A0A087WUG6_HUMAN Loading...

Chorionic somatomammotropin hormone 1

AlphaFold DB , UniProt , Accession A0A087WUG6, Species HUMAN (Homo sapiens, Human), Gene CSH1, Length 128 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
1M46.9Very low73.3Confident206 Ų206106.5 Ų106.5100%1.01552%0.52SS*.  0-39.10-159.6172.9-111.500110.9T4M1-T4 PolarHBondContact O-OG1 2.66Å
2E49.1Very low75Confident168 Ų16897.6 Ų97.679%0.78548%0.476SS*.Hα-helixtrans-61.9-44.6174.1-74.8175.2140.700113.9T4 Q5E2-T4 VanDerWaalsContact C-N 3.26Å; E2-T4 PolarHBondContact O-N 3.08Å; E2-Q5 WeakPolarHBondContact O-CB 3.33Å; E2-Q5 PolarHBondContact O-N 3.15Å
3E60.6Low76.5Confident160 Ų16090.2 Ų90.275%0.74844%0.44SS*.Hα-helixtrans-61.9-30.4-178.6-67.7-174.6172.300114.2
4T59.8Low77.8Confident30 Ų3088.9 Ų88.918%0.18443%0.428CS..Hα-helixtrans-75.5-26.8176.832.40000112.5M1 E2 Q6 K7 F113M1-T4 PolarHBondContact O-OG1 2.66Å; E2-T4 VanDerWaalsContact C-N 3.26Å; E2-T4 PolarHBondContact O-N 3.08Å; T4-Q6 VanDerWaalsContact C-N 3.27Å; T4-Q6 PolarHBondContact O-N 3.23Å; T4-K7 PolarHBondContact O-N 3.43Å; T4-F113 HydrophobicContact CG2-CE1 3.56Å; T4-F113 HydrophobicContact CG2-CZ 4.09Å
5Q63.6Low78.8Confident140 Ų14086.5 Ų86.565%0.65442%0.418SS*.Hα-helixtrans-70.3-29179.4-154.1169.24.200111.3E2 R120E2-Q5 WeakPolarHBondContact O-CB 3.33Å; E2-Q5 PolarHBondContact O-N 3.15Å; Q5-R120 PolarHBondContact O-NH2 3.24Å
6Q76.3Confident79.9Confident179 Ų17981.1 Ų81.184%0.83639%0.391SS*.THydrogen-bonded Turntrans-80-16.2-179.5-159.5168.712.600114.4T4T4-Q6 VanDerWaalsContact C-N 3.27Å; T4-Q6 PolarHBondContact O-N 3.23Å
7K85.9Confident80.8Confident65 Ų6576.5 Ų76.528%0.28337%0.37SS..SBendtrans-73.9140.6179.5-68.6178.1-178.3170.50111.7T4 E11 L12 I15 R120T4-K7 PolarHBondContact O-N 3.43Å; K7-E11 HydrophobicContact CB-CB 4.33Å; K7-L12 HydrophobicContact CB-CD2 3.92Å; K7-L12 HydrophobicContact CB-CG 4.09Å; K7-L12 HydrophobicContact CD-CD2 4.13Å; K7-I15 HydrophobicContact CD-CD1 3.92Å; K7-R120 PolarHBondContact O-NH1 3.27Å
8S89.8Confident81.4Confident54 Ų5474.3 Ų74.338%0.37836%0.36SS..  trans-68.4159.6172.966.20000111.8L10 E11 L12S8-L10 PolarHBondContact O-N 3.47Å; S8-E11 WeakPolarHBondContact CB-OE2 3.4Å; S8-E11 PolarHBondContact N-OE2 2.77Å; S8-E11 PolarHBondContact O-N 3.46Å; S8-E11 VanDerWaalsContact O-N 3.16Å; S8-E11 VanDerWaalsContact OG-CG 3.27Å; S8-E11 WeakPolarHBondContact OG-CG 3.02Å; S8-E11 PolarHBondContact OG-N 3.45Å; S8-E11 PolarHBondContact OG-OE2 3.37Å; S8-L12 WeakPolarHBondContact O-CG 3.47Å; S8-L12 PolarHBondContact O-N 2.74Å
9N91.2Very high82.1Confident31 Ų3171.9 Ų71.917%0.16635%0.349CS..Hα-helixtrans-59.3-38.3177.9-71.63.4000111.9L12 L13 L65 V117 R120 S121N9-L12 PolarHBondContact O-N 3.06Å; N9-L13 WeakPolarHBondContact O-CG 3.39Å; N9-L13 PolarHBondContact O-N 2.83Å; N9-L65 HydrophobicContact CB-CD1 4.45Å; N9-V117 HydrophobicContact CB-CG1 4.21Å; N9-V117 HydrophobicContact CB-CG2 4.14Å; N9-R120 WeakPolarHBondContact OD1-CD 3.47Å; N9-R120 PolarHBondContact OD1-NH1 3.19Å; N9-S121 PolarHBondContact ND2-OG 3.03Å; N9-S121 VanDerWaalsContact ND2-OG 3.09Å
10L91.2Very high82.6Confident39 Ų3968.3 Ų68.320%0.20433%0.331CS..Hα-helixtrans-64.6-40.3177.1-173.264.3000111.9S8 L13 R14 M62 L65 E66S8-L10 PolarHBondContact O-N 3.47Å; L10-L13 PolarHBondContact O-N 3.21Å; L10-R14 VanDerWaalsContact O-CB 3.31Å; L10-R14 WeakPolarHBondContact O-CB 3.44Å; L10-R14 PolarHBondContact O-N 3.46Å; L10-M62 HydrophobicContact CD1-CB 4.07Å; L10-M62 HydrophobicContact CD1-CE 4.02Å; L10-M62 HydrophobicContact CD1-CG 3.99Å; L10-L65 HydrophobicContact CD1-CB 4.48Å; L10-E66 HydrophobicContact CD1-CG 3.91Å; L10-E66 HydrophobicContact CD2-CG 3.94Å
11E91.9Very high83.1Confident99 Ų9967.1 Ų67.146%0.46333%0.325SS..Hα-helixtrans-65.3-41.2175.2-73.4167.4116.400112.1K7 S8 R14 I15K7-E11 HydrophobicContact CB-CB 4.33Å; S8-E11 WeakPolarHBondContact CB-OE2 3.4Å; S8-E11 PolarHBondContact N-OE2 2.77Å; S8-E11 PolarHBondContact O-N 3.46Å; S8-E11 VanDerWaalsContact O-N 3.16Å; S8-E11 VanDerWaalsContact OG-CG 3.27Å; S8-E11 WeakPolarHBondContact OG-CG 3.02Å; S8-E11 PolarHBondContact OG-N 3.45Å; S8-E11 PolarHBondContact OG-OE2 3.37Å; E11-R14 PolarHBondContact O-N 3.26Å; E11-I15 WeakPolarHBondContact O-CD1 3.19Å; E11-I15 VanDerWaalsContact O-CG1 3.23Å; E11-I15 WeakPolarHBondContact O-CG1 3.07Å; E11-I15 PolarHBondContact O-N 3.22Å
12L94Very high85.2Confident0 Ų057.9 Ų57.90%028%0.281CS..Hα-helixtrans-62.2-44176-67.7176.4000111.7K7 S8 N9 S16 F113 M116 V117K7-L12 HydrophobicContact CB-CD2 3.92Å; K7-L12 HydrophobicContact CB-CG 4.09Å; K7-L12 HydrophobicContact CD-CD2 4.13Å; S8-L12 WeakPolarHBondContact O-CG 3.47Å; S8-L12 PolarHBondContact O-N 2.74Å; N9-L12 PolarHBondContact O-N 3.06Å; L12-S16 WeakPolarHBondContact O-CB 3.46Å; L12-S16 PolarHBondContact O-N 3.29Å; L12-S16 PolarHBondContact O-OG 2.01Å; L12-F113 HydrophobicContact CB-CB 4.36Å; L12-F113 HydrophobicContact CD2-CB 4.44Å; L12-F113 HydrophobicContact CD2-CD1 4.01Å; L12-F113 HydrophobicContact CD2-CE1 4.39Å; L12-F113 HydrophobicContact CD2-CG 4.05Å; L12-M116 HydrophobicContact CD1-CB 4.09Å; L12-M116 HydrophobicContact CD1-CE 4.3Å; L12-M116 HydrophobicContact CD2-CE 4.14Å; L12-V117 HydrophobicContact CB-CG2 3.78Å; L12-V117 HydrophobicContact CD1-CG2 4.06Å
13L94.5Very high87.2Confident1 Ų149.9 Ų49.91%0.00524%0.244CC..Hα-helixtrans-64-43.9174.6-69172.8000111.7N9 L10 I15 S16 L17 I58 L61 M62 L65 L114 V117N9-L13 WeakPolarHBondContact O-CG 3.39Å; N9-L13 PolarHBondContact O-N 2.83Å; L10-L13 PolarHBondContact O-N 3.21Å; L13-I15 PolarHBondContact O-N 3.27Å; L13-S16 WeakPolarHBondContact O-CB 3.03Å; L13-S16 PolarHBondContact O-N 3.04Å; L13-L17 WeakPolarHBondContact O-CB 3.35Å; L13-L17 PolarHBondContact O-N 3.04Å; L13-I58 HydrophobicContact CB-CG2 4.13Å; L13-I58 HydrophobicContact CD2-CG2 4.23Å; L13-L61 HydrophobicContact CD1-CB 4.01Å; L13-L61 HydrophobicContact CD2-CD1 4.3Å; L13-M62 HydrophobicContact CB-CG 3.64Å; L13-M62 HydrophobicContact CB-SD 4.13Å; L13-M62 HydrophobicContact CD1-CG 4Å; L13-M62 HydrophobicContact CG-CG 4.45Å; L13-L65 HydrophobicContact CD1-CD1 3.46Å; L13-L65 VanDerWaalsContact CD1-CD1 3.46Å; L13-L114 HydrophobicContact CD2-CD2 3.71Å; L13-V117 HydrophobicContact CD1-CG1 4.43Å; L13-V117 HydrophobicContact CD2-CG1 4.3Å; L13-V117 HydrophobicContact CD2-CG2 4.29Å; L13-V117 HydrophobicContact CG-CG1 4.38Å; L13-V117 HydrophobicContact CG-CG2 4.15Å
14R93.8Very high88.5Confident72 Ų7243.2 Ų43.227%0.27221%0.213SC..Hα-helixtrans-60.9-44.2178.5-173.469.1175.7176.4-4.8112L10 E11 S16 L17 L18 M62 G73 Q74L10-R14 VanDerWaalsContact O-CB 3.31Å; L10-R14 WeakPolarHBondContact O-CB 3.44Å; L10-R14 PolarHBondContact O-N 3.46Å; E11-R14 PolarHBondContact O-N 3.26Å; R14-S16 VanDerWaalsContact C-N 3.33Å; R14-L17 PolarHBondContact O-N 3.41Å; R14-L18 WeakPolarHBondContact O-CG 3.33Å; R14-L18 PolarHBondContact O-N 2.76Å; R14-L18 VanDerWaalsContact O-N 3.09Å; R14-M62 HydrophobicContact CB-CE 4.17Å; R14-G73 PolarHBondContact NH2-O 2.88Å; R14-Q74 PolarHBondContact NH2-O 3.46Å; R14-Q74 VanDerWaalsContact NH2-O 3.14Å
15I92.9Very high89.6Confident53 Ų5347.4 Ų47.427%0.27223%0.23SC..Hα-helixtrans-65.4-41.3177-63.8162.6000110.2K7 E11 L13 L17 L18 L19 F113K7-I15 HydrophobicContact CD-CD1 3.92Å; E11-I15 WeakPolarHBondContact O-CD1 3.19Å; E11-I15 VanDerWaalsContact O-CG1 3.23Å; E11-I15 WeakPolarHBondContact O-CG1 3.07Å; E11-I15 PolarHBondContact O-N 3.22Å; L13-I15 PolarHBondContact O-N 3.27Å; I15-L17 PolarHBondContact O-N 3.15Å; I15-L18 PolarHBondContact O-N 3.2Å; I15-L19 HydrophobicContact CG2-CD1 4.35Å; I15-L19 WeakPolarHBondContact O-CG 3.47Å; I15-L19 PolarHBondContact O-N 2.95Å; I15-L19 VanDerWaalsContact O-N 3.09Å; I15-F113 HydrophobicContact CB-CD2 4.41Å; I15-F113 HydrophobicContact CB-CE2 4.24Å; I15-F113 HydrophobicContact CG2-CD2 4.16Å; I15-F113 HydrophobicContact CG2-CE2 3.63Å
16S96.1Very high90.6Very high0 Ų041.2 Ų41.20%020%0.203CC..Hα-helixtrans-60.8-45.2177.7-56.50000111.6L12 L13 R14 L18 L19 I20 F113L12-S16 WeakPolarHBondContact O-CB 3.46Å; L12-S16 PolarHBondContact O-N 3.29Å; L12-S16 PolarHBondContact O-OG 2.01Å; L13-S16 WeakPolarHBondContact O-CB 3.03Å; L13-S16 PolarHBondContact O-N 3.04Å; R14-S16 VanDerWaalsContact C-N 3.33Å; S16-L18 PolarHBondContact O-N 2.85Å; S16-L19 PolarHBondContact O-N 3.1Å; S16-I20 WeakPolarHBondContact O-CG1 3.33Å; S16-I20 PolarHBondContact O-N 3.26Å; S16-F113 WeakPolarHBondContact OG-CB 3.41Å
