C0HBG6_SALSA Loading...

Ras-related and estrogen-regulated growth inhibitor

AlphaFold DB , UniProt , Accession C0HBG6, Species SALSA (Salmo salar, Atlantic salmon), Gene RERG, Length 200 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M39.7Very low76.2Confident241 Ų24168.6 Ų68.6100%1.18738%0.375SS*.  0131.70-76.3161.977.200108K3M1-K3 PolarHBondContact O-N 3.09Å
2A47.5Very low78Confident99 Ų9963.3 Ų63.382%0.81835%0.345SS*.PPolyproline II helixtrans-62132.9171.900000108.6S4A2-S4 PolarHBondContact O-N 3.32Å
3K51.9Low79.6Confident175 Ų17558.9 Ų58.976%0.76132%0.324SS*.PPolyproline II helixtrans-61.7120177.7-165.9179.3-179.9-169.60107.7M1 E6M1-K3 PolarHBondContact O-N 3.09Å; K3-E6 IonicContact NZ-OE2 3.46Å
4S58.8Low80.8Confident52 Ų5260 Ų6036%0.36432%0.321SS..PPolyproline II helixtrans-55.2137.9174.7-550000109.3A2 E6A2-S4 PolarHBondContact O-N 3.32Å; S4-E6 PolarHBondContact O-N 2.96Å; S4-E6 VanDerWaalsContact O-N 3.11Å
5P65.8Low81.8Confident72 Ų7257.9 Ų57.947%0.46832%0.316SS..PPolyproline II helixtrans-63.3119.2-177.124.1-30.9000109.6
6E88.3Confident82.6Confident50 Ų5057.8 Ų57.823%0.23433%0.331CS..EExtended strand (participates in β ladder)trans-80.3131.3171.9-177.3161.7-124.200108.7K3 S4 R44 T55 E57K3-E6 IonicContact NZ-OE2 3.46Å; S4-E6 PolarHBondContact O-N 2.96Å; S4-E6 VanDerWaalsContact O-N 3.11Å; E6-R44 IonicContact OE1-CZ 2.78Å; E6-R44 IonicContact OE1-NH1 2.72Å; E6-R44 PolarHBondContact OE1-NH1 3.47Å; E6-R44 IonicContact OE1-NH2 3.32Å; E6-R44 PolarHBondContact OE1-NH2 2.85Å; E6-T55 WeakPolarHBondContact CA-O 3.38Å; E6-E57 HydrophobicContact CG-CG 4.39Å
7V94.3Very high83.4Confident4 Ų454.4 Ų54.42%0.02431%0.312CS..EExtended strand (participates in β ladder)trans-118.2134.7174.7-640000109.7L9 V54 T55 M56 E57 L168V7-L9 HydrophobicContact CG2-CD2 4.31Å; V7-L9 HydrophobicContact CG2-CG 4.49Å; V7-V54 HydrophobicContact CG2-CG1 3.84Å; V7-T55 PolarHBondContact N-O 3.5Å; V7-M56 HydrophobicContact CG2-CB 4.22Å; V7-M56 HydrophobicContact CG2-CG 3.55Å; V7-M56 CarbonylContact O-C 3.58Å; V7-M56 WeakPolarHBondContact O-CA 3.4Å; V7-E57 PolarHBondContact O-N 3.03Å; V7-L168 HydrophobicContact CB-CD1 4.19Å; V7-L168 HydrophobicContact CG1-CD1 4.32Å
8K96.8Very high84.2Confident62 Ų6252.3 Ų52.327%0.2731%0.305SS..EExtended strand (participates in β ladder)trans-99.6119176.6-67.2177171.7-168.10109.7E57 W76 D78 G79K8-E57 CarbonylContact C-O 3.57Å; K8-E57 WeakPolarHBondContact CA-O 3.4Å; K8-E57 WeakPolarHBondContact CE-OE2 3.12Å; K8-E57 HydrophobicContact CG-CB 4.29Å; K8-W76 HydrophobicContact CB-CD2 4.38Å; K8-W76 HydrophobicContact CB-CE3 4.2Å; K8-W76 HydrophobicContact CB-CH2 3.8Å; K8-W76 HydrophobicContact CB-CZ2 4.01Å; K8-W76 HydrophobicContact CB-CZ3 3.9Å; K8-W76 HydrophobicContact CD-CD2 4.1Å; K8-W76 HydrophobicContact CD-CG 4.45Å; K8-W76 HydrophobicContact CD-CZ2 3.91Å; K8-W76 WeakPolarHBondContact CD-O 3.06Å; K8-W76 HydrophobicContact CG-CH2 4.09Å; K8-W76 HydrophobicContact CG-CZ2 3.81Å; K8-D78 PolarHBondContact N-OD2 3.36Å; K8-D78 WeakPolarHBondContact O-CA 3.4Å; K8-D78 WeakPolarHBondContact O-CB 3.44Å; K8-D78 PolarHBondContact O-N 3.17Å; K8-G79 PolarHBondContact O-N 3Å; K8-G79 VanDerWaalsContact O-N 3.09Å
9L98.1Very high84.9Confident0 Ų049.9 Ų49.90%029%0.29CS..EExtended strand (participates in β ladder)trans-112129.8179.2-50.7-175.5000108.5V7 M56 E57 I58 L59 W76 G79 F161 L164 L168V7-L9 HydrophobicContact CG2-CD2 4.31Å; V7-L9 HydrophobicContact CG2-CG 4.49Å; L9-M56 HydrophobicContact CD1-CG 4.17Å; L9-M56 HydrophobicContact CD1-SD 4.28Å; L9-E57 PolarHBondContact N-O 3.11Å; L9-I58 HydrophobicContact CB-CG1 4.33Å; L9-I58 HydrophobicContact CD1-CG1 4.36Å; L9-I58 CarbonylContact O-C 3.6Å; L9-I58 WeakPolarHBondContact O-CA 3.42Å; L9-L59 PolarHBondContact O-N 3.27Å; L9-W76 WeakPolarHBondContact O-CZ3 3.43Å; L9-G79 WeakPolarHBondContact CA-O 3.41Å; L9-F161 HydrophobicContact CD1-CD1 4.01Å; L9-L164 HydrophobicContact CD1-CD2 4.45Å; L9-L164 HydrophobicContact CD2-CD2 3.82Å; L9-L164 HydrophobicContact CD2-CG 4.07Å; L9-L168 HydrophobicContact CD2-CD1 3.56Å
10A98.3Very high85.4Confident0 Ų048.5 Ų48.50%028%0.283CS..EExtended strand (participates in β ladder)trans-113.7132.8173.400000110.2F12 L59 W76 G79 F80 V81A10-F12 HydrophobicContact CB-CD2 4.22Å; A10-F12 HydrophobicContact CB-CE2 3.67Å; A10-F12 HydrophobicContact CB-CZ 4.47Å; A10-L59 HydrophobicContact CB-CB 4.38Å; A10-L59 HydrophobicContact CB-CD2 4.35Å; A10-W76 HydrophobicContact CB-CZ3 4.38Å; A10-G79 PolarHBondContact N-O 2.65Å; A10-F80 HydrophobicContact CB-CD1 3.92Å; A10-F80 HydrophobicContact CB-CE1 3.91Å; A10-F80 WeakPolarHBondContact O-CA 3.47Å; A10-V81 PolarHBondContact O-N 3.28Å
11V98.6Very high85.9Confident0 Ų046.7 Ų46.70%027%0.273CS..EExtended strand (participates in β ladder)trans-104.5117.3-178.9-1720000109.2K19 V23 I58 L59 T61 V81 V83 F161V11-K19 HydrophobicContact CG1-CB 3.87Å; V11-K19 HydrophobicContact CG1-CD 4.32Å; V11-K19 HydrophobicContact CG1-CG 4.02Å; V11-V23 HydrophobicContact CB-CG2 4.41Å; V11-V23 HydrophobicContact CG2-CG2 3.76Å; V11-I58 HydrophobicContact CG2-CG2 4.09Å; V11-L59 PolarHBondContact N-O 3.27Å; V11-T61 VanDerWaalsContact O-CG2 3.28Å; V11-T61 WeakPolarHBondContact O-CG2 3.39Å; V11-T61 PolarHBondContact O-OG1 3.27Å; V11-T61 VanDerWaalsContact O-OG1 3.1Å; V11-V81 CarbonylContact C-O 3.55Å; V11-V81 WeakPolarHBondContact CA-O 3.3Å; V11-V81 HydrophobicContact CG1-CB 4.32Å; V11-V81 HydrophobicContact CG1-CG1 4.47Å; V11-V81 HydrophobicContact CG2-CB 4.29Å; V11-V83 HydrophobicContact CG1-CG2 3.76Å; V11-F161 HydrophobicContact CG2-CE1 4.17Å; V11-F161 HydrophobicContact CG2-CZ 4.17Å
12F98.4Very high88.7Confident4 Ų435.4 Ų35.42%0.01822%0.218CC..EExtended strand (participates in β ladder)trans-117.7161.6-178.9-74.2-80.6000111.8A10 T61 K70 H73 M74 F80 V81 I82 V83 L98A10-F12 HydrophobicContact CB-CD2 4.22Å; A10-F12 HydrophobicContact CB-CE2 3.67Å; A10-F12 HydrophobicContact CB-CZ 4.47Å; F12-T61 HydrophobicContact CD1-CG2 4.27Å; F12-T61 HydrophobicContact CE1-CG2 4.12Å; F12-K70 HydrophobicContact CE1-CB 4.44Å; F12-K70 HydrophobicContact CE1-CG 4.28Å; F12-H73 HydrophobicContact CE1-CB 4.26Å; F12-H73 HydrophobicContact CZ-CB 3.64Å; F12-M74 HydrophobicContact CE2-CG 3.97Å; F12-M74 HydrophobicContact CZ-CE 4.42Å; F12-M74 HydrophobicContact CZ-CG 3.77Å; F12-F80 AromaticContact CD2-CD1 3.97Å; F12-F80 HydrophobicContact CD2-CD1 3.97Å; F12-F80 AromaticContact CE2-CD1 3.69Å; F12-F80 HydrophobicContact CE2-CD1 3.69Å; F12-F80 AromaticContact CE2-CE1 3.93Å; F12-F80 HydrophobicContact CE2-CE1 3.93Å; F12-V81 PolarHBondContact N-O 2.64Å; F12-I82 HydrophobicContact CB-CG1 4.39Å; F12-I82 WeakPolarHBondContact O-CA 3.33Å; F12-V83 PolarHBondContact O-N 3.41Å; F12-L98 HydrophobicContact CB-CD1 4.45Å
13G98.1Very high91Very high7 Ų730.7 Ų30.77%0.07218%0.179CC..  trans145.6159.9-179.600000110.8K19 G63 V83G13-K19 WeakPolarHBondContact O-CE 3.42Å; G13-K19 PolarHBondContact O-NZ 3.27Å; G13-G63 VanDerWaalsContact O-CA 3.26Å; G13-G63 WeakPolarHBondContact O-CA 3.41Å; G13-V83 WeakPolarHBondContact CA-O 3.46Å
14R96.9Very high93.1Very high74 Ų7422.9 Ų22.928%0.27915%0.146SC..  trans-51.8151.1179.3-175.6-178.6-80.4-175.5-7.3111.7G16 V17 K19 D88 G90 E94R14-G16 PolarHBondContact O-N 3.34Å; R14-V17 HydrophobicContact CB-CG1 3.86Å; R14-V17 WeakPolarHBondContact O-CG1 3.31Å; R14-V17 WeakPolarHBondContact O-CG2 3.35Å; R14-V17 PolarHBondContact O-N 3.44Å; R14-K19 PolarHBondContact O-NZ 3.22Å; R14-D88 IonicContact CZ-OD2 3.92Å; R14-D88 IonicContact NH1-OD1 3.34Å; R14-D88 PolarHBondContact NH1-OD1 3.45Å; R14-D88 IonicContact NH1-OD2 2.97Å; R14-D88 PolarHBondContact NH1-OD2 3.43Å; R14-G90 PolarHBondContact NH2-O 2.82Å; R14-G90 VanDerWaalsContact NH2-O 3.11Å; R14-E94 IonicContact CZ-OE1 3.15Å; R14-E94 IonicContact NE-OE1 2.76Å; R14-E94 PolarHBondContact NE-OE1 3.08Å; R14-E94 IonicContact NE-OE2 3.88Å; R14-E94 IonicContact NH2-OE1 2.68Å; R14-E94 PolarHBondContact NH2-OE1 2.86Å
15A95.5Very high94.8Very high29 Ų2922.2 Ų22.224%0.2414%0.136CC..THydrogen-bonded Turntrans-53.1138.7169.300000111.3V17 G63 Q64A15-V17 PolarHBondContact O-N 3.06Å; A15-G63 PolarHBondContact N-O 3.3Å; A15-Q64 HydrophobicContact CB-CG 3.68Å
16G94.6Very high96.3Very high55 Ų5519.4 Ų19.457%0.56712%0.116SC*.THydrogen-bonded Turntrans83.8-5.8176.900000116.8R14 G18 K119R14-G16 PolarHBondContact O-N 3.34Å; G16-G18 PolarHBondContact O-N 3.01Å; G16-K119 WeakPolarHBondContact O-CE 3.28Å; G16-K119 PolarHBondContact O-NZ 3.49Å
17V97.3Very high96.6Very high1 Ų118.8 Ų18.81%0.00611%0.114CC..SBendtrans-70.5-13.4177-56.70000113.7R14 A15 K19 V83 D85 N118R14-V17 HydrophobicContact CB-CG1 3.86Å; R14-V17 WeakPolarHBondContact O-CG1 3.31Å; R14-V17 WeakPolarHBondContact O-CG2 3.35Å; R14-V17 PolarHBondContact O-N 3.44Å; A15-V17 PolarHBondContact O-N 3.06Å; V17-K19 HydrophobicContact CG2-CD 4.46Å; V17-K19 HydrophobicContact CG2-CG 3.72Å; V17-V83 HydrophobicContact CB-CG1 4.27Å; V17-V83 HydrophobicContact CG2-CB 3.92Å; V17-V83 HydrophobicContact CG2-CG1 3.77Å; V17-D85 HydrophobicContact CB-CB 4.18Å; V17-D85 HydrophobicContact CG1-CB 4.09Å; V17-N118 PolarHBondContact O-ND2 2.77Å
18G96.3Very high96.5Very high17 Ų1721.7 Ų21.718%0.17513%0.132CC..  trans97.330.1176.700000115.6G16 A21 L22G16-G18 PolarHBondContact O-N 3.01Å; G18-A21 PolarHBondContact O-N 3.44Å; G18-L22 WeakPolarHBondContact O-CG 3.36Å; G18-L22 PolarHBondContact O-N 2.85Å
19K97.4Very high96.2Very high7 Ų729 Ų293%0.0316%0.158CC..Hα-helixtrans-52.9-57.2174.5-58.7-176.2-61.6-72.60112.3V11 G13 R14 V17 A21 L22 V23 T61 A62 G63 V83V11-K19 HydrophobicContact CG1-CB 3.87Å; V11-K19 HydrophobicContact CG1-CD 4.32Å; V11-K19 HydrophobicContact CG1-CG 4.02Å; G13-K19 WeakPolarHBondContact O-CE 3.42Å; G13-K19 PolarHBondContact O-NZ 3.27Å; R14-K19 PolarHBondContact O-NZ 3.22Å; V17-K19 HydrophobicContact CG2-CD 4.46Å; V17-K19 HydrophobicContact CG2-CG 3.72Å; K19-A21 VanDerWaalsContact C-N 3.29Å; K19-A21 PolarHBondContact O-N 3Å; K19-L22 WeakPolarHBondContact O-CB 3.43Å; K19-L22 PolarHBondContact O-N 3.42Å; K19-L22 VanDerWaalsContact O-N 3.12Å; K19-V23 WeakPolarHBondContact O-CG2 3.37Å; K19-V23 PolarHBondContact O-N 3.25Å; K19-T61 WeakPolarHBondContact CE-O 3.33Å; K19-A62 PolarHBondContact NZ-O 3.19Å; K19-G63 VanDerWaalsContact NZ-CA 3.31Å; K19-V83 HydrophobicContact CG-CB 4.31Å; K19-V83 HydrophobicContact CG-CG2 4.37Å
20S96.3Very high95.8Very high20 Ų2037.8 Ų37.814%0.1419%0.191CC..Hα-helixtrans-60.1-38.7178.4-45.80000112.7V23 V24 D60S20-V23 PolarHBondContact O-N 3.06Å; S20-V24 WeakPolarHBondContact O-CG2 3.39Å; S20-V24 PolarHBondContact O-N 3.01Å; S20-D60 WeakPolarHBondContact CA-OD1 3.42Å; S20-D60 WeakPolarHBondContact CA-OD2 3.43Å; S20-D60 WeakPolarHBondContact CB-OD2 3.4Å; S20-D60 PolarHBondContact N-OD1 3.22Å; S20-D60 PolarHBondContact OG-OD1 2.83Å; S20-D60 PolarHBondContact OG-OD2 3.36Å
21A95.7Very high95.3Very high11 Ų1140.4 Ų40.49%0.09120%0.203CC..Hα-helixtrans-63.4-42.6176.400000112.2G18 K19 R25 F31 Y35 A149G18-A21 PolarHBondContact O-N 3.44Å; K19-A21 VanDerWaalsContact C-N 3.29Å; K19-A21 PolarHBondContact O-N 3Å; A21-R25 WeakPolarHBondContact O-CB 3.42Å; A21-R25 PolarHBondContact O-N 3.48Å; A21-F31 HydrophobicContact CB-CD2 4.27Å; A21-F31 HydrophobicContact CB-CE2 3.83Å; A21-Y35 HydrophobicContact CB-CE2 4.44Å; A21-A149 HydrophobicContact CB-CB 3.73Å
22L97.4Very high94.6Very high4 Ų444.3 Ų44.32%0.02122%0.222CC..Hα-helixtrans-65.3-45.2174.4-72.2169.4000111.5G18 K19 V24 R25 F26 V83 V116 N118 C147 A149 V157G18-L22 WeakPolarHBondContact O-CG 3.36Å; G18-L22 PolarHBondContact O-N 2.85Å; K19-L22 WeakPolarHBondContact O-CB 3.43Å; K19-L22 PolarHBondContact O-N 3.42Å; K19-L22 VanDerWaalsContact O-N 3.12Å; L22-V24 PolarHBondContact O-N 3.01Å; L22-R25 PolarHBondContact O-N 3.03Å; L22-F26 WeakPolarHBondContact O-CB 3.26Å; L22-F26 PolarHBondContact O-N 3.49Å; L22-V83 HydrophobicContact CD1-CB 4.39Å; L22-V83 HydrophobicContact CD1-CG1 3.59Å; L22-V83 HydrophobicContact CD1-CG2 3.81Å; L22-V116 HydrophobicContact CD1-CG1 3.94Å; L22-N118 HydrophobicContact CD1-CB 4.12Å; L22-C147 HydrophobicContact CD2-CB 4.09Å; L22-A149 HydrophobicContact CD2-CB 4.04Å; L22-A149 HydrophobicContact CG-CB 4.31Å; L22-V157 HydrophobicContact CB-CG1 4.39Å; L22-V157 HydrophobicContact CD2-CB 4.38Å; L22-V157 HydrophobicContact CD2-CG1 3.95Å; L22-V157 HydrophobicContact CD2-CG2 3.57Å; L22-V157 WeakPolarHBondContact O-CG1 3.27Å
23V96.9Very high93.5Very high0 Ų054.3 Ų54.30%026%0.26CS..Hα-helixtrans-59.1-49.6177.9171.40000110.1V11 K19 S20 F26 L27 Y43 I58 D60 F161V11-V23 HydrophobicContact CB-CG2 4.41Å; V11-V23 HydrophobicContact CG2-CG2 3.76Å; K19-V23 WeakPolarHBondContact O-CG2 3.37Å; K19-V23 PolarHBondContact O-N 3.25Å; S20-V23 PolarHBondContact O-N 3.06Å; V23-F26 WeakPolarHBondContact O-CB 3.29Å; V23-F26 PolarHBondContact O-N 3.33Å; V23-L27 HydrophobicContact CG1-CD1 3.74Å; V23-L27 HydrophobicContact CG1-CG 4.31Å; V23-L27 WeakPolarHBondContact O-CG 3.47Å; V23-L27 PolarHBondContact O-N 3.05Å; V23-Y43 HydrophobicContact CG1-CD2 3.71Å; V23-Y43 HydrophobicContact CG1-CE2 3.9Å; V23-Y43 HydrophobicContact CG1-CG 4.43Å; V23-I58 HydrophobicContact CG1-CG2 4.09Å; V23-I58 HydrophobicContact CG2-CG2 4.04Å; V23-D60 HydrophobicContact CG1-CB 4.45Å; V23-D60 HydrophobicContact CG2-CB 4.15Å; V23-F161 HydrophobicContact CG2-CZ 4.18Å
24V94.8Very high92.6Very high11 Ų1162.3 Ų62.37%0.06730%0.296CS..Hα-helixtrans-72.4-33.9-179.1177.70000112.5S20 L22 F26 L27 T28 I32 Y35S20-V24 WeakPolarHBondContact O-CG2 3.39Å; S20-V24 PolarHBondContact O-N 3.01Å; L22-V24 PolarHBondContact O-N 3.01Å; V24-F26 VanDerWaalsContact C-N 3.27Å; V24-F26 PolarHBondContact O-N 3.4Å; V24-L27 PolarHBondContact O-N 3.41Å; V24-T28 HydrophobicContact CG1-CG2 3.81Å; V24-T28 WeakPolarHBondContact CG1-OG1 3.39Å; V24-T28 WeakPolarHBondContact O-CB 3.45Å; V24-T28 PolarHBondContact O-N 3.4Å; V24-T28 PolarHBondContact O-OG1 2.98Å; V24-I32 HydrophobicContact CG1-CD1 4.05Å; V24-I32 HydrophobicContact CG1-CG1 4.4Å; V24-Y35 HydrophobicContact CB-CE1 4.24Å; V24-Y35 WeakPolarHBondContact CB-OH 3.43Å; V24-Y35 WeakPolarHBondContact CG1-OH 3.38Å; V24-Y35 HydrophobicContact CG2-CE1 3.63Å; V24-Y35 VanDerWaalsContact CG2-OH 3.3Å; V24-Y35 WeakPolarHBondContact CG2-OH 3.48Å
25R95.6Very high91.5Very high39 Ų3962 Ų6215%0.14730%0.295CS..Hα-helixtrans-57.6-45.1170.5175.859.173.2160.423.1110.5A21 L22 R29 R30 A149 C150 D152 V157A21-R25 WeakPolarHBondContact O-CB 3.42Å; A21-R25 PolarHBondContact O-N 3.48Å; L22-R25 PolarHBondContact O-N 3.03Å; R25-R29 PolarHBondContact NH1-O 3.28Å; R25-R29 WeakPolarHBondContact O-CA 3.39Å; R25-R29 PolarHBondContact O-N 2.98Å; R25-R30 WeakPolarHBondContact CA-O 3.38Å; R25-A149 VanDerWaalsContact CZ-O 3.23Å; R25-A149 PolarHBondContact NE-O 3.18Å; R25-A149 PolarHBondContact NH2-O 3.41Å; R25-C150 PolarHBondContact NH2-O 2.94Å; R25-D152 HydrophobicContact CG-CB 4.17Å; R25-V157 HydrophobicContact CB-CG1 4.34Å; R25-V157 HydrophobicContact CG-CB 4.19Å; R25-V157 HydrophobicContact CG-CG1 4.2Å; R25-V157 HydrophobicContact CG-CG2 4.09Å
