A0A2K5LCA2_CERAT Loading...

PRA1 family protein

AlphaFold DB , UniProt , Accession A0A2K5LCA2, Species CERAT (Cercocebus atys, Sooty mangabey), Gene ARL6IP5, Length 188 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
1M57.3Low80.6Confident185 Ų18591.5 Ų91.591%0.91149%0.491SS*.  0122.60-74171.1175.800106.8G156M1-G156 WeakPolarHBondContact CE-O 3.37Å
2D72.8Confident80.9Confident143 Ų14393.5 Ų93.577%0.76550%0.502SS*.  trans-76.9139.1-175.6-55.7-41.1000110.4N4D2-N4 PolarHBondContact O-N 3.27Å
3V78.4Confident81.1Confident79 Ų7987.8 Ų87.848%0.47947%0.471SS..BIsolated β-bridgetrans-73.2114.9176179.40000107.7R159 P161 I164V3-R159 WeakPolarHBondContact CA-O 3.46Å; V3-P161 HydrophobicContact CG1-CG 3.89Å; V3-I164 HydrophobicContact CG1-CD1 4.24Å; V3-I164 HydrophobicContact CG2-CD1 3.86Å
4N79.5Confident81.4Confident109 Ų10982.1 Ų82.158%0.58344%0.44SS*.  trans-104.2138.2179.2-110.3-45.2000109.8D2 R159 T160D2-N4 PolarHBondContact O-N 3.27Å; N4-R159 PolarHBondContact N-O 2.88Å; N4-T160 WeakPolarHBondContact O-CA 3.29Å; N4-T160 VanDerWaalsContact O-CG2 3.31Å; N4-T160 WeakPolarHBondContact O-CG2 3.5Å
5I77.3Confident81.3Confident119 Ų11984.1 Ų84.161%0.6144%0.444SS*.PPolyproline II helixtrans-77.4134.1174-61174.4000107.9
6A83Confident80.3Confident8 Ų884.8 Ų84.87%0.06645%0.454CS..PPolyproline II helixtrans-59.6137174.700000109.9Q44 T45 T160A6-Q44 HydrophobicContact CB-CB 4.18Å; A6-T45 WeakPolarHBondContact O-CB 3.23Å; A6-T45 PolarHBondContact O-OG1 2.83Å; A6-T160 HydrophobicContact CB-CG2 4.2Å
7P86.5Confident79.6Confident79 Ų7981.2 Ų81.251%0.51344%0.442SS..PPolyproline II helixtrans-64.5147.9177.627.4-34.2000110.6R9P7-R9 PolarHBondContact O-N 3.17Å; P7-R9 PolarHBondContact O-NE 3.24Å
8L88.2Confident78.6Confident91 Ų9183.8 Ų83.848%0.47647%0.467SS..PPolyproline II helixtrans-62.5125.6172.2-177.268.7000109.3T45 N46 V49L8-T45 HydrophobicContact CB-CG2 3.97Å; L8-T45 HydrophobicContact CD1-CG2 3.98Å; L8-N46 HydrophobicContact CD1-CB 4.36Å; L8-V49 HydrophobicContact CD1-CG2 4.11Å
9R89.2Confident77.9Confident34 Ų3485.3 Ų85.313%0.12847%0.474CS..PPolyproline II helixtrans-83.9150.3178.5-52.2-58170.5171.1-5.1110.7P7 Y42 Y43 N46 E149P7-R9 PolarHBondContact O-N 3.17Å; P7-R9 PolarHBondContact O-NE 3.24Å; R9-Y42 HydrophobicContact CG-CD1 4.41Å; R9-Y42 HydrophobicContact CG-CE1 4.05Å; R9-Y42 PolarHBondContact NE-O 3.04Å; R9-Y43 HydrophobicContact CB-CD1 3.94Å; R9-Y43 HydrophobicContact CB-CE1 4.02Å; R9-Y43 HydrophobicContact CG-CD1 3.77Å; R9-Y43 HydrophobicContact CG-CE1 4.06Å; R9-N46 WeakPolarHBondContact CA-OD1 3.12Å; R9-N46 VanDerWaalsContact CB-OD1 3.3Å; R9-N46 WeakPolarHBondContact CB-OD1 3.34Å; R9-N46 PolarHBondContact N-OD1 3.34Å; R9-N46 PolarHBondContact O-ND2 3.42Å; R9-E149 IonicContact CZ-OE1 3.11Å; R9-E149 VanDerWaalsContact CZ-OE1 3.29Å; R9-E149 IonicContact CZ-OE2 3.29Å; R9-E149 IonicContact NH1-OE1 2.77Å; R9-E149 PolarHBondContact NH1-OE1 2.64Å; R9-E149 IonicContact NH1-OE2 3.69Å; R9-E149 IonicContact NH2-OE1 3.34Å; R9-E149 PolarHBondContact NH2-OE1 3.43Å; R9-E149 IonicContact NH2-OE2 3.05Å; R9-E149 PolarHBondContact NH2-OE2 2.66Å
10A88.1Confident77.7Confident60 Ų6084.8 Ų84.850%0.49647%0.465SS..PPolyproline II helixtrans-59.4140.6176.500000110.7D12 D13 F14A10-D12 VanDerWaalsContact C-N 3.28Å; A10-D12 WeakPolarHBondContact CB-OD1 3.29Å; A10-D12 PolarHBondContact O-N 3.05Å; A10-D13 PolarHBondContact O-N 2.95Å; A10-D13 VanDerWaalsContact O-N 3.07Å; A10-F14 PolarHBondContact O-N 3.26Å
11W86.4Confident77.8Confident100 Ų10083.1 Ų83.138%0.37945%0.453SS..Hα-helixtrans-66.3-28.9-172.2-72.8114.8000113.3D13 F14 F15 V49 V50W11-D13 VanDerWaalsContact C-N 3.26Å; W11-D13 PolarHBondContact O-N 3.46Å; W11-F14 HydrophobicContact CE3-CB 4.35Å; W11-F14 AromaticContact CE3-CD1 3.77Å; W11-F14 HydrophobicContact CE3-CD1 3.77Å; W11-F14 HydrophobicContact CE3-CG 4.38Å; W11-F14 AromaticContact CZ3-CD1 3.66Å; W11-F14 HydrophobicContact CZ3-CD1 3.66Å; W11-F14 AromaticContact CZ3-CE1 3.99Å; W11-F14 HydrophobicContact CZ3-CE1 3.99Å; W11-F14 HydrophobicContact CZ3-CG 4.49Å; W11-F14 PolarHBondContact O-N 3.43Å; W11-F15 HydrophobicContact CB-CD2 4.14Å; W11-F15 HydrophobicContact CB-CE2 4.48Å; W11-F15 HydrophobicContact CD2-CD2 4.4Å; W11-F15 AromaticContact CD2-CE2 3.96Å; W11-F15 HydrophobicContact CD2-CE2 3.96Å; W11-F15 AromaticContact CE3-CD2 3.7Å; W11-F15 HydrophobicContact CE3-CD2 3.7Å; W11-F15 AromaticContact CE3-CE2 3.19Å; W11-F15 HydrophobicContact CE3-CE2 3.19Å; W11-F15 HydrophobicContact CE3-CZ 4.08Å; W11-F15 HydrophobicContact CZ3-CD2 4.46Å; W11-F15 AromaticContact CZ3-CE2 3.64Å; W11-F15 HydrophobicContact CZ3-CE2 3.64Å; W11-F15 HydrophobicContact CZ3-CZ 4.07Å; W11-F15 WeakPolarHBondContact O-CB 3.29Å; W11-F15 WeakPolarHBondContact O-CD2 3.43Å; W11-F15 PolarHBondContact O-N 3.49Å; W11-V49 HydrophobicContact CH2-CG1 4.01Å; W11-V49 HydrophobicContact CZ2-CG1 4.09Å; W11-V50 HydrophobicContact CH2-CG2 4.29Å; W11-V50 HydrophobicContact CZ3-CG2 4.23Å
12D84.1Confident78.9Confident115 Ų11576 Ų7662%0.61542%0.424SS*.Hα-helixtrans-66-26.2173.266.2-53000113A10 R20A10-D12 VanDerWaalsContact C-N 3.28Å; A10-D12 WeakPolarHBondContact CB-OD1 3.29Å; A10-D12 PolarHBondContact O-N 3.05Å; D12-R20 PolarHBondContact O-NH1 3.48Å
13D83Confident79.4Confident20 Ų2080 Ų8011%0.10743%0.428CS..Hα-helixtrans-83.6-30.1173.1-173.752.7000112.8A10 W11 R20 Y42 Y43 R140A10-D13 PolarHBondContact O-N 2.95Å; A10-D13 VanDerWaalsContact O-N 3.07Å; W11-D13 VanDerWaalsContact C-N 3.26Å; W11-D13 PolarHBondContact O-N 3.46Å; D13-R20 IonicContact OD1-NH1 2.59Å; D13-Y42 WeakPolarHBondContact OD2-CE1 3.46Å; D13-Y43 PolarHBondContact O-OH 3.35Å; D13-Y43 VanDerWaalsContact O-OH 3.08Å; D13-Y43 PolarHBondContact OD1-OH 3.26Å; D13-Y43 VanDerWaalsContact OD2-CE1 3.26Å; D13-Y43 WeakPolarHBondContact OD2-CE1 3.31Å; D13-Y43 PolarHBondContact OD2-OH 3.37Å; D13-R140 PolarHBondContact O-NE 3.49Å; D13-R140 PolarHBondContact O-NH2 3.38Å; D13-R140 IonicContact OD1-NH2 3.59Å; D13-R140 PolarHBondContact OD1-NH2 2.87Å; D13-R140 VanDerWaalsContact OD1-NH2 3.11Å
14F85.5Confident79.6Confident8 Ų877.3 Ų77.34%0.03541%0.412CS..Hα-helixtrans-79.5-50179.4-172.8-107.4000112.5A10 W11 Y43 N46 Y47 V50 H136A10-F14 PolarHBondContact O-N 3.26Å; W11-F14 HydrophobicContact CE3-CB 4.35Å; W11-F14 AromaticContact CE3-CD1 3.77Å; W11-F14 HydrophobicContact CE3-CD1 3.77Å; W11-F14 HydrophobicContact CE3-CG 4.38Å; W11-F14 AromaticContact CZ3-CD1 3.66Å; W11-F14 HydrophobicContact CZ3-CD1 3.66Å; W11-F14 AromaticContact CZ3-CE1 3.99Å; W11-F14 HydrophobicContact CZ3-CE1 3.99Å; W11-F14 HydrophobicContact CZ3-CG 4.49Å; W11-F14 PolarHBondContact O-N 3.43Å; F14-Y43 HydrophobicContact CB-CD1 4.43Å; F14-Y43 HydrophobicContact CB-CE1 4.34Å; F14-Y43 AromaticContact CD2-CD1 3.56Å; F14-Y43 HydrophobicContact CD2-CD1 3.56Å; F14-Y43 HydrophobicContact CD2-CD2 4.5Å; F14-Y43 HydrophobicContact CD2-CE1 4.14Å; F14-Y43 AromaticContact CD2-CG 3.77Å; F14-Y43 HydrophobicContact CD2-CG 3.77Å; F14-Y43 HydrophobicContact CE2-CD1 4.36Å; F14-Y43 HydrophobicContact CE2-CG 4.16Å; F14-Y43 HydrophobicContact CG-CD1 4.48Å; F14-N46 HydrophobicContact CD1-CB 4.39Å; F14-N46 HydrophobicContact CD2-CB 3.5Å; F14-N46 HydrophobicContact CE1-CB 4.37Å; F14-N46 HydrophobicContact CE2-CB 3.48Å; F14-N46 VanDerWaalsContact CE2-CB 3.48Å; F14-N46 HydrophobicContact CG-CB 3.97Å; F14-N46 HydrophobicContact CZ-CB 3.93Å; F14-Y47 AromaticContact CE2-CD1 3.87Å; F14-Y47 HydrophobicContact CE2-CD1 3.87Å; F14-Y47 AromaticContact CE2-CE1 3.7Å; F14-Y47 HydrophobicContact CE2-CE1 3.7Å; F14-Y47 AromaticContact CZ-CD1 3.88Å; F14-Y47 HydrophobicContact CZ-CD1 3.88Å; F14-Y47 AromaticContact CZ-CE1 3.92Å; F14-Y47 HydrophobicContact CZ-CE1 3.92Å; F14-V50 HydrophobicContact CE1-CG2 3.78Å; F14-V50 HydrophobicContact CZ-CG2 4.06Å; F14-H136 AromaticContact CD2-CE1 3.64Å; F14-H136 AromaticContact CE2-CE1 3.47Å; F14-H136 VanDerWaalsContact CE2-CE1 3.47Å; F14-H136 WeakPolarHBondContact CE2-CE1 3.46Å; F14-H136 AromaticContact CE2-ND1 3.85Å; F14-H136 AromaticContact CE2-NE2 3.96Å; F14-H136 PolarHBondContact O-NE2 3.4Å
15F80.8Confident79.7Confident112 Ų11275.1 Ų75.149%0.49140%0.4SS..SBendtrans-77.8158.4-175.5-80-67.7000113.7W11 G17W11-F15 HydrophobicContact CB-CD2 4.14Å; W11-F15 HydrophobicContact CB-CE2 4.48Å; W11-F15 HydrophobicContact CD2-CD2 4.4Å; W11-F15 AromaticContact CD2-CE2 3.96Å; W11-F15 HydrophobicContact CD2-CE2 3.96Å; W11-F15 AromaticContact CE3-CD2 3.7Å; W11-F15 HydrophobicContact CE3-CD2 3.7Å; W11-F15 AromaticContact CE3-CE2 3.19Å; W11-F15 HydrophobicContact CE3-CE2 3.19Å; W11-F15 HydrophobicContact CE3-CZ 4.08Å; W11-F15 HydrophobicContact CZ3-CD2 4.46Å; W11-F15 AromaticContact CZ3-CE2 3.64Å; W11-F15 HydrophobicContact CZ3-CE2 3.64Å; W11-F15 HydrophobicContact CZ3-CZ 4.07Å; W11-F15 WeakPolarHBondContact O-CB 3.29Å; W11-F15 WeakPolarHBondContact O-CD2 3.43Å; W11-F15 PolarHBondContact O-N 3.49Å; F15-G17 PolarHBondContact O-N 2.91Å
16P65.1Low79.9Confident95 Ų9576 Ų7662%0.61740%0.4SS*.  trans-66.6114.8-171.523.4-30.8000114.9F21P16-F21 HydrophobicContact CB-CD2 3.77Å; P16-F21 HydrophobicContact CB-CE2 3.71Å; P16-F21 HydrophobicContact CB-CG 4.37Å; P16-F21 HydrophobicContact CB-CZ 4.15Å
17G67.5Low80Confident23 Ų2387.1 Ų87.124%0.23744%0.44CS..  trans-89.9144.914600000109.7F15 D19 R20F15-G17 PolarHBondContact O-N 2.91Å; G17-D19 PolarHBondContact O-N 3.37Å; G17-D19 VanDerWaalsContact O-N 3.16Å; G17-R20 WeakPolarHBondContact O-CB 3.41Å; G17-R20 PolarHBondContact O-N 3.13Å
18S62.2Low80.1Confident128 Ų12886.5 Ų86.590%0.89543%0.432SS*.THydrogen-bonded Turntrans-61.2-22.8-177.949.70000113.8
19D65.6Low80Confident113 Ų11387.8 Ų87.860%0.60444%0.439SS*.THydrogen-bonded Turntrans-83.4-10.1176.864.1-38.3000113.7G17G17-D19 PolarHBondContact O-N 3.37Å; G17-D19 VanDerWaalsContact O-N 3.16Å
20R73Confident79.9Confident75 Ų7590.1 Ų90.128%0.28346%0.46SS..SBendtrans-106-9-166.6-78.6172.2-167.4-144.52.4114.1D12 D13 G17 R140 L141D12-R20 PolarHBondContact O-NH1 3.48Å; D13-R20 IonicContact OD1-NH1 2.59Å; G17-R20 WeakPolarHBondContact O-CB 3.41Å; G17-R20 PolarHBondContact O-N 3.13Å; R20-R140 PolarHBondContact O-NH1 2.93Å; R20-L141 WeakPolarHBondContact O-CB 3.35Å; R20-L141 PolarHBondContact O-N 2.94Å
21F79.8Confident79.7Confident50 Ų5093.1 Ų93.122%0.21946%0.462CS..BIsolated β-bridgetrans-127134.2-175.4-72.6-105000110.1P16 H136 L139 R140P16-F21 HydrophobicContact CB-CD2 3.77Å; P16-F21 HydrophobicContact CB-CE2 3.71Å; P16-F21 HydrophobicContact CB-CG 4.37Å; P16-F21 HydrophobicContact CB-CZ 4.15Å; F21-H136 AromaticContact CE1-CD2 3.82Å; F21-H136 AromaticContact CE1-NE2 3.95Å; F21-H136 AromaticContact CZ-CD2 3.84Å; F21-H136 AromaticContact CZ-NE2 3.54Å; F21-L139 CarbonylContact C-O 3.59Å; F21-L139 WeakPolarHBondContact CA-O 3.36Å; F21-L139 HydrophobicContact CD1-CB 3.66Å; F21-L139 HydrophobicContact CE1-CB 4.34Å; F21-R140 HydrophobicContact CE1-CB 4.11Å; F21-R140 VanDerWaalsContact CE2-CD 3.42Å; F21-R140 HydrophobicContact CZ-CB 4.29Å; F21-R140 VanDerWaalsContact CZ-CD 3.43Å; F21-R140 HydrophobicContact CZ-CG 4.46Å
22A81.9Confident79.8Confident36 Ų3691 Ų9130%0.29845%0.454SS..  trans-140151.817600000110.1L139 L141A22-L139 PolarHBondContact N-O 3.32Å; A22-L139 VanDerWaalsContact O-O 3.12Å; A22-L141 HydrophobicContact CB-CD1 4.08Å; A22-L141 HydrophobicContact CB-CD2 3.6Å; A22-L141 HydrophobicContact CB-CG 3.86Å
23R82.3Confident79.9Confident226 Ų22689.3 Ų89.385%0.85345%0.445SS*.  trans-60.6143.8175.9-69.7-174.4-176.1-172.61.3110.4D25R23-D25 PolarHBondContact O-N 3.2Å
24P82.5Confident80.1Confident22 Ų2292.9 Ų92.914%0.14346%0.464CS..  trans-60.5137.8173.624.7-35.6000112.7F26 W32P24-F26 HydrophobicContact CB-CD1 4.35Å; P24-F26 HydrophobicContact CB-CE1 3.94Å; P24-F26 HydrophobicContact CB-CE2 4.37Å; P24-F26 HydrophobicContact CB-CZ 3.99Å; P24-F26 HydrophobicContact CG-CD1 4.46Å; P24-F26 HydrophobicContact CG-CD2 4.41Å; P24-F26 HydrophobicContact CG-CE1 3.69Å; P24-F26 HydrophobicContact CG-CE2 3.64Å; P24-F26 HydrophobicContact CG-CZ 3.24Å; P24-F26 PolarHBondContact O-N 3.42Å; P24-W32 HydrophobicContact CB-CD2 4.22Å; P24-W32 HydrophobicContact CB-CG 4.17Å
25D81.1Confident80.2Confident63 Ų6393.9 Ų93.934%0.33747%0.468SS..  trans-85.493.9171.9-171.6-4.7000108R23 R27 D28R23-D25 PolarHBondContact O-N 3.2Å; D25-R27 PolarHBondContact O-N 2.97Å; D25-R27 WeakPolarHBondContact OD1-CB 3.44Å; D25-R27 PolarHBondContact OD1-N 2.96Å; D25-D28 PolarHBondContact O-N 3.25Å
26F82.7Confident80.6Confident138 Ų13889 Ų8961%0.60545%0.447SS*.THydrogen-bonded Turntrans-73.4-7.3-179.5-61-67.4000113.3P24 W32P24-F26 HydrophobicContact CB-CD1 4.35Å; P24-F26 HydrophobicContact CB-CE1 3.94Å; P24-F26 HydrophobicContact CB-CE2 4.37Å; P24-F26 HydrophobicContact CB-CZ 3.99Å; P24-F26 HydrophobicContact CG-CD1 4.46Å; P24-F26 HydrophobicContact CG-CD2 4.41Å; P24-F26 HydrophobicContact CG-CE1 3.69Å; P24-F26 HydrophobicContact CG-CE2 3.64Å; P24-F26 HydrophobicContact CG-CZ 3.24Å; P24-F26 PolarHBondContact O-N 3.42Å; F26-W32 HydrophobicContact CD1-CE3 4.01Å; F26-W32 HydrophobicContact CD1-CH2 4.35Å; F26-W32 AromaticContact CD1-CZ3 3.91Å; F26-W32 HydrophobicContact CD1-CZ3 3.91Å; F26-W32 HydrophobicContact CE1-CE3 4.25Å; F26-W32 AromaticContact CE1-CH2 3.86Å; F26-W32 HydrophobicContact CE1-CH2 3.86Å; F26-W32 HydrophobicContact CE1-CZ2 4.18Å; F26-W32 AromaticContact CE1-CZ3 3.9Å; F26-W32 HydrophobicContact CE1-CZ3 3.9Å
27R85Confident81.7Confident241 Ų24186.5 Ų86.591%0.90943%0.43SS*.THydrogen-bonded Turntrans-79.5-30.9175.2-63178.5171.4173.2-3.2111.7D25D25-R27 PolarHBondContact O-N 2.97Å; D25-R27 WeakPolarHBondContact OD1-CB 3.44Å; D25-R27 PolarHBondContact OD1-N 2.96Å
28D87.7Confident82.6Confident66 Ų6685.6 Ų85.635%0.35342%0.42SS..  trans-11582.8177.3-172.9-14.8000109.9D25 S30 K31 W32D25-D28 PolarHBondContact O-N 3.25Å; D28-S30 VanDerWaalsContact C-N 3.27Å; D28-S30 PolarHBondContact O-N 3.34Å; D28-S30 PolarHBondContact OD1-N 3.37Å; D28-K31 HydrophobicContact CB-CB 3.99Å; D28-K31 HydrophobicContact CB-CD 4.46Å; D28-K31 PolarHBondContact O-N 2.9Å; D28-K31 WeakPolarHBondContact OD1-CB 3.28Å; D28-K31 PolarHBondContact OD1-N 2.96Å; D28-K31 VanDerWaalsContact OD2-CB 3.28Å; D28-K31 WeakPolarHBondContact OD2-CB 3.45Å; D28-W32 PolarHBondContact O-N 3.35Å