17L95.4Very high91Very high4 Ų433.3 Ų33.32%0.02117%0.166CC..Hα-helixtrans-58.1-48.6176.1-175.964000111.5L13 R14 I15 L19 I20 E21 E55 I58 Q59 M62L13-L17 WeakPolarHBondContact O-CB 3.35Å; L13-L17 PolarHBondContact O-N 3.04Å; R14-L17 PolarHBondContact O-N 3.41Å; I15-L17 PolarHBondContact O-N 3.15Å; L17-L19 VanDerWaalsContact C-N 3.28Å; L17-L19 PolarHBondContact O-N 2.69Å; L17-I20 PolarHBondContact O-N 3.32Å; L17-E21 HydrophobicContact CD1-CG 4.19Å; L17-E21 HydrophobicContact CG-CG 4.24Å; L17-E21 WeakPolarHBondContact O-CB 3.4Å; L17-E21 VanDerWaalsContact O-CG 3.32Å; L17-E21 WeakPolarHBondContact O-CG 3.37Å; L17-E21 PolarHBondContact O-N 3.09Å; L17-E55 HydrophobicContact CD1-CB 4.39Å; L17-E55 HydrophobicContact CD1-CG 3.56Å; L17-I58 HydrophobicContact CB-CG2 3.95Å; L17-I58 HydrophobicContact CD1-CG2 4.38Å; L17-Q59 HydrophobicContact CD1-CG 3.87Å; L17-Q59 HydrophobicContact CD2-CG 3.99Å; L17-M62 HydrophobicContact CD2-SD 4Å
18L92.1Very high90.8Very high36 Ų3635 Ų3519%0.18817%0.171CC..Hα-helixtrans-60.4-37.3179.3-72.1170.1000112.7R14 I15 S16 S22 L76R14-L18 WeakPolarHBondContact O-CG 3.33Å; R14-L18 PolarHBondContact O-N 2.76Å; R14-L18 VanDerWaalsContact O-N 3.09Å; I15-L18 PolarHBondContact O-N 3.2Å; S16-L18 PolarHBondContact O-N 2.85Å; L18-S22 VanDerWaalsContact O-CB 3.29Å; L18-S22 WeakPolarHBondContact O-CB 3.45Å; L18-S22 PolarHBondContact O-N 3.29Å; L18-S22 VanDerWaalsContact O-N 3.11Å; L18-S22 PolarHBondContact O-OG 3.02Å; L18-L76 HydrophobicContact CD1-CB 3.63Å; L18-L76 HydrophobicContact CD1-CD2 4.11Å; L18-L76 HydrophobicContact CD1-CG 4.32Å; L18-L76 HydrophobicContact CD2-CB 3.78Å; L18-L76 HydrophobicContact CG-CB 4.36Å
19L94.1Very high90.2Very high29 Ų2935 Ų3515%0.15216%0.164CC..Hα-helixtrans-65.6-50.2175.2-70.1172.1000110.5I15 S16 L17 E21 S22 W23 D106 K109 V110I15-L19 HydrophobicContact CG2-CD1 4.35Å; I15-L19 WeakPolarHBondContact O-CG 3.47Å; I15-L19 PolarHBondContact O-N 2.95Å; I15-L19 VanDerWaalsContact O-N 3.09Å; S16-L19 PolarHBondContact O-N 3.1Å; L17-L19 VanDerWaalsContact C-N 3.28Å; L17-L19 PolarHBondContact O-N 2.69Å; L19-E21 PolarHBondContact O-N 2.82Å; L19-S22 PolarHBondContact O-N 2.75Å; L19-S22 PolarHBondContact O-OG 3.07Å; L19-W23 PolarHBondContact O-N 2.88Å; L19-D106 HydrophobicContact CD2-CB 4.13Å; L19-K109 HydrophobicContact CD1-CB 4.24Å; L19-K109 HydrophobicContact CD1-CD 4.5Å; L19-V110 HydrophobicContact CB-CG2 3.79Å; L19-V110 HydrophobicContact CD1-CG2 3.86Å; L19-V110 HydrophobicContact CG-CG2 4.48Å
20I93.5Very high89.5Confident0 Ų034 Ų340%016%0.158CC..Hα-helixtrans-58-51.3178.9-69159.1000111.2S16 L17 S22 W23 L24 L51 L54 E55 I58 V110S16-I20 WeakPolarHBondContact O-CG1 3.33Å; S16-I20 PolarHBondContact O-N 3.26Å; L17-I20 PolarHBondContact O-N 3.32Å; I20-S22 PolarHBondContact O-N 3.16Å; I20-W23 PolarHBondContact O-N 3.37Å; I20-L24 PolarHBondContact O-N 3.36Å; I20-L51 HydrophobicContact CG2-CB 4.31Å; I20-L51 HydrophobicContact CG2-CD2 4.42Å; I20-L51 WeakPolarHBondContact CG2-O 3.38Å; I20-L54 HydrophobicContact CD1-CB 4.31Å; I20-L54 HydrophobicContact CD1-CD2 3.56Å; I20-L54 HydrophobicContact CD1-CG 3.64Å; I20-L54 HydrophobicContact CG1-CD2 4.21Å; I20-E55 HydrophobicContact CG2-CB 4Å; I20-I58 HydrophobicContact CD1-CD1 3.25Å; I20-V110 HydrophobicContact CD1-CG1 4.03Å; I20-V110 HydrophobicContact CG1-CG1 4.33Å; I20-V110 HydrophobicContact CG1-CG2 4.29Å
21E91.4Very high88.7Confident43 Ų4338 Ų3820%0.20117%0.171CC..Hα-helixtrans-57.9-35.8179.3-72.2176.5165.900111.9L17 L19 W23 E55 Q78L17-E21 HydrophobicContact CD1-CG 4.19Å; L17-E21 HydrophobicContact CG-CG 4.24Å; L17-E21 WeakPolarHBondContact O-CB 3.4Å; L17-E21 VanDerWaalsContact O-CG 3.32Å; L17-E21 WeakPolarHBondContact O-CG 3.37Å; L17-E21 PolarHBondContact O-N 3.09Å; L19-E21 PolarHBondContact O-N 2.82Å; E21-W23 PolarHBondContact O-N 2.9Å; E21-E55 HydrophobicContact CG-CG 4.39Å; E21-Q78 PolarHBondContact O-NE2 3.02Å
22S90.9Very high87.6Confident13 Ų1336.2 Ų36.29%0.09117%0.169CC..Hα-helixtrans-70.1-19.4177.978.90000114.2L18 L19 I20 P26L18-S22 VanDerWaalsContact O-CB 3.29Å; L18-S22 WeakPolarHBondContact O-CB 3.45Å; L18-S22 PolarHBondContact O-N 3.29Å; L18-S22 VanDerWaalsContact O-N 3.11Å; L18-S22 PolarHBondContact O-OG 3.02Å; L19-S22 PolarHBondContact O-N 2.75Å; L19-S22 PolarHBondContact O-OG 3.07Å; I20-S22 PolarHBondContact O-N 3.16Å; S22-P26 VanDerWaalsContact O-CD 3.31Å; S22-P26 WeakPolarHBondContact O-CD 3.46Å; S22-P26 WeakPolarHBondContact O-CG 3.22Å
23W91.9Very high86.3Confident0 Ų039.9 Ų39.90%019%0.188CC..Hα-helixtrans-99.1-12.4-177.5-79.8112.3000114.3L19 I20 E21 E25 P26 V27 Y80 L99 C102 F103 D106 M107L19-W23 PolarHBondContact O-N 2.88Å; I20-W23 PolarHBondContact O-N 3.37Å; E21-W23 PolarHBondContact O-N 2.9Å; W23-E25 PolarHBondContact O-N 3.33Å; W23-P26 HydrophobicContact CE3-CB 3.66Å; W23-P26 HydrophobicContact CE3-CG 4.16Å; W23-P26 HydrophobicContact CZ3-CB 3.81Å; W23-P26 HydrophobicContact CZ3-CG 4.47Å; W23-P26 WeakPolarHBondContact O-CD 3.38Å; W23-V27 HydrophobicContact CB-CG2 4.48Å; W23-V27 HydrophobicContact CE3-CG2 4.42Å; W23-V27 WeakPolarHBondContact O-CB 3.46Å; W23-V27 VanDerWaalsContact O-CG2 3.3Å; W23-V27 WeakPolarHBondContact O-CG2 3.41Å; W23-V27 PolarHBondContact O-N 2.92Å; W23-Y80 HydrophobicContact CZ2-CE1 4.49Å; W23-L99 HydrophobicContact CH2-CD1 3.4Å; W23-L99 VanDerWaalsContact CH2-CD1 3.4Å; W23-L99 HydrophobicContact CH2-CG 3.88Å; W23-L99 WeakPolarHBondContact CH2-O 3.41Å; W23-L99 HydrophobicContact CZ3-CD1 3.49Å; W23-L99 VanDerWaalsContact CZ3-CD1 3.49Å; W23-L99 HydrophobicContact CZ3-CG 3.69Å; W23-C102 HydrophobicContact CH2-CB 3.86Å; W23-C102 VanDerWaalsContact CZ2-C 3.46Å; W23-C102 HydrophobicContact CZ2-CB 3.71Å; W23-F103 HydrophobicContact CB-CD2 4.15Å; W23-F103 HydrophobicContact CB-CE2 4.23Å; W23-F103 HydrophobicContact CD2-CB 4.2Å; W23-F103 AromaticContact CD2-CD2 3.57Å; W23-F103 HydrophobicContact CD2-CD2 3.57Å; W23-F103 HydrophobicContact CD2-CE2 4.49Å; W23-F103 HydrophobicContact CD2-CG 4.38Å; W23-F103 HydrophobicContact CE3-CB 3.89Å; W23-F103 AromaticContact CE3-CD2 3.61Å; W23-F103 HydrophobicContact CE3-CD2 3.61Å; W23-F103 HydrophobicContact CE3-CG 4.16Å; W23-F103 AromaticContact CG-CD2 3.77Å; W23-F103 HydrophobicContact CG-CD2 3.77Å; W23-F103 HydrophobicContact CG-CE2 4.29Å; W23-F103 HydrophobicContact CH2-CB 3.73Å; W23-F103 VanDerWaalsContact CH2-N 3.3Å; W23-F103 VanDerWaalsContact CZ2-CA 3.41Å; W23-F103 HydrophobicContact CZ2-CB 4.02Å; W23-F103 HydrophobicContact CZ3-CB 3.64Å; W23-F103 HydrophobicContact CZ3-CD2 4.26Å; W23-F103 HydrophobicContact CZ3-CG 4.38Å; W23-D106 PolarHBondContact NE1-OD2 3.42Å; W23-M107 HydrophobicContact CB-CE 4.5Å; W23-M107 HydrophobicContact CG-CE 4.2Å
24L87.9Confident84.8Confident20 Ų2044.7 Ų44.711%0.10521%0.209CC..Hα-helixtrans-56.1-50.2-179.5-67.9176.4000113.2I20 R28 Y48 L51 K52I20-L24 PolarHBondContact O-N 3.36Å; L24-R28 PolarHBondContact O-N 2.97Å; L24-Y48 HydrophobicContact CB-CE2 4.36Å; L24-Y48 HydrophobicContact CD2-CD2 4.47Å; L24-Y48 HydrophobicContact CD2-CE2 4.2Å; L24-L51 HydrophobicContact CD2-CB 3.89Å; L24-K52 HydrophobicContact CD1-CD 4.03Å; L24-K52 HydrophobicContact CD2-CD 3.71Å; L24-K52 HydrophobicContact CD2-CG 4.14Å
25E84.1Confident83.3Confident117 Ų11744.8 Ų44.855%0.54723%0.225SC..Hα-helixtrans-71.8-48178.6-66.7-57.7136.100112.6W23 V27 R28 F29W23-E25 PolarHBondContact O-N 3.33Å; E25-V27 VanDerWaalsContact C-N 3.34Å; E25-V27 PolarHBondContact O-N 2.91Å; E25-R28 PolarHBondContact O-N 2.83Å; E25-R28 IonicContact OE1-CZ 3.4Å; E25-R28 IonicContact OE1-NH1 2.7Å; E25-R28 PolarHBondContact OE1-NH1 3.18Å; E25-R28 IonicContact OE1-NH2 3.27Å; E25-R28 PolarHBondContact OE1-NH2 3.24Å; E25-R28 IonicContact OE2-CZ 3.87Å; E25-R28 IonicContact OE2-NH1 2.79Å; E25-R28 PolarHBondContact OE2-NH1 3.02Å; E25-F29 PolarHBondContact O-N 3.36Å; E25-F29 VanDerWaalsContact O-N 3.08Å
26P84.1Confident81.4Confident11 Ų1148.6 Ų48.67%0.07125%0.246CC..Hα-helixtrans-57.2-39.3176.6-27.534.3000114.8S22 W23 F29 L30 L99S22-P26 VanDerWaalsContact O-CD 3.31Å; S22-P26 WeakPolarHBondContact O-CD 3.46Å; S22-P26 WeakPolarHBondContact O-CG 3.22Å; W23-P26 HydrophobicContact CE3-CB 3.66Å; W23-P26 HydrophobicContact CE3-CG 4.16Å; W23-P26 HydrophobicContact CZ3-CB 3.81Å; W23-P26 HydrophobicContact CZ3-CG 4.47Å; W23-P26 WeakPolarHBondContact O-CD 3.38Å; P26-F29 PolarHBondContact O-N 3.22Å; P26-L30 WeakPolarHBondContact O-CB 3.48Å; P26-L30 WeakPolarHBondContact O-CG 3.33Å; P26-L30 PolarHBondContact O-N 3.15Å; P26-L99 HydrophobicContact CB-CD1 4.44Å; P26-L99 HydrophobicContact CB-CD2 4.16Å