26F96.5Very high90.6Very high13 Ų1364.4 Ų64.46%0.05730%0.304CS..Hα-helixtrans-60.4-49.6175.2176.6-120.5000112.1L22 V23 V24 H45 M56 I58 V157 A158 F161 H162L22-F26 WeakPolarHBondContact O-CB 3.26Å; L22-F26 PolarHBondContact O-N 3.49Å; V23-F26 WeakPolarHBondContact O-CB 3.29Å; V23-F26 PolarHBondContact O-N 3.33Å; V24-F26 VanDerWaalsContact C-N 3.27Å; V24-F26 PolarHBondContact O-N 3.4Å; F26-H45 AromaticContact CE1-CD2 3.61Å; F26-H45 AromaticContact CZ-CD2 3.8Å; F26-M56 HydrophobicContact CE1-CE 4.25Å; F26-M56 HydrophobicContact CE1-SD 3.89Å; F26-M56 HydrophobicContact CZ-CE 4.01Å; F26-M56 HydrophobicContact CZ-SD 3.83Å; F26-I58 HydrophobicContact CD1-CD1 3.72Å; F26-I58 HydrophobicContact CE1-CD1 3.63Å; F26-V157 HydrophobicContact CB-CG1 4.12Å; F26-A158 HydrophobicContact CD2-CB 4.09Å; F26-A158 HydrophobicContact CE2-CB 4.28Å; F26-F161 HydrophobicContact CB-CD2 4.16Å; F26-F161 HydrophobicContact CB-CE2 4.2Å; F26-F161 HydrophobicContact CD1-CB 4.31Å; F26-F161 AromaticContact CD1-CD1 3.97Å; F26-F161 HydrophobicContact CD1-CD1 3.97Å; F26-F161 HydrophobicContact CD1-CD2 4.36Å; F26-F161 HydrophobicContact CD1-CE1 4.38Å; F26-F161 AromaticContact CD1-CG 3.96Å; F26-F161 HydrophobicContact CD1-CG 3.96Å; F26-F161 HydrophobicContact CD2-CB 4.04Å; F26-F161 HydrophobicContact CD2-CD2 4.27Å; F26-F161 HydrophobicContact CD2-CG 4.21Å; F26-F161 HydrophobicContact CE1-CB 4.06Å; F26-F161 HydrophobicContact CE1-CD1 4.11Å; F26-F161 HydrophobicContact CE1-CG 4.14Å; F26-F161 HydrophobicContact CE2-CB 3.76Å; F26-F161 HydrophobicContact CE2-CG 4.36Å; F26-F161 HydrophobicContact CG-CB 4.28Å; F26-F161 HydrophobicContact CG-CD1 4.42Å; F26-F161 HydrophobicContact CG-CD2 4.01Å; F26-F161 HydrophobicContact CG-CE2 4.44Å; F26-F161 AromaticContact CG-CG 3.99Å; F26-F161 HydrophobicContact CG-CG 3.99Å; F26-F161 HydrophobicContact CZ-CB 3.77Å; F26-F161 HydrophobicContact CZ-CG 4.33Å; F26-H162 AromaticContact CE2-CD2 3.92Å; F26-H162 AromaticContact CE2-NE2 3.71Å
27L94.4Very high89.7Confident36 Ų3666 Ų6619%0.18830%0.304CS..Hα-helixtrans-69.8-39.3-174.4-66.9174.8000113.9V23 V24 Y43 H45 I58V23-L27 HydrophobicContact CG1-CD1 3.74Å; V23-L27 HydrophobicContact CG1-CG 4.31Å; V23-L27 WeakPolarHBondContact O-CG 3.47Å; V23-L27 PolarHBondContact O-N 3.05Å; V24-L27 PolarHBondContact O-N 3.41Å; L27-Y43 HydrophobicContact CD1-CD1 3.7Å; L27-Y43 HydrophobicContact CD1-CD2 4.14Å; L27-Y43 HydrophobicContact CD1-CE1 4.4Å; L27-Y43 HydrophobicContact CD1-CG 3.55Å; L27-H45 HydrophobicContact CD2-CB 3.4Å; L27-I58 HydrophobicContact CD2-CD1 4.21Å
28T92.4Very high88.7Confident66 Ų6670.5 Ų70.541%0.40533%0.332SS..Hα-helixtrans-115.8-10.3-166.969.70000113.6V24 R30V24-T28 HydrophobicContact CG1-CG2 3.81Å; V24-T28 WeakPolarHBondContact CG1-OG1 3.39Å; V24-T28 WeakPolarHBondContact O-CB 3.45Å; V24-T28 PolarHBondContact O-N 3.4Å; V24-T28 PolarHBondContact O-OG1 2.98Å; T28-R30 PolarHBondContact O-N 3.46Å; T28-R30 VanDerWaalsContact O-N 3.13Å; T28-R30 PolarHBondContact OG1-N 2.96Å; T28-R30 PolarHBondContact OG1-O 3.34Å
29R91.7Very high88Confident214 Ų21474.4 Ų74.481%0.80835%0.348SS*.SBendtrans59.612.2-169.8-52.3-176.5179.4-172.3-2.1113.8R25R25-R29 PolarHBondContact NH1-O 3.28Å; R25-R29 WeakPolarHBondContact O-CA 3.39Å; R25-R29 PolarHBondContact O-N 2.98Å
30R88.5Confident87.8Confident185 Ų18578.2 Ų78.270%0.69837%0.366SS*.  trans-115.8155178.9-63.3178.4-178.4-171.7-0.5110R25 T28R25-R30 WeakPolarHBondContact CA-O 3.38Å; T28-R30 PolarHBondContact O-N 3.46Å; T28-R30 VanDerWaalsContact O-N 3.13Å; T28-R30 PolarHBondContact OG1-N 2.96Å; T28-R30 PolarHBondContact OG1-O 3.34Å
31F87.6Confident87.6Confident56 Ų5679.1 Ų79.125%0.24637%0.373CS..  trans-105.1131.1166.2177.4-111.2000109A21 W33 A149 C150A21-F31 HydrophobicContact CB-CD2 4.27Å; A21-F31 HydrophobicContact CB-CE2 3.83Å; F31-W33 HydrophobicContact CD1-CD2 4.08Å; F31-W33 AromaticContact CD1-CE2 3.81Å; F31-W33 HydrophobicContact CD1-CG 4.44Å; F31-W33 HydrophobicContact CD1-CZ2 4.07Å; F31-W33 AromaticContact CE1-CD2 3.39Å; F31-W33 HydrophobicContact CE1-CD2 3.39Å; F31-W33 AromaticContact CE1-CE2 3.48Å; F31-W33 VanDerWaalsContact CE1-CE2 3.48Å; F31-W33 AromaticContact CE1-CE3 3.48Å; F31-W33 HydrophobicContact CE1-CE3 3.48Å; F31-W33 VanDerWaalsContact CE1-CE3 3.48Å; F31-W33 HydrophobicContact CE1-CG 4.01Å; F31-W33 AromaticContact CE1-CH2 3.76Å; F31-W33 HydrophobicContact CE1-CH2 3.76Å; F31-W33 AromaticContact CE1-CZ2 3.68Å; F31-W33 HydrophobicContact CE1-CZ2 3.68Å; F31-W33 AromaticContact CE1-CZ3 3.67Å; F31-W33 HydrophobicContact CE1-CZ3 3.67Å; F31-W33 HydrophobicContact CZ-CD2 4.28Å; F31-W33 HydrophobicContact CZ-CE3 4.04Å; F31-W33 HydrophobicContact CZ-CZ3 4.24Å; F31-A149 HydrophobicContact CD2-CB 4.19Å; F31-A149 WeakPolarHBondContact CD2-O 3.45Å; F31-A149 HydrophobicContact CE2-CB 4.28Å; F31-C150 HydrophobicContact CD1-CB 3.74Å; F31-C150 HydrophobicContact CD2-CB 4.2Å; F31-C150 HydrophobicContact CE1-CB 3.65Å; F31-C150 HydrophobicContact CE2-CB 4.15Å; F31-C150 HydrophobicContact CG-CB 4.01Å; F31-C150 HydrophobicContact CZ-CB 3.88Å
32I84.6Confident87.6Confident81 Ų8182.7 Ų82.742%0.41539%0.393SS..  trans-114.7132.1175.2-47.5178.3000106.1V24 Y35V24-I32 HydrophobicContact CG1-CD1 4.05Å; V24-I32 HydrophobicContact CG1-CG1 4.4Å; I32-Y35 HydrophobicContact CB-CE2 3.99Å; I32-Y35 VanDerWaalsContact CB-OH 3.27Å; I32-Y35 WeakPolarHBondContact CB-OH 3.45Å; I32-Y35 WeakPolarHBondContact CG1-OH 3.32Å; I32-Y35 WeakPolarHBondContact O-CD2 3.48Å; I32-Y35 WeakPolarHBondContact O-CE2 3.33Å
33W75.9Confident87.6Confident215 Ų21585.8 Ų85.881%0.81441%0.405SS*.SBendtrans-77.3-29.5-174.4-66.991.4000112.6F31F31-W33 HydrophobicContact CD1-CD2 4.08Å; F31-W33 AromaticContact CD1-CE2 3.81Å; F31-W33 HydrophobicContact CD1-CG 4.44Å; F31-W33 HydrophobicContact CD1-CZ2 4.07Å; F31-W33 AromaticContact CE1-CD2 3.39Å; F31-W33 HydrophobicContact CE1-CD2 3.39Å; F31-W33 AromaticContact CE1-CE2 3.48Å; F31-W33 VanDerWaalsContact CE1-CE2 3.48Å; F31-W33 AromaticContact CE1-CE3 3.48Å; F31-W33 HydrophobicContact CE1-CE3 3.48Å; F31-W33 VanDerWaalsContact CE1-CE3 3.48Å; F31-W33 HydrophobicContact CE1-CG 4.01Å; F31-W33 AromaticContact CE1-CH2 3.76Å; F31-W33 HydrophobicContact CE1-CH2 3.76Å; F31-W33 AromaticContact CE1-CZ2 3.68Å; F31-W33 HydrophobicContact CE1-CZ2 3.68Å; F31-W33 AromaticContact CE1-CZ3 3.67Å; F31-W33 HydrophobicContact CE1-CZ3 3.67Å; F31-W33 HydrophobicContact CZ-CD2 4.28Å; F31-W33 HydrophobicContact CZ-CE3 4.04Å; F31-W33 HydrophobicContact CZ-CZ3 4.24Å
34E77.7Confident87.5Confident174 Ų17492.8 Ų92.881%0.81343%0.431SS*.  trans-99.2113-176.2-66.8178-173.600110.3
35Y73.6Confident87.5Confident69 Ų6994.5 Ų94.527%0.27144%0.439SS..  trans-131.4141.6165.6-71.6-71.1000109.1A21 V24 I32 P37A21-Y35 HydrophobicContact CB-CE2 4.44Å; V24-Y35 HydrophobicContact CB-CE1 4.24Å; V24-Y35 WeakPolarHBondContact CB-OH 3.43Å; V24-Y35 WeakPolarHBondContact CG1-OH 3.38Å; V24-Y35 HydrophobicContact CG2-CE1 3.63Å; V24-Y35 VanDerWaalsContact CG2-OH 3.3Å; V24-Y35 WeakPolarHBondContact CG2-OH 3.48Å; I32-Y35 HydrophobicContact CB-CE2 3.99Å; I32-Y35 VanDerWaalsContact CB-OH 3.27Å; I32-Y35 WeakPolarHBondContact CB-OH 3.45Å; I32-Y35 WeakPolarHBondContact CG1-OH 3.32Å; I32-Y35 WeakPolarHBondContact O-CD2 3.48Å; I32-Y35 WeakPolarHBondContact O-CE2 3.33Å; Y35-P37 VanDerWaalsContact O-CD 3.29Å; Y35-P37 WeakPolarHBondContact O-CD 3.48Å
36D78.3Confident87.5Confident79 Ų7998.4 Ų98.442%0.42246%0.459SS..  trans-75.2113.5169.4-172.1-32.7000108.5T38 L39D36-T38 PolarHBondContact O-N 3.02Å; D36-T38 VanDerWaalsContact O-N 3.13Å; D36-T38 WeakPolarHBondContact OD1-CB 3.49Å; D36-T38 PolarHBondContact OD1-N 2.93Å; D36-T38 PolarHBondContact OD1-OG1 3.12Å; D36-L39 HydrophobicContact CB-CB 4.29Å; D36-L39 HydrophobicContact CB-CD1 3.59Å; D36-L39 HydrophobicContact CB-CG 3.74Å; D36-L39 PolarHBondContact O-N 3.45Å
37P74Confident87.3Confident88 Ų8898.5 Ų98.557%0.57146%0.462SS*.THydrogen-bonded Turntrans-70.4-6.3-17631.1-36.2000113.5Y35Y35-P37 VanDerWaalsContact O-CD 3.29Å; Y35-P37 WeakPolarHBondContact O-CD 3.48Å
38T76.3Confident87.3Confident96 Ų96101.1 Ų101.159%0.58948%0.479SS*.THydrogen-bonded Turntrans-100.2-10.5-178.769.90000113.6D36D36-T38 PolarHBondContact O-N 3.02Å; D36-T38 VanDerWaalsContact O-N 3.13Å; D36-T38 WeakPolarHBondContact OD1-CB 3.49Å; D36-T38 PolarHBondContact OD1-N 2.93Å; D36-T38 PolarHBondContact OD1-OG1 3.12Å
39L83Confident87.3Confident99 Ų9998.1 Ų98.152%0.51846%0.461SS..  trans-89.7114.4-175.4-66.9-180000111.5D36D36-L39 HydrophobicContact CB-CB 4.29Å; D36-L39 HydrophobicContact CB-CD1 3.59Å; D36-L39 HydrophobicContact CB-CG 3.74Å; D36-L39 PolarHBondContact O-N 3.45Å
40E91.9Very high87.4Confident86 Ų8692.1 Ų92.140%0.40245%0.445SS..  trans-73.9141.8159.9174.9172.6110.200109.9L59 D60 H73E40-L59 HydrophobicContact CG-CD1 3.66Å; E40-D60 WeakPolarHBondContact CA-O 3.35Å; E40-D60 WeakPolarHBondContact CG-O 3.34Å; E40-H73 IonicContact OE1-CE1 3.28Å; E40-H73 PolarHBondContact OE1-CE1 3.47Å; E40-H73 IonicContact OE2-CD2 3.56Å; E40-H73 IonicContact OE2-CE1 3.34Å; E40-H73 PolarHBondContact OE2-CE1 3.09Å; E40-H73 IonicContact OE2-ND1 3.59Å; E40-H73 IonicContact OE2-NE2 3.83Å; E40-H73 PolarHBondContact OE2-NE2 3.41Å
41S93.1Very high87.5Confident40 Ų4091 Ų9128%0.2845%0.452SS..EExtended strand (participates in β ladder)trans-147.3144178.1-750000112.5Y43 D60S41-Y43 VanDerWaalsContact CB-CE2 3.49Å; S41-Y43 WeakPolarHBondContact CB-OH 3.31Å; S41-D60 PolarHBondContact N-O 3.31Å; S41-D60 PolarHBondContact O-N 3.06Å
42T96.1Very high87.6Confident86 Ų8693.3 Ų93.353%0.52846%0.464SS..EExtended strand (participates in β ladder)trans-109.4125.2172.1-58.80000110I58 W76T42-I58 CarbonylContact C-O 3.52Å; T42-I58 WeakPolarHBondContact CA-O 3.45Å; T42-W76 HydrophobicContact CG2-CZ2 4.4Å
43Y95.9Very high88Confident68 Ų6892.4 Ų92.427%0.26746%0.462SS..EExtended strand (participates in β ladder)trans-112.4143.7-179.1-57.3-86.5000110.7V23 L27 S41 E57 I58 D60V23-Y43 HydrophobicContact CG1-CD2 3.71Å; V23-Y43 HydrophobicContact CG1-CE2 3.9Å; V23-Y43 HydrophobicContact CG1-CG 4.43Å; L27-Y43 HydrophobicContact CD1-CD1 3.7Å; L27-Y43 HydrophobicContact CD1-CD2 4.14Å; L27-Y43 HydrophobicContact CD1-CE1 4.4Å; L27-Y43 HydrophobicContact CD1-CG 3.55Å; S41-Y43 VanDerWaalsContact CB-CE2 3.49Å; S41-Y43 WeakPolarHBondContact CB-OH 3.31Å; Y43-E57 CarbonylContact O-C 3.57Å; Y43-E57 WeakPolarHBondContact O-CA 3.42Å; Y43-I58 PolarHBondContact N-O 3.45Å; Y43-I58 PolarHBondContact O-N 3.34Å; Y43-D60 HydrophobicContact CD2-CB 4.38Å; Y43-D60 HydrophobicContact CE2-CB 3.85Å
44R95.8Very high88.9Confident147 Ų14782.3 Ų82.356%0.55542%0.424SS*.EExtended strand (participates in β ladder)trans-107.3127.9171.5-167.6-177.4-169.578.75109.5E6 T55 M56 E57E6-R44 IonicContact OE1-CZ 2.78Å; E6-R44 IonicContact OE1-NH1 2.72Å; E6-R44 PolarHBondContact OE1-NH1 3.47Å; E6-R44 IonicContact OE1-NH2 3.32Å; E6-R44 PolarHBondContact OE1-NH2 2.85Å; R44-T55 HydrophobicContact CG-CG2 4.26Å; R44-M56 CarbonylContact C-O 3.54Å; R44-M56 WeakPolarHBondContact CA-O 3.38Å; R44-E57 IonicContact NH1-OE1 3.87Å; R44-E57 PolarHBondContact NH1-OE1 3.32Å
45H94.6Very high89.7Confident48 Ų4874.7 Ų74.722%0.22239%0.39CS..EExtended strand (participates in β ladder)trans-136.8146.9-178.9-170.758.8000111.5F26 L27 T55 M56F26-H45 AromaticContact CE1-CD2 3.61Å; F26-H45 AromaticContact CZ-CD2 3.8Å; L27-H45 HydrophobicContact CD2-CB 3.4Å; H45-T55 CarbonylContact O-C 3.49Å; H45-T55 WeakPolarHBondContact O-CA 3.45Å; H45-M56 HydrophobicContact CB-CE 4.39Å; H45-M56 VanDerWaalsContact CD2-CE 3.48Å; H45-M56 WeakPolarHBondContact CD2-CE 3.34Å; H45-M56 PolarHBondContact N-O 2.84Å; H45-M56 PolarHBondContact O-N 3.04Å
46Q95.1Very high90.8Very high121 Ų12171.4 Ų71.457%0.56538%0.377SS*.EExtended strand (participates in β ladder)trans-126.7124.4176.6-169.6173.26.300108.3V53 V54Q46-V53 HydrophobicContact CG-CG1 3.57Å; Q46-V54 WeakPolarHBondContact CA-O 3.46Å
47A93.1Very high91.8Very high14 Ų1469.7 Ų69.712%0.11637%0.366CS..EExtended strand (participates in β ladder)trans-131.8154.7179.400000110.2I49 V54 M56A47-I49 HydrophobicContact CB-CG1 4.26Å; A47-V54 PolarHBondContact N-O 3.35Å; A47-V54 PolarHBondContact O-N 3.25Å; A47-M56 HydrophobicContact CB-CE 3.55Å
48T93.6Very high92.9Very high92 Ų9265.5 Ų65.556%0.56434%0.339SS*.EExtended strand (participates in β ladder)trans-94.8118.1169.4-55.90000107.8E52T48-E52 CarbonylContact C-O 3.55Å; T48-E52 WeakPolarHBondContact CA-O 3.37Å
49I93.9Very high93.9Very high3 Ų361.1 Ų61.12%0.01531%0.312CS..EExtended strand (participates in β ladder)trans-125.8112.6-177.6-47.4174.4000107.8A47 E52 V54 H162 C165 R166 R169A47-I49 HydrophobicContact CB-CG1 4.26Å; I49-E52 PolarHBondContact N-O 3.48Å; I49-E52 PolarHBondContact O-N 2.85Å; I49-V54 HydrophobicContact CB-CG2 4.35Å; I49-V54 HydrophobicContact CD1-CB 4.08Å; I49-V54 HydrophobicContact CD1-CG2 4.07Å; I49-V54 HydrophobicContact CG1-CG2 4.34Å; I49-H162 HydrophobicContact CD1-CB 4.39Å; I49-H162 HydrophobicContact CG2-CB 4Å; I49-C165 HydrophobicContact CD1-CB 3.65Å; I49-R166 HydrophobicContact CG2-CG 4.25Å; I49-R169 VanDerWaalsContact CG2-NH2 3.27Å; I49-R169 PolarHBondContact O-NH1 3.01Å; I49-R169 PolarHBondContact O-NH2 3.32Å
50D92.7Very high94.6Very high87 Ų8756.5 Ų56.547%0.46529%0.288SS..THydrogen-bonded Turntrans53.152.2-175.3-35.8-48.8000111.9E52 R166 R169D50-E52 PolarHBondContact O-N 2.82Å; D50-R166 IonicContact OD1-CZ 2.74Å; D50-R166 IonicContact OD1-NE 3.11Å; D50-R166 PolarHBondContact OD1-NE 3.04Å; D50-R166 IonicContact OD1-NH2 2.67Å; D50-R166 VanDerWaalsContact OD2-CD 3.26Å; D50-R166 WeakPolarHBondContact OD2-CD 3.43Å; D50-R166 VanDerWaalsContact OD2-CG 3.29Å; D50-R166 WeakPolarHBondContact OD2-CG 3.34Å; D50-R166 IonicContact OD2-NE 3.87Å; D50-R166 PolarHBondContact OD2-NE 2.91Å; D50-R169 IonicContact OD2-CZ 2.92Å; D50-R169 IonicContact OD2-NH1 3.06Å; D50-R169 IonicContact OD2-NH2 2.83Å; D50-R169 PolarHBondContact OD2-NH2 3Å
51D90.9Very high94.8Very high161 Ų16152.4 Ų52.486%0.86127%0.269SS*.THydrogen-bonded Turntrans62.64.2-178.2-55.1-48.1000116.1
52E90.1Very high94.7Very high105 Ų10551.3 Ų51.349%0.49126%0.262SS..EExtended strand (participates in β ladder)trans-104.6131.9173.8-67.2-171.715700111.5T48 I49 D50 V54 R169T48-E52 CarbonylContact C-O 3.55Å; T48-E52 WeakPolarHBondContact CA-O 3.37Å; I49-E52 PolarHBondContact N-O 3.48Å; I49-E52 PolarHBondContact O-N 2.85Å; D50-E52 PolarHBondContact O-N 2.82Å; E52-V54 PolarHBondContact O-N 2.9Å; E52-R169 WeakPolarHBondContact OE2-CD 3.46Å; E52-R169 IonicContact OE2-CZ 3.99Å; E52-R169 IonicContact OE2-NE 2.62Å; E52-R169 IonicContact OE2-NH1 3.77Å; E52-R169 PolarHBondContact OE2-NH1 3.39Å
53V92.8Very high94.4Very high62 Ų6247.8 Ų47.838%0.37624%0.243SC..EExtended strand (participates in β ladder)trans-79.3114.8174.7-1790000109.7Q46Q46-V53 HydrophobicContact CG-CG1 3.57Å
54V94Very high94.1Very high3 Ų351.9 Ų51.92%0.01827%0.265CS..EExtended strand (participates in β ladder)trans-109.4131.7179.4-176.10000109.4V7 Q46 A47 I49 E52 M56V7-V54 HydrophobicContact CG2-CG1 3.84Å; Q46-V54 WeakPolarHBondContact CA-O 3.46Å; A47-V54 PolarHBondContact N-O 3.35Å; A47-V54 PolarHBondContact O-N 3.25Å; I49-V54 HydrophobicContact CB-CG2 4.35Å; I49-V54 HydrophobicContact CD1-CB 4.08Å; I49-V54 HydrophobicContact CD1-CG2 4.07Å; I49-V54 HydrophobicContact CG1-CG2 4.34Å; E52-V54 PolarHBondContact O-N 2.9Å; V54-M56 HydrophobicContact CG1-CG 4.24Å
55T95.8Very high93.9Very high15 Ų1545.4 Ų45.49%0.09224%0.241CC..EExtended strand (participates in β ladder)trans-102.5123.4171.4-54.30000109.4E6 V7 R44 H45E6-T55 WeakPolarHBondContact CA-O 3.38Å; V7-T55 PolarHBondContact N-O 3.5Å; R44-T55 HydrophobicContact CG-CG2 4.26Å; H45-T55 CarbonylContact O-C 3.49Å; H45-T55 WeakPolarHBondContact O-CA 3.45Å
