CB 3.46Å; V368-V372 WeakPolarHBondContact O-CG2 3.37Å; V368-V372 PolarHBondContact O-N 3.37Å
369M47.7Very low48.7Very low82 Ų8291.1 Ų91.140%0.40449%0.494SS..Hα-helixtrans-68.3-40.3177.9-168.290.9179.100112.1V310 A365 E366 G367 V372 M373V310-M369 HydrophobicContact CG1-CE 4.44Å; A365-M369 WeakPolarHBondContact O-CB 3.45Å; A365-M369 PolarHBondContact O-N 2.87Å; E366-M369 PolarHBondContact O-N 3.37Å; G367-M369 VanDerWaalsContact C-N 3.34Å; G367-M369 PolarHBondContact O-N 3.41Å; M369-V372 PolarHBondContact O-N 3.32Å; M369-M373 VanDerWaalsContact O-CB 3.31Å; M369-M373 WeakPolarHBondContact O-CB 3.14Å; M369-M373 WeakPolarHBondContact O-CG 3.44Å; M369-M373 PolarHBondContact O-N 3.18Å
370N49.8Very low48.7Very low102 Ų10295.5 Ų95.555%0.54550%0.503SS..Hα-helixtrans-68.5-45.2175.5-74.8-25.1000111.5E366 G367 V372 M373 D374E366-N370 WeakPolarHBondContact O-CB 3.37Å; E366-N370 PolarHBondContact O-N 2.83Å; E366-N370 PolarHBondContact O-ND2 2.84Å; G367-N370 PolarHBondContact O-N 3.48Å; N370-V372 VanDerWaalsContact C-N 3.26Å; N370-V372 PolarHBondContact O-N 2.95Å; N370-M373 PolarHBondContact O-N 3.35Å; N370-M373 VanDerWaalsContact O-N 3.1Å; N370-D374 PolarHBondContact O-N 3.34Å
371D56Low49Very low106 Ų10698.8 Ų98.857%0.56752%0.515SS*.Hα-helixtrans-61.3-35.1175.4-79.4-7.7000112.3G367 R375G367-D371 WeakPolarHBondContact O-CB 3.44Å; G367-D371 PolarHBondContact O-N 2.93Å; D371-R375 WeakPolarHBondContact O-CB 3.36Å; D371-R375 VanDerWaalsContact O-CG 3.29Å; D371-R375 WeakPolarHBondContact O-CG 3.4Å; D371-R375 PolarHBondContact O-N 2.9Å
372V55.4Low49Very low52 Ų5299.7 Ų99.732%0.31551%0.511SS..Hα-helixtrans-74-36.8175.1168.90000111.1V368 M369 N370 I376V368-V372 HydrophobicContact CG1-CG2 4.21Å; V368-V372 WeakPolarHBondContact O-CB 3.46Å; V368-V372 WeakPolarHBondContact O-CG2 3.37Å; V368-V372 PolarHBondContact O-N 3.37Å; M369-V372 PolarHBondContact O-N 3.32Å; N370-V372 VanDerWaalsContact C-N 3.26Å; N370-V372 PolarHBondContact O-N 2.95Å; V372-I376 HydrophobicContact CG1-CD1 3.6Å; V372-I376 HydrophobicContact CG1-CG1 4.37Å; V372-I376 WeakPolarHBondContact O-CB 3.46Å; V372-I376 WeakPolarHBondContact O-CD1 3.49Å; V372-I376 WeakPolarHBondContact O-CG1 3.46Å; V372-I376 PolarHBondContact O-N 3.16Å
373M50.9Low49.2Very low42 Ų42102.1 Ų102.121%0.20753%0.532CS..Hα-helixtrans-68.1-40.9176.7-76.1-80.5-72.200112M369 N370 I376 Q377M369-M373 VanDerWaalsContact O-CB 3.31Å; M369-M373 WeakPolarHBondContact O-CB 3.14Å; M369-M373 WeakPolarHBondContact O-CG 3.44Å; M369-M373 PolarHBondContact O-N 3.18Å; N370-M373 PolarHBondContact O-N 3.35Å; N370-M373 VanDerWaalsContact O-N 3.1Å; M373-I376 PolarHBondContact O-N 3.11Å; M373-Q377 PolarHBondContact O-N 2.9Å
374D54.3Low49.4Very low104 Ų104104.4 Ų104.456%0.55654%0.537SS*.Hα-helixtrans-64.5-42.8175.6-74.1-12.5000111N370 I376 Q377 E378N370-D374 PolarHBondContact O-N 3.34Å; D374-I376 VanDerWaalsContact C-N 3.34Å; D374-I376 PolarHBondContact O-N 3.5Å; D374-Q377 PolarHBondContact O-N 3.46Å; D374-E378 PolarHBondContact O-N 3.45Å