27V84.2Confident79.4Confident12 Ų1255.1 Ų55.17%0.07328%0.281CS..Hα-helixtrans-67.3-39.9178.8167.70000111.2W23 E25 F29 L30 R31 D47 L51 F103W23-V27 HydrophobicContact CB-CG2 4.48Å; W23-V27 HydrophobicContact CE3-CG2 4.42Å; W23-V27 WeakPolarHBondContact O-CB 3.46Å; W23-V27 VanDerWaalsContact O-CG2 3.3Å; W23-V27 WeakPolarHBondContact O-CG2 3.41Å; W23-V27 PolarHBondContact O-N 2.92Å; E25-V27 VanDerWaalsContact C-N 3.34Å; E25-V27 PolarHBondContact O-N 2.91Å; V27-F29 VanDerWaalsContact C-N 3.29Å; V27-F29 PolarHBondContact O-N 3.09Å; V27-L30 PolarHBondContact O-N 3.23Å; V27-R31 WeakPolarHBondContact O-CB 3.42Å; V27-R31 PolarHBondContact O-N 3.2Å; V27-D47 HydrophobicContact CG1-CB 3.91Å; V27-L51 HydrophobicContact CB-CD1 4.21Å; V27-L51 HydrophobicContact CG1-CD1 4.29Å; V27-L51 HydrophobicContact CG2-CD1 3.81Å; V27-F103 HydrophobicContact CG2-CD2 3.92Å; V27-F103 HydrophobicContact CG2-CE2 3.62Å; V27-F103 HydrophobicContact CG2-CZ 4.05Å
28R80.8Confident77.3Confident102 Ų10261.5 Ų61.539%0.38531%0.314SS..Hα-helixtrans-61.8-39.1174.8-158.7-174.1-60.4128.9-2.1111.6L24 E25 S32 Y48L24-R28 PolarHBondContact O-N 2.97Å; E25-R28 PolarHBondContact O-N 2.83Å; E25-R28 IonicContact OE1-CZ 3.4Å; E25-R28 IonicContact OE1-NH1 2.7Å; E25-R28 PolarHBondContact OE1-NH1 3.18Å; E25-R28 IonicContact OE1-NH2 3.27Å; E25-R28 PolarHBondContact OE1-NH2 3.24Å; E25-R28 IonicContact OE2-CZ 3.87Å; E25-R28 IonicContact OE2-NH1 2.79Å; E25-R28 PolarHBondContact OE2-NH1 3.02Å; R28-S32 PolarHBondContact O-N 2.87Å; R28-Y48 VanDerWaalsContact NH2-CZ 3.27Å; R28-Y48 PolarHBondContact NH2-OH 2.84Å
29F77.8Confident75.3Confident54 Ų5467 Ų6724%0.23735%0.349CS..Hα-helixtrans-68.2-47.1175174.6-98.8000112.8E25 P26 V27 R31 S32 M33 T85E25-F29 PolarHBondContact O-N 3.36Å; E25-F29 VanDerWaalsContact O-N 3.08Å; P26-F29 PolarHBondContact O-N 3.22Å; V27-F29 VanDerWaalsContact C-N 3.29Å; V27-F29 PolarHBondContact O-N 3.09Å; F29-R31 VanDerWaalsContact C-N 3.25Å; F29-R31 PolarHBondContact O-N 2.89Å; F29-S32 PolarHBondContact O-N 3.29Å; F29-S32 PolarHBondContact O-OG 3.36Å; F29-M33 HydrophobicContact CD1-CG 4.44Å; F29-M33 HydrophobicContact CE1-CG 3.84Å; F29-M33 HydrophobicContact CE2-CG 4.07Å; F29-M33 HydrophobicContact CE2-SD 4.27Å; F29-M33 HydrophobicContact CZ-CG 3.62Å; F29-M33 HydrophobicContact CZ-SD 3.93Å; F29-M33 PolarHBondContact O-N 2.95Å; F29-T85 HydrophobicContact CD1-CG2 3.99Å; F29-T85 HydrophobicContact CD2-CG2 3.92Å; F29-T85 HydrophobicContact CE1-CG2 3.5Å; F29-T85 VanDerWaalsContact CE1-CG2 3.5Å; F29-T85 HydrophobicContact CE2-CG2 3.42Å; F29-T85 VanDerWaalsContact CE2-CG2 3.42Å; F29-T85 HydrophobicContact CG-CG2 4.18Å; F29-T85 HydrophobicContact CZ-CG2 3.2Å
30L76.4Confident73.1Confident8 Ų874.7 Ų74.74%0.04238%0.377CS..Hα-helixtrans-59.6-40.1179.3-75.1167.3000111.1P26 V27 S32 M33 F34 N96 L99 L100P26-L30 WeakPolarHBondContact O-CB 3.48Å; P26-L30 WeakPolarHBondContact O-CG 3.33Å; P26-L30 PolarHBondContact O-N 3.15Å; V27-L30 PolarHBondContact O-N 3.23Å; L30-S32 PolarHBondContact O-N 3.27Å; L30-M33 PolarHBondContact O-N 3.32Å; L30-F34 HydrophobicContact CB-CD2 4.49Å; L30-F34 HydrophobicContact CB-CE2 4.37Å; L30-F34 HydrophobicContact CD2-CE2 3.99Å; L30-F34 WeakPolarHBondContact O-CD2 2.99Å; L30-F34 PolarHBondContact O-N 2.89Å; L30-F34 VanDerWaalsContact O-N 3.13Å; L30-N96 HydrophobicContact CD2-CB 4.36Å; L30-L99 HydrophobicContact CD1-CD2 3.82Å; L30-L99 HydrophobicContact CD1-CG 4.05Å; L30-L99 HydrophobicContact CD2-CD2 3.99Å; L30-L99 HydrophobicContact CG-CD2 3.9Å; L30-L100 HydrophobicContact CD1-CD2 3.87Å; L30-L100 HydrophobicContact CD1-CG 4.27Å; L30-L100 HydrophobicContact CD2-CG 4.32Å
31R74.4Confident70.7Confident123 Ų12381.2 Ų81.246%0.46441%0.412SS..Hα-helixtrans-56.5-48.2175-176.9-177.9177.5178.88.8112.6V27 F29 M33 F34 A35 D46V27-R31 WeakPolarHBondContact O-CB 3.42Å; V27-R31 PolarHBondContact O-N 3.2Å; F29-R31 VanDerWaalsContact C-N 3.25Å; F29-R31 PolarHBondContact O-N 2.89Å; R31-M33 PolarHBondContact O-N 3.03Å; R31-F34 PolarHBondContact O-N 3.19Å; R31-A35 VanDerWaalsContact O-CB 3.32Å; R31-A35 WeakPolarHBondContact O-CB 3.48Å; R31-A35 PolarHBondContact O-N 3.44Å; R31-D46 IonicContact CZ-OD1 2.99Å; R31-D46 IonicContact CZ-OD2 3.52Å; R31-D46 IonicContact NE-OD1 3.98Å; R31-D46 IonicContact NH1-OD1 2.94Å; R31-D46 PolarHBondContact NH1-OD1 2.86Å; R31-D46 IonicContact NH1-OD2 2.73Å; R31-D46 PolarHBondContact NH1-OD2 2.87Å; R31-D46 IonicContact NH2-OD1 2.67Å; R31-D46 PolarHBondContact NH2-OD1 3.32Å; R31-D46 IonicContact NH2-OD2 3.47Å; R31-D46 PolarHBondContact NH2-OD2 3.44Å
32S69.8Low68.5Low62 Ų6285 Ų8543%0.43444%0.438SS..Hα-helixtrans-64.8-27.2-178.370.90000112.7R28 F29 L30 N36R28-S32 PolarHBondContact O-N 2.87Å; F29-S32 PolarHBondContact O-N 3.29Å; F29-S32 PolarHBondContact O-OG 3.36Å; L30-S32 PolarHBondContact O-N 3.27Å; S32-N36 PolarHBondContact O-ND2 3.34Å; S32-N36 VanDerWaalsContact O-ND2 3.13Å
33M66.1Low66.5Low77 Ų7789 Ų8938%0.37947%0.466SS..Hα-helixtrans-76.6-38.7176.8-67.8-65.4-66.500113.1F29 L30 R31F29-M33 HydrophobicContact CD1-CG 4.44Å; F29-M33 HydrophobicContact CE1-CG 3.84Å; F29-M33 HydrophobicContact CE2-CG 4.07Å; F29-M33 HydrophobicContact CE2-SD 4.27Å; F29-M33 HydrophobicContact CZ-CG 3.62Å; F29-M33 HydrophobicContact CZ-SD 3.93Å; F29-M33 PolarHBondContact O-N 2.95Å; L30-M33 PolarHBondContact O-N 3.32Å; R31-M33 PolarHBondContact O-N 3.03Å
34F63.9Low64.4Low103 Ų10396.9 Ų96.945%0.45251%0.508SS..Hα-helixtrans-85.6-25.6-178.9-67.8-66.5000113.9L30 R31 N36 N37 L100L30-F34 HydrophobicContact CB-CD2 4.49Å; L30-F34 HydrophobicContact CB-CE2 4.37Å; L30-F34 HydrophobicContact CD2-CE2 3.99Å; L30-F34 WeakPolarHBondContact O-CD2 2.99Å; L30-F34 PolarHBondContact O-N 2.89Å; L30-F34 VanDerWaalsContact O-N 3.13Å; R31-F34 PolarHBondContact O-N 3.19Å; F34-N36 PolarHBondContact O-N 2.94Å; F34-N36 VanDerWaalsContact O-N 3.07Å; F34-N37 PolarHBondContact O-N 2.86Å; F34-N37 VanDerWaalsContact O-N 3.17Å; F34-L100 HydrophobicContact CE2-CD1 3.83Å; F34-L100 HydrophobicContact CE2-CD2 4.48Å; F34-L100 HydrophobicContact CE2-CG 4.47Å; F34-L100 HydrophobicContact CZ-CD1 3.68Å
35A60.7Low62.8Low74 Ų7499.1 Ų99.161%0.61253%0.526SS*.THydrogen-bonded Turntrans-58-21.6174.800000113.3R31R31-A35 VanDerWaalsContact O-CB 3.32Å; R31-A35 WeakPolarHBondContact O-CB 3.48Å; R31-A35 PolarHBondContact O-N 3.44Å
36N53.2Low62.3Low133 Ų13396.3 Ų96.371%0.71151%0.514SS*.THydrogen-bonded Turntrans-87.5-11-178.4-69.9-37000114.8S32 F34S32-N36 PolarHBondContact O-ND2 3.34Å; S32-N36 VanDerWaalsContact O-ND2 3.13Å; F34-N36 PolarHBondContact O-N 2.94Å; F34-N36 VanDerWaalsContact O-N 3.07Å
37N54.8Low62Low137 Ų137100.5 Ų100.573%0.73354%0.536SS*.THydrogen-bonded Turntrans-124.1-7.3-166.5-93.8-12.9000117.1F34F34-N37 PolarHBondContact O-N 2.86Å; F34-N37 VanDerWaalsContact O-N 3.17Å
38L50.5Low62.1Low137 Ų137102.5 Ų102.572%0.71754%0.543SS*.SBendtrans-143.7137.5171.7-99.5102000111.2Y40L38-Y40 PolarHBondContact O-N 2.72Å
39V51.8Low62.3Low151 Ų151102.6 Ų102.692%0.91555%0.547SS*.  trans-49.988.9153.7178.60000107.3
40Y46.6Very low62.9Low192 Ų192104.2 Ų104.275%0.75356%0.558SS**  trans-120.8105.2172.9-157.7-97000107.1L38 T42L38-Y40 PolarHBondContact O-N 2.72Å; Y40-T42 WeakPolarHBondContact O-CG2 3.23Å; Y40-T42 PolarHBondContact O-N 3.33Å
41D43.9Very low63.6Low136 Ų136104.4 Ų104.473%0.72756%0.559SS**  trans-43.9102.1165.3-167.810.1000108.6S43D41-S43 PolarHBondContact O-N 3.44Å
42T45.6Very low64.5Low122 Ų122101 Ų10175%0.74855%0.548SS*.  trans-76.864-178.752.70000108.8Y40 D44Y40-T42 WeakPolarHBondContact O-CG2 3.23Å; Y40-T42 PolarHBondContact O-N 3.33Å; T42-D44 PolarHBondContact O-N 2.88Å; T42-D44 VanDerWaalsContact O-N 3.08Å
43S47.1Very low65.6Low98 Ų98103 Ų10369%0.68555%0.553SS**  trans-80.692.3172.280.30000109.7D41 S45D41-S43 PolarHBondContact O-N 3.44Å; S43-S45 PolarHBondContact O-N 2.97Å
44D48.7Very low67Low165 Ų165102.2 Ų102.288%0.88255%0.55SS**SBend8611.5124.3-13326.2000120.1T42T42-D44 PolarHBondContact O-N 2.88Å; T42-D44 VanDerWaalsContact O-N 3.08Å
45S54.6Low68.5Low67 Ų6798.1 Ų98.147%0.46953%0.533SS..  trans-149.3109.1159.5-156.10000111.6S43 D47 L50S43-S45 PolarHBondContact O-N 2.97Å; S45-D47 PolarHBondContact O-N 3.01Å; S45-D47 VanDerWaalsContact O-N 3.16Å; S45-L50 VanDerWaalsContact OG-CD1 3.23Å; S45-L50 WeakPolarHBondContact OG-CD1 3.3Å; S45-L50 WeakPolarHBondContact OG-CD2 3.42Å; S45-L50 WeakPolarHBondContact OG-CG 3.27Å