56M96.6Very high93.9Very high0 Ų047.1 Ų47.10%025%0.251CS..EExtended strand (participates in β ladder)trans-109.2135.3-179.1-65.3157.9-80.800110.1V7 L9 F26 R44 H45 A47 V54 I58V7-M56 HydrophobicContact CG2-CB 4.22Å; V7-M56 HydrophobicContact CG2-CG 3.55Å; V7-M56 CarbonylContact O-C 3.58Å; V7-M56 WeakPolarHBondContact O-CA 3.4Å; L9-M56 HydrophobicContact CD1-CG 4.17Å; L9-M56 HydrophobicContact CD1-SD 4.28Å; F26-M56 HydrophobicContact CE1-CE 4.25Å; F26-M56 HydrophobicContact CE1-SD 3.89Å; F26-M56 HydrophobicContact CZ-CE 4.01Å; F26-M56 HydrophobicContact CZ-SD 3.83Å; R44-M56 CarbonylContact C-O 3.54Å; R44-M56 WeakPolarHBondContact CA-O 3.38Å; H45-M56 HydrophobicContact CB-CE 4.39Å; H45-M56 VanDerWaalsContact CD2-CE 3.48Å; H45-M56 WeakPolarHBondContact CD2-CE 3.34Å; H45-M56 PolarHBondContact N-O 2.84Å; H45-M56 PolarHBondContact O-N 3.04Å; A47-M56 HydrophobicContact CB-CE 3.55Å; V54-M56 HydrophobicContact CG1-CG 4.24Å; M56-I58 HydrophobicContact CB-CD1 4.3Å; M56-I58 HydrophobicContact CB-CG1 4.05Å
57E97.8Very high93.8Very high42 Ų4245.4 Ų45.420%0.19625%0.249CC..EExtended strand (participates in β ladder)trans-103.6120.4157.4-69.3-173.8165.100107.5E6 V7 K8 L9 Y43 R44 W76E6-E57 HydrophobicContact CG-CG 4.39Å; V7-E57 PolarHBondContact O-N 3.03Å; K8-E57 CarbonylContact C-O 3.57Å; K8-E57 WeakPolarHBondContact CA-O 3.4Å; K8-E57 WeakPolarHBondContact CE-OE2 3.12Å; K8-E57 HydrophobicContact CG-CB 4.29Å; L9-E57 PolarHBondContact N-O 3.11Å; Y43-E57 CarbonylContact O-C 3.57Å; Y43-E57 WeakPolarHBondContact O-CA 3.42Å; R44-E57 IonicContact NH1-OE1 3.87Å; R44-E57 PolarHBondContact NH1-OE1 3.32Å; E57-W76 HydrophobicContact CB-CH2 4.08Å; E57-W76 HydrophobicContact CB-CZ2 4Å
58I98.3Very high93.9Very high0 Ų052.1 Ų52.10%028%0.279CS..EExtended strand (participates in β ladder)trans-114.9114.7-173.6-57.7171.9000108.2L9 V11 V23 F26 L27 T42 Y43 M56 F161L9-I58 HydrophobicContact CB-CG1 4.33Å; L9-I58 HydrophobicContact CD1-CG1 4.36Å; L9-I58 CarbonylContact O-C 3.6Å; L9-I58 WeakPolarHBondContact O-CA 3.42Å; V11-I58 HydrophobicContact CG2-CG2 4.09Å; V23-I58 HydrophobicContact CG1-CG2 4.09Å; V23-I58 HydrophobicContact CG2-CG2 4.04Å; F26-I58 HydrophobicContact CD1-CD1 3.72Å; F26-I58 HydrophobicContact CE1-CD1 3.63Å; L27-I58 HydrophobicContact CD2-CD1 4.21Å; T42-I58 CarbonylContact C-O 3.52Å; T42-I58 WeakPolarHBondContact CA-O 3.45Å; Y43-I58 PolarHBondContact N-O 3.45Å; Y43-I58 PolarHBondContact O-N 3.34Å; M56-I58 HydrophobicContact CB-CD1 4.3Å; M56-I58 HydrophobicContact CB-CG1 4.05Å; I58-F161 HydrophobicContact CD1-CD1 4.29Å; I58-F161 HydrophobicContact CD1-CE1 4.26Å; I58-F161 HydrophobicContact CG2-CE1 4.17Å
59L98.1Very high94Very high4 Ų452.1 Ų52.12%0.02127%0.272CS..EExtended strand (participates in β ladder)trans-88.5112.5170.8176.565.4000109.2L9 A10 V11 E40 T61 H73 W76L9-L59 PolarHBondContact O-N 3.27Å; A10-L59 HydrophobicContact CB-CB 4.38Å; A10-L59 HydrophobicContact CB-CD2 4.35Å; V11-L59 PolarHBondContact N-O 3.27Å; E40-L59 HydrophobicContact CG-CD1 3.66Å; L59-T61 HydrophobicContact CD2-CG2 4.22Å; L59-T61 HydrophobicContact CG-CG2 4.08Å; L59-H73 HydrophobicContact CD2-CB 3.66Å; L59-H73 WeakPolarHBondContact CD2-ND1 3.19Å; L59-W76 HydrophobicContact CB-CE3 4.06Å; L59-W76 HydrophobicContact CB-CH2 3.77Å; L59-W76 HydrophobicContact CB-CZ3 3.39Å; L59-W76 HydrophobicContact CD2-CE3 4.03Å; L59-W76 HydrophobicContact CD2-CZ3 4.21Å; L59-W76 HydrophobicContact CG-CZ3 4.45Å
60D96.7Very high94.1Very high2 Ų254.4 Ų54.41%0.01128%0.282CS..EExtended strand (participates in β ladder)trans-91.9110.1168.7-178.530.9000108.7S20 V23 E40 S41 Y43S20-D60 WeakPolarHBondContact CA-OD1 3.42Å; S20-D60 WeakPolarHBondContact CA-OD2 3.43Å; S20-D60 WeakPolarHBondContact CB-OD2 3.4Å; S20-D60 PolarHBondContact N-OD1 3.22Å; S20-D60 PolarHBondContact OG-OD1 2.83Å; S20-D60 PolarHBondContact OG-OD2 3.36Å; V23-D60 HydrophobicContact CG1-CB 4.45Å; V23-D60 HydrophobicContact CG2-CB 4.15Å; E40-D60 WeakPolarHBondContact CA-O 3.35Å; E40-D60 WeakPolarHBondContact CG-O 3.34Å; S41-D60 PolarHBondContact N-O 3.31Å; S41-D60 PolarHBondContact O-N 3.06Å; Y43-D60 HydrophobicContact CD2-CB 4.38Å; Y43-D60 HydrophobicContact CE2-CB 3.85Å
61T96.3Very high94.2Very high0 Ų053.2 Ų53.20%027%0.274CS..  trans-86.4158.318083.90000110.5V11 F12 K19 L59 E65V11-T61 VanDerWaalsContact O-CG2 3.28Å; V11-T61 WeakPolarHBondContact O-CG2 3.39Å; V11-T61 PolarHBondContact O-OG1 3.27Å; V11-T61 VanDerWaalsContact O-OG1 3.1Å; F12-T61 HydrophobicContact CD1-CG2 4.27Å; F12-T61 HydrophobicContact CE1-CG2 4.12Å; K19-T61 WeakPolarHBondContact CE-O 3.33Å; L59-T61 HydrophobicContact CD2-CG2 4.22Å; L59-T61 HydrophobicContact CG-CG2 4.08Å; T61-E65 WeakPolarHBondContact CB-OE1 3.39Å; T61-E65 PolarHBondContact OG1-OE1 3.4Å
62A91.4Very high94.5Very high17 Ų1749 Ų4914%0.1426%0.256CS..  trans-69.9-33.3175.400000112.2K19 E65K19-A62 PolarHBondContact NZ-O 3.19Å; A62-E65 WeakPolarHBondContact CA-OE1 3.36Å; A62-E65 WeakPolarHBondContact CB-OE1 3.33Å; A62-E65 PolarHBondContact N-OE1 3.01Å
63G88.4Confident94.9Very high13 Ų1345 Ų4513%0.13424%0.238CC..SBendtrans85.218.6-173.600000114.1G13 A15 K19 E65G13-G63 VanDerWaalsContact O-CA 3.26Å; G13-G63 WeakPolarHBondContact O-CA 3.41Å; A15-G63 PolarHBondContact N-O 3.3Å; K19-G63 VanDerWaalsContact NZ-CA 3.31Å; G63-E65 WeakPolarHBondContact CA-OE2 3.44Å; G63-E65 PolarHBondContact N-OE1 3.44Å; G63-E65 PolarHBondContact N-OE2 3Å
64Q90.5Very high95Very high154 Ų15442.1 Ų42.172%0.7222%0.22SC*.  trans-127.118.7171.7-59.1-157.4-21.200111.9A15A15-Q64 HydrophobicContact CB-CG 3.68Å
65E91.8Very high95.1Very high11 Ų1148.6 Ų48.65%0.05124%0.244CC..  trans-62.5142.8-178.9-60.874.8-148.900110.7T61 A62 G63 Q69 K70T61-E65 WeakPolarHBondContact CB-OE1 3.39Å; T61-E65 PolarHBondContact OG1-OE1 3.4Å; A62-E65 WeakPolarHBondContact CA-OE1 3.36Å; A62-E65 WeakPolarHBondContact CB-OE1 3.33Å; A62-E65 PolarHBondContact N-OE1 3.01Å; G63-E65 WeakPolarHBondContact CA-OE2 3.44Å; G63-E65 PolarHBondContact N-OE1 3.44Å; G63-E65 PolarHBondContact N-OE2 3Å; E65-Q69 HydrophobicContact CB-CB 3.82Å; E65-Q69 HydrophobicContact CG-CB 4.26Å; E65-K70 HydrophobicContact CB-CG 3.75Å; E65-K70 VanDerWaalsContact O-CE 3.24Å; E65-K70 WeakPolarHBondContact O-CE 3.41Å; E65-K70 PolarHBondContact O-NZ 3.46Å
66D93.5Very high95.1Very high83 Ų8351.2 Ų51.244%0.44425%0.252SS..  trans-68.5169.9165.571.936000111.1Q68 Q69 K70D66-Q68 VanDerWaalsContact C-N 3.26Å; D66-Q68 PolarHBondContact O-N 3.09Å; D66-Q68 WeakPolarHBondContact OD1-CA 3.49Å; D66-Q68 WeakPolarHBondContact OD1-CB 3.17Å; D66-Q68 PolarHBondContact OD1-N 3.4Å; D66-Q69 VanDerWaalsContact N-OE1 3.09Å; D66-Q69 PolarHBondContact O-N 3.33Å; D66-Q69 WeakPolarHBondContact OD1-CG 3.35Å; D66-Q69 PolarHBondContact OD1-N 2.99Å; D66-K70 WeakPolarHBondContact O-CG 2.96Å; D66-K70 PolarHBondContact O-N 3.47Å
67T92.8Very high95.1Very high85 Ų8551.2 Ų51.252%0.52125%0.252SS..Hα-helixtrans-59.3-38.1-178.5-540000112.2K70 E71 L101T67-K70 PolarHBondContact O-N 2.97Å; T67-E71 WeakPolarHBondContact O-CG 3.38Å; T67-E71 PolarHBondContact O-N 2.97Å; T67-L101 HydrophobicContact CG2-CD2 4.46Å
68Q95.5Very high94.9Very high156 Ų15652 Ų5273%0.72926%0.258SS*.Hα-helixtrans-68.2-41.7-177.3-175.2178.110.100111.4D66 E71 S72D66-Q68 VanDerWaalsContact C-N 3.26Å; D66-Q68 PolarHBondContact O-N 3.09Å; D66-Q68 WeakPolarHBondContact OD1-CA 3.49Å; D66-Q68 WeakPolarHBondContact OD1-CB 3.17Å; D66-Q68 PolarHBondContact OD1-N 3.4Å; Q68-E71 PolarHBondContact O-N 3.38Å; Q68-S72 PolarHBondContact O-N 3.48Å
69Q95.6Very high94.9Very high91 Ų9152 Ų5243%0.42526%0.258SS..Hα-helixtrans-62.3-49.3173.6-71.2178-56.100110.8E65 D66 E71 S72 H73E65-Q69 HydrophobicContact CB-CB 3.82Å; E65-Q69 HydrophobicContact CG-CB 4.26Å; D66-Q69 VanDerWaalsContact N-OE1 3.09Å; D66-Q69 PolarHBondContact O-N 3.33Å; D66-Q69 WeakPolarHBondContact OD1-CG 3.35Å; D66-Q69 PolarHBondContact OD1-N 2.99Å; Q69-E71 VanDerWaalsContact C-N 3.32Å; Q69-E71 PolarHBondContact O-N 2.97Å; Q69-S72 WeakPolarHBondContact O-CB 3.41Å; Q69-S72 PolarHBondContact O-N 3.42Å; Q69-H73 VanDerWaalsContact C-CD2 3.48Å; Q69-H73 PolarHBondContact O-CD2 2.75Å; Q69-H73 VanDerWaalsContact O-CG 3.26Å; Q69-H73 PolarHBondContact O-N 3.25Å; Q69-H73 PolarHBondContact O-NE2 3.08Å
70K96.1Very high94.9Very high51 Ų5151.8 Ų51.822%0.22226%0.257CS..Hα-helixtrans-53.1-49.4175.6-72.7171.4174.1137.40111.7F12 E65 D66 T67 S72 H73 M74 L98 L101F12-K70 HydrophobicContact CE1-CB 4.44Å; F12-K70 HydrophobicContact CE1-CG 4.28Å; E65-K70 HydrophobicContact CB-CG 3.75Å; E65-K70 VanDerWaalsContact O-CE 3.24Å; E65-K70 WeakPolarHBondContact O-CE 3.41Å; E65-K70 PolarHBondContact O-NZ 3.46Å; D66-K70 WeakPolarHBondContact O-CG 2.96Å; D66-K70 PolarHBondContact O-N 3.47Å; T67-K70 PolarHBondContact O-N 2.97Å; K70-S72 VanDerWaalsContact C-N 3.33Å; K70-S72 PolarHBondContact O-N 3.27Å; K70-H73 PolarHBondContact O-N 3.11Å; K70-M74 WeakPolarHBondContact O-CB 3.33Å; K70-M74 WeakPolarHBondContact O-CG 3.43Å; K70-M74 PolarHBondContact O-N 3.03Å; K70-L98 HydrophobicContact CD-CD2 4.43Å; K70-L101 HydrophobicContact CB-CD2 4.03Å; K70-L101 HydrophobicContact CD-CD2 4.46Å
71E96.3Very high94.9Very high63 Ų6351.7 Ų51.729%0.29426%0.257SS..Hα-helixtrans-60-41.9177.1-74.3-167-147.300112.7T67 Q68 Q69 M74 R75 L101 V105T67-E71 WeakPolarHBondContact O-CG 3.38Å; T67-E71 PolarHBondContact O-N 2.97Å; Q68-E71 PolarHBondContact O-N 3.38Å; Q69-E71 VanDerWaalsContact C-N 3.32Å; Q69-E71 PolarHBondContact O-N 2.97Å; E71-M74 CarbonylContact O-C 3.6Å; E71-M74 PolarHBondContact O-N 2.76Å; E71-R75 VanDerWaalsContact O-CG 3.3Å; E71-R75 WeakPolarHBondContact O-CG 3.34Å; E71-R75 PolarHBondContact O-N 3.11Å; E71-R75 IonicContact OE2-CZ 2.65Å; E71-R75 IonicContact OE2-NH2 2.85Å; E71-R75 PolarHBondContact OE2-NH2 3.39Å; E71-L101 HydrophobicContact CG-CD1 4.08Å; E71-V105 HydrophobicContact CB-CG2 4.12Å; E71-V105 HydrophobicContact CG-CG2 3.66Å
72S96.8Very high95.1Very high71 Ų7151.9 Ų51.950%0.49726%0.258SS..Hα-helixtrans-60.3-48.7177.8-174.20000111.5Q68 Q69 K70 M74 R75 W76Q68-S72 PolarHBondContact O-N 3.48Å; Q69-S72 WeakPolarHBondContact O-CB 3.41Å; Q69-S72 PolarHBondContact O-N 3.42Å; K70-S72 VanDerWaalsContact C-N 3.33Å; K70-S72 PolarHBondContact O-N 3.27Å; S72-M74 VanDerWaalsContact C-N 3.34Å; S72-M74 PolarHBondContact O-N 2.94Å; S72-R75 WeakPolarHBondContact O-CB 3.42Å; S72-R75 PolarHBondContact O-N 2.73Å; S72-R75 VanDerWaalsContact O-N 3.14Å; S72-W76 PolarHBondContact O-N 3.35Å
73H97Very high95.4Very high21 Ų2151.1 Ų51.110%0.09725%0.251CS..Hα-helixtrans-63.7-39.6176.5-57.9-40000111.8F12 E40 L59 Q69 K70 R75 W76 G77F12-H73 HydrophobicContact CE1-CB 4.26Å; F12-H73 HydrophobicContact CZ-CB 3.64Å; E40-H73 IonicContact OE1-CE1 3.28Å; E40-H73 PolarHBondContact OE1-CE1 3.47Å; E40-H73 IonicContact OE2-CD2 3.56Å; E40-H73 IonicContact OE2-CE1 3.34Å; E40-H73 PolarHBondContact OE2-CE1 3.09Å; E40-H73 IonicContact OE2-ND1 3.59Å; E40-H73 IonicContact OE2-NE2 3.83Å; E40-H73 PolarHBondContact OE2-NE2 3.41Å; L59-H73 HydrophobicContact CD2-CB 3.66Å; L59-H73 WeakPolarHBondContact CD2-ND1 3.19Å; Q69-H73 VanDerWaalsContact C-CD2 3.48Å; Q69-H73 PolarHBondContact O-CD2 2.75Å; Q69-H73 VanDerWaalsContact O-CG 3.26Å; Q69-H73 PolarHBondContact O-N 3.25Å; Q69-H73 PolarHBondContact O-NE2 3.08Å; K70-H73 PolarHBondContact O-N 3.11Å; H73-R75 VanDerWaalsContact C-N 3.33Å; H73-R75 PolarHBondContact O-N 2.95Å; H73-W76 WeakPolarHBondContact O-CB 3.46Å; H73-W76 PolarHBondContact O-N 3.31Å; H73-G77 PolarHBondContact O-N 3.42Å
74M96.5Very high95.9Very high2 Ų250.5 Ų50.51%0.0125%0.245CC..Hα-helixtrans-63.8-35.8173-72.5176.8-178.900112.2F12 K70 E71 S72 F80 L98 L101 L102 V105 K106F12-M74 HydrophobicContact CE2-CG 3.97Å; F12-M74 HydrophobicContact CZ-CE 4.42Å; F12-M74 HydrophobicContact CZ-CG 3.77Å; K70-M74 WeakPolarHBondContact O-CB 3.33Å; K70-M74 WeakPolarHBondContact O-CG 3.43Å; K70-M74 PolarHBondContact O-N 3.03Å; E71-M74 CarbonylContact O-C 3.6Å; E71-M74 PolarHBondContact O-N 2.76Å; S72-M74 VanDerWaalsContact C-N 3.34Å; S72-M74 PolarHBondContact O-N 2.94Å; M74-F80 HydrophobicContact CB-CE1 4.42Å; M74-F80 HydrophobicContact CG-CE1 4.32Å; M74-F80 WeakPolarHBondContact O-CZ 3.27Å; M74-L98 HydrophobicContact CE-CD2 4.39Å; M74-L101 HydrophobicContact CE-CB 4.19Å; M74-L101 HydrophobicContact CE-CD2 3.91Å; M74-L101 HydrophobicContact CE-CG 4.05Å; M74-L101 HydrophobicContact SD-CB 4.34Å; M74-L101 HydrophobicContact SD-CD2 4.06Å; M74-L101 HydrophobicContact SD-CG 3.79Å; M74-L102 HydrophobicContact CB-CD1 4.04Å; M74-L102 HydrophobicContact CE-CB 4.2Å; M74-L102 HydrophobicContact CG-CD1 3.72Å; M74-L102 HydrophobicContact SD-CB 4.12Å; M74-L102 HydrophobicContact SD-CD1 4.04Å; M74-V105 HydrophobicContact CB-CB 4.18Å; M74-V105 HydrophobicContact CB-CG1 3.63Å; M74-V105 HydrophobicContact CB-CG2 4.46Å; M74-V105 HydrophobicContact SD-CB 4.44Å; M74-V105 HydrophobicContact SD-CG2 4.18Å; M74-K106 WeakPolarHBondContact O-CE 3.4Å; M74-K106 PolarHBondContact O-NZ 2.87Å
75R95.4Very high96.3Very high139 Ų13943.6 Ų43.653%0.52521%0.213SC..Hα-helixtrans-67.3-39.1172.9-71.7176-156.5-57.1-6.9111E71 S72 H73 V105 K106E71-R75 VanDerWaalsContact O-CG 3.3Å; E71-R75 WeakPolarHBondContact O-CG 3.34Å; E71-R75 PolarHBondContact O-N 3.11Å; E71-R75 IonicContact OE2-CZ 2.65Å; E71-R75 IonicContact OE2-NH2 2.85Å; E71-R75 PolarHBondContact OE2-NH2 3.39Å; S72-R75 WeakPolarHBondContact O-CB 3.42Å; S72-R75 PolarHBondContact O-N 2.73Å; S72-R75 VanDerWaalsContact O-N 3.14Å; H73-R75 VanDerWaalsContact C-N 3.33Å; H73-R75 PolarHBondContact O-N 2.95Å; R75-V105 HydrophobicContact CG-CG1 3.58Å; R75-V105 PolarHBondContact NH1-O 3.19Å; R75-K106 PolarHBondContact O-NZ 2.96Å
76W95.4Very high96.6Very high70 Ų7043 Ų4327%0.26521%0.21SC..Hα-helixtrans-67.7-43.6179.9175.695.3000114.3K8 L9 A10 T42 E57 L59 S72 H73K8-W76 HydrophobicContact CB-CD2 4.38Å; K8-W76 HydrophobicContact CB-CE3 4.2Å; K8-W76 HydrophobicContact CB-CH2 3.8Å; K8-W76 HydrophobicContact CB-CZ2 4.01Å; K8-W76 HydrophobicContact CB-CZ3 3.9Å; K8-W76 HydrophobicContact CD-CD2 4.1Å; K8-W76 HydrophobicContact CD-CG 4.45Å; K8-W76 HydrophobicContact CD-CZ2 3.91Å; K8-W76 WeakPolarHBondContact CD-O 3.06Å; K8-W76 HydrophobicContact CG-CH2 4.09Å; K8-W76 HydrophobicContact CG-CZ2 3.81Å; L9-W76 WeakPolarHBondContact O-CZ3 3.43Å; A10-W76 HydrophobicContact CB-CZ3 4.38Å; T42-W76 HydrophobicContact CG2-CZ2 4.4Å; E57-W76 HydrophobicContact CB-CH2 4.08Å; E57-W76 HydrophobicContact CB-CZ2 4Å; L59-W76 HydrophobicContact CB-CE3 4.06Å; L59-W76 HydrophobicContact CB-CH2 3.77Å; L59-W76 HydrophobicContact CB-CZ3 3.39Å; L59-W76 HydrophobicContact CD2-CE3 4.03Å; L59-W76 HydrophobicContact CD2-CZ3 4.21Å; L59-W76 HydrophobicContact CG-CZ3 4.45Å; S72-W76 PolarHBondContact O-N 3.35Å; H73-W76 WeakPolarHBondContact O-CB 3.46Å; H73-W76 PolarHBondContact O-N 3.31Å
77G96Very high96.9Very high0 Ų040.3 Ų40.30%020%0.196CC..  trans-74.9141.6-172.700000114.2H73 F80 K106H73-G77 PolarHBondContact O-N 3.42Å; G77-F80 VanDerWaalsContact O-CZ 3.29Å; G77-F80 WeakPolarHBondContact O-CZ 2.91Å; G77-K106 WeakPolarHBondContact O-CE 3.39Å; G77-K106 PolarHBondContact O-NZ 2.69Å
78D95.1Very high97.2Very high59 Ų5938.6 Ų38.632%0.31618%0.184SC..SBendtrans-84-36170.7-64.9-46.9000111.9K8 L168K8-D78 PolarHBondContact N-OD2 3.36Å; K8-D78 WeakPolarHBondContact O-CA 3.4Å; K8-D78 WeakPolarHBondContact O-CB 3.44Å; K8-D78 PolarHBondContact O-N 3.17Å; D78-L168 HydrophobicContact CB-CD1 4.49Å; D78-L168 HydrophobicContact CB-CD2 3.83Å; D78-L168 WeakPolarHBondContact O-CD2 3.47Å