375R52Low49.3Very low199 Ų199103.2 Ų103.275%0.75154%0.541SS*.Hα-helixtrans-70.2-26.5176.6-72.4-174.4-178.4-151.31.8114.4D371 Q377D371-R375 WeakPolarHBondContact O-CB 3.36Å; D371-R375 VanDerWaalsContact O-CG 3.29Å; D371-R375 WeakPolarHBondContact O-CG 3.4Å; D371-R375 PolarHBondContact O-N 2.9Å; R375-Q377 VanDerWaalsContact C-N 3.35Å
376I49.5Very low49.3Very low57 Ų57105.5 Ų105.529%0.29255%0.55SS.*Hα-helixtrans-76-26.3173-74.4168.8000111.1V372 M373 D374 I382V372-I376 HydrophobicContact CG1-CD1 3.6Å; V372-I376 HydrophobicContact CG1-CG1 4.37Å; V372-I376 WeakPolarHBondContact O-CB 3.46Å; V372-I376 WeakPolarHBondContact O-CD1 3.49Å; V372-I376 WeakPolarHBondContact O-CG1 3.46Å; V372-I376 PolarHBondContact O-N 3.16Å; M373-I376 PolarHBondContact O-N 3.11Å; D374-I376 VanDerWaalsContact C-N 3.34Å; D374-I376 PolarHBondContact O-N 3.5Å; I376-I382 HydrophobicContact CG2-CD1 3.91Å; I376-I382 WeakPolarHBondContact O-CD1 3.27Å
377Q48.5Very low49.5Very low163 Ų163104.1 Ų104.176%0.76255%0.551SS**Hα-helixtrans-82.5-23.1178.6-152.9156.4-31.900112.4M373 D374 R375M373-Q377 PolarHBondContact O-N 2.9Å; D374-Q377 PolarHBondContact O-N 3.46Å; R375-Q377 VanDerWaalsContact C-N 3.35Å
378E52Low48.9Very low176 Ų176106.6 Ų106.682%0.82256%0.563SS**Hα-helixtrans-92.2-13.4-177.8-146.1169.8-153.900114.4D374D374-E378 PolarHBondContact O-N 3.45Å
379S40.5Very low48.3Very low57 Ų57108.3 Ų108.340%0.39956%0.563SS.*  trans-118.7112.5177.3-176.60000111.7E381 I382S379-E381 PolarHBondContact O-N 3.12Å; S379-I382 WeakPolarHBondContact O-CD1 3.35Å; S379-I382 VanDerWaalsContact O-CG1 3.25Å; S379-I382 WeakPolarHBondContact O-CG1 3.21Å
380Q42.8Very low48Very low200 Ų200107 Ų10794%0.93557%0.571SS**SBendtrans-74.710.7174.2-83.9178.2-20.800114
381E46.3Very low47.8Very low167 Ų167112.2 Ų112.278%0.7858%0.583SS**  trans-117.977-175.7-67.1-175.4176.100111.4S379S379-E381 PolarHBondContact O-N 3.12Å
382I43.9Very low46.8Very low77 Ų77111.1 Ų111.140%0.39558%0.58SS.*  trans-119.656.8-169.1-53.2158.7000111I376 S379 V386I376-I382 HydrophobicContact CG2-CD1 3.91Å; I376-I382 WeakPolarHBondContact O-CD1 3.27Å; S379-I382 WeakPolarHBondContact O-CD1 3.35Å; S379-I382 VanDerWaalsContact O-CG1 3.25Å; S379-I382 WeakPolarHBondContact O-CG1 3.21Å; I382-V386 HydrophobicContact CG2-CG2 3.2Å
383S43.5Very low46Very low95 Ų95113.7 Ų113.766%0.66460%0.6SS**SBendtrans-106.2-38.2168.6-158.20000112.4
384D50Low45.4Very low133 Ų133119.7 Ų119.771%0.71163%0.626SS**Hα-helixtrans-93.8-23.3-172.6-67.1-22000114.3S387D384-S387 PolarHBondContact O-OG 2.79Å; D384-S387 VanDerWaalsContact O-OG 3.12Å
385V47.6Very low44.5Very low106 Ų106118.8 Ų118.864%0.64264%0.641SS**Hα-helixtrans-79.6-28.2179.1-175.40000111.9S388 F389V385-S388 PolarHBondContact O-N 3.34Å; V385-F389 PolarHBondContact O-N 3.17Å