46D72.9Confident70.1Confident58 Ų5899.8 Ų99.831%0.3153%0.528SS..  trans-65.9111.4170.3-94.30.4000108.6R31 Y48 H49 L50R31-D46 IonicContact CZ-OD1 2.99Å; R31-D46 IonicContact CZ-OD2 3.52Å; R31-D46 IonicContact NE-OD1 3.98Å; R31-D46 IonicContact NH1-OD1 2.94Å; R31-D46 PolarHBondContact NH1-OD1 2.86Å; R31-D46 IonicContact NH1-OD2 2.73Å; R31-D46 PolarHBondContact NH1-OD2 2.87Å; R31-D46 IonicContact NH2-OD1 2.67Å; R31-D46 PolarHBondContact NH2-OD1 3.32Å; R31-D46 IonicContact NH2-OD2 3.47Å; R31-D46 PolarHBondContact NH2-OD2 3.44Å; D46-Y48 CarbonylContact O-C 3.56Å; D46-Y48 PolarHBondContact O-N 3.04Å; D46-H49 HydrophobicContact CB-CB 3.97Å; D46-H49 WeakPolarHBondContact CB-CD2 3.42Å; D46-H49 WeakPolarHBondContact O-CA 3.43Å; D46-H49 WeakPolarHBondContact O-CB 3.31Å; D46-H49 PolarHBondContact O-N 3.36Å; D46-H49 IonicContact OD2-CD2 3.41Å; D46-H49 PolarHBondContact OD2-CD2 2.86Å; D46-H49 IonicContact OD2-NE2 3.94Å; D46-L50 PolarHBondContact O-N 3.18Å; D46-L50 VanDerWaalsContact O-N 3.08Å
47D78.4Confident72.1Confident99 Ų9995.1 Ų95.153%0.52951%0.511SS..Hα-helixtrans-47.3-34.2177-67-30.3000112.6V27 S45 L50 L51V27-D47 HydrophobicContact CG1-CB 3.91Å; S45-D47 PolarHBondContact O-N 3.01Å; S45-D47 VanDerWaalsContact O-N 3.16Å; D47-L50 PolarHBondContact O-N 3.41Å; D47-L51 VanDerWaalsContact O-CG 3.27Å; D47-L51 WeakPolarHBondContact O-CG 3.48Å; D47-L51 PolarHBondContact O-N 3.39Å
48Y85.2Confident74Confident55 Ų5588.7 Ų88.722%0.21648%0.477CS..Hα-helixtrans-61.4-46.8172.9176.1-94.9000112.9L24 R28 D46 L51 K52L24-Y48 HydrophobicContact CB-CE2 4.36Å; L24-Y48 HydrophobicContact CD2-CD2 4.47Å; L24-Y48 HydrophobicContact CD2-CE2 4.2Å; R28-Y48 VanDerWaalsContact NH2-CZ 3.27Å; R28-Y48 PolarHBondContact NH2-OH 2.84Å; D46-Y48 CarbonylContact O-C 3.56Å; D46-Y48 PolarHBondContact O-N 3.04Å; Y48-L51 PolarHBondContact O-N 3.17Å; Y48-K52 HydrophobicContact CD1-CG 4.26Å; Y48-K52 HydrophobicContact CE1-CD 4.46Å; Y48-K52 HydrophobicContact CE1-CG 3.73Å; Y48-K52 HydrophobicContact CE2-CD 4.45Å; Y48-K52 HydrophobicContact CE2-CG 4.27Å; Y48-K52 WeakPolarHBondContact O-CG 3.37Å; Y48-K52 PolarHBondContact O-N 2.88Å
49H86.9Confident76Confident104 Ų10486.2 Ų86.248%0.48146%0.461SS..Hα-helixtrans-64.8-41.4178.1-79.5-70.8000111D46 L51 K52 D53D46-H49 HydrophobicContact CB-CB 3.97Å; D46-H49 WeakPolarHBondContact CB-CD2 3.42Å; D46-H49 WeakPolarHBondContact O-CA 3.43Å; D46-H49 WeakPolarHBondContact O-CB 3.31Å; D46-H49 PolarHBondContact O-N 3.36Å; D46-H49 IonicContact OD2-CD2 3.41Å; D46-H49 PolarHBondContact OD2-CD2 2.86Å; D46-H49 IonicContact OD2-NE2 3.94Å; H49-L51 VanDerWaalsContact C-N 3.33Å; H49-L51 PolarHBondContact O-N 3.23Å; H49-K52 PolarHBondContact O-N 3.38Å; H49-D53 PolarHBondContact O-N 3.36Å
50L90Very high77.9Confident88 Ų8882.6 Ų82.646%0.46144%0.439SS..Hα-helixtrans-58.3-43.2173-70.5174.3000112.7S45 D46 D47 D53 L54S45-L50 VanDerWaalsContact OG-CD1 3.23Å; S45-L50 WeakPolarHBondContact OG-CD1 3.3Å; S45-L50 WeakPolarHBondContact OG-CD2 3.42Å; S45-L50 WeakPolarHBondContact OG-CG 3.27Å; D46-L50 PolarHBondContact O-N 3.18Å; D46-L50 VanDerWaalsContact O-N 3.08Å; D47-L50 PolarHBondContact O-N 3.41Å; L50-D53 PolarHBondContact O-N 3.05Å; L50-L54 WeakPolarHBondContact O-CB 3.32Å; L50-L54 PolarHBondContact O-N 3.09Å
51L91.3Very high80.1Confident11 Ų1177.1 Ų77.16%0.05842%0.423CS..Hα-helixtrans-66.9-36.9177.8-71.1173.5000112.2I20 L24 V27 D47 Y48 H49 L54 E55 F103 M107I20-L51 HydrophobicContact CG2-CB 4.31Å; I20-L51 HydrophobicContact CG2-CD2 4.42Å; I20-L51 WeakPolarHBondContact CG2-O 3.38Å; L24-L51 HydrophobicContact CD2-CB 3.89Å; V27-L51 HydrophobicContact CB-CD1 4.21Å; V27-L51 HydrophobicContact CG1-CD1 4.29Å; V27-L51 HydrophobicContact CG2-CD1 3.81Å; D47-L51 VanDerWaalsContact O-CG 3.27Å; D47-L51 WeakPolarHBondContact O-CG 3.48Å; D47-L51 PolarHBondContact O-N 3.39Å; Y48-L51 PolarHBondContact O-N 3.17Å; H49-L51 VanDerWaalsContact C-N 3.33Å; H49-L51 PolarHBondContact O-N 3.23Å; L51-L54 PolarHBondContact O-N 3.45Å; L51-E55 WeakPolarHBondContact O-CB 3.45Å; L51-E55 PolarHBondContact O-N 2.89Å; L51-F103 HydrophobicContact CD1-CE2 4Å; L51-F103 HydrophobicContact CD1-CZ 4.31Å; L51-F103 HydrophobicContact CD2-CE2 4.44Å; L51-M107 HydrophobicContact CD2-SD 3.72Å
52K92.3Very high82.3Confident53 Ų5371 Ų7123%0.2339%0.39CS..Hα-helixtrans-66.1-45.1174.6-73-62.1-62168.40111.9L24 Y48 H49 L54 E55 E56L24-K52 HydrophobicContact CD1-CD 4.03Å; L24-K52 HydrophobicContact CD2-CD 3.71Å; L24-K52 HydrophobicContact CD2-CG 4.14Å; Y48-K52 HydrophobicContact CD1-CG 4.26Å; Y48-K52 HydrophobicContact CE1-CD 4.46Å; Y48-K52 HydrophobicContact CE1-CG 3.73Å; Y48-K52 HydrophobicContact CE2-CD 4.45Å; Y48-K52 HydrophobicContact CE2-CG 4.27Å; Y48-K52 WeakPolarHBondContact O-CG 3.37Å; Y48-K52 PolarHBondContact O-N 2.88Å; H49-K52 PolarHBondContact O-N 3.38Å; K52-L54 VanDerWaalsContact C-N 3.26Å; K52-L54 PolarHBondContact O-N 2.98Å; K52-E55 WeakPolarHBondContact CD-OE2 3.42Å; K52-E55 WeakPolarHBondContact CE-OE2 3.49Å; K52-E55 IonicContact NZ-OE1 3.63Å; K52-E55 IonicContact NZ-OE2 2.68Å; K52-E55 PolarHBondContact NZ-OE2 3.33Å; K52-E55 WeakPolarHBondContact O-CB 3.39Å; K52-E55 PolarHBondContact O-N 3.39Å; K52-E56 WeakPolarHBondContact O-CG 3.35Å; K52-E56 PolarHBondContact O-N 3.47Å
53D93.8Very high84.2Confident103 Ų10366.7 Ų66.755%0.55137%0.369SS*.Hα-helixtrans-61.3-39.5177-69.1-9.6000111H49 L50 E56 G57H49-D53 PolarHBondContact O-N 3.36Å; L50-D53 PolarHBondContact O-N 3.05Å; D53-E56 PolarHBondContact O-N 2.85Å; D53-G57 PolarHBondContact O-N 3.33Å
54L95.3Very high86.1Confident60 Ų6070.9 Ų70.931%0.31437%0.37SS..Hα-helixtrans-67.5-40.4176.4-170.761.1000112.5I20 L50 L51 K52 G57 I58 V110 L114I20-L54 HydrophobicContact CD1-CB 4.31Å; I20-L54 HydrophobicContact CD1-CD2 3.56Å; I20-L54 HydrophobicContact CD1-CG 3.64Å; I20-L54 HydrophobicContact CG1-CD2 4.21Å; L50-L54 WeakPolarHBondContact O-CB 3.32Å; L50-L54 PolarHBondContact O-N 3.09Å; L51-L54 PolarHBondContact O-N 3.45Å; K52-L54 VanDerWaalsContact C-N 3.26Å; K52-L54 PolarHBondContact O-N 2.98Å; L54-G57 PolarHBondContact O-N 3.31Å; L54-I58 HydrophobicContact CD1-CD1 4.37Å; L54-I58 HydrophobicContact CG-CD1 4.06Å; L54-I58 VanDerWaalsContact O-CG1 3.32Å; L54-I58 WeakPolarHBondContact O-CG1 3.32Å; L54-I58 PolarHBondContact O-N 3.18Å; L54-V110 HydrophobicContact CD2-CG1 4.06Å; L54-L114 HydrophobicContact CD1-CD1 3.84Å; L54-L114 HydrophobicContact CD2-CD1 4.43Å
55E95.2Very high87.7Confident18 Ų1866.4 Ų66.48%0.08435%0.346CS..Hα-helixtrans-55.8-51.1172.8-173-162.6160.700110.9L17 I20 E21 L51 K52 G57 I58 Q59L17-E55 HydrophobicContact CD1-CB 4.39Å; L17-E55 HydrophobicContact CD1-CG 3.56Å; I20-E55 HydrophobicContact CG2-CB 4Å; E21-E55 HydrophobicContact CG-CG 4.39Å; L51-E55 WeakPolarHBondContact O-CB 3.45Å; L51-E55 PolarHBondContact O-N 2.89Å; K52-E55 WeakPolarHBondContact CD-OE2 3.42Å; K52-E55 WeakPolarHBondContact CE-OE2 3.49Å; K52-E55 IonicContact NZ-OE1 3.63Å; K52-E55 IonicContact NZ-OE2 2.68Å; K52-E55 PolarHBondContact NZ-OE2 3.33Å; K52-E55 WeakPolarHBondContact O-CB 3.39Å; K52-E55 PolarHBondContact O-N 3.39Å; E55-G57 PolarHBondContact O-N 3.01Å; E55-I58 PolarHBondContact O-N 3.48Å; E55-Q59 WeakPolarHBondContact O-CG 3.42Å; E55-Q59 PolarHBondContact O-N 3.09Å; E55-Q59 PolarHBondContact OE1-NE2 3.32Å
56E94.9Very high88.7Confident109 Ų10966.9 Ų66.951%0.50934%0.34SS..Hα-helixtrans-62.7-41.9179.6-70.7-178.2-169.400112K52 D53 Q59 T60K52-E56 WeakPolarHBondContact O-CG 3.35Å; K52-E56 PolarHBondContact O-N 3.47Å; D53-E56 PolarHBondContact O-N 2.85Å; E56-Q59 PolarHBondContact O-N 3.26Å; E56-T60 WeakPolarHBondContact O-CB 3.41Å; E56-T60 PolarHBondContact O-N 3.49Å; E56-T60 PolarHBondContact O-OG1 3.23Å
57G94.2Very high88.2Confident34 Ų3471.5 Ų71.535%0.35137%0.365SS..Hα-helixtrans-60.7-44.5175.400000112.6D53 L54 E55 T60 L61D53-G57 PolarHBondContact O-N 3.33Å; L54-G57 PolarHBondContact O-N 3.31Å; E55-G57 PolarHBondContact O-N 3.01Å; G57-T60 PolarHBondContact O-N 3Å; G57-L61 WeakPolarHBondContact O-CG 3.47Å; G57-L61 PolarHBondContact O-N 2.68Å
58I95.3Very high87Confident3 Ų370.3 Ų70.32%0.01538%0.376CS..Hα-helixtrans-67.6-44.4178.2-70.1167000111.3L13 L17 I20 L54 E55 T60 L61 M62 L114L13-I58 HydrophobicContact CB-CG2 4.13Å; L13-I58 HydrophobicContact CD2-CG2 4.23Å; L17-I58 HydrophobicContact CB-CG2 3.95Å; L17-I58 HydrophobicContact CD1-CG2 4.38Å; I20-I58 HydrophobicContact CD1-CD1 3.25Å; L54-I58 HydrophobicContact CD1-CD1 4.37Å; L54-I58 HydrophobicContact CG-CD1 4.06Å; L54-I58 VanDerWaalsContact O-CG1 3.32Å; L54-I58 WeakPolarHBondContact O-CG1 3.32Å; L54-I58 PolarHBondContact O-N 3.18Å; E55-I58 PolarHBondContact O-N 3.48Å; I58-T60 VanDerWaalsContact C-N 3.27Å; I58-T60 PolarHBondContact O-N 3.29Å; I58-L61 PolarHBondContact O-N 3.49Å; I58-L61 VanDerWaalsContact O-N 3.17Å; I58-M62 HydrophobicContact CG2-CG 4.31Å; I58-M62 HydrophobicContact CG2-SD 4.08Å; I58-M62 WeakPolarHBondContact O-CG 3.44Å; I58-M62 PolarHBondContact O-N 3.04Å; I58-L114 HydrophobicContact CD1-CD1 4.28Å; I58-L114 HydrophobicContact CD1-CD2 3.96Å; I58-L114 HydrophobicContact CG1-CD2 3.9Å
