QOX3_STAA8 Loading...

Probable quinol oxidase subunit 3

Catalyzes quinol oxidation with the concomitant reduction of oxygen to water.

AlphaFold DB , UniProt , Accession Q2FZK1, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene qoxC, Length 201 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.9Very low52.9Low241 Ų24191.8 Ų91.8100%1.18748%0.48SS*.  089.50-145.5165.4164.700106.2H3M1-H3 PolarHBondContact O-N 3.01Å
2S49.4Very low53.6Low98 Ų9887.8 Ų87.869%0.68546%0.462SS*.  trans-67.8103.8175.3-177.90000106.1D4S2-D4 PolarHBondContact O-N 3.03Å; S2-D4 PolarHBondContact OG-OD1 3.02Å
3H49.3Very low54.4Low161 Ų16192.5 Ų92.575%0.74548%0.479SS*.  trans-73.389.7168.5-147.1-73.2000104.8M1 T5M1-H3 PolarHBondContact O-N 3.01Å; H3-T5 HydrophobicContact CB-CG2 4.46Å; H3-T5 WeakPolarHBondContact ND1-CG2 3.37Å; H3-T5 PolarHBondContact O-N 2.97Å
4D52.1Low55.3Low118 Ų11894.7 Ų94.763%0.63149%0.487SS*.  trans-62.876173.6-73.3-11.6000108.1S2 N6S2-D4 PolarHBondContact O-N 3.03Å; S2-D4 PolarHBondContact OG-OD1 3.02Å; D4-N6 PolarHBondContact O-N 3.28Å
5T56Low56.1Low81 Ų8188.5 Ų88.550%0.49746%0.455SS..  trans-76.268.4168.957.10000106.9H3 T7 S10H3-T5 HydrophobicContact CB-CG2 4.46Å; H3-T5 WeakPolarHBondContact ND1-CG2 3.37Å; H3-T5 PolarHBondContact O-N 2.97Å; T5-T7 PolarHBondContact O-N 3.24Å; T5-S10 PolarHBondContact O-OG 3.06Å
6N55.4Low57.1Low104 Ų10488.1 Ų88.156%0.55645%0.45SS*.  trans-69.254.2167.5-101.5-52.4000109.5D4 R11D4-N6 PolarHBondContact O-N 3.28Å; N6-R11 PolarHBondContact O-NE 3.36Å
7T55.7Low58.4Low31 Ų3188.5 Ų88.519%0.1945%0.453CS..  trans-70.4147.1176.152.80000108.6T5 D9 S10 R11T5-T7 PolarHBondContact O-N 3.24Å; T7-D9 WeakPolarHBondContact CB-OD1 3.31Å; T7-D9 PolarHBondContact O-N 2.96Å; T7-D9 PolarHBondContact OG1-OD1 2.93Å; T7-S10 PolarHBondContact N-OG 3.25Å; T7-S10 PolarHBondContact O-N 3.3Å; T7-S10 PolarHBondContact O-OG 2.83Å; T7-S10 PolarHBondContact OG1-OG 2.76Å; T7-R11 WeakPolarHBondContact O-CG 3.46Å; T7-R11 PolarHBondContact O-N 2.68Å
8I58.2Low59.6Low14 Ų1488.5 Ų88.57%0.07245%0.454CS..THydrogen-bonded Turntrans-54.7-21.7-171.255.2175000114.1E87 L163 A168I8-E87 HydrophobicContact CD1-CG 4.39Å; I8-L163 HydrophobicContact CD1-CD2 3.81Å; I8-A168 HydrophobicContact CD1-CB 3.58Å; I8-A168 HydrophobicContact CG1-CB 3.85Å
9D54.4Low60.6Low3 Ų385.4 Ų85.42%0.01644%0.437CS..THydrogen-bonded Turntrans-81-24.3176.265.2-54.8000115T7 K19 R85T7-D9 WeakPolarHBondContact CB-OD1 3.31Å; T7-D9 PolarHBondContact O-N 2.96Å; T7-D9 PolarHBondContact OG1-OD1 2.93Å; D9-K19 IonicContact OD2-NZ 3.88Å; D9-R85 IonicContact OD2-NH2 3.96Å
10S57Low61.8Low31 Ų3186.4 Ų86.422%0.21744%0.443CS..THydrogen-bonded Turntrans-96.2-9.3175.854.50000113.2T5 T7 T12 E16T5-S10 PolarHBondContact O-OG 3.06Å; T7-S10 PolarHBondContact N-OG 3.25Å; T7-S10 PolarHBondContact O-N 3.3Å; T7-S10 PolarHBondContact O-OG 2.83Å; T7-S10 PolarHBondContact OG1-OG 2.76Å; S10-T12 PolarHBondContact O-N 3.43Å; S10-E16 WeakPolarHBondContact CA-OE1 3.34Å; S10-E16 WeakPolarHBondContact CB-OE1 3.41Å
11R56Low63Low128 Ų12884.2 Ų84.248%0.48344%0.442SS..SBendtrans-70.21.4-177.8-73.3-175.7-176.1172.1-1.8115.1N6 T7 K165N6-R11 PolarHBondContact O-NE 3.36Å; T7-R11 WeakPolarHBondContact O-CG 3.46Å; T7-R11 PolarHBondContact O-N 2.68Å; R11-K165 HydrophobicContact CB-CD 4.49Å; R11-K165 PolarHBondContact O-NZ 3.22Å
12T62Low65.3Low43 Ų4373.5 Ų73.526%0.26439%0.389SS..SBendtrans-131.2133173.258.90000110.1S10 E14 G15 E16 K165S10-T12 PolarHBondContact O-N 3.43Å; T12-E14 PolarHBondContact O-N 3.04Å; T12-G15 WeakPolarHBondContact O-CA 3.47Å; T12-G15 PolarHBondContact O-N 3.01Å; T12-G15 PolarHBondContact OG1-N 3.44Å; T12-E16 PolarHBondContact O-N 3.24Å; T12-K165 HydrophobicContact CG2-CD 4.25Å
13H64.2Low67.2Low149 Ų14975.2 Ų75.269%0.6938%0.38SS*.Hα-helixtrans-57.3-32.9174.9-170.4-87.4000111.5G15 E16 L17H13-G15 VanDerWaalsContact C-N 3.34Å; H13-G15 PolarHBondContact O-N 3.24Å; H13-E16 PolarHBondContact O-N 2.94Å; H13-L17 WeakPolarHBondContact O-CG 3.27Å; H13-L17 PolarHBondContact O-N 3.47Å
14E66.9Low69.2Low124 Ų12473.4 Ų73.458%0.57938%0.375SS*.Hα-helixtrans-62.1-37.8171.4-63.3-179.1174.400112.8T12 L17 N18T12-E14 PolarHBondContact O-N 3.04Å; E14-L17 PolarHBondContact O-N 3.45Å; E14-N18 WeakPolarHBondContact O-CB 3.49Å; E14-N18 PolarHBondContact O-N 3.22Å; E14-N18 PolarHBondContact O-ND2 3.05Å; E14-N18 VanDerWaalsContact O-ND2 3.15Å
15G67.2Low71Confident1 Ų171.9 Ų71.91%0.0136%0.363CS..Hα-helixtrans-63.9-41.5176.100000112.2T12 H13 N18 K19T12-G15 WeakPolarHBondContact O-CA 3.47Å; T12-G15 PolarHBondContact O-N 3.01Å; T12-G15 PolarHBondContact OG1-N 3.44Å; H13-G15 VanDerWaalsContact C-N 3.34Å; H13-G15 PolarHBondContact O-N 3.24Å; G15-N18 PolarHBondContact O-N 2.9Å; G15-K19 WeakPolarHBondContact O-CE 3.01Å; G15-K19 WeakPolarHBondContact O-CG 3.45Å; G15-K19 PolarHBondContact O-N 3.19Å
16E72.4Confident72.7Confident82 Ų8268.6 Ų68.638%0.38334%0.342SS..Hα-helixtrans-63.8-46.9174.1-66.9-65.5124.600111.8S10 T12 H13 N18 K19 L20S10-E16 WeakPolarHBondContact CA-OE1 3.34Å; S10-E16 WeakPolarHBondContact CB-OE1 3.41Å; T12-E16 PolarHBondContact O-N 3.24Å; H13-E16 PolarHBondContact O-N 2.94Å; E16-N18 VanDerWaalsContact C-N 3.34Å; E16-N18 PolarHBondContact O-N 3.07Å; E16-K19 PolarHBondContact O-N 2.98Å; E16-K19 WeakPolarHBondContact OE1-CE 3.47Å; E16-K19 IonicContact OE1-NZ 3.86Å; E16-K19 PolarHBondContact OE1-NZ 3.26Å; E16-L20 WeakPolarHBondContact O-CG 3.38Å; E16-L20 PolarHBondContact O-N 3.48Å
17L79.5Confident74.4Confident95 Ų9567.7 Ų67.750%0.49734%0.341SS..Hα-helixtrans-61.3-41.4176.6-70.9174000112.2H13 E14 K19 L20 G21H13-L17 WeakPolarHBondContact O-CG 3.27Å; H13-L17 PolarHBondContact O-N 3.47Å; E14-L17 PolarHBondContact O-N 3.45Å; L17-K19 VanDerWaalsContact C-N 3.34Å; L17-L20 PolarHBondContact O-N 3.26Å; L17-G21 PolarHBondContact O-N 3.28Å
18N79.7Confident76.2Confident89 Ų8969.1 Ų69.148%0.47636%0.355SS..Hα-helixtrans-64.7-39176.4-71.8-23.8000111.7E14 G15 E16 F22 I173E14-N18 WeakPolarHBondContact O-CB 3.49Å; E14-N18 PolarHBondContact O-N 3.22Å; E14-N18 PolarHBondContact O-ND2 3.05Å; E14-N18 VanDerWaalsContact O-ND2 3.15Å; G15-N18 PolarHBondContact O-N 2.9Å; E16-N18 VanDerWaalsContact C-N 3.34Å; E16-N18 PolarHBondContact O-N 3.07Å; N18-F22 WeakPolarHBondContact O-CB 3.42Å; N18-F22 PolarHBondContact O-N 2.96Å; N18-I173 HydrophobicContact CB-CD1 4.04Å
19K78.8Confident77.9Confident29 Ų2970.1 Ų70.113%0.12636%0.359CS..Hα-helixtrans-63.5-45.3174.5-76.6-178.6-68.6-1760111.3D9 G15 E16 L17 F22 W23 F172D9-K19 IonicContact OD2-NZ 3.88Å; G15-K19 WeakPolarHBondContact O-CE 3.01Å; G15-K19 WeakPolarHBondContact O-CG 3.45Å; G15-K19 PolarHBondContact O-N 3.19Å; E16-K19 PolarHBondContact O-N 2.98Å; E16-K19 WeakPolarHBondContact OE1-CE 3.47Å; E16-K19 IonicContact OE1-NZ 3.86Å; E16-K19 PolarHBondContact OE1-NZ 3.26Å; L17-K19 VanDerWaalsContact C-N 3.34Å; K19-F22 PolarHBondContact O-N 2.87Å; K19-W23 PolarHBondContact O-N 2.57Å; K19-F172 HydrophobicContact CD-CD1 3.82Å; K19-F172 HydrophobicContact CD-CE1 3.83Å; K19-F172 HydrophobicContact CG-CD1 4.19Å; K19-F172 HydrophobicContact CG-CE1 4.38Å
20L83.5Confident79.7Confident106 Ų10675.3 Ų75.356%0.55538%0.382SS*.Hα-helixtrans-62.9-47.3176.6-70.8177.3000112.1E16 L17 F22 W23 I24E16-L20 WeakPolarHBondContact O-CG 3.38Å; E16-L20 PolarHBondContact O-N 3.48Å; L17-L20 PolarHBondContact O-N 3.26Å; L20-F22 PolarHBondContact O-N 3.41Å; L20-W23 PolarHBondContact O-N 2.89Å; L20-I24 WeakPolarHBondContact O-CG1 3.46Å; L20-I24 PolarHBondContact O-N 3.47Å; L20-I24 VanDerWaalsContact O-N 3.1Å
21G86.4Confident81.5Confident41 Ų4176.5 Ų76.542%0.42339%0.394SS..Hα-helixtrans-58.4-37.8175.800000112.1L17 I24 F25L17-G21 PolarHBondContact O-N 3.28Å; G21-I24 PolarHBondContact O-N 2.99Å; G21-F25 PolarHBondContact O-N 3.27Å
22F87.3Confident83.2Confident16 Ų1674 Ų747%0.0739%0.39CS..Hα-helixtrans-71.2-35.4177-173.8-109.5000113.5N18 K19 L20 I24 F25 I26 I173 L176 Y177N18-F22 WeakPolarHBondContact O-CB 3.42Å; N18-F22 PolarHBondContact O-N 2.96Å; K19-F22 PolarHBondContact O-N 2.87Å; L20-F22 PolarHBondContact O-N 3.41Å; F22-I24 VanDerWaalsContact C-N 3.33Å; F22-I24 PolarHBondContact O-N 3.08Å; F22-F25 AromaticContact CD2-CD1 3.93Å; F22-F25 HydrophobicContact CD2-CD1 3.93Å; F22-F25 AromaticContact CE2-CD1 3.67Å; F22-F25 HydrophobicContact CE2-CD1 3.67Å; F22-F25 HydrophobicContact CE2-CE1 4.13Å; F22-F25 WeakPolarHBondContact O-CB 3.2Å; F22-F25 PolarHBondContact O-N 3.32Å; F22-I26 HydrophobicContact CD1-CD1 3.72Å; F22-I26 HydrophobicContact CD1-CG1 4.34Å; F22-I26 HydrophobicContact CE1-CD1 3.13Å; F22-I26 HydrophobicContact CE1-CG1 3.8Å; F22-I26 HydrophobicContact CE2-CG1 4.37Å; F22-I26 HydrophobicContact CZ-CD1 3.58Å; F22-I26 HydrophobicContact CZ-CG1 3.75Å; F22-I26 PolarHBondContact O-N 2.95Å; F22-I173 HydrophobicContact CB-CG1 4.34Å; F22-I173 HydrophobicContact CB-CG2 4.31Å; F22-I173 HydrophobicContact CD1-CB 4.3Å; F22-I173 HydrophobicContact CD1-CG1 4.27Å; F22-I173 HydrophobicContact CD1-CG2 3.73Å; F22-I173 HydrophobicContact CD2-CG2 3.52Å; F22-I173 HydrophobicContact CE1-CG2 3.88Å; F22-I173 VanDerWaalsContact CE1-O 3.28Å; F22-I173 WeakPolarHBondContact CE1-O 3.28Å; F22-I173 HydrophobicContact CE2-CG2 3.72Å; F22-I173 HydrophobicContact CG-CB 4.42Å; F22-I173 HydrophobicContact CG-CG1 4.29Å; F22-I173 HydrophobicContact CG-CG2 3.56Å; F22-I173 HydrophobicContact CZ-CG2 3.93Å; F22-L176 HydrophobicContact CD1-CD2 3.91Å; F22-L176 HydrophobicContact CE1-CB 3.96Å; F22-L176 HydrophobicContact CE1-CD2 3.91Å; F22-L176 HydrophobicContact CE1-CG 4.04Å; F22-Y177 HydrophobicContact CE2-CD2 4.22Å; F22-Y177 AromaticContact CZ-CD2 3.9Å; F22-Y177 HydrophobicContact CZ-CD2 3.9Å; F22-Y177 HydrophobicContact CZ-CG 4.18Å
23W88.4Confident84.7Confident134 Ų13472.1 Ų72.151%0.50838%0.378SS..Hα-helixtrans-62.8-39171.2-87.4106.9000112.8K19 L20 F25 I26 T27 L176K19-W23 PolarHBondContact O-N 2.57Å; L20-W23 PolarHBondContact O-N 2.89Å; W23-F25 VanDerWaalsContact C-N 3.34Å; W23-I26 PolarHBondContact O-N 3.02Å; W23-T27 PolarHBondContact O-N 2.9Å; W23-T27 PolarHBondContact O-OG1 2.95Å; W23-L176 HydrophobicContact CD2-CD2 4.24Å; W23-L176 HydrophobicContact CH2-CD1 4.26Å; W23-L176 HydrophobicContact CH2-CD2 4.45Å; W23-L176 HydrophobicContact CZ2-CD1 4.05Å; W23-L176 HydrophobicContact CZ2-CD2 3.8Å
24I91.2Very high86.1Confident123 Ų12366.6 Ų66.663%0.63136%0.361SS*.Hα-helixtrans-63.2-44.8174-65.3167.6000109.9L20 G21 F22 T27 A28L20-I24 WeakPolarHBondContact O-CG1 3.46Å; L20-I24 PolarHBondContact O-N 3.47Å; L20-I24 VanDerWaalsContact O-N 3.1Å; G21-I24 PolarHBondContact O-N 2.99Å; F22-I24 VanDerWaalsContact C-N 3.33Å; F22-I24 PolarHBondContact O-N 3.08Å; I24-T27 WeakPolarHBondContact O-CB 3.2Å; I24-T27 PolarHBondContact O-N 3.09Å; I24-A28 PolarHBondContact O-N 2.86Å
25F91.2Very high87.4Confident86 Ų8664.8 Ų64.838%0.37736%0.359SS..Hα-helixtrans-58.3-48.7174.9172.8-100.5000112.1G21 F22 W23 T27 A28 E29 Y177G21-F25 PolarHBondContact O-N 3.27Å; F22-F25 AromaticContact CD2-CD1 3.93Å; F22-F25 HydrophobicContact CD2-CD1 3.93Å; F22-F25 AromaticContact CE2-CD1 3.67Å; F22-F25 HydrophobicContact CE2-CD1 3.67Å; F22-F25 HydrophobicContact CE2-CE1 4.13Å; F22-F25 WeakPolarHBondContact O-CB 3.2Å; F22-F25 PolarHBondContact O-N 3.32Å; W23-F25 VanDerWaalsContact C-N 3.34Å; F25-T27 PolarHBondContact O-N 3.29Å; F25-A28 WeakPolarHBondContact O-CB 3.43Å; F25-A28 PolarHBondContact O-N 2.79Å; F25-A28 VanDerWaalsContact O-N 3.09Å; F25-E29 HydrophobicContact CD1-CG 4.38Å; F25-E29 HydrophobicContact CE1-CG 3.85Å; F25-E29 HydrophobicContact CE2-CG 4.04Å; F25-E29 WeakPolarHBondContact CE2-OE1 3.35Å; F25-E29 HydrophobicContact CZ-CG 3.65Å; F25-E29 WeakPolarHBondContact CZ-OE1 3.47Å; F25-E29 PolarHBondContact O-N 3.32Å; F25-Y177 HydrophobicContact CE1-CD2 4.45Å; F25-Y177 HydrophobicContact CE1-CE2 4.24Å
26I91.5Very high88.5Confident11 Ų1166.4 Ų66.46%0.05637%0.367CS..Hα-helixtrans-57.1-40175.5-76.1171.2000111.3F22 W23 A28 E29 F30 L176 F180F22-I26 HydrophobicContact CD1-CD1 3.72Å; F22-I26 HydrophobicContact CD1-CG1 4.34Å; F22-I26 HydrophobicContact CE1-CD1 3.13Å; F22-I26 HydrophobicContact CE1-CG1 3.8Å; F22-I26 HydrophobicContact CE2-CG1 4.37Å; F22-I26 HydrophobicContact CZ-CD1 3.58Å; F22-I26 HydrophobicContact CZ-CG1 3.75Å; F22-I26 PolarHBondContact O-N 2.95Å; W23-I26 PolarHBondContact O-N 3.02Å; I26-A28 VanDerWaalsContact C-N 3.31Å; I26-A28 PolarHBondContact O-N 3.36Å; I26-E29 PolarHBondContact O-N 3.28Å; I26-F30 WeakPolarHBondContact O-CB 3.35Å; I26-F30 PolarHBondContact O-N 3.36Å; I26-L176 HydrophobicContact CD1-CD2 3.81Å; I26-L176 HydrophobicContact CD1-CG 3.76Å; I26-F180 HydrophobicContact CG2-CD2 3.56Å; I26-F180 HydrophobicContact CG2-CE2 3.8Å; I26-F180 HydrophobicContact CG2-CG 3.97Å; I26-F180 HydrophobicContact CG2-CZ 4.4Å
27T90.9Very high89.3Confident86 Ų8663.8 Ų63.853%0.52835%0.354SS..Hα-helixtrans-65.9-36.9179.8-540000111.4W23 I24 F25 F30 A31W23-T27 PolarHBondContact O-N 2.9Å; W23-T27 PolarHBondContact O-OG1 2.95Å; I24-T27 WeakPolarHBondContact O-CB 3.2Å; I24-T27 PolarHBondContact O-N 3.09Å; F25-T27 PolarHBondContact O-N 3.29Å; T27-F30 PolarHBondContact O-N 3.11Å; T27-A31 PolarHBondContact O-N 2.83Å
28A94.4Very high89.7Confident60 Ų6061.7 Ų61.750%0.49635%0.351SS..Hα-helixtrans-66.8-43.6174.700000111.9I24 F25 I26 F30 A31 L32I24-A28 PolarHBondContact O-N 2.86Å; F25-A28 WeakPolarHBondContact O-CB 3.43Å; F25-A28 PolarHBondContact O-N 2.79Å; F25-A28 VanDerWaalsContact O-N 3.09Å; I26-A28 VanDerWaalsContact C-N 3.31Å; I26-A28 PolarHBondContact O-N 3.36Å; A28-F30 VanDerWaalsContact C-N 3.34Å; A28-F30 PolarHBondContact O-N 3.3Å; A28-A31 WeakPolarHBondContact O-CB 3.44Å; A28-A31 PolarHBondContact O-N 3.36Å; A28-L32 PolarHBondContact O-N 3.48Å
29E93.3Very high90.1Very high35 Ų3560.7 Ų60.716%0.16435%0.348CS..Hα-helixtrans-61.4-42.3173.5-69.7-64.8149.300111.4F25 I26 A31 L32 F33 H143 F180F25-E29 HydrophobicContact CD1-CG 4.38Å; F25-E29 HydrophobicContact CE1-CG 3.85Å; F25-E29 HydrophobicContact CE2-CG 4.04Å; F25-E29 WeakPolarHBondContact CE2-OE1 3.35Å; F25-E29 HydrophobicContact CZ-CG 3.65Å; F25-E29 WeakPolarHBondContact CZ-OE1 3.47Å; F25-E29 PolarHBondContact O-N 3.32Å; I26-E29 PolarHBondContact O-N 3.28Å; E29-A31 VanDerWaalsContact C-N 3.3Å; E29-A31 PolarHBondContact O-N 2.89Å; E29-L32 WeakPolarHBondContact O-CB 3.45Å; E29-L32 PolarHBondContact O-N 3.21Å; E29-L32 VanDerWaalsContact O-N 3.16Å; E29-F33 VanDerWaalsContact O-CD2 3.28Å; E29-F33 WeakPolarHBondContact O-CD2 3.35Å; E29-F33 PolarHBondContact O-N 3.41Å; E29-H143 IonicContact OE2-CD2 3.98Å; E29-H143 IonicContact OE2-CE1 2.62Å; E29-H143 IonicContact OE2-NE2 3.56Å; E29-H143 PolarHBondContact OE2-NE2 2.85Å; E29-F180 HydrophobicContact CB-CE1 3.82Å; E29-F180 HydrophobicContact CB-CZ 4.06Å
30F92.2Very high90.3Very high113 Ų11359.3 Ų59.350%0.49634%0.342SS..Hα-helixtrans-60-41.4175.2-176.9-100.6000111.9I26 T27 A28 G34 F180I26-F30 WeakPolarHBondContact O-CB 3.35Å; I26-F30 PolarHBondContact O-N 3.36Å; T27-F30 PolarHBondContact O-N 3.11Å; A28-F30 VanDerWaalsContact C-N 3.34Å; A28-F30 PolarHBondContact O-N 3.3Å; F30-G34 WeakPolarHBondContact O-CA 3.4Å; F30-G34 PolarHBondContact O-N 2.87Å; F30-F180 HydrophobicContact CB-CE2 3.86Å; F30-F180 HydrophobicContact CB-CZ 3.94Å; F30-F180 AromaticContact CD2-CE2 3.95Å; F30-F180 HydrophobicContact CD2-CE2 3.95Å; F30-F180 HydrophobicContact CD2-CZ 4.44Å; F30-F180 HydrophobicContact CG-CE2 4.39Å
31A94.2Very high90.2Very high56 Ų5657.4 Ų57.446%0.46333%0.332SS..Hα-helixtrans-64.7-43.2174.200000111.6T27 A28 E29 G34 T35T27-A31 PolarHBondContact O-N 2.83Å; A28-A31 WeakPolarHBondContact O-CB 3.44Å; A28-A31 PolarHBondContact O-N 3.36Å; E29-A31 VanDerWaalsContact C-N 3.3Å; E29-A31 PolarHBondContact O-N 2.89Å; A31-G34 PolarHBondContact O-N 3.09Å; A31-T35 WeakPolarHBondContact O-CG2 3.3Å; A31-T35 PolarHBondContact O-N 2.93Å
32L93.1Very high90Very high76 Ų7660.2 Ų60.240%0.39834%0.341SS..Hα-helixtrans-56.4-56.1175.8-178.6156.7000111A28 E29 G34 T35 L36 T139A28-L32 PolarHBondContact O-N 3.48Å; E29-L32 WeakPolarHBondContact O-CB 3.45Å; E29-L32 PolarHBondContact O-N 3.21Å; E29-L32 VanDerWaalsContact O-N 3.16Å; L32-G34 VanDerWaalsContact C-N 3.29Å; L32-G34 PolarHBondContact O-N 3.01Å; L32-T35 PolarHBondContact O-N 3.48Å; L32-T35 VanDerWaalsContact O-N 3.15Å; L32-T35 PolarHBondContact O-OG1 3.21Å; L32-L36 HydrophobicContact CD2-CD1 3.83Å; L32-L36 HydrophobicContact CD2-CG 4.47Å; L32-L36 PolarHBondContact O-N 3.12Å; L32-L36 VanDerWaalsContact O-N 3.15Å; L32-T139 HydrophobicContact CD2-CG2 4.37Å