29I86.3Confident83.9Confident118 Ų11879.6 Ų79.661%0.60538%0.378SS*.Hα-helixtrans-60.5-38.9-177.9-59.8171.1000110.6K31 W32 N33I29-K31 PolarHBondContact O-N 3.25Å; I29-W32 PolarHBondContact O-N 3.31Å; I29-N33 WeakPolarHBondContact O-CB 3.35Å; I29-N33 PolarHBondContact O-N 3.48Å
30S86.6Confident85.1Confident84 Ų8475.6 Ų75.659%0.58736%0.357SS*.Hα-helixtrans-62.9-42.4178.9-56.20000111.5D28 N33 N34D28-S30 VanDerWaalsContact C-N 3.27Å; D28-S30 PolarHBondContact O-N 3.34Å; D28-S30 PolarHBondContact OD1-N 3.37Å; S30-N33 PolarHBondContact O-N 3.41Å; S30-N34 VanDerWaalsContact O-CB 3.31Å; S30-N34 WeakPolarHBondContact O-CB 3.34Å; S30-N34 VanDerWaalsContact O-CG 3.24Å; S30-N34 PolarHBondContact O-N 2.97Å; S30-N34 PolarHBondContact O-ND2 3.31Å
31K85.5Confident85.8Confident123 Ų12373 Ų7354%0.53535%0.348SS..Hα-helixtrans-67.1-38.8174.8-178.6-177.5176.6-171.50112.5D28 I29 R35D28-K31 HydrophobicContact CB-CB 3.99Å; D28-K31 HydrophobicContact CB-CD 4.46Å; D28-K31 PolarHBondContact O-N 2.9Å; D28-K31 WeakPolarHBondContact OD1-CB 3.28Å; D28-K31 PolarHBondContact OD1-N 2.96Å; D28-K31 VanDerWaalsContact OD2-CB 3.28Å; D28-K31 WeakPolarHBondContact OD2-CB 3.45Å; I29-K31 PolarHBondContact O-N 3.25Å; K31-R35 PolarHBondContact O-N 2.94Å
32W87.6Confident86.1Confident55 Ų5571.1 Ų71.121%0.20834%0.339CS..Hα-helixtrans-63.9-48174178.521.5000111.4P24 F26 D28 I29 N34 R35 V36 F134 S138P24-W32 HydrophobicContact CB-CD2 4.22Å; P24-W32 HydrophobicContact CB-CG 4.17Å; F26-W32 HydrophobicContact CD1-CE3 4.01Å; F26-W32 HydrophobicContact CD1-CH2 4.35Å; F26-W32 AromaticContact CD1-CZ3 3.91Å; F26-W32 HydrophobicContact CD1-CZ3 3.91Å; F26-W32 HydrophobicContact CE1-CE3 4.25Å; F26-W32 AromaticContact CE1-CH2 3.86Å; F26-W32 HydrophobicContact CE1-CH2 3.86Å; F26-W32 HydrophobicContact CE1-CZ2 4.18Å; F26-W32 AromaticContact CE1-CZ3 3.9Å; F26-W32 HydrophobicContact CE1-CZ3 3.9Å; D28-W32 PolarHBondContact O-N 3.35Å; I29-W32 PolarHBondContact O-N 3.31Å; W32-N34 VanDerWaalsContact C-N 3.35Å; W32-N34 PolarHBondContact O-N 2.82Å; W32-R35 WeakPolarHBondContact O-CA 3.25Å; W32-R35 WeakPolarHBondContact O-CB 3.18Å; W32-R35 PolarHBondContact O-N 3.35Å; W32-V36 WeakPolarHBondContact O-CG2 3.4Å; W32-V36 PolarHBondContact O-N 3.42Å; W32-F134 HydrophobicContact CH2-CZ 4.07Å; W32-F134 HydrophobicContact CZ2-CE1 4.1Å; W32-F134 AromaticContact CZ2-CZ 3.66Å; W32-F134 HydrophobicContact CZ2-CZ 3.66Å; W32-S138 PolarHBondContact NE1-OG 2.83Å; W32-S138 VanDerWaalsContact NE1-OG 3.08Å
33N87.3Confident86.5Confident79 Ų7969.5 Ų69.542%0.42233%0.326SS..Hα-helixtrans-57.7-48.7177.8-171.627.6000111.1I29 S30 R35 V36 V37I29-N33 WeakPolarHBondContact O-CB 3.35Å; I29-N33 PolarHBondContact O-N 3.48Å; S30-N33 PolarHBondContact O-N 3.41Å; N33-R35 PolarHBondContact O-N 3.32Å; N33-R35 VanDerWaalsContact O-N 3.17Å; N33-V36 PolarHBondContact O-N 3.37Å; N33-V37 WeakPolarHBondContact O-CG2 3.48Å; N33-V37 PolarHBondContact O-N 3.5Å
34N86.5Confident86.8Confident96 Ų9659.9 Ų59.951%0.51329%0.29SS..Hα-helixtrans-56-35174.7-80-39000113.1S30 W32 S38S30-N34 VanDerWaalsContact O-CB 3.31Å; S30-N34 WeakPolarHBondContact O-CB 3.34Å; S30-N34 VanDerWaalsContact O-CG 3.24Å; S30-N34 PolarHBondContact O-N 2.97Å; S30-N34 PolarHBondContact O-ND2 3.31Å; W32-N34 VanDerWaalsContact C-N 3.35Å; W32-N34 PolarHBondContact O-N 2.82Å; N34-S38 WeakPolarHBondContact O-CB 3.4Å; N34-S38 PolarHBondContact O-N 3.1Å; N34-S38 VanDerWaalsContact O-N 3.15Å
35R87.3Confident87.2Confident29 Ų2959.9 Ų59.911%0.10929%0.29CS..Hα-helixtrans-70.6-44.3175-176.9179.562.9-156.7-16.7111.4K31 W32 N33 N39 S138 R140K31-R35 PolarHBondContact O-N 2.94Å; W32-R35 WeakPolarHBondContact O-CA 3.25Å; W32-R35 WeakPolarHBondContact O-CB 3.18Å; W32-R35 PolarHBondContact O-N 3.35Å; N33-R35 PolarHBondContact O-N 3.32Å; N33-R35 VanDerWaalsContact O-N 3.17Å; R35-N39 WeakPolarHBondContact O-CB 3.37Å; R35-N39 VanDerWaalsContact O-CG 3.28Å; R35-N39 PolarHBondContact O-N 2.94Å; R35-N39 PolarHBondContact O-ND2 3.38Å; R35-S138 PolarHBondContact NE-O 3.43Å; R35-S138 PolarHBondContact NH2-O 3.4Å; R35-R140 VanDerWaalsContact CD-O 3.26Å; R35-R140 WeakPolarHBondContact CD-O 3.48Å; R35-R140 WeakPolarHBondContact CG-O 3.44Å
36V89.4Confident87.9Confident10 Ų1056.9 Ų56.96%0.06127%0.274CS..Hα-helixtrans-61.8-55.9179.2174.40000110.7W32 N33 S38 N39 L40 F134 A137 S138W32-V36 WeakPolarHBondContact O-CG2 3.4Å; W32-V36 PolarHBondContact O-N 3.42Å; N33-V36 PolarHBondContact O-N 3.37Å; V36-S38 VanDerWaalsContact C-N 3.32Å; V36-S38 PolarHBondContact O-N 2.9Å; V36-N39 PolarHBondContact O-N 2.9Å; V36-N39 VanDerWaalsContact O-N 3.13Å; V36-L40 HydrophobicContact CG1-CD1 3.85Å; V36-L40 HydrophobicContact CG1-CG 4.24Å; V36-L40 WeakPolarHBondContact O-CG 3.35Å; V36-L40 PolarHBondContact O-N 3.36Å; V36-F134 HydrophobicContact CG1-CD2 4.22Å; V36-F134 HydrophobicContact CG1-CE2 4.11Å; V36-F134 HydrophobicContact CG2-CE2 4.45Å; V36-A137 HydrophobicContact CG1-CB 4.09Å; V36-S138 WeakPolarHBondContact CG2-OG 3.37Å
37V87.6Confident88.4Confident42 Ų4250.7 Ų50.726%0.25525%0.247SC..Hα-helixtrans-53.9-50.4178.5170.20000110.5N33 N39 L40 L41 L166N33-V37 WeakPolarHBondContact O-CG2 3.48Å; N33-V37 PolarHBondContact O-N 3.5Å; V37-N39 VanDerWaalsContact C-N 3.32Å; V37-N39 PolarHBondContact O-N 3.24Å; V37-L40 PolarHBondContact O-N 3.18Å; V37-L41 HydrophobicContact CG1-CD1 4.07Å; V37-L41 WeakPolarHBondContact O-CG 3.39Å; V37-L41 PolarHBondContact O-N 3.36Å; V37-L166 HydrophobicContact CG1-CD1 4.1Å
38S86.6Confident88.8Confident4 Ų444.8 Ų44.83%0.02823%0.232CC..Hα-helixtrans-56.7-44178.6175.90000112.5N34 V36 Y42 R142 N146 N150N34-S38 WeakPolarHBondContact O-CB 3.4Å; N34-S38 PolarHBondContact O-N 3.1Å; N34-S38 VanDerWaalsContact O-N 3.15Å; V36-S38 VanDerWaalsContact C-N 3.32Å; V36-S38 PolarHBondContact O-N 2.9Å; S38-Y42 WeakPolarHBondContact O-CB 3.4Å; S38-Y42 PolarHBondContact O-N 3.37Å; S38-R142 WeakPolarHBondContact OG-CD 3.32Å; S38-N146 PolarHBondContact O-OD1 2.9Å; S38-N146 PolarHBondContact OG-ND2 2.84Å; S38-N146 VanDerWaalsContact OG-ND2 3.08Å; S38-N146 PolarHBondContact OG-OD1 3.01Å; S38-N150 VanDerWaalsContact CA-ND2 3.3Å; S38-N150 WeakPolarHBondContact CA-ND2 3.37Å; S38-N150 VanDerWaalsContact CB-ND2 3.3Å; S38-N150 WeakPolarHBondContact CB-ND2 3.37Å; S38-N150 PolarHBondContact O-ND2 2.73Å; S38-N150 PolarHBondContact OG-ND2 2.91Å
39N90.6Very high89.1Confident1 Ų144.2 Ų44.21%0.00523%0.231CC..Hα-helixtrans-72.1-36.9178-72.4-36.6000112.8R35 V36 V37 L41 Y42 Y43 Y47 A137 R140 N146R35-N39 WeakPolarHBondContact O-CB 3.37Å; R35-N39 VanDerWaalsContact O-CG 3.28Å; R35-N39 PolarHBondContact O-N 2.94Å; R35-N39 PolarHBondContact O-ND2 3.38Å; V36-N39 PolarHBondContact O-N 2.9Å; V36-N39 VanDerWaalsContact O-N 3.13Å; V37-N39 VanDerWaalsContact C-N 3.32Å; V37-N39 PolarHBondContact O-N 3.24Å; N39-L41 VanDerWaalsContact C-N 3.35Å; N39-Y42 PolarHBondContact O-N 3.34Å; N39-Y43 HydrophobicContact CB-CD2 4.49Å; N39-Y43 PolarHBondContact O-N 2.6Å; N39-Y47 WeakPolarHBondContact O-CE2 3.38Å; N39-A137 HydrophobicContact CB-CB 4.02Å; N39-A137 PolarHBondContact ND2-O 3.05Å; N39-R140 PolarHBondContact ND2-O 3.04Å; N39-N146 PolarHBondContact OD1-ND2 3.15Å
40L90.2Very high89.4Confident30 Ų3039.9 Ų39.916%0.15721%0.21CC..Hα-helixtrans-58.5-45.4176.2-74.8175.7000111.8V36 V37 Q44 Y47 A137 M162 L166V36-L40 HydrophobicContact CG1-CD1 3.85Å; V36-L40 HydrophobicContact CG1-CG 4.24Å; V36-L40 WeakPolarHBondContact O-CG 3.35Å; V36-L40 PolarHBondContact O-N 3.36Å; V37-L40 PolarHBondContact O-N 3.18Å; L40-Q44 WeakPolarHBondContact O-CA 3.3Å; L40-Q44 PolarHBondContact O-N 3.35Å; L40-Y47 HydrophobicContact CD2-CD2 4.29Å; L40-Y47 HydrophobicContact CD2-CE2 4.04Å; L40-A137 HydrophobicContact CD2-CB 4.07Å; L40-A137 HydrophobicContact CG-CB 4.1Å; L40-M162 HydrophobicContact CB-CG 4.14Å; L40-M162 HydrophobicContact CB-SD 4.14Å; L40-L166 HydrophobicContact CB-CD1 4.21Å; L40-L166 HydrophobicContact CD1-CD2 4.11Å
41L87.7Confident89.8Confident19 Ų1936.5 Ų36.510%0.09919%0.187CC..Hα-helixtrans-64.8-50.4176.8-68.4171.8000111.8V37 N39 Y43 N150 E153 M162 G163 L166V37-L41 HydrophobicContact CG1-CD1 4.07Å; V37-L41 WeakPolarHBondContact O-CG 3.39Å; V37-L41 PolarHBondContact O-N 3.36Å; N39-L41 VanDerWaalsContact C-N 3.35Å; L41-Y43 PolarHBondContact O-N 3.22Å; L41-N150 VanDerWaalsContact CB-OD1 3.28Å; L41-N150 WeakPolarHBondContact CB-OD1 3.4Å; L41-N150 WeakPolarHBondContact CD1-OD1 3.42Å; L41-E153 WeakPolarHBondContact CB-OE2 3.37Å; L41-E153 WeakPolarHBondContact CD1-OE2 3.3Å; L41-E153 WeakPolarHBondContact CD2-OE2 3.45Å; L41-M162 HydrophobicContact CD2-CB 4.12Å; L41-M162 HydrophobicContact CD2-CG 4.09Å; L41-G163 VanDerWaalsContact CD2-CA 3.48Å; L41-G163 VanDerWaalsContact CD2-N 3.32Å; L41-L166 HydrophobicContact CD1-CD1 4.35Å; L41-L166 HydrophobicContact CD2-CD1 3.67Å; L41-L166 HydrophobicContact CG-CD1 3.76Å
42Y85.9Confident90.2Very high11 Ų1133 Ų334%0.04318%0.181CC..Hα-helixtrans-67.4-40.3-173.2-172.7-101.5000114.2R9 D13 S38 N39 K145 N146 E149R9-Y42 HydrophobicContact CG-CD1 4.41Å; R9-Y42 HydrophobicContact CG-CE1 4.05Å; R9-Y42 PolarHBondContact NE-O 3.04Å; D13-Y42 WeakPolarHBondContact OD2-CE1 3.46Å; S38-Y42 WeakPolarHBondContact O-CB 3.4Å; S38-Y42 PolarHBondContact O-N 3.37Å; N39-Y42 PolarHBondContact O-N 3.34Å; Y42-K145 HydrophobicContact CE2-CB 4.26Å; Y42-N146 VanDerWaalsContact CB-OD1 3.24Å; Y42-N146 WeakPolarHBondContact CB-OD1 3.3Å; Y42-N146 HydrophobicContact CD1-CB 4.28Å; Y42-N146 HydrophobicContact CD2-CB 4.03Å; Y42-N146 HydrophobicContact CE2-CB 4.46Å; Y42-N146 HydrophobicContact CG-CB 3.94Å; Y42-E149 HydrophobicContact CD2-CB 4.26Å; Y42-E149 HydrophobicContact CD2-CG 4.41Å; Y42-E149 WeakPolarHBondContact CD2-OE2 3.28Å; Y42-E149 HydrophobicContact CE2-CG 4.3Å; Y42-E149 VanDerWaalsContact CE2-OE2 3.25Å; Y42-E149 WeakPolarHBondContact CE2-OE2 3.47Å
43Y89.6Confident90.5Very high2 Ų235.7 Ų35.71%0.00820%0.198CC..THydrogen-bonded Turntrans-102.416.4-177.7-64.6-66.7000113.5R9 D13 F14 N39 L41 T45 N46 Y47 R140R9-Y43 HydrophobicContact CB-CD1 3.94Å; R9-Y43 HydrophobicContact CB-CE1 4.02Å; R9-Y43 HydrophobicContact CG-CD1 3.77Å; R9-Y43 HydrophobicContact CG-CE1 4.06Å; D13-Y43 PolarHBondContact O-OH 3.35Å; D13-Y43 VanDerWaalsContact O-OH 3.08Å; D13-Y43 PolarHBondContact OD1-OH 3.26Å; D13-Y43 VanDerWaalsContact OD2-CE1 3.26Å; D13-Y43 WeakPolarHBondContact OD2-CE1 3.31Å; D13-Y43 PolarHBondContact OD2-OH 3.37Å; F14-Y43 HydrophobicContact CB-CD1 4.43Å; F14-Y43 HydrophobicContact CB-CE1 4.34Å; F14-Y43 AromaticContact CD2-CD1 3.56Å; F14-Y43 HydrophobicContact CD2-CD1 3.56Å; F14-Y43 HydrophobicContact CD2-CD2 4.5Å; F14-Y43 HydrophobicContact CD2-CE1 4.14Å; F14-Y43 AromaticContact CD2-CG 3.77Å; F14-Y43 HydrophobicContact CD2-CG 3.77Å; F14-Y43 HydrophobicContact CE2-CD1 4.36Å; F14-Y43 HydrophobicContact CE2-CG 4.16Å; F14-Y43 HydrophobicContact CG-CD1 4.48Å; N39-Y43 HydrophobicContact CB-CD2 4.49Å; N39-Y43 PolarHBondContact O-N 2.6Å; L41-Y43 PolarHBondContact O-N 3.22Å; Y43-T45 PolarHBondContact O-N 2.94Å; Y43-T45 VanDerWaalsContact O-N 3.08Å; Y43-N46 WeakPolarHBondContact O-CB 3.13Å; Y43-N46 PolarHBondContact O-N 3.21Å; Y43-Y47 VanDerWaalsContact O-CD2 3.26Å; Y43-Y47 WeakPolarHBondContact O-CD2 3.47Å; Y43-Y47 PolarHBondContact O-N 3.1Å; Y43-R140 HydrophobicContact CE2-CG 4.05Å; Y43-R140 PolarHBondContact OH-NH2 3.33Å
44Q90.1Very high90.7Very high24 Ų2434 Ų3411%0.11219%0.188CC..Hα-helixtrans-43.4-48.6-176.6179.5-170.3-55.600113.1A6 L40 Y47 L48 M162A6-Q44 HydrophobicContact CB-CB 4.18Å; L40-Q44 WeakPolarHBondContact O-CA 3.3Å; L40-Q44 PolarHBondContact O-N 3.35Å; Q44-Y47 WeakPolarHBondContact O-CB 3.41Å; Q44-Y47 PolarHBondContact O-N 2.82Å; Q44-L48 PolarHBondContact O-N 3.32Å; Q44-M162 HydrophobicContact CB-CB 4.27Å; Q44-M162 HydrophobicContact CG-CB 3.8Å
45T90.8Very high91Very high22 Ų2232.9 Ų32.914%0.13518%0.181CC..Hα-helixtrans-75.2-34.3-175.7-58.30000112.4A6 L8 Y43 Y47 L48 V49A6-T45 WeakPolarHBondContact O-CB 3.23Å; A6-T45 PolarHBondContact O-OG1 2.83Å; L8-T45 HydrophobicContact CB-CG2 3.97Å; L8-T45 HydrophobicContact CD1-CG2 3.98Å; Y43-T45 PolarHBondContact O-N 2.94Å; Y43-T45 VanDerWaalsContact O-N 3.08Å; T45-Y47 VanDerWaalsContact C-N 3.34Å; T45-L48 PolarHBondContact O-N 3.16Å; T45-V49 WeakPolarHBondContact O-CG2 3.46Å; T45-V49 PolarHBondContact O-N 3.46Å
46N94.1Very high91.2Very high0 Ų035.3 Ų35.30%020%0.202CC..Hα-helixtrans-62.7-43.7171.5-65.272000110.8L8 R9 F14 Y43 L48 V49 V50L8-N46 HydrophobicContact CD1-CB 4.36Å; R9-N46 WeakPolarHBondContact CA-OD1 3.12Å; R9-N46 VanDerWaalsContact CB-OD1 3.3Å; R9-N46 WeakPolarHBondContact CB-OD1 3.34Å; R9-N46 PolarHBondContact N-OD1 3.34Å; R9-N46 PolarHBondContact O-ND2 3.42Å; F14-N46 HydrophobicContact CD1-CB 4.39Å; F14-N46 HydrophobicContact CD2-CB 3.5Å; F14-N46 HydrophobicContact CE1-CB 4.37Å; F14-N46 HydrophobicContact CE2-CB 3.48Å; F14-N46 VanDerWaalsContact CE2-CB 3.48Å; F14-N46 HydrophobicContact CG-CB 3.97Å; F14-N46 HydrophobicContact CZ-CB 3.93Å; Y43-N46 WeakPolarHBondContact O-CB 3.13Å; Y43-N46 PolarHBondContact O-N 3.21Å; N46-L48 PolarHBondContact O-N 2.77Å; N46-V49 PolarHBondContact O-N 2.84Å; N46-V50 VanDerWaalsContact O-CG2 3.3Å; N46-V50 WeakPolarHBondContact O-CG2 3.49Å; N46-V50 PolarHBondContact O-N 3.08Å