386V48.5Very low43.9Very low87 Ų87113.9 Ų113.953%0.52763%0.629SS.*Hα-helixtrans-72.5-36.6179.9175.10000112.3I382 S388 G390I382-V386 HydrophobicContact CG2-CG2 3.2Å; V386-S388 VanDerWaalsContact C-N 3.33Å; V386-G390 PolarHBondContact O-N 3.43Å
387S47.5Very low43.8Very low62 Ų62120.1 Ų120.143%0.43466%0.657SS.*Hα-helixtrans-76.9-22.6179.2540000112.7D384D384-S387 PolarHBondContact O-OG 2.79Å; D384-S387 VanDerWaalsContact O-OG 3.12Å
388S44.8Very low43.8Very low83 Ų83118.1 Ų118.158%0.5865%0.652SS**Hα-helixtrans-78.3-39.5173.7-1800000112.7V385 V386V385-S388 PolarHBondContact O-N 3.34Å; V386-S388 VanDerWaalsContact C-N 3.33Å
389F43.4Very low43.6Very low124 Ų124112.6 Ų112.654%0.54463%0.626SS.*Hα-helixtrans-85.2-24.9-174.5-165.150000113.7V385 R391 T392V385-F389 PolarHBondContact O-N 3.17Å; F389-R391 PolarHBondContact O-N 3.37Å; F389-T392 PolarHBondContact O-N 3.02Å
390G42Very low44.3Very low54 Ų54113.9 Ų113.956%0.55764%0.635SS**THydrogen-bonded Turntrans-66-1.1178.200000116.2V386V386-G390 PolarHBondContact O-N 3.43Å
391R43.8Very low45.2Very low212 Ų212108.3 Ų108.380%0.861%0.612SS**THydrogen-bonded Turntrans-115.4-7.8179.9-88.4-176.9-85.9-138.2-3.6114.8F389F389-R391 PolarHBondContact O-N 3.37Å
392T36.2Very low45.7Very low84 Ų84101.1 Ų101.152%0.51558%0.579SS.*SBendtrans-125.4109.6-174.355.70000110.1F389F389-T392 PolarHBondContact O-N 3.02Å
393S37.2Very low46.4Very low105 Ų105102.7 Ų102.773%0.73459%0.585SS**SBendtrans7660.2157.9-150.30000116.8
394F38.6Very low47.6Very low168 Ų168104 Ų10474%0.73758%0.58SS**SBendtrans-165.3137.5139.5-89.3-71.4000105.9L396F394-L396 PolarHBondContact O-N 2.84Å
395G35.3Very low48.2Very low85 Ų8599.5 Ų99.588%0.87656%0.555SS**  trans-65.976.1-175.500000113.2E397G395-E397 VanDerWaalsContact C-N 3.25Å; G395-E397 PolarHBondContact O-N 3.45Å
396L41.2Very low49Very low96 Ų9695.2 Ų95.250%0.50353%0.529SS..  trans-89.143.9179.8-68.1172.9000111.4F394 D398 M399F394-L396 PolarHBondContact O-N 2.84Å; L396-D398 VanDerWaalsContact C-N 3.27Å; L396-M399 HydrophobicContact CB-CG 3.76Å; L396-M399 HydrophobicContact CB-SD 4.41Å; L396-M399 HydrophobicContact CD2-CG 4.38Å; L396-M399 HydrophobicContact CD2-SD 3.98Å; L396-M399 WeakPolarHBondContact O-CG 3.39Å
397E46.2Very low50Low188 Ų18895.6 Ų95.688%0.87953%0.527SS*.THydrogen-bonded Turntrans-75.4-15.8172.6-75.3-177.9159.600112.4G395 M399G395-E397 VanDerWaalsContact C-N 3.25Å; G395-E397 PolarHBondContact O-N 3.45Å; E397-M399 VanDerWaalsContact C-N 3.29Å; E397-M399 PolarHBondContact O-N 3.23Å
398D48.8Very low51.1Low122 Ų12297.7 Ų97.765%0.65253%0.534SS*.THydrogen-bonded Turntrans-83.718.5176.2-89-10.1000115L396 S400 D401L396-D398 VanDerWaalsContact C-N 3.27Å; D398-S400 VanDerWaalsContact C-N 3.28Å; D398-S400 PolarHBondContact O-N 3.38Å; D398-D401 PolarHBondContact O-N 3.17Å