33F93.1Very high89.5Confident3 Ų362 Ų621%0.01335%0.351CS..Hα-helixtrans-60.7-41.1177.1-78.3-72.1000111.1E29 T35 L36 F37 L136 T139 H140 H143 V184E29-F33 VanDerWaalsContact O-CD2 3.28Å; E29-F33 WeakPolarHBondContact O-CD2 3.35Å; E29-F33 PolarHBondContact O-N 3.41Å; F33-T35 VanDerWaalsContact C-N 3.29Å; F33-T35 PolarHBondContact O-N 3.48Å; F33-L36 HydrophobicContact CD1-CD1 4.47Å; F33-L36 WeakPolarHBondContact O-CB 3.07Å; F33-L36 PolarHBondContact O-N 3.38Å; F33-F37 HydrophobicContact CB-CD2 4.42Å; F33-F37 HydrophobicContact CB-CE2 4.42Å; F33-F37 WeakPolarHBondContact O-CD2 3.29Å; F33-F37 PolarHBondContact O-N 2.93Å; F33-L136 HydrophobicContact CD1-CD1 4.21Å; F33-T139 HydrophobicContact CE1-CG2 4.3Å; F33-T139 HydrophobicContact CZ-CG2 4.37Å; F33-H140 HydrophobicContact CE1-CB 3.99Å; F33-H140 HydrophobicContact CZ-CB 4.49Å; F33-H143 AromaticContact CE2-ND1 3.81Å; F33-H143 HydrophobicContact CZ-CB 4.17Å; F33-H143 AromaticContact CZ-ND1 3.96Å; F33-V184 HydrophobicContact CB-CG1 4.36Å; F33-V184 HydrophobicContact CD1-CG1 3.82Å; F33-V184 HydrophobicContact CD2-CG1 4.29Å; F33-V184 HydrophobicContact CD2-CG2 4.29Å; F33-V184 HydrophobicContact CE1-CG1 4.18Å; F33-V184 HydrophobicContact CG-CG1 3.89Å; F33-V184 HydrophobicContact CG-CG2 4.46Å
34G93.3Very high88.6Confident33 Ų3355.9 Ų55.934%0.3433%0.328SS..Hα-helixtrans-55-41.5175.100000113.1F30 A31 L32 F37 A38F30-G34 WeakPolarHBondContact O-CA 3.4Å; F30-G34 PolarHBondContact O-N 2.87Å; A31-G34 PolarHBondContact O-N 3.09Å; L32-G34 VanDerWaalsContact C-N 3.29Å; L32-G34 PolarHBondContact O-N 3.01Å; G34-F37 PolarHBondContact O-N 3.33Å; G34-A38 WeakPolarHBondContact O-CB 3.27Å; G34-A38 PolarHBondContact O-N 3.42Å
35T93.2Very high87.2Confident85 Ų8556.7 Ų56.752%0.52133%0.329SS..Hα-helixtrans-69.4-34.3174.963.60000113.5A31 L32 F33 A38 T39A31-T35 WeakPolarHBondContact O-CG2 3.3Å; A31-T35 PolarHBondContact O-N 2.93Å; L32-T35 PolarHBondContact O-N 3.48Å; L32-T35 VanDerWaalsContact O-N 3.15Å; L32-T35 PolarHBondContact O-OG1 3.21Å; F33-T35 VanDerWaalsContact C-N 3.29Å; F33-T35 PolarHBondContact O-N 3.48Å; T35-A38 PolarHBondContact O-N 3.37Å; T35-T39 WeakPolarHBondContact O-CB 3.4Å; T35-T39 PolarHBondContact O-N 3.11Å; T35-T39 PolarHBondContact O-OG1 2.75Å
36L91.5Very high85.5Confident36 Ų3656 Ų5619%0.18835%0.346CS..Hα-helixtrans-67.7-42.3174.7-67.3177.1000111L32 F33 T39 L40 I135 L136 T139L32-L36 HydrophobicContact CD2-CD1 3.83Å; L32-L36 HydrophobicContact CD2-CG 4.47Å; L32-L36 PolarHBondContact O-N 3.12Å; L32-L36 VanDerWaalsContact O-N 3.15Å; F33-L36 HydrophobicContact CD1-CD1 4.47Å; F33-L36 WeakPolarHBondContact O-CB 3.07Å; F33-L36 PolarHBondContact O-N 3.38Å; L36-T39 WeakPolarHBondContact O-CB 3.4Å; L36-T39 PolarHBondContact O-N 2.98Å; L36-L40 PolarHBondContact O-N 2.88Å; L36-I135 HydrophobicContact CD2-CG2 4.05Å; L36-L136 HydrophobicContact CB-CD1 3.56Å; L36-L136 HydrophobicContact CD1-CD1 4.27Å; L36-T139 HydrophobicContact CD1-CG2 4.27Å
37F88Confident83.6Confident26 Ų2656 Ų5611%0.11435%0.349CS..Hα-helixtrans-60.7-45.5172-83.5-73000112.1F33 G34 T39 L40 L41 L136 V184 F187 I188 A191F33-F37 HydrophobicContact CB-CD2 4.42Å; F33-F37 HydrophobicContact CB-CE2 4.42Å; F33-F37 WeakPolarHBondContact O-CD2 3.29Å; F33-F37 PolarHBondContact O-N 2.93Å; G34-F37 PolarHBondContact O-N 3.33Å; F37-T39 PolarHBondContact O-N 3.46Å; F37-L40 PolarHBondContact O-N 3.05Å; F37-L41 WeakPolarHBondContact O-CB 3.34Å; F37-L41 WeakPolarHBondContact O-CG 3.18Å; F37-L41 PolarHBondContact O-N 3.42Å; F37-L136 HydrophobicContact CD1-CD2 3.93Å; F37-L136 HydrophobicContact CD2-CD1 4.17Å; F37-L136 HydrophobicContact CE1-CD2 3.86Å; F37-L136 HydrophobicContact CE2-CD1 4.17Å; F37-L136 HydrophobicContact CG-CD1 4.4Å; F37-L136 HydrophobicContact CG-CD2 4.44Å; F37-L136 HydrophobicContact CZ-CD1 4.43Å; F37-L136 HydrophobicContact CZ-CD2 4.3Å; F37-V184 HydrophobicContact CE2-CG1 4.35Å; F37-F187 HydrophobicContact CE1-CB 4.21Å; F37-F187 HydrophobicContact CE2-CB 4.18Å; F37-F187 HydrophobicContact CZ-CB 3.64Å; F37-I188 HydrophobicContact CE1-CG1 4.03Å; F37-I188 HydrophobicContact CE2-CG1 4.23Å; F37-I188 HydrophobicContact CZ-CB 4.21Å; F37-I188 HydrophobicContact CZ-CG1 3.39Å; F37-A191 HydrophobicContact CD1-CB 4.13Å; F37-A191 HydrophobicContact CE1-CB 3.9Å
38A89.1Confident81.7Confident51 Ų5158.5 Ų58.542%0.42136%0.359SS..Hα-helixtrans-60-39.1176.700000111.5G34 T35 T42G34-A38 WeakPolarHBondContact O-CB 3.27Å; G34-A38 PolarHBondContact O-N 3.42Å; T35-A38 PolarHBondContact O-N 3.37Å; A38-T42 VanDerWaalsContact O-CB 3.29Å; A38-T42 WeakPolarHBondContact O-CB 3.48Å; A38-T42 PolarHBondContact O-N 2.9Å; A38-T42 PolarHBondContact O-OG1 3.34Å
39T87.1Confident79.7Confident69 Ų6959.2 Ų59.242%0.42335%0.35SS..Hα-helixtrans-64.6-47.3175.8-56.50000111T35 L36 F37 T42 L43T35-T39 WeakPolarHBondContact O-CB 3.4Å; T35-T39 PolarHBondContact O-N 3.11Å; T35-T39 PolarHBondContact O-OG1 2.75Å; L36-T39 WeakPolarHBondContact O-CB 3.4Å; L36-T39 PolarHBondContact O-N 2.98Å; F37-T39 PolarHBondContact O-N 3.46Å; T39-T42 PolarHBondContact O-N 3.42Å; T39-L43 HydrophobicContact CG2-CD1 3.79Å; T39-L43 HydrophobicContact CG2-CG 4.41Å; T39-L43 WeakPolarHBondContact O-CB 3.41Å; T39-L43 VanDerWaalsContact O-CG 3.29Å; T39-L43 WeakPolarHBondContact O-CG 3.35Å; T39-L43 PolarHBondContact O-N 2.86Å
40L84.3Confident77.7Confident0 Ų059.1 Ų59.10%036%0.355CS..Hα-helixtrans-56.9-52.7175.8-179.678.1000111.5L36 F37 T42 L43 Q44 Y129 S132 F133 L136 V192L36-L40 PolarHBondContact O-N 2.88Å; F37-L40 PolarHBondContact O-N 3.05Å; L40-T42 VanDerWaalsContact C-N 3.31Å; L40-T42 PolarHBondContact O-N 3.28Å; L40-L43 PolarHBondContact O-N 3.1Å; L40-Q44 WeakPolarHBondContact O-CB 3.5Å; L40-Q44 PolarHBondContact O-N 3.33Å; L40-Y129 HydrophobicContact CD1-CD2 3.96Å; L40-Y129 HydrophobicContact CD1-CE2 3.68Å; L40-Y129 HydrophobicContact CG-CE2 4.25Å; L40-S132 WeakPolarHBondContact CD1-OG 3.42Å; L40-F133 HydrophobicContact CD1-CB 4.05Å; L40-L136 HydrophobicContact CD2-CD2 3.82Å; L40-V192 HydrophobicContact CD2-CG2 3.71Å
41L81.3Confident75.7Confident65 Ų6557.3 Ų57.334%0.3437%0.368SS..Hα-helixtrans-64.6-35.4-178-68174.5000112.2F37 H45F37-L41 WeakPolarHBondContact O-CB 3.34Å; F37-L41 WeakPolarHBondContact O-CG 3.18Å; F37-L41 PolarHBondContact O-N 3.42Å; L41-H45 PolarHBondContact O-ND1 3.45Å
42T82.1Confident73.6Confident100 Ų10059.1 Ų59.161%0.61337%0.365SS*.Hα-helixtrans-68.8-44176.1-56.60000111A38 T39 L40 Q44 H45 G46A38-T42 VanDerWaalsContact O-CB 3.29Å; A38-T42 WeakPolarHBondContact O-CB 3.48Å; A38-T42 PolarHBondContact O-N 2.9Å; A38-T42 PolarHBondContact O-OG1 3.34Å; T39-T42 PolarHBondContact O-N 3.42Å; L40-T42 VanDerWaalsContact C-N 3.31Å; L40-T42 PolarHBondContact O-N 3.28Å; T42-Q44 VanDerWaalsContact C-N 3.31Å; T42-Q44 PolarHBondContact O-N 3.29Å; T42-H45 PolarHBondContact O-N 3.23Å; T42-G46 PolarHBondContact O-N 3.48Å
43L76.4Confident71.6Confident55 Ų5557.5 Ų57.529%0.28836%0.356SS..Hα-helixtrans-74.4-21.8179.2-67.2175.6000112.9T39 L40 H45 G47T39-L43 HydrophobicContact CG2-CD1 3.79Å; T39-L43 HydrophobicContact CG2-CG 4.41Å; T39-L43 WeakPolarHBondContact O-CB 3.41Å; T39-L43 VanDerWaalsContact O-CG 3.29Å; T39-L43 WeakPolarHBondContact O-CG 3.35Å; T39-L43 PolarHBondContact O-N 2.86Å; L40-L43 PolarHBondContact O-N 3.1Å; L43-H45 VanDerWaalsContact C-N 3.34Å; L43-G47 VanDerWaalsContact O-CA 3.28Å; L43-G47 WeakPolarHBondContact O-CA 3.39Å; L43-G47 PolarHBondContact O-N 2.99Å
44Q68.9Low69.5Low5 Ų560.3 Ų60.32%0.02337%0.373CS..Hα-helixtrans-64.7-38.4171.7-175177.1-10.700111.6L40 T42 Y49 Y129 I195L40-Q44 WeakPolarHBondContact O-CB 3.5Å; L40-Q44 PolarHBondContact O-N 3.33Å; T42-Q44 VanDerWaalsContact C-N 3.31Å; T42-Q44 PolarHBondContact O-N 3.29Å; Q44-Y49 HydrophobicContact CG-CE1 4.23Å; Q44-Y49 WeakPolarHBondContact CG-OH 3.43Å; Q44-Y49 VanDerWaalsContact O-CZ 3.22Å; Q44-Y49 PolarHBondContact O-OH 3.22Å; Q44-Y129 HydrophobicContact CB-CD2 3.96Å; Q44-Y129 HydrophobicContact CB-CE2 4.08Å; Q44-Y129 HydrophobicContact CG-CD2 4.25Å; Q44-Y129 HydrophobicContact CG-CE2 4.07Å; Q44-I195 VanDerWaalsContact NE2-CG2 3.34Å
45H62.4Low67.4Low139 Ų13962.5 Ų62.564%0.64438%0.38SS*.Hα-helixtrans-78.5-27179.8-68.487.9000113.6L41 T42 L43L41-H45 PolarHBondContact O-ND1 3.45Å; T42-H45 PolarHBondContact O-N 3.23Å; L43-H45 VanDerWaalsContact C-N 3.34Å
46G54.8Low65.3Low71 Ų7166.8 Ų66.873%0.73240%0.395SS*.Hα-helixtrans-112.7-10.6-173.500000115.9T42T42-G46 PolarHBondContact O-N 3.48Å
47G52.5Low63.4Low12 Ų1266 Ų6612%0.12439%0.39CS..SBendtrans-84.7134.6-176.600000111.7L43 Y49L43-G47 VanDerWaalsContact O-CA 3.28Å; L43-G47 WeakPolarHBondContact O-CA 3.39Å; L43-G47 PolarHBondContact O-N 2.99Å; G47-Y49 VanDerWaalsContact C-N 3.35Å; G47-Y49 PolarHBondContact O-N 3.02Å
48D50.2Low62Low138 Ų13866 Ų6674%0.73839%0.39SS*.  trans-56.5102.1161.1-170.125.7000107.2A50D48-A50 VanDerWaalsContact C-N 3.28Å; D48-A50 PolarHBondContact O-N 3.2Å
49Y53.4Low60.8Low76 Ų7667.7 Ų67.730%0.29839%0.389SS..  trans-59.1104.4163.9-59.1-86.4000103.5Q44 G47 G51 M53Q44-Y49 HydrophobicContact CG-CE1 4.23Å; Q44-Y49 WeakPolarHBondContact CG-OH 3.43Å; Q44-Y49 VanDerWaalsContact O-CZ 3.22Å; Q44-Y49 PolarHBondContact O-OH 3.22Å; G47-Y49 VanDerWaalsContact C-N 3.35Å; G47-Y49 PolarHBondContact O-N 3.02Å; Y49-G51 PolarHBondContact O-N 2.88Å; Y49-M53 HydrophobicContact CD1-CG 4.35Å; Y49-M53 HydrophobicContact CD1-SD 3.59Å; Y49-M53 VanDerWaalsContact CD1-SD 3.59Å; Y49-M53 HydrophobicContact CE1-SD 3.8Å; Y49-M53 HydrophobicContact CG-SD 4.36Å
50A49.8Very low59.7Low33 Ų3365.9 Ų65.927%0.27338%0.377SS..  trans-67.460.1-172.700000112.2D48 K52 I126D48-A50 VanDerWaalsContact C-N 3.28Å; D48-A50 PolarHBondContact O-N 3.2Å; A50-K52 WeakPolarHBondContact O-CG 3.47Å; A50-K52 PolarHBondContact O-N 3.22Å; A50-I126 WeakPolarHBondContact CB-O 3.33Å
51G50.2Low59Low74 Ų7470.2 Ų70.276%0.76341%0.405SS*.SBendtrans58.5-13178.300000117.2Y49Y49-G51 PolarHBondContact O-N 2.88Å
52K50.4Low58.6Low95 Ų9569 Ų6941%0.41340%0.399SS..  trans-10735-165.1-66.7-170.8173.5-168.50114A50 T54 E120A50-K52 WeakPolarHBondContact O-CG 3.47Å; A50-K52 PolarHBondContact O-N 3.22Å; K52-T54 PolarHBondContact O-N 3.27Å; K52-E120 PolarHBondContact NZ-O 3.06Å
53M51.3Low58.3Low42 Ų4264.5 Ų64.521%0.20737%0.371CS..  trans-75.967.1154-86.6-176.676.500107.8Y49 T55 G196Y49-M53 HydrophobicContact CD1-CG 4.35Å; Y49-M53 HydrophobicContact CD1-SD 3.59Å; Y49-M53 VanDerWaalsContact CD1-SD 3.59Å; Y49-M53 HydrophobicContact CE1-SD 3.8Å; Y49-M53 HydrophobicContact CG-SD 4.36Å; M53-T55 PolarHBondContact O-N 3.06Å; M53-G196 WeakPolarHBondContact CE-O 3.4Å
54T49.7Very low58.3Low61 Ų6164.8 Ų64.837%0.37437%0.373SS..  trans-81.3109.3162.441.60000105.3K52 E56 L57K52-T54 PolarHBondContact O-N 3.27Å; T54-E56 PolarHBondContact O-N 2.62Å; T54-L57 PolarHBondContact O-N 3.48Å; T54-L57 VanDerWaalsContact OG1-CG 3.27Å; T54-L57 WeakPolarHBondContact OG1-CG 3.4Å
55T49.6Very low58.8Low79 Ų7970 Ų7049%0.48540%0.399SS..THydrogen-bonded Turntrans-46.7-16.7167.35.20000112.6M53M53-T55 PolarHBondContact O-N 3.06Å
56E48.6Very low59.5Low176 Ų17664.7 Ų64.782%0.82238%0.375SS*.THydrogen-bonded Turntrans-69.4-24.4172.5-57.7-165.3167.700115T54T54-E56 PolarHBondContact O-N 2.62Å
57L51.4Low60.8Low18 Ų1861.6 Ų61.69%0.09434%0.342CS..THydrogen-bonded Turntrans-80.2-29.7-178.2-48.9-175000112.6T54 E59 Y117 E120 V122T54-L57 PolarHBondContact O-N 3.48Å; T54-L57 VanDerWaalsContact OG1-CG 3.27Å; T54-L57 WeakPolarHBondContact OG1-CG 3.4Å; L57-E59 PolarHBondContact O-N 3.46Å; L57-E59 VanDerWaalsContact O-N 3.12Å; L57-Y117 HydrophobicContact CB-CD1 4.35Å; L57-Y117 HydrophobicContact CB-CE1 3.95Å; L57-Y117 WeakPolarHBondContact O-CE1 3.35Å; L57-E120 VanDerWaalsContact CD1-OE2 3.3Å; L57-E120 WeakPolarHBondContact CD1-OE2 3.4Å; L57-E120 VanDerWaalsContact CD2-OE1 3.24Å; L57-E120 WeakPolarHBondContact CD2-OE1 3.41Å; L57-E120 WeakPolarHBondContact CD2-OE2 3.43Å; L57-E120 WeakPolarHBondContact CG-OE2 3.44Å; L57-V122 HydrophobicContact CD1-CG2 3.93Å
58F58.3Low62.2Low28 Ų2867.6 Ų67.612%0.12337%0.365CS..  trans-79.799.9-179.7-72.5-76000109.1L60 Y117 W130 Y193F58-L60 HydrophobicContact CB-CG 4.25Å; F58-L60 PolarHBondContact O-N 2.96Å; F58-Y117 AromaticContact CD1-CZ 4Å; F58-Y117 WeakPolarHBondContact CD1-OH 3.36Å; F58-Y117 AromaticContact CE1-CZ 3.97Å; F58-Y117 WeakPolarHBondContact CE1-OH 3Å; F58-W130 HydrophobicContact CE2-CH2 4.24Å; F58-W130 AromaticContact CZ-CH2 3.94Å; F58-W130 HydrophobicContact CZ-CH2 3.94Å; F58-W130 HydrophobicContact CZ-CZ3 4.34Å; F58-Y193 AromaticContact CD1-CD1 3.66Å; F58-Y193 HydrophobicContact CD1-CD1 3.66Å; F58-Y193 AromaticContact CD1-CE1 3.58Å; F58-Y193 HydrophobicContact CD1-CE1 3.58Å; F58-Y193 HydrophobicContact CE1-CD1 4.12Å; F58-Y193 AromaticContact CE1-CE1 3.9Å; F58-Y193 HydrophobicContact CE1-CE1 3.9Å
59E63.2Low63.7Low85 Ų8562.5 Ų62.540%0.39734%0.342SS..  trans-69.760.2166.7-66.8-167.4177.900111.1L57 P61 L62 V63L57-E59 PolarHBondContact O-N 3.46Å; L57-E59 VanDerWaalsContact O-N 3.12Å; E59-P61 VanDerWaalsContact C-N 3.32Å; E59-P61 VanDerWaalsContact O-N 3.17Å; E59-L62 HydrophobicContact CB-CB 4.17Å; E59-L62 WeakPolarHBondContact O-CB 3.42Å; E59-L62 PolarHBondContact O-N 3.29Å; E59-V63 PolarHBondContact O-N 3.46Å
60L65.8Low65.1Low32 Ų3259.2 Ų59.217%0.16833%0.33CS..Hα-helixtrans-42.8-45.5176.6-82.8155.2000114.8F58 L62 V63 L64 Y193 M197F58-L60 HydrophobicContact CB-CG 4.25Å; F58-L60 PolarHBondContact O-N 2.96Å; L60-L62 VanDerWaalsContact C-N 3.26Å; L60-L62 PolarHBondContact O-N 3.47Å; L60-V63 PolarHBondContact O-N 2.9Å; L60-L64 VanDerWaalsContact O-CB 3.23Å; L60-L64 WeakPolarHBondContact O-CB 3.29Å; L60-L64 WeakPolarHBondContact O-CG 3.36Å; L60-L64 PolarHBondContact O-N 2.98Å; L60-Y193 HydrophobicContact CD2-CD1 4.48Å; L60-M197 HydrophobicContact CD1-CG 3.78Å; L60-M197 HydrophobicContact CD1-SD 3.31Å; L60-M197 WeakPolarHBondContact CD1-SD 3.36Å; L60-M197 HydrophobicContact CD2-SD 4.09Å; L60-M197 HydrophobicContact CG-SD 4.34Å
61P69.3Low66.6Low90 Ų9061.2 Ų61.258%0.58434%0.335SS*.Hα-helixtrans-62.3-35.8179.421.5-32.1000112.3E59 I65E59-P61 VanDerWaalsContact C-N 3.32Å; E59-P61 VanDerWaalsContact O-N 3.17Å; P61-I65 WeakPolarHBondContact O-CB 3.24Å; P61-I65 WeakPolarHBondContact O-CD1 3.37Å; P61-I65 WeakPolarHBondContact O-CG1 3.42Å; P61-I65 PolarHBondContact O-N 3.16Å
62L73.3Confident68.2Low40 Ų4063.7 Ų63.721%0.20933%0.325CS..Hα-helixtrans-66.8-51.3177.1-173.4144.8000110E59 L60 L64 I65 M66 F109E59-L62 HydrophobicContact CB-CB 4.17Å; E59-L62 WeakPolarHBondContact O-CB 3.42Å; E59-L62 PolarHBondContact O-N 3.29Å; L60-L62 VanDerWaalsContact C-N 3.26Å; L60-L62 PolarHBondContact O-N 3.47Å; L62-L64 VanDerWaalsContact C-N 3.31Å; L62-L64 PolarHBondContact O-N 3.34Å; L62-I65 PolarHBondContact O-N 2.88Å; L62-M66 HydrophobicContact CD2-CE 4.42Å; L62-M66 HydrophobicContact CD2-CG 4.27Å; L62-M66 HydrophobicContact CG-CE 4.27Å; L62-M66 VanDerWaalsContact O-CG 3.29Å; L62-M66 WeakPolarHBondContact O-CG 3.31Å; L62-M66 PolarHBondContact O-N 3.08Å; L62-F109 HydrophobicContact CD1-CD1 3.98Å; L62-F109 HydrophobicContact CD1-CE1 3.88Å; L62-F109 HydrophobicContact CD2-CB 4.25Å; L62-F109 HydrophobicContact CD2-CD1 3.75Å; L62-F109 HydrophobicContact CD2-CE1 4.4Å; L62-F109 HydrophobicContact CD2-CG 4.18Å; L62-F109 HydrophobicContact CG-CD1 4.26Å; L62-F109 HydrophobicContact CG-CE1 4.44Å
63V75.5Confident69.7Low5 Ų559.2 Ų59.23%0.0331%0.306CS..Hα-helixtrans-61.7-38.3179.7-177.80000111.9E59 L60 M66 T67 W185 F189 Y193E59-V63 PolarHBondContact O-N 3.46Å; L60-V63 PolarHBondContact O-N 2.9Å; V63-M66 PolarHBondContact O-N 3.28Å; V63-T67 WeakPolarHBondContact O-CB 3.48Å; V63-T67 PolarHBondContact O-N 2.92Å; V63-T67 PolarHBondContact O-OG1 3.01Å; V63-W185 HydrophobicContact CG1-CZ2 4.07Å; V63-F189 HydrophobicContact CG1-CD2 3.82Å; V63-F189 HydrophobicContact CG1-CE2 4Å; V63-Y193 HydrophobicContact CB-CE1 4.4Å; V63-Y193 HydrophobicContact CG1-CD1 4.24Å; V63-Y193 HydrophobicContact CG1-CD2 4.46Å; V63-Y193 HydrophobicContact CG1-CE1 4.04Å; V63-Y193 HydrophobicContact CG1-CE2 4.24Å; V63-Y193 HydrophobicContact CG1-CG 4.44Å; V63-Y193 HydrophobicContact CG2-CD1 4.47Å; V63-Y193 HydrophobicContact CG2-CE1 3.91Å
64L76.7Confident71.2Confident62 Ų6258 Ų5833%0.32530%0.302SS..Hα-helixtrans-62.3-49.6175.4-88.2167.4000111.9L60 L62 M66 T67 F68 F189L60-L64 VanDerWaalsContact O-CB 3.23Å; L60-L64 WeakPolarHBondContact O-CB 3.29Å; L60-L64 WeakPolarHBondContact O-CG 3.36Å; L60-L64 PolarHBondContact O-N 2.98Å; L62-L64 VanDerWaalsContact C-N 3.31Å; L62-L64 PolarHBondContact O-N 3.34Å; L64-M66 VanDerWaalsContact C-N 3.27Å; L64-M66 PolarHBondContact O-N 2.96Å; L64-T67 WeakPolarHBondContact O-CB 3.43Å; L64-T67 PolarHBondContact O-N 3.4Å; L64-T67 VanDerWaalsContact O-N 3.16Å; L64-F68 HydrophobicContact CD2-CE2 4.23Å; L64-F68 WeakPolarHBondContact O-CD2 3.41Å; L64-F68 PolarHBondContact O-N 3.08Å; L64-F189 HydrophobicContact CD2-CE1 3.8Å; L64-F189 HydrophobicContact CD2-CE2 3.91Å; L64-F189 HydrophobicContact CD2-CZ 3.18Å; L64-F189 HydrophobicContact CG-CE2 3.97Å; L64-F189 HydrophobicContact CG-CZ 3.63Å