47Y93.9Very high91.4Very high8 Ų838.2 Ų38.23%0.03122%0.22CC..Hα-helixtrans-59.8-44.3175.5-74.7-39.6000112.6F14 N39 L40 Y43 Q44 T45 V49 V50 A51 M133 H136 A137F14-Y47 AromaticContact CE2-CD1 3.87Å; F14-Y47 HydrophobicContact CE2-CD1 3.87Å; F14-Y47 AromaticContact CE2-CE1 3.7Å; F14-Y47 HydrophobicContact CE2-CE1 3.7Å; F14-Y47 AromaticContact CZ-CD1 3.88Å; F14-Y47 HydrophobicContact CZ-CD1 3.88Å; F14-Y47 AromaticContact CZ-CE1 3.92Å; F14-Y47 HydrophobicContact CZ-CE1 3.92Å; N39-Y47 WeakPolarHBondContact O-CE2 3.38Å; L40-Y47 HydrophobicContact CD2-CD2 4.29Å; L40-Y47 HydrophobicContact CD2-CE2 4.04Å; Y43-Y47 VanDerWaalsContact O-CD2 3.26Å; Y43-Y47 WeakPolarHBondContact O-CD2 3.47Å; Y43-Y47 PolarHBondContact O-N 3.1Å; Q44-Y47 WeakPolarHBondContact O-CB 3.41Å; Q44-Y47 PolarHBondContact O-N 2.82Å; T45-Y47 VanDerWaalsContact C-N 3.34Å; Y47-V49 PolarHBondContact O-N 2.93Å; Y47-V50 PolarHBondContact O-N 3.34Å; Y47-A51 WeakPolarHBondContact O-CB 3.19Å; Y47-A51 PolarHBondContact O-N 3.04Å; Y47-M133 VanDerWaalsContact CB-SD 3.52Å; Y47-M133 HydrophobicContact CD1-CB 3.9Å; Y47-M133 HydrophobicContact CD1-CG 3.61Å; Y47-M133 HydrophobicContact CD1-SD 4.31Å; Y47-M133 HydrophobicContact CE1-CB 4.25Å; Y47-M133 HydrophobicContact CE1-CG 4.4Å; Y47-M133 HydrophobicContact CG-CB 4.33Å; Y47-M133 HydrophobicContact CG-CG 3.99Å; Y47-M133 HydrophobicContact CG-SD 4.1Å; Y47-H136 HydrophobicContact CE1-CB 3.98Å; Y47-H136 AromaticContact CE1-CG 3.85Å; Y47-H136 AromaticContact CE1-ND1 3.31Å; Y47-H136 VanDerWaalsContact CE1-ND1 3.31Å; Y47-H136 WeakPolarHBondContact CE1-ND1 3.42Å; Y47-H136 AromaticContact CZ-ND1 3.43Å; Y47-H136 PolarHBondContact OH-ND1 3.33Å; Y47-A137 WeakPolarHBondContact OH-CA 3.28Å; Y47-A137 WeakPolarHBondContact OH-CB 3.48Å; Y47-A137 PolarHBondContact OH-N 2.89Å
48L93.1Very high91.5Very high117 Ų11737.1 Ų37.161%0.61321%0.213SC*.Hα-helixtrans-60.9-44175.4-176.264.7000112Q44 T45 N46 A51 A52Q44-L48 PolarHBondContact O-N 3.32Å; T45-L48 PolarHBondContact O-N 3.16Å; N46-L48 PolarHBondContact O-N 2.77Å; L48-A51 PolarHBondContact O-N 3.35Å; L48-A52 WeakPolarHBondContact O-CB 3.39Å; L48-A52 PolarHBondContact O-N 3.39Å
49V94.1Very high91.8Very high54 Ų5438 Ų3833%0.32722%0.222SC..Hα-helixtrans-62.7-46.1177.5169.90000111.3L8 W11 T45 N46 Y47 A51 A52 M53L8-V49 HydrophobicContact CD1-CG2 4.11Å; W11-V49 HydrophobicContact CH2-CG1 4.01Å; W11-V49 HydrophobicContact CZ2-CG1 4.09Å; T45-V49 WeakPolarHBondContact O-CG2 3.46Å; T45-V49 PolarHBondContact O-N 3.46Å; N46-V49 PolarHBondContact O-N 2.84Å; Y47-V49 PolarHBondContact O-N 2.93Å; V49-A51 VanDerWaalsContact C-N 3.35Å; V49-A51 PolarHBondContact O-N 3.43Å; V49-A52 PolarHBondContact O-N 2.92Å; V49-M53 WeakPolarHBondContact O-CB 3.45Å; V49-M53 PolarHBondContact O-N 3.26Å
50V93.4Very high91.9Very high28 Ų2846 Ų4617%0.1726%0.258CS..Hα-helixtrans-62.3-43.9177.3171.50000110.6W11 F14 N46 Y47 M53 M54W11-V50 HydrophobicContact CH2-CG2 4.29Å; W11-V50 HydrophobicContact CZ3-CG2 4.23Å; F14-V50 HydrophobicContact CE1-CG2 3.78Å; F14-V50 HydrophobicContact CZ-CG2 4.06Å; N46-V50 VanDerWaalsContact O-CG2 3.3Å; N46-V50 WeakPolarHBondContact O-CG2 3.49Å; N46-V50 PolarHBondContact O-N 3.08Å; Y47-V50 PolarHBondContact O-N 3.34Å; V50-M53 PolarHBondContact O-N 2.89Å; V50-M54 HydrophobicContact CG1-CG 4.42Å; V50-M54 WeakPolarHBondContact O-CB 3.44Å; V50-M54 VanDerWaalsContact O-CG 3.28Å; V50-M54 WeakPolarHBondContact O-CG 3.14Å; V50-M54 PolarHBondContact O-N 3.19Å
51A93.6Very high92Very high12 Ų1250.6 Ų50.610%0.09928%0.282CS..Hα-helixtrans-62.7-44.8177.600000112Y47 L48 V49 M53 M54 I55 P129 M133Y47-A51 WeakPolarHBondContact O-CB 3.19Å; Y47-A51 PolarHBondContact O-N 3.04Å; L48-A51 PolarHBondContact O-N 3.35Å; V49-A51 VanDerWaalsContact C-N 3.35Å; V49-A51 PolarHBondContact O-N 3.43Å; A51-M53 PolarHBondContact O-N 2.87Å; A51-M54 PolarHBondContact O-N 3.48Å; A51-I55 WeakPolarHBondContact O-CB 3.44Å; A51-I55 VanDerWaalsContact O-CG1 3.27Å; A51-I55 WeakPolarHBondContact O-CG1 3.35Å; A51-I55 PolarHBondContact O-N 3.41Å; A51-P129 HydrophobicContact CB-CB 4Å; A51-M133 HydrophobicContact CB-CE 4.41Å; A51-M133 HydrophobicContact CB-SD 4.26Å
52A94.2Very high92.2Very high50 Ų5051.4 Ų51.441%0.41329%0.289SS..Hα-helixtrans-62.2-41.4176.400000112.1L48 V49 S56L48-A52 WeakPolarHBondContact O-CB 3.39Å; L48-A52 PolarHBondContact O-N 3.39Å; V49-A52 PolarHBondContact O-N 2.92Å; A52-S56 VanDerWaalsContact O-CB 3.32Å; A52-S56 WeakPolarHBondContact O-CB 3.49Å; A52-S56 PolarHBondContact O-N 2.87Å; A52-S56 PolarHBondContact O-OG 2.9Å
53M94.1Very high92.5Very high111 Ų11154.1 Ų54.155%0.54731%0.308SS..Hα-helixtrans-61.3-48.3175.5-177.8-172.8-67.800111V49 V50 A51 S56 V57V49-M53 WeakPolarHBondContact O-CB 3.45Å; V49-M53 PolarHBondContact O-N 3.26Å; V50-M53 PolarHBondContact O-N 2.89Å; A51-M53 PolarHBondContact O-N 2.87Å; M53-S56 WeakPolarHBondContact O-CB 3.19Å; M53-S56 PolarHBondContact O-N 3.17Å; M53-V57 WeakPolarHBondContact O-CG2 3.44Å; M53-V57 PolarHBondContact O-N 3.18Å
54M92.5Very high92.6Very high43 Ų4360.6 Ų60.621%0.21234%0.336CS..Hα-helixtrans-64-44.7179.9-71.4-57.1-54.900112.4V50 A51 S56 V57 V58 F128 P129V50-M54 HydrophobicContact CG1-CG 4.42Å; V50-M54 WeakPolarHBondContact O-CB 3.44Å; V50-M54 VanDerWaalsContact O-CG 3.28Å; V50-M54 WeakPolarHBondContact O-CG 3.14Å; V50-M54 PolarHBondContact O-N 3.19Å; A51-M54 PolarHBondContact O-N 3.48Å; M54-S56 VanDerWaalsContact C-N 3.28Å; M54-S56 PolarHBondContact O-N 2.91Å; M54-V57 PolarHBondContact O-N 3.12Å; M54-V58 WeakPolarHBondContact O-CG2 3.27Å; M54-V58 PolarHBondContact O-N 3.1Å; M54-F128 HydrophobicContact CE-CD1 3.62Å; M54-F128 HydrophobicContact CE-CE1 3.48Å; M54-F128 VanDerWaalsContact CE-CE1 3.48Å; M54-P129 HydrophobicContact CB-CG 3.87Å
55I91.9Very high92.7Very high74 Ų7461.3 Ų61.338%0.37934%0.341SS..Hα-helixtrans-60.4-40.9175.1-70.7167.3000110.4A51 V58 G59 M66 P129A51-I55 WeakPolarHBondContact O-CB 3.44Å; A51-I55 VanDerWaalsContact O-CG1 3.27Å; A51-I55 WeakPolarHBondContact O-CG1 3.35Å; A51-I55 PolarHBondContact O-N 3.41Å; I55-V58 PolarHBondContact O-N 3.34Å; I55-G59 WeakPolarHBondContact O-CA 3.28Å; I55-G59 PolarHBondContact O-N 2.92Å; I55-M66 HydrophobicContact CG2-CE 3.85Å; I55-P129 HydrophobicContact CG1-CG 4.23Å
56S92.5Very high92.8Very high79 Ų7961.6 Ų61.655%0.55234%0.341SS*.Hα-helixtrans-64.5-42.1177.4-59.20000112A52 M53 M54 G59 F60A52-S56 VanDerWaalsContact O-CB 3.32Å; A52-S56 WeakPolarHBondContact O-CB 3.49Å; A52-S56 PolarHBondContact O-N 2.87Å; A52-S56 PolarHBondContact O-OG 2.9Å; M53-S56 WeakPolarHBondContact O-CB 3.19Å; M53-S56 PolarHBondContact O-N 3.17Å; M54-S56 VanDerWaalsContact C-N 3.28Å; M54-S56 PolarHBondContact O-N 2.91Å; S56-G59 PolarHBondContact O-N 2.9Å; S56-F60 WeakPolarHBondContact O-CB 3.5Å; S56-F60 PolarHBondContact O-N 3.43Å
57V92.8Very high92.7Very high71 Ų7166.7 Ų66.743%0.4337%0.367SS..Hα-helixtrans-62.7-49.9175.9170.10000110.9M53 M54 G59 F60 L61M53-V57 WeakPolarHBondContact O-CG2 3.44Å; M53-V57 PolarHBondContact O-N 3.18Å; M54-V57 PolarHBondContact O-N 3.12Å; V57-G59 VanDerWaalsContact C-N 3.32Å; V57-G59 PolarHBondContact O-N 3.11Å; V57-F60 PolarHBondContact O-N 3.39Å; V57-L61 HydrophobicContact CG1-CD1 3.97Å; V57-L61 HydrophobicContact CG1-CG 4.48Å; V57-L61 WeakPolarHBondContact O-CG 3.5Å; V57-L61 PolarHBondContact O-N 3.32Å
58V91Very high92.7Very high20 Ų2067.8 Ų67.812%0.12137%0.373CS..Hα-helixtrans-63.4-40.8178.3176.60000111M54 I55 F60 L61 S62 M66 V121M54-V58 WeakPolarHBondContact O-CG2 3.27Å; M54-V58 PolarHBondContact O-N 3.1Å; I55-V58 PolarHBondContact O-N 3.34Å; V58-F60 VanDerWaalsContact C-N 3.31Å; V58-F60 PolarHBondContact O-N 2.88Å; V58-L61 PolarHBondContact O-N 2.88Å; V58-S62 PolarHBondContact O-N 3.37Å; V58-M66 HydrophobicContact CG1-CG 4.03Å; V58-M66 HydrophobicContact CG1-SD 4.13Å; V58-V121 HydrophobicContact CG1-CG1 4.13Å
59G91.1Very high92.6Very high21 Ų2162.2 Ų62.222%0.21635%0.345CS..Hα-helixtrans-62.2-35.1174.700000113I55 S56 V57 P63I55-G59 WeakPolarHBondContact O-CA 3.28Å; I55-G59 PolarHBondContact O-N 2.92Å; S56-G59 PolarHBondContact O-N 2.9Å; V57-G59 VanDerWaalsContact C-N 3.32Å; V57-G59 PolarHBondContact O-N 3.11Å; G59-P63 WeakPolarHBondContact O-CA 3.27Å; G59-P63 VanDerWaalsContact O-CB 3.24Å; G59-P63 WeakPolarHBondContact O-CB 3.24Å; G59-P63 WeakPolarHBondContact O-CD 3.31Å; G59-P63 VanDerWaalsContact O-N 3.08Å
60F92.8Very high92.5Very high171 Ų17161 Ų6175%0.7534%0.342SS*.Hα-helixtrans-73.9-39.8174.8-177.5-97.9000112.5S56 V57 V58 P63S56-F60 WeakPolarHBondContact O-CB 3.5Å; S56-F60 PolarHBondContact O-N 3.43Å; V57-F60 PolarHBondContact O-N 3.39Å; V58-F60 VanDerWaalsContact C-N 3.31Å; V58-F60 PolarHBondContact O-N 2.88Å; F60-P63 WeakPolarHBondContact O-CD 3.27Å
61L92.8Very high92.6Very high126 Ų12663.8 Ų63.866%0.6636%0.355SS*.Hα-helixtrans-73.5-27.2180-68175.5000113.2V57 V58V57-L61 HydrophobicContact CG1-CD1 3.97Å; V57-L61 HydrophobicContact CG1-CG 4.48Å; V57-L61 WeakPolarHBondContact O-CG 3.5Å; V57-L61 PolarHBondContact O-N 3.32Å; V58-L61 PolarHBondContact O-N 2.88Å
62S92.4Very high92.6Very high35 Ų3563.9 Ų63.925%0.24536%0.355CS..SBendtrans-146.464.2-179.2-71.30000111.8V58 F64 N65 M66V58-S62 PolarHBondContact O-N 3.37Å; S62-F64 PolarHBondContact O-N 3.38Å; S62-N65 PolarHBondContact O-N 3.33Å; S62-M66 PolarHBondContact O-N 2.81Å; S62-M66 VanDerWaalsContact O-N 3.1Å
63P92.1Very high92.6Very high68 Ų6864.1 Ų64.144%0.44235%0.351SS..Hα-helixtrans-62.5-41.6-171.922.6-32.8000112.4G59 F60 N65 M66 I67G59-P63 WeakPolarHBondContact O-CA 3.27Å; G59-P63 VanDerWaalsContact O-CB 3.24Å; G59-P63 WeakPolarHBondContact O-CB 3.24Å; G59-P63 WeakPolarHBondContact O-CD 3.31Å; G59-P63 VanDerWaalsContact O-N 3.08Å; F60-P63 WeakPolarHBondContact O-CD 3.27Å; P63-N65 PolarHBondContact O-N 3.48Å; P63-M66 PolarHBondContact O-N 2.83Å; P63-I67 WeakPolarHBondContact O-CB 3.43Å; P63-I67 VanDerWaalsContact O-CG1 3.25Å; P63-I67 WeakPolarHBondContact O-CG1 3.49Å; P63-I67 PolarHBondContact O-N 3.46Å
64F91.8Very high92.6Very high139 Ų13963 Ų6361%0.6135%0.351SS*.Hα-helixtrans-59.9-49.6179.3-177.3-101.7000111.7S62 M66 L68S62-F64 PolarHBondContact O-N 3.38Å; F64-M66 PolarHBondContact O-N 2.85Å; F64-L68 HydrophobicContact CD1-CD2 4.47Å; F64-L68 HydrophobicContact CE1-CD2 3.74Å; F64-L68 HydrophobicContact CZ-CD2 3.96Å; F64-L68 WeakPolarHBondContact O-CB 3.3Å; F64-L68 PolarHBondContact O-N 2.92Å
65N91.4Very high92.8Very high38 Ų3866.5 Ų66.520%0.20337%0.369CS..Hα-helixtrans-65.5-39.4-178.8-68-38.9000112.4S62 P63 G69 V121S62-N65 PolarHBondContact O-N 3.33Å; P63-N65 PolarHBondContact O-N 3.48Å; N65-G69 PolarHBondContact O-N 3.22Å; N65-V121 HydrophobicContact CB-CB 4.04Å; N65-V121 HydrophobicContact CB-CG1 3.91Å
66M92.8Very high93Very high28 Ų2863.7 Ų63.714%0.13836%0.356CS..Hα-helixtrans-69.1-46.4178.3-83.4-69.8-80.600112.4I55 V58 S62 P63 F64 G70 V121 F122I55-M66 HydrophobicContact CG2-CE 3.85Å; V58-M66 HydrophobicContact CG1-CG 4.03Å; V58-M66 HydrophobicContact CG1-SD 4.13Å; S62-M66 PolarHBondContact O-N 2.81Å; S62-M66 VanDerWaalsContact O-N 3.1Å; P63-M66 PolarHBondContact O-N 2.83Å; F64-M66 PolarHBondContact O-N 2.85Å; M66-G70 PolarHBondContact O-N 2.92Å; M66-V121 HydrophobicContact CG-CG1 4.46Å; M66-F122 HydrophobicContact SD-CD2 4.1Å
67I92.6Very high93Very high107 Ų10765.1 Ų65.155%0.54935%0.352SS..Hα-helixtrans-65.3-47.4178.2-68.6169000110.1P63 G69 G70 I71P63-I67 WeakPolarHBondContact O-CB 3.43Å; P63-I67 VanDerWaalsContact O-CG1 3.25Å; P63-I67 WeakPolarHBondContact O-CG1 3.49Å; P63-I67 PolarHBondContact O-N 3.46Å; I67-G69 PolarHBondContact O-N 2.98Å; I67-G70 PolarHBondContact O-N 3.12Å; I67-I71 HydrophobicContact CG2-CD1 3.62Å; I67-I71 HydrophobicContact CG2-CG1 4.27Å; I67-I71 WeakPolarHBondContact O-CB 3.37Å; I67-I71 VanDerWaalsContact O-CG1 3.31Å; I67-I71 WeakPolarHBondContact O-CG1 3.42Å; I67-I71 PolarHBondContact O-N 3Å
68L93.3Very high93.1Very high31 Ų3165.5 Ų65.516%0.16236%0.355CS..Hα-helixtrans-61.1-46.8179.4-178.363.1000111.5F64 G70 I71 V72 F116F64-L68 HydrophobicContact CD1-CD2 4.47Å; F64-L68 HydrophobicContact CE1-CD2 3.74Å; F64-L68 HydrophobicContact CZ-CD2 3.96Å; F64-L68 WeakPolarHBondContact O-CB 3.3Å; F64-L68 PolarHBondContact O-N 2.92Å; L68-G70 VanDerWaalsContact C-N 3.33Å; L68-G70 PolarHBondContact O-N 3.06Å; L68-I71 PolarHBondContact O-N 3.03Å; L68-V72 HydrophobicContact CD1-CG2 4.27Å; L68-V72 WeakPolarHBondContact O-CB 3.25Å; L68-V72 VanDerWaalsContact O-CG2 3.27Å; L68-V72 WeakPolarHBondContact O-CG2 3.22Å; L68-V72 PolarHBondContact O-N 2.79Å; L68-F116 HydrophobicContact CD2-CB 3.49Å; L68-F116 VanDerWaalsContact CD2-CB 3.49Å; L68-F116 HydrophobicContact CD2-CD1 3.82Å; L68-F116 HydrophobicContact CD2-CD2 3.92Å; L68-F116 HydrophobicContact CD2-CG 3.49Å; L68-F116 VanDerWaalsContact CD2-CG 3.49Å; L68-F116 HydrophobicContact CG-CD2 4.5Å
69G92.3Very high93.2Very high1 Ų166.2 Ų66.21%0.0137%0.366CS..Hα-helixtrans-58.2-45.1175.600000112.1N65 I67 V72 V73N65-G69 PolarHBondContact O-N 3.22Å; I67-G69 PolarHBondContact O-N 2.98Å; G69-V72 PolarHBondContact O-N 3.43Å; G69-V73 WeakPolarHBondContact O-CG2 3.45Å; G69-V73 PolarHBondContact O-N 3.31Å
70G92.2Very high93.2Very high27 Ų2768 Ų6828%0.27837%0.368SS..Hα-helixtrans-61.4-47.5176.600000112.9M66 I67 L68 V72 V73 V74M66-G70 PolarHBondContact O-N 2.92Å; I67-G70 PolarHBondContact O-N 3.12Å; L68-G70 VanDerWaalsContact C-N 3.33Å; L68-G70 PolarHBondContact O-N 3.06Å; G70-V72 PolarHBondContact O-N 3.3Å; G70-V73 PolarHBondContact O-N 2.99Å; G70-V74 WeakPolarHBondContact O-CG2 3.43Å; G70-V74 PolarHBondContact O-N 3.35Å
71I94.3Very high93.1Very high87 Ų8762.3 Ų62.345%0.44635%0.347SS..Hα-helixtrans-60.1-47.2177.3-71.7171.8000110.5I67 L68 V73 V74 L75I67-I71 HydrophobicContact CG2-CD1 3.62Å; I67-I71 HydrophobicContact CG2-CG1 4.27Å; I67-I71 WeakPolarHBondContact O-CB 3.37Å; I67-I71 VanDerWaalsContact O-CG1 3.31Å; I67-I71 WeakPolarHBondContact O-CG1 3.42Å; I67-I71 PolarHBondContact O-N 3Å; L68-I71 PolarHBondContact O-N 3.03Å; I71-V73 PolarHBondContact O-N 3.41Å; I71-V74 PolarHBondContact O-N 3.4Å; I71-L75 HydrophobicContact CG2-CD1 3.58Å; I71-L75 HydrophobicContact CG2-CG 4.09Å; I71-L75 WeakPolarHBondContact O-CB 3.33Å; I71-L75 VanDerWaalsContact O-CG 3.28Å; I71-L75 WeakPolarHBondContact O-CG 3.28Å; I71-L75 PolarHBondContact O-N 3.17Å
72V94.6Very high93.1Very high15 Ų1564.7 Ų64.79%0.09135%0.347CS..Hα-helixtrans-60.2-46.2179.5169.60000110.9L68 G69 G70 V74 L75 V76 L112 I113L68-V72 HydrophobicContact CD1-CG2 4.27Å; L68-V72 WeakPolarHBondContact O-CB 3.25Å; L68-V72 VanDerWaalsContact O-CG2 3.27Å; L68-V72 WeakPolarHBondContact O-CG2 3.22Å; L68-V72 PolarHBondContact O-N 2.79Å; G69-V72 PolarHBondContact O-N 3.43Å; G70-V72 PolarHBondContact O-N 3.3Å; V72-V74 PolarHBondContact O-N 2.83Å; V72-L75 PolarHBondContact O-N 3.23Å; V72-V76 HydrophobicContact CG1-CG2 4.14Å; V72-V76 WeakPolarHBondContact O-CB 3.35Å; V72-V76 WeakPolarHBondContact O-CG2 3.23Å; V72-V76 PolarHBondContact O-N 3.49Å; V72-L112 HydrophobicContact CG1-CB 3.64Å; V72-L112 HydrophobicContact CG1-CD1 4.11Å; V72-I113 HydrophobicContact CB-CG1 3.97Å; V72-I113 HydrophobicContact CG1-CD1 4.39Å; V72-I113 HydrophobicContact CG1-CG1 3.77Å; V72-I113 HydrophobicContact CG2-CG1 4.47Å