399M48.5Very low51.8Low59 Ų5997.2 Ų97.229%0.29152%0.521SS..THydrogen-bonded Turntrans-77.6-7.1-173.4-68.5-75.2-85.300114.9R306 L396 E397 D401 L402R306-M399 VanDerWaalsContact CZ-CE 3.46Å; L396-M399 HydrophobicContact CB-CG 3.76Å; L396-M399 HydrophobicContact CB-SD 4.41Å; L396-M399 HydrophobicContact CD2-CG 4.38Å; L396-M399 HydrophobicContact CD2-SD 3.98Å; L396-M399 WeakPolarHBondContact O-CG 3.39Å; E397-M399 VanDerWaalsContact C-N 3.29Å; E397-M399 PolarHBondContact O-N 3.23Å; M399-D401 VanDerWaalsContact C-N 3.33Å; M399-L402 HydrophobicContact CE-CD1 4.38Å; M399-L402 HydrophobicContact SD-CD1 3.33Å; M399-L402 WeakPolarHBondContact SD-CD1 3.39Å
400S53.3Low52.5Low84 Ų8495.6 Ų95.659%0.58752%0.518SS*.THydrogen-bonded Turntrans-70.8-29.3170.647.60000112.7D398 L402D398-S400 VanDerWaalsContact C-N 3.28Å; D398-S400 PolarHBondContact O-N 3.38Å; S400-L402 PolarHBondContact O-N 3.3Å
401D61.8Low53.1Low83 Ų8397.6 Ų97.644%0.44452%0.519SS..Hα-helixtrans-82.9-20.7-167.4-64.18.8000111.8D398 M399 E403 Q404 E405D398-D401 PolarHBondContact O-N 3.17Å; M399-D401 VanDerWaalsContact C-N 3.33Å; D401-E403 VanDerWaalsContact C-N 3.34Å; D401-E403 PolarHBondContact O-N 3.47Å; D401-Q404 PolarHBondContact O-N 3.03Å; D401-E405 WeakPolarHBondContact O-CB 3.18Å; D401-E405 PolarHBondContact O-N 3Å
402L56.6Low53.1Low17 Ų1789.7 Ų89.79%0.08950%0.504CS..Hα-helixtrans-66.2-30.2176.8-86.2148.1000113.8L305 R306 K309 M399 S400 L406L305-L402 HydrophobicContact CD2-CD2 4.11Å; L305-L402 HydrophobicContact CG-CD2 4.05Å; R306-L402 HydrophobicContact CG-CD1 3.89Å; R306-L402 HydrophobicContact CG-CD2 3.76Å; R306-L402 HydrophobicContact CG-CG 4.46Å; K309-L402 HydrophobicContact CG-CD2 4.28Å; M399-L402 HydrophobicContact CE-CD1 4.38Å; M399-L402 HydrophobicContact SD-CD1 3.33Å; M399-L402 WeakPolarHBondContact SD-CD1 3.39Å; S400-L402 PolarHBondContact O-N 3.3Å; L402-L406 VanDerWaalsContact O-CB 3.3Å; L402-L406 WeakPolarHBondContact O-CB 3.45Å; L402-L406 PolarHBondContact O-N 2.97Å; L402-L406 VanDerWaalsContact O-N 3.09Å
403E59.6Low53.2Low109 Ų10992.1 Ų92.151%0.50952%0.521SS..Hα-helixtrans-74.3-42.3175.2-71.5-177.1176.400110.6K302 D401 E405 L406 D407K302-E403 IonicContact NZ-OE1 2.74Å; K302-E403 PolarHBondContact NZ-OE1 3.28Å; D401-E403 VanDerWaalsContact C-N 3.34Å; D401-E403 PolarHBondContact O-N 3.47Å; E403-E405 VanDerWaalsContact C-N 3.34Å; E403-E405 PolarHBondContact O-N 3.06Å; E403-L406 PolarHBondContact O-N 3.03Å; E403-D407 WeakPolarHBondContact O-CB 3.36Å; E403-D407 PolarHBondContact O-N 3.35Å
404Q67.7Low53.2Low122 Ų12296.2 Ų96.257%0.5753%0.525SS*.Hα-helixtrans-63.4-40.1174.6-171.6176.81800111.9D401 D407 N408D401-Q404 PolarHBondContact O-N 3.03Å; Q404-D407 PolarHBondContact O-N 2.97Å; Q404-N408 WeakPolarHBondContact O-CB 3.45Å; Q404-N408 PolarHBondContact O-N 3.08Å; Q404-N408 PolarHBondContact O-ND2 2.94Å; Q404-N408 PolarHBondContact O-OD1 3.34Å
