A0A060XVX2_ONCMY Loading...

Anti-proliferative protein domain-containing protein

AlphaFold DB (B5X3Q0), UniProt , Accession A0A060XVX2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 166 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
1M34.7Very low55Low234 Ų234113.4 Ų113.4100%1.15359%0.591SS**  0130.80-73.977.3175.100109.2
2N37.3Very low58.4Low151 Ų151105.8 Ų105.881%0.80756%0.56SS**  trans17.496.5167.4-72.13000120.4
3Q41.4Very low61.4Low176 Ų176102.5 Ų102.582%0.82255%0.549SS*.  trans-92.4-1.1160.1-75.2-102.829.700112.9Y5Q3-Y5 PolarHBondContact O-N 2.88Å
4G39Very low64.1Low42 Ų4295.4 Ų95.443%0.43351%0.511SS..SBendtrans-80.9-14.2-167.200000116.6
5Y42.2Very low66.4Low215 Ų21589.2 Ų89.284%0.84348%0.478SS*.SBendtrans-98.3-13.4-174.4-104.2-93.5000114.5Q3Q3-Y5 PolarHBondContact O-N 2.88Å
6S52Low68.4Low77 Ų7787.4 Ų87.454%0.53847%0.471SS..SBendtrans-85.1-27.3-174.6-65.30000114.5R8S6-R8 PolarHBondContact O-N 3.17Å
7S57.3Low70.2Confident18 Ų1883.6 Ų83.613%0.12645%0.454CS..Hα-helixtrans-71.4-30.9-171.570.80000113.8G9 E10 M11S7-G9 VanDerWaalsContact C-N 3.32Å; S7-G9 PolarHBondContact O-N 3.23Å; S7-E10 PolarHBondContact O-N 3.35Å; S7-M11 WeakPolarHBondContact O-CE 3.35Å; S7-M11 PolarHBondContact O-N 3.31Å
8R58.6Low71.7Confident162 Ų16278.9 Ų78.961%0.61143%0.429SS*.Hα-helixtrans-71.9-27.7-171.9-155.4176.1176.9-165.2-1.4112.6S6S6-R8 PolarHBondContact O-N 3.17Å
9G64.4Low73.2Confident64 Ų6474.8 Ų74.866%0.6641%0.407SS*.Hα-helixtrans-78.8-31.317300000113.2S7S7-G9 VanDerWaalsContact C-N 3.32Å; S7-G9 PolarHBondContact O-N 3.23Å
10E83.7Confident74.4Confident108 Ų10872.2 Ų72.251%0.50539%0.393SS..Hα-helixtrans-75.7-24-175.1-76.4-175.2179.800115S7S7-E10 PolarHBondContact O-N 3.35Å
11M94.9Very high75.6Confident0 Ų069.8 Ų69.80%038%0.379CS..THydrogen-bonded Turntrans-108.81.4179.368.9-176.168.600113.8S7 E14 V15 Y52 W56S7-M11 WeakPolarHBondContact O-CE 3.35Å; S7-M11 PolarHBondContact O-N 3.31Å; M11-E14 VanDerWaalsContact C-OE2 3.3Å; M11-E14 PolarHBondContact O-N 3.18Å; M11-V15 HydrophobicContact CB-CG2 4.23Å; M11-V15 HydrophobicContact CG-CG2 3.94Å; M11-V15 WeakPolarHBondContact O-CB 3.39Å; M11-V15 WeakPolarHBondContact O-CG2 3.13Å; M11-V15 PolarHBondContact O-N 3.35Å; M11-V15 HydrophobicContact SD-CG2 4.19Å; M11-Y52 HydrophobicContact SD-CD2 4.25Å; M11-W56 HydrophobicContact CB-CD2 3.72Å; M11-W56 HydrophobicContact CB-CE3 4.1Å; M11-W56 HydrophobicContact CB-CG 4.31Å; M11-W56 HydrophobicContact CB-CH2 3.9Å; M11-W56 HydrophobicContact CB-CZ2 3.45Å; M11-W56 VanDerWaalsContact CB-CZ2 3.45Å; M11-W56 HydrophobicContact CB-CZ3 4.19Å; M11-W56 HydrophobicContact CE-CB 3.75Å; M11-W56 HydrophobicContact CE-CD2 4.07Å; M11-W56 HydrophobicContact CE-CE3 4.42Å; M11-W56 HydrophobicContact CE-CG 3.77Å