59Q93Very high85.3Confident85 Ų8570.6 Ų70.640%0.39739%0.387SS..Hα-helixtrans-58.5-41.5176.1-74173.3-5.500111.2L17 E55 E56 M62 G63L17-Q59 HydrophobicContact CD1-CG 3.87Å; L17-Q59 HydrophobicContact CD2-CG 3.99Å; E55-Q59 WeakPolarHBondContact O-CG 3.42Å; E55-Q59 PolarHBondContact O-N 3.09Å; E55-Q59 PolarHBondContact OE1-NE2 3.32Å; E56-Q59 PolarHBondContact O-N 3.26Å; Q59-M62 PolarHBondContact O-N 3.19Å; Q59-G63 PolarHBondContact O-N 2.88Å
60T91.6Very high83.3Confident74 Ų7477.5 Ų77.545%0.45441%0.408SS..Hα-helixtrans-61.6-44.9175.1-610000112.1E56 G57 I58 G63 R64E56-T60 WeakPolarHBondContact O-CB 3.41Å; E56-T60 PolarHBondContact O-N 3.49Å; E56-T60 PolarHBondContact O-OG1 3.23Å; G57-T60 PolarHBondContact O-N 3Å; I58-T60 VanDerWaalsContact C-N 3.27Å; I58-T60 PolarHBondContact O-N 3.29Å; T60-G63 PolarHBondContact O-N 3.33Å; T60-R64 WeakPolarHBondContact O-CG 3.46Å; T60-R64 PolarHBondContact O-N 3.09Å
61L91.1Very high81.4Confident77 Ų7783.4 Ų83.440%0.40342%0.424SS..Hα-helixtrans-64.2-41.3177.1-71.9173.6000112.1L13 G57 I58 R64 L65L13-L61 HydrophobicContact CD1-CB 4.01Å; L13-L61 HydrophobicContact CD2-CD1 4.3Å; G57-L61 WeakPolarHBondContact O-CG 3.47Å; G57-L61 PolarHBondContact O-N 2.68Å; I58-L61 PolarHBondContact O-N 3.49Å; I58-L61 VanDerWaalsContact O-N 3.17Å; L61-R64 PolarHBondContact O-N 3.46Å; L61-L65 WeakPolarHBondContact O-CG 3.33Å; L61-L65 PolarHBondContact O-N 3.17Å
62M90.6Very high79.1Confident9 Ų990 Ų904%0.04447%0.466CS..Hα-helixtrans-61.9-46.2176.4-72.2-178.959.500111.6L10 L13 R14 L17 I58 Q59 R64 L65 E66L10-M62 HydrophobicContact CD1-CB 4.07Å; L10-M62 HydrophobicContact CD1-CE 4.02Å; L10-M62 HydrophobicContact CD1-CG 3.99Å; L13-M62 HydrophobicContact CB-CG 3.64Å; L13-M62 HydrophobicContact CB-SD 4.13Å; L13-M62 HydrophobicContact CD1-CG 4Å; L13-M62 HydrophobicContact CG-CG 4.45Å; R14-M62 HydrophobicContact CB-CE 4.17Å; L17-M62 HydrophobicContact CD2-SD 4Å; I58-M62 HydrophobicContact CG2-CG 4.31Å; I58-M62 HydrophobicContact CG2-SD 4.08Å; I58-M62 WeakPolarHBondContact O-CG 3.44Å; I58-M62 PolarHBondContact O-N 3.04Å; Q59-M62 PolarHBondContact O-N 3.19Å; M62-R64 VanDerWaalsContact C-N 3.29Å; M62-R64 PolarHBondContact O-N 3.03Å; M62-L65 PolarHBondContact O-N 3.39Å; M62-E66 WeakPolarHBondContact O-CB 3.35Å; M62-E66 WeakPolarHBondContact O-CG 3.43Å; M62-E66 PolarHBondContact O-N 3.47Å
63G86.4Confident76.7Confident30 Ų3089.5 Ų89.531%0.30948%0.475SS..Hα-helixtrans-57-42.7177.500000112.5Q59 T60 L65 E66 D67Q59-G63 PolarHBondContact O-N 2.88Å; T60-G63 PolarHBondContact O-N 3.33Å; G63-L65 VanDerWaalsContact C-N 3.3Å; G63-L65 PolarHBondContact O-N 2.94Å; G63-E66 PolarHBondContact O-N 2.94Å; G63-D67 PolarHBondContact O-N 3.32Å; G63-D67 VanDerWaalsContact O-N 3.09Å
64R86.1Confident74.4Confident187 Ų18792.9 Ų92.971%0.70649%0.487SS*.Hα-helixtrans-64.3-31.6176.4-68.1176.9-175.7-172.62.7113.6T60 L61 M62T60-R64 WeakPolarHBondContact O-CG 3.46Å; T60-R64 PolarHBondContact O-N 3.09Å; L61-R64 PolarHBondContact O-N 3.46Å; M62-R64 VanDerWaalsContact C-N 3.29Å; M62-R64 PolarHBondContact O-N 3.03Å
65L82.5Confident72Confident70 Ų7097.4 Ų97.437%0.36651%0.511SS..Hα-helixtrans-82-32.4177.7-69.8169.6000112.2N9 L10 L13 L61 M62 G63 G68N9-L65 HydrophobicContact CB-CD1 4.45Å; L10-L65 HydrophobicContact CD1-CB 4.48Å; L13-L65 HydrophobicContact CD1-CD1 3.46Å; L13-L65 VanDerWaalsContact CD1-CD1 3.46Å; L61-L65 WeakPolarHBondContact O-CG 3.33Å; L61-L65 PolarHBondContact O-N 3.17Å; M62-L65 PolarHBondContact O-N 3.39Å; G63-L65 VanDerWaalsContact C-N 3.3Å; G63-L65 PolarHBondContact O-N 2.94Å; L65-G68 PolarHBondContact O-N 3.21Å
66E76.7Confident69.7Low77 Ų77101.7 Ų101.736%0.3653%0.534SS..Hα-helixtrans-74.6-29178.6-74.3-178.8177.700113.2L10 M62 G63 G68 S69L10-E66 HydrophobicContact CD1-CG 3.91Å; L10-E66 HydrophobicContact CD2-CG 3.94Å; M62-E66 WeakPolarHBondContact O-CB 3.35Å; M62-E66 WeakPolarHBondContact O-CG 3.43Å; M62-E66 PolarHBondContact O-N 3.47Å; G63-E66 PolarHBondContact O-N 2.94Å; E66-G68 PolarHBondContact O-N 3.45Å; E66-S69 CarbonylContact O-C 3.28Å; E66-S69 VanDerWaalsContact O-C 3.28Å; E66-S69 PolarHBondContact O-N 3.29Å
67D61.6Low67.2Low155 Ų155105.4 Ų105.483%0.82955%0.548SS*.THydrogen-bonded Turntrans-59.5-13.6172.2-82.2-19.5000113.2G63G63-D67 PolarHBondContact O-N 3.32Å; G63-D67 VanDerWaalsContact O-N 3.09Å
68G52.5Low65Low74 Ų74108.8 Ų108.876%0.76355%0.554SS**THydrogen-bonded Turntrans-101.9-9.9169.500000115.7L65 E66L65-G68 PolarHBondContact O-N 3.21Å; E66-G68 PolarHBondContact O-N 3.45Å
69S50Low62.9Low62 Ų62114.4 Ų114.443%0.43459%0.589SS.*  trans-153.3102-174.1166.80000112.1E66 R71E66-S69 CarbonylContact O-C 3.28Å; E66-S69 VanDerWaalsContact O-C 3.28Å; E66-S69 PolarHBondContact O-N 3.29Å; S69-R71 PolarHBondContact O-N 2.97Å
70R44.3Very low60.7Low248 Ų248113.9 Ų113.994%0.93658%0.584SS**  trans-65.893.8169.9-77.4177.5156175.6-5.5111.5
71R51.4Low58.7Low212 Ų212115.4 Ų115.480%0.860%0.598SS**  trans-144.1105.3159.8-101.8-178.8-177.9-1760.6111.3S69 G73S69-R71 PolarHBondContact O-N 2.97Å; R71-G73 PolarHBondContact O-N 3.01Å
72T42.3Very low56.6Low151 Ų151120.5 Ų120.593%0.92662%0.616SS**  trans-57.7109.6169.7-50.10000110.6
73G42.8Very low54.9Low41 Ų41124.3 Ų124.342%0.42363%0.633SS.*  trans-87.5129.7172.800000111.9R14 R71R14-G73 PolarHBondContact NH2-O 2.88Å; R71-G73 PolarHBondContact O-N 3.01Å
74Q45.9Very low53.2Low174 Ų174129.6 Ų129.681%0.81365%0.654SS**  trans-51.2145.9-177.7-70170.8-2.500113.3R14 L76R14-Q74 PolarHBondContact NH2-O 3.46Å; R14-Q74 VanDerWaalsContact NH2-O 3.14Å; Q74-L76 PolarHBondContact O-N 3.48Å
75I43.1Very low51.6Low156 Ų156124.2 Ų124.280%0.864%0.642SS**  trans-73104.4170.9-62.8171.8000106.8K77I75-K77 PolarHBondContact O-N 2.95Å
76L46.8Very low50Low108 Ų108127.6 Ų127.657%0.56566%0.661SS**  trans-74.2113.2172-141.696.2000107.5L18 Q74 Q78L18-L76 HydrophobicContact CD1-CB 3.63Å; L18-L76 HydrophobicContact CD1-CD2 4.11Å; L18-L76 HydrophobicContact CD1-CG 4.32Å; L18-L76 HydrophobicContact CD2-CB 3.78Å; L18-L76 HydrophobicContact CG-CB 4.36Å; Q74-L76 PolarHBondContact O-N 3.48Å; L76-Q78 PolarHBondContact O-N 3.41Å; L76-Q78 VanDerWaalsContact O-N 3.12Å
77K43.3Very low48.7Very low186 Ų186125.9 Ų125.981%0.80966%0.657SS**  trans-62.5113.7-177.8-161.3175.8-176.3178.20109.5I75 T79I75-K77 PolarHBondContact O-N 2.95Å; K77-T79 PolarHBondContact O-N 3.36Å; K77-T79 PolarHBondContact O-OG1 2.97Å
78Q47.3Very low48.3Very low105 Ų105127.7 Ų127.749%0.49166%0.66SS.*  trans-49.4127.6179.9-70.2-168.5-23.100111.9E21 L76E21-Q78 PolarHBondContact O-NE2 3.02Å; L76-Q78 PolarHBondContact O-N 3.41Å; L76-Q78 VanDerWaalsContact O-N 3.12Å
79T50.9Low48.5Very low121 Ų121128.7 Ų128.774%0.74265%0.648SS**SBendtrans-100.7-13.4-175.6-31.60000113.2K77 S81K77-T79 PolarHBondContact O-N 3.36Å; K77-T79 PolarHBondContact O-OG1 2.97Å; T79-S81 PolarHBondContact O-N 3.48Å
80Y48.6Very low48.8Very low75 Ų75133.2 Ų133.229%0.29466%0.662SS.*G310 helixtrans-84.1-1.6-177.3-84.6-81.4000115.2W23 K82 F83 L99W23-Y80 HydrophobicContact CZ2-CE1 4.49Å; Y80-K82 PolarHBondContact O-N 2.91Å; Y80-F83 HydrophobicContact CD1-CD2 4.47Å; Y80-L99 HydrophobicContact CE1-CD1 4.34Å
81S48.8Very low49.9Very low105 Ų105125.4 Ų125.473%0.73464%0.639SS**G310 helixtrans-62.9-1.7178.31310000114.9T79T79-S81 PolarHBondContact O-N 3.48Å
82K47.3Very low50.8Low184 Ų184116.3 Ų116.380%0.861%0.609SS**G310 helixtrans-118.834.7-172.9-63.3-171.8178.7-175.80114.1Y80 D84Y80-K82 PolarHBondContact O-N 2.91Å; K82-D84 PolarHBondContact O-N 2.86Å
83F54.5Low52.2Low89 Ų89114.9 Ų114.939%0.3960%0.595SS.*  trans-77104166.1-116.9-95000109.1Y80 T85 K95 L99Y80-F83 HydrophobicContact CD1-CD2 4.47Å; F83-T85 PolarHBondContact O-N 3.45Å; F83-K95 HydrophobicContact CE1-CB 4.42Å; F83-L99 HydrophobicContact CD1-CD2 4.48Å; F83-L99 HydrophobicContact CD2-CD1 4.17Å; F83-L99 HydrophobicContact CE1-CD2 4.42Å; F83-L99 HydrophobicContact CE2-CD1 3.77Å; F83-L99 HydrophobicContact CZ-CB 4.37Å; F83-L99 HydrophobicContact CZ-CD1 3.95Å