65I78.8Confident72.8Confident114 Ų11462.3 Ų62.359%0.58531%0.312SS*.Hα-helixtrans-59.5-42.7178.6-70.1165.2000110P61 L62 F68 A69P61-I65 WeakPolarHBondContact O-CB 3.24Å; P61-I65 WeakPolarHBondContact O-CD1 3.37Å; P61-I65 WeakPolarHBondContact O-CG1 3.42Å; P61-I65 PolarHBondContact O-N 3.16Å; L62-I65 PolarHBondContact O-N 2.88Å; I65-F68 PolarHBondContact O-N 3.25Å; I65-A69 WeakPolarHBondContact O-CB 3.42Å; I65-A69 PolarHBondContact O-N 3.04Å
66M76.5Confident74.5Confident27 Ų2758.7 Ų58.713%0.13329%0.29CS..Hα-helixtrans-65.3-40.1176.6-62.2-51.4154.700112.3L62 V63 L64 F68 A69 L70 V105 F106 F109L62-M66 HydrophobicContact CD2-CE 4.42Å; L62-M66 HydrophobicContact CD2-CG 4.27Å; L62-M66 HydrophobicContact CG-CE 4.27Å; L62-M66 VanDerWaalsContact O-CG 3.29Å; L62-M66 WeakPolarHBondContact O-CG 3.31Å; L62-M66 PolarHBondContact O-N 3.08Å; V63-M66 PolarHBondContact O-N 3.28Å; L64-M66 VanDerWaalsContact C-N 3.27Å; L64-M66 PolarHBondContact O-N 2.96Å; M66-F68 PolarHBondContact O-N 3.37Å; M66-A69 WeakPolarHBondContact O-CB 3.11Å; M66-A69 PolarHBondContact O-N 3.05Å; M66-A69 VanDerWaalsContact O-N 3.15Å; M66-L70 WeakPolarHBondContact O-CB 3.19Å; M66-L70 PolarHBondContact O-N 2.94Å; M66-V105 HydrophobicContact SD-CG1 4.24Å; M66-F106 HydrophobicContact CB-CD2 4.22Å; M66-F109 HydrophobicContact CE-CD1 4.08Å; M66-F109 HydrophobicContact CE-CD2 3.26Å; M66-F109 HydrophobicContact CE-CE1 3.95Å; M66-F109 HydrophobicContact CE-CE2 3.11Å; M66-F109 HydrophobicContact CE-CG 3.77Å; M66-F109 HydrophobicContact CE-CZ 3.48Å; M66-F109 VanDerWaalsContact CE-CZ 3.48Å; M66-F109 HydrophobicContact CG-CB 4.33Å; M66-F109 HydrophobicContact CG-CD2 4.2Å; M66-F109 HydrophobicContact CG-CG 4.33Å; M66-F109 HydrophobicContact SD-CD2 3.48Å; M66-F109 WeakPolarHBondContact SD-CD2 3.38Å; M66-F109 HydrophobicContact SD-CE2 3.8Å; M66-F109 HydrophobicContact SD-CG 4.17Å
67T83Confident76.3Confident7 Ų750.4 Ų50.44%0.04325%0.251CS..Hα-helixtrans-61.6-44.8177-60.40000110.9V63 L64 A69 L70 L71 W185 F189V63-T67 WeakPolarHBondContact O-CB 3.48Å; V63-T67 PolarHBondContact O-N 2.92Å; V63-T67 PolarHBondContact O-OG1 3.01Å; L64-T67 WeakPolarHBondContact O-CB 3.43Å; L64-T67 PolarHBondContact O-N 3.4Å; L64-T67 VanDerWaalsContact O-N 3.16Å; T67-A69 VanDerWaalsContact C-N 3.34Å; T67-A69 PolarHBondContact O-N 3.35Å; T67-L70 PolarHBondContact O-N 3.1Å; T67-L71 HydrophobicContact CG2-CD1 4.21Å; T67-L71 WeakPolarHBondContact O-CB 3.49Å; T67-L71 VanDerWaalsContact O-CG 3.31Å; T67-L71 WeakPolarHBondContact O-CG 3.34Å; T67-L71 PolarHBondContact O-N 3.5Å; T67-W185 PolarHBondContact OG1-NE1 3.38Å; T67-F189 HydrophobicContact CG2-CB 4.47Å; T67-F189 HydrophobicContact CG2-CD1 4.45Å; T67-F189 HydrophobicContact CG2-CG 4.2Å
68F82Confident78Confident138 Ų13851.4 Ų51.461%0.60527%0.267SS*.Hα-helixtrans-64.3-38.7173.5-78.9-66.2000112.4L64 I65 M66 L70 F72L64-F68 HydrophobicContact CD2-CE2 4.23Å; L64-F68 WeakPolarHBondContact O-CD2 3.41Å; L64-F68 PolarHBondContact O-N 3.08Å; I65-F68 PolarHBondContact O-N 3.25Å; M66-F68 PolarHBondContact O-N 3.37Å; F68-L70 VanDerWaalsContact C-N 3.32Å; F68-L70 PolarHBondContact O-N 2.92Å; F68-F72 VanDerWaalsContact O-CB 3.27Å; F68-F72 WeakPolarHBondContact O-CB 3.33Å; F68-F72 PolarHBondContact O-N 3.4Å
69A81Confident79.4Confident31 Ų3151.8 Ų51.826%0.25627%0.269SS..Hα-helixtrans-63.1-39175.900000111.9I65 M66 T67 F72 S73 L102I65-A69 WeakPolarHBondContact O-CB 3.42Å; I65-A69 PolarHBondContact O-N 3.04Å; M66-A69 WeakPolarHBondContact O-CB 3.11Å; M66-A69 PolarHBondContact O-N 3.05Å; M66-A69 VanDerWaalsContact O-N 3.15Å; T67-A69 VanDerWaalsContact C-N 3.34Å; T67-A69 PolarHBondContact O-N 3.35Å; A69-F72 PolarHBondContact O-N 2.95Å; A69-S73 WeakPolarHBondContact O-CB 3.35Å; A69-S73 PolarHBondContact O-N 2.84Å; A69-L102 HydrophobicContact CB-CD2 4.42Å
70L81.9Confident80.5Confident6 Ų647.7 Ų47.73%0.03125%0.25CS..Hα-helixtrans-73.2-43.1179.4-157.5131.1000111.5M66 T67 F68 F72 S73 S74 F106 D182 W185M66-L70 WeakPolarHBondContact O-CB 3.19Å; M66-L70 PolarHBondContact O-N 2.94Å; T67-L70 PolarHBondContact O-N 3.1Å; F68-L70 VanDerWaalsContact C-N 3.32Å; F68-L70 PolarHBondContact O-N 2.92Å; L70-F72 VanDerWaalsContact C-N 3.26Å; L70-F72 PolarHBondContact O-N 2.87Å; L70-S73 WeakPolarHBondContact O-CA 3.47Å; L70-S73 WeakPolarHBondContact O-CB 3.05Å; L70-S73 PolarHBondContact O-N 3.49Å; L70-S74 PolarHBondContact O-N 3.15Å; L70-F106 HydrophobicContact CD1-CB 3.58Å; L70-F106 HydrophobicContact CD1-CD1 3.39Å; L70-F106 HydrophobicContact CD1-CD2 3.43Å; L70-F106 VanDerWaalsContact CD1-CD2 3.43Å; L70-F106 HydrophobicContact CD1-CE1 3.92Å; L70-F106 HydrophobicContact CD1-CE2 3.94Å; L70-F106 HydrophobicContact CD1-CG 3.13Å; L70-F106 HydrophobicContact CD1-CZ 4.16Å; L70-D182 HydrophobicContact CD2-CB 3.79Å; L70-D182 WeakPolarHBondContact CD2-OD1 3.41Å; L70-W185 HydrophobicContact CD2-CB 4.32Å; L70-W185 HydrophobicContact CD2-CG 4.41Å
71L82.7Confident81.4Confident75 Ų7546.8 Ų46.839%0.39325%0.245SC..Hα-helixtrans-57.2-40.7169.8-75.8172.4000112.2T67 S73 S74 Y75 V186T67-L71 HydrophobicContact CG2-CD1 4.21Å; T67-L71 WeakPolarHBondContact O-CB 3.49Å; T67-L71 VanDerWaalsContact O-CG 3.31Å; T67-L71 WeakPolarHBondContact O-CG 3.34Å; T67-L71 PolarHBondContact O-N 3.5Å; L71-S73 VanDerWaalsContact C-N 3.31Å; L71-S74 WeakPolarHBondContact O-CB 3.4Å; L71-S74 PolarHBondContact O-N 2.48Å; L71-Y75 PolarHBondContact O-N 3.29Å; L71-V186 HydrophobicContact CD1-CG2 4.4Å; L71-V186 HydrophobicContact CD2-CG2 3.63Å; L71-V186 HydrophobicContact CG-CG2 4.26Å
72F82.2Confident82.2Confident127 Ų12749 Ų4956%0.55724%0.243SC*.Hα-helixtrans-68.2-32.8174-165.4-99.6000111.9F68 A69 L70 S74 Y75 T76F68-F72 VanDerWaalsContact O-CB 3.27Å; F68-F72 WeakPolarHBondContact O-CB 3.33Å; F68-F72 PolarHBondContact O-N 3.4Å; A69-F72 PolarHBondContact O-N 2.95Å; L70-F72 VanDerWaalsContact C-N 3.26Å; L70-F72 PolarHBondContact O-N 2.87Å; F72-S74 VanDerWaalsContact C-N 3.33Å; F72-S74 PolarHBondContact O-N 3.03Å; F72-Y75 HydrophobicContact CE2-CD1 4.41Å; F72-Y75 WeakPolarHBondContact O-CB 3.21Å; F72-Y75 PolarHBondContact O-N 3.48Å; F72-Y75 VanDerWaalsContact O-N 3.1Å; F72-T76 HydrophobicContact CD1-CG2 4.18Å; F72-T76 HydrophobicContact CE1-CG2 3.99Å; F72-T76 PolarHBondContact O-N 3.31Å
73S82.2Confident82.7Confident0 Ų049.9 Ų49.90%024%0.244CC..Hα-helixtrans-62.4-36.6173.8-166.90000112.8A69 L70 L71 Y75 T76 C77 T99A69-S73 WeakPolarHBondContact O-CB 3.35Å; A69-S73 PolarHBondContact O-N 2.84Å; L70-S73 WeakPolarHBondContact O-CA 3.47Å; L70-S73 WeakPolarHBondContact O-CB 3.05Å; L70-S73 PolarHBondContact O-N 3.49Å; L71-S73 VanDerWaalsContact C-N 3.31Å; S73-Y75 VanDerWaalsContact C-N 3.3Å; S73-Y75 PolarHBondContact O-N 2.98Å; S73-T76 WeakPolarHBondContact CA-OG1 3.41Å; S73-T76 PolarHBondContact O-N 3.24Å; S73-T76 PolarHBondContact O-OG1 2.88Å; S73-C77 WeakPolarHBondContact O-CB 3.48Å; S73-C77 PolarHBondContact O-N 3.43Å; S73-T99 PolarHBondContact O-OG1 2.84Å; S73-T99 VanDerWaalsContact O-OG1 3.12Å; S73-T99 VanDerWaalsContact OG-CA 3.24Å; S73-T99 WeakPolarHBondContact OG-CA 3.29Å; S73-T99 WeakPolarHBondContact OG-CG2 3.37Å; S73-T99 PolarHBondContact OG-O 2.92Å; S73-T99 VanDerWaalsContact OG-O 3.08Å
74S83.6Confident82.9Confident18 Ų1849.6 Ų49.613%0.12624%0.242CC..Hα-helixtrans-57.7-43.2170-1120000112.1L70 L71 F72 C77 G78 H179 D182L70-S74 PolarHBondContact O-N 3.15Å; L71-S74 WeakPolarHBondContact O-CB 3.4Å; L71-S74 PolarHBondContact O-N 2.48Å; F72-S74 VanDerWaalsContact C-N 3.33Å; F72-S74 PolarHBondContact O-N 3.03Å; S74-C77 WeakPolarHBondContact O-CB 3.31Å; S74-C77 PolarHBondContact O-N 3.43Å; S74-G78 PolarHBondContact O-N 3.46Å; S74-H179 PolarHBondContact OG-ND1 3.38Å; S74-D182 WeakPolarHBondContact CB-OD2 3.29Å; S74-D182 PolarHBondContact N-OD2 2.81Å; S74-D182 PolarHBondContact OG-OD2 2.79Å
75Y82.7Confident83Confident150 Ų15051.6 Ų51.659%0.58825%0.246SC*.Hα-helixtrans-64.8-43.1177.3-179.1-107.1000111.7L71 F72 S73 C77 G78 I79L71-Y75 PolarHBondContact O-N 3.29Å; F72-Y75 HydrophobicContact CE2-CD1 4.41Å; F72-Y75 WeakPolarHBondContact O-CB 3.21Å; F72-Y75 PolarHBondContact O-N 3.48Å; F72-Y75 VanDerWaalsContact O-N 3.1Å; S73-Y75 VanDerWaalsContact C-N 3.3Å; S73-Y75 PolarHBondContact O-N 2.98Å; Y75-C77 VanDerWaalsContact C-N 3.29Å; Y75-C77 PolarHBondContact O-N 2.89Å; Y75-G78 PolarHBondContact O-N 2.96Å; Y75-I79 HydrophobicContact CD1-CD1 3.85Å; Y75-I79 HydrophobicContact CE1-CD1 3.43Å; Y75-I79 VanDerWaalsContact CE1-CD1 3.43Å; Y75-I79 HydrophobicContact CE1-CG1 4.37Å; Y75-I79 PolarHBondContact O-N 3.31Å; Y75-I79 VanDerWaalsContact O-N 3.08Å
76T85.9Confident83.1Confident3 Ų349.5 Ų49.52%0.01823%0.233CC..Hα-helixtrans-66.1-32.2175.460.10000112.4F72 S73 I79 A80 W95 T99F72-T76 HydrophobicContact CD1-CG2 4.18Å; F72-T76 HydrophobicContact CE1-CG2 3.99Å; F72-T76 PolarHBondContact O-N 3.31Å; S73-T76 WeakPolarHBondContact CA-OG1 3.41Å; S73-T76 PolarHBondContact O-N 3.24Å; S73-T76 PolarHBondContact O-OG1 2.88Å; T76-I79 PolarHBondContact O-N 3.27Å; T76-A80 PolarHBondContact O-N 2.94Å; T76-W95 HydrophobicContact CG2-CE3 3.98Å; T76-W95 HydrophobicContact CG2-CZ3 3.87Å; T76-T99 PolarHBondContact OG1-OG1 3.16Å
77C86.9Confident83.2Confident2 Ų254 Ų541%0.01425%0.254CS..Hα-helixtrans-64.6-43.1173.2-167.50000111.3S73 S74 Y75 I79 A80 I81 T99 S175S73-C77 WeakPolarHBondContact O-CB 3.48Å; S73-C77 PolarHBondContact O-N 3.43Å; S74-C77 WeakPolarHBondContact O-CB 3.31Å; S74-C77 PolarHBondContact O-N 3.43Å; Y75-C77 VanDerWaalsContact C-N 3.29Å; Y75-C77 PolarHBondContact O-N 2.89Å; C77-I79 VanDerWaalsContact C-N 3.33Å; C77-I79 PolarHBondContact O-N 3.5Å; C77-A80 WeakPolarHBondContact O-CA 3.48Å; C77-A80 VanDerWaalsContact O-CB 3.3Å; C77-A80 WeakPolarHBondContact O-CB 3.42Å; C77-A80 PolarHBondContact O-N 2.9Å; C77-A80 VanDerWaalsContact O-N 3.07Å; C77-I81 PolarHBondContact O-N 3.3Å; C77-T99 HydrophobicContact CB-CG2 3.93Å; C77-T99 PolarHBondContact N-OG1 3.48Å; C77-S175 VanDerWaalsContact SG-CB 3.59Å; C77-S175 PolarHBondContact SG-OG 3.41Å
78G86.3Confident83.2Confident40 Ų4058.3 Ų58.341%0.41227%0.272SS..Hα-helixtrans-59.1-41.8173.600000112.8S74 Y75 A80 I81 Y82S74-G78 PolarHBondContact O-N 3.46Å; Y75-G78 PolarHBondContact O-N 2.96Å; G78-A80 VanDerWaalsContact C-N 3.32Å; G78-A80 PolarHBondContact O-N 3.03Å; G78-I81 PolarHBondContact O-N 3.48Å; G78-Y82 PolarHBondContact O-N 2.96Å
79I87.1Confident83.1Confident35 Ų3554.4 Ų54.418%0.17926%0.256CS..Hα-helixtrans-63.4-38.8173.5-66.7168.2000111.1Y75 T76 C77 I81 Y82 Y83 W95Y75-I79 HydrophobicContact CD1-CD1 3.85Å; Y75-I79 HydrophobicContact CE1-CD1 3.43Å; Y75-I79 VanDerWaalsContact CE1-CD1 3.43Å; Y75-I79 HydrophobicContact CE1-CG1 4.37Å; Y75-I79 PolarHBondContact O-N 3.31Å; Y75-I79 VanDerWaalsContact O-N 3.08Å; T76-I79 PolarHBondContact O-N 3.27Å; C77-I79 VanDerWaalsContact C-N 3.33Å; C77-I79 PolarHBondContact O-N 3.5Å; I79-I81 PolarHBondContact O-N 3.43Å; I79-Y82 WeakPolarHBondContact O-CB 3.32Å; I79-Y82 PolarHBondContact O-N 3.15Å; I79-Y83 HydrophobicContact CG2-CD2 3.66Å; I79-Y83 HydrophobicContact CG2-CE2 3.44Å; I79-Y83 VanDerWaalsContact CG2-CE2 3.44Å; I79-Y83 VanDerWaalsContact O-CD2 3.27Å; I79-Y83 WeakPolarHBondContact O-CD2 3.39Å; I79-Y83 PolarHBondContact O-N 2.89Å; I79-W95 HydrophobicContact CG2-CD2 4.1Å; I79-W95 HydrophobicContact CG2-CG 4.1Å
80A86.3Confident83.4Confident0 Ų061.4 Ų61.40%028%0.28CS..Hα-helixtrans-60.9-44.6176.300000111.6T76 C77 G78 Y82 Y83 M84 M92 W95 M96T76-A80 PolarHBondContact O-N 2.94Å; C77-A80 WeakPolarHBondContact O-CA 3.48Å; C77-A80 VanDerWaalsContact O-CB 3.3Å; C77-A80 WeakPolarHBondContact O-CB 3.42Å; C77-A80 PolarHBondContact O-N 2.9Å; C77-A80 VanDerWaalsContact O-N 3.07Å; G78-A80 VanDerWaalsContact C-N 3.32Å; G78-A80 PolarHBondContact O-N 3.03Å; A80-Y82 VanDerWaalsContact C-N 3.33Å; A80-Y82 PolarHBondContact O-N 3.43Å; A80-Y83 PolarHBondContact O-N 3.2Å; A80-M84 PolarHBondContact O-N 2.99Å; A80-M92 WeakPolarHBondContact O-CG 3.34Å; A80-W95 HydrophobicContact CB-CB 3.71Å; A80-M96 HydrophobicContact CB-CG 3.76Å; A80-M96 HydrophobicContact CB-SD 3.64Å
81I84.9Confident83.7Confident12 Ų1264.4 Ų64.46%0.06230%0.296CS..Hα-helixtrans-65.6-35.1174.7-64.6-55.1000112.1C77 G78 I79 M84 R85 L171 F172 S175C77-I81 PolarHBondContact O-N 3.3Å; G78-I81 PolarHBondContact O-N 3.48Å; I79-I81 PolarHBondContact O-N 3.43Å; I81-M84 HydrophobicContact CD1-CE 4.12Å; I81-M84 HydrophobicContact CD1-SD 3.99Å; I81-M84 HydrophobicContact CG2-CE 4.17Å; I81-M84 WeakPolarHBondContact O-CB 3.46Å; I81-M84 PolarHBondContact O-N 2.94Å; I81-R85 WeakPolarHBondContact O-CG 3.24Å; I81-R85 PolarHBondContact O-N 3.43Å; I81-L171 HydrophobicContact CD1-CB 4.4Å; I81-F172 HydrophobicContact CG2-CD2 4.04Å; I81-S175 VanDerWaalsContact CG1-CB 3.41Å; I81-S175 VanDerWaalsContact CG1-OG 3.29Å; I81-S175 WeakPolarHBondContact CG1-OG 3.3Å
82Y85.8Confident83.8Confident138 Ų13860.9 Ų60.954%0.54128%0.278SS..Hα-helixtrans-60.6-45.5172.7176.5-103.1000111.8G78 I79 A80 M84 R85 Q86G78-Y82 PolarHBondContact O-N 2.96Å; I79-Y82 WeakPolarHBondContact O-CB 3.32Å; I79-Y82 PolarHBondContact O-N 3.15Å; A80-Y82 VanDerWaalsContact C-N 3.33Å; A80-Y82 PolarHBondContact O-N 3.43Å; Y82-M84 VanDerWaalsContact C-N 3.34Å; Y82-R85 PolarHBondContact O-N 3.48Å; Y82-Q86 PolarHBondContact O-N 3.04Å; Y82-Q86 PolarHBondContact OH-NE2 3.18Å
83Y84Confident84.1Confident57 Ų5756.7 Ų56.722%0.22426%0.26CS..Hα-helixtrans-69.6-29.6174.7-75.6-62.5000113.6I79 A80 R85 Q86 E87 K88 L91 W95I79-Y83 HydrophobicContact CG2-CD2 3.66Å; I79-Y83 HydrophobicContact CG2-CE2 3.44Å; I79-Y83 VanDerWaalsContact CG2-CE2 3.44Å; I79-Y83 VanDerWaalsContact O-CD2 3.27Å; I79-Y83 WeakPolarHBondContact O-CD2 3.39Å; I79-Y83 PolarHBondContact O-N 2.89Å; A80-Y83 PolarHBondContact O-N 3.2Å; Y83-R85 VanDerWaalsContact C-N 3.34Å; Y83-Q86 CarbonylContact O-C 3.58Å; Y83-Q86 PolarHBondContact O-N 3.37Å; Y83-E87 PolarHBondContact O-N 2.92Å; Y83-K88 HydrophobicContact CD1-CB 4.23Å; Y83-K88 HydrophobicContact CD1-CD 4.04Å; Y83-K88 HydrophobicContact CE1-CD 4.37Å; Y83-K88 PolarHBondContact O-N 3.4Å; Y83-L91 HydrophobicContact CD1-CB 3.98Å; Y83-L91 HydrophobicContact CD1-CD1 3.79Å; Y83-L91 HydrophobicContact CD2-CB 4.11Å; Y83-L91 HydrophobicContact CE1-CB 4.38Å; Y83-L91 HydrophobicContact CE1-CD1 3.58Å; Y83-L91 HydrophobicContact CE2-CB 4.48Å; Y83-L91 HydrophobicContact CG-CB 3.83Å; Y83-L91 HydrophobicContact CG-CD1 4.47Å; Y83-W95 AromaticContact CD2-CD1 3.56Å; Y83-W95 AromaticContact CD2-NE1 3.8Å; Y83-W95 AromaticContact CE2-CD1 3.69Å; Y83-W95 AromaticContact CE2-NE1 3.4Å
84M79.7Confident84.4Confident0 Ų062.4 Ų62.40%029%0.286CS..Hα-helixtrans-60.4-44.2170.7-175-16875.600111A80 I81 Y82 Q86 E87 M92 L163 A168 L171 F172A80-M84 PolarHBondContact O-N 2.99Å; I81-M84 HydrophobicContact CD1-CE 4.12Å; I81-M84 HydrophobicContact CD1-SD 3.99Å; I81-M84 HydrophobicContact CG2-CE 4.17Å; I81-M84 WeakPolarHBondContact O-CB 3.46Å; I81-M84 PolarHBondContact O-N 2.94Å; Y82-M84 VanDerWaalsContact C-N 3.34Å; M84-Q86 PolarHBondContact O-N 3.36Å; M84-E87 PolarHBondContact O-N 2.9Å; M84-M92 HydrophobicContact CB-CG 3.9Å; M84-M92 HydrophobicContact CB-SD 3.66Å; M84-M92 HydrophobicContact CG-SD 3.7Å; M84-L163 HydrophobicContact CG-CD1 4.22Å; M84-A168 HydrophobicContact CE-CB 4.43Å; M84-A168 HydrophobicContact SD-CB 4.18Å; M84-L171 HydrophobicContact CG-CD1 4.07Å; M84-L171 HydrophobicContact SD-CB 3.45Å; M84-L171 WeakPolarHBondContact SD-CB 3.33Å; M84-L171 HydrophobicContact SD-CD1 3.59Å; M84-L171 VanDerWaalsContact SD-CD1 3.59Å; M84-L171 HydrophobicContact SD-CG 4.23Å; M84-F172 HydrophobicContact CE-CB 4.36Å
85R78.7Confident84.8Confident103 Ų10364.7 Ų64.739%0.38929%0.291SS..Hα-helixtrans-67-24.4177.2-69.5179.1-175.9-134.2-5.6113.2D9 I81 Y82 Y83 E87D9-R85 IonicContact OD2-NH2 3.96Å; I81-R85 WeakPolarHBondContact O-CG 3.24Å; I81-R85 PolarHBondContact O-N 3.43Å; Y82-R85 PolarHBondContact O-N 3.48Å; Y83-R85 VanDerWaalsContact C-N 3.34Å; R85-E87 VanDerWaalsContact C-N 3.28Å
86Q82.4Confident85.1Confident71 Ų7157.8 Ų57.833%0.33226%0.264SS..THydrogen-bonded Turntrans-85.65.5170.4-65.4-166.925.800113.6Y82 Y83 M84 K88Y82-Q86 PolarHBondContact O-N 3.04Å; Y82-Q86 PolarHBondContact OH-NE2 3.18Å; Y83-Q86 CarbonylContact O-C 3.58Å; Y83-Q86 PolarHBondContact O-N 3.37Å; M84-Q86 PolarHBondContact O-N 3.36Å; Q86-K88 HydrophobicContact CB-CD 4.32Å; Q86-K88 HydrophobicContact CB-CG 4.12Å; Q86-K88 PolarHBondContact O-N 3.28Å
87E78.6Confident85.3Confident120 Ų12061.8 Ų61.856%0.56129%0.285SS*.THydrogen-bonded Turntrans57.819.1-176.9-57.8178.7-174.700113.4I8 Y83 M84 R85 Q89I8-E87 HydrophobicContact CD1-CG 4.39Å; Y83-E87 PolarHBondContact O-N 2.92Å; M84-E87 PolarHBondContact O-N 2.9Å; R85-E87 VanDerWaalsContact C-N 3.28Å; E87-Q89 VanDerWaalsContact C-N 3.33Å; E87-Q89 PolarHBondContact O-N 3.32Å