79G96.8Very high97.3Very high0 Ų035.7 Ų35.70%017%0.166CC..EExtended strand (participates in β ladder)trans-139.2159.7178.100000112K8 L9 A10 P112K8-G79 PolarHBondContact O-N 3Å; K8-G79 VanDerWaalsContact O-N 3.09Å; L9-G79 WeakPolarHBondContact CA-O 3.41Å; A10-G79 PolarHBondContact N-O 2.65Å; G79-P112 WeakPolarHBondContact CA-O 3.29Å
80F98.1Very high97.4Very high0 Ų032.3 Ų32.30%016%0.156CC..EExtended strand (participates in β ladder)trans-131.1133.8-166.6-59.7-85.1000111.8A10 F12 M74 G77 L102 K106 V111 P112 L113 V114A10-F80 HydrophobicContact CB-CD1 3.92Å; A10-F80 HydrophobicContact CB-CE1 3.91Å; A10-F80 WeakPolarHBondContact O-CA 3.47Å; F12-F80 AromaticContact CD2-CD1 3.97Å; F12-F80 HydrophobicContact CD2-CD1 3.97Å; F12-F80 AromaticContact CE2-CD1 3.69Å; F12-F80 HydrophobicContact CE2-CD1 3.69Å; F12-F80 AromaticContact CE2-CE1 3.93Å; F12-F80 HydrophobicContact CE2-CE1 3.93Å; M74-F80 HydrophobicContact CB-CE1 4.42Å; M74-F80 HydrophobicContact CG-CE1 4.32Å; M74-F80 WeakPolarHBondContact O-CZ 3.27Å; G77-F80 VanDerWaalsContact O-CZ 3.29Å; G77-F80 WeakPolarHBondContact O-CZ 2.91Å; F80-L102 HydrophobicContact CB-CD2 4.12Å; F80-L102 HydrophobicContact CD1-CD1 3.87Å; F80-L102 HydrophobicContact CD2-CD1 3.75Å; F80-L102 HydrophobicContact CD2-CD2 3.8Å; F80-L102 HydrophobicContact CD2-CG 4.36Å; F80-L102 HydrophobicContact CE1-CD1 3.75Å; F80-L102 HydrophobicContact CE2-CD1 3.63Å; F80-L102 HydrophobicContact CE2-CD2 4.46Å; F80-L102 HydrophobicContact CG-CD1 3.88Å; F80-L102 HydrophobicContact CG-CD2 3.84Å; F80-L102 HydrophobicContact CZ-CD1 3.62Å; F80-K106 HydrophobicContact CE2-CG 4.47Å; F80-V111 HydrophobicContact CD2-CG1 3.35Å; F80-V111 HydrophobicContact CE2-CG1 3.32Å; F80-P112 PolarHBondContact N-O 3.26Å; F80-L113 HydrophobicContact CB-CD1 3.85Å; F80-L113 CarbonylContact O-C 3.35Å; F80-L113 VanDerWaalsContact O-CA 3.26Å; F80-L113 WeakPolarHBondContact O-CA 3.32Å; F80-V114 PolarHBondContact O-N 3.31Å
81V98.7Very high97.6Very high0 Ų030 Ų300%015%0.146CC..EExtended strand (participates in β ladder)trans-105.8118.3166.5-176.20000106.5A10 V11 F12 V83 V114 V116 F161 L164A10-V81 PolarHBondContact O-N 3.28Å; V11-V81 CarbonylContact C-O 3.55Å; V11-V81 WeakPolarHBondContact CA-O 3.3Å; V11-V81 HydrophobicContact CG1-CB 4.32Å; V11-V81 HydrophobicContact CG1-CG1 4.47Å; V11-V81 HydrophobicContact CG2-CB 4.29Å; F12-V81 PolarHBondContact N-O 2.64Å; V81-V83 HydrophobicContact CG1-CG2 3.9Å; V81-V114 WeakPolarHBondContact CA-O 2.99Å; V81-V116 HydrophobicContact CG1-CB 4.42Å; V81-V116 HydrophobicContact CG1-CG2 3.71Å; V81-F161 HydrophobicContact CG2-CD1 4.47Å; V81-F161 HydrophobicContact CG2-CE1 4.23Å; V81-F161 HydrophobicContact CG2-CZ 4.44Å; V81-L164 HydrophobicContact CG2-CD2 3.66Å
82I98.6Very high97.7Very high4 Ų427.7 Ų27.72%0.02114%0.135CC..EExtended strand (participates in β ladder)trans-102.6123.8171-65.4178.6000107.9F12 V95 L98 L113 V114 L115 V116F12-I82 HydrophobicContact CB-CG1 4.39Å; F12-I82 WeakPolarHBondContact O-CA 3.33Å; I82-V95 HydrophobicContact CG2-CB 4.29Å; I82-V95 HydrophobicContact CG2-CG1 3.98Å; I82-V95 HydrophobicContact CG2-CG2 3.91Å; I82-L98 HydrophobicContact CD1-CB 4.07Å; I82-L98 HydrophobicContact CG2-CD1 4.31Å; I82-L113 HydrophobicContact CB-CD1 4.33Å; I82-L113 HydrophobicContact CD1-CD1 3.53Å; I82-L113 HydrophobicContact CG1-CD1 3.62Å; I82-V114 PolarHBondContact N-O 2.96Å; I82-L115 HydrophobicContact CB-CD1 4.45Å; I82-L115 HydrophobicContact CG2-CD1 4.31Å; I82-V116 PolarHBondContact O-N 2.68Å
83V98.8Very high97.8Very high0 Ų028.4 Ų28.40%013%0.133CC..EExtended strand (participates in β ladder)trans-111.6132.7-175.2-171.30000109.4V11 F12 G13 V17 K19 L22 V81 V116 N118V11-V83 HydrophobicContact CG1-CG2 3.76Å; F12-V83 PolarHBondContact O-N 3.41Å; G13-V83 WeakPolarHBondContact CA-O 3.46Å; V17-V83 HydrophobicContact CB-CG1 4.27Å; V17-V83 HydrophobicContact CG2-CB 3.92Å; V17-V83 HydrophobicContact CG2-CG1 3.77Å; K19-V83 HydrophobicContact CG-CB 4.31Å; K19-V83 HydrophobicContact CG-CG2 4.37Å; L22-V83 HydrophobicContact CD1-CB 4.39Å; L22-V83 HydrophobicContact CD1-CG1 3.59Å; L22-V83 HydrophobicContact CD1-CG2 3.81Å; V81-V83 HydrophobicContact CG1-CG2 3.9Å; V83-V116 WeakPolarHBondContact CA-O 3.43Å; V83-V116 HydrophobicContact CG2-CB 4.39Å; V83-N118 HydrophobicContact CG1-CB 3.83Å
84Y98.9Very high97.8Very high0 Ų030.7 Ų30.70%014%0.144CC..EExtended strand (participates in β ladder)trans-123165.8163.472.9-86.9000109.9I86 F92 V95 L115 V116 G117 N118 V128 F144Y84-I86 HydrophobicContact CE2-CG2 3.93Å; Y84-F92 AromaticContact CD1-CD2 3.93Å; Y84-F92 HydrophobicContact CD1-CD2 3.93Å; Y84-F92 HydrophobicContact CD2-CB 3.88Å; Y84-F92 AromaticContact CD2-CD2 3.81Å; Y84-F92 HydrophobicContact CD2-CD2 3.81Å; Y84-F92 HydrophobicContact CD2-CG 4.32Å; Y84-F92 AromaticContact CE1-CD2 3.82Å; Y84-F92 HydrophobicContact CE1-CD2 3.82Å; Y84-F92 HydrophobicContact CE1-CE2 4.17Å; Y84-F92 HydrophobicContact CE2-CB 4.43Å; Y84-F92 AromaticContact CE2-CD2 3.74Å; Y84-F92 HydrophobicContact CE2-CD2 3.74Å; Y84-F92 HydrophobicContact CE2-CE2 4.48Å; Y84-F92 HydrophobicContact CE2-CG 4.47Å; Y84-F92 HydrophobicContact CG-CB 4.17Å; Y84-F92 AromaticContact CG-CD2 3.91Å; Y84-F92 HydrophobicContact CG-CD2 3.91Å; Y84-F92 AromaticContact CZ-CD2 3.74Å; Y84-V95 HydrophobicContact CD1-CG2 4.29Å; Y84-L115 HydrophobicContact CD1-CD1 3.86Å; Y84-L115 HydrophobicContact CD1-CG 4.35Å; Y84-L115 HydrophobicContact CE1-CD1 4.07Å; Y84-L115 HydrophobicContact CE1-CD2 4.22Å; Y84-L115 HydrophobicContact CE1-CG 4.06Å; Y84-V116 WeakPolarHBondContact CD1-O 3.07Å; Y84-V116 PolarHBondContact N-O 3.19Å; Y84-G117 VanDerWaalsContact CE1-CA 3.44Å; Y84-G117 VanDerWaalsContact CZ-CA 3.44Å; Y84-N118 PolarHBondContact O-N 2.92Å; Y84-V128 HydrophobicContact CE2-CB 4.04Å; Y84-V128 HydrophobicContact CE2-CG1 3.82Å; Y84-V128 HydrophobicContact CE2-CG2 4.38Å; Y84-F144 AromaticContact CE1-CE2 3.96Å; Y84-F144 HydrophobicContact CE1-CE2 3.96Å; Y84-F144 WeakPolarHBondContact OH-CE2 3.49Å; Y84-F144 WeakPolarHBondContact OH-CZ 3.46Å
85D98.6Very high97.9Very high9 Ų930.6 Ų30.65%0.04814%0.144CC..EExtended strand (participates in β ladder)trans-101.2124.7174.1176.5-8000108.8V17 T87 D88 S91 K119V17-D85 HydrophobicContact CB-CB 4.18Å; V17-D85 HydrophobicContact CG1-CB 4.09Å; D85-T87 PolarHBondContact O-N 3.36Å; D85-T87 WeakPolarHBondContact OD1-CA 3.46Å; D85-T87 WeakPolarHBondContact OD1-CB 3.49Å; D85-T87 PolarHBondContact OD1-N 3.36Å; D85-T87 PolarHBondContact OD1-OG1 3.31Å; D85-T87 PolarHBondContact OD2-OG1 3.19Å; D85-D88 HydrophobicContact CB-CB 4.16Å; D85-D88 PolarHBondContact O-N 2.84Å; D85-S91 PolarHBondContact N-OG 2.74Å; D85-S91 PolarHBondContact O-OG 2.67Å; D85-K119 WeakPolarHBondContact OD1-CD 3.19Å; D85-K119 VanDerWaalsContact OD2-CD 3.3Å; D85-K119 WeakPolarHBondContact OD2-CD 3.48Å; D85-K119 WeakPolarHBondContact OD2-CE 3.41Å; D85-K119 IonicContact OD2-NZ 3.9Å; D85-K119 PolarHBondContact OD2-NZ 3.36Å
86I98.8Very high98Very high0 Ų026.5 Ų26.50%014%0.139CC..THydrogen-bonded Turntrans-62.3-17.3-179.565.6153.7000112.9Y84 N118 K119 R126 Q127 V128Y84-I86 HydrophobicContact CE2-CG2 3.93Å; I86-N118 WeakPolarHBondContact CG1-O 3.27Å; I86-N118 PolarHBondContact N-O 2.82Å; I86-K119 WeakPolarHBondContact CD1-O 3.39Å; I86-K119 WeakPolarHBondContact CG1-O 3.31Å; I86-R126 HydrophobicContact CD1-CB 4.34Å; I86-R126 HydrophobicContact CD1-CG 4.34Å; I86-Q127 PolarHBondContact O-N 2.88Å; I86-V128 PolarHBondContact O-N 3.33Å; I86-V128 VanDerWaalsContact O-N 3.08Å
87T98.8Very high98Very high25 Ų2527.3 Ų27.315%0.15315%0.153CC..THydrogen-bonded Turntrans-96.2-1.517873.70000113.7D85 L122 A125 Q127D85-T87 PolarHBondContact O-N 3.36Å; D85-T87 WeakPolarHBondContact OD1-CA 3.46Å; D85-T87 WeakPolarHBondContact OD1-CB 3.49Å; D85-T87 PolarHBondContact OD1-N 3.36Å; D85-T87 PolarHBondContact OD1-OG1 3.31Å; D85-T87 PolarHBondContact OD2-OG1 3.19Å; T87-L122 HydrophobicContact CG2-CB 3.62Å; T87-L122 HydrophobicContact CG2-CD1 4.15Å; T87-A125 WeakPolarHBondContact CB-O 3.49Å; T87-A125 HydrophobicContact CG2-CB 3.94Å; T87-Q127 WeakPolarHBondContact O-CG 3.27Å; T87-Q127 PolarHBondContact O-NE2 2.84Å; T87-Q127 PolarHBondContact O-OE1 3.38Å
88D98.7Very high98Very high49 Ų4928.1 Ų28.126%0.26216%0.158SC..  trans-127.598.6174.917512.5000110.4R14 D85 G90 S91 F92R14-D88 IonicContact CZ-OD2 3.92Å; R14-D88 IonicContact NH1-OD1 3.34Å; R14-D88 PolarHBondContact NH1-OD1 3.45Å; R14-D88 IonicContact NH1-OD2 2.97Å; R14-D88 PolarHBondContact NH1-OD2 3.43Å; D85-D88 HydrophobicContact CB-CB 4.16Å; D85-D88 PolarHBondContact O-N 2.84Å; D88-G90 PolarHBondContact O-N 3.38Å; D88-G90 WeakPolarHBondContact OD1-CA 3.37Å; D88-G90 PolarHBondContact OD1-N 3.3Å; D88-S91 WeakPolarHBondContact O-CB 3.38Å; D88-S91 PolarHBondContact O-N 3.05Å; D88-S91 PolarHBondContact O-OG 3.3Å; D88-S91 PolarHBondContact OD1-N 3.42Å; D88-S91 WeakPolarHBondContact OD2-CB 3.34Å; D88-S91 PolarHBondContact OD2-N 3.33Å; D88-F92 PolarHBondContact O-N 2.92Å
89R98.6Very high98Very high96 Ų9626.6 Ų26.636%0.36215%0.147SC..Hα-helixtrans-55.2-36.7176.4178.359.3179.7-125.35.8113S91 F92 D93 Q127 E132R89-S91 VanDerWaalsContact C-N 3.26Å; R89-S91 PolarHBondContact O-N 3.44Å; R89-F92 WeakPolarHBondContact O-CB 3.23Å; R89-F92 PolarHBondContact O-N 3.36Å; R89-F92 VanDerWaalsContact O-N 3.1Å; R89-D93 IonicContact CZ-OD1 2.64Å; R89-D93 IonicContact NE-OD1 3.05Å; R89-D93 PolarHBondContact NE-OD1 3.38Å; R89-D93 IonicContact NE-OD2 3.82Å; R89-D93 IonicContact NH2-OD1 3.41Å; R89-D93 PolarHBondContact O-N 2.99Å; R89-Q127 HydrophobicContact CB-CB 4.3Å; R89-Q127 VanDerWaalsContact N-OE1 3.13Å; R89-E132 IonicContact CZ-OE1 2.81Å; R89-E132 IonicContact NH1-OE1 3.71Å; R89-E132 PolarHBondContact NH1-OE1 2.96Å; R89-E132 IonicContact NH1-OE2 3.62Å; R89-E132 IonicContact NH2-OE1 2.66Å
90G98.6Very high97.9Very high19 Ų1928 Ų2820%0.19616%0.163CC..Hα-helixtrans-66-30.7-179.800000112.5R14 D88 F92 D93 E94R14-G90 PolarHBondContact NH2-O 2.82Å; R14-G90 VanDerWaalsContact NH2-O 3.11Å; D88-G90 PolarHBondContact O-N 3.38Å; D88-G90 WeakPolarHBondContact OD1-CA 3.37Å; D88-G90 PolarHBondContact OD1-N 3.3Å; G90-F92 VanDerWaalsContact C-N 3.31Å; G90-D93 PolarHBondContact O-N 3.5Å; G90-E94 PolarHBondContact O-N 2.88Å
91S98.7Very high97.7Very high2 Ų229.4 Ų29.41%0.01417%0.17CC..Hα-helixtrans-67.6-32.9174.176.70000112.5D85 D88 R89D85-S91 PolarHBondContact N-OG 2.74Å; D85-S91 PolarHBondContact O-OG 2.67Å; D88-S91 WeakPolarHBondContact O-CB 3.38Å; D88-S91 PolarHBondContact O-N 3.05Å; D88-S91 PolarHBondContact O-OG 3.3Å; D88-S91 PolarHBondContact OD1-N 3.42Å; D88-S91 WeakPolarHBondContact OD2-CB 3.34Å; D88-S91 PolarHBondContact OD2-N 3.33Å; R89-S91 VanDerWaalsContact C-N 3.26Å; R89-S91 PolarHBondContact O-N 3.44Å
92F98.8Very high97.6Very high16 Ų1629.5 Ų29.57%0.0717%0.17CC..Hα-helixtrans-71.9-42.1174.9178-101.1000111.8Y84 D88 R89 G90 E94 V95 V128 E132 L136Y84-F92 AromaticContact CD1-CD2 3.93Å; Y84-F92 HydrophobicContact CD1-CD2 3.93Å; Y84-F92 HydrophobicContact CD2-CB 3.88Å; Y84-F92 AromaticContact CD2-CD2 3.81Å; Y84-F92 HydrophobicContact CD2-CD2 3.81Å; Y84-F92 HydrophobicContact CD2-CG 4.32Å; Y84-F92 AromaticContact CE1-CD2 3.82Å; Y84-F92 HydrophobicContact CE1-CD2 3.82Å; Y84-F92 HydrophobicContact CE1-CE2 4.17Å; Y84-F92 HydrophobicContact CE2-CB 4.43Å; Y84-F92 AromaticContact CE2-CD2 3.74Å; Y84-F92 HydrophobicContact CE2-CD2 3.74Å; Y84-F92 HydrophobicContact CE2-CE2 4.48Å; Y84-F92 HydrophobicContact CE2-CG 4.47Å; Y84-F92 HydrophobicContact CG-CB 4.17Å; Y84-F92 AromaticContact CG-CD2 3.91Å; Y84-F92 HydrophobicContact CG-CD2 3.91Å; Y84-F92 AromaticContact CZ-CD2 3.74Å; D88-F92 PolarHBondContact O-N 2.92Å; R89-F92 WeakPolarHBondContact O-CB 3.23Å; R89-F92 PolarHBondContact O-N 3.36Å; R89-F92 VanDerWaalsContact O-N 3.1Å; G90-F92 VanDerWaalsContact C-N 3.31Å; F92-E94 PolarHBondContact O-N 3.45Å; F92-V95 VanDerWaalsContact O-CB 3.26Å; F92-V95 WeakPolarHBondContact O-CB 3.37Å; F92-V95 VanDerWaalsContact O-CG2 3.26Å; F92-V95 WeakPolarHBondContact O-CG2 3.31Å; F92-V95 PolarHBondContact O-N 3.28Å; F92-V128 HydrophobicContact CB-CG1 4.41Å; F92-V128 HydrophobicContact CB-CG2 3.76Å; F92-V128 HydrophobicContact CD1-CG1 4.18Å; F92-V128 HydrophobicContact CD1-CG2 4.47Å; F92-V128 HydrophobicContact CD2-CG1 3.76Å; F92-V128 HydrophobicContact CE1-CG1 4.36Å; F92-V128 HydrophobicContact CE2-CG1 3.96Å; F92-V128 HydrophobicContact CG-CG1 3.86Å; F92-V128 HydrophobicContact CG-CG2 4.06Å; F92-V128 HydrophobicContact CZ-CG1 4.25Å; F92-E132 HydrophobicContact CE1-CB 4.44Å; F92-E132 HydrophobicContact CZ-CB 4.08Å; F92-L136 HydrophobicContact CD2-CD2 4.23Å; F92-L136 HydrophobicContact CE1-CD2 4.27Å; F92-L136 HydrophobicContact CE2-CB 4.27Å; F92-L136 HydrophobicContact CE2-CD2 3.51Å; F92-L136 HydrophobicContact CZ-CB 3.96Å; F92-L136 HydrophobicContact CZ-CD2 3.54Å; F92-L136 HydrophobicContact CZ-CG 4.37Å
93D98.5Very high97.3Very high86 Ų8631.9 Ų31.946%0.4618%0.181SC..Hα-helixtrans-63.9-21.8178.4-62.5-26.1000112.4R89 G90 P97R89-D93 IonicContact CZ-OD1 2.64Å; R89-D93 IonicContact NE-OD1 3.05Å; R89-D93 PolarHBondContact NE-OD1 3.38Å; R89-D93 IonicContact NE-OD2 3.82Å; R89-D93 IonicContact NH2-OD1 3.41Å; R89-D93 PolarHBondContact O-N 2.99Å; G90-D93 PolarHBondContact O-N 3.5Å; D93-P97 WeakPolarHBondContact O-CD 3.45Å
94E98.1Very high97Very high68 Ų6838.7 Ų38.732%0.31821%0.213SC..THydrogen-bonded Turntrans-77-14174.1-78.4-175.9-15900114.8R14 G90 F92 P97 L98R14-E94 IonicContact CZ-OE1 3.15Å; R14-E94 IonicContact NE-OE1 2.76Å; R14-E94 PolarHBondContact NE-OE1 3.08Å; R14-E94 IonicContact NE-OE2 3.88Å; R14-E94 IonicContact NH2-OE1 2.68Å; R14-E94 PolarHBondContact NH2-OE1 2.86Å; G90-E94 PolarHBondContact O-N 2.88Å; F92-E94 PolarHBondContact O-N 3.45Å; E94-P97 WeakPolarHBondContact O-CD 3.38Å; E94-L98 WeakPolarHBondContact O-CG 3.35Å; E94-L98 PolarHBondContact O-N 3.16Å; E94-L98 VanDerWaalsContact O-N 3.13Å
95V98.3Very high96.7Very high1 Ų139.3 Ų39.31%0.00622%0.217CC..Hα-helixtrans-63.2-46.7-177.8173.30000111.4I82 Y84 F92 L98 R99 L115 L136 M140I82-V95 HydrophobicContact CG2-CB 4.29Å; I82-V95 HydrophobicContact CG2-CG1 3.98Å; I82-V95 HydrophobicContact CG2-CG2 3.91Å; Y84-V95 HydrophobicContact CD1-CG2 4.29Å; F92-V95 VanDerWaalsContact O-CB 3.26Å; F92-V95 WeakPolarHBondContact O-CB 3.37Å; F92-V95 VanDerWaalsContact O-CG2 3.26Å; F92-V95 WeakPolarHBondContact O-CG2 3.31Å; F92-V95 PolarHBondContact O-N 3.28Å; V95-L98 PolarHBondContact O-N 2.97Å; V95-R99 WeakPolarHBondContact O-CB 3.26Å; V95-R99 PolarHBondContact O-N 3.18Å; V95-L115 HydrophobicContact CG1-CD1 3.64Å; V95-L115 HydrophobicContact CG2-CD1 4.03Å; V95-L136 HydrophobicContact CB-CD2 3.92Å; V95-L136 HydrophobicContact CG1-CD2 3.67Å; V95-L136 HydrophobicContact CG1-CG 4.48Å; V95-M140 HydrophobicContact CG1-CE 3.79Å; V95-M140 HydrophobicContact CG1-SD 4Å
96A96.5Very high96.3Very high53 Ų5340.9 Ų40.944%0.43822%0.223SC..Hα-helixtrans-64.9-45.9-178.500000112.9L98 R99 G100A96-L98 PolarHBondContact O-N 3.44Å; A96-R99 PolarHBondContact O-N 3.18Å; A96-G100 PolarHBondContact O-N 2.95Å
97P96.4Very high95.4Very high86 Ų8649.8 Ų49.856%0.55826%0.262SS*.Hα-helixtrans-55.5-44.6169.9-28.634.6000114.1D93 E94 R99 G100 L101D93-P97 WeakPolarHBondContact O-CD 3.45Å; E94-P97 WeakPolarHBondContact O-CD 3.38Å; P97-R99 VanDerWaalsContact C-N 3.32Å; P97-R99 PolarHBondContact O-N 3.13Å; P97-G100 PolarHBondContact O-N 3.36Å; P97-L101 PolarHBondContact O-N 3.04Å