73V93.6Very high93.1Very high54 Ų5464 Ų6433%0.32734%0.344SS..Hα-helixtrans-60.4-47.9177.71710000111.2G69 G70 I71 F77 I113 F122G69-V73 WeakPolarHBondContact O-CG2 3.45Å; G69-V73 PolarHBondContact O-N 3.31Å; G70-V73 PolarHBondContact O-N 2.99Å; I71-V73 PolarHBondContact O-N 3.41Å; V73-F77 VanDerWaalsContact O-CB 3.22Å; V73-F77 WeakPolarHBondContact O-CB 3.49Å; V73-F77 PolarHBondContact O-N 3.45Å; V73-I113 HydrophobicContact CG2-CD1 4.18Å; V73-F122 HydrophobicContact CG2-CE1 3.69Å; V73-F122 HydrophobicContact CG2-CZ 3.78Å
74V94.9Very high92.9Very high89 Ų8960.7 Ų60.754%0.53932%0.323SS..Hα-helixtrans-63-44.9-179.4170.90000111.4G70 I71 V72 T78G70-V74 WeakPolarHBondContact O-CG2 3.43Å; G70-V74 PolarHBondContact O-N 3.35Å; I71-V74 PolarHBondContact O-N 3.4Å; V72-V74 PolarHBondContact O-N 2.83Å; V74-T78 VanDerWaalsContact O-CB 3.23Å; V74-T78 WeakPolarHBondContact O-CB 3.07Å; V74-T78 PolarHBondContact O-N 3.5Å; V74-T78 PolarHBondContact O-OG1 3.49Å
75L96.1Very high92.8Very high116 Ų11661 Ų6161%0.60733%0.326SS*.Hα-helixtrans-66.1-45.7179.8-72.8178.1000111.9I71 V72 T78 G79I71-L75 HydrophobicContact CG2-CD1 3.58Å; I71-L75 HydrophobicContact CG2-CG 4.09Å; I71-L75 WeakPolarHBondContact O-CB 3.33Å; I71-L75 VanDerWaalsContact O-CG 3.28Å; I71-L75 WeakPolarHBondContact O-CG 3.28Å; I71-L75 PolarHBondContact O-N 3.17Å; V72-L75 PolarHBondContact O-N 3.23Å; L75-T78 PolarHBondContact O-N 2.95Å; L75-G79 PolarHBondContact O-N 2.99Å
76V95.4Very high92.5Very high15 Ų1563.6 Ų63.69%0.09134%0.339CS..Hα-helixtrans-62.9-49.4178.1175.40000109.7V72 T78 G79 F80 V105 A108 L112V72-V76 HydrophobicContact CG1-CG2 4.14Å; V72-V76 WeakPolarHBondContact O-CB 3.35Å; V72-V76 WeakPolarHBondContact O-CG2 3.23Å; V72-V76 PolarHBondContact O-N 3.49Å; V76-T78 PolarHBondContact O-N 3.31Å; V76-G79 PolarHBondContact O-N 3.35Å; V76-F80 HydrophobicContact CG1-CD2 3.73Å; V76-F80 HydrophobicContact CG1-CE2 3.86Å; V76-F80 WeakPolarHBondContact O-CB 3.47Å; V76-F80 VanDerWaalsContact O-CD2 3.3Å; V76-F80 WeakPolarHBondContact O-CD2 3.38Å; V76-F80 PolarHBondContact O-N 3Å; V76-V105 HydrophobicContact CG1-CG1 4.1Å; V76-A108 HydrophobicContact CG1-CB 3.92Å; V76-L112 HydrophobicContact CG2-CD1 3.49Å; V76-L112 VanDerWaalsContact CG2-CD1 3.49Å
77F92.9Very high92.3Very high109 Ų10968.7 Ų68.748%0.47836%0.361SS..Hα-helixtrans-57.7-50.3178.7-179.3-98.3000111.5V73 G79 F80 V81 V105V73-F77 VanDerWaalsContact O-CB 3.22Å; V73-F77 WeakPolarHBondContact O-CB 3.49Å; V73-F77 PolarHBondContact O-N 3.45Å; F77-G79 PolarHBondContact O-N 3.49Å; F77-F80 PolarHBondContact O-N 3.41Å; F77-V81 HydrophobicContact CD1-CG2 4.2Å; F77-V81 HydrophobicContact CD2-CG2 4.48Å; F77-V81 HydrophobicContact CE1-CG2 3.84Å; F77-V81 HydrophobicContact CE2-CG2 4.14Å; F77-V81 HydrophobicContact CZ-CG2 3.81Å; F77-V81 WeakPolarHBondContact O-CB 3.06Å; F77-V81 VanDerWaalsContact O-CG2 3.28Å; F77-V81 WeakPolarHBondContact O-CG2 3.32Å; F77-V81 PolarHBondContact O-N 2.86Å; F77-V105 HydrophobicContact CB-CG1 4.27Å; F77-V105 HydrophobicContact CD2-CG1 4.23Å
78T93.9Very high91.9Very high79 Ų7967.7 Ų67.749%0.48536%0.356SS..Hα-helixtrans-63.6-42.3-179.8-54.60000111.6V74 L75 V76 V81 W82V74-T78 VanDerWaalsContact O-CB 3.23Å; V74-T78 WeakPolarHBondContact O-CB 3.07Å; V74-T78 PolarHBondContact O-N 3.5Å; V74-T78 PolarHBondContact O-OG1 3.49Å; L75-T78 PolarHBondContact O-N 2.95Å; V76-T78 PolarHBondContact O-N 3.31Å; T78-V81 PolarHBondContact O-N 2.72Å; T78-W82 VanDerWaalsContact O-CB 3.24Å; T78-W82 WeakPolarHBondContact O-CB 2.99Å; T78-W82 PolarHBondContact O-N 3.34Å
79G94.4Very high91.5Very high35 Ų3569.2 Ų69.236%0.36137%0.374SS..Hα-helixtrans-61.9-43.5176.600000112.7L75 V76 F77 A83L75-G79 PolarHBondContact O-N 2.99Å; V76-G79 PolarHBondContact O-N 3.35Å; F77-G79 PolarHBondContact O-N 3.49Å; G79-A83 VanDerWaalsContact O-CB 3.23Å; G79-A83 WeakPolarHBondContact O-CB 3.32Å; G79-A83 PolarHBondContact O-N 2.9Å
80F91.3Very high91Very high57 Ų5771 Ų7125%0.2538%0.383CS..Hα-helixtrans-69-39.9176-91.3-98.4000112.5V76 F77 A83 A84 L90 F101 V104 V105 A108V76-F80 HydrophobicContact CG1-CD2 3.73Å; V76-F80 HydrophobicContact CG1-CE2 3.86Å; V76-F80 WeakPolarHBondContact O-CB 3.47Å; V76-F80 VanDerWaalsContact O-CD2 3.3Å; V76-F80 WeakPolarHBondContact O-CD2 3.38Å; V76-F80 PolarHBondContact O-N 3Å; F77-F80 PolarHBondContact O-N 3.41Å; F80-A83 PolarHBondContact O-N 3.45Å; F80-A84 VanDerWaalsContact O-CB 3.27Å; F80-A84 WeakPolarHBondContact O-CB 3.35Å; F80-A84 PolarHBondContact O-N 3.28Å; F80-L90 HydrophobicContact CD1-CD2 4.35Å; F80-F101 HydrophobicContact CB-CE2 4.39Å; F80-F101 HydrophobicContact CB-CZ 3.92Å; F80-F101 HydrophobicContact CD1-CE2 4.25Å; F80-V104 HydrophobicContact CE1-CG1 3.68Å; F80-V104 HydrophobicContact CZ-CG1 4Å; F80-V105 HydrophobicContact CB-CG2 3.7Å; F80-V105 HydrophobicContact CD1-CG2 3.97Å; F80-V105 HydrophobicContact CD2-CG2 4.21Å; F80-V105 HydrophobicContact CG-CG2 3.7Å; F80-A108 HydrophobicContact CE2-CB 4.21Å; F80-A108 HydrophobicContact CZ-CB 4.44Å
81V90.7Very high90.8Very high52 Ų5275.1 Ų75.132%0.31539%0.39SS..Hα-helixtrans-63.7-44.4175.6168.70000110.7F77 T78 A84 H85F77-V81 HydrophobicContact CD1-CG2 4.2Å; F77-V81 HydrophobicContact CD2-CG2 4.48Å; F77-V81 HydrophobicContact CE1-CG2 3.84Å; F77-V81 HydrophobicContact CE2-CG2 4.14Å; F77-V81 HydrophobicContact CZ-CG2 3.81Å; F77-V81 WeakPolarHBondContact O-CB 3.06Å; F77-V81 VanDerWaalsContact O-CG2 3.28Å; F77-V81 WeakPolarHBondContact O-CG2 3.32Å; F77-V81 PolarHBondContact O-N 2.86Å; T78-V81 PolarHBondContact O-N 2.72Å; V81-A84 PolarHBondContact O-N 3.01Å; V81-H85 PolarHBondContact O-N 3.4Å
82W93.1Very high90.5Very high176 Ų17678.3 Ų78.367%0.66740%0.397SS*.Hα-helixtrans-63.6-44.3174.8178.885.5000111.4T78 A84 H85 N86T78-W82 VanDerWaalsContact O-CB 3.24Å; T78-W82 WeakPolarHBondContact O-CB 2.99Å; T78-W82 PolarHBondContact O-N 3.34Å; W82-A84 VanDerWaalsContact C-N 3.29Å; W82-A84 PolarHBondContact O-N 2.9Å; W82-H85 WeakPolarHBondContact O-CA 3.43Å; W82-H85 VanDerWaalsContact O-CB 3.31Å; W82-H85 WeakPolarHBondContact O-CB 3.25Å; W82-H85 PolarHBondContact O-N 2.95Å; W82-N86 PolarHBondContact NE1-ND2 3.15Å; W82-N86 PolarHBondContact O-N 3.22Å; W82-N86 VanDerWaalsContact O-N 3.1Å; W82-N86 PolarHBondContact O-ND2 2.9Å
83A90.9Very high90.1Very high20 Ų2080.2 Ų80.217%0.16541%0.406CS..Hα-helixtrans-63.6-35.9176.200000112.1G79 F80 H85 N86 K87 L90G79-A83 VanDerWaalsContact O-CB 3.23Å; G79-A83 WeakPolarHBondContact O-CB 3.32Å; G79-A83 PolarHBondContact O-N 2.9Å; F80-A83 PolarHBondContact O-N 3.45Å; A83-H85 VanDerWaalsContact C-N 3.25Å; A83-H85 PolarHBondContact O-N 2.96Å; A83-N86 PolarHBondContact O-N 3.14Å; A83-K87 WeakPolarHBondContact O-CB 3.31Å; A83-K87 PolarHBondContact O-N 3Å; A83-L90 HydrophobicContact CB-CD1 3.74Å
84A89.1Confident89.7Confident0 Ų081.3 Ų81.30%041%0.406CS..Hα-helixtrans-71-17.7172.900000113.7F80 V81 W82 L90 R91 K94 F101F80-A84 VanDerWaalsContact O-CB 3.27Å; F80-A84 WeakPolarHBondContact O-CB 3.35Å; F80-A84 PolarHBondContact O-N 3.28Å; V81-A84 PolarHBondContact O-N 3.01Å; W82-A84 VanDerWaalsContact C-N 3.29Å; W82-A84 PolarHBondContact O-N 2.9Å; A84-L90 HydrophobicContact CB-CB 3.98Å; A84-R91 VanDerWaalsContact O-CA 3.31Å; A84-R91 WeakPolarHBondContact O-CA 3.28Å; A84-R91 WeakPolarHBondContact O-CB 3.34Å; A84-R91 WeakPolarHBondContact O-CG 3.42Å; A84-K94 HydrophobicContact CB-CB 4.4Å; A84-K94 HydrophobicContact CB-CD 4.15Å; A84-F101 HydrophobicContact CB-CE2 4.05Å; A84-F101 HydrophobicContact CB-CZ 4.19Å
85H88.7Confident89.4Confident146 Ų14684.6 Ų84.668%0.67641%0.413SS*.Hα-helixtrans-78.4-42.3170.2-171.2-92.4000111.1V81 W82 A83V81-H85 PolarHBondContact O-N 3.4Å; W82-H85 WeakPolarHBondContact O-CA 3.43Å; W82-H85 VanDerWaalsContact O-CB 3.31Å; W82-H85 WeakPolarHBondContact O-CB 3.25Å; W82-H85 PolarHBondContact O-N 2.95Å; A83-H85 VanDerWaalsContact C-N 3.25Å; A83-H85 PolarHBondContact O-N 2.96Å
86N85.2Confident89Confident91 Ų9188.1 Ų88.149%0.48742%0.418SS..Hα-helixtrans-91-24-172-64-71.3000114.5W82 A83W82-N86 PolarHBondContact NE1-ND2 3.15Å; W82-N86 PolarHBondContact O-N 3.22Å; W82-N86 VanDerWaalsContact O-N 3.1Å; W82-N86 PolarHBondContact O-ND2 2.9Å; A83-N86 PolarHBondContact O-N 3.14Å
87K88.3Confident88.7Confident135 Ų13593 Ų9359%0.58744%0.436SS*.  trans-113.3124.1-179.2-62.5-168.4177.4-175.60111.4A83 A89 L90 R91A83-K87 WeakPolarHBondContact O-CB 3.31Å; A83-K87 PolarHBondContact O-N 3Å; K87-A89 VanDerWaalsContact C-N 3.29Å; K87-A89 PolarHBondContact O-N 3.13Å; K87-L90 HydrophobicContact CB-CD1 4.25Å; K87-L90 HydrophobicContact CD-CD1 4.23Å; K87-L90 PolarHBondContact O-N 3.33Å; K87-R91 WeakPolarHBondContact O-CB 3.42Å; K87-R91 PolarHBondContact O-N 2.92Å
88D85.4Confident88.4Confident86 Ų8691.3 Ų91.346%0.4644%0.436SS..Hα-helixtrans-61.4-33.6-178.3-79.7-48.4000114.1R91 R92D88-R91 PolarHBondContact O-N 3.49Å; D88-R91 IonicContact OD1-CZ 3.33Å; D88-R91 IonicContact OD1-NE 3.21Å; D88-R91 PolarHBondContact OD1-NE 3.42Å; D88-R91 IonicContact OD1-NH2 2.77Å; D88-R91 PolarHBondContact OD1-NH2 2.88Å; D88-R92 WeakPolarHBondContact O-CB 3.19Å; D88-R92 VanDerWaalsContact O-CG 3.29Å; D88-R92 WeakPolarHBondContact O-CG 3.27Å; D88-R92 PolarHBondContact O-N 2.96Å
89A83.8Confident88Confident64 Ų6492.4 Ų92.453%0.52944%0.443SS..Hα-helixtrans-63.4-47.9177.700000112.1K87 R92 L93K87-A89 VanDerWaalsContact C-N 3.29Å; K87-A89 PolarHBondContact O-N 3.13Å; A89-R92 PolarHBondContact O-N 3Å; A89-L93 PolarHBondContact O-N 2.9Å
90L83.3Confident87.8Confident39 Ų3993.9 Ų93.920%0.20445%0.445CS..Hα-helixtrans-69.9-35177.1-79.6153.7000111.5F80 A83 A84 K87 R92 L93 K94 F101F80-L90 HydrophobicContact CD1-CD2 4.35Å; A83-L90 HydrophobicContact CB-CD1 3.74Å; A84-L90 HydrophobicContact CB-CB 3.98Å; K87-L90 HydrophobicContact CB-CD1 4.25Å; K87-L90 HydrophobicContact CD-CD1 4.23Å; K87-L90 PolarHBondContact O-N 3.33Å; L90-R92 VanDerWaalsContact C-N 3.35Å; L90-R92 PolarHBondContact O-N 3.12Å; L90-L93 PolarHBondContact O-N 2.81Å; L90-K94 WeakPolarHBondContact O-CB 3.42Å; L90-K94 PolarHBondContact O-N 2.85Å; L90-F101 HydrophobicContact CD2-CE2 4.38Å
91R87.6Confident87.7Confident112 Ų11291.6 Ų91.642%0.42344%0.435SS..Hα-helixtrans-58.5-46.6171.9-164.9167.867.8143.1-2.8111.7A84 K87 D88 K95A84-R91 VanDerWaalsContact O-CA 3.31Å; A84-R91 WeakPolarHBondContact O-CA 3.28Å; A84-R91 WeakPolarHBondContact O-CB 3.34Å; A84-R91 WeakPolarHBondContact O-CG 3.42Å; K87-R91 WeakPolarHBondContact O-CB 3.42Å; K87-R91 PolarHBondContact O-N 2.92Å; D88-R91 PolarHBondContact O-N 3.49Å; D88-R91 IonicContact OD1-CZ 3.33Å; D88-R91 IonicContact OD1-NE 3.21Å; D88-R91 PolarHBondContact OD1-NE 3.42Å; D88-R91 IonicContact OD1-NH2 2.77Å; D88-R91 PolarHBondContact OD1-NH2 2.88Å; R91-K95 WeakPolarHBondContact O-CG 3.31Å; R91-K95 PolarHBondContact O-N 3.37Å; R91-K95 VanDerWaalsContact O-N 3.1Å
92R88.1Confident87.7Confident155 Ų15592.6 Ų92.659%0.58544%0.441SS*.Hα-helixtrans-66.1-42.3176.9-74.5-172.2-60-101.43.5111.8D88 A89 L90 K95 R96D88-R92 WeakPolarHBondContact O-CB 3.19Å; D88-R92 VanDerWaalsContact O-CG 3.29Å; D88-R92 WeakPolarHBondContact O-CG 3.27Å; D88-R92 PolarHBondContact O-N 2.96Å; A89-R92 PolarHBondContact O-N 3Å; L90-R92 VanDerWaalsContact C-N 3.35Å; L90-R92 PolarHBondContact O-N 3.12Å; R92-K95 PolarHBondContact O-N 3.32Å; R92-R96 WeakPolarHBondContact O-CB 3.47Å; R92-R96 PolarHBondContact O-N 3.1Å
93L85.1Confident87.6Confident55 Ų5589.4 Ų89.429%0.28844%0.435SS..Hα-helixtrans-59.6-50.1175.7-178.466.2000111.1A89 L90 K95 R96 Y97 T100 F101A89-L93 PolarHBondContact O-N 2.9Å; L90-L93 PolarHBondContact O-N 2.81Å; L93-K95 VanDerWaalsContact C-N 3.31Å; L93-K95 PolarHBondContact O-N 3.11Å; L93-R96 PolarHBondContact O-N 3.38Å; L93-Y97 HydrophobicContact CD1-CD2 4.15Å; L93-Y97 CarbonylContact O-C 3.29Å; L93-Y97 VanDerWaalsContact O-C 3.29Å; L93-Y97 WeakPolarHBondContact O-CA 3.48Å; L93-Y97 PolarHBondContact O-N 3.47Å; L93-T100 HydrophobicContact CD1-CG2 4.49Å; L93-F101 HydrophobicContact CD2-CD2 4.44Å
94K86.4Confident87.7Confident76 Ų7691.1 Ų91.133%0.3344%0.443SS..Hα-helixtrans-57.5-41.9177.7-172.6-177.276.5175.10112.6A84 L90 P98 F101A84-K94 HydrophobicContact CB-CB 4.4Å; A84-K94 HydrophobicContact CB-CD 4.15Å; L90-K94 WeakPolarHBondContact O-CB 3.42Å; L90-K94 PolarHBondContact O-N 2.85Å; K94-P98 WeakPolarHBondContact O-CA 3.46Å; K94-F101 HydrophobicContact CB-CD1 4.46Å; K94-F101 HydrophobicContact CB-CD2 3.96Å; K94-F101 HydrophobicContact CB-CE2 4.19Å; K94-F101 HydrophobicContact CB-CG 4.09Å; K94-F101 HydrophobicContact CD-CE1 4.24Å; K94-F101 HydrophobicContact CD-CZ 4.3Å; K94-F101 HydrophobicContact CG-CD1 4.05Å; K94-F101 HydrophobicContact CG-CD2 4.41Å; K94-F101 HydrophobicContact CG-CE1 4.17Å; K94-F101 HydrophobicContact CG-CG 4.17Å; K94-F101 HydrophobicContact CG-CZ 4.4Å
95K87.8Confident87.9Confident159 Ų15991.6 Ų91.669%0.69145%0.446SS*.Hα-helixtrans-76.2-40.7-179.2-75.9-172.1174.9-170.70113.3R91 R92 L93R91-K95 WeakPolarHBondContact O-CG 3.31Å; R91-K95 PolarHBondContact O-N 3.37Å; R91-K95 VanDerWaalsContact O-N 3.1Å; R92-K95 PolarHBondContact O-N 3.32Å; L93-K95 VanDerWaalsContact C-N 3.31Å; L93-K95 PolarHBondContact O-N 3.11Å
96R88.4Confident88Confident189 Ų18990.3 Ų90.371%0.71344%0.442SS*.Hα-helixtrans-86.2-34-173.5-166.9173.2-176.7170.52.9112.7R92 L93R92-R96 WeakPolarHBondContact O-CB 3.47Å; R92-R96 PolarHBondContact O-N 3.1Å; L93-R96 PolarHBondContact O-N 3.38Å
97Y87.4Confident88.5Confident117 Ų11791.2 Ų91.246%0.45945%0.446SS..  trans-136.468-177.6-55.6-69000110.6L93 T99 T100 F101L93-Y97 HydrophobicContact CD1-CD2 4.15Å; L93-Y97 CarbonylContact O-C 3.29Å; L93-Y97 VanDerWaalsContact O-C 3.29Å; L93-Y97 WeakPolarHBondContact O-CA 3.48Å; L93-Y97 PolarHBondContact O-N 3.47Å; Y97-T99 VanDerWaalsContact C-N 3.27Å; Y97-T99 PolarHBondContact O-N 3.41Å; Y97-T100 PolarHBondContact O-N 2.99Å; Y97-F101 PolarHBondContact O-N 3.49Å