88K82.1Confident85.6Confident99 Ų9964.1 Ų64.143%0.4330%0.297SS..  trans-85.275178.8-69.6-176-178.21600110.3Y83 Q86 K90 L91 M92Y83-K88 HydrophobicContact CD1-CB 4.23Å; Y83-K88 HydrophobicContact CD1-CD 4.04Å; Y83-K88 HydrophobicContact CE1-CD 4.37Å; Y83-K88 PolarHBondContact O-N 3.4Å; Q86-K88 HydrophobicContact CB-CD 4.32Å; Q86-K88 HydrophobicContact CB-CG 4.12Å; Q86-K88 PolarHBondContact O-N 3.28Å; K88-K90 VanDerWaalsContact C-N 3.34Å; K88-K90 PolarHBondContact O-N 2.84Å; K88-L91 HydrophobicContact CB-CB 4.44Å; K88-L91 HydrophobicContact CB-CD1 4.33Å; K88-L91 HydrophobicContact CD-CD1 3.95Å; K88-L91 PolarHBondContact O-N 2.87Å; K88-M92 PolarHBondContact O-N 3.25Å
89Q81Confident85.8Confident55 Ų5562.2 Ų62.226%0.25728%0.277SS..Hα-helixtrans-52.9-44.5-174.3-172.9-176.9-20.600113.7E87 L91 M92 M93 I158 L163E87-Q89 VanDerWaalsContact C-N 3.33Å; E87-Q89 PolarHBondContact O-N 3.32Å; Q89-L91 PolarHBondContact O-N 3.5Å; Q89-M92 HydrophobicContact CG-CE 4.5Å; Q89-M92 PolarHBondContact O-N 2.98Å; Q89-M93 HydrophobicContact CG-CE 4.01Å; Q89-M93 HydrophobicContact CG-CG 4.33Å; Q89-M93 HydrophobicContact CG-SD 4.15Å; Q89-M93 WeakPolarHBondContact O-CB 3.23Å; Q89-M93 VanDerWaalsContact O-CG 3.31Å; Q89-M93 WeakPolarHBondContact O-CG 3.43Å; Q89-M93 PolarHBondContact O-N 3.47Å; Q89-I158 HydrophobicContact CG-CG2 4.13Å; Q89-I158 PolarHBondContact NE2-O 3.04Å; Q89-L163 HydrophobicContact CB-CB 4.4Å; Q89-L163 HydrophobicContact CB-CD1 4.17Å; Q89-L163 HydrophobicContact CG-CB 4.28Å; Q89-L163 HydrophobicContact CG-CD1 4.39Å
90K85.6Confident86Confident178 Ų17861.2 Ų61.277%0.77427%0.272SS*.Hα-helixtrans-61.3-44.4-178.1-71.4-175.5179.3179.90112.7K88 F94K88-K90 VanDerWaalsContact C-N 3.34Å; K88-K90 PolarHBondContact O-N 2.84Å; K90-F94 WeakPolarHBondContact O-CB 3.48Å; K90-F94 PolarHBondContact O-N 3.33Å
91L88.2Confident86.2Confident70 Ų7066.1 Ų66.137%0.36630%0.298SS..Hα-helixtrans-71.5-42.7-180-70.4170.2000111Y83 K88 Q89 M93 F94 W95Y83-L91 HydrophobicContact CD1-CB 3.98Å; Y83-L91 HydrophobicContact CD1-CD1 3.79Å; Y83-L91 HydrophobicContact CD2-CB 4.11Å; Y83-L91 HydrophobicContact CE1-CB 4.38Å; Y83-L91 HydrophobicContact CE1-CD1 3.58Å; Y83-L91 HydrophobicContact CE2-CB 4.48Å; Y83-L91 HydrophobicContact CG-CB 3.83Å; Y83-L91 HydrophobicContact CG-CD1 4.47Å; K88-L91 HydrophobicContact CB-CB 4.44Å; K88-L91 HydrophobicContact CB-CD1 4.33Å; K88-L91 HydrophobicContact CD-CD1 3.95Å; K88-L91 PolarHBondContact O-N 2.87Å; Q89-L91 PolarHBondContact O-N 3.5Å; L91-M93 VanDerWaalsContact C-N 3.34Å; L91-M93 PolarHBondContact O-N 3.48Å; L91-F94 PolarHBondContact O-N 3.37Å; L91-W95 PolarHBondContact O-N 3.29Å
92M86.5Confident86.4Confident1 Ų168 Ų681%0.00531%0.308CS..Hα-helixtrans-56.4-47.9173.8177.4-152.379.600111.5A80 M84 K88 Q89 F94 W95 M96 I158 L163 L171A80-M92 WeakPolarHBondContact O-CG 3.34Å; M84-M92 HydrophobicContact CB-CG 3.9Å; M84-M92 HydrophobicContact CB-SD 3.66Å; M84-M92 HydrophobicContact CG-SD 3.7Å; K88-M92 PolarHBondContact O-N 3.25Å; Q89-M92 HydrophobicContact CG-CE 4.5Å; Q89-M92 PolarHBondContact O-N 2.98Å; M92-F94 PolarHBondContact O-N 2.99Å; M92-W95 PolarHBondContact O-N 3.35Å; M92-M96 HydrophobicContact CG-CG 4.5Å; M92-M96 WeakPolarHBondContact O-CB 3.39Å; M92-M96 WeakPolarHBondContact O-CG 3.4Å; M92-M96 PolarHBondContact O-N 3.21Å; M92-I158 HydrophobicContact CE-CD1 4.3Å; M92-I158 HydrophobicContact CE-CG2 4.07Å; M92-L163 HydrophobicContact CE-CD1 4.09Å; M92-L163 HydrophobicContact SD-CD1 3.53Å; M92-L163 VanDerWaalsContact SD-CD1 3.53Å; M92-L171 HydrophobicContact CE-CD1 3.78Å; M92-L171 HydrophobicContact SD-CD1 3.35Å; M92-L171 WeakPolarHBondContact SD-CD1 3.18Å
93M86.7Confident86.6Confident39 Ų3961.4 Ų61.419%0.19228%0.282CS..Hα-helixtrans-61.6-43.6177.5-72.3-172.9-54.400111.7Q89 L91 W95 M96 I97Q89-M93 HydrophobicContact CG-CE 4.01Å; Q89-M93 HydrophobicContact CG-CG 4.33Å; Q89-M93 HydrophobicContact CG-SD 4.15Å; Q89-M93 WeakPolarHBondContact O-CB 3.23Å; Q89-M93 VanDerWaalsContact O-CG 3.31Å; Q89-M93 WeakPolarHBondContact O-CG 3.43Å; Q89-M93 PolarHBondContact O-N 3.47Å; L91-M93 VanDerWaalsContact C-N 3.34Å; L91-M93 PolarHBondContact O-N 3.48Å; M93-W95 PolarHBondContact O-N 3.02Å; M93-M96 PolarHBondContact O-N 3Å; M93-I97 WeakPolarHBondContact O-CB 3.43Å; M93-I97 WeakPolarHBondContact O-CD1 3.41Å; M93-I97 WeakPolarHBondContact O-CG1 3.46Å; M93-I97 PolarHBondContact O-N 3.06Å
94F90.6Very high86.9Confident120 Ų12063.4 Ų63.453%0.52630%0.296SS..Hα-helixtrans-57.5-49.6177.7177.8-101.6000112K90 L91 M92 I97 I98K90-F94 WeakPolarHBondContact O-CB 3.48Å; K90-F94 PolarHBondContact O-N 3.33Å; L91-F94 PolarHBondContact O-N 3.37Å; M92-F94 PolarHBondContact O-N 2.99Å; F94-I97 PolarHBondContact O-N 3.23Å; F94-I98 HydrophobicContact CD1-CD1 3.83Å; F94-I98 HydrophobicContact CE1-CD1 3.34Å; F94-I98 HydrophobicContact CE2-CD1 4.22Å; F94-I98 HydrophobicContact CG-CD1 4.46Å; F94-I98 HydrophobicContact CZ-CD1 3.57Å; F94-I98 WeakPolarHBondContact O-CG1 3.34Å; F94-I98 PolarHBondContact O-N 3.35Å; F94-I98 VanDerWaalsContact O-N 3.11Å
95W90.6Very high87.4Confident66 Ų6666.7 Ų66.725%0.2532%0.316CS..Hα-helixtrans-68.6-37.8179.3-71.2111.8000113.1T76 I79 A80 Y83 L91 M92 M93 I97 I98 T99T76-W95 HydrophobicContact CG2-CE3 3.98Å; T76-W95 HydrophobicContact CG2-CZ3 3.87Å; I79-W95 HydrophobicContact CG2-CD2 4.1Å; I79-W95 HydrophobicContact CG2-CG 4.1Å; A80-W95 HydrophobicContact CB-CB 3.71Å; Y83-W95 AromaticContact CD2-CD1 3.56Å; Y83-W95 AromaticContact CD2-NE1 3.8Å; Y83-W95 AromaticContact CE2-CD1 3.69Å; Y83-W95 AromaticContact CE2-NE1 3.4Å; L91-W95 PolarHBondContact O-N 3.29Å; M92-W95 PolarHBondContact O-N 3.35Å; M93-W95 PolarHBondContact O-N 3.02Å; W95-I97 VanDerWaalsContact C-N 3.34Å; W95-I97 PolarHBondContact O-N 3.18Å; W95-I98 HydrophobicContact CE3-CD1 4.01Å; W95-I98 HydrophobicContact CZ3-CD1 4.24Å; W95-I98 PolarHBondContact O-N 3.01Å; W95-T99 PolarHBondContact O-N 2.97Å; W95-T99 PolarHBondContact O-OG1 3.41Å
96M89.2Confident87.8Confident4 Ų462.1 Ų62.12%0.0230%0.298CS..Hα-helixtrans-63.2-39173.9-76.3-56.2-63.200112.5A80 M92 M93 T99 L100 L155A80-M96 HydrophobicContact CB-CG 3.76Å; A80-M96 HydrophobicContact CB-SD 3.64Å; M92-M96 HydrophobicContact CG-CG 4.5Å; M92-M96 WeakPolarHBondContact O-CB 3.39Å; M92-M96 WeakPolarHBondContact O-CG 3.4Å; M92-M96 PolarHBondContact O-N 3.21Å; M93-M96 PolarHBondContact O-N 3Å; M96-T99 PolarHBondContact O-N 2.87Å; M96-L100 WeakPolarHBondContact O-CG 3.38Å; M96-L100 PolarHBondContact O-N 3.24Å; M96-L155 HydrophobicContact CB-CD1 4.07Å; M96-L155 HydrophobicContact CB-CD2 3.75Å; M96-L155 HydrophobicContact CB-CG 4.46Å; M96-L155 HydrophobicContact CG-CD2 4.13Å
97I91.2Very high88.1Confident88 Ų8859.4 Ų59.445%0.45129%0.287SS..Hα-helixtrans-64.9-42176.5-70.1164.9000110.2M93 F94 W95 L100 L101 L155M93-I97 WeakPolarHBondContact O-CB 3.43Å; M93-I97 WeakPolarHBondContact O-CD1 3.41Å; M93-I97 WeakPolarHBondContact O-CG1 3.46Å; M93-I97 PolarHBondContact O-N 3.06Å; F94-I97 PolarHBondContact O-N 3.23Å; W95-I97 VanDerWaalsContact C-N 3.34Å; W95-I97 PolarHBondContact O-N 3.18Å; I97-L100 PolarHBondContact O-N 3.35Å; I97-L101 HydrophobicContact CG2-CD1 4.1Å; I97-L101 HydrophobicContact CG2-CG 4.34Å; I97-L101 WeakPolarHBondContact O-CG 3.47Å; I97-L101 PolarHBondContact O-N 3.11Å; I97-L155 HydrophobicContact CG1-CD1 4.05Å
98I91.6Very high88.6Confident50 Ų5055.5 Ų55.526%0.25628%0.279SS..Hα-helixtrans-59.2-48.1174.8-69.6168.9000110.7F94 W95 L100 L101 L102F94-I98 HydrophobicContact CD1-CD1 3.83Å; F94-I98 HydrophobicContact CE1-CD1 3.34Å; F94-I98 HydrophobicContact CE2-CD1 4.22Å; F94-I98 HydrophobicContact CG-CD1 4.46Å; F94-I98 HydrophobicContact CZ-CD1 3.57Å; F94-I98 WeakPolarHBondContact O-CG1 3.34Å; F94-I98 PolarHBondContact O-N 3.35Å; F94-I98 VanDerWaalsContact O-N 3.11Å; W95-I98 HydrophobicContact CE3-CD1 4.01Å; W95-I98 HydrophobicContact CZ3-CD1 4.24Å; W95-I98 PolarHBondContact O-N 3.01Å; I98-L100 VanDerWaalsContact C-N 3.3Å; I98-L100 PolarHBondContact O-N 3.38Å; I98-L101 PolarHBondContact O-N 3Å; I98-L102 HydrophobicContact CG2-CD1 4.11Å; I98-L102 WeakPolarHBondContact O-CG 3.37Å; I98-L102 PolarHBondContact O-N 2.86Å
99T91.5Very high88.8Confident1 Ų154.2 Ų54.21%0.00627%0.273CS..Hα-helixtrans-57.1-44.3177-74.10000111.7S73 T76 C77 W95 M96 L102 G103 W178S73-T99 PolarHBondContact O-OG1 2.84Å; S73-T99 VanDerWaalsContact O-OG1 3.12Å; S73-T99 VanDerWaalsContact OG-CA 3.24Å; S73-T99 WeakPolarHBondContact OG-CA 3.29Å; S73-T99 WeakPolarHBondContact OG-CG2 3.37Å; S73-T99 PolarHBondContact OG-O 2.92Å; S73-T99 VanDerWaalsContact OG-O 3.08Å; T76-T99 PolarHBondContact OG1-OG1 3.16Å; C77-T99 HydrophobicContact CB-CG2 3.93Å; C77-T99 PolarHBondContact N-OG1 3.48Å; W95-T99 PolarHBondContact O-N 2.97Å; W95-T99 PolarHBondContact O-OG1 3.41Å; M96-T99 PolarHBondContact O-N 2.87Å; T99-L102 PolarHBondContact O-N 2.83Å; T99-G103 PolarHBondContact O-N 3.36Å; T99-W178 HydrophobicContact CG2-CD2 4.05Å; T99-W178 HydrophobicContact CG2-CG 4.27Å; T99-W178 HydrophobicContact CG2-CZ2 4.06Å
100L91.1Very high89Confident14 Ų1452 Ų527%0.07326%0.263CS..Hα-helixtrans-68.6-37.3178.9-74.5170.2000113.4M96 I97 I98 L102 G103 L104 I148 A151 I152 L155 W178M96-L100 WeakPolarHBondContact O-CG 3.38Å; M96-L100 PolarHBondContact O-N 3.24Å; I97-L100 PolarHBondContact O-N 3.35Å; I98-L100 VanDerWaalsContact C-N 3.3Å; I98-L100 PolarHBondContact O-N 3.38Å; L100-L102 VanDerWaalsContact C-N 3.34Å; L100-G103 PolarHBondContact O-N 3.15Å; L100-L104 WeakPolarHBondContact O-CB 3.47Å; L100-L104 PolarHBondContact O-N 3.32Å; L100-I148 HydrophobicContact CD2-CB 4.46Å; L100-I148 HydrophobicContact CD2-CG1 4.34Å; L100-I148 HydrophobicContact CD2-CG2 4.29Å; L100-A151 HydrophobicContact CD1-CB 4.12Å; L100-A151 HydrophobicContact CD2-CB 3.5Å; L100-A151 HydrophobicContact CG-CB 4.31Å; L100-I152 HydrophobicContact CD1-CG1 4.03Å; L100-L155 HydrophobicContact CD1-CD1 3.32Å; L100-L155 HydrophobicContact CD1-CG 4.33Å; L100-W178 HydrophobicContact CD2-CH2 4.04Å; L100-W178 HydrophobicContact CD2-CZ3 3.75Å
101L90.8Very high89.1Confident103 Ų10348.7 Ų48.754%0.53925%0.253SS..Hα-helixtrans-63.9-42.6175.3-74.9176.3000111.1I97 I98 G103 L104 V105I97-L101 HydrophobicContact CG2-CD1 4.1Å; I97-L101 HydrophobicContact CG2-CG 4.34Å; I97-L101 WeakPolarHBondContact O-CG 3.47Å; I97-L101 PolarHBondContact O-N 3.11Å; I98-L101 PolarHBondContact O-N 3Å; L101-G103 VanDerWaalsContact C-N 3.32Å; L101-G103 PolarHBondContact O-N 3.13Å; L101-L104 PolarHBondContact O-N 3.44Å; L101-V105 WeakPolarHBondContact O-CB 3.04Å; L101-V105 VanDerWaalsContact O-CG2 3.24Å; L101-V105 WeakPolarHBondContact O-CG2 3.28Å; L101-V105 PolarHBondContact O-N 3.07Å
102L89.7Confident89Confident51 Ų5151.3 Ų51.327%0.26726%0.259SS..Hα-helixtrans-60.9-42.3174.8-70.3169.6000111.6A69 I98 T99 L100 F106A69-L102 HydrophobicContact CB-CD2 4.42Å; I98-L102 HydrophobicContact CG2-CD1 4.11Å; I98-L102 WeakPolarHBondContact O-CG 3.37Å; I98-L102 PolarHBondContact O-N 2.86Å; T99-L102 PolarHBondContact O-N 2.83Å; L100-L102 VanDerWaalsContact C-N 3.34Å; L102-F106 WeakPolarHBondContact O-CB 3.38Å; L102-F106 PolarHBondContact O-N 3.43Å
103G89.4Confident88.7Confident0 Ų052.1 Ų52.10%026%0.262CS..Hα-helixtrans-67.2-36.8175.100000114.1T99 L100 L101 F106 V107T99-G103 PolarHBondContact O-N 3.36Å; L100-G103 PolarHBondContact O-N 3.15Å; L101-G103 VanDerWaalsContact C-N 3.32Å; L101-G103 PolarHBondContact O-N 3.13Å; G103-F106 WeakPolarHBondContact O-CB 3.23Å; G103-F106 PolarHBondContact O-N 3.37Å; G103-V107 WeakPolarHBondContact O-CG2 3.38Å; G103-V107 PolarHBondContact O-N 2.74Å
104L90.6Very high88.5Confident99 Ų9953.8 Ų53.852%0.51827%0.269SS..Hα-helixtrans-67-44.3176.4-168.7163.5000110.7L100 L101 F106 V107 G108L100-L104 WeakPolarHBondContact O-CB 3.47Å; L100-L104 PolarHBondContact O-N 3.32Å; L101-L104 PolarHBondContact O-N 3.44Å; L104-F106 VanDerWaalsContact C-N 3.26Å; L104-F106 PolarHBondContact O-N 2.96Å; L104-V107 PolarHBondContact O-N 3.37Å; L104-G108 PolarHBondContact O-N 3.24Å
105V89.1Confident88.1Confident68 Ų6850.8 Ų50.841%0.41227%0.266SS..Hα-helixtrans-55.8-46.9173.8169.30000109.9M66 L101 G108 F109M66-V105 HydrophobicContact SD-CG1 4.24Å; L101-V105 WeakPolarHBondContact O-CB 3.04Å; L101-V105 VanDerWaalsContact O-CG2 3.24Å; L101-V105 WeakPolarHBondContact O-CG2 3.28Å; L101-V105 PolarHBondContact O-N 3.07Å; V105-G108 PolarHBondContact O-N 3.32Å; V105-F109 HydrophobicContact CG1-CD2 3.64Å; V105-F109 HydrophobicContact CG1-CE2 3.53Å; V105-F109 WeakPolarHBondContact O-CD2 3.42Å; V105-F109 PolarHBondContact O-N 2.98Å
106F87.4Confident87.6Confident7 Ų750.1 Ų50.13%0.03127%0.266CS..Hα-helixtrans-56.8-52.7176.3169.3-96.9000113.3M66 L70 L102 G103 L104 G108 F109 E110 W185M66-F106 HydrophobicContact CB-CD2 4.22Å; L70-F106 HydrophobicContact CD1-CB 3.58Å; L70-F106 HydrophobicContact CD1-CD1 3.39Å; L70-F106 HydrophobicContact CD1-CD2 3.43Å; L70-F106 VanDerWaalsContact CD1-CD2 3.43Å; L70-F106 HydrophobicContact CD1-CE1 3.92Å; L70-F106 HydrophobicContact CD1-CE2 3.94Å; L70-F106 HydrophobicContact CD1-CG 3.13Å; L70-F106 HydrophobicContact CD1-CZ 4.16Å; L102-F106 WeakPolarHBondContact O-CB 3.38Å; L102-F106 PolarHBondContact O-N 3.43Å; G103-F106 WeakPolarHBondContact O-CB 3.23Å; G103-F106 PolarHBondContact O-N 3.37Å; L104-F106 VanDerWaalsContact C-N 3.26Å; L104-F106 PolarHBondContact O-N 2.96Å; F106-G108 PolarHBondContact O-N 3.39Å; F106-F109 PolarHBondContact O-N 3.02Å; F106-F109 VanDerWaalsContact O-N 3.1Å; F106-E110 PolarHBondContact O-N 3.26Å; F106-W185 HydrophobicContact CE1-CE3 4.41Å; F106-W185 HydrophobicContact CE1-CZ3 4.49Å; F106-W185 AromaticContact CE2-CD2 3.77Å; F106-W185 HydrophobicContact CE2-CD2 3.77Å; F106-W185 AromaticContact CE2-CE2 3.33Å; F106-W185 HydrophobicContact CE2-CE3 4.15Å; F106-W185 HydrophobicContact CE2-CG 4.42Å; F106-W185 AromaticContact CE2-CH2 3.69Å; F106-W185 HydrophobicContact CE2-CH2 3.69Å; F106-W185 AromaticContact CE2-CZ2 3.32Å; F106-W185 HydrophobicContact CE2-CZ2 3.32Å; F106-W185 HydrophobicContact CE2-CZ3 4.1Å; F106-W185 AromaticContact CE2-NE1 3.8Å; F106-W185 AromaticContact CZ-CD2 3.47Å; F106-W185 HydrophobicContact CZ-CD2 3.47Å; F106-W185 VanDerWaalsContact CZ-CD2 3.47Å; F106-W185 AromaticContact CZ-CE2 3.54Å; F106-W185 AromaticContact CZ-CE3 3.45Å; F106-W185 HydrophobicContact CZ-CE3 3.45Å; F106-W185 VanDerWaalsContact CZ-CE3 3.45Å; F106-W185 HydrophobicContact CZ-CG 4.22Å; F106-W185 AromaticContact CZ-CH2 3.5Å; F106-W185 HydrophobicContact CZ-CH2 3.5Å; F106-W185 AromaticContact CZ-CZ2 3.59Å; F106-W185 HydrophobicContact CZ-CZ2 3.59Å; F106-W185 AromaticContact CZ-CZ3 3.45Å; F106-W185 HydrophobicContact CZ-CZ3 3.45Å; F106-W185 VanDerWaalsContact CZ-CZ3 3.45Å
107V89.1Confident86.9Confident14 Ų1450 Ų509%0.08527%0.265CS..Hα-helixtrans-60.6-37.2177.7171.70000111.2G103 L104 F109 E110 I111 V144 I148G103-V107 WeakPolarHBondContact O-CG2 3.38Å; G103-V107 PolarHBondContact O-N 2.74Å; L104-V107 PolarHBondContact O-N 3.37Å; V107-F109 VanDerWaalsContact C-N 3.35Å; V107-F109 PolarHBondContact O-N 3.03Å; V107-E110 PolarHBondContact O-N 3.49Å; V107-I111 HydrophobicContact CG1-CD1 3.82Å; V107-I111 HydrophobicContact CG1-CG1 4.41Å; V107-I111 WeakPolarHBondContact O-CD1 3.43Å; V107-I111 VanDerWaalsContact O-CG1 3.24Å; V107-I111 WeakPolarHBondContact O-CG1 3.35Å; V107-I111 PolarHBondContact O-N 2.9Å; V107-V144 HydrophobicContact CG2-CB 4.11Å; V107-V144 HydrophobicContact CG2-CG1 3.53Å; V107-I148 HydrophobicContact CG2-CD1 3.87Å
108G89Confident86.2Confident39 Ų3947.8 Ų47.840%0.40226%0.26SS..Hα-helixtrans-61.5-41.6175.400000112.8L104 V105 F106 Y112L104-G108 PolarHBondContact O-N 3.24Å; V105-G108 PolarHBondContact O-N 3.32Å; F106-G108 PolarHBondContact O-N 3.39Å; G108-Y112 PolarHBondContact O-N 3.23Å
109F86.2Confident85.3Confident71 Ų7149.8 Ų49.831%0.31128%0.278SS..Hα-helixtrans-71.1-38.6175.5-81.3-69.9000112.8L62 M66 V105 F106 V107 I111 Y112 E113L62-F109 HydrophobicContact CD1-CD1 3.98Å; L62-F109 HydrophobicContact CD1-CE1 3.88Å; L62-F109 HydrophobicContact CD2-CB 4.25Å; L62-F109 HydrophobicContact CD2-CD1 3.75Å; L62-F109 HydrophobicContact CD2-CE1 4.4Å; L62-F109 HydrophobicContact CD2-CG 4.18Å; L62-F109 HydrophobicContact CG-CD1 4.26Å; L62-F109 HydrophobicContact CG-CE1 4.44Å; M66-F109 HydrophobicContact CE-CD1 4.08Å; M66-F109 HydrophobicContact CE-CD2 3.26Å; M66-F109 HydrophobicContact CE-CE1 3.95Å; M66-F109 HydrophobicContact CE-CE2 3.11Å; M66-F109 HydrophobicContact CE-CG 3.77Å; M66-F109 HydrophobicContact CE-CZ 3.48Å; M66-F109 VanDerWaalsContact CE-CZ 3.48Å; M66-F109 HydrophobicContact CG-CB 4.33Å; M66-F109 HydrophobicContact CG-CD2 4.2Å; M66-F109 HydrophobicContact CG-CG 4.33Å; M66-F109 HydrophobicContact SD-CD2 3.48Å; M66-F109 WeakPolarHBondContact SD-CD2 3.38Å; M66-F109 HydrophobicContact SD-CE2 3.8Å; M66-F109 HydrophobicContact SD-CG 4.17Å; V105-F109 HydrophobicContact CG1-CD2 3.64Å; V105-F109 HydrophobicContact CG1-CE2 3.53Å; V105-F109 WeakPolarHBondContact O-CD2 3.42Å; V105-F109 PolarHBondContact O-N 2.98Å; F106-F109 PolarHBondContact O-N 3.02Å; F106-F109 VanDerWaalsContact O-N 3.1Å; V107-F109 VanDerWaalsContact C-N 3.35Å; V107-F109 PolarHBondContact O-N 3.03Å; F109-I111 VanDerWaalsContact C-N 3.32Å; F109-I111 PolarHBondContact O-N 2.96Å; F109-Y112 WeakPolarHBondContact O-CB 3.45Å; F109-Y112 PolarHBondContact O-N 3.18Å; F109-E113 WeakPolarHBondContact O-CB 3.35Å; F109-E113 PolarHBondContact O-N 2.86Å