12G95.7Very high78.6Confident22 Ų2258.6 Ų58.623%0.22732%0.324CS..Hα-helixtrans-56.2-50.7-170.900000113.6E14 T16G12-E14 PolarHBondContact O-N 2.91Å; G12-T16 VanDerWaalsContact O-CB 3.25Å; G12-T16 WeakPolarHBondContact O-CB 3.42Å; G12-T16 PolarHBondContact O-N 2.93Å; G12-T16 PolarHBondContact O-OG1 2.93Å
13P97.4Very high81.5Confident63 Ų6351.5 Ų51.541%0.40929%0.286SS..Hα-helixtrans-58.3-44.9178.9-26.436.1000113.4T16 A17 Y125P13-T16 PolarHBondContact O-N 3Å; P13-A17 WeakPolarHBondContact O-CB 3.25Å; P13-A17 PolarHBondContact O-N 2.88Å; P13-Y125 HydrophobicContact CB-CE1 4.4Å; P13-Y125 HydrophobicContact CB-CE2 3.96Å; P13-Y125 WeakPolarHBondContact CB-OH 3.28Å
14E98.5Very high84.1Confident4 Ų449.9 Ų49.92%0.01927%0.272CS..Hα-helixtrans-67.6-47.6-178.1-63.787162.800111.2M11 G12 T16 A17 A18 W56 V106 D107 F109 V111 Y125M11-E14 VanDerWaalsContact C-OE2 3.3Å; M11-E14 PolarHBondContact O-N 3.18Å; G12-E14 PolarHBondContact O-N 2.91Å; E14-T16 VanDerWaalsContact C-N 3.3Å; E14-T16 PolarHBondContact O-N 3.17Å; E14-A17 PolarHBondContact O-N 3.18Å; E14-A18 WeakPolarHBondContact O-CB 3.42Å; E14-A18 PolarHBondContact O-N 3.47Å; E14-W56 HydrophobicContact CB-CH2 3.9Å; E14-W56 HydrophobicContact CB-CZ2 4.32Å; E14-W56 HydrophobicContact CG-CH2 4.03Å; E14-W56 HydrophobicContact CG-CZ2 4.13Å; E14-V106 HydrophobicContact CB-CG1 3.87Å; E14-D107 WeakPolarHBondContact CG-O 3.33Å; E14-F109 PolarHBondContact OE1-N 2.92Å; E14-V111 HydrophobicContact CB-CG2 3.69Å; E14-V111 HydrophobicContact CG-CG2 4.11Å; E14-V111 WeakPolarHBondContact O-CG2 3.27Å; E14-Y125 HydrophobicContact CG-CD1 3.88Å; E14-Y125 HydrophobicContact CG-CE1 3.68Å
15V98.4Very high86.9Confident2 Ų249.1 Ų49.11%0.01226%0.258CS..Hα-helixtrans-62.1-39.7176.5169.50000111M11 A18 A19 Q45 L48 Y52M11-V15 HydrophobicContact CB-CG2 4.23Å; M11-V15 HydrophobicContact CG-CG2 3.94Å; M11-V15 WeakPolarHBondContact O-CB 3.39Å; M11-V15 WeakPolarHBondContact O-CG2 3.13Å; M11-V15 PolarHBondContact O-N 3.35Å; M11-V15 HydrophobicContact SD-CG2 4.19Å; V15-A18 PolarHBondContact O-N 3.47Å; V15-A19 WeakPolarHBondContact O-CB 3.48Å; V15-A19 PolarHBondContact O-N 3.48Å; V15-Q45 HydrophobicContact CG1-CB 3.96Å; V15-Q45 HydrophobicContact CG1-CG 4.04Å; V15-Q45 WeakPolarHBondContact CG1-O 3.43Å; V15-L48 HydrophobicContact CG1-CB 4Å; V15-L48 HydrophobicContact CG1-CD1 4.31Å; V15-L48 HydrophobicContact CG2-CB 4.32Å; V15-Y52 HydrophobicContact CG2-CD2 4.12Å; V15-Y52 HydrophobicContact CG2-CE2 4.17Å