98L96.3Very high93.9Very high17 Ų1753.6 Ų53.69%0.08929%0.287CS..Hα-helixtrans-61.5-41.7176.8-77.3170.9000111.7F12 K70 M74 I82 E94 V95 A96 L101 L102F12-L98 HydrophobicContact CB-CD1 4.45Å; K70-L98 HydrophobicContact CD-CD2 4.43Å; M74-L98 HydrophobicContact CE-CD2 4.39Å; I82-L98 HydrophobicContact CD1-CB 4.07Å; I82-L98 HydrophobicContact CG2-CD1 4.31Å; E94-L98 WeakPolarHBondContact O-CG 3.35Å; E94-L98 PolarHBondContact O-N 3.16Å; E94-L98 VanDerWaalsContact O-N 3.13Å; V95-L98 PolarHBondContact O-N 2.97Å; A96-L98 PolarHBondContact O-N 3.44Å; L98-L101 PolarHBondContact O-N 2.84Å; L98-L102 WeakPolarHBondContact O-CB 3.47Å; L98-L102 PolarHBondContact O-N 3.28Å
99R95.1Very high92.4Very high27 Ų2758.3 Ų58.310%0.10231%0.306CS..Hα-helixtrans-62.4-43.3174.7173.658.3-176.3-108.6-8.9112V95 A96 P97 L102 E103 M140V95-R99 WeakPolarHBondContact O-CB 3.26Å; V95-R99 PolarHBondContact O-N 3.18Å; A96-R99 PolarHBondContact O-N 3.18Å; P97-R99 VanDerWaalsContact C-N 3.32Å; P97-R99 PolarHBondContact O-N 3.13Å; R99-L102 WeakPolarHBondContact O-CB 3.4Å; R99-L102 PolarHBondContact O-N 2.88Å; R99-E103 IonicContact CZ-OE1 3.79Å; R99-E103 VanDerWaalsContact CZ-OE1 3.23Å; R99-E103 IonicContact NE-OE1 3.95Å; R99-E103 PolarHBondContact NE-OE1 2.92Å; R99-E103 IonicContact NH2-OE1 2.73Å; R99-E103 PolarHBondContact NH2-OE1 2.73Å; R99-E103 PolarHBondContact O-N 3.42Å; R99-M140 HydrophobicContact CB-SD 3.78Å; R99-M140 HydrophobicContact CG-CG 4.1Å; R99-M140 HydrophobicContact CG-SD 3.76Å; R99-M140 PolarHBondContact NH1-O 3.36Å; R99-M140 PolarHBondContact NH2-O 2.86Å; R99-M140 VanDerWaalsContact NH2-O 3.17Å
100G94.4Very high91.1Very high31 Ų3158.6 Ų58.632%0.3231%0.314SS..Hα-helixtrans-57.5-51176.600000112A96 P97 L102 E103 E104A96-G100 PolarHBondContact O-N 2.95Å; P97-G100 PolarHBondContact O-N 3.36Å; G100-L102 VanDerWaalsContact C-N 3.29Å; G100-L102 PolarHBondContact O-N 2.84Å; G100-E103 PolarHBondContact O-N 3.26Å; G100-E104 PolarHBondContact O-N 2.93Å; G100-E104 VanDerWaalsContact O-N 3.14Å
101L94.8Very high90.4Very high29 Ų2958 Ų5815%0.15231%0.307CS..Hα-helixtrans-59.2-41.2176.8-17762.4000111.8T67 K70 E71 M74 P97 L98 E103 E104 V105T67-L101 HydrophobicContact CG2-CD2 4.46Å; K70-L101 HydrophobicContact CB-CD2 4.03Å; K70-L101 HydrophobicContact CD-CD2 4.46Å; E71-L101 HydrophobicContact CG-CD1 4.08Å; M74-L101 HydrophobicContact CE-CB 4.19Å; M74-L101 HydrophobicContact CE-CD2 3.91Å; M74-L101 HydrophobicContact CE-CG 4.05Å; M74-L101 HydrophobicContact SD-CB 4.34Å; M74-L101 HydrophobicContact SD-CD2 4.06Å; M74-L101 HydrophobicContact SD-CG 3.79Å; P97-L101 PolarHBondContact O-N 3.04Å; L98-L101 PolarHBondContact O-N 2.84Å; L101-E103 VanDerWaalsContact C-N 3.34Å; L101-E103 PolarHBondContact O-N 2.62Å; L101-E104 PolarHBondContact O-N 3.01Å; L101-V105 HydrophobicContact CD1-CG2 4.29Å; L101-V105 HydrophobicContact CG-CG2 4.43Å; L101-V105 WeakPolarHBondContact O-CB 3.48Å; L101-V105 VanDerWaalsContact O-CG2 3.27Å; L101-V105 WeakPolarHBondContact O-CG2 3.4Å; L101-V105 PolarHBondContact O-N 2.86Å
102L94.8Very high90.1Very high2 Ų258.5 Ų58.51%0.0131%0.31CS..Hα-helixtrans-59.9-42.7177.7-176.566.1000112.3M74 F80 L98 R99 G100 E104 V105 K106 V111 L113M74-L102 HydrophobicContact CB-CD1 4.04Å; M74-L102 HydrophobicContact CE-CB 4.2Å; M74-L102 HydrophobicContact CG-CD1 3.72Å; M74-L102 HydrophobicContact SD-CB 4.12Å; M74-L102 HydrophobicContact SD-CD1 4.04Å; F80-L102 HydrophobicContact CB-CD2 4.12Å; F80-L102 HydrophobicContact CD1-CD1 3.87Å; F80-L102 HydrophobicContact CD2-CD1 3.75Å; F80-L102 HydrophobicContact CD2-CD2 3.8Å; F80-L102 HydrophobicContact CD2-CG 4.36Å; F80-L102 HydrophobicContact CE1-CD1 3.75Å; F80-L102 HydrophobicContact CE2-CD1 3.63Å; F80-L102 HydrophobicContact CE2-CD2 4.46Å; F80-L102 HydrophobicContact CG-CD1 3.88Å; F80-L102 HydrophobicContact CG-CD2 3.84Å; F80-L102 HydrophobicContact CZ-CD1 3.62Å; L98-L102 WeakPolarHBondContact O-CB 3.47Å; L98-L102 PolarHBondContact O-N 3.28Å; R99-L102 WeakPolarHBondContact O-CB 3.4Å; R99-L102 PolarHBondContact O-N 2.88Å; G100-L102 VanDerWaalsContact C-N 3.29Å; G100-L102 PolarHBondContact O-N 2.84Å; L102-E104 VanDerWaalsContact C-N 3.34Å; L102-V105 PolarHBondContact O-N 2.87Å; L102-K106 HydrophobicContact CD1-CG 4.02Å; L102-K106 VanDerWaalsContact O-CB 3.32Å; L102-K106 WeakPolarHBondContact O-CB 3.38Å; L102-K106 PolarHBondContact O-N 2.78Å; L102-V111 HydrophobicContact CD1-CG1 4.23Å; L102-V111 HydrophobicContact CD2-CB 4.14Å; L102-V111 HydrophobicContact CD2-CG1 3.94Å; L102-V111 HydrophobicContact CG-CB 4.32Å; L102-V111 HydrophobicContact CG-CG1 4.1Å; L102-V111 HydrophobicContact CG-CG2 4.26Å; L102-L113 HydrophobicContact CD2-CD1 4.2Å
103E92.4Very high90Very high53 Ų5358.1 Ų58.125%0.24831%0.308CS..Hα-helixtrans-68.5-30.7177.4-71.3-173.6-17800113.5R99 G100 L101R99-E103 IonicContact CZ-OE1 3.79Å; R99-E103 VanDerWaalsContact CZ-OE1 3.23Å; R99-E103 IonicContact NE-OE1 3.95Å; R99-E103 PolarHBondContact NE-OE1 2.92Å; R99-E103 IonicContact NH2-OE1 2.73Å; R99-E103 PolarHBondContact NH2-OE1 2.73Å; R99-E103 PolarHBondContact O-N 3.42Å; G100-E103 PolarHBondContact O-N 3.26Å; L101-E103 VanDerWaalsContact C-N 3.34Å; L101-E103 PolarHBondContact O-N 2.62Å
104E92.5Very high90Very high144 Ų14454.1 Ų54.167%0.67329%0.287SS*.Hα-helixtrans-69.2-43.2174-69.7-177.4168.100111.2G100 L101 L102G100-E104 PolarHBondContact O-N 2.93Å; G100-E104 VanDerWaalsContact O-N 3.14Å; L101-E104 PolarHBondContact O-N 3.01Å; L102-E104 VanDerWaalsContact C-N 3.34Å
105V93.9Very high90Very high13 Ų1350.9 Ų50.98%0.07927%0.272CS..Hα-helixtrans-71.9-42.4-178.6171.40000111.9E71 M74 R75 L101 L102E71-V105 HydrophobicContact CB-CG2 4.12Å; E71-V105 HydrophobicContact CG-CG2 3.66Å; M74-V105 HydrophobicContact CB-CB 4.18Å; M74-V105 HydrophobicContact CB-CG1 3.63Å; M74-V105 HydrophobicContact CB-CG2 4.46Å; M74-V105 HydrophobicContact SD-CB 4.44Å; M74-V105 HydrophobicContact SD-CG2 4.18Å; R75-V105 HydrophobicContact CG-CG1 3.58Å; R75-V105 PolarHBondContact NH1-O 3.19Å; L101-V105 HydrophobicContact CD1-CG2 4.29Å; L101-V105 HydrophobicContact CG-CG2 4.43Å; L101-V105 WeakPolarHBondContact O-CB 3.48Å; L101-V105 VanDerWaalsContact O-CG2 3.27Å; L101-V105 WeakPolarHBondContact O-CG2 3.4Å; L101-V105 PolarHBondContact O-N 2.86Å; L102-V105 PolarHBondContact O-N 2.87Å
106K89.1Confident90Very high42 Ų4251 Ų5118%0.18327%0.273CS..SBendtrans-100.2110.6-176.9-69.3-63.4-152.6-160.10111.5M74 R75 G77 F80 L102 P108 V111M74-K106 WeakPolarHBondContact O-CE 3.4Å; M74-K106 PolarHBondContact O-NZ 2.87Å; R75-K106 PolarHBondContact O-NZ 2.96Å; G77-K106 WeakPolarHBondContact O-CE 3.39Å; G77-K106 PolarHBondContact O-NZ 2.69Å; F80-K106 HydrophobicContact CE2-CG 4.47Å; L102-K106 HydrophobicContact CD1-CG 4.02Å; L102-K106 VanDerWaalsContact O-CB 3.32Å; L102-K106 WeakPolarHBondContact O-CB 3.38Å; L102-K106 PolarHBondContact O-N 2.78Å; K106-P108 CarbonylContact O-C 3.58Å; K106-V111 HydrophobicContact CB-CG1 4.37Å; K106-V111 HydrophobicContact CB-CG2 3.33Å; K106-V111 HydrophobicContact CG-CG1 4.01Å; K106-V111 HydrophobicContact CG-CG2 3.88Å
107K79.7Confident90.1Very high186 Ų18648.4 Ų48.481%0.80925%0.252SS*.SBendtrans-109.5127.6168.6-65.9-177.9-177.7176.40109.7
108P67.6Low90.3Very high106 Ų10644.5 Ų44.569%0.68823%0.226SC*.SBendcis-78.3157.65.732.4-35.3000114.4K106 N110K106-P108 CarbonylContact O-C 3.58Å; P108-N110 PolarHBondContact O-N 3.43Å
109K66.9Low90.3Very high148 Ų14846.1 Ų46.164%0.64323%0.232SC*.SBendtrans-58.2-3-173-65-168.7173.1-160.80117.1V111K109-V111 PolarHBondContact O-N 3.32Å
110N71.8Confident90.4Very high102 Ų10246.3 Ų46.355%0.54524%0.24SC..  trans-96.983.8179.2-161.36.7000108.8P108 R171P108-N110 PolarHBondContact O-N 3.43Å; N110-R171 VanDerWaalsContact CG-NH1 3.32Å; N110-R171 PolarHBondContact O-NH1 2.95Å; N110-R171 PolarHBondContact OD1-NH1 3.27Å; N110-R171 PolarHBondContact OD1-NH2 3.32Å
111V83.8Confident90.6Very high7 Ų748 Ų484%0.04224%0.241CC..  trans-95130.8-179.8-164.90000110.2F80 L102 K106 K109 L113 R171F80-V111 HydrophobicContact CD2-CG1 3.35Å; F80-V111 HydrophobicContact CE2-CG1 3.32Å; L102-V111 HydrophobicContact CD1-CG1 4.23Å; L102-V111 HydrophobicContact CD2-CB 4.14Å; L102-V111 HydrophobicContact CD2-CG1 3.94Å; L102-V111 HydrophobicContact CG-CB 4.32Å; L102-V111 HydrophobicContact CG-CG1 4.1Å; L102-V111 HydrophobicContact CG-CG2 4.26Å; K106-V111 HydrophobicContact CB-CG1 4.37Å; K106-V111 HydrophobicContact CB-CG2 3.33Å; K106-V111 HydrophobicContact CG-CG1 4.01Å; K106-V111 HydrophobicContact CG-CG2 3.88Å; K109-V111 PolarHBondContact O-N 3.32Å; V111-L113 PolarHBondContact O-N 2.92Å; V111-R171 PolarHBondContact O-NH1 3.49Å
112P93.3Very high90.7Very high11 Ų1149.3 Ų49.37%0.07125%0.248CC..  trans-63.6123.8176.6-2738.3000110.8G79 F80 L164 E167 L168G79-P112 WeakPolarHBondContact CA-O 3.29Å; F80-P112 PolarHBondContact N-O 3.26Å; P112-L164 HydrophobicContact CB-CD1 3.76Å; P112-E167 HydrophobicContact CB-CG 4.2Å; P112-L168 HydrophobicContact CB-CD2 3.97Å; P112-L168 HydrophobicContact CB-CG 4Å; P112-L168 HydrophobicContact CG-CD2 3.64Å; P112-L168 HydrophobicContact CG-CG 4.14Å
113L95.6Very high90.8Very high8 Ų853.9 Ų53.94%0.04227%0.273CS..EExtended strand (participates in β ladder)trans-138.4144.4-174.6-176.785.5000109.1F80 I82 L102 V111 M140 C142F80-L113 HydrophobicContact CB-CD1 3.85Å; F80-L113 CarbonylContact O-C 3.35Å; F80-L113 VanDerWaalsContact O-CA 3.26Å; F80-L113 WeakPolarHBondContact O-CA 3.32Å; I82-L113 HydrophobicContact CB-CD1 4.33Å; I82-L113 HydrophobicContact CD1-CD1 3.53Å; I82-L113 HydrophobicContact CG1-CD1 3.62Å; L102-L113 HydrophobicContact CD2-CD1 4.2Å; V111-L113 PolarHBondContact O-N 2.92Å; L113-M140 HydrophobicContact CD2-CB 4.4Å; L113-M140 HydrophobicContact CD2-CE 3.96Å; L113-M140 HydrophobicContact CD2-SD 4.05Å; L113-C142 HydrophobicContact CB-CB 3.96Å; L113-C142 HydrophobicContact CD2-CB 3.8Å; L113-C142 HydrophobicContact CG-CB 4.16Å; L113-C142 WeakPolarHBondContact O-CB 3.45Å
114V98.4Very high91.1Very high2 Ų259.1 Ų59.11%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-125.1133.2158.9175.90000108.6F80 V81 I82 V116 A143 Y145 A160 L164F80-V114 PolarHBondContact O-N 3.31Å; V81-V114 WeakPolarHBondContact CA-O 2.99Å; I82-V114 PolarHBondContact N-O 2.96Å; V114-V116 HydrophobicContact CG1-CG2 4.1Å; V114-A143 HydrophobicContact CG2-CB 4.29Å; V114-Y145 HydrophobicContact CG1-CD2 3.62Å; V114-Y145 HydrophobicContact CG1-CE2 3.96Å; V114-A160 HydrophobicContact CG1-CB 4.2Å; V114-L164 HydrophobicContact CG2-CB 3.78Å; V114-L164 HydrophobicContact CG2-CD1 4.31Å
115L98.8Very high91.3Very high0 Ų054.3 Ų54.30%028%0.281CS..EExtended strand (participates in β ladder)trans-91.7132.3171.8-179.163.3000109.4I82 Y84 V95 L136 A137 M140 A143 F144 Y145I82-L115 HydrophobicContact CB-CD1 4.45Å; I82-L115 HydrophobicContact CG2-CD1 4.31Å; Y84-L115 HydrophobicContact CD1-CD1 3.86Å; Y84-L115 HydrophobicContact CD1-CG 4.35Å; Y84-L115 HydrophobicContact CE1-CD1 4.07Å; Y84-L115 HydrophobicContact CE1-CD2 4.22Å; Y84-L115 HydrophobicContact CE1-CG 4.06Å; V95-L115 HydrophobicContact CG1-CD1 3.64Å; V95-L115 HydrophobicContact CG2-CD1 4.03Å; L115-L136 HydrophobicContact CD2-CB 4.42Å; L115-L136 HydrophobicContact CD2-CD2 4.29Å; L115-L136 HydrophobicContact CD2-CG 4.38Å; L115-A137 HydrophobicContact CB-CB 4.44Å; L115-A137 HydrophobicContact CD2-CB 4.11Å; L115-M140 HydrophobicContact CB-CE 4.23Å; L115-M140 HydrophobicContact CD1-CE 4.31Å; L115-M140 HydrophobicContact CD2-CE 3.89Å; L115-M140 HydrophobicContact CG-CE 4.37Å; L115-A143 PolarHBondContact N-O 2.95Å; L115-F144 HydrophobicContact CB-CD2 4.14Å; L115-F144 HydrophobicContact CD2-CD2 3.92Å; L115-F144 HydrophobicContact CD2-CE2 4.32Å; L115-F144 HydrophobicContact CG-CD2 3.89Å; L115-F144 HydrophobicContact CG-CE2 4.33Å; L115-F144 WeakPolarHBondContact O-CA 3.49Å; L115-Y145 PolarHBondContact O-N 3.12Å
116V98.9Very high91.5Very high3 Ų356.7 Ų56.72%0.01829%0.289CS..EExtended strand (participates in β ladder)trans-125.7118.5179.4179.30000110.4L22 V81 I82 V83 Y84 V114 Y145 C147 A160L22-V116 HydrophobicContact CD1-CG1 3.94Å; V81-V116 HydrophobicContact CG1-CB 4.42Å; V81-V116 HydrophobicContact CG1-CG2 3.71Å; I82-V116 PolarHBondContact O-N 2.68Å; V83-V116 WeakPolarHBondContact CA-O 3.43Å; V83-V116 HydrophobicContact CG2-CB 4.39Å; Y84-V116 WeakPolarHBondContact CD1-O 3.07Å; Y84-V116 PolarHBondContact N-O 3.19Å; V114-V116 HydrophobicContact CG1-CG2 4.1Å; V116-Y145 CarbonylContact C-O 3.52Å; V116-Y145 VanDerWaalsContact CA-O 3.31Å; V116-Y145 WeakPolarHBondContact CA-O 3.3Å; V116-C147 HydrophobicContact CG1-CB 4.02Å; V116-A160 HydrophobicContact CG2-CB 4.13Å
117G98.8Very high92Very high0 Ų060 Ų600%031%0.305CS..EExtended strand (participates in β ladder)trans-88.2104.2165.300000109.5Y84 Y145 E146 C147Y84-G117 VanDerWaalsContact CE1-CA 3.44Å; Y84-G117 VanDerWaalsContact CZ-CA 3.44Å; G117-Y145 PolarHBondContact N-O 3.31Å; G117-E146 CarbonylContact O-C 3.48Å; G117-E146 VanDerWaalsContact O-CA 3.27Å; G117-E146 WeakPolarHBondContact O-CA 3.47Å; G117-C147 PolarHBondContact O-N 2.66Å
118N98.6Very high92.9Very high3 Ų351.1 Ų51.12%0.01627%0.267CS..EExtended strand (participates in β ladder)trans-90.1165.9-177.4-167.330000112.1V17 L22 V83 Y84 I86 C147 A149V17-N118 PolarHBondContact O-ND2 2.77Å; L22-N118 HydrophobicContact CD1-CB 4.12Å; V83-N118 HydrophobicContact CG1-CB 3.83Å; Y84-N118 PolarHBondContact O-N 2.92Å; I86-N118 WeakPolarHBondContact CG1-O 3.27Å; I86-N118 PolarHBondContact N-O 2.82Å; N118-C147 CarbonylContact C-O 3.53Å; N118-C147 VanDerWaalsContact CA-O 3.31Å; N118-C147 WeakPolarHBondContact CA-O 3.5Å; N118-C147 PolarHBondContact OD1-O 3.32Å; N118-A149 PolarHBondContact OD1-N 2.88Å
119K97.7Very high94.4Very high52 Ų5247.4 Ų47.423%0.22625%0.247CC..  trans68.635.1-179.7-44.8-168.5-166.4167.20113.6G16 D85 I86 D121 L122 C147G16-K119 WeakPolarHBondContact O-CE 3.28Å; G16-K119 PolarHBondContact O-NZ 3.49Å; D85-K119 WeakPolarHBondContact OD1-CD 3.19Å; D85-K119 VanDerWaalsContact OD2-CD 3.3Å; D85-K119 WeakPolarHBondContact OD2-CD 3.48Å; D85-K119 WeakPolarHBondContact OD2-CE 3.41Å; D85-K119 IonicContact OD2-NZ 3.9Å; D85-K119 PolarHBondContact OD2-NZ 3.36Å; I86-K119 WeakPolarHBondContact CD1-O 3.39Å; I86-K119 WeakPolarHBondContact CG1-O 3.31Å; K119-D121 WeakPolarHBondContact CA-OD1 2.87Å; K119-D121 PolarHBondContact O-N 3.42Å; K119-L122 HydrophobicContact CB-CD1 4.1Å; K119-L122 HydrophobicContact CB-CG 4.36Å; K119-L122 HydrophobicContact CD-CD1 4.13Å; K119-L122 WeakPolarHBondContact O-CB 3.43Å; K119-L122 PolarHBondContact O-N 3.25Å; K119-C147 PolarHBondContact N-O 3.36Å
120A97.7Very high95.9Very high31 Ų3142.7 Ų42.726%0.25623%0.231SC..G310 helixtrans-58-18.5176.400000114.1L122 E146 C147A120-L122 PolarHBondContact O-N 3.09Å; A120-E146 HydrophobicContact CB-CB 4.32Å; A120-C147 WeakPolarHBondContact CB-O 3.5Å; A120-C147 PolarHBondContact N-O 3.01Å
121D97.1Very high97.2Very high65 Ų6545.1 Ų45.135%0.34824%0.239SC..G310 helixtrans-65.9-20.717157.1-71.6000113.5K119 D123 S148 C150 A151K119-D121 WeakPolarHBondContact CA-OD1 2.87Å; K119-D121 PolarHBondContact O-N 3.42Å; D121-D123 VanDerWaalsContact C-N 3.32Å; D121-D123 PolarHBondContact O-N 3.35Å; D121-S148 VanDerWaalsContact CG-OG 3.23Å; D121-S148 VanDerWaalsContact OD1-CB 3.23Å; D121-S148 WeakPolarHBondContact OD1-CB 3.44Å; D121-S148 PolarHBondContact OD1-OG 2.91Å; D121-C150 PolarHBondContact OD1-SG 3.46Å; D121-C150 PolarHBondContact OD2-SG 2.97Å; D121-A151 HydrophobicContact CB-CB 4.22Å