110E85.1Confident84.3Confident10 Ų1052.7 Ų52.75%0.04729%0.292CS..Hα-helixtrans-60-43174.2-174.5-177-168.200111.2F106 V107 E113 F114 L137 G141F106-E110 PolarHBondContact O-N 3.26Å; V107-E110 PolarHBondContact O-N 3.49Å; E110-E113 PolarHBondContact O-N 3.34Å; E110-F114 WeakPolarHBondContact O-CB 3.21Å; E110-F114 PolarHBondContact O-N 3.18Å; E110-L137 HydrophobicContact CG-CD1 4.2Å; E110-L137 HydrophobicContact CG-CG 4.24Å; E110-L137 WeakPolarHBondContact OE1-CD1 3.32Å; E110-L137 WeakPolarHBondContact OE1-CG 3.4Å; E110-L137 VanDerWaalsContact OE1-O 3.06Å; E110-G141 WeakPolarHBondContact OE1-CA 3.15Å; E110-G141 PolarHBondContact OE1-N 3.3Å; E110-G141 WeakPolarHBondContact OE2-CA 3.48Å
111I86.6Confident83.2Confident108 Ų10853.4 Ų53.455%0.55430%0.302SS*.Hα-helixtrans-65.2-40.2175.4-67.2165.6000111.2V107 F109 F114 A115V107-I111 HydrophobicContact CG1-CD1 3.82Å; V107-I111 HydrophobicContact CG1-CG1 4.41Å; V107-I111 WeakPolarHBondContact O-CD1 3.43Å; V107-I111 VanDerWaalsContact O-CG1 3.24Å; V107-I111 WeakPolarHBondContact O-CG1 3.35Å; V107-I111 PolarHBondContact O-N 2.9Å; F109-I111 VanDerWaalsContact C-N 3.32Å; F109-I111 PolarHBondContact O-N 2.96Å; I111-F114 PolarHBondContact O-N 2.82Å; I111-A115 WeakPolarHBondContact O-CB 3.36Å; I111-A115 PolarHBondContact O-N 2.93Å
112Y86.3Confident82Confident125 Ų12548.5 Ų48.549%0.4928%0.277SS..Hα-helixtrans-61.1-46.4175.9172.2-94.8000111.3G108 F109 A115 H116G108-Y112 PolarHBondContact O-N 3.23Å; F109-Y112 WeakPolarHBondContact O-CB 3.45Å; F109-Y112 PolarHBondContact O-N 3.18Å; Y112-A115 PolarHBondContact O-N 3.31Å; Y112-H116 WeakPolarHBondContact O-CB 3.41Å; Y112-H116 PolarHBondContact O-N 2.86Å
113E80.8Confident80.8Confident17 Ų1749.3 Ų49.38%0.07928%0.282CS..Hα-helixtrans-62-43.6176.7178.8174.6-152.500111.3F109 E110 A115 H116 Y117 Y193F109-E113 WeakPolarHBondContact O-CB 3.35Å; F109-E113 PolarHBondContact O-N 2.86Å; E110-E113 PolarHBondContact O-N 3.34Å; E113-A115 VanDerWaalsContact C-N 3.32Å; E113-A115 PolarHBondContact O-N 2.99Å; E113-H116 WeakPolarHBondContact O-CB 3.15Å; E113-H116 PolarHBondContact O-N 3.42Å; E113-Y117 HydrophobicContact CG-CD2 3.92Å; E113-Y117 HydrophobicContact CG-CE1 4.46Å; E113-Y117 HydrophobicContact CG-CE2 3.24Å; E113-Y117 WeakPolarHBondContact O-CD2 3.43Å; E113-Y117 PolarHBondContact O-N 2.74Å; E113-Y117 PolarHBondContact OE1-OH 2.92Å; E113-Y193 WeakPolarHBondContact OE1-CE1 3.24Å; E113-Y193 PolarHBondContact OE1-OH 3.46Å; E113-Y193 PolarHBondContact OE2-OH 3.26Å; E113-Y193 VanDerWaalsContact OE2-OH 3.12Å
114F82.1Confident79.6Confident75 Ų7551.9 Ų51.933%0.32930%0.298SS..Hα-helixtrans-59.9-41.9175-158.2-77.2000112.2E110 I111 A118 F134E110-F114 WeakPolarHBondContact O-CB 3.21Å; E110-F114 PolarHBondContact O-N 3.18Å; I111-F114 PolarHBondContact O-N 2.82Å; F114-A118 WeakPolarHBondContact O-CB 3.37Å; F114-A118 PolarHBondContact O-N 3.31Å; F114-F134 HydrophobicContact CD1-CD1 4.48Å; F114-F134 HydrophobicContact CD1-CE1 4.16Å; F114-F134 AromaticContact CD2-CD1 3.62Å; F114-F134 HydrophobicContact CD2-CD1 3.62Å; F114-F134 AromaticContact CD2-CE1 3.81Å; F114-F134 HydrophobicContact CD2-CE1 3.81Å; F114-F134 HydrophobicContact CE1-CD1 4.04Å; F114-F134 HydrophobicContact CE1-CE1 4.02Å; F114-F134 HydrophobicContact CE2-CB 4.24Å; F114-F134 AromaticContact CE2-CD1 3.13Å; F114-F134 HydrophobicContact CE2-CD1 3.13Å; F114-F134 AromaticContact CE2-CE1 3.73Å; F114-F134 HydrophobicContact CE2-CE1 3.73Å; F114-F134 HydrophobicContact CE2-CG 4.08Å; F114-F134 HydrophobicContact CG-CD1 4.29Å; F114-F134 HydrophobicContact CG-CE1 4.05Å; F114-F134 HydrophobicContact CZ-CB 4.29Å; F114-F134 AromaticContact CZ-CD1 3.34Å; F114-F134 HydrophobicContact CZ-CD1 3.34Å; F114-F134 AromaticContact CZ-CE1 3.79Å; F114-F134 HydrophobicContact CZ-CE1 3.79Å; F114-F134 HydrophobicContact CZ-CG 4.08Å
115A82.2Confident78.4Confident57 Ų5753.2 Ų53.247%0.47131%0.311SS..Hα-helixtrans-68.8-36.7176.500000112.1I111 Y112 E113 A118 S119I111-A115 WeakPolarHBondContact O-CB 3.36Å; I111-A115 PolarHBondContact O-N 2.93Å; Y112-A115 PolarHBondContact O-N 3.31Å; E113-A115 VanDerWaalsContact C-N 3.32Å; E113-A115 PolarHBondContact O-N 2.99Å; A115-A118 PolarHBondContact O-N 3.38Å; A115-S119 WeakPolarHBondContact O-CB 3.37Å; A115-S119 PolarHBondContact O-N 3.1Å
116H80.5Confident77.5Confident52 Ų5252.5 Ų52.524%0.24130%0.304CS..Hα-helixtrans-62.7-50.7175.2-169.360.7000110.7Y112 E113 A118 S119 E120Y112-H116 WeakPolarHBondContact O-CB 3.41Å; Y112-H116 PolarHBondContact O-N 2.86Å; E113-H116 WeakPolarHBondContact O-CB 3.15Å; E113-H116 PolarHBondContact O-N 3.42Å; H116-A118 VanDerWaalsContact C-N 3.33Å; H116-A118 PolarHBondContact O-N 2.9Å; H116-S119 WeakPolarHBondContact O-CB 3.37Å; H116-S119 PolarHBondContact O-N 3Å; H116-S119 PolarHBondContact O-OG 3.49Å; H116-E120 IonicContact CD2-OE1 3.21Å; H116-E120 IonicContact CD2-OE2 4Å; H116-E120 IonicContact CE1-OE1 3.48Å; H116-E120 IonicContact NE2-OE1 3.58Å; H116-E120 PolarHBondContact NE2-OE1 2.95Å; H116-E120 IonicContact NE2-OE2 3.96Å; H116-E120 WeakPolarHBondContact O-CG 3.45Å; H116-E120 PolarHBondContact O-N 3.14Å
117Y75.2Confident76.6Confident0 Ų053 Ų530%031%0.311CS..Hα-helixtrans-58.6-42.6175.4-65.4-33.8000112.8L57 F58 E113 S119 E120 G121 V122 F133 F134L57-Y117 HydrophobicContact CB-CD1 4.35Å; L57-Y117 HydrophobicContact CB-CE1 3.95Å; L57-Y117 WeakPolarHBondContact O-CE1 3.35Å; F58-Y117 AromaticContact CD1-CZ 4Å; F58-Y117 WeakPolarHBondContact CD1-OH 3.36Å; F58-Y117 AromaticContact CE1-CZ 3.97Å; F58-Y117 WeakPolarHBondContact CE1-OH 3Å; E113-Y117 HydrophobicContact CG-CD2 3.92Å; E113-Y117 HydrophobicContact CG-CE1 4.46Å; E113-Y117 HydrophobicContact CG-CE2 3.24Å; E113-Y117 WeakPolarHBondContact O-CD2 3.43Å; E113-Y117 PolarHBondContact O-N 2.74Å; E113-Y117 PolarHBondContact OE1-OH 2.92Å; Y117-S119 VanDerWaalsContact C-N 3.29Å; Y117-S119 PolarHBondContact O-N 3.18Å; Y117-E120 PolarHBondContact O-N 3.1Å; Y117-G121 PolarHBondContact O-N 3.31Å; Y117-V122 WeakPolarHBondContact O-CA 3.3Å; Y117-V122 VanDerWaalsContact O-CB 3.29Å; Y117-V122 WeakPolarHBondContact O-CB 3.49Å; Y117-V122 PolarHBondContact O-N 2.94Å; Y117-F133 HydrophobicContact CD2-CE1 4.27Å; Y117-F133 HydrophobicContact CE2-CE1 4.14Å; Y117-F133 HydrophobicContact CE2-CZ 4.29Å; Y117-F134 HydrophobicContact CD2-CE1 4.47Å
118A75.2Confident76Confident43 Ų4355.4 Ų55.436%0.35533%0.329SS..Hα-helixtrans-61.4-38.3175.300000112.2F114 A115 H116 G121F114-A118 WeakPolarHBondContact O-CB 3.37Å; F114-A118 PolarHBondContact O-N 3.31Å; A115-A118 PolarHBondContact O-N 3.38Å; H116-A118 VanDerWaalsContact C-N 3.33Å; H116-A118 PolarHBondContact O-N 2.9Å; A118-G121 PolarHBondContact O-N 2.87Å
119S73.4Confident75.4Confident91 Ų9154 Ų5464%0.63631%0.311SS*.Hα-helixtrans-69.1-30.9178.877.30000113.4A115 H116 Y117 G121A115-S119 WeakPolarHBondContact O-CB 3.37Å; A115-S119 PolarHBondContact O-N 3.1Å; H116-S119 WeakPolarHBondContact O-CB 3.37Å; H116-S119 PolarHBondContact O-N 3Å; H116-S119 PolarHBondContact O-OG 3.49Å; Y117-S119 VanDerWaalsContact C-N 3.29Å; Y117-S119 PolarHBondContact O-N 3.18Å; S119-G121 PolarHBondContact O-N 3.45Å
120E70Confident75Confident63 Ų6350.8 Ų50.829%0.29430%0.297SS..THydrogen-bonded Turntrans-79.62.9175.5-64.9-177.4143.400113.1K52 L57 H116 Y117 V122K52-E120 PolarHBondContact NZ-O 3.06Å; L57-E120 VanDerWaalsContact CD1-OE2 3.3Å; L57-E120 WeakPolarHBondContact CD1-OE2 3.4Å; L57-E120 VanDerWaalsContact CD2-OE1 3.24Å; L57-E120 WeakPolarHBondContact CD2-OE1 3.41Å; L57-E120 WeakPolarHBondContact CD2-OE2 3.43Å; L57-E120 WeakPolarHBondContact CG-OE2 3.44Å; H116-E120 IonicContact CD2-OE1 3.21Å; H116-E120 IonicContact CD2-OE2 4Å; H116-E120 IonicContact CE1-OE1 3.48Å; H116-E120 IonicContact NE2-OE1 3.58Å; H116-E120 PolarHBondContact NE2-OE1 2.95Å; H116-E120 IonicContact NE2-OE2 3.96Å; H116-E120 WeakPolarHBondContact O-CG 3.45Å; H116-E120 PolarHBondContact O-N 3.14Å; Y117-E120 PolarHBondContact O-N 3.1Å; E120-V122 VanDerWaalsContact C-N 3.31Å
121G67.9Low74.9Confident28 Ų2852.6 Ų52.629%0.28931%0.311SS..THydrogen-bonded Turntrans80.112.8179.100000113.4Y117 A118 S119 N123 I126Y117-G121 PolarHBondContact O-N 3.31Å; A118-G121 PolarHBondContact O-N 2.87Å; S119-G121 PolarHBondContact O-N 3.45Å; G121-N123 PolarHBondContact O-N 3.24Å; G121-N123 PolarHBondContact O-ND2 2.97Å; G121-I126 WeakPolarHBondContact O-CG2 3.31Å
122V65.6Low74.8Confident0 Ų048.1 Ų48.10%029%0.289CS..  trans-79.694.2170.3-175.40000107.6L57 Y117 E120 I126 W130 F134L57-V122 HydrophobicContact CD1-CG2 3.93Å; Y117-V122 WeakPolarHBondContact O-CA 3.3Å; Y117-V122 VanDerWaalsContact O-CB 3.29Å; Y117-V122 WeakPolarHBondContact O-CB 3.49Å; Y117-V122 PolarHBondContact O-N 2.94Å; E120-V122 VanDerWaalsContact C-N 3.31Å; V122-I126 HydrophobicContact CB-CD1 4.33Å; V122-I126 HydrophobicContact CG1-CD1 3.91Å; V122-I126 HydrophobicContact CG2-CD1 4.47Å; V122-W130 HydrophobicContact CG1-CD2 3.28Å; V122-W130 HydrophobicContact CG1-CE3 3.22Å; V122-W130 HydrophobicContact CG1-CG 3.9Å; V122-W130 HydrophobicContact CG1-CH2 3.76Å; V122-W130 HydrophobicContact CG1-CZ2 3.81Å; V122-W130 HydrophobicContact CG1-CZ3 3.49Å; V122-W130 VanDerWaalsContact CG1-CZ3 3.49Å; V122-W130 HydrophobicContact CG2-CZ2 4.49Å; V122-F134 HydrophobicContact CG1-CE2 3.95Å; V122-F134 HydrophobicContact CG1-CZ 4.19Å; V122-F134 WeakPolarHBondContact O-CE2 3.42Å; V122-F134 VanDerWaalsContact O-CZ 3.28Å; V122-F134 WeakPolarHBondContact O-CZ 3.46Å
123N65.6Low74.7Confident69 Ų6942.2 Ų42.237%0.36927%0.266SS..  trans-104156.5177.7-71.3-72.9000110.7G121 T125 I126G121-N123 PolarHBondContact O-N 3.24Å; G121-N123 PolarHBondContact O-ND2 2.97Å; N123-T125 PolarHBondContact O-N 3.45Å; N123-I126 HydrophobicContact CB-CG2 4.22Å; N123-I126 VanDerWaalsContact O-CG1 3.31Å; N123-I126 WeakPolarHBondContact O-CG1 3.15Å; N123-I126 PolarHBondContact O-N 3.29Å
124P63.5Low74.9Confident54 Ų5441.8 Ų41.835%0.35126%0.264SS..THydrogen-bonded Turntrans-55.4-12.9173.3-22.431000114.4S131 F134P124-S131 WeakPolarHBondContact O-CA 3.43Å; P124-S131 WeakPolarHBondContact O-CB 3.36Å; P124-S131 PolarHBondContact O-OG 2.76Å; P124-F134 HydrophobicContact CB-CB 4.48Å; P124-F134 HydrophobicContact CB-CD2 4.18Å; P124-F134 HydrophobicContact CG-CB 4.15Å; P124-F134 HydrophobicContact CG-CD2 3.78Å; P124-F134 HydrophobicContact CG-CE2 4.39Å; P124-F134 HydrophobicContact CG-CG 4.1Å
125T65.9Low75.3Confident127 Ų12742.7 Ų42.778%0.77927%0.271SS*.THydrogen-bonded Turntrans-94-10.6-178.955.50000114.3N123 G127N123-T125 PolarHBondContact O-N 3.45Å; T125-G127 VanDerWaalsContact C-N 3.32Å; T125-G127 PolarHBondContact O-N 2.86Å
126I69.3Low75.7Confident53 Ų5340 Ų4027%0.27225%0.249SC..SBendtrans-74.4-22.9-174.969.2160.5000113.2A50 G121 V122 N123 W130A50-I126 WeakPolarHBondContact CB-O 3.33Å; G121-I126 WeakPolarHBondContact O-CG2 3.31Å; V122-I126 HydrophobicContact CB-CD1 4.33Å; V122-I126 HydrophobicContact CG1-CD1 3.91Å; V122-I126 HydrophobicContact CG2-CD1 4.47Å; N123-I126 HydrophobicContact CB-CG2 4.22Å; N123-I126 VanDerWaalsContact O-CG1 3.31Å; N123-I126 WeakPolarHBondContact O-CG1 3.15Å; N123-I126 PolarHBondContact O-N 3.29Å; I126-W130 HydrophobicContact CD1-CD2 4.44Å; I126-W130 HydrophobicContact CD1-CG 3.88Å; I126-W130 HydrophobicContact CG1-CB 3.97Å; I126-W130 HydrophobicContact CG1-CG 3.86Å
127G70Confident76.1Confident18 Ų1837.6 Ų37.619%0.18624%0.237CC..  trans-176.5156.6-179.900000112.4T125 Y129 W130 S131T125-G127 VanDerWaalsContact C-N 3.32Å; T125-G127 PolarHBondContact O-N 2.86Å; G127-Y129 VanDerWaalsContact C-N 3.27Å; G127-Y129 PolarHBondContact O-N 3.46Å; G127-W130 PolarHBondContact O-N 3.45Å; G127-S131 PolarHBondContact O-N 2.95Å
128S76.4Confident76.9Confident64 Ų6439 Ų3945%0.44825%0.252SS..Hα-helixtrans-59.3-37.7-177-52.40000112.5S131 S132S128-S131 WeakPolarHBondContact O-CB 3.49Å; S128-S131 PolarHBondContact O-N 3.32Å; S128-S132 PolarHBondContact O-N 2.99Å; S128-S132 PolarHBondContact O-OG 3.11Å
129Y76.1Confident77.7Confident8 Ų839.3 Ų39.33%0.03125%0.249CC..Hα-helixtrans-61.2-55.5175.9176.9-98.5000111.5L40 Q44 G127 S131 S132 F133L40-Y129 HydrophobicContact CD1-CD2 3.96Å; L40-Y129 HydrophobicContact CD1-CE2 3.68Å; L40-Y129 HydrophobicContact CG-CE2 4.25Å; Q44-Y129 HydrophobicContact CB-CD2 3.96Å; Q44-Y129 HydrophobicContact CB-CE2 4.08Å; Q44-Y129 HydrophobicContact CG-CD2 4.25Å; Q44-Y129 HydrophobicContact CG-CE2 4.07Å; G127-Y129 VanDerWaalsContact C-N 3.27Å; G127-Y129 PolarHBondContact O-N 3.46Å; Y129-S131 VanDerWaalsContact C-N 3.27Å; Y129-S131 PolarHBondContact O-N 3.12Å; Y129-S132 PolarHBondContact O-N 3.1Å; Y129-S132 VanDerWaalsContact O-N 3.12Å; Y129-S132 PolarHBondContact O-OG 2.98Å; Y129-F133 WeakPolarHBondContact O-CB 3.34Å; Y129-F133 PolarHBondContact O-N 3.03Å
130W76.9Confident78.6Confident5 Ų535 Ų352%0.01922%0.219CC..Hα-helixtrans-59.4-38.1178.9-73108.4000112.4F58 V122 I126 G127 F133 F134F58-W130 HydrophobicContact CE2-CH2 4.24Å; F58-W130 AromaticContact CZ-CH2 3.94Å; F58-W130 HydrophobicContact CZ-CH2 3.94Å; F58-W130 HydrophobicContact CZ-CZ3 4.34Å; V122-W130 HydrophobicContact CG1-CD2 3.28Å; V122-W130 HydrophobicContact CG1-CE3 3.22Å; V122-W130 HydrophobicContact CG1-CG 3.9Å; V122-W130 HydrophobicContact CG1-CH2 3.76Å; V122-W130 HydrophobicContact CG1-CZ2 3.81Å; V122-W130 HydrophobicContact CG1-CZ3 3.49Å; V122-W130 VanDerWaalsContact CG1-CZ3 3.49Å; V122-W130 HydrophobicContact CG2-CZ2 4.49Å; I126-W130 HydrophobicContact CD1-CD2 4.44Å; I126-W130 HydrophobicContact CD1-CG 3.88Å; I126-W130 HydrophobicContact CG1-CB 3.97Å; I126-W130 HydrophobicContact CG1-CG 3.86Å; G127-W130 PolarHBondContact O-N 3.45Å; W130-F133 AromaticContact CE3-CD1 3.79Å; W130-F133 HydrophobicContact CE3-CD1 3.79Å; W130-F133 HydrophobicContact CE3-CE1 4.32Å; W130-F133 AromaticContact CZ3-CD1 3.94Å; W130-F133 HydrophobicContact CZ3-CD1 3.94Å; W130-F133 HydrophobicContact CZ3-CE1 4.04Å; W130-F133 PolarHBondContact O-N 2.82Å; W130-F134 HydrophobicContact CE3-CE2 4.29Å; W130-F134 WeakPolarHBondContact O-CB 3.5Å; W130-F134 WeakPolarHBondContact O-CD2 3.43Å; W130-F134 PolarHBondContact O-N 2.77Å
131S83.4Confident79.6Confident47 Ų4732.4 Ų32.433%0.32921%0.209SC..Hα-helixtrans-57.7-53173.4-159.20000111.8P124 G127 S128 Y129 F133 F134 I135P124-S131 WeakPolarHBondContact O-CA 3.43Å; P124-S131 WeakPolarHBondContact O-CB 3.36Å; P124-S131 PolarHBondContact O-OG 2.76Å; G127-S131 PolarHBondContact O-N 2.95Å; S128-S131 WeakPolarHBondContact O-CB 3.49Å; S128-S131 PolarHBondContact O-N 3.32Å; Y129-S131 VanDerWaalsContact C-N 3.27Å; Y129-S131 PolarHBondContact O-N 3.12Å; S131-F133 VanDerWaalsContact C-N 3.32Å; S131-F133 PolarHBondContact O-N 3.48Å; S131-F134 PolarHBondContact O-N 3.03Å; S131-I135 WeakPolarHBondContact O-CG1 3.5Å; S131-I135 PolarHBondContact O-N 3.28Å
132S84.3Confident80.8Confident14 Ų1434.7 Ų34.710%0.09822%0.22CC..Hα-helixtrans-65.5-35.2179.262.50000113L40 S128 Y129 L136L40-S132 WeakPolarHBondContact CD1-OG 3.42Å; S128-S132 PolarHBondContact O-N 2.99Å; S128-S132 PolarHBondContact O-OG 3.11Å; Y129-S132 PolarHBondContact O-N 3.1Å; Y129-S132 VanDerWaalsContact O-N 3.12Å; Y129-S132 PolarHBondContact O-OG 2.98Å; S132-L136 VanDerWaalsContact O-CB 3.3Å; S132-L136 WeakPolarHBondContact O-CB 3.4Å; S132-L136 PolarHBondContact O-N 3.3Å
133F83.9Confident82.1Confident1 Ų135.5 Ų35.50%0.00422%0.224CC..Hα-helixtrans-62.9-51.9174.9169.5-107.1000111.5L40 Y117 Y129 W130 S131 I135 L136 L137 V192L40-F133 HydrophobicContact CD1-CB 4.05Å; Y117-F133 HydrophobicContact CD2-CE1 4.27Å; Y117-F133 HydrophobicContact CE2-CE1 4.14Å; Y117-F133 HydrophobicContact CE2-CZ 4.29Å; Y129-F133 WeakPolarHBondContact O-CB 3.34Å; Y129-F133 PolarHBondContact O-N 3.03Å; W130-F133 AromaticContact CE3-CD1 3.79Å; W130-F133 HydrophobicContact CE3-CD1 3.79Å; W130-F133 HydrophobicContact CE3-CE1 4.32Å; W130-F133 AromaticContact CZ3-CD1 3.94Å; W130-F133 HydrophobicContact CZ3-CD1 3.94Å; W130-F133 HydrophobicContact CZ3-CE1 4.04Å; W130-F133 PolarHBondContact O-N 2.82Å; S131-F133 VanDerWaalsContact C-N 3.32Å; S131-F133 PolarHBondContact O-N 3.48Å; F133-I135 VanDerWaalsContact C-N 3.3Å; F133-I135 PolarHBondContact O-N 3.4Å; F133-L136 PolarHBondContact O-N 2.75Å; F133-L137 HydrophobicContact CE1-CD2 4.08Å; F133-L137 HydrophobicContact CE2-CB 4.34Å; F133-L137 HydrophobicContact CE2-CD2 4Å; F133-L137 HydrophobicContact CZ-CB 4.5Å; F133-L137 HydrophobicContact CZ-CD2 3.5Å; F133-L137 WeakPolarHBondContact O-CB 3.37Å; F133-L137 PolarHBondContact O-N 3Å; F133-V192 HydrophobicContact CD2-CB 4.37Å; F133-V192 HydrophobicContact CD2-CG1 3.5Å; F133-V192 VanDerWaalsContact CD2-CG1 3.5Å; F133-V192 HydrophobicContact CD2-CG2 3.98Å; F133-V192 HydrophobicContact CE2-CB 4.23Å; F133-V192 HydrophobicContact CE2-CG1 3.33Å; F133-V192 HydrophobicContact CE2-CG2 4.15Å; F133-V192 HydrophobicContact CZ-CG1 4.32Å