84D49.9Very low53.7Low141 Ų141119 Ų11975%0.75461%0.607SS**  trans-79.7101177.4-138.9-15.3000108.4K82 N86K82-D84 PolarHBondContact O-N 2.86Å; D84-N86 VanDerWaalsContact C-N 3.34Å
85T53.6Low55.2Low74 Ų74115.7 Ų115.745%0.45459%0.59SS.*  trans-88.72.3-168.146.30000113.8F29 F83 S87F29-T85 HydrophobicContact CD1-CG2 3.99Å; F29-T85 HydrophobicContact CD2-CG2 3.92Å; F29-T85 HydrophobicContact CE1-CG2 3.5Å; F29-T85 VanDerWaalsContact CE1-CG2 3.5Å; F29-T85 HydrophobicContact CE2-CG2 3.42Å; F29-T85 VanDerWaalsContact CE2-CG2 3.42Å; F29-T85 HydrophobicContact CG-CG2 4.18Å; F29-T85 HydrophobicContact CZ-CG2 3.2Å; F83-T85 PolarHBondContact O-N 3.45Å; T85-S87 PolarHBondContact O-N 2.88Å
86N49.4Very low56.8Low141 Ų141109 Ų10975%0.75456%0.556SS**  trans-9118.4-164.4-156.827.8000116.3D84D84-N86 VanDerWaalsContact C-N 3.34Å
87S48.5Very low58.5Low42 Ų42111.3 Ų111.329%0.29456%0.558SS.*  trans-104.497.8174.870.20000111.2T85 N89 A92T85-S87 PolarHBondContact O-N 2.88Å; S87-N89 PolarHBondContact O-N 3.4Å; S87-A92 VanDerWaalsContact O-CB 3.24Å; S87-A92 WeakPolarHBondContact O-CB 3.4Å
88H53.2Low60.5Low193 Ų193103.9 Ų103.989%0.89453%0.534SS*.  trans-68.367.3166.7-78.7-71.2000111.1
89N57Low62.2Low95 Ų9599 Ų9951%0.50851%0.511SS..SBendtrans-135.3163.7178.9-158.520.2000110.5S87 D91 A92S87-N89 PolarHBondContact O-N 3.4Å; N89-D91 HydrophobicContact CB-CB 4.47Å; N89-D91 PolarHBondContact ND2-OD2 2.94Å; N89-D91 PolarHBondContact O-N 3.23Å; N89-A92 WeakPolarHBondContact O-CB 3.44Å; N89-A92 PolarHBondContact O-N 3.29Å
90H56.6Low63.9Low156 Ų15696.5 Ų96.572%0.72249%0.493SS*.Hα-helixtrans-53.1-24.8173.5-81-38.2000113.2A92 L93 L94H90-A92 PolarHBondContact O-N 2.9Å; H90-L93 PolarHBondContact O-N 3.23Å; H90-L94 PolarHBondContact O-N 2.9Å
91D67.1Low65.7Low84 Ų8497.3 Ų97.345%0.44950%0.496SS..Hα-helixtrans-58.8-29.5171.4-59.7-35.3000113.7N89 K95N89-D91 HydrophobicContact CB-CB 4.47Å; N89-D91 PolarHBondContact ND2-OD2 2.94Å; N89-D91 PolarHBondContact O-N 3.23Å; D91-K95 WeakPolarHBondContact O-CB 3.32Å; D91-K95 WeakPolarHBondContact O-CD 3.27Å; D91-K95 WeakPolarHBondContact O-CG 3.43Å; D91-K95 PolarHBondContact O-N 3.36Å
92A69.9Low67.8Low21 Ų2194.5 Ų94.517%0.17448%0.476CS..Hα-helixtrans-70.6-37.6178.600000112.6S87 N89 H90 K95 N96S87-A92 VanDerWaalsContact O-CB 3.24Å; S87-A92 WeakPolarHBondContact O-CB 3.4Å; N89-A92 WeakPolarHBondContact O-CB 3.44Å; N89-A92 PolarHBondContact O-N 3.29Å; H90-A92 PolarHBondContact O-N 2.9Å; A92-K95 PolarHBondContact O-N 3.4Å; A92-N96 VanDerWaalsContact O-CB 3.27Å; A92-N96 WeakPolarHBondContact O-CB 3.34Å; A92-N96 PolarHBondContact O-N 3.45Å; A92-N96 PolarHBondContact O-ND2 3.25Å; A92-N96 PolarHBondContact O-OD1 3.12Å
93L71.6Confident69.9Low121 Ų12187.9 Ų87.963%0.63445%0.447SS*.Hα-helixtrans-64-44.1175.8-75.6170.4000111.1H90 N96 Y97H90-L93 PolarHBondContact O-N 3.23Å; L93-N96 PolarHBondContact O-N 2.91Å; L93-Y97 WeakPolarHBondContact O-CB 3.12Å; L93-Y97 PolarHBondContact O-N 3.14Å
94L75.3Confident71.7Confident128 Ų12890.3 Ų90.367%0.6745%0.454SS*.Hα-helixtrans-66.5-41.2178.1-171.565.3000111.7H90 Y97 G98H90-L94 PolarHBondContact O-N 2.9Å; L94-Y97 PolarHBondContact O-N 3.3Å; L94-G98 PolarHBondContact O-N 3.43Å
95K75.9Confident73.8Confident104 Ų10488.1 Ų88.145%0.45244%0.438SS..Hα-helixtrans-62.1-42.3173.6-75.2171.2-176.4177.90112F83 D91 A92 G98 L99F83-K95 HydrophobicContact CE1-CB 4.42Å; D91-K95 WeakPolarHBondContact O-CB 3.32Å; D91-K95 WeakPolarHBondContact O-CD 3.27Å; D91-K95 WeakPolarHBondContact O-CG 3.43Å; D91-K95 PolarHBondContact O-N 3.36Å; A92-K95 PolarHBondContact O-N 3.4Å; K95-G98 PolarHBondContact O-N 3.11Å; K95-L99 WeakPolarHBondContact O-CB 3.23Å; K95-L99 PolarHBondContact O-N 3.28Å
96N76.9Confident75.8Confident16 Ų1685.2 Ų85.29%0.08642%0.419CS..Hα-helixtrans-65.8-41.2177.4-69.7-17.7000111.6L30 A92 L93 G98 L99 L100L30-N96 HydrophobicContact CD2-CB 4.36Å; A92-N96 VanDerWaalsContact O-CB 3.27Å; A92-N96 WeakPolarHBondContact O-CB 3.34Å; A92-N96 PolarHBondContact O-N 3.45Å; A92-N96 PolarHBondContact O-ND2 3.25Å; A92-N96 PolarHBondContact O-OD1 3.12Å; L93-N96 PolarHBondContact O-N 2.91Å; N96-G98 VanDerWaalsContact C-N 3.35Å; N96-L99 WeakPolarHBondContact O-CB 3.32Å; N96-L99 PolarHBondContact O-N 3.42Å; N96-L100 PolarHBondContact O-N 3.37Å
97Y82.4Confident78Confident157 Ų15780.2 Ų80.262%0.61639%0.392SS*.Hα-helixtrans-62.2-43.3173-177.6-93.3000111.7L93 L94 L99 L100 Y101L93-Y97 WeakPolarHBondContact O-CB 3.12Å; L93-Y97 PolarHBondContact O-N 3.14Å; L94-Y97 PolarHBondContact O-N 3.3Å; Y97-L99 VanDerWaalsContact C-N 3.28Å; Y97-L99 PolarHBondContact O-N 2.95Å; Y97-L100 PolarHBondContact O-N 2.95Å; Y97-Y101 WeakPolarHBondContact O-CB 3.48Å; Y97-Y101 PolarHBondContact O-N 3.49Å
98G84.8Confident80.3Confident29 Ų2982.1 Ų82.130%0.29940%0.399SS..Hα-helixtrans-58.4-41173.600000112.3L94 K95 N96 Y101 C102L94-G98 PolarHBondContact O-N 3.43Å; K95-G98 PolarHBondContact O-N 3.11Å; N96-G98 VanDerWaalsContact C-N 3.35Å; G98-Y101 PolarHBondContact O-N 3.22Å; G98-C102 PolarHBondContact O-N 3.39Å; G98-C102 PolarHBondContact O-SG 2.95Å
99L84.6Confident82.3Confident4 Ų477.6 Ų77.62%0.02138%0.376CS..Hα-helixtrans-65.6-45.8176.8-170.268.2000111.5W23 P26 L30 Y80 F83 K95 N96 Y97 Y101 C102 F103W23-L99 HydrophobicContact CH2-CD1 3.4Å; W23-L99 VanDerWaalsContact CH2-CD1 3.4Å; W23-L99 HydrophobicContact CH2-CG 3.88Å; W23-L99 WeakPolarHBondContact CH2-O 3.41Å; W23-L99 HydrophobicContact CZ3-CD1 3.49Å; W23-L99 VanDerWaalsContact CZ3-CD1 3.49Å; W23-L99 HydrophobicContact CZ3-CG 3.69Å; P26-L99 HydrophobicContact CB-CD1 4.44Å; P26-L99 HydrophobicContact CB-CD2 4.16Å; L30-L99 HydrophobicContact CD1-CD2 3.82Å; L30-L99 HydrophobicContact CD1-CG 4.05Å; L30-L99 HydrophobicContact CD2-CD2 3.99Å; L30-L99 HydrophobicContact CG-CD2 3.9Å; Y80-L99 HydrophobicContact CE1-CD1 4.34Å; F83-L99 HydrophobicContact CD1-CD2 4.48Å; F83-L99 HydrophobicContact CD2-CD1 4.17Å; F83-L99 HydrophobicContact CE1-CD2 4.42Å; F83-L99 HydrophobicContact CE2-CD1 3.77Å; F83-L99 HydrophobicContact CZ-CB 4.37Å; F83-L99 HydrophobicContact CZ-CD1 3.95Å; K95-L99 WeakPolarHBondContact O-CB 3.23Å; K95-L99 PolarHBondContact O-N 3.28Å; N96-L99 WeakPolarHBondContact O-CB 3.32Å; N96-L99 PolarHBondContact O-N 3.42Å; Y97-L99 VanDerWaalsContact C-N 3.28Å; Y97-L99 PolarHBondContact O-N 2.95Å; L99-Y101 VanDerWaalsContact C-N 3.31Å; L99-Y101 PolarHBondContact O-N 3.18Å; L99-C102 PolarHBondContact O-N 2.68Å; L99-F103 PolarHBondContact O-N 2.79Å
100L85.8Confident84.1Confident67 Ų6773.2 Ų73.235%0.35135%0.353SS..Hα-helixtrans-60.4-39.6173.6-74.5170000112.7L30 F34 N96 Y97 F103 R104L30-L100 HydrophobicContact CD1-CD2 3.87Å; L30-L100 HydrophobicContact CD1-CG 4.27Å; L30-L100 HydrophobicContact CD2-CG 4.32Å; F34-L100 HydrophobicContact CE2-CD1 3.83Å; F34-L100 HydrophobicContact CE2-CD2 4.48Å; F34-L100 HydrophobicContact CE2-CG 4.47Å; F34-L100 HydrophobicContact CZ-CD1 3.68Å; N96-L100 PolarHBondContact O-N 3.37Å; Y97-L100 PolarHBondContact O-N 2.95Å; L100-F103 WeakPolarHBondContact O-CB 3.45Å; L100-F103 PolarHBondContact O-N 2.99Å; L100-R104 PolarHBondContact O-N 2.96Å
101Y87.8Confident86Confident93 Ų9370.1 Ų70.137%0.36534%0.339SS..Hα-helixtrans-64.3-42.4176.4177.3-97000112Y97 G98 L99 K105Y97-Y101 WeakPolarHBondContact O-CB 3.48Å; Y97-Y101 PolarHBondContact O-N 3.49Å; G98-Y101 PolarHBondContact O-N 3.22Å; L99-Y101 VanDerWaalsContact C-N 3.31Å; L99-Y101 PolarHBondContact O-N 3.18Å; Y101-K105 HydrophobicContact CD1-CD 4.26Å; Y101-K105 HydrophobicContact CE1-CD 3.62Å; Y101-K105 VanDerWaalsContact CE1-CE 3.4Å; Y101-K105 HydrophobicContact CE1-CG 4.33Å; Y101-K105 PolarHBondContact O-N 2.74Å; Y101-K105 VanDerWaalsContact O-N 3.09Å; Y101-K105 WeakPolarHBondContact OH-CE 3.48Å; Y101-K105 PolarHBondContact OH-NZ 3.22Å
102C91.6Very high87.4Confident46 Ų4669.7 Ų69.731%0.31134%0.34SS..Hα-helixtrans-64.5-41.8173.8-70.80000111.5W23 G98 L99 R104 K105 D106W23-C102 HydrophobicContact CH2-CB 3.86Å; W23-C102 VanDerWaalsContact CZ2-C 3.46Å; W23-C102 HydrophobicContact CZ2-CB 3.71Å; G98-C102 PolarHBondContact O-N 3.39Å; G98-C102 PolarHBondContact O-SG 2.95Å; L99-C102 PolarHBondContact O-N 2.68Å; C102-R104 PolarHBondContact O-N 3.16Å; C102-K105 PolarHBondContact O-N 2.88Å; C102-D106 WeakPolarHBondContact O-CB 3.09Å; C102-D106 PolarHBondContact O-N 3.49Å