122L97.3Very high97.9Very high57 Ų5746.7 Ų46.730%0.29825%0.246SC..G310 helixtrans-95.740.5-179.7-56.7-179000112.4T87 K119 A120 H124 A125 R126T87-L122 HydrophobicContact CG2-CB 3.62Å; T87-L122 HydrophobicContact CG2-CD1 4.15Å; K119-L122 HydrophobicContact CB-CD1 4.1Å; K119-L122 HydrophobicContact CB-CG 4.36Å; K119-L122 HydrophobicContact CD-CD1 4.13Å; K119-L122 WeakPolarHBondContact O-CB 3.43Å; K119-L122 PolarHBondContact O-N 3.25Å; A120-L122 PolarHBondContact O-N 3.09Å; L122-H124 PolarHBondContact O-N 2.81Å; L122-H124 VanDerWaalsContact O-N 3.16Å; L122-A125 PolarHBondContact O-N 2.87Å; L122-R126 PolarHBondContact O-N 2.86Å
123D97.1Very high98.1Very high99 Ų9946.2 Ų46.253%0.52924%0.243SC..G310 helixtrans-57.2-33.7-176.4-167.762.8000113.3D121 A125 R126D121-D123 VanDerWaalsContact C-N 3.32Å; D121-D123 PolarHBondContact O-N 3.35Å; D123-A125 PolarHBondContact O-N 2.92Å; D123-A125 VanDerWaalsContact O-N 3.13Å; D123-R126 WeakPolarHBondContact O-CB 3.38Å; D123-R126 PolarHBondContact O-N 2.78Å; D123-R126 VanDerWaalsContact O-N 3.09Å; D123-R126 IonicContact OD1-CZ 3.97Å; D123-R126 IonicContact OD1-NE 3Å; D123-R126 PolarHBondContact OD1-NE 2.73Å; D123-R126 IonicContact OD1-NH2 3.45Å; D123-R126 PolarHBondContact OD1-NH2 2.82Å
124H97.8Very high98.3Very high163 Ų16350.9 Ų50.976%0.75526%0.264SS*.G310 helixtrans-61.7-19.5174.766.5-83.7000114.4L122L122-H124 PolarHBondContact O-N 2.81Å; L122-H124 VanDerWaalsContact O-N 3.16Å
125A98.1Very high98.3Very high42 Ų4257.2 Ų57.235%0.34729%0.288SS..G310 helixtrans-112.31317900000112.4T87 L122 D123 Q127T87-A125 WeakPolarHBondContact CB-O 3.49Å; T87-A125 HydrophobicContact CG2-CB 3.94Å; L122-A125 PolarHBondContact O-N 2.87Å; D123-A125 PolarHBondContact O-N 2.92Å; D123-A125 VanDerWaalsContact O-N 3.13Å; A125-Q127 PolarHBondContact O-N 3.46Å
126R98.6Very high98.2Very high63 Ų6358.2 Ų58.224%0.23829%0.293CS..  trans-60.2130.5-177.7-179.1-179.2-72.6-88.210.9111.7I86 L122 D123 V128 E146I86-R126 HydrophobicContact CD1-CB 4.34Å; I86-R126 HydrophobicContact CD1-CG 4.34Å; L122-R126 PolarHBondContact O-N 2.86Å; D123-R126 WeakPolarHBondContact O-CB 3.38Å; D123-R126 PolarHBondContact O-N 2.78Å; D123-R126 VanDerWaalsContact O-N 3.09Å; D123-R126 IonicContact OD1-CZ 3.97Å; D123-R126 IonicContact OD1-NE 3Å; D123-R126 PolarHBondContact OD1-NE 2.73Å; D123-R126 IonicContact OD1-NH2 3.45Å; D123-R126 PolarHBondContact OD1-NH2 2.82Å; R126-V128 WeakPolarHBondContact CD-O 3.48Å; R126-V128 WeakPolarHBondContact CG-O 3.49Å; R126-V128 PolarHBondContact NH1-O 2.94Å; R126-E146 IonicContact CZ-OE1 3.35Å; R126-E146 IonicContact CZ-OE2 3.05Å; R126-E146 IonicContact NH1-OE1 3.94Å; R126-E146 PolarHBondContact NH1-OE1 2.65Å; R126-E146 IonicContact NH1-OE2 2.84Å; R126-E146 PolarHBondContact NH1-OE2 2.83Å; R126-E146 IonicContact NH2-OE1 2.69Å; R126-E146 IonicContact NH2-OE2 3.1Å; R126-E146 PolarHBondContact NH2-OE2 2.96Å
127Q98.8Very high98.2Very high112 Ų11258.2 Ų58.252%0.52329%0.293SS..  trans-113.2-19.8172.6-61.5-174.213.200112.9I86 T87 R89 A125I86-Q127 PolarHBondContact O-N 2.88Å; T87-Q127 WeakPolarHBondContact O-CG 3.27Å; T87-Q127 PolarHBondContact O-NE2 2.84Å; T87-Q127 PolarHBondContact O-OE1 3.38Å; R89-Q127 HydrophobicContact CB-CB 4.3Å; R89-Q127 VanDerWaalsContact N-OE1 3.13Å; A125-Q127 PolarHBondContact O-N 3.46Å
128V98.8Very high98.1Very high0 Ų061.9 Ų61.90%032%0.324CS..SBendtrans-117.5119179.6-175.50000108.8Y84 I86 F92 R126 E132Y84-V128 HydrophobicContact CE2-CB 4.04Å; Y84-V128 HydrophobicContact CE2-CG1 3.82Å; Y84-V128 HydrophobicContact CE2-CG2 4.38Å; I86-V128 PolarHBondContact O-N 3.33Å; I86-V128 VanDerWaalsContact O-N 3.08Å; F92-V128 HydrophobicContact CB-CG1 4.41Å; F92-V128 HydrophobicContact CB-CG2 3.76Å; F92-V128 HydrophobicContact CD1-CG1 4.18Å; F92-V128 HydrophobicContact CD1-CG2 4.47Å; F92-V128 HydrophobicContact CD2-CG1 3.76Å; F92-V128 HydrophobicContact CE1-CG1 4.36Å; F92-V128 HydrophobicContact CE2-CG1 3.96Å; F92-V128 HydrophobicContact CG-CG1 3.86Å; F92-V128 HydrophobicContact CG-CG2 4.06Å; F92-V128 HydrophobicContact CZ-CG1 4.25Å; R126-V128 WeakPolarHBondContact CD-O 3.48Å; R126-V128 WeakPolarHBondContact CG-O 3.49Å; R126-V128 PolarHBondContact NH1-O 2.94Å; V128-E132 HydrophobicContact CG1-CB 4.07Å
129G98.6Very high98Very high27 Ų2768.4 Ų68.428%0.27835%0.354SS..  trans-69.6147.4177.200000111.7E131 E132 G133G129-E131 PolarHBondContact O-N 3.25Å; G129-E132 PolarHBondContact N-OE2 3.38Å; G129-E132 WeakPolarHBondContact O-CB 3.16Å; G129-E132 PolarHBondContact O-N 3.49Å; G129-G133 PolarHBondContact O-N 3.07Å
130T98.3Very high97.8Very high50 Ų5066.6 Ų66.631%0.30735%0.347SS..Hα-helixtrans-54.4-40.9175.7-49.60000111.4E132 G133 E134 F144 E146T130-E132 VanDerWaalsContact C-N 3.26Å; T130-E132 PolarHBondContact O-N 2.96Å; T130-G133 PolarHBondContact O-N 3.37Å; T130-G133 VanDerWaalsContact O-N 3.12Å; T130-E134 WeakPolarHBondContact O-CG 3.42Å; T130-E134 PolarHBondContact O-N 2.84Å; T130-F144 HydrophobicContact CG2-CE1 4.04Å; T130-E146 HydrophobicContact CG2-CG 4.26Å; T130-E146 PolarHBondContact OG1-OE1 3.07Å; T130-E146 PolarHBondContact OG1-OE2 3.32Å
131E98.5Very high97.6Very high152 Ų15268.8 Ų68.871%0.7137%0.365SS*.Hα-helixtrans-60.1-31.4176.3-63-177.617900113.4G129 R135G129-E131 PolarHBondContact O-N 3.25Å; E131-R135 VanDerWaalsContact O-CB 3.27Å; E131-R135 WeakPolarHBondContact O-CB 3.33Å; E131-R135 PolarHBondContact O-N 3.31Å
132E98.6Very high97.5Very high41 Ų4166.9 Ų66.919%0.19236%0.356CS..Hα-helixtrans-69.5-41.6176.1-63.6-177.398.300111R89 F92 V128 G129 T130 R135 L136R89-E132 IonicContact CZ-OE1 2.81Å; R89-E132 IonicContact NH1-OE1 3.71Å; R89-E132 PolarHBondContact NH1-OE1 2.96Å; R89-E132 IonicContact NH1-OE2 3.62Å; R89-E132 IonicContact NH2-OE1 2.66Å; F92-E132 HydrophobicContact CE1-CB 4.44Å; F92-E132 HydrophobicContact CZ-CB 4.08Å; V128-E132 HydrophobicContact CG1-CB 4.07Å; G129-E132 PolarHBondContact N-OE2 3.38Å; G129-E132 WeakPolarHBondContact O-CB 3.16Å; G129-E132 PolarHBondContact O-N 3.49Å; T130-E132 VanDerWaalsContact C-N 3.26Å; T130-E132 PolarHBondContact O-N 2.96Å; E132-R135 PolarHBondContact O-N 2.89Å; E132-L136 WeakPolarHBondContact O-CB 3.35Å; E132-L136 PolarHBondContact O-N 3.17Å
133G98.5Very high97.5Very high0 Ų065.6 Ų65.60%035%0.354CS..Hα-helixtrans-63.3-45.8174.500000112.4G129 T130 R135 L136 A137G129-G133 PolarHBondContact O-N 3.07Å; T130-G133 PolarHBondContact O-N 3.37Å; T130-G133 VanDerWaalsContact O-N 3.12Å; G133-R135 PolarHBondContact O-N 3.48Å; G133-L136 PolarHBondContact O-N 2.81Å; G133-A137 WeakPolarHBondContact O-CB 3.13Å; G133-A137 PolarHBondContact O-N 3.17Å
134E98.6Very high97.6Very high106 Ų10662.6 Ų62.650%0.49534%0.337SS..Hα-helixtrans-59.6-46.8175.5-71.8177.1165.800112T130 A137 A138 F144T130-E134 WeakPolarHBondContact O-CG 3.42Å; T130-E134 PolarHBondContact O-N 2.84Å; E134-A137 PolarHBondContact O-N 2.9Å; E134-A138 WeakPolarHBondContact O-CB 3.38Å; E134-A138 PolarHBondContact O-N 3.05Å; E134-F144 HydrophobicContact CB-CD1 4.39Å; E134-F144 HydrophobicContact CG-CD1 3.58Å; E134-F144 HydrophobicContact CG-CE1 3.84Å
135R98.7Very high97.7Very high136 Ų13656.9 Ų56.951%0.51331%0.308SS..Hα-helixtrans-60.7-48.2177.9-176.6178.764.4-127.4-4.6111.2E131 E132 G133 A137 A138 E139E131-R135 VanDerWaalsContact O-CB 3.27Å; E131-R135 WeakPolarHBondContact O-CB 3.33Å; E131-R135 PolarHBondContact O-N 3.31Å; E132-R135 PolarHBondContact O-N 2.89Å; G133-R135 PolarHBondContact O-N 3.48Å; R135-A137 VanDerWaalsContact C-N 3.32Å; R135-A137 PolarHBondContact O-N 3.15Å; R135-A138 WeakPolarHBondContact O-CB 3.42Å; R135-A138 PolarHBondContact O-N 2.96Å; R135-E139 WeakPolarHBondContact O-CG 3.42Å; R135-E139 PolarHBondContact O-N 2.77Å
136L98.1Very high97.6Very high20 Ų2056.9 Ų56.911%0.10530%0.301CS..Hα-helixtrans-63-39.8179.1-177.960.2000111.6F92 V95 L115 E132 G133 E139 M140F92-L136 HydrophobicContact CD2-CD2 4.23Å; F92-L136 HydrophobicContact CE1-CD2 4.27Å; F92-L136 HydrophobicContact CE2-CB 4.27Å; F92-L136 HydrophobicContact CE2-CD2 3.51Å; F92-L136 HydrophobicContact CZ-CB 3.96Å; F92-L136 HydrophobicContact CZ-CD2 3.54Å; F92-L136 HydrophobicContact CZ-CG 4.37Å; V95-L136 HydrophobicContact CB-CD2 3.92Å; V95-L136 HydrophobicContact CG1-CD2 3.67Å; V95-L136 HydrophobicContact CG1-CG 4.48Å; L115-L136 HydrophobicContact CD2-CB 4.42Å; L115-L136 HydrophobicContact CD2-CD2 4.29Å; L115-L136 HydrophobicContact CD2-CG 4.38Å; E132-L136 WeakPolarHBondContact O-CB 3.35Å; E132-L136 PolarHBondContact O-N 3.17Å; G133-L136 PolarHBondContact O-N 2.81Å; L136-E139 PolarHBondContact O-N 2.94Å; L136-M140 HydrophobicContact CD1-CG 4.45Å; L136-M140 HydrophobicContact CD1-SD 4.49Å; L136-M140 HydrophobicContact CD2-CE 4.42Å; L136-M140 HydrophobicContact CG-CE 3.9Å; L136-M140 HydrophobicContact CG-SD 4.45Å; L136-M140 WeakPolarHBondContact O-CB 3.34Å; L136-M140 WeakPolarHBondContact O-CG 3.44Å; L136-M140 PolarHBondContact O-N 2.98Å
137A97.9Very high97.6Very high3 Ų354 Ų543%0.02529%0.291CS..Hα-helixtrans-65.6-38176.700000112.9L115 G133 E134 R135 M140 A141 C142 F144L115-A137 HydrophobicContact CB-CB 4.44Å; L115-A137 HydrophobicContact CD2-CB 4.11Å; G133-A137 WeakPolarHBondContact O-CB 3.13Å; G133-A137 PolarHBondContact O-N 3.17Å; E134-A137 PolarHBondContact O-N 2.9Å; R135-A137 VanDerWaalsContact C-N 3.32Å; R135-A137 PolarHBondContact O-N 3.15Å; A137-M140 CarbonylContact O-C 3.53Å; A137-M140 PolarHBondContact O-N 3.45Å; A137-A141 PolarHBondContact O-N 2.56Å; A137-C142 PolarHBondContact O-N 3.31Å; A137-C142 PolarHBondContact O-SG 2.99Å; A137-F144 HydrophobicContact CB-CB 3.58Å; A137-F144 HydrophobicContact CB-CG 4.31Å
138A97.2Very high97.5Very high77 Ų7749 Ų4964%0.63627%0.269SS*.Hα-helixtrans-63.4-44.7173.600000111.6E134 R135 M140 A141E134-A138 WeakPolarHBondContact O-CB 3.38Å; E134-A138 PolarHBondContact O-N 3.05Å; R135-A138 WeakPolarHBondContact O-CB 3.42Å; R135-A138 PolarHBondContact O-N 2.96Å; A138-M140 VanDerWaalsContact C-N 3.27Å; A138-M140 PolarHBondContact O-N 3.36Å; A138-A141 PolarHBondContact O-N 3.29Å
139E95.2Very high97.4Very high141 Ų14149.2 Ų49.266%0.65927%0.27SS*.Hα-helixtrans-59.1-39.1174.2-71.8172.6-167.600111.9R135 L136 A141R135-E139 WeakPolarHBondContact O-CG 3.42Å; R135-E139 PolarHBondContact O-N 2.77Å; L136-E139 PolarHBondContact O-N 2.94Å; E139-A141 VanDerWaalsContact C-N 3.3Å; E139-A141 PolarHBondContact O-N 2.85Å
140M93.8Very high97.2Very high13 Ų1350 Ų506%0.06427%0.271CS..THydrogen-bonded Turntrans-81.5-4.6177.2-69.5-168.3-56.200114.2V95 R99 L113 L115 L136 A137 A138 C142V95-M140 HydrophobicContact CG1-CE 3.79Å; V95-M140 HydrophobicContact CG1-SD 4Å; R99-M140 HydrophobicContact CB-SD 3.78Å; R99-M140 HydrophobicContact CG-CG 4.1Å; R99-M140 HydrophobicContact CG-SD 3.76Å; R99-M140 PolarHBondContact NH1-O 3.36Å; R99-M140 PolarHBondContact NH2-O 2.86Å; R99-M140 VanDerWaalsContact NH2-O 3.17Å; L113-M140 HydrophobicContact CD2-CB 4.4Å; L113-M140 HydrophobicContact CD2-CE 3.96Å; L113-M140 HydrophobicContact CD2-SD 4.05Å; L115-M140 HydrophobicContact CB-CE 4.23Å; L115-M140 HydrophobicContact CD1-CE 4.31Å; L115-M140 HydrophobicContact CD2-CE 3.89Å; L115-M140 HydrophobicContact CG-CE 4.37Å; L136-M140 HydrophobicContact CD1-CG 4.45Å; L136-M140 HydrophobicContact CD1-SD 4.49Å; L136-M140 HydrophobicContact CD2-CE 4.42Å; L136-M140 HydrophobicContact CG-CE 3.9Å; L136-M140 HydrophobicContact CG-SD 4.45Å; L136-M140 WeakPolarHBondContact O-CB 3.34Å; L136-M140 WeakPolarHBondContact O-CG 3.44Å; L136-M140 PolarHBondContact O-N 2.98Å; A137-M140 CarbonylContact O-C 3.53Å; A137-M140 PolarHBondContact O-N 3.45Å; A138-M140 VanDerWaalsContact C-N 3.27Å; A138-M140 PolarHBondContact O-N 3.36Å; M140-C142 PolarHBondContact O-N 2.82Å
141A93.7Very high96.9Very high78 Ų7850.4 Ų50.465%0.64528%0.279SS*.THydrogen-bonded Turntrans50.850.7-173.400000113.1A137 A138 E139A137-A141 PolarHBondContact O-N 2.56Å; A138-A141 PolarHBondContact O-N 3.29Å; E139-A141 VanDerWaalsContact C-N 3.3Å; E139-A141 PolarHBondContact O-N 2.85Å
142C96.1Very high96.6Very high24 Ų2444.5 Ų44.516%0.16225%0.253CS..  trans-132.1164.4-179.670.30000112.1L113 A137 M140L113-C142 HydrophobicContact CB-CB 3.96Å; L113-C142 HydrophobicContact CD2-CB 3.8Å; L113-C142 HydrophobicContact CG-CB 4.16Å; L113-C142 WeakPolarHBondContact O-CB 3.45Å; A137-C142 PolarHBondContact O-N 3.31Å; A137-C142 PolarHBondContact O-SG 2.99Å; M140-C142 PolarHBondContact O-N 2.82Å
143A97.8Very high95.7Very high31 Ų3152 Ų5226%0.25629%0.288SS..EExtended strand (participates in β ladder)trans-75.3151.9171.800000110.7V114 L115 Y145 E163V114-A143 HydrophobicContact CG2-CB 4.29Å; L115-A143 PolarHBondContact N-O 2.95Å; A143-Y145 HydrophobicContact CB-CE2 3.88Å; A143-E163 HydrophobicContact CB-CG 4.04Å
144F98.6Very high95Very high36 Ų3655 Ų5516%0.15832%0.318CS..EExtended strand (participates in β ladder)trans-126.3139.3178.6176-121000110.8Y84 L115 T130 E134 A137 E146Y84-F144 AromaticContact CE1-CE2 3.96Å; Y84-F144 HydrophobicContact CE1-CE2 3.96Å; Y84-F144 WeakPolarHBondContact OH-CE2 3.49Å; Y84-F144 WeakPolarHBondContact OH-CZ 3.46Å; L115-F144 HydrophobicContact CB-CD2 4.14Å; L115-F144 HydrophobicContact CD2-CD2 3.92Å; L115-F144 HydrophobicContact CD2-CE2 4.32Å; L115-F144 HydrophobicContact CG-CD2 3.89Å; L115-F144 HydrophobicContact CG-CE2 4.33Å; L115-F144 WeakPolarHBondContact O-CA 3.49Å; T130-F144 HydrophobicContact CG2-CE1 4.04Å; E134-F144 HydrophobicContact CB-CD1 4.39Å; E134-F144 HydrophobicContact CG-CD1 3.58Å; E134-F144 HydrophobicContact CG-CE1 3.84Å; A137-F144 HydrophobicContact CB-CB 3.58Å; A137-F144 HydrophobicContact CB-CG 4.31Å; F144-E146 HydrophobicContact CE1-CG 3.84Å; F144-E146 HydrophobicContact CE2-CG 4.32Å; F144-E146 HydrophobicContact CZ-CG 3.43Å; F144-E146 VanDerWaalsContact CZ-CG 3.43Å
145Y98.6Very high94.7Very high42 Ų4251.2 Ų51.217%0.16531%0.308CS..EExtended strand (participates in β ladder)trans-138.5134173.4-64.3-94.6000110V114 L115 V116 G117 A143 E159 A160 E163V114-Y145 HydrophobicContact CG1-CD2 3.62Å; V114-Y145 HydrophobicContact CG1-CE2 3.96Å; L115-Y145 PolarHBondContact O-N 3.12Å; V116-Y145 CarbonylContact C-O 3.52Å; V116-Y145 VanDerWaalsContact CA-O 3.31Å; V116-Y145 WeakPolarHBondContact CA-O 3.3Å; G117-Y145 PolarHBondContact N-O 3.31Å; A143-Y145 HydrophobicContact CB-CE2 3.88Å; Y145-E159 HydrophobicContact CE1-CB 4.27Å; Y145-E159 HydrophobicContact CE1-CG 3.79Å; Y145-A160 HydrophobicContact CD2-CB 3.79Å; Y145-A160 HydrophobicContact CE2-CB 4.29Å; Y145-A160 HydrophobicContact CG-CB 3.96Å; Y145-E163 HydrophobicContact CE2-CB 4.22Å; Y145-E163 HydrophobicContact CE2-CG 4.36Å; Y145-E163 WeakPolarHBondContact OH-CB 3.5Å; Y145-E163 WeakPolarHBondContact OH-CG 3.38Å
146E97.7Very high94.5Very high42 Ų4249 Ų4920%0.19630%0.304CS..EExtended strand (participates in β ladder)trans-91.1128.8159-67.3-158.6143.800109.4G117 A120 R126 T130 F144G117-E146 CarbonylContact O-C 3.48Å; G117-E146 VanDerWaalsContact O-CA 3.27Å; G117-E146 WeakPolarHBondContact O-CA 3.47Å; A120-E146 HydrophobicContact CB-CB 4.32Å; R126-E146 IonicContact CZ-OE1 3.35Å; R126-E146 IonicContact CZ-OE2 3.05Å; R126-E146 IonicContact NH1-OE1 3.94Å; R126-E146 PolarHBondContact NH1-OE1 2.65Å; R126-E146 IonicContact NH1-OE2 2.84Å; R126-E146 PolarHBondContact NH1-OE2 2.83Å; R126-E146 IonicContact NH2-OE1 2.69Å; R126-E146 IonicContact NH2-OE2 3.1Å; R126-E146 PolarHBondContact NH2-OE2 2.96Å; T130-E146 HydrophobicContact CG2-CG 4.26Å; T130-E146 PolarHBondContact OG1-OE1 3.07Å; T130-E146 PolarHBondContact OG1-OE2 3.32Å; F144-E146 HydrophobicContact CE1-CG 3.84Å; F144-E146 HydrophobicContact CE2-CG 4.32Å; F144-E146 HydrophobicContact CZ-CG 3.43Å; F144-E146 VanDerWaalsContact CZ-CG 3.43Å