98P87Confident88.8Confident74 Ų7486.1 Ų86.148%0.48143%0.429SS..Hα-helixtrans-60.2-36.3-176.823.9-33.8000112.6K94 F101 V102K94-P98 WeakPolarHBondContact O-CA 3.46Å; P98-F101 WeakPolarHBondContact O-CB 3.46Å; P98-F101 PolarHBondContact O-N 2.87Å; P98-V102 WeakPolarHBondContact O-CG2 3.41Å; P98-V102 PolarHBondContact O-N 3.32Å
99T86.9Confident89.2Confident102 Ų10282.3 Ų82.363%0.62641%0.409SS*.Hα-helixtrans-64.7-48.7176.350.60000111.6Y97 F101 V102 M103Y97-T99 VanDerWaalsContact C-N 3.27Å; Y97-T99 PolarHBondContact O-N 3.41Å; T99-F101 VanDerWaalsContact C-N 3.27Å; T99-F101 PolarHBondContact O-N 2.91Å; T99-V102 PolarHBondContact O-N 3.37Å; T99-M103 WeakPolarHBondContact O-CG 3.41Å; T99-M103 PolarHBondContact O-N 2.85Å
100T88.3Confident89.6Confident66 Ų6685.9 Ų85.941%0.40541%0.41SS..Hα-helixtrans-59.2-39.8175.2-51.30000111.5L93 Y97 M103 V104L93-T100 HydrophobicContact CD1-CG2 4.49Å; Y97-T100 PolarHBondContact O-N 2.99Å; T100-M103 PolarHBondContact O-N 3.25Å; T100-V104 WeakPolarHBondContact O-CG2 3.27Å; T100-V104 PolarHBondContact O-N 3.44Å
101F89.8Confident90.1Very high9 Ų990.1 Ų90.14%0.03943%0.427CS..Hα-helixtrans-60.1-46.9175.6179.9-93.9000111.9F80 A84 L90 L93 K94 Y97 P98 T99 V104 V105F80-F101 HydrophobicContact CB-CE2 4.39Å; F80-F101 HydrophobicContact CB-CZ 3.92Å; F80-F101 HydrophobicContact CD1-CE2 4.25Å; A84-F101 HydrophobicContact CB-CE2 4.05Å; A84-F101 HydrophobicContact CB-CZ 4.19Å; L90-F101 HydrophobicContact CD2-CE2 4.38Å; L93-F101 HydrophobicContact CD2-CD2 4.44Å; K94-F101 HydrophobicContact CB-CD1 4.46Å; K94-F101 HydrophobicContact CB-CD2 3.96Å; K94-F101 HydrophobicContact CB-CE2 4.19Å; K94-F101 HydrophobicContact CB-CG 4.09Å; K94-F101 HydrophobicContact CD-CE1 4.24Å; K94-F101 HydrophobicContact CD-CZ 4.3Å; K94-F101 HydrophobicContact CG-CD1 4.05Å; K94-F101 HydrophobicContact CG-CD2 4.41Å; K94-F101 HydrophobicContact CG-CE1 4.17Å; K94-F101 HydrophobicContact CG-CG 4.17Å; K94-F101 HydrophobicContact CG-CZ 4.4Å; Y97-F101 PolarHBondContact O-N 3.49Å; P98-F101 WeakPolarHBondContact O-CB 3.46Å; P98-F101 PolarHBondContact O-N 2.87Å; T99-F101 VanDerWaalsContact C-N 3.27Å; T99-F101 PolarHBondContact O-N 2.91Å; F101-V104 PolarHBondContact O-N 3.49Å; F101-V105 HydrophobicContact CE1-CG2 4.24Å; F101-V105 HydrophobicContact CZ-CG2 4.47Å; F101-V105 WeakPolarHBondContact O-CG2 3.47Å; F101-V105 PolarHBondContact O-N 3.38Å; F101-V105 VanDerWaalsContact O-N 3.12Å
102V90.4Very high90.4Very high73 Ų7387.9 Ų87.944%0.44242%0.423SS..Hα-helixtrans-63.2-42.4175.71740000111.3P98 T99 V104 V105 M106P98-V102 WeakPolarHBondContact O-CG2 3.41Å; P98-V102 PolarHBondContact O-N 3.32Å; T99-V102 PolarHBondContact O-N 3.37Å; V102-V104 VanDerWaalsContact C-N 3.34Å; V102-V104 PolarHBondContact O-N 3.02Å; V102-V105 WeakPolarHBondContact O-CB 3.38Å; V102-V105 PolarHBondContact O-N 3.43Å; V102-M106 HydrophobicContact CG1-CG 4.27Å; V102-M106 HydrophobicContact CG1-SD 4.17Å; V102-M106 WeakPolarHBondContact O-CG 3.39Å; V102-M106 PolarHBondContact O-N 3.47Å
103M91.6Very high90.6Very high110 Ų11081 Ų8154%0.54240%0.397SS..Hα-helixtrans-59.4-42.8177.1-72-63.8-67.600112.2T99 T100 M106 L107T99-M103 WeakPolarHBondContact O-CG 3.41Å; T99-M103 PolarHBondContact O-N 2.85Å; T100-M103 PolarHBondContact O-N 3.25Å; M103-M106 PolarHBondContact O-N 3.3Å; M103-L107 WeakPolarHBondContact O-CB 3.42Å; M103-L107 VanDerWaalsContact O-CG 3.25Å; M103-L107 WeakPolarHBondContact O-CG 3.43Å; M103-L107 PolarHBondContact O-N 3.18Å
104V92.4Very high90.9Very high56 Ų5680.6 Ų80.634%0.33940%0.399SS..Hα-helixtrans-62.8-43176170.50000111.2F80 T100 F101 V102 L107 A108F80-V104 HydrophobicContact CE1-CG1 3.68Å; F80-V104 HydrophobicContact CZ-CG1 4Å; T100-V104 WeakPolarHBondContact O-CG2 3.27Å; T100-V104 PolarHBondContact O-N 3.44Å; F101-V104 PolarHBondContact O-N 3.49Å; V102-V104 VanDerWaalsContact C-N 3.34Å; V102-V104 PolarHBondContact O-N 3.02Å; V104-L107 PolarHBondContact O-N 3.24Å; V104-A108 WeakPolarHBondContact O-CB 3.39Å; V104-A108 PolarHBondContact O-N 3.49Å
105V93.1Very high91.1Very high10 Ų1083.2 Ų83.26%0.06141%0.414CS..Hα-helixtrans-61-47.3175.6169.20000110.9V76 F77 F80 F101 V102 L107 A108 S109V76-V105 HydrophobicContact CG1-CG1 4.1Å; F77-V105 HydrophobicContact CB-CG1 4.27Å; F77-V105 HydrophobicContact CD2-CG1 4.23Å; F80-V105 HydrophobicContact CB-CG2 3.7Å; F80-V105 HydrophobicContact CD1-CG2 3.97Å; F80-V105 HydrophobicContact CD2-CG2 4.21Å; F80-V105 HydrophobicContact CG-CG2 3.7Å; F101-V105 HydrophobicContact CE1-CG2 4.24Å; F101-V105 HydrophobicContact CZ-CG2 4.47Å; F101-V105 WeakPolarHBondContact O-CG2 3.47Å; F101-V105 PolarHBondContact O-N 3.38Å; F101-V105 VanDerWaalsContact O-N 3.12Å; V102-V105 WeakPolarHBondContact O-CB 3.38Å; V102-V105 PolarHBondContact O-N 3.43Å; V105-L107 PolarHBondContact O-N 3.08Å; V105-A108 PolarHBondContact O-N 2.81Å; V105-S109 PolarHBondContact O-N 3.32Å; V105-S109 PolarHBondContact O-OG 2.93Å
106M92.4Very high91.1Very high119 Ų11981.1 Ų81.159%0.58641%0.405SS*.Hα-helixtrans-61.9-43.1178.6-71.5-172.271.200112.4V102 M103 S109 Y110V102-M106 HydrophobicContact CG1-CG 4.27Å; V102-M106 HydrophobicContact CG1-SD 4.17Å; V102-M106 WeakPolarHBondContact O-CG 3.39Å; V102-M106 PolarHBondContact O-N 3.47Å; M103-M106 PolarHBondContact O-N 3.3Å; M106-S109 PolarHBondContact O-N 3.44Å; M106-Y110 WeakPolarHBondContact O-CB 3.34Å; M106-Y110 PolarHBondContact O-N 2.96Å
107L94.6Very high91Very high110 Ų11075.1 Ų75.158%0.57640%0.402SS*.Hα-helixtrans-63.9-42.3176.8-73.8170000111.8M103 V104 V105 Y110 F111M103-L107 WeakPolarHBondContact O-CB 3.42Å; M103-L107 VanDerWaalsContact O-CG 3.25Å; M103-L107 WeakPolarHBondContact O-CG 3.43Å; M103-L107 PolarHBondContact O-N 3.18Å; V104-L107 PolarHBondContact O-N 3.24Å; V105-L107 PolarHBondContact O-N 3.08Å; L107-Y110 PolarHBondContact O-N 3.24Å; L107-F111 WeakPolarHBondContact O-CB 3.27Å; L107-F111 PolarHBondContact O-N 3.41Å
108A94.4Very high91Very high27 Ų2769.6 Ų69.622%0.22338%0.381CS..Hα-helixtrans-63.7-44.6176.100000111.6V76 F80 V104 V105 F111 L112V76-A108 HydrophobicContact CG1-CB 3.92Å; F80-A108 HydrophobicContact CE2-CB 4.21Å; F80-A108 HydrophobicContact CZ-CB 4.44Å; V104-A108 WeakPolarHBondContact O-CB 3.39Å; V104-A108 PolarHBondContact O-N 3.49Å; V105-A108 PolarHBondContact O-N 2.81Å; A108-F111 PolarHBondContact O-N 3.46Å; A108-L112 WeakPolarHBondContact O-CG 3Å; A108-L112 PolarHBondContact O-N 2.97Å
109S93.3Very high91.1Very high6 Ų666.9 Ų66.94%0.04236%0.363CS..Hα-helixtrans-61.5-44.9174.3-64.40000111.9V105 M106 F111 L112 I113V105-S109 PolarHBondContact O-N 3.32Å; V105-S109 PolarHBondContact O-OG 2.93Å; M106-S109 PolarHBondContact O-N 3.44Å; S109-F111 PolarHBondContact O-N 3.24Å; S109-L112 PolarHBondContact O-N 3.47Å; S109-I113 WeakPolarHBondContact O-CB 3.42Å; S109-I113 WeakPolarHBondContact O-CG1 3.49Å; S109-I113 PolarHBondContact O-N 3.38Å
110Y93.3Very high91.2Very high139 Ų13969.2 Ų69.255%0.54537%0.369SS..Hα-helixtrans-57.7-49.5176.3175.5-88.3000111.6M106 L107 L112 I113 S114 V119M106-Y110 WeakPolarHBondContact O-CB 3.34Å; M106-Y110 PolarHBondContact O-N 2.96Å; L107-Y110 PolarHBondContact O-N 3.24Å; Y110-L112 PolarHBondContact O-N 3.01Å; Y110-I113 PolarHBondContact O-N 2.92Å; Y110-S114 WeakPolarHBondContact O-CB 3.26Å; Y110-S114 PolarHBondContact O-N 2.85Å; Y110-V119 HydrophobicContact CD2-CG1 3.84Å; Y110-V119 HydrophobicContact CE2-CG1 3.42Å; Y110-V119 VanDerWaalsContact CE2-CG1 3.42Å; Y110-V119 HydrophobicContact CE2-CG2 4.49Å
111F94.1Very high91.2Very high129 Ų12968 Ų6857%0.56636%0.361SS*.Hα-helixtrans-58.1-47.6178.9-180-99.3000111.4L107 A108 S109 S114 M115L107-F111 WeakPolarHBondContact O-CB 3.27Å; L107-F111 PolarHBondContact O-N 3.41Å; A108-F111 PolarHBondContact O-N 3.46Å; S109-F111 PolarHBondContact O-N 3.24Å; F111-S114 WeakPolarHBondContact O-CB 3.34Å; F111-S114 PolarHBondContact O-N 3.49Å; F111-S114 PolarHBondContact O-OG 3.29Å; F111-M115 HydrophobicContact CE1-SD 4Å; F111-M115 PolarHBondContact O-N 2.97Å
112L92.7Very high91.2Very high65 Ų6568.8 Ų68.834%0.3437%0.365SS..Hα-helixtrans-64.5-44.2179.3-71.7173.8000112.7V72 V76 A108 S109 Y110 S114 M115 F116V72-L112 HydrophobicContact CG1-CB 3.64Å; V72-L112 HydrophobicContact CG1-CD1 4.11Å; V76-L112 HydrophobicContact CG2-CD1 3.49Å; V76-L112 VanDerWaalsContact CG2-CD1 3.49Å; A108-L112 WeakPolarHBondContact O-CG 3Å; A108-L112 PolarHBondContact O-N 2.97Å; S109-L112 PolarHBondContact O-N 3.47Å; Y110-L112 PolarHBondContact O-N 3.01Å; L112-S114 PolarHBondContact O-N 3.1Å; L112-M115 HydrophobicContact CD2-SD 4.29Å; L112-M115 WeakPolarHBondContact O-CB 3.46Å; L112-M115 PolarHBondContact O-N 3.41Å; L112-F116 WeakPolarHBondContact O-CD2 3.24Å
113I92.3Very high91.2Very high9 Ų968.2 Ų68.25%0.04636%0.361CS..Hα-helixtrans-64.2-32.7177.2-61.9168000110.6V72 V73 S109 Y110 M115 F116 G117 V119 F122V72-I113 HydrophobicContact CB-CG1 3.97Å; V72-I113 HydrophobicContact CG1-CD1 4.39Å; V72-I113 HydrophobicContact CG1-CG1 3.77Å; V72-I113 HydrophobicContact CG2-CG1 4.47Å; V73-I113 HydrophobicContact CG2-CD1 4.18Å; S109-I113 WeakPolarHBondContact O-CB 3.42Å; S109-I113 WeakPolarHBondContact O-CG1 3.49Å; S109-I113 PolarHBondContact O-N 3.38Å; Y110-I113 PolarHBondContact O-N 2.92Å; I113-M115 VanDerWaalsContact C-N 3.28Å; I113-M115 PolarHBondContact O-N 3.23Å; I113-F116 PolarHBondContact O-N 3.38Å; I113-F116 VanDerWaalsContact O-N 3.1Å; I113-G117 PolarHBondContact O-N 3Å; I113-V119 HydrophobicContact CB-CG2 3.98Å; I113-V119 HydrophobicContact CG2-CB 4.31Å; I113-V119 HydrophobicContact CG2-CG2 3.67Å; I113-F122 HydrophobicContact CD1-CD1 3.72Å; I113-F122 HydrophobicContact CD1-CE1 3.89Å; I113-F122 HydrophobicContact CD1-CG 4.43Å
114S91.4Very high91.1Very high48 Ų4867.8 Ų67.834%0.33636%0.357SS..Hα-helixtrans-63.4-32.117880.70000113.2Y110 F111 L112 F116 G117 V119Y110-S114 WeakPolarHBondContact O-CB 3.26Å; Y110-S114 PolarHBondContact O-N 2.85Å; F111-S114 WeakPolarHBondContact O-CB 3.34Å; F111-S114 PolarHBondContact O-N 3.49Å; F111-S114 PolarHBondContact O-OG 3.29Å; L112-S114 PolarHBondContact O-N 3.1Å; S114-F116 PolarHBondContact O-N 3.3Å; S114-G117 PolarHBondContact O-N 2.85Å; S114-G117 VanDerWaalsContact O-N 3.15Å; S114-V119 VanDerWaalsContact N-CG2 3.28Å
115M91Very high91Very high130 Ų13065.1 Ų65.164%0.6434%0.341SS*.THydrogen-bonded Turntrans-63.2-22.8175.6-60.7-177.670.200112.9F111 L112 I113F111-M115 HydrophobicContact CE1-SD 4Å; F111-M115 PolarHBondContact O-N 2.97Å; L112-M115 HydrophobicContact CD2-SD 4.29Å; L112-M115 WeakPolarHBondContact O-CB 3.46Å; L112-M115 PolarHBondContact O-N 3.41Å; I113-M115 VanDerWaalsContact C-N 3.28Å; I113-M115 PolarHBondContact O-N 3.23Å
116F88.3Confident90.8Very high115 Ų11568.2 Ų68.250%0.50436%0.356SS..THydrogen-bonded Turntrans-104.24.1179.7-59.8-82.1000113.4L68 L112 I113 S114 G118L68-F116 HydrophobicContact CD2-CB 3.49Å; L68-F116 VanDerWaalsContact CD2-CB 3.49Å; L68-F116 HydrophobicContact CD2-CD1 3.82Å; L68-F116 HydrophobicContact CD2-CD2 3.92Å; L68-F116 HydrophobicContact CD2-CG 3.49Å; L68-F116 VanDerWaalsContact CD2-CG 3.49Å; L68-F116 HydrophobicContact CG-CD2 4.5Å; L112-F116 WeakPolarHBondContact O-CD2 3.24Å; I113-F116 PolarHBondContact O-N 3.38Å; I113-F116 VanDerWaalsContact O-N 3.1Å; S114-F116 PolarHBondContact O-N 3.3Å; F116-G118 PolarHBondContact O-N 3.4Å; F116-G118 VanDerWaalsContact O-N 3.11Å
117G86.1Confident90.8Very high63 Ų6365.8 Ų65.865%0.64935%0.348SS*.THydrogen-bonded Turntrans68.74.1179.300000115.7I113 S114 V119I113-G117 PolarHBondContact O-N 3Å; S114-G117 PolarHBondContact O-N 2.85Å; S114-G117 VanDerWaalsContact O-N 3.15Å; G117-V119 PolarHBondContact O-N 2.88Å
118G88.2Confident90.7Very high2 Ų263.3 Ų63.32%0.02133%0.333CS..  trans-87.20.4-173.200000115.6F116 M120 V121 F122F116-G118 PolarHBondContact O-N 3.4Å; F116-G118 VanDerWaalsContact O-N 3.11Å; G118-M120 PolarHBondContact O-N 3.11Å; G118-V121 PolarHBondContact O-N 2.95Å; G118-F122 WeakPolarHBondContact O-CB 3.48Å; G118-F122 PolarHBondContact O-N 2.93Å
119V88.1Confident90.6Very high17 Ų1762.3 Ų62.310%0.10332%0.324CS..Hα-helixtrans-57.8-50.7-170.1173.70000111.8Y110 I113 S114 G117 V121 F122 V123Y110-V119 HydrophobicContact CD2-CG1 3.84Å; Y110-V119 HydrophobicContact CE2-CG1 3.42Å; Y110-V119 VanDerWaalsContact CE2-CG1 3.42Å; Y110-V119 HydrophobicContact CE2-CG2 4.49Å; I113-V119 HydrophobicContact CB-CG2 3.98Å; I113-V119 HydrophobicContact CG2-CB 4.31Å; I113-V119 HydrophobicContact CG2-CG2 3.67Å; S114-V119 VanDerWaalsContact N-CG2 3.28Å; G117-V119 PolarHBondContact O-N 2.88Å; V119-V121 VanDerWaalsContact C-N 3.34Å; V119-V121 PolarHBondContact O-N 3.47Å; V119-F122 PolarHBondContact O-N 2.95Å; V119-V123 HydrophobicContact CG1-CG2 3.98Å; V119-V123 VanDerWaalsContact O-CB 3.3Å; V119-V123 WeakPolarHBondContact O-CB 3.47Å; V119-V123 VanDerWaalsContact O-CG2 3.25Å; V119-V123 WeakPolarHBondContact O-CG2 3.34Å; V119-V123 PolarHBondContact O-N 3.23Å
120M89.5Confident90.5Very high151 Ų15166.9 Ų66.974%0.74435%0.347SS*.Hα-helixtrans-61.7-44.7-175.6-71-59.4-66.700111.5G118 F124G118-M120 PolarHBondContact O-N 3.11Å; M120-F124 WeakPolarHBondContact O-CB 3.31Å; M120-F124 PolarHBondContact O-N 3.44Å
121V88.4Confident90.5Very high39 Ų3964.5 Ų64.524%0.23634%0.343CS..Hα-helixtrans-63.7-46.5178.9176.60000110.9V58 N65 M66 G118 V119 G125V58-V121 HydrophobicContact CG1-CG1 4.13Å; N65-V121 HydrophobicContact CB-CB 4.04Å; N65-V121 HydrophobicContact CB-CG1 3.91Å; M66-V121 HydrophobicContact CG-CG1 4.46Å; G118-V121 PolarHBondContact O-N 2.95Å; V119-V121 VanDerWaalsContact C-N 3.34Å; V119-V121 PolarHBondContact O-N 3.47Å; V121-G125 PolarHBondContact O-N 3.44Å
122F89.5Confident90.5Very high26 Ų2661.2 Ų61.211%0.11433%0.331CS..Hα-helixtrans-68.5-47.4-177.5-177.9-106.5000112.3M66 V73 I113 G118 V119 G125 I126M66-F122 HydrophobicContact SD-CD2 4.1Å; V73-F122 HydrophobicContact CG2-CE1 3.69Å; V73-F122 HydrophobicContact CG2-CZ 3.78Å; I113-F122 HydrophobicContact CD1-CD1 3.72Å; I113-F122 HydrophobicContact CD1-CE1 3.89Å; I113-F122 HydrophobicContact CD1-CG 4.43Å; G118-F122 WeakPolarHBondContact O-CB 3.48Å; G118-F122 PolarHBondContact O-N 2.93Å; V119-F122 PolarHBondContact O-N 2.95Å; F122-G125 PolarHBondContact O-N 2.98Å; F122-I126 HydrophobicContact CD1-CD1 4.3Å; F122-I126 HydrophobicContact CE1-CD1 3.74Å; F122-I126 HydrophobicContact CE2-CD1 3.96Å; F122-I126 HydrophobicContact CZ-CD1 3.56Å; F122-I126 PolarHBondContact O-N 2.83Å