103F90.6Very high88.6Confident44 Ų4469.6 Ų69.619%0.19334%0.335CS..Hα-helixtrans-55.7-53.2176.3176.5-112.7000110.7W23 V27 L51 L99 L100 K105 D106 M107W23-F103 HydrophobicContact CB-CD2 4.15Å; W23-F103 HydrophobicContact CB-CE2 4.23Å; W23-F103 HydrophobicContact CD2-CB 4.2Å; W23-F103 AromaticContact CD2-CD2 3.57Å; W23-F103 HydrophobicContact CD2-CD2 3.57Å; W23-F103 HydrophobicContact CD2-CE2 4.49Å; W23-F103 HydrophobicContact CD2-CG 4.38Å; W23-F103 HydrophobicContact CE3-CB 3.89Å; W23-F103 AromaticContact CE3-CD2 3.61Å; W23-F103 HydrophobicContact CE3-CD2 3.61Å; W23-F103 HydrophobicContact CE3-CG 4.16Å; W23-F103 AromaticContact CG-CD2 3.77Å; W23-F103 HydrophobicContact CG-CD2 3.77Å; W23-F103 HydrophobicContact CG-CE2 4.29Å; W23-F103 HydrophobicContact CH2-CB 3.73Å; W23-F103 VanDerWaalsContact CH2-N 3.3Å; W23-F103 VanDerWaalsContact CZ2-CA 3.41Å; W23-F103 HydrophobicContact CZ2-CB 4.02Å; W23-F103 HydrophobicContact CZ3-CB 3.64Å; W23-F103 HydrophobicContact CZ3-CD2 4.26Å; W23-F103 HydrophobicContact CZ3-CG 4.38Å; V27-F103 HydrophobicContact CG2-CD2 3.92Å; V27-F103 HydrophobicContact CG2-CE2 3.62Å; V27-F103 HydrophobicContact CG2-CZ 4.05Å; L51-F103 HydrophobicContact CD1-CE2 4Å; L51-F103 HydrophobicContact CD1-CZ 4.31Å; L51-F103 HydrophobicContact CD2-CE2 4.44Å; L99-F103 PolarHBondContact O-N 2.79Å; L100-F103 WeakPolarHBondContact O-CB 3.45Å; L100-F103 PolarHBondContact O-N 2.99Å; F103-K105 VanDerWaalsContact C-N 3.35Å; F103-K105 PolarHBondContact O-N 3.08Å; F103-D106 PolarHBondContact O-N 3.29Å; F103-M107 HydrophobicContact CD1-CG 4.47Å; F103-M107 HydrophobicContact CD2-CE 4.36Å; F103-M107 HydrophobicContact CD2-CG 3.94Å; F103-M107 HydrophobicContact CE1-CG 4.13Å; F103-M107 HydrophobicContact CE2-CE 4.1Å; F103-M107 HydrophobicContact CE2-CG 3.55Å; F103-M107 HydrophobicContact CE2-SD 3.87Å; F103-M107 HydrophobicContact CG-CG 4.4Å; F103-M107 HydrophobicContact CZ-CG 3.66Å; F103-M107 HydrophobicContact CZ-SD 4.25Å; F103-M107 WeakPolarHBondContact O-CG 3.31Å; F103-M107 PolarHBondContact O-N 3.18Å
104R93Very high89.7Confident140 Ų14065.8 Ų65.853%0.52832%0.315SS..Hα-helixtrans-54.7-50.2176.8-174.9-179.566.61760.1111.7L100 C102 D106 M107 D108L100-R104 PolarHBondContact O-N 2.96Å; C102-R104 PolarHBondContact O-N 3.16Å; R104-D106 VanDerWaalsContact C-N 3.32Å; R104-D106 PolarHBondContact O-N 2.67Å; R104-M107 PolarHBondContact O-N 2.94Å; R104-D108 PolarHBondContact O-N 3.08Å
105K95.4Very high90.5Very high96 Ų9666.3 Ų66.342%0.41731%0.308SS..Hα-helixtrans-60.7-38.9-180-86.2-168.2167.2175.90113.7Y101 C102 F103 K109Y101-K105 HydrophobicContact CD1-CD 4.26Å; Y101-K105 HydrophobicContact CE1-CD 3.62Å; Y101-K105 VanDerWaalsContact CE1-CE 3.4Å; Y101-K105 HydrophobicContact CE1-CG 4.33Å; Y101-K105 PolarHBondContact O-N 2.74Å; Y101-K105 VanDerWaalsContact O-N 3.09Å; Y101-K105 WeakPolarHBondContact OH-CE 3.48Å; Y101-K105 PolarHBondContact OH-NZ 3.22Å; C102-K105 PolarHBondContact O-N 2.88Å; F103-K105 VanDerWaalsContact C-N 3.35Å; F103-K105 PolarHBondContact O-N 3.08Å; K105-K109 WeakPolarHBondContact O-CG 3.3Å; K105-K109 PolarHBondContact O-N 3.43Å
106D94.7Very high91.3Very high13 Ų1363.3 Ų63.37%0.0730%0.296CS..Hα-helixtrans-75.3-36.2-179.6-74-18.6000111L19 W23 C102 F103 R104 K109 V110L19-D106 HydrophobicContact CD2-CB 4.13Å; W23-D106 PolarHBondContact NE1-OD2 3.42Å; C102-D106 WeakPolarHBondContact O-CB 3.09Å; C102-D106 PolarHBondContact O-N 3.49Å; F103-D106 PolarHBondContact O-N 3.29Å; R104-D106 VanDerWaalsContact C-N 3.32Å; R104-D106 PolarHBondContact O-N 2.67Å; D106-K109 WeakPolarHBondContact O-CB 3.29Å; D106-K109 PolarHBondContact O-N 3.29Å; D106-K109 IonicContact OD1-NZ 2.84Å; D106-K109 PolarHBondContact OD1-NZ 3.35Å; D106-V110 WeakPolarHBondContact O-CG2 3.38Å; D106-V110 PolarHBondContact O-N 3.45Å
107M95.5Very high92Very high36 Ų3663.2 Ų63.218%0.17730%0.296CS..Hα-helixtrans-66-38.5172.4-65.8-53.7102.800112.1W23 L51 F103 R104 K109 V110 E111W23-M107 HydrophobicContact CB-CE 4.5Å; W23-M107 HydrophobicContact CG-CE 4.2Å; L51-M107 HydrophobicContact CD2-SD 3.72Å; F103-M107 HydrophobicContact CD1-CG 4.47Å; F103-M107 HydrophobicContact CD2-CE 4.36Å; F103-M107 HydrophobicContact CD2-CG 3.94Å; F103-M107 HydrophobicContact CE1-CG 4.13Å; F103-M107 HydrophobicContact CE2-CE 4.1Å; F103-M107 HydrophobicContact CE2-CG 3.55Å; F103-M107 HydrophobicContact CE2-SD 3.87Å; F103-M107 HydrophobicContact CG-CG 4.4Å; F103-M107 HydrophobicContact CZ-CG 3.66Å; F103-M107 HydrophobicContact CZ-SD 4.25Å; F103-M107 WeakPolarHBondContact O-CG 3.31Å; F103-M107 PolarHBondContact O-N 3.18Å; R104-M107 PolarHBondContact O-N 2.94Å; M107-K109 VanDerWaalsContact C-N 3.25Å; M107-K109 PolarHBondContact O-N 2.83Å; M107-V110 HydrophobicContact CE-CG2 4.19Å; M107-V110 PolarHBondContact O-N 3.36Å; M107-V110 VanDerWaalsContact O-N 3.15Å; M107-E111 PolarHBondContact O-N 3.34Å
108D95.9Very high92.3Very high82 Ų8260.4 Ų60.444%0.43929%0.289SS..Hα-helixtrans-58.3-39172.6-66.1-22.6000111.4R104 T112R104-D108 PolarHBondContact O-N 3.08Å; D108-T112 WeakPolarHBondContact O-CB 3.36Å; D108-T112 PolarHBondContact O-N 2.84Å; D108-T112 PolarHBondContact O-OG1 3.13Å
109K95.3Very high92.5Very high97 Ų9761.3 Ų61.342%0.42229%0.29SS..Hα-helixtrans-68-45.3174.8-68.9172-163.4152.60111.7L19 K105 D106 M107 T112 F113L19-K109 HydrophobicContact CD1-CB 4.24Å; L19-K109 HydrophobicContact CD1-CD 4.5Å; K105-K109 WeakPolarHBondContact O-CG 3.3Å; K105-K109 PolarHBondContact O-N 3.43Å; D106-K109 WeakPolarHBondContact O-CB 3.29Å; D106-K109 PolarHBondContact O-N 3.29Å; D106-K109 IonicContact OD1-NZ 2.84Å; D106-K109 PolarHBondContact OD1-NZ 3.35Å; M107-K109 VanDerWaalsContact C-N 3.25Å; M107-K109 PolarHBondContact O-N 2.83Å; K109-T112 PolarHBondContact O-N 2.96Å; K109-F113 HydrophobicContact CB-CE2 4.45Å; K109-F113 HydrophobicContact CB-CZ 4.49Å; K109-F113 WeakPolarHBondContact O-CB 3.42Å; K109-F113 WeakPolarHBondContact O-CD1 3.35Å; K109-F113 VanDerWaalsContact O-CG 3.22Å; K109-F113 WeakPolarHBondContact O-CG 3.39Å; K109-F113 PolarHBondContact O-N 3Å
110V96.3Very high92.7Very high4 Ų465.9 Ų65.92%0.02431%0.307CS..Hα-helixtrans-56.9-50.8177.6168.60000109.6L19 I20 L54 D106 M107 T112 F113 L114L19-V110 HydrophobicContact CB-CG2 3.79Å; L19-V110 HydrophobicContact CD1-CG2 3.86Å; L19-V110 HydrophobicContact CG-CG2 4.48Å; I20-V110 HydrophobicContact CD1-CG1 4.03Å; I20-V110 HydrophobicContact CG1-CG1 4.33Å; I20-V110 HydrophobicContact CG1-CG2 4.29Å; L54-V110 HydrophobicContact CD2-CG1 4.06Å; D106-V110 WeakPolarHBondContact O-CG2 3.38Å; D106-V110 PolarHBondContact O-N 3.45Å; M107-V110 HydrophobicContact CE-CG2 4.19Å; M107-V110 PolarHBondContact O-N 3.36Å; M107-V110 VanDerWaalsContact O-N 3.15Å; V110-T112 VanDerWaalsContact C-N 3.33Å; V110-T112 PolarHBondContact O-N 3.21Å; V110-F113 PolarHBondContact O-N 3.45Å; V110-L114 HydrophobicContact CG1-CD1 3.84Å; V110-L114 HydrophobicContact CG1-CG 4.28Å; V110-L114 VanDerWaalsContact O-CG 3.3Å; V110-L114 WeakPolarHBondContact O-CG 3.4Å; V110-L114 PolarHBondContact O-N 2.89Å
111E95.8Very high92.6Very high91 Ų9166.1 Ų66.143%0.42531%0.314SS..Hα-helixtrans-56.3-48.5177.2-173.4-171.6170.600111.2M107 F113 L114 R115M107-E111 PolarHBondContact O-N 3.34Å; E111-F113 VanDerWaalsContact C-N 3.31Å; E111-F113 PolarHBondContact O-N 3.29Å; E111-L114 PolarHBondContact O-N 3.19Å; E111-R115 HydrophobicContact CG-CG 4.49Å; E111-R115 WeakPolarHBondContact O-CB 3.39Å; E111-R115 WeakPolarHBondContact O-CG 3.48Å; E111-R115 PolarHBondContact O-N 2.86Å; E111-R115 IonicContact OE1-CZ 3.25Å; E111-R115 VanDerWaalsContact OE1-CZ 3.25Å; E111-R115 IonicContact OE1-NE 2.85Å; E111-R115 PolarHBondContact OE1-NE 3.08Å; E111-R115 IonicContact OE1-NH2 2.76Å; E111-R115 PolarHBondContact OE1-NH2 3.24Å
112T95.6Very high92.4Very high75 Ų7565.5 Ų65.546%0.4632%0.32SS..Hα-helixtrans-58.5-43.2179.3-59.90000111.7D108 K109 V110 M116D108-T112 WeakPolarHBondContact O-CB 3.36Å; D108-T112 PolarHBondContact O-N 2.84Å; D108-T112 PolarHBondContact O-OG1 3.13Å; K109-T112 PolarHBondContact O-N 2.96Å; V110-T112 VanDerWaalsContact C-N 3.33Å; V110-T112 PolarHBondContact O-N 3.21Å; T112-M116 HydrophobicContact CG2-CE 4.11Å; T112-M116 WeakPolarHBondContact O-CG 3.48Å; T112-M116 PolarHBondContact O-N 3.41Å