134F86Confident83.4Confident8 Ų832.4 Ų32.44%0.03521%0.208CC..Hα-helixtrans-63.8-34.9179.4-81.2-59.1000112.7F114 Y117 V122 P124 W130 S131 G138F114-F134 HydrophobicContact CD1-CD1 4.48Å; F114-F134 HydrophobicContact CD1-CE1 4.16Å; F114-F134 AromaticContact CD2-CD1 3.62Å; F114-F134 HydrophobicContact CD2-CD1 3.62Å; F114-F134 AromaticContact CD2-CE1 3.81Å; F114-F134 HydrophobicContact CD2-CE1 3.81Å; F114-F134 HydrophobicContact CE1-CD1 4.04Å; F114-F134 HydrophobicContact CE1-CE1 4.02Å; F114-F134 HydrophobicContact CE2-CB 4.24Å; F114-F134 AromaticContact CE2-CD1 3.13Å; F114-F134 HydrophobicContact CE2-CD1 3.13Å; F114-F134 AromaticContact CE2-CE1 3.73Å; F114-F134 HydrophobicContact CE2-CE1 3.73Å; F114-F134 HydrophobicContact CE2-CG 4.08Å; F114-F134 HydrophobicContact CG-CD1 4.29Å; F114-F134 HydrophobicContact CG-CE1 4.05Å; F114-F134 HydrophobicContact CZ-CB 4.29Å; F114-F134 AromaticContact CZ-CD1 3.34Å; F114-F134 HydrophobicContact CZ-CD1 3.34Å; F114-F134 AromaticContact CZ-CE1 3.79Å; F114-F134 HydrophobicContact CZ-CE1 3.79Å; F114-F134 HydrophobicContact CZ-CG 4.08Å; Y117-F134 HydrophobicContact CD2-CE1 4.47Å; V122-F134 HydrophobicContact CG1-CE2 3.95Å; V122-F134 HydrophobicContact CG1-CZ 4.19Å; V122-F134 WeakPolarHBondContact O-CE2 3.42Å; V122-F134 VanDerWaalsContact O-CZ 3.28Å; V122-F134 WeakPolarHBondContact O-CZ 3.46Å; P124-F134 HydrophobicContact CB-CB 4.48Å; P124-F134 HydrophobicContact CB-CD2 4.18Å; P124-F134 HydrophobicContact CG-CB 4.15Å; P124-F134 HydrophobicContact CG-CD2 3.78Å; P124-F134 HydrophobicContact CG-CE2 4.39Å; P124-F134 HydrophobicContact CG-CG 4.1Å; W130-F134 HydrophobicContact CE3-CE2 4.29Å; W130-F134 WeakPolarHBondContact O-CB 3.5Å; W130-F134 WeakPolarHBondContact O-CD2 3.43Å; W130-F134 PolarHBondContact O-N 2.77Å; S131-F134 PolarHBondContact O-N 3.03Å; F134-G138 VanDerWaalsContact O-CA 3.31Å; F134-G138 WeakPolarHBondContact O-CA 3.5Å; F134-G138 PolarHBondContact O-N 3.02Å
135I90.2Very high84.8Confident94 Ų9432 Ų3248%0.48221%0.205SC..Hα-helixtrans-69.5-43.5174.2-67.4-65.2000111.1L36 S131 F133 T139L36-I135 HydrophobicContact CD2-CG2 4.05Å; S131-I135 WeakPolarHBondContact O-CG1 3.5Å; S131-I135 PolarHBondContact O-N 3.28Å; F133-I135 VanDerWaalsContact C-N 3.3Å; F133-I135 PolarHBondContact O-N 3.4Å; I135-T139 WeakPolarHBondContact O-CB 3.38Å; I135-T139 PolarHBondContact O-N 3.4Å; I135-T139 PolarHBondContact O-OG1 3.02Å
136L90.6Very high86.1Confident1 Ų131.1 Ų31.11%0.00520%0.196CC..Hα-helixtrans-62.5-53.9178176.868.8000111.1F33 L36 F37 L40 S132 F133 T139 H140 I188 V192F33-L136 HydrophobicContact CD1-CD1 4.21Å; L36-L136 HydrophobicContact CB-CD1 3.56Å; L36-L136 HydrophobicContact CD1-CD1 4.27Å; F37-L136 HydrophobicContact CD1-CD2 3.93Å; F37-L136 HydrophobicContact CD2-CD1 4.17Å; F37-L136 HydrophobicContact CE1-CD2 3.86Å; F37-L136 HydrophobicContact CE2-CD1 4.17Å; F37-L136 HydrophobicContact CG-CD1 4.4Å; F37-L136 HydrophobicContact CG-CD2 4.44Å; F37-L136 HydrophobicContact CZ-CD1 4.43Å; F37-L136 HydrophobicContact CZ-CD2 4.3Å; L40-L136 HydrophobicContact CD2-CD2 3.82Å; S132-L136 VanDerWaalsContact O-CB 3.3Å; S132-L136 WeakPolarHBondContact O-CB 3.4Å; S132-L136 PolarHBondContact O-N 3.3Å; F133-L136 PolarHBondContact O-N 2.75Å; L136-T139 PolarHBondContact O-N 3.4Å; L136-H140 WeakPolarHBondContact O-CB 3.36Å; L136-H140 PolarHBondContact O-N 3.37Å; L136-I188 HydrophobicContact CD2-CG1 4.36Å; L136-I188 HydrophobicContact CG-CD1 4.38Å; L136-I188 HydrophobicContact CG-CG1 4.41Å; L136-V192 HydrophobicContact CD2-CG2 4.49Å
137L89.5Confident87.2Confident1 Ų128.6 Ų28.61%0.00518%0.183CC..Hα-helixtrans-65-48.8-179.6-172.962.8000110.7E110 F133 T139 H140 G141 W185 I188E110-L137 HydrophobicContact CG-CD1 4.2Å; E110-L137 HydrophobicContact CG-CG 4.24Å; E110-L137 WeakPolarHBondContact OE1-CD1 3.32Å; E110-L137 WeakPolarHBondContact OE1-CG 3.4Å; E110-L137 VanDerWaalsContact OE1-O 3.06Å; F133-L137 HydrophobicContact CE1-CD2 4.08Å; F133-L137 HydrophobicContact CE2-CB 4.34Å; F133-L137 HydrophobicContact CE2-CD2 4Å; F133-L137 HydrophobicContact CZ-CB 4.5Å; F133-L137 HydrophobicContact CZ-CD2 3.5Å; F133-L137 WeakPolarHBondContact O-CB 3.37Å; F133-L137 PolarHBondContact O-N 3Å; L137-T139 VanDerWaalsContact C-N 3.34Å; L137-T139 PolarHBondContact O-N 3.09Å; L137-H140 CarbonylContact O-C 3.57Å; L137-H140 WeakPolarHBondContact O-CA 3.32Å; L137-H140 WeakPolarHBondContact O-CB 3.42Å; L137-H140 PolarHBondContact O-N 3.28Å; L137-G141 PolarHBondContact O-N 3.42Å; L137-W185 HydrophobicContact CD1-CH2 3.87Å; L137-W185 HydrophobicContact CD1-CZ3 3.43Å; L137-W185 VanDerWaalsContact CD1-CZ3 3.43Å; L137-I188 HydrophobicContact CD1-CG2 4.28Å
138G90.5Very high88.3Confident29 Ų2928.5 Ų28.530%0.29918%0.178SC..Hα-helixtrans-62.3-37.1178.700000113.8F134 H140 C142F134-G138 VanDerWaalsContact O-CA 3.31Å; F134-G138 WeakPolarHBondContact O-CA 3.5Å; F134-G138 PolarHBondContact O-N 3.02Å; G138-H140 VanDerWaalsContact C-N 3.35Å; G138-C142 WeakPolarHBondContact O-CB 3.15Å; G138-C142 PolarHBondContact O-N 3.36Å
139T93.1Very high89.1Confident50 Ų5029.7 Ų29.731%0.30718%0.183SC..Hα-helixtrans-66.5-40.6173.4-57.50000110.5L32 F33 L36 I135 L136 L137 H143L32-T139 HydrophobicContact CD2-CG2 4.37Å; F33-T139 HydrophobicContact CE1-CG2 4.3Å; F33-T139 HydrophobicContact CZ-CG2 4.37Å; L36-T139 HydrophobicContact CD1-CG2 4.27Å; I135-T139 WeakPolarHBondContact O-CB 3.38Å; I135-T139 PolarHBondContact O-N 3.4Å; I135-T139 PolarHBondContact O-OG1 3.02Å; L136-T139 PolarHBondContact O-N 3.4Å; L137-T139 VanDerWaalsContact C-N 3.34Å; L137-T139 PolarHBondContact O-N 3.09Å; T139-H143 WeakPolarHBondContact O-CB 3.36Å; T139-H143 PolarHBondContact O-N 3.24Å
140H91.5Very high89.9Confident1 Ų134.1 Ų34.11%0.00520%0.199CC..Hα-helixtrans-62.2-53.1174.8-177.374.9000112.1F33 L136 L137 G138 C142 H143 V144 L181 W185 I188F33-H140 HydrophobicContact CE1-CB 3.99Å; F33-H140 HydrophobicContact CZ-CB 4.49Å; L136-H140 WeakPolarHBondContact O-CB 3.36Å; L136-H140 PolarHBondContact O-N 3.37Å; L137-H140 CarbonylContact O-C 3.57Å; L137-H140 WeakPolarHBondContact O-CA 3.32Å; L137-H140 WeakPolarHBondContact O-CB 3.42Å; L137-H140 PolarHBondContact O-N 3.28Å; G138-H140 VanDerWaalsContact C-N 3.35Å; H140-C142 VanDerWaalsContact C-N 3.3Å; H140-C142 PolarHBondContact O-N 3.42Å; H140-H143 CarbonylContact O-C 3.57Å; H140-H143 WeakPolarHBondContact O-CA 3.35Å; H140-H143 WeakPolarHBondContact O-CB 3.44Å; H140-H143 PolarHBondContact O-N 2.8Å; H140-V144 WeakPolarHBondContact NE2-CG2 3.46Å; H140-V144 WeakPolarHBondContact O-CG2 3.38Å; H140-V144 PolarHBondContact O-N 2.92Å; H140-L181 PolarHBondContact CE1-O 3.27Å; H140-W185 AromaticContact CD2-CE3 3.48Å; H140-W185 VanDerWaalsContact CD2-CE3 3.48Å; H140-W185 AromaticContact CD2-CZ3 3.92Å; H140-W185 AromaticContact NE2-CE3 3.47Å; H140-I188 HydrophobicContact CB-CD1 3.58Å
141G91.7Very high90.6Very high8 Ų834 Ų348%0.08220%0.199CC..Hα-helixtrans-59.4-38.3178.100000113.3E110 L137 S145E110-G141 WeakPolarHBondContact OE1-CA 3.15Å; E110-G141 PolarHBondContact OE1-N 3.3Å; E110-G141 WeakPolarHBondContact OE2-CA 3.48Å; L137-G141 PolarHBondContact O-N 3.42Å; G141-S145 WeakPolarHBondContact O-CB 3.2Å; G141-S145 PolarHBondContact O-N 3.13Å; G141-S145 PolarHBondContact O-OG 3.5Å
142C92.6Very high91.1Very high76 Ų7635.1 Ų35.151%0.51420%0.2SC..Hα-helixtrans-62.1-46171.5-176.50000111.6G138 H140 S145 L146G138-C142 WeakPolarHBondContact O-CB 3.15Å; G138-C142 PolarHBondContact O-N 3.36Å; H140-C142 VanDerWaalsContact C-N 3.3Å; H140-C142 PolarHBondContact O-N 3.42Å; C142-S145 WeakPolarHBondContact O-CB 3.35Å; C142-S145 PolarHBondContact O-N 3.45Å; C142-L146 WeakPolarHBondContact O-CG 3.34Å; C142-L146 PolarHBondContact O-N 3.45Å
143H93.1Very high91.5Very high18 Ų1837.9 Ų37.98%0.08322%0.219CC..Hα-helixtrans-63.4-44.4179.1-170.9-117.4000111.8E29 F33 T139 H140 S145 L146 G147 Y177 L181E29-H143 IonicContact OE2-CD2 3.98Å; E29-H143 IonicContact OE2-CE1 2.62Å; E29-H143 IonicContact OE2-NE2 3.56Å; E29-H143 PolarHBondContact OE2-NE2 2.85Å; F33-H143 AromaticContact CE2-ND1 3.81Å; F33-H143 HydrophobicContact CZ-CB 4.17Å; F33-H143 AromaticContact CZ-ND1 3.96Å; T139-H143 WeakPolarHBondContact O-CB 3.36Å; T139-H143 PolarHBondContact O-N 3.24Å; H140-H143 CarbonylContact O-C 3.57Å; H140-H143 WeakPolarHBondContact O-CA 3.35Å; H140-H143 WeakPolarHBondContact O-CB 3.44Å; H140-H143 PolarHBondContact O-N 2.8Å; H143-S145 VanDerWaalsContact C-N 3.34Å; H143-S145 PolarHBondContact O-N 2.82Å; H143-L146 PolarHBondContact O-N 3.06Å; H143-G147 PolarHBondContact O-N 3.19Å; H143-Y177 PolarHBondContact CD2-OH 3.47Å; H143-Y177 AromaticContact CE1-CE2 3.37Å; H143-Y177 WeakPolarHBondContact CE1-CE2 3.47Å; H143-Y177 AromaticContact CE1-CZ 3.42Å; H143-Y177 VanDerWaalsContact CE1-CZ 3.42Å; H143-Y177 PolarHBondContact CE1-OH 2.91Å; H143-Y177 VanDerWaalsContact CG-OH 3.31Å; H143-Y177 AromaticContact ND1-CZ 4Å; H143-Y177 PolarHBondContact ND1-OH 3.25Å; H143-Y177 AromaticContact NE2-CE2 3.37Å; H143-Y177 WeakPolarHBondContact NE2-CE2 3.22Å; H143-Y177 AromaticContact NE2-CZ 3.44Å; H143-Y177 PolarHBondContact NE2-OH 3.15Å; H143-Y177 PolarHBondContact O-OH 2.64Å; H143-Y177 VanDerWaalsContact O-OH 3.11Å; H143-L181 WeakPolarHBondContact ND1-CD2 3.33Å
144V92.8Very high91.8Very high4 Ų438.3 Ų38.32%0.02422%0.222CC..Hα-helixtrans-60.2-43.71731780000111V107 H140 L146 G147 I148 L181V107-V144 HydrophobicContact CG2-CB 4.11Å; V107-V144 HydrophobicContact CG2-CG1 3.53Å; H140-V144 WeakPolarHBondContact NE2-CG2 3.46Å; H140-V144 WeakPolarHBondContact O-CG2 3.38Å; H140-V144 PolarHBondContact O-N 2.92Å; V144-L146 PolarHBondContact O-N 3Å; V144-G147 CarbonylContact O-C 3.6Å; V144-G147 WeakPolarHBondContact O-CA 3.46Å; V144-G147 PolarHBondContact O-N 3.34Å; V144-G147 VanDerWaalsContact O-N 3.1Å; V144-I148 HydrophobicContact CG1-CD1 3.99Å; V144-I148 HydrophobicContact CG1-CG1 4.41Å; V144-I148 WeakPolarHBondContact O-CG1 3.28Å; V144-I148 PolarHBondContact O-N 3.34Å; V144-L181 HydrophobicContact CB-CD1 4.36Å; V144-L181 HydrophobicContact CG1-CD1 4.43Å; V144-L181 HydrophobicContact CG2-CB 4.38Å; V144-L181 HydrophobicContact CG2-CD1 4.09Å; V144-L181 HydrophobicContact CG2-CD2 4.03Å; V144-L181 HydrophobicContact CG2-CG 4.41Å
145S92.6Very high91.9Very high44 Ų4438.8 Ų38.831%0.30822%0.224SC..Hα-helixtrans-60.5-43.9178.1-62.30000112.2G141 C142 H143 G147 I148 V149G141-S145 WeakPolarHBondContact O-CB 3.2Å; G141-S145 PolarHBondContact O-N 3.13Å; G141-S145 PolarHBondContact O-OG 3.5Å; C142-S145 WeakPolarHBondContact O-CB 3.35Å; C142-S145 PolarHBondContact O-N 3.45Å; H143-S145 VanDerWaalsContact C-N 3.34Å; H143-S145 PolarHBondContact O-N 2.82Å; S145-G147 VanDerWaalsContact C-N 3.3Å; S145-G147 PolarHBondContact O-N 3.37Å; S145-I148 PolarHBondContact O-N 2.84Å; S145-V149 WeakPolarHBondContact O-CG2 3.47Å; S145-V149 PolarHBondContact O-N 2.89Å
146L93.7Very high91.8Very high109 Ų10938.3 Ų38.357%0.57122%0.222SC*.Hα-helixtrans-61.7-40.1173.6-69.7173.1000111.5C142 H143 V144 V149 W150C142-L146 WeakPolarHBondContact O-CG 3.34Å; C142-L146 PolarHBondContact O-N 3.45Å; H143-L146 PolarHBondContact O-N 3.06Å; V144-L146 PolarHBondContact O-N 3Å; L146-V149 PolarHBondContact O-N 3.39Å; L146-W150 WeakPolarHBondContact O-CB 3.01Å; L146-W150 PolarHBondContact O-N 2.92Å
147G92.5Very high91.7Very high1 Ų140.5 Ų40.51%0.0123%0.232CC..Hα-helixtrans-56.7-48.6171.800000114.1H143 V144 S145 W150 A151 Y177H143-G147 PolarHBondContact O-N 3.19Å; V144-G147 CarbonylContact O-C 3.6Å; V144-G147 WeakPolarHBondContact O-CA 3.46Å; V144-G147 PolarHBondContact O-N 3.34Å; V144-G147 VanDerWaalsContact O-N 3.1Å; S145-G147 VanDerWaalsContact C-N 3.3Å; S145-G147 PolarHBondContact O-N 3.37Å; G147-W150 PolarHBondContact O-N 2.75Å; G147-A151 WeakPolarHBondContact O-CB 3.25Å; G147-A151 PolarHBondContact O-N 3.28Å; G147-Y177 VanDerWaalsContact CA-CE1 3.49Å
148I92.4Very high91.5Very high15 Ų1540.5 Ų40.58%0.07723%0.232CC..Hα-helixtrans-61.5-48.1178.2-69.8168.5000110.2L100 V107 V144 S145 W150 A151 I152 W178L100-I148 HydrophobicContact CD2-CB 4.46Å; L100-I148 HydrophobicContact CD2-CG1 4.34Å; L100-I148 HydrophobicContact CD2-CG2 4.29Å; V107-I148 HydrophobicContact CG2-CD1 3.87Å; V144-I148 HydrophobicContact CG1-CD1 3.99Å; V144-I148 HydrophobicContact CG1-CG1 4.41Å; V144-I148 WeakPolarHBondContact O-CG1 3.28Å; V144-I148 PolarHBondContact O-N 3.34Å; S145-I148 PolarHBondContact O-N 2.84Å; I148-W150 VanDerWaalsContact C-N 3.29Å; I148-W150 PolarHBondContact O-N 3.24Å; I148-A151 PolarHBondContact O-N 3.39Å; I148-I152 HydrophobicContact CG2-CD1 3.62Å; I148-I152 HydrophobicContact CG2-CG1 4.3Å; I148-I152 WeakPolarHBondContact O-CB 3.15Å; I148-I152 VanDerWaalsContact O-CG1 3.23Å; I148-I152 WeakPolarHBondContact O-CG1 3.47Å; I148-I152 PolarHBondContact O-N 3.21Å; I148-W178 HydrophobicContact CD1-CH2 4.28Å; I148-W178 HydrophobicContact CG1-CH2 3.65Å; I148-W178 HydrophobicContact CG1-CZ3 3.67Å
149V94.5Very high91.1Very high90 Ų9045.9 Ų45.955%0.54525%0.249SC..Hα-helixtrans-58.9-43.5177.9172.30000110.7S145 L146 I152 C153S145-V149 WeakPolarHBondContact O-CG2 3.47Å; S145-V149 PolarHBondContact O-N 2.89Å; L146-V149 PolarHBondContact O-N 3.39Å; V149-I152 PolarHBondContact O-N 2.56Å; V149-C153 PolarHBondContact O-N 3.34Å; V149-C153 PolarHBondContact O-SG 3.05Å
150W93Very high90.7Very high101 Ų10153.8 Ų53.838%0.38327%0.274SS..Hα-helixtrans-65-46178.2-176.820.5000112.3L146 G147 I148 I152 C153 L154 I173 V174L146-W150 WeakPolarHBondContact O-CB 3.01Å; L146-W150 PolarHBondContact O-N 2.92Å; G147-W150 PolarHBondContact O-N 2.75Å; I148-W150 VanDerWaalsContact C-N 3.29Å; I148-W150 PolarHBondContact O-N 3.24Å; W150-I152 PolarHBondContact O-N 3.15Å; W150-C153 WeakPolarHBondContact O-CB 3.43Å; W150-C153 PolarHBondContact O-N 2.82Å; W150-L154 PolarHBondContact O-N 3.42Å; W150-I173 HydrophobicContact CH2-CG2 3.79Å; W150-I173 HydrophobicContact CZ2-CG2 4.42Å; W150-V174 HydrophobicContact CD2-CG2 3.77Å; W150-V174 HydrophobicContact CE3-CG2 3.93Å; W150-V174 HydrophobicContact CG-CG2 4.39Å; W150-V174 HydrophobicContact CH2-CG2 4.05Å; W150-V174 HydrophobicContact CZ2-CG2 3.89Å; W150-V174 HydrophobicContact CZ3-CG2 4.07Å
151A91.6Very high90.1Very high1 Ų163 Ų631%0.00831%0.308CS..Hα-helixtrans-62.9-41.3177.900000112.2L100 G147 I148 L154 L155 V174L100-A151 HydrophobicContact CD1-CB 4.12Å; L100-A151 HydrophobicContact CD2-CB 3.5Å; L100-A151 HydrophobicContact CG-CB 4.31Å; G147-A151 WeakPolarHBondContact O-CB 3.25Å; G147-A151 PolarHBondContact O-N 3.28Å; I148-A151 PolarHBondContact O-N 3.39Å; A151-L154 PolarHBondContact O-N 3.33Å; A151-L155 WeakPolarHBondContact O-CG 3.5Å; A151-L155 PolarHBondContact O-N 2.96Å; A151-V174 HydrophobicContact CB-CG1 3.78Å
152I92.7Very high89.4Confident71 Ų7163.6 Ų63.636%0.36431%0.314SS..Hα-helixtrans-59.8-46.4173.1-69.8168.6000110.4L100 I148 V149 W150 L154 L155 I156L100-I152 HydrophobicContact CD1-CG1 4.03Å; I148-I152 HydrophobicContact CG2-CD1 3.62Å; I148-I152 HydrophobicContact CG2-CG1 4.3Å; I148-I152 WeakPolarHBondContact O-CB 3.15Å; I148-I152 VanDerWaalsContact O-CG1 3.23Å; I148-I152 WeakPolarHBondContact O-CG1 3.47Å; I148-I152 PolarHBondContact O-N 3.21Å; V149-I152 PolarHBondContact O-N 2.56Å; W150-I152 PolarHBondContact O-N 3.15Å; I152-L154 VanDerWaalsContact C-N 3.3Å; I152-L154 PolarHBondContact O-N 2.91Å; I152-L155 PolarHBondContact O-N 3.12Å; I152-I156 HydrophobicContact CG2-CD1 3.82Å; I152-I156 HydrophobicContact CG2-CG1 4.44Å; I152-I156 WeakPolarHBondContact O-CG1 3.35Å; I152-I156 PolarHBondContact O-N 2.91Å
153C92.7Very high88.3Confident72 Ų7261.7 Ų61.749%0.48630%0.299SS..Hα-helixtrans-57.7-42.5176.7-70.30000112V149 W150 I156 Q157V149-C153 PolarHBondContact O-N 3.34Å; V149-C153 PolarHBondContact O-SG 3.05Å; W150-C153 WeakPolarHBondContact O-CB 3.43Å; W150-C153 PolarHBondContact O-N 2.82Å; C153-I156 PolarHBondContact O-N 2.9Å; C153-Q157 WeakPolarHBondContact O-CB 3.34Å; C153-Q157 PolarHBondContact O-N 2.85Å