405E63.7Low53.1Low39 Ų3998.1 Ų98.118%0.18253%0.533CS..Hα-helixtrans-68.6-39.1176.4-170.4-173.8-167.500112.3K309 D401 E403 D407 N408 F409K309-E405 WeakPolarHBondContact CE-OE1 3.44Å; K309-E405 WeakPolarHBondContact CE-OE2 3.22Å; K309-E405 VanDerWaalsContact NZ-CD 3.33Å; K309-E405 IonicContact NZ-OE1 2.75Å; K309-E405 PolarHBondContact NZ-OE1 3.08Å; K309-E405 IonicContact NZ-OE2 3.71Å; K309-E405 PolarHBondContact NZ-OE2 2.98Å; D401-E405 WeakPolarHBondContact O-CB 3.18Å; D401-E405 PolarHBondContact O-N 3Å; E403-E405 VanDerWaalsContact C-N 3.34Å; E403-E405 PolarHBondContact O-N 3.06Å; E405-D407 VanDerWaalsContact C-N 3.3Å; E405-D407 PolarHBondContact O-N 2.98Å; E405-N408 WeakPolarHBondContact O-CB 3.43Å; E405-N408 PolarHBondContact O-N 3.39Å; E405-F409 HydrophobicContact CG-CD2 4.25Å; E405-F409 HydrophobicContact CG-CE2 4.38Å; E405-F409 WeakPolarHBondContact O-CD2 3.16Å; E405-F409 PolarHBondContact O-N 3.06Å
406L65.2Low53.1Low17 Ų17100.2 Ų100.29%0.08953%0.532CS..Hα-helixtrans-62.6-40.4173.8-169.166.3000111.1L293 K302 L305 L402 E403 F409 L410L293-L406 HydrophobicContact CD1-CD1 4.42Å; L293-L406 HydrophobicContact CD2-CD1 3.93Å; K302-L406 HydrophobicContact CB-CD2 4.22Å; K302-L406 HydrophobicContact CG-CD2 4.45Å; L305-L406 HydrophobicContact CD2-CB 4.32Å; L305-L406 HydrophobicContact CD2-CD1 4.14Å; L402-L406 VanDerWaalsContact O-CB 3.3Å; L402-L406 WeakPolarHBondContact O-CB 3.45Å; L402-L406 PolarHBondContact O-N 2.97Å; L402-L406 VanDerWaalsContact O-N 3.09Å; E403-L406 PolarHBondContact O-N 3.03Å; L406-F409 WeakPolarHBondContact O-CB 3.42Å; L406-F409 PolarHBondContact O-N 3.35Å; L406-L410 WeakPolarHBondContact O-CG 3.32Å; L406-L410 PolarHBondContact O-N 2.68Å; L406-L410 VanDerWaalsContact O-N 3.09Å
407D67.7Low53Low94 Ų94101.1 Ų101.150%0.50355%0.546SS..Hα-helixtrans-66.2-39173.6-77.2-15.6000111.6E403 Q404 E405 F409 L410 V411E403-D407 WeakPolarHBondContact O-CB 3.36Å; E403-D407 PolarHBondContact O-N 3.35Å; Q404-D407 PolarHBondContact O-N 2.97Å; E405-D407 VanDerWaalsContact C-N 3.3Å; E405-D407 PolarHBondContact O-N 2.98Å; D407-F409 VanDerWaalsContact C-N 3.26Å; D407-F409 PolarHBondContact O-N 3.19Å; D407-L410 CarbonylContact O-C 3.59Å; D407-L410 PolarHBondContact O-N 3.02Å; D407-V411 WeakPolarHBondContact O-CB 3.38Å; D407-V411 WeakPolarHBondContact O-CG2 3.35Å; D407-V411 PolarHBondContact O-N 2.57Å
408N71Confident52.8Low107 Ų10797.9 Ų97.957%0.57254%0.541SS*.Hα-helixtrans-62.7-32.6172.5-70-18.9000112Q404 E405 V411Q404-N408 WeakPolarHBondContact O-CB 3.45Å; Q404-N408 PolarHBondContact O-N 3.08Å; Q404-N408 PolarHBondContact O-ND2 2.94Å; Q404-N408 PolarHBondContact O-OD1 3.34Å; E405-N408 WeakPolarHBondContact O-CB 3.43Å; E405-N408 PolarHBondContact O-N 3.39Å; N408-V411 CarbonylContact O-C 3.58Å
409F60.4Low52.6Low72 Ų7298.1 Ų98.132%0.31655%0.55SS..Hα-helixtrans-71-29.6172.1-97.4-80000113L293 E405 L406 D407L293-F409 HydrophobicContact CD1-CB 4.17Å; E405-F409 HydrophobicContact CG-CD2 4.25Å; E405-F409 HydrophobicContact CG-CE2 4.38Å; E405-F409 WeakPolarHBondContact O-CD2 3.16Å; E405-F409 PolarHBondContact O-N 3.06Å; L406-F409 WeakPolarHBondContact O-CB 3.42Å; L406-F409 PolarHBondContact O-N 3.35Å; D407-F409 VanDerWaalsContact C-N 3.26Å; D407-F409 PolarHBondContact O-N 3.19Å