123V90Very high90.5Very high62 Ų6259.6 Ų59.638%0.37632%0.322SS..Hα-helixtrans-61.6-50176.81730000109.6V119 G125 I126 T127V119-V123 HydrophobicContact CG1-CG2 3.98Å; V119-V123 VanDerWaalsContact O-CB 3.3Å; V119-V123 WeakPolarHBondContact O-CB 3.47Å; V119-V123 VanDerWaalsContact O-CG2 3.25Å; V119-V123 WeakPolarHBondContact O-CG2 3.34Å; V119-V123 PolarHBondContact O-N 3.23Å; V123-G125 VanDerWaalsContact C-N 3.33Å; V123-G125 PolarHBondContact O-N 3.32Å; V123-I126 PolarHBondContact O-N 3.19Å; V123-I126 VanDerWaalsContact O-N 3.11Å; V123-T127 HydrophobicContact CG1-CG2 3.85Å; V123-T127 WeakPolarHBondContact O-CG2 3.41Å; V123-T127 PolarHBondContact O-N 2.95Å; V123-T127 PolarHBondContact O-OG1 3.06Å
124F90.2Very high90.5Very high101 Ų10163.7 Ų63.744%0.44334%0.34SS..Hα-helixtrans-59.9-42.4178.6-175.8-95.8000112.1M120 I126 T127 F128M120-F124 WeakPolarHBondContact O-CB 3.31Å; M120-F124 PolarHBondContact O-N 3.44Å; F124-I126 PolarHBondContact O-N 3.44Å; F124-I126 VanDerWaalsContact O-N 3.12Å; F124-T127 PolarHBondContact O-N 2.84Å; F124-F128 HydrophobicContact CD1-CB 4.11Å; F124-F128 HydrophobicContact CD2-CB 3.95Å; F124-F128 HydrophobicContact CD2-CG 4.37Å; F124-F128 HydrophobicContact CE1-CB 3.89Å; F124-F128 AromaticContact CE1-CD1 3.79Å; F124-F128 HydrophobicContact CE1-CD1 3.79Å; F124-F128 HydrophobicContact CE1-CD2 4.45Å; F124-F128 HydrophobicContact CE1-CE1 4.42Å; F124-F128 AromaticContact CE1-CG 3.8Å; F124-F128 HydrophobicContact CE1-CG 3.8Å; F124-F128 HydrophobicContact CE2-CB 3.73Å; F124-F128 HydrophobicContact CE2-CD1 4.36Å; F124-F128 AromaticContact CE2-CD2 3.56Å; F124-F128 HydrophobicContact CE2-CD2 3.56Å; F124-F128 HydrophobicContact CE2-CE2 4.23Å; F124-F128 AromaticContact CE2-CG 3.64Å; F124-F128 HydrophobicContact CE2-CG 3.64Å; F124-F128 HydrophobicContact CG-CB 4.14Å; F124-F128 HydrophobicContact CZ-CB 3.7Å; F124-F128 AromaticContact CZ-CD1 3.58Å; F124-F128 HydrophobicContact CZ-CD1 3.58Å; F124-F128 AromaticContact CZ-CD2 3.53Å; F124-F128 HydrophobicContact CZ-CD2 3.53Å; F124-F128 HydrophobicContact CZ-CE1 4.01Å; F124-F128 AromaticContact CZ-CE2 3.97Å; F124-F128 HydrophobicContact CZ-CE2 3.97Å; F124-F128 AromaticContact CZ-CG 3.31Å; F124-F128 HydrophobicContact CZ-CG 3.31Å; F124-F128 HydrophobicContact CZ-CZ 4.19Å; F124-F128 WeakPolarHBondContact O-CB 3.49Å; F124-F128 PolarHBondContact O-N 2.79Å
125G90.1Very high90.5Very high0 Ų064.8 Ų64.80%034%0.342CS..Hα-helixtrans-57.2-26.5177.400000114V121 F122 V123 P129V121-G125 PolarHBondContact O-N 3.44Å; F122-G125 PolarHBondContact O-N 2.98Å; V123-G125 VanDerWaalsContact C-N 3.33Å; V123-G125 PolarHBondContact O-N 3.32Å; G125-P129 WeakPolarHBondContact O-CD 3.26Å; G125-P129 WeakPolarHBondContact O-CG 2.92Å
126I89.5Confident90.5Very high75 Ų7559.9 Ų59.939%0.38532%0.317SS..Hα-helixtrans-96.6-49.2177-61.2172000111.4F122 V123 F124 P129 L130F122-I126 HydrophobicContact CD1-CD1 4.3Å; F122-I126 HydrophobicContact CE1-CD1 3.74Å; F122-I126 HydrophobicContact CE2-CD1 3.96Å; F122-I126 HydrophobicContact CZ-CD1 3.56Å; F122-I126 PolarHBondContact O-N 2.83Å; V123-I126 PolarHBondContact O-N 3.19Å; V123-I126 VanDerWaalsContact O-N 3.11Å; F124-I126 PolarHBondContact O-N 3.44Å; F124-I126 VanDerWaalsContact O-N 3.12Å; I126-P129 WeakPolarHBondContact O-CD 3.28Å; I126-L130 HydrophobicContact CG2-CD1 4.48Å; I126-L130 WeakPolarHBondContact O-CG 3.28Å
127T91.6Very high90.7Very high68 Ų6854.4 Ų54.442%0.41729%0.293SS..Hα-helixtrans-74.9-32-171.6590000112.7V123 F124 L130 L131V123-T127 HydrophobicContact CG1-CG2 3.85Å; V123-T127 WeakPolarHBondContact O-CG2 3.41Å; V123-T127 PolarHBondContact O-N 2.95Å; V123-T127 PolarHBondContact O-OG1 3.06Å; F124-T127 PolarHBondContact O-N 2.84Å; T127-L130 PolarHBondContact O-N 3.01Å; T127-L131 WeakPolarHBondContact O-CB 3.42Å; T127-L131 PolarHBondContact O-N 3.42Å
128F92.1Very high90.8Very high58 Ų5851.8 Ų51.825%0.25426%0.264SS..Hα-helixtrans-66.2-46.1-177.6-174.8-115.3000112.8M54 F124 L130 L131 L132M54-F128 HydrophobicContact CE-CD1 3.62Å; M54-F128 HydrophobicContact CE-CE1 3.48Å; M54-F128 VanDerWaalsContact CE-CE1 3.48Å; F124-F128 HydrophobicContact CD1-CB 4.11Å; F124-F128 HydrophobicContact CD2-CB 3.95Å; F124-F128 HydrophobicContact CD2-CG 4.37Å; F124-F128 HydrophobicContact CE1-CB 3.89Å; F124-F128 AromaticContact CE1-CD1 3.79Å; F124-F128 HydrophobicContact CE1-CD1 3.79Å; F124-F128 HydrophobicContact CE1-CD2 4.45Å; F124-F128 HydrophobicContact CE1-CE1 4.42Å; F124-F128 AromaticContact CE1-CG 3.8Å; F124-F128 HydrophobicContact CE1-CG 3.8Å; F124-F128 HydrophobicContact CE2-CB 3.73Å; F124-F128 HydrophobicContact CE2-CD1 4.36Å; F124-F128 AromaticContact CE2-CD2 3.56Å; F124-F128 HydrophobicContact CE2-CD2 3.56Å; F124-F128 HydrophobicContact CE2-CE2 4.23Å; F124-F128 AromaticContact CE2-CG 3.64Å; F124-F128 HydrophobicContact CE2-CG 3.64Å; F124-F128 HydrophobicContact CG-CB 4.14Å; F124-F128 HydrophobicContact CZ-CB 3.7Å; F124-F128 AromaticContact CZ-CD1 3.58Å; F124-F128 HydrophobicContact CZ-CD1 3.58Å; F124-F128 AromaticContact CZ-CD2 3.53Å; F124-F128 HydrophobicContact CZ-CD2 3.53Å; F124-F128 HydrophobicContact CZ-CE1 4.01Å; F124-F128 AromaticContact CZ-CE2 3.97Å; F124-F128 HydrophobicContact CZ-CE2 3.97Å; F124-F128 AromaticContact CZ-CG 3.31Å; F124-F128 HydrophobicContact CZ-CG 3.31Å; F124-F128 HydrophobicContact CZ-CZ 4.19Å; F124-F128 WeakPolarHBondContact O-CB 3.49Å; F124-F128 PolarHBondContact O-N 2.79Å; F128-L130 VanDerWaalsContact C-N 3.34Å; F128-L130 PolarHBondContact O-N 3.25Å; F128-L131 PolarHBondContact O-N 3.28Å; F128-L132 HydrophobicContact CD1-CD1 4.1Å; F128-L132 HydrophobicContact CE1-CD1 3.63Å; F128-L132 HydrophobicContact CE1-CG 4.26Å; F128-L132 HydrophobicContact CE2-CD1 4.45Å; F128-L132 HydrophobicContact CE2-CD2 4.21Å; F128-L132 HydrophobicContact CE2-CG 4.23Å; F128-L132 HydrophobicContact CZ-CD1 3.83Å; F128-L132 HydrophobicContact CZ-CD2 4.09Å; F128-L132 HydrophobicContact CZ-CG 4.08Å; F128-L132 WeakPolarHBondContact O-CG 3.44Å; F128-L132 PolarHBondContact O-N 2.95Å
129P92.1Very high90.8Very high5 Ų554.5 Ų54.53%0.03228%0.278CS..Hα-helixtrans-53.1-47.7169.1-27.833.5000113.5A51 M54 I55 G125 I126 L131 L132 M133A51-P129 HydrophobicContact CB-CB 4Å; M54-P129 HydrophobicContact CB-CG 3.87Å; I55-P129 HydrophobicContact CG1-CG 4.23Å; G125-P129 WeakPolarHBondContact O-CD 3.26Å; G125-P129 WeakPolarHBondContact O-CG 2.92Å; I126-P129 WeakPolarHBondContact O-CD 3.28Å; P129-L131 VanDerWaalsContact C-N 3.32Å; P129-L131 PolarHBondContact O-N 3.21Å; P129-L132 PolarHBondContact O-N 2.82Å; P129-M133 VanDerWaalsContact O-CG 3.27Å; P129-M133 WeakPolarHBondContact O-CG 3.35Å; P129-M133 PolarHBondContact O-N 3.17Å
130L92.6Very high90.7Very high102 Ų10254 Ų5453%0.53427%0.274SS..Hα-helixtrans-59.2-43.7178.6-64.1177.5000111.7I126 T127 F128 M133 F134I126-L130 HydrophobicContact CG2-CD1 4.48Å; I126-L130 WeakPolarHBondContact O-CG 3.28Å; T127-L130 PolarHBondContact O-N 3.01Å; F128-L130 VanDerWaalsContact C-N 3.34Å; F128-L130 PolarHBondContact O-N 3.25Å; L130-M133 HydrophobicContact CB-CE 4.39Å; L130-M133 HydrophobicContact CD2-CE 3.4Å; L130-M133 HydrophobicContact CG-CE 4.28Å; L130-M133 PolarHBondContact O-N 2.92Å; L130-F134 PolarHBondContact O-N 3.01Å
131L93.5Very high90.3Very high90 Ų9050.1 Ų50.147%0.47126%0.256SS..Hα-helixtrans-63.3-45.1178.2-179.263.6000111.7T127 F128 P129 M133 F134 I135T127-L131 WeakPolarHBondContact O-CB 3.42Å; T127-L131 PolarHBondContact O-N 3.42Å; F128-L131 PolarHBondContact O-N 3.28Å; P129-L131 VanDerWaalsContact C-N 3.32Å; P129-L131 PolarHBondContact O-N 3.21Å; L131-M133 VanDerWaalsContact C-N 3.34Å; L131-M133 PolarHBondContact O-N 2.86Å; L131-F134 PolarHBondContact O-N 3.06Å; L131-I135 HydrophobicContact CD1-CD1 4.08Å; L131-I135 HydrophobicContact CD1-CG1 4.28Å; L131-I135 HydrophobicContact CD2-CD1 4.45Å; L131-I135 HydrophobicContact CG-CD1 3.82Å; L131-I135 HydrophobicContact CG-CG1 4.42Å; L131-I135 WeakPolarHBondContact O-CB 3.31Å; L131-I135 VanDerWaalsContact O-CG1 3.27Å; L131-I135 WeakPolarHBondContact O-CG1 3.4Å; L131-I135 PolarHBondContact O-N 3.15Å
132L92.4Very high89.5Confident60 Ų6053.9 Ų53.931%0.31427%0.266SS..Hα-helixtrans-62.8-41.3177.5-69.7179.8000111.9F128 P129 F134 I135 H136F128-L132 HydrophobicContact CD1-CD1 4.1Å; F128-L132 HydrophobicContact CE1-CD1 3.63Å; F128-L132 HydrophobicContact CE1-CG 4.26Å; F128-L132 HydrophobicContact CE2-CD1 4.45Å; F128-L132 HydrophobicContact CE2-CD2 4.21Å; F128-L132 HydrophobicContact CE2-CG 4.23Å; F128-L132 HydrophobicContact CZ-CD1 3.83Å; F128-L132 HydrophobicContact CZ-CD2 4.09Å; F128-L132 HydrophobicContact CZ-CG 4.08Å; F128-L132 WeakPolarHBondContact O-CG 3.44Å; F128-L132 PolarHBondContact O-N 2.95Å; P129-L132 PolarHBondContact O-N 2.82Å; L132-F134 VanDerWaalsContact C-N 3.34Å; L132-F134 PolarHBondContact O-N 3Å; L132-I135 PolarHBondContact O-N 2.89Å; L132-H136 VanDerWaalsContact O-CB 3.26Å; L132-H136 WeakPolarHBondContact O-CB 3.28Å; L132-H136 PolarHBondContact O-N 3.13Å
133M93.3Very high88.5Confident30 Ų3055.3 Ų55.315%0.14828%0.275CS..Hα-helixtrans-60.3-45.4174.5-67.1-174.1-65.600111.1Y47 A51 P129 L130 L131 H136 A137Y47-M133 VanDerWaalsContact CB-SD 3.52Å; Y47-M133 HydrophobicContact CD1-CB 3.9Å; Y47-M133 HydrophobicContact CD1-CG 3.61Å; Y47-M133 HydrophobicContact CD1-SD 4.31Å; Y47-M133 HydrophobicContact CE1-CB 4.25Å; Y47-M133 HydrophobicContact CE1-CG 4.4Å; Y47-M133 HydrophobicContact CG-CB 4.33Å; Y47-M133 HydrophobicContact CG-CG 3.99Å; Y47-M133 HydrophobicContact CG-SD 4.1Å; A51-M133 HydrophobicContact CB-CE 4.41Å; A51-M133 HydrophobicContact CB-SD 4.26Å; P129-M133 VanDerWaalsContact O-CG 3.27Å; P129-M133 WeakPolarHBondContact O-CG 3.35Å; P129-M133 PolarHBondContact O-N 3.17Å; L130-M133 HydrophobicContact CB-CE 4.39Å; L130-M133 HydrophobicContact CD2-CE 3.4Å; L130-M133 HydrophobicContact CG-CE 4.28Å; L130-M133 PolarHBondContact O-N 2.92Å; L131-M133 VanDerWaalsContact C-N 3.34Å; L131-M133 PolarHBondContact O-N 2.86Å; M133-H136 PolarHBondContact O-N 2.87Å; M133-A137 VanDerWaalsContact O-CB 3.28Å; M133-A137 WeakPolarHBondContact O-CB 3.36Å; M133-A137 PolarHBondContact O-N 3.17Å
134F92Very high87.4Confident95 Ų9558.2 Ų58.242%0.41729%0.288SS..Hα-helixtrans-64.9-43.2178.1-179.1-103.2000112.8W32 V36 L130 L131 L132 A137 S138W32-F134 HydrophobicContact CH2-CZ 4.07Å; W32-F134 HydrophobicContact CZ2-CE1 4.1Å; W32-F134 AromaticContact CZ2-CZ 3.66Å; W32-F134 HydrophobicContact CZ2-CZ 3.66Å; V36-F134 HydrophobicContact CG1-CD2 4.22Å; V36-F134 HydrophobicContact CG1-CE2 4.11Å; V36-F134 HydrophobicContact CG2-CE2 4.45Å; L130-F134 PolarHBondContact O-N 3.01Å; L131-F134 PolarHBondContact O-N 3.06Å; L132-F134 VanDerWaalsContact C-N 3.34Å; L132-F134 PolarHBondContact O-N 3Å; F134-A137 PolarHBondContact O-N 3.37Å; F134-S138 WeakPolarHBondContact O-CB 3.33Å; F134-S138 PolarHBondContact O-N 3.2Å; F134-S138 PolarHBondContact O-OG 3.12Å
135I91.8Very high86.3Confident72 Ų7259.9 Ų59.937%0.36930%0.295SS..Hα-helixtrans-60.6-48.3175.8-71.6169.2000109.7L131 L132 S138 L139L131-I135 HydrophobicContact CD1-CD1 4.08Å; L131-I135 HydrophobicContact CD1-CG1 4.28Å; L131-I135 HydrophobicContact CD2-CD1 4.45Å; L131-I135 HydrophobicContact CG-CD1 3.82Å; L131-I135 HydrophobicContact CG-CG1 4.42Å; L131-I135 WeakPolarHBondContact O-CB 3.31Å; L131-I135 VanDerWaalsContact O-CG1 3.27Å; L131-I135 WeakPolarHBondContact O-CG1 3.4Å; L131-I135 PolarHBondContact O-N 3.15Å; L132-I135 PolarHBondContact O-N 2.89Å; I135-S138 PolarHBondContact O-N 3.33Å; I135-L139 HydrophobicContact CG2-CD1 3.61Å; I135-L139 HydrophobicContact CG2-CG 4.34Å; I135-L139 WeakPolarHBondContact O-CB 3.46Å; I135-L139 VanDerWaalsContact O-CG 3.31Å; I135-L139 WeakPolarHBondContact O-CG 3.32Å; I135-L139 PolarHBondContact O-N 3.49Å
136H91.9Very high85.2Confident27 Ų2759.9 Ų59.913%0.12530%0.295CS..Hα-helixtrans-61-49.5178.7-178.4-86.3000111.8F14 F21 Y47 L132 M133 S138 L139 R140F14-H136 AromaticContact CD2-CE1 3.64Å; F14-H136 AromaticContact CE2-CE1 3.47Å; F14-H136 VanDerWaalsContact CE2-CE1 3.47Å; F14-H136 WeakPolarHBondContact CE2-CE1 3.46Å; F14-H136 AromaticContact CE2-ND1 3.85Å; F14-H136 AromaticContact CE2-NE2 3.96Å; F14-H136 PolarHBondContact O-NE2 3.4Å; F21-H136 AromaticContact CE1-CD2 3.82Å; F21-H136 AromaticContact CE1-NE2 3.95Å; F21-H136 AromaticContact CZ-CD2 3.84Å; F21-H136 AromaticContact CZ-NE2 3.54Å; Y47-H136 HydrophobicContact CE1-CB 3.98Å; Y47-H136 AromaticContact CE1-CG 3.85Å; Y47-H136 AromaticContact CE1-ND1 3.31Å; Y47-H136 VanDerWaalsContact CE1-ND1 3.31Å; Y47-H136 WeakPolarHBondContact CE1-ND1 3.42Å; Y47-H136 AromaticContact CZ-ND1 3.43Å; Y47-H136 PolarHBondContact OH-ND1 3.33Å; L132-H136 VanDerWaalsContact O-CB 3.26Å; L132-H136 WeakPolarHBondContact O-CB 3.28Å; L132-H136 PolarHBondContact O-N 3.13Å; M133-H136 PolarHBondContact O-N 2.87Å; H136-S138 PolarHBondContact O-N 3.25Å; H136-L139 PolarHBondContact O-N 3.38Å; H136-R140 VanDerWaalsContact O-CB 3.28Å; H136-R140 WeakPolarHBondContact O-CB 3.36Å; H136-R140 PolarHBondContact O-N 2.86Å
137A91Very high84.3Confident0 Ų060.8 Ų60.80%030%0.296CS..Hα-helixtrans-60.9-32.4176.700000112.5V36 N39 L40 Y47 M133 F134V36-A137 HydrophobicContact CG1-CB 4.09Å; N39-A137 HydrophobicContact CB-CB 4.02Å; N39-A137 PolarHBondContact ND2-O 3.05Å; L40-A137 HydrophobicContact CD2-CB 4.07Å; L40-A137 HydrophobicContact CG-CB 4.1Å; Y47-A137 WeakPolarHBondContact OH-CA 3.28Å; Y47-A137 WeakPolarHBondContact OH-CB 3.48Å; Y47-A137 PolarHBondContact OH-N 2.89Å; M133-A137 VanDerWaalsContact O-CB 3.28Å; M133-A137 WeakPolarHBondContact O-CB 3.36Å; M133-A137 PolarHBondContact O-N 3.17Å; F134-A137 PolarHBondContact O-N 3.37Å