147C97.6Very high94.5Very high3 Ų348.1 Ų48.12%0.0230%0.3CS..EExtended strand (participates in β ladder)trans-130.9156.1-173.8-67.80000110.6L22 V116 G117 N118 K119 A120 V157L22-C147 HydrophobicContact CD2-CB 4.09Å; V116-C147 HydrophobicContact CG1-CB 4.02Å; G117-C147 PolarHBondContact O-N 2.66Å; N118-C147 CarbonylContact C-O 3.53Å; N118-C147 VanDerWaalsContact CA-O 3.31Å; N118-C147 WeakPolarHBondContact CA-O 3.5Å; N118-C147 PolarHBondContact OD1-O 3.32Å; K119-C147 PolarHBondContact N-O 3.36Å; A120-C147 WeakPolarHBondContact CB-O 3.5Å; A120-C147 PolarHBondContact N-O 3.01Å; C147-V157 HydrophobicContact CB-CG2 4.02Å
148S97.3Very high94.5Very high8 Ų849.3 Ų49.36%0.05631%0.31CS..  trans-124.9115.1161.4173.20000108.9D121 C150 A151 D152D121-S148 VanDerWaalsContact CG-OG 3.23Å; D121-S148 VanDerWaalsContact OD1-CB 3.23Å; D121-S148 WeakPolarHBondContact OD1-CB 3.44Å; D121-S148 PolarHBondContact OD1-OG 2.91Å; S148-C150 PolarHBondContact O-N 3.23Å; S148-C150 PolarHBondContact OG-N 3.1Å; S148-C150 PolarHBondContact OG-SG 2.81Å; S148-A151 CarbonylContact O-C 3.58Å; S148-A151 PolarHBondContact O-N 2.82Å; S148-A151 PolarHBondContact OG-N 3.14Å; S148-D152 WeakPolarHBondContact O-CB 3.33Å; S148-D152 PolarHBondContact O-N 3.02Å
149A95.5Very high94.5Very high4 Ų448.7 Ų48.73%0.03329%0.294CS..SBendtrans-61-28173.600000112.5A21 L22 R25 F31 N118A21-A149 HydrophobicContact CB-CB 3.73Å; L22-A149 HydrophobicContact CD2-CB 4.04Å; L22-A149 HydrophobicContact CG-CB 4.31Å; R25-A149 VanDerWaalsContact CZ-O 3.23Å; R25-A149 PolarHBondContact NE-O 3.18Å; R25-A149 PolarHBondContact NH2-O 3.41Å; F31-A149 HydrophobicContact CD2-CB 4.19Å; F31-A149 WeakPolarHBondContact CD2-O 3.45Å; F31-A149 HydrophobicContact CE2-CB 4.28Å; N118-A149 PolarHBondContact OD1-N 2.88Å
150C94.4Very high94.6Very high43 Ų4342 Ų4229%0.29126%0.263SS..SBendtrans-88.5-29.5-17973.70000112.9R25 F31 D121 S148R25-C150 PolarHBondContact NH2-O 2.94Å; F31-C150 HydrophobicContact CD1-CB 3.74Å; F31-C150 HydrophobicContact CD2-CB 4.2Å; F31-C150 HydrophobicContact CE1-CB 3.65Å; F31-C150 HydrophobicContact CE2-CB 4.15Å; F31-C150 HydrophobicContact CG-CB 4.01Å; F31-C150 HydrophobicContact CZ-CB 3.88Å; D121-C150 PolarHBondContact OD1-SG 3.46Å; D121-C150 PolarHBondContact OD2-SG 2.97Å; S148-C150 PolarHBondContact O-N 3.23Å; S148-C150 PolarHBondContact OG-N 3.1Å; S148-C150 PolarHBondContact OG-SG 2.81Å
151A92.7Very high94.8Very high58 Ų5841.6 Ų41.648%0.47926%0.26SS..  trans-125.859.4-177.100000112.4D121 S148 E153D121-A151 HydrophobicContact CB-CB 4.22Å; S148-A151 CarbonylContact O-C 3.58Å; S148-A151 PolarHBondContact O-N 2.82Å; S148-A151 PolarHBondContact OG-N 3.14Å; A151-E153 PolarHBondContact O-N 2.97Å
152D92.4Very high95Very high29 Ų2939.6 Ų39.616%0.15524%0.238CC..  trans-94.451.9-177.3-168.536.9000113.5R25 S148 G154 G155 M156 V157R25-D152 HydrophobicContact CG-CB 4.17Å; S148-D152 WeakPolarHBondContact O-CB 3.33Å; S148-D152 PolarHBondContact O-N 3.02Å; D152-G154 PolarHBondContact O-N 2.97Å; D152-G155 PolarHBondContact O-N 3.09Å; D152-G155 WeakPolarHBondContact OD1-CA 3.49Å; D152-G155 PolarHBondContact OD1-N 3.36Å; D152-M156 PolarHBondContact OD1-N 2.72Å; D152-V157 HydrophobicContact CB-CG2 4.12Å; D152-V157 PolarHBondContact OD1-N 2.86Å; D152-V157 VanDerWaalsContact OD2-CB 3.32Å; D152-V157 WeakPolarHBondContact OD2-CB 3.2Å; D152-V157 WeakPolarHBondContact OD2-CG2 3.26Å
153E80.3Confident95.1Very high199 Ų19940.2 Ų40.293%0.9324%0.238SC*.THydrogen-bonded Turntrans-66.2-29.3-179.2-64.6-174.9178.100112.6A151A151-E153 PolarHBondContact O-N 2.97Å
154G82.8Confident95Very high61 Ų6138.7 Ų38.763%0.62923%0.226SC*.THydrogen-bonded Turntrans-82.5-5.8178.600000115.1D152 M156D152-G154 PolarHBondContact O-N 2.97Å; G154-M156 VanDerWaalsContact C-N 3.27Å; G154-M156 PolarHBondContact O-N 3.13Å
155G92.2Very high94.9Very high28 Ų2837 Ų3729%0.28922%0.219SC..  trans66.126.1-178.700000114.3D152 V157 A158 E159D152-G155 PolarHBondContact O-N 3.09Å; D152-G155 WeakPolarHBondContact OD1-CA 3.49Å; D152-G155 PolarHBondContact OD1-N 3.36Å; G155-V157 PolarHBondContact O-N 2.81Å; G155-A158 PolarHBondContact O-N 2.96Å; G155-E159 PolarHBondContact O-N 2.9Å
156M95.7Very high94.8Very high88 Ų8837.3 Ų37.343%0.43322%0.219SC..Hα-helixtrans-65.3-32-178.4-67.1-62.415400111.4D152 G154 E159 A160D152-M156 PolarHBondContact OD1-N 2.72Å; G154-M156 VanDerWaalsContact C-N 3.27Å; G154-M156 PolarHBondContact O-N 3.13Å; M156-E159 PolarHBondContact O-N 3.12Å; M156-A160 PolarHBondContact O-N 3.43Å
157V97.6Very high94.6Very high2 Ų237 Ų371%0.01222%0.218CC..Hα-helixtrans-60.2-49.7173.8-179.40000109.9L22 R25 F26 C147 D152 G155 E159 A160 F161L22-V157 HydrophobicContact CB-CG1 4.39Å; L22-V157 HydrophobicContact CD2-CB 4.38Å; L22-V157 HydrophobicContact CD2-CG1 3.95Å; L22-V157 HydrophobicContact CD2-CG2 3.57Å; L22-V157 WeakPolarHBondContact O-CG1 3.27Å; R25-V157 HydrophobicContact CB-CG1 4.34Å; R25-V157 HydrophobicContact CG-CB 4.19Å; R25-V157 HydrophobicContact CG-CG1 4.2Å; R25-V157 HydrophobicContact CG-CG2 4.09Å; F26-V157 HydrophobicContact CB-CG1 4.12Å; C147-V157 HydrophobicContact CB-CG2 4.02Å; D152-V157 HydrophobicContact CB-CG2 4.12Å; D152-V157 PolarHBondContact OD1-N 2.86Å; D152-V157 VanDerWaalsContact OD2-CB 3.32Å; D152-V157 WeakPolarHBondContact OD2-CB 3.2Å; D152-V157 WeakPolarHBondContact OD2-CG2 3.26Å; G155-V157 PolarHBondContact O-N 2.81Å; V157-E159 VanDerWaalsContact C-N 3.32Å; V157-E159 PolarHBondContact O-N 3.37Å; V157-A160 PolarHBondContact O-N 2.9Å; V157-F161 HydrophobicContact CG1-CD2 4.41Å; V157-F161 HydrophobicContact CG1-CE2 4.25Å; V157-F161 WeakPolarHBondContact O-CD2 3.4Å; V157-F161 PolarHBondContact O-N 2.99Å
158A96.9Very high94.4Very high29 Ų2937.3 Ų37.324%0.2422%0.22CC..Hα-helixtrans-62.6-40.9178.600000112.3F26 G155 A160 F161 H162F26-A158 HydrophobicContact CD2-CB 4.09Å; F26-A158 HydrophobicContact CE2-CB 4.28Å; G155-A158 PolarHBondContact O-N 2.96Å; A158-A160 VanDerWaalsContact C-N 3.34Å; A158-A160 PolarHBondContact O-N 3.37Å; A158-F161 PolarHBondContact O-N 2.99Å; A158-H162 WeakPolarHBondContact O-CB 2.84Å; A158-H162 PolarHBondContact O-N 3.49Å
159E97.5Very high94.1Very high63 Ų6339.2 Ų39.229%0.29423%0.225SC..Hα-helixtrans-63.4-38.5179.7-171.154.6-155.900112.5Y145 G155 M156 V157 F161 H162 E163 R166Y145-E159 HydrophobicContact CE1-CB 4.27Å; Y145-E159 HydrophobicContact CE1-CG 3.79Å; G155-E159 PolarHBondContact O-N 2.9Å; M156-E159 PolarHBondContact O-N 3.12Å; V157-E159 VanDerWaalsContact C-N 3.32Å; V157-E159 PolarHBondContact O-N 3.37Å; E159-F161 PolarHBondContact O-N 3.5Å; E159-H162 PolarHBondContact O-N 2.98Å; E159-E163 VanDerWaalsContact O-CB 3.31Å; E159-E163 WeakPolarHBondContact O-CB 3.49Å; E159-E163 PolarHBondContact O-N 3.27Å; E159-R166 IonicContact OE1-CZ 2.84Å; E159-R166 IonicContact OE1-NH1 3.23Å; E159-R166 PolarHBondContact OE1-NH1 2.97Å; E159-R166 IonicContact OE1-NH2 3.58Å; E159-R166 PolarHBondContact OE1-NH2 3.25Å; E159-R166 IonicContact OE2-NH1 3.11Å; E159-R166 IonicContact OE2-NH2 3.61Å; E159-R166 PolarHBondContact OE2-NH2 3.25Å
160A98.3Very high93.8Very high1 Ų145 Ų451%0.00825%0.246CC..Hα-helixtrans-60.1-44.5175.400000112.8V114 V116 Y145 M156 V157 A158 L164V114-A160 HydrophobicContact CG1-CB 4.2Å; V116-A160 HydrophobicContact CG2-CB 4.13Å; Y145-A160 HydrophobicContact CD2-CB 3.79Å; Y145-A160 HydrophobicContact CE2-CB 4.29Å; Y145-A160 HydrophobicContact CG-CB 3.96Å; M156-A160 PolarHBondContact O-N 3.43Å; V157-A160 PolarHBondContact O-N 2.9Å; A158-A160 VanDerWaalsContact C-N 3.34Å; A158-A160 PolarHBondContact O-N 3.37Å; A160-L164 PolarHBondContact O-N 2.78Å
161F97.9Very high93.5Very high4 Ų444.6 Ų44.62%0.01824%0.239CC..Hα-helixtrans-70.1-38.6176.8-78.9-98000112L9 V11 V23 F26 I58 V81 V157 A158 E159 L164 C165L9-F161 HydrophobicContact CD1-CD1 4.01Å; V11-F161 HydrophobicContact CG2-CE1 4.17Å; V11-F161 HydrophobicContact CG2-CZ 4.17Å; V23-F161 HydrophobicContact CG2-CZ 4.18Å; F26-F161 HydrophobicContact CB-CD2 4.16Å; F26-F161 HydrophobicContact CB-CE2 4.2Å; F26-F161 HydrophobicContact CD1-CB 4.31Å; F26-F161 AromaticContact CD1-CD1 3.97Å; F26-F161 HydrophobicContact CD1-CD1 3.97Å; F26-F161 HydrophobicContact CD1-CD2 4.36Å; F26-F161 HydrophobicContact CD1-CE1 4.38Å; F26-F161 AromaticContact CD1-CG 3.96Å; F26-F161 HydrophobicContact CD1-CG 3.96Å; F26-F161 HydrophobicContact CD2-CB 4.04Å; F26-F161 HydrophobicContact CD2-CD2 4.27Å; F26-F161 HydrophobicContact CD2-CG 4.21Å; F26-F161 HydrophobicContact CE1-CB 4.06Å; F26-F161 HydrophobicContact CE1-CD1 4.11Å; F26-F161 HydrophobicContact CE1-CG 4.14Å; F26-F161 HydrophobicContact CE2-CB 3.76Å; F26-F161 HydrophobicContact CE2-CG 4.36Å; F26-F161 HydrophobicContact CG-CB 4.28Å; F26-F161 HydrophobicContact CG-CD1 4.42Å; F26-F161 HydrophobicContact CG-CD2 4.01Å; F26-F161 HydrophobicContact CG-CE2 4.44Å; F26-F161 AromaticContact CG-CG 3.99Å; F26-F161 HydrophobicContact CG-CG 3.99Å; F26-F161 HydrophobicContact CZ-CB 3.77Å; F26-F161 HydrophobicContact CZ-CG 4.33Å; I58-F161 HydrophobicContact CD1-CD1 4.29Å; I58-F161 HydrophobicContact CD1-CE1 4.26Å; I58-F161 HydrophobicContact CG2-CE1 4.17Å; V81-F161 HydrophobicContact CG2-CD1 4.47Å; V81-F161 HydrophobicContact CG2-CE1 4.23Å; V81-F161 HydrophobicContact CG2-CZ 4.44Å; V157-F161 HydrophobicContact CG1-CD2 4.41Å; V157-F161 HydrophobicContact CG1-CE2 4.25Å; V157-F161 WeakPolarHBondContact O-CD2 3.4Å; V157-F161 PolarHBondContact O-N 2.99Å; A158-F161 PolarHBondContact O-N 2.99Å; E159-F161 PolarHBondContact O-N 3.5Å; F161-L164 PolarHBondContact O-N 3.03Å; F161-C165 PolarHBondContact O-N 2.67Å; F161-C165 PolarHBondContact O-SG 3.25Å
162H97.2Very high93.1Very high37 Ų3746.2 Ų46.217%0.17124%0.235CC..Hα-helixtrans-65.5-41.3176.7-69.1169.8000112.1F26 I49 A158 E159 L164 C165 R166F26-H162 AromaticContact CE2-CD2 3.92Å; F26-H162 AromaticContact CE2-NE2 3.71Å; I49-H162 HydrophobicContact CD1-CB 4.39Å; I49-H162 HydrophobicContact CG2-CB 4Å; A158-H162 WeakPolarHBondContact O-CB 2.84Å; A158-H162 PolarHBondContact O-N 3.49Å; E159-H162 PolarHBondContact O-N 2.98Å; H162-L164 VanDerWaalsContact C-N 3.33Å; H162-L164 PolarHBondContact O-N 2.78Å; H162-C165 CarbonylContact O-C 3.59Å; H162-C165 WeakPolarHBondContact O-CA 3.18Å; H162-C165 WeakPolarHBondContact O-CB 3.18Å; H162-C165 PolarHBondContact O-N 3.36Å; H162-C165 VanDerWaalsContact O-N 3.08Å; H162-R166 WeakPolarHBondContact O-CG 3.34Å; H162-R166 PolarHBondContact O-N 3.49Å
163E97.5Very high92.7Very high36 Ų3647.4 Ų47.417%0.16825%0.249CC..Hα-helixtrans-63.5-40.5178.9-177.653.1-151.500111.7A143 Y145 E159 C165 R166 E167 R170A143-E163 HydrophobicContact CB-CG 4.04Å; Y145-E163 HydrophobicContact CE2-CB 4.22Å; Y145-E163 HydrophobicContact CE2-CG 4.36Å; Y145-E163 WeakPolarHBondContact OH-CB 3.5Å; Y145-E163 WeakPolarHBondContact OH-CG 3.38Å; E159-E163 VanDerWaalsContact O-CB 3.31Å; E159-E163 WeakPolarHBondContact O-CB 3.49Å; E159-E163 PolarHBondContact O-N 3.27Å; E163-C165 VanDerWaalsContact C-N 3.29Å; E163-C165 PolarHBondContact O-N 3.16Å; E163-R166 WeakPolarHBondContact O-CB 3.48Å; E163-R166 PolarHBondContact O-N 3.37Å; E163-R166 VanDerWaalsContact O-N 3.16Å; E163-R166 IonicContact OE2-NH1 2.81Å; E163-R166 PolarHBondContact OE2-NH1 2.9Å; E163-E167 PolarHBondContact O-N 2.9Å; E163-R170 IonicContact OE1-CZ 3.52Å; E163-R170 IonicContact OE1-NH2 3.6Å; E163-R170 PolarHBondContact OE1-NH2 3.41Å
164L97.4Very high92.8Very high0 Ų042.8 Ų42.80%023%0.234CC..Hα-helixtrans-59.7-41.3172.2-176.655.5000111.8L9 V81 P112 V114 A160 F161 H162 E167 L168L9-L164 HydrophobicContact CD1-CD2 4.45Å; L9-L164 HydrophobicContact CD2-CD2 3.82Å; L9-L164 HydrophobicContact CD2-CG 4.07Å; V81-L164 HydrophobicContact CG2-CD2 3.66Å; P112-L164 HydrophobicContact CB-CD1 3.76Å; V114-L164 HydrophobicContact CG2-CB 3.78Å; V114-L164 HydrophobicContact CG2-CD1 4.31Å; A160-L164 PolarHBondContact O-N 2.78Å; F161-L164 PolarHBondContact O-N 3.03Å; H162-L164 VanDerWaalsContact C-N 3.33Å; H162-L164 PolarHBondContact O-N 2.78Å; L164-E167 PolarHBondContact O-N 3.42Å; L164-L168 HydrophobicContact CG-CD1 4.33Å; L164-L168 WeakPolarHBondContact O-CB 3.35Å; L164-L168 WeakPolarHBondContact O-CG 3.3Å; L164-L168 PolarHBondContact O-N 2.96Å
165C96.1Very high92.4Very high1 Ų145.9 Ų45.91%0.00723%0.232CC..Hα-helixtrans-65.5-39.4175.3-66.90000112.3I49 F161 H162 E163 L168 R169I49-C165 HydrophobicContact CD1-CB 3.65Å; F161-C165 PolarHBondContact O-N 2.67Å; F161-C165 PolarHBondContact O-SG 3.25Å; H162-C165 CarbonylContact O-C 3.59Å; H162-C165 WeakPolarHBondContact O-CA 3.18Å; H162-C165 WeakPolarHBondContact O-CB 3.18Å; H162-C165 PolarHBondContact O-N 3.36Å; H162-C165 VanDerWaalsContact O-N 3.08Å; E163-C165 VanDerWaalsContact C-N 3.29Å; E163-C165 PolarHBondContact O-N 3.16Å; C165-L168 PolarHBondContact O-N 2.92Å; C165-R169 WeakPolarHBondContact O-CG 3.29Å; C165-R169 PolarHBondContact O-N 3.45Å
166R95.1Very high91.4Very high47 Ų4746.3 Ų46.318%0.17724%0.236CC..Hα-helixtrans-60.8-46.6173.2-69.8-171.9-158.9103.5-1110.7I49 D50 E159 H162 E163 L168 R169 R170I49-R166 HydrophobicContact CG2-CG 4.25Å; D50-R166 IonicContact OD1-CZ 2.74Å; D50-R166 IonicContact OD1-NE 3.11Å; D50-R166 PolarHBondContact OD1-NE 3.04Å; D50-R166 IonicContact OD1-NH2 2.67Å; D50-R166 VanDerWaalsContact OD2-CD 3.26Å; D50-R166 WeakPolarHBondContact OD2-CD 3.43Å; D50-R166 VanDerWaalsContact OD2-CG 3.29Å; D50-R166 WeakPolarHBondContact OD2-CG 3.34Å; D50-R166 IonicContact OD2-NE 3.87Å; D50-R166 PolarHBondContact OD2-NE 2.91Å; E159-R166 IonicContact OE1-CZ 2.84Å; E159-R166 IonicContact OE1-NH1 3.23Å; E159-R166 PolarHBondContact OE1-NH1 2.97Å; E159-R166 IonicContact OE1-NH2 3.58Å; E159-R166 PolarHBondContact OE1-NH2 3.25Å; E159-R166 IonicContact OE2-NH1 3.11Å; E159-R166 IonicContact OE2-NH2 3.61Å; E159-R166 PolarHBondContact OE2-NH2 3.25Å; H162-R166 WeakPolarHBondContact O-CG 3.34Å; H162-R166 PolarHBondContact O-N 3.49Å; E163-R166 WeakPolarHBondContact O-CB 3.48Å; E163-R166 PolarHBondContact O-N 3.37Å; E163-R166 VanDerWaalsContact O-N 3.16Å; E163-R166 IonicContact OE2-NH1 2.81Å; E163-R166 PolarHBondContact OE2-NH1 2.9Å; R166-L168 PolarHBondContact O-N 2.93Å; R166-R169 PolarHBondContact O-N 3.05Å; R166-R170 WeakPolarHBondContact O-CG 3.39Å; R166-R170 PolarHBondContact O-N 3.26Å
167E94.3Very high90.2Very high37 Ų3749.2 Ų49.217%0.17325%0.246CC..Hα-helixtrans-63.6-42.5180-179.958.5-171.700112.1P112 E163 L164 R169 R170 R171P112-E167 HydrophobicContact CB-CG 4.2Å; E163-E167 PolarHBondContact O-N 2.9Å; L164-E167 PolarHBondContact O-N 3.42Å; E167-R169 PolarHBondContact O-N 3.49Å; E167-R170 PolarHBondContact O-N 3.22Å; E167-R170 IonicContact OE2-CZ 3.82Å; E167-R170 IonicContact OE2-NE 3.76Å; E167-R170 PolarHBondContact OE2-NE 2.85Å; E167-R170 IonicContact OE2-NH1 3.04Å; E167-R170 PolarHBondContact OE2-NH1 3.46Å; E167-R170 IonicContact OE2-NH2 2.82Å; E167-R170 PolarHBondContact OE2-NH2 3.33Å; E167-R171 WeakPolarHBondContact O-CG 3.26Å; E167-R171 PolarHBondContact O-N 3.35Å; E167-R171 IonicContact OE1-CZ 3.58Å; E167-R171 IonicContact OE1-NE 2.81Å; E167-R171 PolarHBondContact OE1-NE 3.44Å; E167-R171 IonicContact OE1-NH2 3.36Å; E167-R171 PolarHBondContact OE1-NH2 2.81Å