154L89.6Confident87.1Confident11 Ų1165.3 Ų65.36%0.05832%0.319CS..Hα-helixtrans-65.6-42.3176.1-71.2-172.3000112.3W150 A151 I152 I156 Q157 I158 K170 V174W150-L154 PolarHBondContact O-N 3.42Å; A151-L154 PolarHBondContact O-N 3.33Å; I152-L154 VanDerWaalsContact C-N 3.3Å; I152-L154 PolarHBondContact O-N 2.91Å; L154-I156 VanDerWaalsContact C-N 3.34Å; L154-I156 PolarHBondContact O-N 2.89Å; L154-Q157 WeakPolarHBondContact O-CB 3.42Å; L154-Q157 PolarHBondContact O-N 3.34Å; L154-Q157 VanDerWaalsContact O-N 3.16Å; L154-I158 VanDerWaalsContact O-CD1 3.31Å; L154-I158 WeakPolarHBondContact O-CD1 3.49Å; L154-I158 VanDerWaalsContact O-CG1 3.29Å; L154-I158 WeakPolarHBondContact O-CG1 3.38Å; L154-I158 PolarHBondContact O-N 2.86Å; L154-K170 HydrophobicContact CD1-CB 4.11Å; L154-K170 HydrophobicContact CD2-CB 4.26Å; L154-K170 HydrophobicContact CD2-CD 4.3Å; L154-V174 HydrophobicContact CD1-CB 4.06Å; L154-V174 HydrophobicContact CD1-CG2 3.34Å
155L88.2Confident85.7Confident18 Ų1869.2 Ų69.29%0.09434%0.336CS..Hα-helixtrans-61.5-42.7177-71.9-176.4000112M96 I97 L100 A151 I152 Q157 I158 Q159M96-L155 HydrophobicContact CB-CD1 4.07Å; M96-L155 HydrophobicContact CB-CD2 3.75Å; M96-L155 HydrophobicContact CB-CG 4.46Å; M96-L155 HydrophobicContact CG-CD2 4.13Å; I97-L155 HydrophobicContact CG1-CD1 4.05Å; L100-L155 HydrophobicContact CD1-CD1 3.32Å; L100-L155 HydrophobicContact CD1-CG 4.33Å; A151-L155 WeakPolarHBondContact O-CG 3.5Å; A151-L155 PolarHBondContact O-N 2.96Å; I152-L155 PolarHBondContact O-N 3.12Å; L155-Q157 VanDerWaalsContact C-N 3.32Å; L155-Q157 PolarHBondContact O-N 3.02Å; L155-I158 PolarHBondContact O-N 3.02Å; L155-Q159 WeakPolarHBondContact O-CB 3.43Å; L155-Q159 PolarHBondContact O-N 3.24Å
156I89.6Confident84.6Confident84 Ų8473.6 Ų73.643%0.43135%0.347SS..Hα-helixtrans-61.7-42.6174.3-65.2166.8000110.3I152 C153 L154 I158 Q159 R160I152-I156 HydrophobicContact CG2-CD1 3.82Å; I152-I156 HydrophobicContact CG2-CG1 4.44Å; I152-I156 WeakPolarHBondContact O-CG1 3.35Å; I152-I156 PolarHBondContact O-N 2.91Å; C153-I156 PolarHBondContact O-N 2.9Å; L154-I156 VanDerWaalsContact C-N 3.34Å; L154-I156 PolarHBondContact O-N 2.89Å; I156-I158 VanDerWaalsContact C-N 3.35Å; I156-I158 PolarHBondContact O-N 2.85Å; I156-Q159 PolarHBondContact O-N 2.81Å; I156-R160 WeakPolarHBondContact O-CG 3.48Å; I156-R160 PolarHBondContact O-N 3.38Å; I156-R160 VanDerWaalsContact O-N 3.08Å
157Q87.6Confident83.8Confident47 Ų4768.8 Ų68.822%0.2232%0.321CS..Hα-helixtrans-60.4-43.8177.2-177.7173.93000111.9C153 L154 L155 R160 R161C153-Q157 WeakPolarHBondContact O-CB 3.34Å; C153-Q157 PolarHBondContact O-N 2.85Å; L154-Q157 WeakPolarHBondContact O-CB 3.42Å; L154-Q157 PolarHBondContact O-N 3.34Å; L154-Q157 VanDerWaalsContact O-N 3.16Å; L155-Q157 VanDerWaalsContact C-N 3.32Å; L155-Q157 PolarHBondContact O-N 3.02Å; Q157-R160 PolarHBondContact O-N 2.9Å; Q157-R161 WeakPolarHBondContact O-CB 3.46Å; Q157-R161 PolarHBondContact O-N 2.89Å
158I84.8Confident83Confident1 Ų168.7 Ų68.71%0.00532%0.321CS..Hα-helixtrans-69.7-38.2179.2-66.5153.6000111.4Q89 M92 L154 L155 I156 R160 G162 N167 L171Q89-I158 HydrophobicContact CG-CG2 4.13Å; Q89-I158 PolarHBondContact NE2-O 3.04Å; M92-I158 HydrophobicContact CE-CD1 4.3Å; M92-I158 HydrophobicContact CE-CG2 4.07Å; L154-I158 VanDerWaalsContact O-CD1 3.31Å; L154-I158 WeakPolarHBondContact O-CD1 3.49Å; L154-I158 VanDerWaalsContact O-CG1 3.29Å; L154-I158 WeakPolarHBondContact O-CG1 3.38Å; L154-I158 PolarHBondContact O-N 2.86Å; L155-I158 PolarHBondContact O-N 3.02Å; I156-I158 VanDerWaalsContact C-N 3.35Å; I156-I158 PolarHBondContact O-N 2.85Å; I158-R160 PolarHBondContact O-N 3.31Å; I158-G162 WeakPolarHBondContact O-CA 3.43Å; I158-G162 PolarHBondContact O-N 3.16Å; I158-N167 HydrophobicContact CG1-CB 4.22Å; I158-L171 HydrophobicContact CD1-CD1 3.47Å; I158-L171 VanDerWaalsContact CD1-CD1 3.47Å; I158-L171 HydrophobicContact CD1-CD2 3.57Å; I158-L171 HydrophobicContact CD1-CG 3.57Å
159Q83.7Confident82.4Confident142 Ų14268.3 Ų68.366%0.66432%0.319SS*.Hα-helixtrans-62-35.2175.6-169177.913.300111.5L155 I156L155-Q159 WeakPolarHBondContact O-CB 3.43Å; L155-Q159 PolarHBondContact O-N 3.24Å; I156-Q159 PolarHBondContact O-N 2.81Å
160R84.7Confident81.9Confident216 Ų21666.8 Ų66.882%0.81531%0.305SS*.Hα-helixtrans-85.9-37.9-179.5-66.1-176.278.8177.46114.4I156 Q157 I158I156-R160 WeakPolarHBondContact O-CG 3.48Å; I156-R160 PolarHBondContact O-N 3.38Å; I156-R160 VanDerWaalsContact O-N 3.08Å; Q157-R160 PolarHBondContact O-N 2.9Å; I158-R160 PolarHBondContact O-N 3.31Å
161R77.8Confident81.5Confident193 Ų19362.1 Ų62.173%0.72829%0.288SS*.Hα-helixtrans-106-9.5-173.7-63.2-170.6-179-169.90.5114.3Q157Q157-R161 WeakPolarHBondContact O-CB 3.46Å; Q157-R161 PolarHBondContact O-N 2.89Å
162G76.7Confident81.2Confident21 Ų2164.3 Ų64.322%0.21630%0.297CS..  trans80.7172.2-172.200000113.3I158 D164 N167I158-G162 WeakPolarHBondContact O-CA 3.43Å; I158-G162 PolarHBondContact O-N 3.16Å; G162-D164 PolarHBondContact O-N 3.39Å; G162-D164 VanDerWaalsContact O-N 3.09Å; G162-N167 PolarHBondContact O-ND2 2.93Å
163L70Confident81Confident37 Ų3761.7 Ų61.719%0.19428%0.283CS..SBendtrans-79.986176.4-159156.4000109.2I8 M84 Q89 M92 A168I8-L163 HydrophobicContact CD1-CD2 3.81Å; M84-L163 HydrophobicContact CG-CD1 4.22Å; Q89-L163 HydrophobicContact CB-CB 4.4Å; Q89-L163 HydrophobicContact CB-CD1 4.17Å; Q89-L163 HydrophobicContact CG-CB 4.28Å; Q89-L163 HydrophobicContact CG-CD1 4.39Å; M92-L163 HydrophobicContact CE-CD1 4.09Å; M92-L163 HydrophobicContact SD-CD1 3.53Å; M92-L163 VanDerWaalsContact SD-CD1 3.53Å; L163-A168 HydrophobicContact CD2-CB 4.37Å
164D67.5Low80.8Confident94 Ų9458.4 Ų58.450%0.50326%0.261SS..  trans-90.1155177-165.4-3.1000111.1G162 Y166 N167 A168G162-D164 PolarHBondContact O-N 3.39Å; G162-D164 VanDerWaalsContact O-N 3.09Å; D164-Y166 PolarHBondContact O-N 3.23Å; D164-N167 PolarHBondContact O-N 3.26Å; D164-A168 PolarHBondContact O-N 3.49Å; D164-A168 VanDerWaalsContact O-N 3.09Å
165K64.9Low80.7Confident86 Ų8658.7 Ų58.737%0.37426%0.264SS..THydrogen-bonded Turntrans-54.3-21.9174-162.9-175.6-178.1-163.70112.4R11 T12 P169R11-K165 HydrophobicContact CB-CD 4.49Å; R11-K165 PolarHBondContact O-NZ 3.22Å; T12-K165 HydrophobicContact CG2-CD 4.25Å; K165-P169 WeakPolarHBondContact O-CD 2.97Å
166Y69.4Low80.7Confident136 Ų13659.4 Ų59.453%0.53327%0.268SS..THydrogen-bonded Turntrans-82.3-27.7174.7-166.5-102.4000114.2D164 K170D164-Y166 PolarHBondContact O-N 3.23Å; Y166-K170 VanDerWaalsContact CE1-CE 3.49Å
167N75.4Confident80.8Confident7 Ų756 Ų564%0.03725%0.25CC..THydrogen-bonded Turntrans-90.7-28.9-179.3-66.7-25.6000112.3I158 G162 D164 K170 L171I158-N167 HydrophobicContact CG1-CB 4.22Å; G162-N167 PolarHBondContact O-ND2 2.93Å; D164-N167 PolarHBondContact O-N 3.26Å; N167-K170 WeakPolarHBondContact O-CB 3.3Å; N167-K170 PolarHBondContact O-N 2.66Å; N167-K170 VanDerWaalsContact O-N 3.1Å; N167-L171 PolarHBondContact O-N 3.04Å
168A76.7Confident80.9Confident0 Ų054 Ų540%024%0.24CC..Hα-helixtrans-58.9-44.2-179.900000114I8 M84 L163 D164 K170 L171 F172I8-A168 HydrophobicContact CD1-CB 3.58Å; I8-A168 HydrophobicContact CG1-CB 3.85Å; M84-A168 HydrophobicContact CE-CB 4.43Å; M84-A168 HydrophobicContact SD-CB 4.18Å; L163-A168 HydrophobicContact CD2-CB 4.37Å; D164-A168 PolarHBondContact O-N 3.49Å; D164-A168 VanDerWaalsContact O-N 3.09Å; A168-K170 VanDerWaalsContact C-N 3.27Å; A168-K170 PolarHBondContact O-N 3.04Å; A168-L171 PolarHBondContact O-N 3.28Å; A168-F172 PolarHBondContact O-N 2.91Å; A168-F172 VanDerWaalsContact O-N 3.11Å
169P79Confident81.2Confident6 Ų658.7 Ų58.74%0.03926%0.262CS..Hα-helixtrans-60.2-36.2173-20.629000113K165 F172 I173K165-P169 WeakPolarHBondContact O-CD 2.97Å; P169-F172 WeakPolarHBondContact O-CB 3.24Å; P169-F172 PolarHBondContact O-N 3.06Å; P169-I173 WeakPolarHBondContact O-CG1 3.31Å; P169-I173 PolarHBondContact O-N 3.17Å
170K84.7Confident81.4Confident59 Ų5952.9 Ų52.926%0.25723%0.234SC..Hα-helixtrans-68.3-40.2-179.3-59.1-176.9-179.5-169.70112L154 Y166 N167 A168 F172 I173 V174L154-K170 HydrophobicContact CD1-CB 4.11Å; L154-K170 HydrophobicContact CD2-CB 4.26Å; L154-K170 HydrophobicContact CD2-CD 4.3Å; Y166-K170 VanDerWaalsContact CE1-CE 3.49Å; N167-K170 WeakPolarHBondContact O-CB 3.3Å; N167-K170 PolarHBondContact O-N 2.66Å; N167-K170 VanDerWaalsContact O-N 3.1Å; A168-K170 VanDerWaalsContact C-N 3.27Å; A168-K170 PolarHBondContact O-N 3.04Å; K170-F172 VanDerWaalsContact C-N 3.34Å; K170-I173 PolarHBondContact O-N 3.35Å; K170-V174 PolarHBondContact O-N 3.44Å
171L84.5Confident81.7Confident3 Ų342.7 Ų42.72%0.01620%0.196CC..Hα-helixtrans-62.9-41.6172.6-82.4178.1000112.2I81 M84 M92 I158 N167 A168 I173 V174 S175I81-L171 HydrophobicContact CD1-CB 4.4Å; M84-L171 HydrophobicContact CG-CD1 4.07Å; M84-L171 HydrophobicContact SD-CB 3.45Å; M84-L171 WeakPolarHBondContact SD-CB 3.33Å; M84-L171 HydrophobicContact SD-CD1 3.59Å; M84-L171 VanDerWaalsContact SD-CD1 3.59Å; M84-L171 HydrophobicContact SD-CG 4.23Å; M92-L171 HydrophobicContact CE-CD1 3.78Å; M92-L171 HydrophobicContact SD-CD1 3.35Å; M92-L171 WeakPolarHBondContact SD-CD1 3.18Å; I158-L171 HydrophobicContact CD1-CD1 3.47Å; I158-L171 VanDerWaalsContact CD1-CD1 3.47Å; I158-L171 HydrophobicContact CD1-CD2 3.57Å; I158-L171 HydrophobicContact CD1-CG 3.57Å; N167-L171 PolarHBondContact O-N 3.04Å; A168-L171 PolarHBondContact O-N 3.28Å; L171-I173 VanDerWaalsContact C-N 3.32Å; L171-I173 PolarHBondContact O-N 3.02Å; L171-V174 PolarHBondContact O-N 2.96Å; L171-S175 WeakPolarHBondContact O-CB 3.43Å; L171-S175 PolarHBondContact O-N 2.89Å
172F84.9Confident82.3Confident46 Ų4633.7 Ų33.720%0.20216%0.162CC..Hα-helixtrans-60.6-44175.5-177.5-100.3000111.5K19 I81 M84 A168 P169 K170 S175 L176K19-F172 HydrophobicContact CD-CD1 3.82Å; K19-F172 HydrophobicContact CD-CE1 3.83Å; K19-F172 HydrophobicContact CG-CD1 4.19Å; K19-F172 HydrophobicContact CG-CE1 4.38Å; I81-F172 HydrophobicContact CG2-CD2 4.04Å; M84-F172 HydrophobicContact CE-CB 4.36Å; A168-F172 PolarHBondContact O-N 2.91Å; A168-F172 VanDerWaalsContact O-N 3.11Å; P169-F172 WeakPolarHBondContact O-CB 3.24Å; P169-F172 PolarHBondContact O-N 3.06Å; K170-F172 VanDerWaalsContact C-N 3.34Å; F172-S175 PolarHBondContact O-N 3.5Å; F172-L176 PolarHBondContact O-N 2.91Å
173I88.2Confident82.9Confident16 Ų1635.1 Ų35.18%0.08217%0.167CC..Hα-helixtrans-59.3-47.1174.8-74.3165.6000111.2N18 F22 W150 P169 K170 L171 S175 L176 Y177N18-I173 HydrophobicContact CB-CD1 4.04Å; F22-I173 HydrophobicContact CB-CG1 4.34Å; F22-I173 HydrophobicContact CB-CG2 4.31Å; F22-I173 HydrophobicContact CD1-CB 4.3Å; F22-I173 HydrophobicContact CD1-CG1 4.27Å; F22-I173 HydrophobicContact CD1-CG2 3.73Å; F22-I173 HydrophobicContact CD2-CG2 3.52Å; F22-I173 HydrophobicContact CE1-CG2 3.88Å; F22-I173 VanDerWaalsContact CE1-O 3.28Å; F22-I173 WeakPolarHBondContact CE1-O 3.28Å; F22-I173 HydrophobicContact CE2-CG2 3.72Å; F22-I173 HydrophobicContact CG-CB 4.42Å; F22-I173 HydrophobicContact CG-CG1 4.29Å; F22-I173 HydrophobicContact CG-CG2 3.56Å; F22-I173 HydrophobicContact CZ-CG2 3.93Å; W150-I173 HydrophobicContact CH2-CG2 3.79Å; W150-I173 HydrophobicContact CZ2-CG2 4.42Å; P169-I173 WeakPolarHBondContact O-CG1 3.31Å; P169-I173 PolarHBondContact O-N 3.17Å; K170-I173 PolarHBondContact O-N 3.35Å; L171-I173 VanDerWaalsContact C-N 3.32Å; L171-I173 PolarHBondContact O-N 3.02Å; I173-S175 VanDerWaalsContact C-N 3.32Å; I173-S175 PolarHBondContact O-N 2.99Å; I173-L176 PolarHBondContact O-N 3.21Å; I173-Y177 WeakPolarHBondContact O-CB 3.46Å; I173-Y177 PolarHBondContact O-N 3.43Å
174V89.2Confident83.9Confident3 Ų333.6 Ų33.62%0.01816%0.159CC..Hα-helixtrans-65.7-34.1177.9164.40000112.5W150 A151 L154 K170 L171 Y177 W178W150-V174 HydrophobicContact CD2-CG2 3.77Å; W150-V174 HydrophobicContact CE3-CG2 3.93Å; W150-V174 HydrophobicContact CG-CG2 4.39Å; W150-V174 HydrophobicContact CH2-CG2 4.05Å; W150-V174 HydrophobicContact CZ2-CG2 3.89Å; W150-V174 HydrophobicContact CZ3-CG2 4.07Å; A151-V174 HydrophobicContact CB-CG1 3.78Å; L154-V174 HydrophobicContact CD1-CB 4.06Å; L154-V174 HydrophobicContact CD1-CG2 3.34Å; K170-V174 PolarHBondContact O-N 3.44Å; L171-V174 PolarHBondContact O-N 2.96Å; V174-Y177 WeakPolarHBondContact O-CB 3.27Å; V174-Y177 PolarHBondContact O-N 3.38Å; V174-W178 WeakPolarHBondContact O-CB 2.83Å; V174-W178 PolarHBondContact O-N 2.81Å
175S87.7Confident85Confident17 Ų1729.3 Ų29.312%0.11914%0.136CC..Hα-helixtrans-67-41.2173.6173.40000112.1C77 I81 L171 F172 I173 Y177 W178 H179C77-S175 VanDerWaalsContact SG-CB 3.59Å; C77-S175 PolarHBondContact SG-OG 3.41Å; I81-S175 VanDerWaalsContact CG1-CB 3.41Å; I81-S175 VanDerWaalsContact CG1-OG 3.29Å; I81-S175 WeakPolarHBondContact CG1-OG 3.3Å; L171-S175 WeakPolarHBondContact O-CB 3.43Å; L171-S175 PolarHBondContact O-N 2.89Å; F172-S175 PolarHBondContact O-N 3.5Å; I173-S175 VanDerWaalsContact C-N 3.32Å; I173-S175 PolarHBondContact O-N 2.99Å; S175-Y177 VanDerWaalsContact C-N 3.33Å; S175-W178 PolarHBondContact O-N 3.37Å; S175-H179 PolarHBondContact O-N 3.04Å
176L88.4Confident86.1Confident34 Ų3427.5 Ų27.518%0.17813%0.132CC..Hα-helixtrans-65.7-39.1175.2-17567.5000111.4F22 W23 I26 F172 I173 H179 F180F22-L176 HydrophobicContact CD1-CD2 3.91Å; F22-L176 HydrophobicContact CE1-CB 3.96Å; F22-L176 HydrophobicContact CE1-CD2 3.91Å; F22-L176 HydrophobicContact CE1-CG 4.04Å; W23-L176 HydrophobicContact CD2-CD2 4.24Å; W23-L176 HydrophobicContact CH2-CD1 4.26Å; W23-L176 HydrophobicContact CH2-CD2 4.45Å; W23-L176 HydrophobicContact CZ2-CD1 4.05Å; W23-L176 HydrophobicContact CZ2-CD2 3.8Å; I26-L176 HydrophobicContact CD1-CD2 3.81Å; I26-L176 HydrophobicContact CD1-CG 3.76Å; F172-L176 PolarHBondContact O-N 2.91Å; I173-L176 PolarHBondContact O-N 3.21Å; L176-H179 PolarHBondContact O-N 3.37Å; L176-F180 PolarHBondContact O-N 2.95Å
177Y90.7Very high86.9Confident11 Ų1126.2 Ų26.24%0.04313%0.129CC..Hα-helixtrans-57.6-48.8171.4-174.9-106.9000111.6F22 F25 H143 G147 I173 V174 S175 H179 F180 L181F22-Y177 HydrophobicContact CE2-CD2 4.22Å; F22-Y177 AromaticContact CZ-CD2 3.9Å; F22-Y177 HydrophobicContact CZ-CD2 3.9Å; F22-Y177 HydrophobicContact CZ-CG 4.18Å; F25-Y177 HydrophobicContact CE1-CD2 4.45Å; F25-Y177 HydrophobicContact CE1-CE2 4.24Å; H143-Y177 PolarHBondContact CD2-OH 3.47Å; H143-Y177 AromaticContact CE1-CE2 3.37Å; H143-Y177 WeakPolarHBondContact CE1-CE2 3.47Å; H143-Y177 AromaticContact CE1-CZ 3.42Å; H143-Y177 VanDerWaalsContact CE1-CZ 3.42Å; H143-Y177 PolarHBondContact CE1-OH 2.91Å; H143-Y177 VanDerWaalsContact CG-OH 3.31Å; H143-Y177 AromaticContact ND1-CZ 4Å; H143-Y177 PolarHBondContact ND1-OH 3.25Å; H143-Y177 AromaticContact NE2-CE2 3.37Å; H143-Y177 WeakPolarHBondContact NE2-CE2 3.22Å; H143-Y177 AromaticContact NE2-CZ 3.44Å; H143-Y177 PolarHBondContact NE2-OH 3.15Å; H143-Y177 PolarHBondContact O-OH 2.64Å; H143-Y177 VanDerWaalsContact O-OH 3.11Å; G147-Y177 VanDerWaalsContact CA-CE1 3.49Å; I173-Y177 WeakPolarHBondContact O-CB 3.46Å; I173-Y177 PolarHBondContact O-N 3.43Å; V174-Y177 WeakPolarHBondContact O-CB 3.27Å; V174-Y177 PolarHBondContact O-N 3.38Å; S175-Y177 VanDerWaalsContact C-N 3.33Å; Y177-H179 VanDerWaalsContact C-N 3.35Å; Y177-H179 PolarHBondContact O-N 3.38Å; Y177-F180 WeakPolarHBondContact O-CB 3.14Å; Y177-F180 PolarHBondContact O-N 2.84Å; Y177-F180 VanDerWaalsContact O-N 3.13Å; Y177-L181 HydrophobicContact CD1-CD1 3.95Å; Y177-L181 HydrophobicContact CD1-CG 4.27Å; Y177-L181 HydrophobicContact CE1-CD1 3.58Å; Y177-L181 HydrophobicContact CE1-CD2 4.14Å; Y177-L181 HydrophobicContact CE1-CG 3.97Å; Y177-L181 WeakPolarHBondContact O-CG 3.2Å; Y177-L181 PolarHBondContact O-N 2.9Å
178W90.9Very high87.4Confident6 Ų625.9 Ų25.92%0.02313%0.128CC..Hα-helixtrans-59.6-46.1179.5-164.4-81.8000111.6T99 L100 I148 V174 S175 F180 L181 D182T99-W178 HydrophobicContact CG2-CD2 4.05Å; T99-W178 HydrophobicContact CG2-CG 4.27Å; T99-W178 HydrophobicContact CG2-CZ2 4.06Å; L100-W178 HydrophobicContact CD2-CH2 4.04Å; L100-W178 HydrophobicContact CD2-CZ3 3.75Å; I148-W178 HydrophobicContact CD1-CH2 4.28Å; I148-W178 HydrophobicContact CG1-CH2 3.65Å; I148-W178 HydrophobicContact CG1-CZ3 3.67Å; V174-W178 WeakPolarHBondContact O-CB 2.83Å; V174-W178 PolarHBondContact O-N 2.81Å; S175-W178 PolarHBondContact O-N 3.37Å; W178-F180 VanDerWaalsContact C-N 3.26Å; W178-F180 PolarHBondContact O-N 2.73Å; W178-L181 HydrophobicContact CE3-CD1 4.43Å; W178-L181 WeakPolarHBondContact O-CB 3.45Å; W178-L181 PolarHBondContact O-N 3.15Å; W178-L181 VanDerWaalsContact O-N 3.15Å; W178-D182 PolarHBondContact NE1-OD1 3.39Å; W178-D182 PolarHBondContact O-N 2.76Å; W178-D182 VanDerWaalsContact O-N 3.11Å; W178-D182 VanDerWaalsContact O-OD1 3.1Å
179H89.6Confident87.7Confident100 Ų10026.9 Ų26.946%0.46313%0.132SC..Hα-helixtrans-61.6-36.4176.8-169.960000112.6S74 S175 L176 Y177 D182 V183S74-H179 PolarHBondContact OG-ND1 3.38Å; S175-H179 PolarHBondContact O-N 3.04Å; L176-H179 PolarHBondContact O-N 3.37Å; Y177-H179 VanDerWaalsContact C-N 3.35Å; Y177-H179 PolarHBondContact O-N 3.38Å; H179-D182 PolarHBondContact O-N 3.36Å; H179-V183 WeakPolarHBondContact O-CG2 3.33Å; H179-V183 PolarHBondContact O-N 3.28Å