410L57.8Low52Low91 Ų9198.8 Ų98.848%0.47657%0.571SS.*Hα-helixtrans-82.2-27.3176.9-71.1171.6000112.7L293 L406 D407L293-L410 HydrophobicContact CB-CD2 4.28Å; L293-L410 HydrophobicContact CD1-CD2 4.32Å; L293-L410 HydrophobicContact CD2-CD2 4.04Å; L293-L410 HydrophobicContact CG-CD2 4.44Å; L406-L410 WeakPolarHBondContact O-CG 3.32Å; L406-L410 PolarHBondContact O-N 2.68Å; L406-L410 VanDerWaalsContact O-N 3.09Å; D407-L410 CarbonylContact O-C 3.59Å; D407-L410 PolarHBondContact O-N 3.02Å
411V54.6Low51.3Low95 Ų95104.4 Ų104.458%0.57659%0.585SS**SBendtrans-102.482.9178.4-1740000108.9D407 N408D407-V411 WeakPolarHBondContact O-CB 3.38Å; D407-V411 WeakPolarHBondContact O-CG2 3.35Å; D407-V411 PolarHBondContact O-N 2.57Å; N408-V411 CarbonylContact O-C 3.58Å
412G44.5Very low49.8Very low46 Ų46107.1 Ų107.147%0.47461%0.605SS.*  trans-48.5158.4167.200000112.3K414G412-K414 PolarHBondContact O-N 3.04Å
413P36.7Very low49.1Very low136 Ų136115.1 Ų115.188%0.88364%0.642SS**SBendtrans-61.3106-152.928.2-35.2000111.8
414K36.9Very low48Very low190 Ų190116 Ų11683%0.82666%0.657SS**  trans-139.599.1174-80.6-171.3177.51740112.8G412G412-K414 PolarHBondContact O-N 3.04Å
415K36.8Very low46.6Very low208 Ų208113.2 Ų113.290%0.90465%0.651SS**  trans49.2126.7146.2-75.7-177.8174.3-178.10120.6
416P35.9Very low45.6Very low129 Ų129118.5 Ų118.584%0.83867%0.674SS**  trans-87.9155.9-178.137-33.8000113.3
417S38.3Very low44.8Very low116 Ų116123.2 Ų123.281%0.81170%0.699SS**  trans-137.3123.616353.80000110.6
418P43.9Very low44.1Very low119 Ų119124 Ų12477%0.77370%0.703SS**  trans-106.3-165.9-171.245.3-37.7000111.6
419P44.3Very low42.9Very low128 Ų128123.9 Ų123.983%0.83170%0.702SS**  cis-135.9164.5-4.335.3-15.5000116
420G35.3Very low42.3Very low72 Ų72126.4 Ų126.474%0.74272%0.715SS**  trans-174.586.916900000117.1
421K37.7Very low42.3Very low203 Ų203125.2 Ų125.288%0.88371%0.714SS**SBendtrans78.499.9154.9-60.7179.8-178.6176.30119.8
422T31.3Very low41.9Very low140 Ų140126.9 Ų126.986%0.85972%0.716SS**  trans70.489.7134.1-30.20000118
423Q41.6Very low42Very low185 Ų185130.9 Ų130.986%0.86473%0.725SS**  trans-143.8150.7162.3-101.4178.6-30.900109.7
424P37.3Very low42.8Very low127 Ų127127.9 Ų127.983%0.82571%0.712SS**  trans-63.3145.4-175.428.8-32.8000110.9
425S37Very low43.7Very low63 Ų63122.9 Ų122.944%0.44171%0.706SS.*  trans-50.5126-169.5-176.50000114.1D427S425-D427 PolarHBondContact O-N 3.18Å; S425-D427 WeakPolarHBondContact OG-CB 3.45Å; S425-D427 PolarHBondContact OG-N 3.28Å
426F43.3Very low43.9Very low150 Ų150119.3 Ų119.366%0.65870%0.696SS**THydrogen-bonded Turntrans-73.4-12.1170.2-171-99.1000112.1D428F426-D428 VanDerWaalsContact C-N 3.32Å; F426-D428 PolarHBondContact O-N 3.16Å
427D49.5Very low44.2Very low116 Ų116122 Ų12262%0.6270%0.695SS**Hα-helixtrans-75.3-17.5-179.3-63-22.5000113.1S425 S431S425-D427 PolarHBondContact O-N 3.18Å; S425-D427 WeakPolarHBondContact OG-CB 3.45Å; S425-D427 PolarHBondContact OG-N 3.28Å; D427-S431 PolarHBondContact O-N 3.35Å; D427-S431 PolarHBondContact O-OG 3.45Å