16T98.6Very high89.4Confident60 Ų6038.9 Ų38.937%0.36822%0.218SC..Hα-helixtrans-64.1-43.5175.8-59.80000111.5G12 P13 E14 T20 Q45G12-T16 VanDerWaalsContact O-CB 3.25Å; G12-T16 WeakPolarHBondContact O-CB 3.42Å; G12-T16 PolarHBondContact O-N 2.93Å; G12-T16 PolarHBondContact O-OG1 2.93Å; P13-T16 PolarHBondContact O-N 3Å; E14-T16 VanDerWaalsContact C-N 3.3Å; E14-T16 PolarHBondContact O-N 3.17Å; T16-T20 WeakPolarHBondContact O-CB 3.42Å; T16-T20 PolarHBondContact O-N 3.22Å; T16-T20 PolarHBondContact O-OG1 3.28Å; T16-Q45 PolarHBondContact OG1-OE1 3.28Å
17A98.7Very high91.5Very high23 Ų2341.1 Ų41.119%0.1922%0.215CC..Hα-helixtrans-62-47.4177.800000111.2P13 E14 T20 F21 V111 Y125P13-A17 WeakPolarHBondContact O-CB 3.25Å; P13-A17 PolarHBondContact O-N 2.88Å; E14-A17 PolarHBondContact O-N 3.18Å; A17-T20 PolarHBondContact O-N 3.36Å; A17-F21 WeakPolarHBondContact O-CB 3.49Å; A17-F21 PolarHBondContact O-N 2.91Å; A17-V111 HydrophobicContact CB-CG2 4.21Å; A17-Y125 HydrophobicContact CB-CG 4.34Å
18A98.7Very high93.1Very high0 Ų045.7 Ų45.70%024%0.242CC..Hα-helixtrans-59.9-52.5177.400000112.3E14 V15 T20 F21 V22 L104 V106 V111E14-A18 WeakPolarHBondContact O-CB 3.42Å; E14-A18 PolarHBondContact O-N 3.47Å; V15-A18 PolarHBondContact O-N 3.47Å; A18-T20 VanDerWaalsContact C-N 3.3Å; A18-T20 PolarHBondContact O-N 2.82Å; A18-F21 WeakPolarHBondContact O-CB 3.36Å; A18-F21 PolarHBondContact O-N 3.09Å; A18-V22 PolarHBondContact O-N 3Å; A18-V22 VanDerWaalsContact O-N 3.09Å; A18-L104 HydrophobicContact CB-CD2 4.03Å; A18-V106 HydrophobicContact CB-CG1 4.34Å; A18-V106 HydrophobicContact CB-CG2 3.63Å; A18-V111 HydrophobicContact CB-CG1 4.25Å
19A98.6Very high94.2Very high0 Ų044.7 Ų44.70%024%0.238CC..Hα-helixtrans-64-37.3-179.400000112.2V15 S23 R41 L44 Q45V15-A19 WeakPolarHBondContact O-CB 3.48Å; V15-A19 PolarHBondContact O-N 3.48Å; A19-S23 VanDerWaalsContact O-CB 3.28Å; A19-S23 WeakPolarHBondContact O-CB 3.38Å; A19-S23 PolarHBondContact O-N 3.4Å; A19-R41 HydrophobicContact CB-CG 3.88Å; A19-L44 HydrophobicContact CB-CB 4.25Å; A19-L44 HydrophobicContact CB-CD2 3.96Å; A19-L44 HydrophobicContact CB-CG 4.01Å; A19-Q45 HydrophobicContact CB-CG 3.57Å
20T98.5Very high95Very high23 Ų2342.9 Ų42.914%0.14122%0.22CC..Hα-helixtrans-64.5-41.2175.1-69.90000112.1T16 A17 A18 S23 R24 R41T16-T20 WeakPolarHBondContact O-CB 3.42Å; T16-T20 PolarHBondContact O-N 3.22Å; T16-T20 PolarHBondContact O-OG1 3.28Å; A17-T20 PolarHBondContact O-N 3.36Å; A18-T20 VanDerWaalsContact C-N 3.3Å; A18-T20 PolarHBondContact O-N 2.82Å; T20-S23 PolarHBondContact O-N 3.25Å; T20-R24 WeakPolarHBondContact O-CB 3.19Å; T20-R24 VanDerWaalsContact O-CG 3.27Å; T20-R24 WeakPolarHBondContact O-CG 3.44Å; T20-R24 PolarHBondContact O-N 3.25Å; T20-R41 VanDerWaalsContact CB-NH1 3.34Å; T20-R41 VanDerWaalsContact CG2-NH1 3.28Å; T20-R41 PolarHBondContact OG1-NH1 3.29Å