168L92.9Very high88.7Confident9 Ų951.8 Ų51.85%0.04727%0.268CS..Hα-helixtrans-57.6-46.2173.3-80.9165.4000112.4V7 L9 D78 P112 L164 C165 R166 R171 K172V7-L168 HydrophobicContact CB-CD1 4.19Å; V7-L168 HydrophobicContact CG1-CD1 4.32Å; L9-L168 HydrophobicContact CD2-CD1 3.56Å; D78-L168 HydrophobicContact CB-CD1 4.49Å; D78-L168 HydrophobicContact CB-CD2 3.83Å; D78-L168 WeakPolarHBondContact O-CD2 3.47Å; P112-L168 HydrophobicContact CB-CD2 3.97Å; P112-L168 HydrophobicContact CB-CG 4Å; P112-L168 HydrophobicContact CG-CD2 3.64Å; P112-L168 HydrophobicContact CG-CG 4.14Å; L164-L168 HydrophobicContact CG-CD1 4.33Å; L164-L168 WeakPolarHBondContact O-CB 3.35Å; L164-L168 WeakPolarHBondContact O-CG 3.3Å; L164-L168 PolarHBondContact O-N 2.96Å; C165-L168 PolarHBondContact O-N 2.92Å; R166-L168 PolarHBondContact O-N 2.93Å; L168-R171 PolarHBondContact O-N 3.41Å; L168-K172 WeakPolarHBondContact O-CG 3.26Å; L168-K172 PolarHBondContact O-N 3.41Å
169R90.7Very high87.2Confident47 Ų4760.3 Ų60.318%0.17729%0.294CS..Hα-helixtrans-61.7-46.4176.4-76.2-174.8-72.6155.8-0.7111.3I49 D50 E52 C165 R166 E167 R171 K172 A173I49-R169 VanDerWaalsContact CG2-NH2 3.27Å; I49-R169 PolarHBondContact O-NH1 3.01Å; I49-R169 PolarHBondContact O-NH2 3.32Å; D50-R169 IonicContact OD2-CZ 2.92Å; D50-R169 IonicContact OD2-NH1 3.06Å; D50-R169 IonicContact OD2-NH2 2.83Å; D50-R169 PolarHBondContact OD2-NH2 3Å; E52-R169 WeakPolarHBondContact OE2-CD 3.46Å; E52-R169 IonicContact OE2-CZ 3.99Å; E52-R169 IonicContact OE2-NE 2.62Å; E52-R169 IonicContact OE2-NH1 3.77Å; E52-R169 PolarHBondContact OE2-NH1 3.39Å; C165-R169 WeakPolarHBondContact O-CG 3.29Å; C165-R169 PolarHBondContact O-N 3.45Å; R166-R169 PolarHBondContact O-N 3.05Å; E167-R169 PolarHBondContact O-N 3.49Å; R169-R171 PolarHBondContact O-N 3Å; R169-K172 PolarHBondContact O-N 3.41Å; R169-A173 PolarHBondContact O-N 2.87Å
170R89.9Confident85.7Confident126 Ų12666.4 Ų66.448%0.47531%0.314SS..Hα-helixtrans-55.8-47.6177-76.2-174.2-84.1145-17.7111.5E163 R166 E167 A173 V174E163-R170 IonicContact OE1-CZ 3.52Å; E163-R170 IonicContact OE1-NH2 3.6Å; E163-R170 PolarHBondContact OE1-NH2 3.41Å; R166-R170 WeakPolarHBondContact O-CG 3.39Å; R166-R170 PolarHBondContact O-N 3.26Å; E167-R170 PolarHBondContact O-N 3.22Å; E167-R170 IonicContact OE2-CZ 3.82Å; E167-R170 IonicContact OE2-NE 3.76Å; E167-R170 PolarHBondContact OE2-NE 2.85Å; E167-R170 IonicContact OE2-NH1 3.04Å; E167-R170 PolarHBondContact OE2-NH1 3.46Å; E167-R170 IonicContact OE2-NH2 2.82Å; E167-R170 PolarHBondContact OE2-NH2 3.33Å; R170-A173 PolarHBondContact O-N 2.93Å; R170-V174 WeakPolarHBondContact O-CG2 3.13Å; R170-V174 PolarHBondContact O-N 3.37Å; R170-V174 VanDerWaalsContact O-N 3.11Å
171R87.4Confident84.1Confident34 Ų3475.9 Ų75.913%0.12835%0.35CS..Hα-helixtrans-66.9-41.8179.5-66.7-166.8-163.6-176.4-0.6113.1N110 V111 E167 L168 R169 A173 V174 Q175N110-R171 VanDerWaalsContact CG-NH1 3.32Å; N110-R171 PolarHBondContact O-NH1 2.95Å; N110-R171 PolarHBondContact OD1-NH1 3.27Å; N110-R171 PolarHBondContact OD1-NH2 3.32Å; V111-R171 PolarHBondContact O-NH1 3.49Å; E167-R171 WeakPolarHBondContact O-CG 3.26Å; E167-R171 PolarHBondContact O-N 3.35Å; E167-R171 IonicContact OE1-CZ 3.58Å; E167-R171 IonicContact OE1-NE 2.81Å; E167-R171 PolarHBondContact OE1-NE 3.44Å; E167-R171 IonicContact OE1-NH2 3.36Å; E167-R171 PolarHBondContact OE1-NH2 2.81Å; L168-R171 PolarHBondContact O-N 3.41Å; R169-R171 PolarHBondContact O-N 3Å; R171-A173 VanDerWaalsContact C-N 3.29Å; R171-A173 PolarHBondContact O-N 3.13Å; R171-V174 PolarHBondContact O-N 2.71Å; R171-Q175 WeakPolarHBondContact O-CG 3.44Å; R171-Q175 PolarHBondContact O-N 3.05Å
172K84.7Confident82.8Confident93 Ų9378.5 Ų78.540%0.40437%0.369SS..Hα-helixtrans-59.2-41.1175.1-75.2179.5-179.5177.60111.1L168 R169 G176L168-K172 WeakPolarHBondContact O-CG 3.26Å; L168-K172 PolarHBondContact O-N 3.41Å; R169-K172 PolarHBondContact O-N 3.41Å; K172-G176 PolarHBondContact O-N 2.84Å
173A84.6Confident81.7Confident54 Ų5479.7 Ų79.745%0.44638%0.381SS..Hα-helixtrans-64.9-42.6177.500000113.1R169 R170 R171 K177R169-A173 PolarHBondContact O-N 2.87Å; R170-A173 PolarHBondContact O-N 2.93Å; R171-A173 VanDerWaalsContact C-N 3.29Å; R171-A173 PolarHBondContact O-N 3.13Å; A173-K177 WeakPolarHBondContact O-CG 3.4Å; A173-K177 PolarHBondContact O-N 3.37Å; A173-K177 VanDerWaalsContact O-N 3.09Å
174V81.8Confident80.3Confident102 Ų10281.6 Ų81.662%0.61840%0.396SS*.Hα-helixtrans-65.1-46.7177.6174.30000111.2R170 R171 G176 K177 A178R170-V174 WeakPolarHBondContact O-CG2 3.13Å; R170-V174 PolarHBondContact O-N 3.37Å; R170-V174 VanDerWaalsContact O-N 3.11Å; R171-V174 PolarHBondContact O-N 2.71Å; V174-G176 PolarHBondContact O-N 3.46Å; V174-K177 PolarHBondContact O-N 2.96Å; V174-A178 PolarHBondContact O-N 3.01Å
175Q75Confident79.1Confident126 Ų12685.8 Ų85.859%0.58942%0.421SS*.Hα-helixtrans-62.5-41.4177.9-69.7-179.535.100111.9R171 K177 A178 R179R171-Q175 WeakPolarHBondContact O-CG 3.44Å; R171-Q175 PolarHBondContact O-N 3.05Å; Q175-K177 PolarHBondContact O-N 2.95Å; Q175-A178 PolarHBondContact O-N 2.65Å; Q175-R179 PolarHBondContact O-N 3.1Å
176G70.8Confident78Confident36 Ų3691.3 Ų91.337%0.37145%0.446SS..Hα-helixtrans-60.5-42.2175.400000113K172 V174 R180K172-G176 PolarHBondContact O-N 2.84Å; V174-G176 PolarHBondContact O-N 3.46Å; G176-R180 WeakPolarHBondContact O-CG 3.48Å; G176-R180 PolarHBondContact O-N 3.34Å; G176-R180 VanDerWaalsContact O-N 3.11Å
177K70.4Confident77.1Confident149 Ų14993 Ų9365%0.64846%0.462SS*.Hα-helixtrans-66.1-42175.9-73.8176.6-178.6177.40112.2A173 V174 Q175 R180 R181A173-K177 WeakPolarHBondContact O-CG 3.4Å; A173-K177 PolarHBondContact O-N 3.37Å; A173-K177 VanDerWaalsContact O-N 3.09Å; V174-K177 PolarHBondContact O-N 2.96Å; Q175-K177 PolarHBondContact O-N 2.95Å; K177-R180 PolarHBondContact O-N 3.03Å; K177-R181 PolarHBondContact O-N 3.03Å
178A67.2Low76.1Confident57 Ų5798 Ų9847%0.47148%0.483SS..Hα-helixtrans-62.8-44.417700000112V174 Q175 R180 R181 S182V174-A178 PolarHBondContact O-N 3.01Å; Q175-A178 PolarHBondContact O-N 2.65Å; A178-R180 PolarHBondContact O-N 3.42Å; A178-R181 PolarHBondContact O-N 3.17Å; A178-S182 PolarHBondContact O-N 3.14Å
179R63.8Low75.1Confident208 Ų208104 Ų10479%0.78551%0.511SS*.Hα-helixtrans-60.6-44.8176.1-119.9173.182.9157.13.1112.1Q175 S182 S183Q175-R179 PolarHBondContact O-N 3.1Å; R179-S182 PolarHBondContact O-N 2.66Å; R179-S183 PolarHBondContact O-N 2.93Å; R179-S183 PolarHBondContact O-OG 2.81Å
180R66.8Low74.3Confident190 Ų190104.6 Ų104.672%0.71753%0.526SS*.Hα-helixtrans-62.9-43.6177.3-74.7175.667.1122.40.1112.4G176 K177 A178 S183 T184G176-R180 WeakPolarHBondContact O-CG 3.48Å; G176-R180 PolarHBondContact O-N 3.34Å; G176-R180 VanDerWaalsContact O-N 3.11Å; K177-R180 PolarHBondContact O-N 3.03Å; A178-R180 PolarHBondContact O-N 3.42Å; R180-S183 WeakPolarHBondContact CA-OG 3.41Å; R180-S183 PolarHBondContact O-N 2.81Å; R180-S183 PolarHBondContact O-OG 3.08Å; R180-T184 PolarHBondContact O-N 3.06Å; R180-T184 PolarHBondContact O-OG1 2.82Å
181R65.6Low73.8Confident201 Ų201103 Ų10376%0.75853%0.526SS*.Hα-helixtrans-60.5-47.9175.2-82-177.2158-175.6-5.5111.5K177 A178 S183 T184 T185K177-R181 PolarHBondContact O-N 3.03Å; A178-R181 PolarHBondContact O-N 3.17Å; R181-S183 PolarHBondContact O-N 3.48Å; R181-T184 PolarHBondContact O-N 3Å; R181-T185 PolarHBondContact O-N 3.4Å; R181-T185 PolarHBondContact O-OG1 3.45Å
182S70.6Confident73.4Confident59 Ų59106.5 Ų106.541%0.41355%0.548SS..Hα-helixtrans-58.3-47.7177-177.90000111.7A178 R179 T184 T185 H186A178-S182 PolarHBondContact O-N 3.14Å; R179-S182 PolarHBondContact O-N 2.66Å; S182-T184 PolarHBondContact O-N 3.33Å; S182-T185 PolarHBondContact O-N 3.13Å; S182-H186 PolarHBondContact O-N 3.22Å; S182-H186 VanDerWaalsContact O-N 3.08Å; S182-H186 PolarHBondContact O-ND1 3.05Å; S182-H186 PolarHBondContact OG-CE1 2.92Å; S182-H186 VanDerWaalsContact OG-CE1 3.31Å; S182-H186 PolarHBondContact OG-ND1 3.23Å
183S73.6Confident73Confident62 Ų62109.2 Ų109.243%0.43456%0.559SS.*Hα-helixtrans-62.3-40.6179.259.10000112.9R179 R180 R181 T185 H186 V187R179-S183 PolarHBondContact O-N 2.93Å; R179-S183 PolarHBondContact O-OG 2.81Å; R180-S183 WeakPolarHBondContact CA-OG 3.41Å; R180-S183 PolarHBondContact O-N 2.81Å; R180-S183 PolarHBondContact O-OG 3.08Å; R181-S183 PolarHBondContact O-N 3.48Å; S183-T185 PolarHBondContact O-N 3.32Å; S183-H186 PolarHBondContact O-N 2.68Å; S183-V187 VanDerWaalsContact O-CG2 3.31Å; S183-V187 WeakPolarHBondContact O-CG2 3.2Å; S183-V187 PolarHBondContact O-N 3.04Å
184T68Low72.4Confident76 Ų76113.2 Ų113.247%0.46657%0.57SS.*Hα-helixtrans-66.2-37.4177.7-55.60000111.9R180 R181 S182 V187 K188R180-T184 PolarHBondContact O-N 3.06Å; R180-T184 PolarHBondContact O-OG1 2.82Å; R181-T184 PolarHBondContact O-N 3Å; S182-T184 PolarHBondContact O-N 3.33Å; T184-V187 PolarHBondContact O-N 3.48Å; T184-K188 WeakPolarHBondContact O-CG 3.42Å; T184-K188 PolarHBondContact O-N 3.46Å
185T71.3Confident72.3Confident88 Ų88113.3 Ų113.354%0.5457%0.567SS.*Hα-helixtrans-63.8-45.7175.6-55.10000111.5R181 S182 S183 V187 K188 Q189R181-T185 PolarHBondContact O-N 3.4Å; R181-T185 PolarHBondContact O-OG1 3.45Å; S182-T185 PolarHBondContact O-N 3.13Å; S183-T185 PolarHBondContact O-N 3.32Å; T185-V187 PolarHBondContact O-N 3.19Å; T185-K188 PolarHBondContact O-N 3.06Å; T185-Q189 WeakPolarHBondContact O-CB 3.21Å; T185-Q189 PolarHBondContact O-N 3.46Å
186H72.9Confident72.3Confident116 Ų116111.4 Ų111.454%0.53756%0.564SS.*Hα-helixtrans-62.7-41177.7-7291.4000112.2S182 S183 Q189 A190S182-H186 PolarHBondContact O-N 3.22Å; S182-H186 VanDerWaalsContact O-N 3.08Å; S182-H186 PolarHBondContact O-ND1 3.05Å; S182-H186 PolarHBondContact OG-CE1 2.92Å; S182-H186 VanDerWaalsContact OG-CE1 3.31Å; S182-H186 PolarHBondContact OG-ND1 3.23Å; S183-H186 PolarHBondContact O-N 2.68Å; H186-Q189 PolarHBondContact O-N 3.19Å; H186-A190 WeakPolarHBondContact O-CB 3.24Å; H186-A190 PolarHBondContact O-N 3.32Å
187V76.7Confident72.2Confident84 Ų84117.4 Ų117.451%0.50958%0.58SS.*Hα-helixtrans-64.2-45.7176.4172.40000111.4S183 T184 T185 Q189 A190 I191S183-V187 VanDerWaalsContact O-CG2 3.31Å; S183-V187 WeakPolarHBondContact O-CG2 3.2Å; S183-V187 PolarHBondContact O-N 3.04Å; T184-V187 PolarHBondContact O-N 3.48Å; T185-V187 PolarHBondContact O-N 3.19Å; V187-Q189 VanDerWaalsContact C-N 3.32Å; V187-Q189 PolarHBondContact O-N 2.75Å; V187-A190 PolarHBondContact O-N 3.35Å; V187-I191 HydrophobicContact CG1-CD1 3.83Å; V187-I191 HydrophobicContact CG1-CG1 4.48Å; V187-I191 WeakPolarHBondContact O-CG1 3.38Å; V187-I191 PolarHBondContact O-N 3.14Å
188K74.3Confident72.1Confident142 Ų142116.7 Ų116.762%0.61758%0.582SS**Hα-helixtrans-59.9-42176.3-76.8-176.3176.1-172.10112.1T184 T185 I191 N192T184-K188 WeakPolarHBondContact O-CG 3.42Å; T184-K188 PolarHBondContact O-N 3.46Å; T185-K188 PolarHBondContact O-N 3.06Å; K188-I191 PolarHBondContact O-N 2.76Å; K188-N192 PolarHBondContact O-N 2.81Å
189Q71.7Confident71.8Confident133 Ų133119.3 Ų119.362%0.62160%0.597SS**Hα-helixtrans-67.5-38.1179.2-161.6175.78.800112T185 H186 V187 K193T185-Q189 WeakPolarHBondContact O-CB 3.21Å; T185-Q189 PolarHBondContact O-N 3.46Å; H186-Q189 PolarHBondContact O-N 3.19Å; V187-Q189 VanDerWaalsContact C-N 3.32Å; V187-Q189 PolarHBondContact O-N 2.75Å; Q189-K193 WeakPolarHBondContact O-CB 3.39Å; Q189-K193 PolarHBondContact O-N 3.18Å; Q189-K193 VanDerWaalsContact O-N 3.12Å
190A74.3Confident71.3Confident61 Ų61116.7 Ų116.750%0.50461%0.61SS.*Hα-helixtrans-64.9-44.6174.700000112.2H186 V187 K193 M194H186-A190 WeakPolarHBondContact O-CB 3.24Å; H186-A190 PolarHBondContact O-N 3.32Å; V187-A190 PolarHBondContact O-N 3.35Å; A190-K193 PolarHBondContact O-N 3.37Å; A190-M194 PolarHBondContact O-N 3.31Å
191I79.5Confident71.6Confident91 Ų91113 Ų11347%0.46761%0.605SS.*Hα-helixtrans-62.1-48.4177.5-68.5169.2000110.8V187 K188 K193 M194 L195V187-I191 HydrophobicContact CG1-CD1 3.83Å; V187-I191 HydrophobicContact CG1-CG1 4.48Å; V187-I191 WeakPolarHBondContact O-CG1 3.38Å; V187-I191 PolarHBondContact O-N 3.14Å; K188-I191 PolarHBondContact O-N 2.76Å; I191-K193 VanDerWaalsContact C-N 3.28Å; I191-K193 PolarHBondContact O-N 3.39Å; I191-M194 WeakPolarHBondContact O-CB 3.43Å; I191-M194 PolarHBondContact O-N 2.89Å; I191-M194 VanDerWaalsContact O-N 3.09Å; I191-L195 HydrophobicContact CG2-CD1 3.9Å; I191-L195 HydrophobicContact CG2-CG 4.35Å; I191-L195 WeakPolarHBondContact O-CG 3.38Å; I191-L195 PolarHBondContact O-N 3.01Å
192N77.8Confident71.9Confident109 Ų109108.4 Ų108.458%0.58360%0.597SS**Hα-helixtrans-58.1-41.7178.1-90.29.5000112.1K188 M194 L195 T196K188-N192 PolarHBondContact O-N 2.81Å; N192-M194 VanDerWaalsContact C-N 3.29Å; N192-M194 PolarHBondContact O-N 2.87Å; N192-L195 PolarHBondContact O-N 3.01Å; N192-T196 WeakPolarHBondContact O-CG2 3.48Å; N192-T196 PolarHBondContact O-N 3.34Å; N192-T196 PolarHBondContact O-OG1 2.9Å; N192-T196 VanDerWaalsContact O-OG1 3.09Å
193K75.8Confident72Confident150 Ų150111.1 Ų111.165%0.65261%0.607SS**Hα-helixtrans-66.4-31.2178.7-158.7174.5-173.31780112.6Q189 A190 I191 T196 K197Q189-K193 WeakPolarHBondContact O-CB 3.39Å; Q189-K193 PolarHBondContact O-N 3.18Å; Q189-K193 VanDerWaalsContact O-N 3.12Å; A190-K193 PolarHBondContact O-N 3.37Å; I191-K193 VanDerWaalsContact C-N 3.28Å; I191-K193 PolarHBondContact O-N 3.39Å; K193-T196 WeakPolarHBondContact CA-OG1 3.47Å; K193-T196 PolarHBondContact O-OG1 3.11Å; K193-K197 PolarHBondContact O-N 2.91Å
194M73.8Confident71.9Confident138 Ų138114 Ų11468%0.6862%0.617SS**Hα-helixtrans-71.8-45.7175.2-136.9174.7-161.300111.2A190 I191 N192 T196 K197 I198A190-M194 PolarHBondContact O-N 3.31Å; I191-M194 WeakPolarHBondContact O-CB 3.43Å; I191-M194 PolarHBondContact O-N 2.89Å; I191-M194 VanDerWaalsContact O-N 3.09Å; N192-M194 VanDerWaalsContact C-N 3.29Å; N192-M194 PolarHBondContact O-N 2.87Å; M194-T196 PolarHBondContact O-N 2.97Å; M194-K197 PolarHBondContact O-N 3.5Å; M194-I198 WeakPolarHBondContact O-CG1 3.42Å; M194-I198 PolarHBondContact O-N 3.05Å
195L77.9Confident72.1Confident103 Ų103116.4 Ų116.454%0.53963%0.626SS.*Hα-helixtrans-63-40.8178.5-68.4172.3000112.1I191 N192 K197 I198 S199I191-L195 HydrophobicContact CG2-CD1 3.9Å; I191-L195 HydrophobicContact CG2-CG 4.35Å; I191-L195 WeakPolarHBondContact O-CG 3.38Å; I191-L195 PolarHBondContact O-N 3.01Å; N192-L195 PolarHBondContact O-N 3.01Å; L195-K197 VanDerWaalsContact C-N 3.26Å; L195-K197 PolarHBondContact O-N 3.1Å; L195-I198 PolarHBondContact O-N 2.68Å; L195-S199 PolarHBondContact O-N 2.76Å
196T76.8Confident72.2Confident86 Ų86118.3 Ų118.353%0.52863%0.632SS.*Hα-helixtrans-63.9-30.5175.747.90000113.2N192 K193 M194 S200N192-T196 WeakPolarHBondContact O-CG2 3.48Å; N192-T196 PolarHBondContact O-N 3.34Å; N192-T196 PolarHBondContact O-OG1 2.9Å; N192-T196 VanDerWaalsContact O-OG1 3.09Å; K193-T196 WeakPolarHBondContact CA-OG1 3.47Å; K193-T196 PolarHBondContact O-OG1 3.11Å; M194-T196 PolarHBondContact O-N 2.97Å; T196-S200 PolarHBondContact O-OG 3.34Å
197K68.3Low72.1Confident162 Ų162118.4 Ų118.470%0.70464%0.639SS**Hα-helixtrans-77.2-23.9177.8-89.7-172.2172.1-169.70114K193 M194 L195K193-K197 PolarHBondContact O-N 2.91Å; M194-K197 PolarHBondContact O-N 3.5Å; L195-K197 VanDerWaalsContact C-N 3.26Å; L195-K197 PolarHBondContact O-N 3.1Å
198I67.6Low71.7Confident134 Ų134121.1 Ų121.169%0.68765%0.649SS**Hα-helixtrans-84.7-24.5178.7-63.7164.5000110.6M194 L195 S200M194-I198 WeakPolarHBondContact O-CG1 3.42Å; M194-I198 PolarHBondContact O-N 3.05Å; L195-I198 PolarHBondContact O-N 2.68Å; I198-S200 VanDerWaalsContact C-N 3.34Å
199S61.2Low71.5Confident113 Ų113119.3 Ų119.379%0.7965%0.652SS**  trans-905.8179.1-147.50000114.2L195L195-S199 PolarHBondContact O-N 2.76Å
200S54Low71.5Confident152 Ų152118.1 Ų118.1100%1.06365%0.654SS**  trans-111.90175.8-47.80000109.5T196 I198T196-S200 PolarHBondContact O-OG 3.34Å; I198-S200 VanDerWaalsContact C-N 3.34Å

Retrieved 200 of 200 residues in 100.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).