138S89.8Confident83.4Confident7 Ų763.1 Ų63.15%0.04931%0.305CS..Hα-helixtrans-75-37.2177.5-73.10000113.4W32 R35 V36 F134 I135 H136W32-S138 PolarHBondContact NE1-OG 2.83Å; W32-S138 VanDerWaalsContact NE1-OG 3.08Å; R35-S138 PolarHBondContact NE-O 3.43Å; R35-S138 PolarHBondContact NH2-O 3.4Å; V36-S138 WeakPolarHBondContact CG2-OG 3.37Å; F134-S138 WeakPolarHBondContact O-CB 3.33Å; F134-S138 PolarHBondContact O-N 3.2Å; F134-S138 PolarHBondContact O-OG 3.12Å; I135-S138 PolarHBondContact O-N 3.33Å; H136-S138 PolarHBondContact O-N 3.25Å
139L87.9Confident82.4Confident59 Ų5962.7 Ų62.731%0.30930%0.304SS..Hα-helixtrans-88.7-29.3-175.5-64.4171.8000112.9F21 A22 I135 H136 L141F21-L139 CarbonylContact C-O 3.59Å; F21-L139 WeakPolarHBondContact CA-O 3.36Å; F21-L139 HydrophobicContact CD1-CB 3.66Å; F21-L139 HydrophobicContact CE1-CB 4.34Å; A22-L139 PolarHBondContact N-O 3.32Å; A22-L139 VanDerWaalsContact O-O 3.12Å; I135-L139 HydrophobicContact CG2-CD1 3.61Å; I135-L139 HydrophobicContact CG2-CG 4.34Å; I135-L139 WeakPolarHBondContact O-CB 3.46Å; I135-L139 VanDerWaalsContact O-CG 3.31Å; I135-L139 WeakPolarHBondContact O-CG 3.32Å; I135-L139 PolarHBondContact O-N 3.49Å; H136-L139 PolarHBondContact O-N 3.38Å; L139-L141 PolarHBondContact O-N 3.47Å
140R85.5Confident81.4Confident7 Ų763.6 Ų63.63%0.02631%0.309CS..BIsolated β-bridgetrans-67.9125.5-176.1-174.474176.790.4-1.6111.5D13 R20 F21 R35 N39 Y43 H136D13-R140 PolarHBondContact O-NE 3.49Å; D13-R140 PolarHBondContact O-NH2 3.38Å; D13-R140 IonicContact OD1-NH2 3.59Å; D13-R140 PolarHBondContact OD1-NH2 2.87Å; D13-R140 VanDerWaalsContact OD1-NH2 3.11Å; R20-R140 PolarHBondContact O-NH1 2.93Å; F21-R140 HydrophobicContact CE1-CB 4.11Å; F21-R140 VanDerWaalsContact CE2-CD 3.42Å; F21-R140 HydrophobicContact CZ-CB 4.29Å; F21-R140 VanDerWaalsContact CZ-CD 3.43Å; F21-R140 HydrophobicContact CZ-CG 4.46Å; R35-R140 VanDerWaalsContact CD-O 3.26Å; R35-R140 WeakPolarHBondContact CD-O 3.48Å; R35-R140 WeakPolarHBondContact CG-O 3.44Å; N39-R140 PolarHBondContact ND2-O 3.04Å; Y43-R140 HydrophobicContact CE2-CG 4.05Å; Y43-R140 PolarHBondContact OH-NH2 3.33Å; H136-R140 VanDerWaalsContact O-CB 3.28Å; H136-R140 WeakPolarHBondContact O-CB 3.36Å; H136-R140 PolarHBondContact O-N 2.86Å
141L81.6Confident80.7Confident69 Ų6965.9 Ų65.936%0.36132%0.315SS..  trans-69144.6173.1-72174.2000111.5R20 A22 L139 N143R20-L141 WeakPolarHBondContact O-CB 3.35Å; R20-L141 PolarHBondContact O-N 2.94Å; A22-L141 HydrophobicContact CB-CD1 4.08Å; A22-L141 HydrophobicContact CB-CD2 3.6Å; A22-L141 HydrophobicContact CB-CG 3.86Å; L139-L141 PolarHBondContact O-N 3.47Å; L141-N143 PolarHBondContact O-N 3.37Å
142R70.9Confident79.7Confident119 Ų11964.9 Ų64.945%0.44931%0.308SS..  trans-73.9111.4-177.8-170.5169.566.51603.2111.2S38 N146 K147S38-R142 WeakPolarHBondContact OG-CD 3.32Å; R142-N146 HydrophobicContact CG-CB 4.31Å; R142-K147 HydrophobicContact CG-CG 3.86Å
143N69.5Low78.6Confident56 Ų5663.7 Ų63.730%0.29930%0.301SS..  trans-71.2156.5173-163-10.1000111.5L141 K145 N146 K147L141-N143 PolarHBondContact O-N 3.37Å; N143-K145 VanDerWaalsContact C-N 3.31Å; N143-K145 PolarHBondContact O-N 3.26Å; N143-N146 HydrophobicContact CB-CB 4.17Å; N143-N146 WeakPolarHBondContact O-CA 3.45Å; N143-N146 VanDerWaalsContact O-CB 3.29Å; N143-N146 WeakPolarHBondContact O-CB 3.17Å; N143-N146 PolarHBondContact O-N 2.91Å; N143-N146 VanDerWaalsContact O-N 3.15Å; N143-K147 PolarHBondContact O-N 3.41Å
144L65.7Low77.3Confident123 Ų12365.6 Ų65.664%0.64433%0.329SS*.Hα-helixtrans-63.2-36.5175.9-70173.3000112.2N146 K147 L148L144-N146 VanDerWaalsContact C-N 3.29Å; L144-N146 PolarHBondContact O-N 3.23Å; L144-K147 HydrophobicContact CD2-CD 4.29Å; L144-K147 WeakPolarHBondContact O-CB 3.3Å; L144-K147 PolarHBondContact O-N 2.93Å; L144-K147 VanDerWaalsContact O-N 3.16Å; L144-L148 PolarHBondContact O-N 3.33Å
145K67.5Low76.4Confident136 Ų13666.1 Ų66.159%0.59133%0.334SS*.Hα-helixtrans-60-41.5172-66.1-177.2179.6179.90111.5Y42 N143 L148 E149Y42-K145 HydrophobicContact CE2-CB 4.26Å; N143-K145 VanDerWaalsContact C-N 3.31Å; N143-K145 PolarHBondContact O-N 3.26Å; K145-L148 PolarHBondContact O-N 2.9Å; K145-E149 PolarHBondContact O-N 3.47Å; K145-E149 VanDerWaalsContact O-N 3.08Å
146N67.7Low75.3Confident0 Ų064 Ų640%033%0.33CS..Hα-helixtrans-62.9-40.8175-174.27000111S38 N39 Y42 R142 N143 L144 L148 N150S38-N146 PolarHBondContact O-OD1 2.9Å; S38-N146 PolarHBondContact OG-ND2 2.84Å; S38-N146 VanDerWaalsContact OG-ND2 3.08Å; S38-N146 PolarHBondContact OG-OD1 3.01Å; N39-N146 PolarHBondContact OD1-ND2 3.15Å; Y42-N146 VanDerWaalsContact CB-OD1 3.24Å; Y42-N146 WeakPolarHBondContact CB-OD1 3.3Å; Y42-N146 HydrophobicContact CD1-CB 4.28Å; Y42-N146 HydrophobicContact CD2-CB 4.03Å; Y42-N146 HydrophobicContact CE2-CB 4.46Å; Y42-N146 HydrophobicContact CG-CB 3.94Å; R142-N146 HydrophobicContact CG-CB 4.31Å; N143-N146 HydrophobicContact CB-CB 4.17Å; N143-N146 WeakPolarHBondContact O-CA 3.45Å; N143-N146 VanDerWaalsContact O-CB 3.29Å; N143-N146 WeakPolarHBondContact O-CB 3.17Å; N143-N146 PolarHBondContact O-N 2.91Å; N143-N146 VanDerWaalsContact O-N 3.15Å; L144-N146 VanDerWaalsContact C-N 3.29Å; L144-N146 PolarHBondContact O-N 3.23Å; N146-L148 PolarHBondContact O-N 2.72Å; N146-N150 PolarHBondContact O-N 3.38Å; N146-N150 VanDerWaalsContact O-N 3.13Å; N146-N150 PolarHBondContact O-ND2 2.86Å; N146-N150 PolarHBondContact OD1-ND2 3.08Å
147K70.6Confident73.8Confident93 Ų9368.3 Ų68.340%0.40435%0.354SS..Hα-helixtrans-61.8-42.2173.9-66.7-173.3-170.9177.10113.4R142 N143 L144 K151R142-K147 HydrophobicContact CG-CG 3.86Å; N143-K147 PolarHBondContact O-N 3.41Å; L144-K147 HydrophobicContact CD2-CD 4.29Å; L144-K147 WeakPolarHBondContact O-CB 3.3Å; L144-K147 PolarHBondContact O-N 2.93Å; L144-K147 VanDerWaalsContact O-N 3.16Å; K147-K151 WeakPolarHBondContact O-CB 3.24Å; K147-K151 PolarHBondContact O-N 3.33Å
148L72.8Confident72.7Confident117 Ų11773.3 Ų73.361%0.61338%0.375SS*.Hα-helixtrans-67.6-45.8-177.7-72.6173.9000111.7L144 K145 N146 K151 M152L144-L148 PolarHBondContact O-N 3.33Å; K145-L148 PolarHBondContact O-N 2.9Å; N146-L148 PolarHBondContact O-N 2.72Å; L148-K151 PolarHBondContact O-N 3.19Å; L148-M152 WeakPolarHBondContact O-CG 3.4Å; L148-M152 PolarHBondContact O-N 2.79Å
149E69.9Low72.2Confident49 Ų4978.7 Ų78.723%0.22940%0.395CS..Hα-helixtrans-66.1-41.5179.2-72.3-168.3177.300112.5R9 Y42 K145 K151 M152 E153R9-E149 IonicContact CZ-OE1 3.11Å; R9-E149 VanDerWaalsContact CZ-OE1 3.29Å; R9-E149 IonicContact CZ-OE2 3.29Å; R9-E149 IonicContact NH1-OE1 2.77Å; R9-E149 PolarHBondContact NH1-OE1 2.64Å; R9-E149 IonicContact NH1-OE2 3.69Å; R9-E149 IonicContact NH2-OE1 3.34Å; R9-E149 PolarHBondContact NH2-OE1 3.43Å; R9-E149 IonicContact NH2-OE2 3.05Å; R9-E149 PolarHBondContact NH2-OE2 2.66Å; Y42-E149 HydrophobicContact CD2-CB 4.26Å; Y42-E149 HydrophobicContact CD2-CG 4.41Å; Y42-E149 WeakPolarHBondContact CD2-OE2 3.28Å; Y42-E149 HydrophobicContact CE2-CG 4.3Å; Y42-E149 VanDerWaalsContact CE2-OE2 3.25Å; Y42-E149 WeakPolarHBondContact CE2-OE2 3.47Å; K145-E149 PolarHBondContact O-N 3.47Å; K145-E149 VanDerWaalsContact O-N 3.08Å; E149-K151 VanDerWaalsContact C-N 3.26Å; E149-K151 PolarHBondContact O-N 2.83Å; E149-M152 WeakPolarHBondContact O-CB 3.13Å; E149-M152 PolarHBondContact O-N 3.38Å; E149-M152 VanDerWaalsContact O-N 3.09Å; E149-E153 PolarHBondContact O-N 2.88Å
150N71.9Confident72Confident25 Ų2576.3 Ų76.313%0.13438%0.382CS..Hα-helixtrans-64.2-33.4174.3-70.2-50.8000112.4S38 L41 N146 M152 E153 G154S38-N150 VanDerWaalsContact CA-ND2 3.3Å; S38-N150 WeakPolarHBondContact CA-ND2 3.37Å; S38-N150 VanDerWaalsContact CB-ND2 3.3Å; S38-N150 WeakPolarHBondContact CB-ND2 3.37Å; S38-N150 PolarHBondContact O-ND2 2.73Å; S38-N150 PolarHBondContact OG-ND2 2.91Å; L41-N150 VanDerWaalsContact CB-OD1 3.28Å; L41-N150 WeakPolarHBondContact CB-OD1 3.4Å; L41-N150 WeakPolarHBondContact CD1-OD1 3.42Å; N146-N150 PolarHBondContact O-N 3.38Å; N146-N150 VanDerWaalsContact O-N 3.13Å; N146-N150 PolarHBondContact O-ND2 2.86Å; N146-N150 PolarHBondContact OD1-ND2 3.08Å; N150-M152 VanDerWaalsContact C-N 3.31Å; N150-E153 PolarHBondContact O-N 3.34Å; N150-G154 PolarHBondContact O-N 2.87Å
151K76.9Confident72Confident150 Ų15078.3 Ų78.365%0.65240%0.397SS*.Hα-helixtrans-67.2-36.4174.8-165.8174.6-176.6-175.10111K147 L148 E149 I155K147-K151 WeakPolarHBondContact O-CB 3.24Å; K147-K151 PolarHBondContact O-N 3.33Å; L148-K151 PolarHBondContact O-N 3.19Å; E149-K151 VanDerWaalsContact C-N 3.26Å; E149-K151 PolarHBondContact O-N 2.83Å; K151-I155 WeakPolarHBondContact O-CD1 3.42Å; K151-I155 WeakPolarHBondContact O-CG1 2.89Å; K151-I155 WeakPolarHBondContact O-CG2 3.29Å; K151-I155 PolarHBondContact O-N 2.82Å; K151-I155 VanDerWaalsContact O-N 3.15Å
152M73.2Confident72.3Confident68 Ų6877.2 Ų77.234%0.33539%0.39SS..Hα-helixtrans-67.4-37.5173.7-68.5-179.871.100112.5L148 E149 N150 I155 G156 L157 K158L148-M152 WeakPolarHBondContact O-CG 3.4Å; L148-M152 PolarHBondContact O-N 2.79Å; E149-M152 WeakPolarHBondContact O-CB 3.13Å; E149-M152 PolarHBondContact O-N 3.38Å; E149-M152 VanDerWaalsContact O-N 3.09Å; N150-M152 VanDerWaalsContact C-N 3.31Å; M152-I155 WeakPolarHBondContact O-CG1 3.42Å; M152-G156 PolarHBondContact O-N 3.47Å; M152-L157 HydrophobicContact CB-CB 4.36Å; M152-L157 WeakPolarHBondContact O-CA 3.42Å; M152-L157 VanDerWaalsContact O-CB 3.32Å; M152-L157 WeakPolarHBondContact O-CB 3.26Å; M152-L157 PolarHBondContact O-N 3.38Å; M152-K158 HydrophobicContact CE-CD 4.27Å; M152-K158 HydrophobicContact CE-CG 4.47Å; M152-K158 PolarHBondContact O-N 3.17Å
153E68.8Low72.9Confident35 Ų3572 Ų7216%0.16437%0.373CS..Hα-helixtrans-70.9-43.9174.3-70-170.7143.900112.2L41 E149 N150 I155 G156 K158 T160L41-E153 WeakPolarHBondContact CB-OE2 3.37Å; L41-E153 WeakPolarHBondContact CD1-OE2 3.3Å; L41-E153 WeakPolarHBondContact CD2-OE2 3.45Å; E149-E153 PolarHBondContact O-N 2.88Å; N150-E153 PolarHBondContact O-N 3.34Å; E153-I155 VanDerWaalsContact C-N 3.26Å; E153-I155 PolarHBondContact O-N 3.04Å; E153-G156 WeakPolarHBondContact O-CA 3.46Å; E153-G156 PolarHBondContact O-N 3.15Å; E153-K158 WeakPolarHBondContact CA-O 3.32Å; E153-K158 HydrophobicContact CG-CB 4.08Å; E153-T160 VanDerWaalsContact OE1-CB 3.29Å; E153-T160 WeakPolarHBondContact OE1-CB 3.31Å; E153-T160 WeakPolarHBondContact OE1-CG2 3.46Å; E153-T160 PolarHBondContact OE1-OG1 3.27Å
154G65.8Low73.7Confident71 Ų7172.5 Ų72.573%0.73238%0.375SS*.Hα-helixtrans-65.4-24.9179.700000114.5N150 G156N150-G154 PolarHBondContact O-N 2.87Å; G154-G156 VanDerWaalsContact C-N 3.32Å
155I74.6Confident74.6Confident105 Ų10570 Ų7054%0.53837%0.365SS..THydrogen-bonded Turntrans-90.75.6171.267.6-165.6000112.9K151 M152 E153 L157K151-I155 WeakPolarHBondContact O-CD1 3.42Å; K151-I155 WeakPolarHBondContact O-CG1 2.89Å; K151-I155 WeakPolarHBondContact O-CG2 3.29Å; K151-I155 PolarHBondContact O-N 2.82Å; K151-I155 VanDerWaalsContact O-N 3.15Å; M152-I155 WeakPolarHBondContact O-CG1 3.42Å; E153-I155 VanDerWaalsContact C-N 3.26Å; E153-I155 PolarHBondContact O-N 3.04Å; I155-L157 VanDerWaalsContact C-N 3.3Å; I155-L157 HydrophobicContact CD1-CB 4.46Å; I155-L157 HydrophobicContact CD1-CD1 3.36Å; I155-L157 HydrophobicContact CD1-CG 4.41Å; I155-L157 HydrophobicContact CG1-CB 4.04Å; I155-L157 HydrophobicContact CG1-CD1 3.69Å; I155-L157 HydrophobicContact CG1-CG 4.26Å; I155-L157 PolarHBondContact O-N 3.45Å
156G66.9Low75.6Confident27 Ų2764.7 Ų64.728%0.27834%0.343SS..THydrogen-bonded Turntrans75.98.7177.600000115.1M1 M152 E153 G154 K158M1-G156 WeakPolarHBondContact CE-O 3.37Å; M152-G156 PolarHBondContact O-N 3.47Å; E153-G156 WeakPolarHBondContact O-CA 3.46Å; E153-G156 PolarHBondContact O-N 3.15Å; G154-G156 VanDerWaalsContact C-N 3.32Å; G156-K158 PolarHBondContact O-N 2.65Å
157L61.3Low76.4Confident119 Ų11967.9 Ų67.962%0.62336%0.36SS*.SBendtrans-70.3-20.6179.2-101150.7000112.8M152 I155M152-L157 HydrophobicContact CB-CB 4.36Å; M152-L157 WeakPolarHBondContact O-CA 3.42Å; M152-L157 VanDerWaalsContact O-CB 3.32Å; M152-L157 WeakPolarHBondContact O-CB 3.26Å; M152-L157 PolarHBondContact O-N 3.38Å; I155-L157 VanDerWaalsContact C-N 3.3Å; I155-L157 HydrophobicContact CD1-CB 4.46Å; I155-L157 HydrophobicContact CD1-CD1 3.36Å; I155-L157 HydrophobicContact CD1-CG 4.41Å; I155-L157 HydrophobicContact CG1-CB 4.04Å; I155-L157 HydrophobicContact CG1-CD1 3.69Å; I155-L157 HydrophobicContact CG1-CG 4.26Å; I155-L157 PolarHBondContact O-N 3.45Å
158K68.8Low77.1Confident104 Ų10465.9 Ų65.945%0.45236%0.361SS..  trans-141.3143.2171.7-71.5-175.2176.6-179.40109.5M152 E153 G156M152-K158 HydrophobicContact CE-CD 4.27Å; M152-K158 HydrophobicContact CE-CG 4.47Å; M152-K158 PolarHBondContact O-N 3.17Å; E153-K158 WeakPolarHBondContact CA-O 3.32Å; E153-K158 HydrophobicContact CG-CB 4.08Å; G156-K158 PolarHBondContact O-N 2.65Å
159R77.9Confident77.7Confident121 Ų12164.7 Ų64.746%0.45736%0.355SS..BIsolated β-bridgetrans-127.1116.5174.8-162.4166-165.1167.84.9109.6V3 N4 I164 D167V3-R159 WeakPolarHBondContact CA-O 3.46Å; N4-R159 PolarHBondContact N-O 2.88Å; R159-I164 HydrophobicContact CG-CD1 4.27Å; R159-I164 HydrophobicContact CG-CG1 3.93Å; R159-D167 IonicContact NH2-OD2 3.64Å
160T84.2Confident78.5Confident8 Ų867.9 Ų67.95%0.04937%0.369CS..  trans-104.9157.8176.854.90000111.2N4 A6 E153 M162 G163 I164N4-T160 WeakPolarHBondContact O-CA 3.29Å; N4-T160 VanDerWaalsContact O-CG2 3.31Å; N4-T160 WeakPolarHBondContact O-CG2 3.5Å; A6-T160 HydrophobicContact CB-CG2 4.2Å; E153-T160 VanDerWaalsContact OE1-CB 3.29Å; E153-T160 WeakPolarHBondContact OE1-CB 3.31Å; E153-T160 WeakPolarHBondContact OE1-CG2 3.46Å; E153-T160 PolarHBondContact OE1-OG1 3.27Å; T160-M162 VanDerWaalsContact C-N 3.29Å; T160-M162 PolarHBondContact O-N 3.42Å; T160-G163 PolarHBondContact O-N 3Å; T160-G163 VanDerWaalsContact O-N 3.12Å; T160-G163 PolarHBondContact OG1-N 3.01Å; T160-I164 PolarHBondContact O-N 2.92Å
161P85.8Confident79.1Confident50 Ų5073.5 Ų73.533%0.32540%0.395SS..Hα-helixtrans-54.5-41.7173.1-27.334.3000113.7V3 G163 I164 V165V3-P161 HydrophobicContact CG1-CG 3.89Å; P161-G163 VanDerWaalsContact C-N 3.34Å; P161-I164 PolarHBondContact O-N 3.49Å; P161-V165 WeakPolarHBondContact O-CG2 3.38Å; P161-V165 PolarHBondContact O-N 2.92Å; P161-V165 VanDerWaalsContact O-N 3.11Å