21F98.6Very high95.3Very high21 Ų2145.4 Ų45.49%0.09223%0.229CC..Hα-helixtrans-62.2-48.9177.1173.9-110.8000111.6A17 A18 S23 R24 L25 L102 L104 Y113 L124A17-F21 WeakPolarHBondContact O-CB 3.49Å; A17-F21 PolarHBondContact O-N 2.91Å; A18-F21 WeakPolarHBondContact O-CB 3.36Å; A18-F21 PolarHBondContact O-N 3.09Å; F21-S23 PolarHBondContact O-N 3.47Å; F21-R24 WeakPolarHBondContact O-CB 3.49Å; F21-R24 PolarHBondContact O-N 2.84Å; F21-R24 VanDerWaalsContact O-N 3.15Å; F21-L25 HydrophobicContact CD1-CD1 4.27Å; F21-L25 HydrophobicContact CE1-CD1 3.72Å; F21-L25 HydrophobicContact CE1-CG 4.43Å; F21-L25 HydrophobicContact CE2-CD2 4.36Å; F21-L25 HydrophobicContact CE2-CG 4.41Å; F21-L25 HydrophobicContact CZ-CD1 3.86Å; F21-L25 HydrophobicContact CZ-CD2 4.26Å; F21-L25 HydrophobicContact CZ-CG 4.23Å; F21-L25 PolarHBondContact O-N 3.13Å; F21-L102 HydrophobicContact CE1-CD1 4.04Å; F21-L102 HydrophobicContact CE1-CD2 4.32Å; F21-L104 HydrophobicContact CD1-CD1 4.39Å; F21-L104 HydrophobicContact CD1-CD2 4.32Å; F21-Y113 HydrophobicContact CE1-CD1 4.49Å; F21-Y113 HydrophobicContact CE1-CD2 4.06Å; F21-Y113 HydrophobicContact CE1-CG 4.01Å; F21-Y113 HydrophobicContact CE2-CD1 4.49Å; F21-Y113 HydrophobicContact CE2-CD2 4.46Å; F21-Y113 HydrophobicContact CE2-CE1 4.18Å; F21-Y113 HydrophobicContact CE2-CE2 4.21Å; F21-Y113 HydrophobicContact CZ-CD1 4.15Å; F21-Y113 AromaticContact CZ-CD2 3.59Å; F21-Y113 HydrophobicContact CZ-CD2 3.59Å; F21-Y113 HydrophobicContact CZ-CE1 4.18Å; F21-Y113 AromaticContact CZ-CE2 3.66Å; F21-Y113 HydrophobicContact CZ-CE2 3.66Å; F21-Y113 AromaticContact CZ-CG 3.84Å; F21-Y113 HydrophobicContact CZ-CG 3.84Å; F21-Y113 AromaticContact CZ-CZ 3.95Å; F21-L124 HydrophobicContact CB-CD1 3.77Å; F21-L124 HydrophobicContact CB-CD2 4.46Å; F21-L124 HydrophobicContact CD1-CD1 3.64Å; F21-L124 HydrophobicContact CD2-CD1 3.75Å; F21-L124 HydrophobicContact CD2-CD2 3.55Å; F21-L124 HydrophobicContact CD2-CG 4.31Å; F21-L124 HydrophobicContact CE1-CD1 4.11Å; F21-L124 HydrophobicContact CE2-CD1 4.22Å; F21-L124 HydrophobicContact CE2-CD2 3.94Å; F21-L124 HydrophobicContact CG-CD1 3.43Å; F21-L124 VanDerWaalsContact CG-CD1 3.43Å; F21-L124 HydrophobicContact CG-CD2 4.08Å; F21-L124 HydrophobicContact CG-CG 4.42Å; F21-L124 HydrophobicContact CZ-CD1 4.38Å