113F94.9Very high91.5Very high19 Ų1972.8 Ų72.88%0.08335%0.349CS..Hα-helixtrans-68.5-43.4-180-68.2-6.3000112.1T4 L12 I15 S16 K109 V110 E111 M116 V117T4-F113 HydrophobicContact CG2-CE1 3.56Å; T4-F113 HydrophobicContact CG2-CZ 4.09Å; L12-F113 HydrophobicContact CB-CB 4.36Å; L12-F113 HydrophobicContact CD2-CB 4.44Å; L12-F113 HydrophobicContact CD2-CD1 4.01Å; L12-F113 HydrophobicContact CD2-CE1 4.39Å; L12-F113 HydrophobicContact CD2-CG 4.05Å; I15-F113 HydrophobicContact CB-CD2 4.41Å; I15-F113 HydrophobicContact CB-CE2 4.24Å; I15-F113 HydrophobicContact CG2-CD2 4.16Å; I15-F113 HydrophobicContact CG2-CE2 3.63Å; S16-F113 WeakPolarHBondContact OG-CB 3.41Å; K109-F113 HydrophobicContact CB-CE2 4.45Å; K109-F113 HydrophobicContact CB-CZ 4.49Å; K109-F113 WeakPolarHBondContact O-CB 3.42Å; K109-F113 WeakPolarHBondContact O-CD1 3.35Å; K109-F113 VanDerWaalsContact O-CG 3.22Å; K109-F113 WeakPolarHBondContact O-CG 3.39Å; K109-F113 PolarHBondContact O-N 3Å; V110-F113 PolarHBondContact O-N 3.45Å; E111-F113 VanDerWaalsContact C-N 3.31Å; E111-F113 PolarHBondContact O-N 3.29Å; F113-M116 HydrophobicContact CD1-CE 3.36Å; F113-M116 HydrophobicContact CE1-CE 3.98Å; F113-M116 HydrophobicContact CG-CE 4.34Å; F113-M116 PolarHBondContact O-N 3.34Å; F113-V117 WeakPolarHBondContact O-CG2 3.32Å; F113-V117 PolarHBondContact O-N 2.96Å
114L94.8Very high90.6Very high40 Ų4074.6 Ų74.621%0.20938%0.381CS..Hα-helixtrans-64.1-41.9176.7-65.2178.8000111.8L13 L54 I58 V110 E111 M116 V117 Q118L13-L114 HydrophobicContact CD2-CD2 3.71Å; L54-L114 HydrophobicContact CD1-CD1 3.84Å; L54-L114 HydrophobicContact CD2-CD1 4.43Å; I58-L114 HydrophobicContact CD1-CD1 4.28Å; I58-L114 HydrophobicContact CD1-CD2 3.96Å; I58-L114 HydrophobicContact CG1-CD2 3.9Å; V110-L114 HydrophobicContact CG1-CD1 3.84Å; V110-L114 HydrophobicContact CG1-CG 4.28Å; V110-L114 VanDerWaalsContact O-CG 3.3Å; V110-L114 WeakPolarHBondContact O-CG 3.4Å; V110-L114 PolarHBondContact O-N 2.89Å; E111-L114 PolarHBondContact O-N 3.19Å; L114-M116 VanDerWaalsContact C-N 3.35Å; L114-M116 PolarHBondContact O-N 3.17Å; L114-V117 PolarHBondContact O-N 3.07Å; L114-Q118 WeakPolarHBondContact O-CB 3.49Å; L114-Q118 PolarHBondContact O-N 3.32Å
115R93.4Very high89.7Confident140 Ų14069.8 Ų69.853%0.52837%0.368SS..Hα-helixtrans-58.9-45.3172.9-75.7-176.8-176.1-85.61.6111.5E111 V117 Q118 C119E111-R115 HydrophobicContact CG-CG 4.49Å; E111-R115 WeakPolarHBondContact O-CB 3.39Å; E111-R115 WeakPolarHBondContact O-CG 3.48Å; E111-R115 PolarHBondContact O-N 2.86Å; E111-R115 IonicContact OE1-CZ 3.25Å; E111-R115 VanDerWaalsContact OE1-CZ 3.25Å; E111-R115 IonicContact OE1-NE 2.85Å; E111-R115 PolarHBondContact OE1-NE 3.08Å; E111-R115 IonicContact OE1-NH2 2.76Å; E111-R115 PolarHBondContact OE1-NH2 3.24Å; R115-V117 VanDerWaalsContact C-N 3.34Å; R115-V117 PolarHBondContact O-N 3.36Å; R115-Q118 WeakPolarHBondContact O-CB 3.38Å; R115-Q118 PolarHBondContact O-N 3.3Å; R115-C119 PolarHBondContact O-N 3.41Å; R115-C119 PolarHBondContact O-SG 3.47Å
116M91.6Very high89Confident41 Ų4166.9 Ų66.920%0.20236%0.36CS..Hα-helixtrans-60-42.6176.7-77.8-172-68.300112.5L12 T112 F113 L114 R120L12-M116 HydrophobicContact CD1-CB 4.09Å; L12-M116 HydrophobicContact CD1-CE 4.3Å; L12-M116 HydrophobicContact CD2-CE 4.14Å; T112-M116 HydrophobicContact CG2-CE 4.11Å; T112-M116 WeakPolarHBondContact O-CG 3.48Å; T112-M116 PolarHBondContact O-N 3.41Å; F113-M116 HydrophobicContact CD1-CE 3.36Å; F113-M116 HydrophobicContact CE1-CE 3.98Å; F113-M116 HydrophobicContact CG-CE 4.34Å; F113-M116 PolarHBondContact O-N 3.34Å; L114-M116 VanDerWaalsContact C-N 3.35Å; L114-M116 PolarHBondContact O-N 3.17Å; M116-R120 WeakPolarHBondContact O-CB 3.27Å; M116-R120 WeakPolarHBondContact O-CD 3.37Å; M116-R120 WeakPolarHBondContact O-CG 3.32Å; M116-R120 PolarHBondContact O-N 3.41Å; M116-R120 VanDerWaalsContact O-N 3.15Å
117V91.4Very high87.3Confident13 Ų1370.4 Ų70.48%0.07940%0.399CS..Hα-helixtrans-62.1-46.1175.8173.10000110.5N9 L12 L13 F113 L114 R115 R120 S121N9-V117 HydrophobicContact CB-CG1 4.21Å; N9-V117 HydrophobicContact CB-CG2 4.14Å; L12-V117 HydrophobicContact CB-CG2 3.78Å; L12-V117 HydrophobicContact CD1-CG2 4.06Å; L13-V117 HydrophobicContact CD1-CG1 4.43Å; L13-V117 HydrophobicContact CD2-CG1 4.3Å; L13-V117 HydrophobicContact CD2-CG2 4.29Å; L13-V117 HydrophobicContact CG-CG1 4.38Å; L13-V117 HydrophobicContact CG-CG2 4.15Å; F113-V117 WeakPolarHBondContact O-CG2 3.32Å; F113-V117 PolarHBondContact O-N 2.96Å; L114-V117 PolarHBondContact O-N 3.07Å; R115-V117 VanDerWaalsContact C-N 3.34Å; R115-V117 PolarHBondContact O-N 3.36Å; V117-R120 PolarHBondContact O-N 2.98Å; V117-S121 WeakPolarHBondContact O-CB 3.15Å; V117-S121 PolarHBondContact O-N 3.3Å; V117-S121 PolarHBondContact O-OG 3.41Å
118Q90Very high85.3Confident99 Ų9981 Ų8146%0.46345%0.445SS..Hα-helixtrans-57.4-52.4177.1-175.8-178.213.900111.7L114 R115 R120 S121 V122 S125L114-Q118 WeakPolarHBondContact O-CB 3.49Å; L114-Q118 PolarHBondContact O-N 3.32Å; R115-Q118 WeakPolarHBondContact O-CB 3.38Å; R115-Q118 PolarHBondContact O-N 3.3Å; Q118-R120 PolarHBondContact O-N 2.8Å; Q118-S121 PolarHBondContact O-N 3Å; Q118-S121 VanDerWaalsContact O-N 3.1Å; Q118-V122 PolarHBondContact O-N 3Å; Q118-S125 PolarHBondContact O-OG 2.7Å
119C88.9Confident84.7Confident47 Ų4781 Ų8132%0.31845%0.445SS..Hα-helixtrans-57.5-34.6-179.9-58.20000112.9R115 S125 C126R115-C119 PolarHBondContact O-N 3.41Å; R115-C119 PolarHBondContact O-SG 3.47Å; C119-S125 WeakPolarHBondContact CA-OG 3.4Å; C119-C126 WeakPolarHBondContact CA-SG 3.08Å; C119-C126 HydrophobicContact CB-CB 3.67Å; C119-C126 WeakPolarHBondContact CB-SG 3.49Å; C119-C126 WeakPolarHBondContact SG-CB 3.33Å; C119-C126 CovalentContact SG-SG 2.01Å; C119-C126 PolarHBondContact SG-SG 2.73Å
120R88Confident84.2Confident100 Ų10080.1 Ų80.138%0.37745%0.446SS..Hα-helixtrans-81.1-25.5-179.1-70.1168.1180-164.2-4.5113.2Q5 K7 N9 M116 V117 Q118Q5-R120 PolarHBondContact O-NH2 3.24Å; K7-R120 PolarHBondContact O-NH1 3.27Å; N9-R120 WeakPolarHBondContact OD1-CD 3.47Å; N9-R120 PolarHBondContact OD1-NH1 3.19Å; M116-R120 WeakPolarHBondContact O-CB 3.27Å; M116-R120 WeakPolarHBondContact O-CD 3.37Å; M116-R120 WeakPolarHBondContact O-CG 3.32Å; M116-R120 PolarHBondContact O-N 3.41Å; M116-R120 VanDerWaalsContact O-N 3.15Å; V117-R120 PolarHBondContact O-N 2.98Å; Q118-R120 PolarHBondContact O-N 2.8Å
121S84.8Confident83.5Confident73 Ų7384.3 Ų84.351%0.5147%0.47SS..Hα-helixtrans-102.8-18.7-172.1-71.20000113.9N9 V117 Q118N9-S121 PolarHBondContact ND2-OG 3.03Å; N9-S121 VanDerWaalsContact ND2-OG 3.09Å; V117-S121 WeakPolarHBondContact O-CB 3.15Å; V117-S121 PolarHBondContact O-N 3.3Å; V117-S121 PolarHBondContact O-OG 3.41Å; Q118-S121 PolarHBondContact O-N 3Å; Q118-S121 VanDerWaalsContact O-N 3.1Å
122V82.3Confident82.8Confident79 Ų7983.9 Ų83.948%0.47947%0.472SS..SBendtrans-125.7115.4-177.8-177.70000109.9Q118 G124 S125Q118-V122 PolarHBondContact O-N 3Å; V122-G124 PolarHBondContact O-N 2.9Å; V122-S125 WeakPolarHBondContact O-CB 3.24Å; V122-S125 PolarHBondContact O-N 3.28Å; V122-S125 PolarHBondContact O-OG 3.27Å
123E74Confident82Confident199 Ų19984.5 Ų84.593%0.9347%0.473SS*.THydrogen-bonded Turntrans-59.3133.6174.7-72.6-176.9168.300110.9S125E123-S125 PolarHBondContact O-N 2.79Å
124G71.1Confident81.1Confident83 Ų8388.9 Ų88.986%0.85650%0.499SS*.THydrogen-bonded Turntrans72.82.7-179.900000115.6V122 C126V122-G124 PolarHBondContact O-N 2.9Å; G124-C126 VanDerWaalsContact C-N 3.3Å; G124-C126 PolarHBondContact O-N 3.13Å
125S73.8Confident80.1Confident38 Ų3892.4 Ų92.427%0.26652%0.52SS..SBendtrans-72.7-20.5-179.761.30000114.6Q118 C119 V122 E123Q118-S125 PolarHBondContact O-OG 2.7Å; C119-S125 WeakPolarHBondContact CA-OG 3.4Å; V122-S125 WeakPolarHBondContact O-CB 3.24Å; V122-S125 PolarHBondContact O-N 3.28Å; V122-S125 PolarHBondContact O-OG 3.27Å; E123-S125 PolarHBondContact O-N 2.79Å
126C80.4Confident79.1Confident36 Ų3688.7 Ų88.724%0.24352%0.519CS..SBendtrans-128.6117177.7-62.70000108.6C119 G124 F128C119-C126 WeakPolarHBondContact CA-SG 3.08Å; C119-C126 HydrophobicContact CB-CB 3.67Å; C119-C126 WeakPolarHBondContact CB-SG 3.49Å; C119-C126 WeakPolarHBondContact SG-CB 3.33Å; C119-C126 CovalentContact SG-SG 2.01Å; C119-C126 PolarHBondContact SG-SG 2.73Å; G124-C126 VanDerWaalsContact C-N 3.3Å; G124-C126 PolarHBondContact O-N 3.13Å; C126-F128 HydrophobicContact CB-CD2 4.45Å; C126-F128 HydrophobicContact CB-CE2 4.14Å; C126-F128 PolarHBondContact O-N 3.34Å; C126-F128 VanDerWaalsContact O-N 3.08Å
127G59.7Low78.1Confident86 Ų8692.7 Ų92.789%0.88755%0.545SS*.  trans-65.6106.2178.200000110.4
128F52.4Low76.8Confident259 Ų25999.9 Ų99.9100%1.13659%0.588SS**  trans-111.80160.6-70.7-76.9000108.4C126C126-F128 HydrophobicContact CB-CD2 4.45Å; C126-F128 HydrophobicContact CB-CE2 4.14Å; C126-F128 PolarHBondContact O-N 3.34Å; C126-F128 VanDerWaalsContact O-N 3.08Å

Retrieved 128 of 128 residues in 120.9 ms (Link to these results)

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