180F89.5Confident87.8Confident19 Ų1929.6 Ų29.68%0.08315%0.148CC..Hα-helixtrans-64.6-41.7174.6174.8-102.1000112.5I26 E29 F30 L176 Y177 W178 D182 V183 V184I26-F180 HydrophobicContact CG2-CD2 3.56Å; I26-F180 HydrophobicContact CG2-CE2 3.8Å; I26-F180 HydrophobicContact CG2-CG 3.97Å; I26-F180 HydrophobicContact CG2-CZ 4.4Å; E29-F180 HydrophobicContact CB-CE1 3.82Å; E29-F180 HydrophobicContact CB-CZ 4.06Å; F30-F180 HydrophobicContact CB-CE2 3.86Å; F30-F180 HydrophobicContact CB-CZ 3.94Å; F30-F180 AromaticContact CD2-CE2 3.95Å; F30-F180 HydrophobicContact CD2-CE2 3.95Å; F30-F180 HydrophobicContact CD2-CZ 4.44Å; F30-F180 HydrophobicContact CG-CE2 4.39Å; L176-F180 PolarHBondContact O-N 2.95Å; Y177-F180 WeakPolarHBondContact O-CB 3.14Å; Y177-F180 PolarHBondContact O-N 2.84Å; Y177-F180 VanDerWaalsContact O-N 3.13Å; W178-F180 VanDerWaalsContact C-N 3.26Å; W178-F180 PolarHBondContact O-N 2.73Å; F180-D182 VanDerWaalsContact C-N 3.3Å; F180-D182 PolarHBondContact O-N 2.97Å; F180-V183 PolarHBondContact O-N 3.27Å; F180-V184 HydrophobicContact CD1-CG2 4.4Å; F180-V184 HydrophobicContact CE1-CG2 3.86Å; F180-V184 HydrophobicContact CE2-CG2 4Å; F180-V184 HydrophobicContact CZ-CG2 3.63Å; F180-V184 PolarHBondContact O-N 2.89Å
181L91Very high87.5Confident2 Ų227.4 Ų27.41%0.0114%0.142CC..Hα-helixtrans-55.8-47.8173.4-65.4176000110.9H140 H143 V144 Y177 W178 V183 V184 W185H140-L181 PolarHBondContact CE1-O 3.27Å; H143-L181 WeakPolarHBondContact ND1-CD2 3.33Å; V144-L181 HydrophobicContact CB-CD1 4.36Å; V144-L181 HydrophobicContact CG1-CD1 4.43Å; V144-L181 HydrophobicContact CG2-CB 4.38Å; V144-L181 HydrophobicContact CG2-CD1 4.09Å; V144-L181 HydrophobicContact CG2-CD2 4.03Å; V144-L181 HydrophobicContact CG2-CG 4.41Å; Y177-L181 HydrophobicContact CD1-CD1 3.95Å; Y177-L181 HydrophobicContact CD1-CG 4.27Å; Y177-L181 HydrophobicContact CE1-CD1 3.58Å; Y177-L181 HydrophobicContact CE1-CD2 4.14Å; Y177-L181 HydrophobicContact CE1-CG 3.97Å; Y177-L181 WeakPolarHBondContact O-CG 3.2Å; Y177-L181 PolarHBondContact O-N 2.9Å; W178-L181 HydrophobicContact CE3-CD1 4.43Å; W178-L181 WeakPolarHBondContact O-CB 3.45Å; W178-L181 PolarHBondContact O-N 3.15Å; W178-L181 VanDerWaalsContact O-N 3.15Å; L181-V183 VanDerWaalsContact C-N 3.31Å; L181-V183 PolarHBondContact O-N 3.38Å; L181-V184 PolarHBondContact O-N 2.82Å; L181-W185 PolarHBondContact O-N 3.24Å
182D90.4Very high86.9Confident4 Ų427.3 Ų27.32%0.02114%0.141CC..Hα-helixtrans-61.9-39.2-179.3-62.68.2000111.5L70 S74 W178 H179 F180 W185 V186L70-D182 HydrophobicContact CD2-CB 3.79Å; L70-D182 WeakPolarHBondContact CD2-OD1 3.41Å; S74-D182 WeakPolarHBondContact CB-OD2 3.29Å; S74-D182 PolarHBondContact N-OD2 2.81Å; S74-D182 PolarHBondContact OG-OD2 2.79Å; W178-D182 PolarHBondContact NE1-OD1 3.39Å; W178-D182 PolarHBondContact O-N 2.76Å; W178-D182 VanDerWaalsContact O-N 3.11Å; W178-D182 VanDerWaalsContact O-OD1 3.1Å; H179-D182 PolarHBondContact O-N 3.36Å; F180-D182 VanDerWaalsContact C-N 3.3Å; F180-D182 PolarHBondContact O-N 2.97Å; D182-W185 WeakPolarHBondContact O-CB 3.37Å; D182-W185 PolarHBondContact O-N 2.69Å; D182-V186 WeakPolarHBondContact O-CG2 3.48Å; D182-V186 PolarHBondContact O-N 3.42Å
183V89.1Confident86.2Confident52 Ų5225.3 Ų25.332%0.31513%0.132SC..Hα-helixtrans-64.2-46.3175.8169.90000111.5H179 F180 L181 W185 V186 F187H179-V183 WeakPolarHBondContact O-CG2 3.33Å; H179-V183 PolarHBondContact O-N 3.28Å; F180-V183 PolarHBondContact O-N 3.27Å; L181-V183 VanDerWaalsContact C-N 3.31Å; L181-V183 PolarHBondContact O-N 3.38Å; V183-W185 VanDerWaalsContact C-N 3.26Å; V183-W185 PolarHBondContact O-N 3.35Å; V183-V186 PolarHBondContact O-N 3.45Å; V183-F187 HydrophobicContact CG1-CD2 3.96Å; V183-F187 HydrophobicContact CG1-CE2 3.6Å; V183-F187 WeakPolarHBondContact O-CD2 3.48Å; V183-F187 PolarHBondContact O-N 3.21Å
184V90.9Very high85.1Confident4 Ų429.6 Ų29.62%0.02415%0.153CC..Hα-helixtrans-59.5-41.8175.4172.90000110.1F33 F37 F180 L181 V186 F187 I188F33-V184 HydrophobicContact CB-CG1 4.36Å; F33-V184 HydrophobicContact CD1-CG1 3.82Å; F33-V184 HydrophobicContact CD2-CG1 4.29Å; F33-V184 HydrophobicContact CD2-CG2 4.29Å; F33-V184 HydrophobicContact CE1-CG1 4.18Å; F33-V184 HydrophobicContact CG-CG1 3.89Å; F33-V184 HydrophobicContact CG-CG2 4.46Å; F37-V184 HydrophobicContact CE2-CG1 4.35Å; F180-V184 HydrophobicContact CD1-CG2 4.4Å; F180-V184 HydrophobicContact CE1-CG2 3.86Å; F180-V184 HydrophobicContact CE2-CG2 4Å; F180-V184 HydrophobicContact CZ-CG2 3.63Å; F180-V184 PolarHBondContact O-N 2.89Å; L181-V184 PolarHBondContact O-N 2.82Å; V184-V186 PolarHBondContact O-N 3.3Å; V184-F187 WeakPolarHBondContact O-CB 3.48Å; V184-F187 PolarHBondContact O-N 3.48Å; V184-F187 VanDerWaalsContact O-N 3.13Å; V184-I188 HydrophobicContact CG1-CD1 4.18Å; V184-I188 HydrophobicContact CG1-CG1 4.4Å; V184-I188 WeakPolarHBondContact O-CG1 3.34Å; V184-I188 PolarHBondContact O-N 2.99Å
185W90.1Very high83.8Confident4 Ų432.2 Ų32.22%0.01517%0.166CC..Hα-helixtrans-60.1-44.7176.9-178.4-107.2000112.6V63 T67 L70 F106 L137 H140 L181 D182 V183 F187 I188 F189V63-W185 HydrophobicContact CG1-CZ2 4.07Å; T67-W185 PolarHBondContact OG1-NE1 3.38Å; L70-W185 HydrophobicContact CD2-CB 4.32Å; L70-W185 HydrophobicContact CD2-CG 4.41Å; F106-W185 HydrophobicContact CE1-CE3 4.41Å; F106-W185 HydrophobicContact CE1-CZ3 4.49Å; F106-W185 AromaticContact CE2-CD2 3.77Å; F106-W185 HydrophobicContact CE2-CD2 3.77Å; F106-W185 AromaticContact CE2-CE2 3.33Å; F106-W185 HydrophobicContact CE2-CE3 4.15Å; F106-W185 HydrophobicContact CE2-CG 4.42Å; F106-W185 AromaticContact CE2-CH2 3.69Å; F106-W185 HydrophobicContact CE2-CH2 3.69Å; F106-W185 AromaticContact CE2-CZ2 3.32Å; F106-W185 HydrophobicContact CE2-CZ2 3.32Å; F106-W185 HydrophobicContact CE2-CZ3 4.1Å; F106-W185 AromaticContact CE2-NE1 3.8Å; F106-W185 AromaticContact CZ-CD2 3.47Å; F106-W185 HydrophobicContact CZ-CD2 3.47Å; F106-W185 VanDerWaalsContact CZ-CD2 3.47Å; F106-W185 AromaticContact CZ-CE2 3.54Å; F106-W185 AromaticContact CZ-CE3 3.45Å; F106-W185 HydrophobicContact CZ-CE3 3.45Å; F106-W185 VanDerWaalsContact CZ-CE3 3.45Å; F106-W185 HydrophobicContact CZ-CG 4.22Å; F106-W185 AromaticContact CZ-CH2 3.5Å; F106-W185 HydrophobicContact CZ-CH2 3.5Å; F106-W185 AromaticContact CZ-CZ2 3.59Å; F106-W185 HydrophobicContact CZ-CZ2 3.59Å; F106-W185 AromaticContact CZ-CZ3 3.45Å; F106-W185 HydrophobicContact CZ-CZ3 3.45Å; F106-W185 VanDerWaalsContact CZ-CZ3 3.45Å; L137-W185 HydrophobicContact CD1-CH2 3.87Å; L137-W185 HydrophobicContact CD1-CZ3 3.43Å; L137-W185 VanDerWaalsContact CD1-CZ3 3.43Å; H140-W185 AromaticContact CD2-CE3 3.48Å; H140-W185 VanDerWaalsContact CD2-CE3 3.48Å; H140-W185 AromaticContact CD2-CZ3 3.92Å; H140-W185 AromaticContact NE2-CE3 3.47Å; L181-W185 PolarHBondContact O-N 3.24Å; D182-W185 WeakPolarHBondContact O-CB 3.37Å; D182-W185 PolarHBondContact O-N 2.69Å; V183-W185 VanDerWaalsContact C-N 3.26Å; V183-W185 PolarHBondContact O-N 3.35Å; W185-F187 PolarHBondContact O-N 3.18Å; W185-I188 HydrophobicContact CE3-CB 4.25Å; W185-I188 HydrophobicContact CE3-CD1 4.21Å; W185-I188 HydrophobicContact CE3-CG2 4.38Å; W185-I188 HydrophobicContact CZ3-CG2 4.18Å; W185-I188 CarbonylContact O-C 3.56Å; W185-I188 PolarHBondContact O-N 2.97Å; W185-F189 WeakPolarHBondContact O-CB 3.29Å; W185-F189 PolarHBondContact O-N 3.45Å
186V87.6Confident82.3Confident49 Ų4931.8 Ų31.830%0.29717%0.165SC..Hα-helixtrans-58.1-38.7175.9172.10000111.3L71 D182 V183 V184 T190L71-V186 HydrophobicContact CD1-CG2 4.4Å; L71-V186 HydrophobicContact CD2-CG2 3.63Å; L71-V186 HydrophobicContact CG-CG2 4.26Å; D182-V186 WeakPolarHBondContact O-CG2 3.48Å; D182-V186 PolarHBondContact O-N 3.42Å; V183-V186 PolarHBondContact O-N 3.45Å; V184-V186 PolarHBondContact O-N 3.3Å; V186-T190 VanDerWaalsContact O-CB 3.32Å; V186-T190 WeakPolarHBondContact O-CB 3.47Å; V186-T190 PolarHBondContact O-N 2.97Å; V186-T190 PolarHBondContact O-OG1 2.6Å
187F86.2Confident80.5Confident108 Ų10834.8 Ų34.847%0.47418%0.179SC..Hα-helixtrans-67.2-40.4173.5-73.4-64.9000112.4F37 V183 V184 W185 T190 A191F37-F187 HydrophobicContact CE1-CB 4.21Å; F37-F187 HydrophobicContact CE2-CB 4.18Å; F37-F187 HydrophobicContact CZ-CB 3.64Å; V183-F187 HydrophobicContact CG1-CD2 3.96Å; V183-F187 HydrophobicContact CG1-CE2 3.6Å; V183-F187 WeakPolarHBondContact O-CD2 3.48Å; V183-F187 PolarHBondContact O-N 3.21Å; V184-F187 WeakPolarHBondContact O-CB 3.48Å; V184-F187 PolarHBondContact O-N 3.48Å; V184-F187 VanDerWaalsContact O-N 3.13Å; W185-F187 PolarHBondContact O-N 3.18Å; F187-T190 PolarHBondContact O-N 3.17Å; F187-A191 WeakPolarHBondContact O-CB 3.15Å; F187-A191 PolarHBondContact O-N 2.91Å
188I86.6Confident78.5Confident1 Ų139.5 Ų39.51%0.00521%0.209CC..Hα-helixtrans-62.2-50175.3-64.3178000109.5F37 L136 L137 H140 V184 W185 T190 A191 V192 Y193F37-I188 HydrophobicContact CE1-CG1 4.03Å; F37-I188 HydrophobicContact CE2-CG1 4.23Å; F37-I188 HydrophobicContact CZ-CB 4.21Å; F37-I188 HydrophobicContact CZ-CG1 3.39Å; L136-I188 HydrophobicContact CD2-CG1 4.36Å; L136-I188 HydrophobicContact CG-CD1 4.38Å; L136-I188 HydrophobicContact CG-CG1 4.41Å; L137-I188 HydrophobicContact CD1-CG2 4.28Å; H140-I188 HydrophobicContact CB-CD1 3.58Å; V184-I188 HydrophobicContact CG1-CD1 4.18Å; V184-I188 HydrophobicContact CG1-CG1 4.4Å; V184-I188 WeakPolarHBondContact O-CG1 3.34Å; V184-I188 PolarHBondContact O-N 2.99Å; W185-I188 HydrophobicContact CE3-CB 4.25Å; W185-I188 HydrophobicContact CE3-CD1 4.21Å; W185-I188 HydrophobicContact CE3-CG2 4.38Å; W185-I188 HydrophobicContact CZ3-CG2 4.18Å; W185-I188 CarbonylContact O-C 3.56Å; W185-I188 PolarHBondContact O-N 2.97Å; I188-T190 VanDerWaalsContact C-N 3.31Å; I188-T190 PolarHBondContact O-N 2.77Å; I188-A191 PolarHBondContact O-N 3.28Å; I188-V192 HydrophobicContact CG2-CG2 4.07Å; I188-V192 WeakPolarHBondContact O-CB 3.49Å; I188-V192 WeakPolarHBondContact O-CG2 3.31Å; I188-V192 PolarHBondContact O-N 2.83Å; I188-Y193 HydrophobicContact CG2-CE2 4.46Å
189F83.5Confident76.4Confident21 Ų2145.6 Ų45.69%0.09223%0.233CC..Iπ-helixtrans-53.6-49.6177.2-179.6-98.2000111.3V63 L64 T67 W185 Y193 M194V63-F189 HydrophobicContact CG1-CD2 3.82Å; V63-F189 HydrophobicContact CG1-CE2 4Å; L64-F189 HydrophobicContact CD2-CE1 3.8Å; L64-F189 HydrophobicContact CD2-CE2 3.91Å; L64-F189 HydrophobicContact CD2-CZ 3.18Å; L64-F189 HydrophobicContact CG-CE2 3.97Å; L64-F189 HydrophobicContact CG-CZ 3.63Å; T67-F189 HydrophobicContact CG2-CB 4.47Å; T67-F189 HydrophobicContact CG2-CD1 4.45Å; T67-F189 HydrophobicContact CG2-CG 4.2Å; W185-F189 WeakPolarHBondContact O-CB 3.29Å; W185-F189 PolarHBondContact O-N 3.45Å; F189-Y193 HydrophobicContact CD2-CD2 4.17Å; F189-Y193 HydrophobicContact CD2-CG 4.25Å; F189-Y193 HydrophobicContact CE2-CG 4.42Å; F189-Y193 WeakPolarHBondContact O-CA 3.09Å; F189-Y193 VanDerWaalsContact O-CB 3.3Å; F189-Y193 WeakPolarHBondContact O-CB 3.4Å; F189-Y193 PolarHBondContact O-N 3.12Å; F189-M194 HydrophobicContact CE1-CG 4.02Å; F189-M194 HydrophobicContact CZ-CG 4.49Å; F189-M194 PolarHBondContact O-N 3.23Å
190T81Confident74Confident62 Ų6243 Ų4338%0.3823%0.226SC..Iπ-helixtrans-70.1-46.1-178.7-52.90000112V186 F187 I188 M194 I195V186-T190 VanDerWaalsContact O-CB 3.32Å; V186-T190 WeakPolarHBondContact O-CB 3.47Å; V186-T190 PolarHBondContact O-N 2.97Å; V186-T190 PolarHBondContact O-OG1 2.6Å; F187-T190 PolarHBondContact O-N 3.17Å; I188-T190 VanDerWaalsContact C-N 3.31Å; I188-T190 PolarHBondContact O-N 2.77Å; T190-M194 WeakPolarHBondContact O-CB 3.28Å; T190-I195 PolarHBondContact O-N 2.8Å
191A77Confident71.4Confident14 Ų1448.2 Ų48.212%0.11629%0.285CS..Iπ-helixtrans-76.2-32.4-173.700000113.3F37 F187 I188 I195F37-A191 HydrophobicContact CD1-CB 4.13Å; F37-A191 HydrophobicContact CE1-CB 3.9Å; F187-A191 WeakPolarHBondContact O-CB 3.15Å; F187-A191 PolarHBondContact O-N 2.91Å; I188-A191 PolarHBondContact O-N 3.28Å; A191-I195 WeakPolarHBondContact O-CB 3.29Å
192V72Confident70.4Confident0 Ų050.6 Ų50.60%030%0.299CS..Iπ-helixtrans-94.3-58.6-179.6-176.60000110.4L40 F133 L136 I188 G196L40-V192 HydrophobicContact CD2-CG2 3.71Å; F133-V192 HydrophobicContact CD2-CB 4.37Å; F133-V192 HydrophobicContact CD2-CG1 3.5Å; F133-V192 VanDerWaalsContact CD2-CG1 3.5Å; F133-V192 HydrophobicContact CD2-CG2 3.98Å; F133-V192 HydrophobicContact CE2-CB 4.23Å; F133-V192 HydrophobicContact CE2-CG1 3.33Å; F133-V192 HydrophobicContact CE2-CG2 4.15Å; F133-V192 HydrophobicContact CZ-CG1 4.32Å; L136-V192 HydrophobicContact CD2-CG2 4.49Å; I188-V192 HydrophobicContact CG2-CG2 4.07Å; I188-V192 WeakPolarHBondContact O-CB 3.49Å; I188-V192 WeakPolarHBondContact O-CG2 3.31Å; I188-V192 PolarHBondContact O-N 2.83Å; V192-G196 VanDerWaalsContact O-CA 3.25Å; V192-G196 WeakPolarHBondContact O-CA 3.5Å; V192-G196 PolarHBondContact O-N 2.77Å
193Y71.5Confident69.3Low4 Ų453 Ų532%0.01631%0.314CS..Iπ-helixtrans-78.9-40.2-166.3-64.2-95.2000112F58 L60 V63 E113 I188 F189 M197F58-Y193 AromaticContact CD1-CD1 3.66Å; F58-Y193 HydrophobicContact CD1-CD1 3.66Å; F58-Y193 AromaticContact CD1-CE1 3.58Å; F58-Y193 HydrophobicContact CD1-CE1 3.58Å; F58-Y193 HydrophobicContact CE1-CD1 4.12Å; F58-Y193 AromaticContact CE1-CE1 3.9Å; F58-Y193 HydrophobicContact CE1-CE1 3.9Å; L60-Y193 HydrophobicContact CD2-CD1 4.48Å; V63-Y193 HydrophobicContact CB-CE1 4.4Å; V63-Y193 HydrophobicContact CG1-CD1 4.24Å; V63-Y193 HydrophobicContact CG1-CD2 4.46Å; V63-Y193 HydrophobicContact CG1-CE1 4.04Å; V63-Y193 HydrophobicContact CG1-CE2 4.24Å; V63-Y193 HydrophobicContact CG1-CG 4.44Å; V63-Y193 HydrophobicContact CG2-CD1 4.47Å; V63-Y193 HydrophobicContact CG2-CE1 3.91Å; E113-Y193 WeakPolarHBondContact OE1-CE1 3.24Å; E113-Y193 PolarHBondContact OE1-OH 3.46Å; E113-Y193 PolarHBondContact OE2-OH 3.26Å; E113-Y193 VanDerWaalsContact OE2-OH 3.12Å; I188-Y193 HydrophobicContact CG2-CE2 4.46Å; F189-Y193 HydrophobicContact CD2-CD2 4.17Å; F189-Y193 HydrophobicContact CD2-CG 4.25Å; F189-Y193 HydrophobicContact CE2-CG 4.42Å; F189-Y193 WeakPolarHBondContact O-CA 3.09Å; F189-Y193 VanDerWaalsContact O-CB 3.3Å; F189-Y193 WeakPolarHBondContact O-CB 3.4Å; F189-Y193 PolarHBondContact O-N 3.12Å; Y193-M197 PolarHBondContact O-N 3.3Å
194M64.3Low68.2Low107 Ų10753.1 Ų53.153%0.52731%0.314SS..Iπ-helixtrans-76.3-46.6176.9-72.7-106.4-55.800112.8F189 T190 M197 V198F189-M194 HydrophobicContact CE1-CG 4.02Å; F189-M194 HydrophobicContact CZ-CG 4.49Å; F189-M194 PolarHBondContact O-N 3.23Å; T190-M194 WeakPolarHBondContact O-CB 3.28Å; M194-M197 WeakPolarHBondContact O-CB 3.39Å; M194-M197 PolarHBondContact O-N 3.05Å; M194-V198 PolarHBondContact O-N 2.9Å
195I61Low66.9Low57 Ų5755.9 Ų55.929%0.29233%0.331SS..Hα-helixtrans-69.9-36.1178.9-60178.5000110.7Q44 T190 A191 M197 V198 Y199Q44-I195 VanDerWaalsContact NE2-CG2 3.34Å; T190-I195 PolarHBondContact O-N 2.8Å; A191-I195 WeakPolarHBondContact O-CB 3.29Å; I195-M197 PolarHBondContact O-N 3.49Å; I195-V198 PolarHBondContact O-N 3.45Å; I195-Y199 HydrophobicContact CG2-CD2 3.58Å; I195-Y199 HydrophobicContact CG2-CE2 3.61Å; I195-Y199 PolarHBondContact O-N 3.37Å
196G57Low65.5Low8 Ų859.2 Ų59.28%0.08235%0.35CS..Hα-helixtrans-55.6-35.5172.400000112.5M53 V192M53-G196 WeakPolarHBondContact CE-O 3.4Å; V192-G196 VanDerWaalsContact O-CA 3.25Å; V192-G196 WeakPolarHBondContact O-CA 3.5Å; V192-G196 PolarHBondContact O-N 2.77Å
197M51.2Low64Low98 Ų9859.9 Ų59.948%0.48335%0.354SS..Hα-helixtrans-68.4-41.2171.9-81.4-179.852.800113.7L60 Y193 M194 I195 Y199 S200L60-M197 HydrophobicContact CD1-CG 3.78Å; L60-M197 HydrophobicContact CD1-SD 3.31Å; L60-M197 WeakPolarHBondContact CD1-SD 3.36Å; L60-M197 HydrophobicContact CD2-SD 4.09Å; L60-M197 HydrophobicContact CG-SD 4.34Å; Y193-M197 PolarHBondContact O-N 3.3Å; M194-M197 WeakPolarHBondContact O-CB 3.39Å; M194-M197 PolarHBondContact O-N 3.05Å; I195-M197 PolarHBondContact O-N 3.49Å; M197-Y199 PolarHBondContact O-N 2.94Å; M197-S200 PolarHBondContact O-N 3.45Å
198V47.7Very low62.4Low110 Ų11056.4 Ų56.467%0.66735%0.345SS*.Hα-helixtrans-69.2-34.6-172.6172.20000112.5M194 I195 S200M194-V198 PolarHBondContact O-N 2.9Å; I195-V198 PolarHBondContact O-N 3.45Å; V198-S200 VanDerWaalsContact C-N 3.3Å
199Y46.8Very low60.5Low133 Ų13360.7 Ų60.752%0.52237%0.371SS..THydrogen-bonded Turntrans-82.4-4.6177.4-78.2-86.2000113.9I195 M197I195-Y199 HydrophobicContact CG2-CD2 3.58Å; I195-Y199 HydrophobicContact CG2-CE2 3.61Å; I195-Y199 PolarHBondContact O-N 3.37Å; M197-Y199 PolarHBondContact O-N 2.94Å
200S40.2Very low58.6Low46 Ų4664 Ų6432%0.32240%0.395SS..THydrogen-bonded Turntrans-95.8-2.2178.7-170.20000114.4M197 V198M197-S200 PolarHBondContact O-N 3.45Å; V198-S200 VanDerWaalsContact C-N 3.3Å
201G33.8Very low56.6Low129 Ų12964.2 Ų64.2100%1.3340%0.396SS*.  trans-111.70175.200000111.5

Retrieved 201 of 201 residues in 125 ms (Link to these results)

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