428D52.9Low44Very low112 Ų112124.1 Ų124.160%0.59970%0.696SS**Hα-helixtrans-81.5-28.8177.7-75.7-26.8000112.5F426 S431 E432F426-D428 VanDerWaalsContact C-N 3.32Å; F426-D428 PolarHBondContact O-N 3.16Å; D428-S431 WeakPolarHBondContact CA-OG 3.36Å; D428-S431 PolarHBondContact O-OG 2.92Å; D428-E432 WeakPolarHBondContact O-CB 3.43Å; D428-E432 PolarHBondContact O-N 3Å
429L44.3Very low43.5Very low103 Ų103125 Ų12554%0.53970%0.699SS.*Hα-helixtrans-82.8-30.6179-80.6158.5000112.7E432 L433L429-E432 PolarHBondContact O-N 3.11Å; L429-L433 WeakPolarHBondContact O-CB 3.18Å; L429-L433 PolarHBondContact O-N 2.87Å
430E49.1Very low43Very low125 Ų125124.8 Ų124.858%0.58470%0.695SS**Hα-helixtrans-77.3-25.6176.7-145.3166.4-152.400111.7A434E430-A434 VanDerWaalsContact O-CB 3.25Å; E430-A434 WeakPolarHBondContact O-CB 3.32Å; E430-A434 PolarHBondContact O-N 2.92Å; E430-A434 VanDerWaalsContact O-N 3.11Å
431S56.4Low42.8Very low66 Ų66128.8 Ų128.846%0.46270%0.7SS.*Hα-helixtrans-78.9-31.1169.551.30000113.1D427 D428 A435D427-S431 PolarHBondContact O-N 3.35Å; D427-S431 PolarHBondContact O-OG 3.45Å; D428-S431 WeakPolarHBondContact CA-OG 3.36Å; D428-S431 PolarHBondContact O-OG 2.92Å; S431-A435 PolarHBondContact O-N 2.96Å
432E47.6Very low42.8Very low131 Ų131127.6 Ų127.661%0.61270%0.698SS**Hα-helixtrans-72.2-36.9171.6-126.5172.6-174.100112.8D428 L429 A435D428-E432 WeakPolarHBondContact O-CB 3.43Å; D428-E432 PolarHBondContact O-N 3Å; L429-E432 PolarHBondContact O-N 3.11Å; E432-A435 PolarHBondContact O-N 2.67Å
433L45Very low42.9Very low129 Ų129128.5 Ų128.568%0.67570%0.702SS**Hα-helixtrans-74-28.8173.6-89.8161.8000113.3L429 A435L429-L433 WeakPolarHBondContact O-CB 3.18Å; L429-L433 PolarHBondContact O-N 2.87Å; L433-A435 VanDerWaalsContact C-N 3.32Å
434A55Low42.7Very low74 Ų74122.8 Ų122.861%0.61269%0.687SS**Hα-helixtrans-73.4-23.4172.100000112.9E430E430-A434 VanDerWaalsContact O-CB 3.25Å; E430-A434 WeakPolarHBondContact O-CB 3.32Å; E430-A434 PolarHBondContact O-N 2.92Å; E430-A434 VanDerWaalsContact O-N 3.11Å
435A55.2Low42.6Very low84 Ų84121.8 Ų121.869%0.69468%0.683SS**THydrogen-bonded Turntrans-81.4-12.5177.600000114.1S431 E432 L433S431-A435 PolarHBondContact O-N 2.96Å; E432-A435 PolarHBondContact O-N 2.67Å; L433-A435 VanDerWaalsContact C-N 3.32Å
436L40.2Very low42.6Very low133 Ų133127.3 Ų127.370%0.69671%0.707SS**THydrogen-bonded Turntrans-106.29.4-174.3-96.6151.5000114.8L438L436-L438 PolarHBondContact O-N 3.18Å; L436-L438 VanDerWaalsContact O-N 3.1Å
437K42.5Very low42.2Very low185 Ų185125.5 Ų125.580%0.80471%0.708SS**  trans-7796.8169.1-84.3-174.9175.2178.20110.8
438L34.7Very low41.4Very low162 Ų162126.4 Ų126.485%0.84871%0.713SS**  trans-55.6134.1164-110.5100.6000110.6L436 T440L436-L438 PolarHBondContact O-N 3.18Å; L436-L438 VanDerWaalsContact O-N 3.1Å; L438-T440 PolarHBondContact O-N 3.32Å