162M86.6Confident79.4Confident46 Ų4672.2 Ų72.223%0.22739%0.391CS..Hα-helixtrans-66.3-37.6176.6-172.287.4-82.600111.3L40 L41 Q44 T160 I164 V165 L166L40-M162 HydrophobicContact CB-CG 4.14Å; L40-M162 HydrophobicContact CB-SD 4.14Å; L41-M162 HydrophobicContact CD2-CB 4.12Å; L41-M162 HydrophobicContact CD2-CG 4.09Å; Q44-M162 HydrophobicContact CB-CB 4.27Å; Q44-M162 HydrophobicContact CG-CB 3.8Å; T160-M162 VanDerWaalsContact C-N 3.29Å; T160-M162 PolarHBondContact O-N 3.42Å; M162-I164 PolarHBondContact O-N 2.93Å; M162-V165 HydrophobicContact CE-CB 3.79Å; M162-V165 HydrophobicContact CE-CG1 3.72Å; M162-V165 HydrophobicContact CE-CG2 4.43Å; M162-V165 PolarHBondContact O-N 3.36Å; M162-L166 HydrophobicContact CE-CG 4.4Å; M162-L166 HydrophobicContact CG-CD1 3.74Å; M162-L166 HydrophobicContact CG-CG 4.3Å; M162-L166 WeakPolarHBondContact O-CB 3.43Å; M162-L166 VanDerWaalsContact O-CG 3.28Å; M162-L166 WeakPolarHBondContact O-CG 3.41Å; M162-L166 PolarHBondContact O-N 3.27Å
163G83.5Confident80Confident9 Ų973.8 Ų73.89%0.09340%0.398CS..Hα-helixtrans-56.6-47.8171.700000112.6L41 T160 P161 V165 L166 D167L41-G163 VanDerWaalsContact CD2-CA 3.48Å; L41-G163 VanDerWaalsContact CD2-N 3.32Å; T160-G163 PolarHBondContact O-N 3Å; T160-G163 VanDerWaalsContact O-N 3.12Å; T160-G163 PolarHBondContact OG1-N 3.01Å; P161-G163 VanDerWaalsContact C-N 3.34Å; G163-V165 VanDerWaalsContact C-N 3.29Å; G163-V165 PolarHBondContact O-N 3.08Å; G163-L166 PolarHBondContact O-N 2.96Å; G163-D167 WeakPolarHBondContact O-CB 3.36Å; G163-D167 PolarHBondContact O-N 3.02Å
164I86.3Confident80.8Confident67 Ų6776.4 Ų76.434%0.34441%0.41SS..Hα-helixtrans-59.7-41.4177.1-63.4165.4000111.6V3 R159 T160 P161 M162 A168V3-I164 HydrophobicContact CG1-CD1 4.24Å; V3-I164 HydrophobicContact CG2-CD1 3.86Å; R159-I164 HydrophobicContact CG-CD1 4.27Å; R159-I164 HydrophobicContact CG-CG1 3.93Å; T160-I164 PolarHBondContact O-N 2.92Å; P161-I164 PolarHBondContact O-N 3.49Å; M162-I164 PolarHBondContact O-N 2.93Å; I164-A168 WeakPolarHBondContact O-CB 3.41Å; I164-A168 PolarHBondContact O-N 2.9Å; I164-A168 VanDerWaalsContact O-N 3.1Å
165V86.5Confident81.6Confident70 Ų7074.9 Ų74.942%0.42439%0.394SS..Hα-helixtrans-65.6-44.7178.2171.70000110.9P161 M162 G163 A168 L169P161-V165 WeakPolarHBondContact O-CG2 3.38Å; P161-V165 PolarHBondContact O-N 2.92Å; P161-V165 VanDerWaalsContact O-N 3.11Å; M162-V165 HydrophobicContact CE-CB 3.79Å; M162-V165 HydrophobicContact CE-CG1 3.72Å; M162-V165 HydrophobicContact CE-CG2 4.43Å; M162-V165 PolarHBondContact O-N 3.36Å; G163-V165 VanDerWaalsContact C-N 3.29Å; G163-V165 PolarHBondContact O-N 3.08Å; V165-A168 PolarHBondContact O-N 3.38Å; V165-L169 HydrophobicContact CG1-CD1 4.16Å; V165-L169 WeakPolarHBondContact O-CG 3.14Å; V165-L169 PolarHBondContact O-N 3Å
166L86.8Confident82.1Confident24 Ų2474 Ų7413%0.12639%0.389CS..Hα-helixtrans-68.4-40.5-179.1-67.8166.6000111.6V37 L40 L41 M162 G163 A168 L169 E170V37-L166 HydrophobicContact CG1-CD1 4.1Å; L40-L166 HydrophobicContact CB-CD1 4.21Å; L40-L166 HydrophobicContact CD1-CD2 4.11Å; L41-L166 HydrophobicContact CD1-CD1 4.35Å; L41-L166 HydrophobicContact CD2-CD1 3.67Å; L41-L166 HydrophobicContact CG-CD1 3.76Å; M162-L166 HydrophobicContact CE-CG 4.4Å; M162-L166 HydrophobicContact CG-CD1 3.74Å; M162-L166 HydrophobicContact CG-CG 4.3Å; M162-L166 WeakPolarHBondContact O-CB 3.43Å; M162-L166 VanDerWaalsContact O-CG 3.28Å; M162-L166 WeakPolarHBondContact O-CG 3.41Å; M162-L166 PolarHBondContact O-N 3.27Å; G163-L166 PolarHBondContact O-N 2.96Å; L166-A168 VanDerWaalsContact C-N 3.29Å; L166-A168 PolarHBondContact O-N 3.49Å; L166-L169 HydrophobicContact CD2-CD1 4.29Å; L166-L169 PolarHBondContact O-N 3.16Å; L166-L169 VanDerWaalsContact O-N 3.15Å; L166-E170 PolarHBondContact O-N 3.15Å
167D86Confident83Confident67 Ų6776.5 Ų76.536%0.35840%0.397SS..Hα-helixtrans-56.8-43.9171.9-66.1-14.9000111R159 G163 L169 E170 Q171R159-D167 IonicContact NH2-OD2 3.64Å; G163-D167 WeakPolarHBondContact O-CB 3.36Å; G163-D167 PolarHBondContact O-N 3.02Å; D167-L169 VanDerWaalsContact C-N 3.33Å; D167-L169 PolarHBondContact O-N 3.23Å; D167-E170 PolarHBondContact O-N 3.2Å; D167-Q171 WeakPolarHBondContact O-CG 3.4Å; D167-Q171 PolarHBondContact O-N 3.35Å
168A85.3Confident84.3Confident51 Ų5178.1 Ų78.142%0.42140%0.395SS..Hα-helixtrans-66.9-35.3178.900000112.2I164 V165 L166 Q172I164-A168 WeakPolarHBondContact O-CB 3.41Å; I164-A168 PolarHBondContact O-N 2.9Å; I164-A168 VanDerWaalsContact O-N 3.1Å; V165-A168 PolarHBondContact O-N 3.38Å; L166-A168 VanDerWaalsContact C-N 3.29Å; L166-A168 PolarHBondContact O-N 3.49Å; A168-Q172 WeakPolarHBondContact O-CB 3.43Å; A168-Q172 PolarHBondContact O-N 3.29Å; A168-Q172 VanDerWaalsContact O-N 3.13Å
169L85.4Confident85.1Confident93 Ų9378.2 Ų78.249%0.48740%0.4SS..Hα-helixtrans-68.7-41.5175-70.7172.5000111.7V165 L166 D167 Q172 E173V165-L169 HydrophobicContact CG1-CD1 4.16Å; V165-L169 WeakPolarHBondContact O-CG 3.14Å; V165-L169 PolarHBondContact O-N 3Å; L166-L169 HydrophobicContact CD2-CD1 4.29Å; L166-L169 PolarHBondContact O-N 3.16Å; L166-L169 VanDerWaalsContact O-N 3.15Å; D167-L169 VanDerWaalsContact C-N 3.33Å; D167-L169 PolarHBondContact O-N 3.23Å; L169-Q172 WeakPolarHBondContact O-CB 3.48Å; L169-Q172 PolarHBondContact O-N 3.45Å; L169-E173 PolarHBondContact O-N 3.01Å
170E85.5Confident85.6Confident115 Ų11576.1 Ų76.154%0.53740%0.4SS..Hα-helixtrans-62.9-45.7176.1-175.9171.9-165.700111.3L166 D167 Q172 E173 E174L166-E170 PolarHBondContact O-N 3.15Å; D167-E170 PolarHBondContact O-N 3.2Å; E170-Q172 PolarHBondContact O-N 3.01Å; E170-E173 WeakPolarHBondContact O-CB 3.26Å; E170-E173 PolarHBondContact O-N 3.11Å; E170-E173 VanDerWaalsContact O-N 3.14Å; E170-E174 PolarHBondContact O-N 3.13Å
171Q84.3Confident85.9Confident144 Ų14480 Ų8067%0.67342%0.421SS*.Hα-helixtrans-58.9-36.7174.3-74.4-179.8-9.700112.6D167 G175D167-Q171 WeakPolarHBondContact O-CG 3.4Å; D167-Q171 PolarHBondContact O-N 3.35Å; Q171-G175 PolarHBondContact O-N 3.45Å
172Q84.3Confident86.1Confident122 Ų12285.5 Ų85.557%0.5744%0.436SS*.Hα-helixtrans-68.2-43176.2-166.7-164.7-73.600111.6A168 L169 E170 G175 I176A168-Q172 WeakPolarHBondContact O-CB 3.43Å; A168-Q172 PolarHBondContact O-N 3.29Å; A168-Q172 VanDerWaalsContact O-N 3.13Å; L169-Q172 WeakPolarHBondContact O-CB 3.48Å; L169-Q172 PolarHBondContact O-N 3.45Å; E170-Q172 PolarHBondContact O-N 3.01Å; Q172-G175 PolarHBondContact O-N 3.08Å; Q172-I176 HydrophobicContact CG-CD1 4.45Å; Q172-I176 WeakPolarHBondContact O-CG1 3.07Å; Q172-I176 PolarHBondContact O-N 3.23Å
173E84.7Confident86.3Confident102 Ų10288.3 Ų88.348%0.47745%0.451SS..Hα-helixtrans-60.1-47.3176.5-176-179.7173.100111.3L169 E170 G175 I176 N177L169-E173 PolarHBondContact O-N 3.01Å; E170-E173 WeakPolarHBondContact O-CB 3.26Å; E170-E173 PolarHBondContact O-N 3.11Å; E170-E173 VanDerWaalsContact O-N 3.14Å; E173-G175 VanDerWaalsContact C-N 3.26Å; E173-G175 PolarHBondContact O-N 3.29Å; E173-I176 PolarHBondContact O-N 3.05Å; E173-I176 VanDerWaalsContact O-N 3.12Å; E173-N177 PolarHBondContact O-N 3.35Å
174E85.5Confident86.6Confident90 Ų9090.8 Ų90.842%0.42147%0.467SS..Hα-helixtrans-56.9-40.7174.8-72.9-168.9-168.200112.3E170 N177 R178E170-E174 PolarHBondContact O-N 3.13Å; E174-N177 PolarHBondContact O-N 3Å; E174-R178 WeakPolarHBondContact O-CB 3.41Å; E174-R178 VanDerWaalsContact O-CG 3.27Å; E174-R178 WeakPolarHBondContact O-CG 3.25Å; E174-R178 PolarHBondContact O-N 3.27Å; E174-R178 IonicContact OE2-CZ 3.97Å; E174-R178 IonicContact OE2-NH2 3.01Å; E174-R178 PolarHBondContact OE2-NH2 3.08Å
175G82.8Confident86.7Confident39 Ų3994.4 Ų94.440%0.40248%0.48SS..Hα-helixtrans-62-41.7176.600000113Q171 Q172 E173 L179Q171-G175 PolarHBondContact O-N 3.45Å; Q172-G175 PolarHBondContact O-N 3.08Å; E173-G175 VanDerWaalsContact C-N 3.26Å; E173-G175 PolarHBondContact O-N 3.29Å; G175-L179 PolarHBondContact O-N 3.44Å; G175-L179 VanDerWaalsContact O-N 3.08Å
176I84.8Confident86.7Confident85 Ų8596.9 Ų96.944%0.43650%0.495SS..Hα-helixtrans-67.5-43.5177.3-67.3168.1000110.8Q172 E173 L179 T180Q172-I176 HydrophobicContact CG-CD1 4.45Å; Q172-I176 WeakPolarHBondContact O-CG1 3.07Å; Q172-I176 PolarHBondContact O-N 3.23Å; E173-I176 PolarHBondContact O-N 3.05Å; E173-I176 VanDerWaalsContact O-N 3.12Å; I176-L179 PolarHBondContact O-N 2.69Å; I176-T180 PolarHBondContact O-N 2.59Å; I176-T180 PolarHBondContact O-OG1 3.05Å
177N87.1Confident86.4Confident81 Ų81104.7 Ų104.743%0.43353%0.528SS..Hα-helixtrans-62.2-45.9178.8-71-19.3000110.9E173 E174 L179 T180 D181E173-N177 PolarHBondContact O-N 3.35Å; E174-N177 PolarHBondContact O-N 3Å; N177-L179 VanDerWaalsContact C-N 3.34Å; N177-L179 PolarHBondContact O-N 3.09Å; N177-T180 WeakPolarHBondContact O-CB 3.32Å; N177-T180 PolarHBondContact O-N 2.84Å; N177-T180 VanDerWaalsContact O-N 3.16Å; N177-D181 PolarHBondContact O-N 2.93Å
178R87.7Confident85.6Confident153 Ų153112 Ų11258%0.57756%0.56SS**Hα-helixtrans-58.5-44.6174.5-70.7176-164.3-174.511.3112.1E174 T180 D181 Y182E174-R178 WeakPolarHBondContact O-CB 3.41Å; E174-R178 VanDerWaalsContact O-CG 3.27Å; E174-R178 WeakPolarHBondContact O-CG 3.25Å; E174-R178 PolarHBondContact O-N 3.27Å; E174-R178 IonicContact OE2-CZ 3.97Å; E174-R178 IonicContact OE2-NH2 3.01Å; E174-R178 PolarHBondContact OE2-NH2 3.08Å; R178-T180 VanDerWaalsContact C-N 3.31Å; R178-T180 PolarHBondContact O-N 3.23Å; R178-D181 PolarHBondContact O-N 3.39Å; R178-Y182 WeakPolarHBondContact O-CD2 3.42Å; R178-Y182 PolarHBondContact O-N 3.35Å
179L85.7Confident85.6Confident106 Ų106115.1 Ų115.156%0.55557%0.567SS**Hα-helixtrans-61.2-42.2177.2179.265.8000111.6G175 I176 N177 Y182 I183G175-L179 PolarHBondContact O-N 3.44Å; G175-L179 VanDerWaalsContact O-N 3.08Å; I176-L179 PolarHBondContact O-N 2.69Å; N177-L179 VanDerWaalsContact C-N 3.34Å; N177-L179 PolarHBondContact O-N 3.09Å; L179-Y182 PolarHBondContact O-N 2.86Å; L179-I183 HydrophobicContact CD1-CD1 4.33Å; L179-I183 HydrophobicContact CG-CD1 4.04Å; L179-I183 WeakPolarHBondContact O-CG1 3.45Å; L179-I183 PolarHBondContact O-N 2.84Å
180T88.9Confident85.7Confident76 Ų76116.3 Ų116.347%0.46657%0.571SS.*Hα-helixtrans-61.9-44.9177.9-53.50000110.9I176 N177 R178 Y182 I183 S184I176-T180 PolarHBondContact O-N 2.59Å; I176-T180 PolarHBondContact O-OG1 3.05Å; N177-T180 WeakPolarHBondContact O-CB 3.32Å; N177-T180 PolarHBondContact O-N 2.84Å; N177-T180 VanDerWaalsContact O-N 3.16Å; R178-T180 VanDerWaalsContact C-N 3.31Å; R178-T180 PolarHBondContact O-N 3.23Å; T180-Y182 VanDerWaalsContact C-N 3.32Å; T180-Y182 PolarHBondContact O-N 3.18Å; T180-I183 PolarHBondContact O-N 2.89Å; T180-S184 PolarHBondContact O-N 3.43Å; T180-S184 PolarHBondContact O-OG 3.16Å
181D91Very high85.7Confident90 Ų90116.3 Ų116.348%0.48157%0.573SS.*Hα-helixtrans-63.2-35.1175.6-69.6-14.9000112.7N177 R178 S184 K185N177-D181 PolarHBondContact O-N 2.93Å; R178-D181 PolarHBondContact O-N 3.39Å; D181-S184 WeakPolarHBondContact CA-OG 3.16Å; D181-S184 PolarHBondContact O-OG 3.45Å; D181-K185 WeakPolarHBondContact O-CB 3.3Å; D181-K185 VanDerWaalsContact O-CG 3.28Å; D181-K185 WeakPolarHBondContact O-CG 3.5Å; D181-K185 PolarHBondContact O-N 3.06Å; D181-K185 VanDerWaalsContact O-N 3.13Å
182Y90.1Very high85.7Confident165 Ų165114.7 Ų114.765%0.64757%0.567SS**Hα-helixtrans-66.7-44.5173-87.1-70.6000111.5R178 L179 T180 S184 K185 V186R178-Y182 WeakPolarHBondContact O-CD2 3.42Å; R178-Y182 PolarHBondContact O-N 3.35Å; L179-Y182 PolarHBondContact O-N 2.86Å; T180-Y182 VanDerWaalsContact C-N 3.32Å; T180-Y182 PolarHBondContact O-N 3.18Å; Y182-S184 VanDerWaalsContact C-N 3.33Å; Y182-S184 PolarHBondContact O-N 2.56Å; Y182-K185 PolarHBondContact O-N 3Å; Y182-V186 VanDerWaalsContact O-CG2 3.29Å; Y182-V186 WeakPolarHBondContact O-CG2 3.41Å; Y182-V186 PolarHBondContact O-N 3.32Å
183I89.9Confident85.8Confident105 Ų105114.3 Ų114.354%0.53857%0.567SS.*Hα-helixtrans-64-40179-68.4167.2000110.7L179 T180 V186 K187L179-I183 HydrophobicContact CD1-CD1 4.33Å; L179-I183 HydrophobicContact CG-CD1 4.04Å; L179-I183 WeakPolarHBondContact O-CG1 3.45Å; L179-I183 PolarHBondContact O-N 2.84Å; T180-I183 PolarHBondContact O-N 2.89Å; I183-V186 PolarHBondContact O-N 3.32Å; I183-K187 WeakPolarHBondContact O-CB 2.99Å; I183-K187 PolarHBondContact O-N 3.07Å
184S89.6Confident85.9Confident61 Ų61115.1 Ų115.143%0.42757%0.573SS.*Hα-helixtrans-64.9-43.6177.264.10000111.8T180 D181 Y182 V186 K187 E188T180-S184 PolarHBondContact O-N 3.43Å; T180-S184 PolarHBondContact O-OG 3.16Å; D181-S184 WeakPolarHBondContact CA-OG 3.16Å; D181-S184 PolarHBondContact O-OG 3.45Å; Y182-S184 VanDerWaalsContact C-N 3.33Å; Y182-S184 PolarHBondContact O-N 2.56Å; S184-V186 VanDerWaalsContact C-N 3.34Å; S184-V186 PolarHBondContact O-N 3.28Å; S184-K187 PolarHBondContact O-N 3.34Å; S184-K187 VanDerWaalsContact O-N 3.17Å; S184-E188 PolarHBondContact O-N 2.77Å
185K88.1Confident85.9Confident144 Ų144116.9 Ų116.963%0.62658%0.584SS**Hα-helixtrans-66.9-28.7178-75.5175.5-179.5176.20114.5D181 Y182 K187D181-K185 WeakPolarHBondContact O-CB 3.3Å; D181-K185 VanDerWaalsContact O-CG 3.28Å; D181-K185 WeakPolarHBondContact O-CG 3.5Å; D181-K185 PolarHBondContact O-N 3.06Å; D181-K185 VanDerWaalsContact O-N 3.13Å; Y182-K185 PolarHBondContact O-N 3Å; K185-K187 VanDerWaalsContact C-N 3.31Å
186V87.8Confident86.2Confident122 Ų122122.8 Ų122.874%0.73960%0.598SS**Hα-helixtrans-79.2-19.4175.9170.60000111.7Y182 I183 S184Y182-V186 VanDerWaalsContact O-CG2 3.29Å; Y182-V186 WeakPolarHBondContact O-CG2 3.41Å; Y182-V186 PolarHBondContact O-N 3.32Å; I183-V186 PolarHBondContact O-N 3.32Å; S184-V186 VanDerWaalsContact C-N 3.34Å; S184-V186 PolarHBondContact O-N 3.28Å
187K81.1Confident86.3Confident187 Ų187126 Ų12681%0.81361%0.612SS**Hα-helixtrans-89.6-17.6179.9-165.6176.9177.2-172.30112.9I183 S184 K185I183-K187 WeakPolarHBondContact O-CB 2.99Å; I183-K187 PolarHBondContact O-N 3.07Å; S184-K187 PolarHBondContact O-N 3.34Å; S184-K187 VanDerWaalsContact O-N 3.17Å; K185-K187 VanDerWaalsContact C-N 3.31Å
188E68.8Low86.2Confident222 Ų222130.1 Ų130.1100%1.03763%0.628SS**  trans-80.80166.2-72.4-177155.100111.3S184S184-E188 PolarHBondContact O-N 2.77Å

Retrieved 188 of 188 residues in 140.6 ms (Link to these results)

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