439V33.7Very low40.7Very low138 Ų138128.5 Ų128.584%0.83672%0.719SS**  trans-51.8113.5-178.6176.90000112.5
440T32.4Very low40.2Very low122 Ų122129.8 Ų129.875%0.74873%0.726SS**  trans-147.2120.7150.547.70000110.6L438L438-T440 PolarHBondContact O-N 3.32Å
441D32.8Very low39.5Very low156 Ų156128.1 Ų128.183%0.83473%0.729SS**  trans80.8141.6156.4-60.5-25.8000122.3
442E37.4Very low38.6Very low179 Ų179132.2 Ų132.284%0.83674%0.744SS**  trans9080.7166.5-64-170.2141.600119.6A444E442-A444 PolarHBondContact O-N 3.08Å
443V33.9Very low38Very low158 Ų158130.9 Ų130.996%0.95875%0.75SS**  trans-84.289.4138.4-177.90000107.6
444A36.3Very low37.6Very low66 Ų66129.5 Ų129.555%0.54575%0.751SS.*  trans-88131.8164.300000110E442E442-A444 PolarHBondContact O-N 3.08Å
445S34.7Very low36.8Very low105 Ų105134.8 Ų134.873%0.73476%0.76SS**  trans5595.6150.162.90000118.5
446L37.9Very low35.8Very low180 Ų180138.7 Ų138.794%0.94276%0.764SS**  trans-123.3125.5136.5-78.6173.8000109.6
447T35Very low35.7Very low112 Ų112139.9 Ų139.969%0.68777%0.771SS**  trans-66.2150.7-173.9-160000112.2
448D33.1Very low35.4Very low135 Ų135135.3 Ų135.372%0.72277%0.768SS**  trans75.9116.3144.1-81.1-27.3000121.5
449Q37.1Very low35.8Very low155 Ų155134.2 Ų134.272%0.72477%0.767SS**  trans95.5124.8136.7-68.7-174.518.500120.7
450N34.9Very low36Very low130 Ų130134.7 Ų134.770%0.69576%0.764SS**  trans79.795151-61.3-29.3000116.5
451S34.2Very low36.6Very low91 Ų91136.3 Ų136.364%0.63677%0.766SS**  79.6130.574.174.20000114
452L36.7Very low36.9Very low151 Ų151136.2 Ų136.279%0.79177%0.766SS**  trans81.8111.2155.3-72.4137.7000119.9
453S34.4Very low37.2Very low103 Ų103140.5 Ų140.572%0.7278%0.782SS**  63.9142.1128.370.30000117.4
454S37Very low37.4Very low100 Ų100139.7 Ų139.770%0.69977%0.773SS**  cis179.6142.614.531.80000106
455K38.1Very low37.4Very low186 Ų186143.5 Ų143.581%0.80979%0.785SS**  trans33.3137.9138.9-72.6-177.6175.9-179.90121.1
456Q34.4Very low37.6Very low165 Ų165145.7 Ų145.777%0.77179%0.788SS**  trans81.6109.8144.7-75.6170.7-26.500117.8
457N38.5Very low37.5Very low158 Ų158143.6 Ų143.685%0.84578%0.778SS**  -176131.795.8-91.8-30000112
458A36.9Very low37.7Very low89 Ų89145.6 Ų145.674%0.73678%0.784SS**  trans-73.6147155.400000108.9
459V41.7Very low38Very low139 Ų139146.3 Ų146.384%0.84279%0.788SS**  trans-162.8121.6138.8163.70000109.7
460I37.8Very low38.1Very low148 Ų148145.7 Ų145.776%0.75979%0.793SS**  trans-28149.2154.8-57.6167.1000115.6
461I45.6Very low38.3Very low156 Ų156146.9 Ų146.980%0.880%0.8SS**  -179.8119.3121.6-80.8150.5000111.4
462D38.5Very low38.7Very low154 Ų154151.6 Ų151.682%0.82481%0.814SS**  trans1.4141.4149.2-118.1-7000121.9
463K44.5Very low38.8Very low270 Ų270151.6 Ų151.6100%1.17482%0.816SS**  trans-148.70139.3-146.5-175.9-171-176.10111.1

Retrieved 463 of 463 residues in 438.4 ms (Link to these results)

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