22V97.9Very high95.2Very high0 Ų046.2 Ų46.20%023%0.233CC..Hα-helixtrans-64.1-41.9178.6-176.20000111.5A18 R24 L25 L26 F40 L44 I80 L98 L104A18-V22 PolarHBondContact O-N 3Å; A18-V22 VanDerWaalsContact O-N 3.09Å; V22-R24 VanDerWaalsContact C-N 3.28Å; V22-R24 PolarHBondContact O-N 3.25Å; V22-L25 WeakPolarHBondContact O-CB 3.42Å; V22-L25 PolarHBondContact O-N 3.37Å; V22-L25 VanDerWaalsContact O-N 3.12Å; V22-L26 PolarHBondContact O-N 3.19Å; V22-F40 HydrophobicContact CB-CE1 4.26Å; V22-F40 HydrophobicContact CB-CZ 4.45Å; V22-F40 HydrophobicContact CG1-CE1 3.95Å; V22-F40 HydrophobicContact CG1-CZ 3.76Å; V22-L44 HydrophobicContact CB-CD2 4.21Å; V22-L44 HydrophobicContact CG2-CD2 4.46Å; V22-I80 HydrophobicContact CG1-CD1 4.12Å; V22-I80 HydrophobicContact CG2-CD1 4.26Å; V22-L98 HydrophobicContact CG1-CD2 4.18Å; V22-L104 HydrophobicContact CG2-CD2 4.05Å
23S97.9Very high95.2Very high1 Ų147.8 Ų47.81%0.00724%0.241CC..Hα-helixtrans-59-38.7174.7-178.20000111.9A19 T20 F21 L26 R27 L37 R41A19-S23 VanDerWaalsContact O-CB 3.28Å; A19-S23 WeakPolarHBondContact O-CB 3.38Å; A19-S23 PolarHBondContact O-N 3.4Å; T20-S23 PolarHBondContact O-N 3.25Å; F21-S23 PolarHBondContact O-N 3.47Å; S23-L26 PolarHBondContact O-N 2.93Å; S23-R27 PolarHBondContact O-N 3.25Å; S23-L37 PolarHBondContact OG-O 3.39Å; S23-R41 PolarHBondContact OG-NH2 3.31Å
24R97.3Very high95.1Very high142 Ų14250.3 Ų50.354%0.53625%0.247SC..Hα-helixtrans-64.5-41174.1-75.3171.3178.9175.52112.2T20 F21 V22 R27 T28T20-R24 WeakPolarHBondContact O-CB 3.19Å; T20-R24 VanDerWaalsContact O-CG 3.27Å; T20-R24 WeakPolarHBondContact O-CG 3.44Å; T20-R24 PolarHBondContact O-N 3.25Å; F21-R24 WeakPolarHBondContact O-CB 3.49Å; F21-R24 PolarHBondContact O-N 2.84Å; F21-R24 VanDerWaalsContact O-N 3.15Å; V22-R24 VanDerWaalsContact C-N 3.28Å; V22-R24 PolarHBondContact O-N 3.25Å; R24-R27 PolarHBondContact O-N 2.89Å; R24-T28 PolarHBondContact O-N 3.01Å; R24-T28 PolarHBondContact O-OG1 3.14Å; R24-T28 VanDerWaalsContact O-OG1 3.11Å
25L96.1Very high95.1Very high26 Ų2656.3 Ų56.314%0.13628%0.275CS..Hα-helixtrans-60-46.4175.5-65.9175.7000111.4F21 V22 R27 T28 R29 L98 P99 L102F21-L25 HydrophobicContact CD1-CD1 4.27Å; F21-L25 HydrophobicContact CE1-CD1 3.72Å; F21-L25 HydrophobicContact CE1-CG 4.43Å; F21-L25 HydrophobicContact CE2-CD2 4.36Å; F21-L25 HydrophobicContact CE2-CG 4.41Å; F21-L25 HydrophobicContact CZ-CD1 3.86Å; F21-L25 HydrophobicContact CZ-CD2 4.26Å; F21-L25 HydrophobicContact CZ-CG 4.23Å; F21-L25 PolarHBondContact O-N 3.13Å; V22-L25 WeakPolarHBondContact O-CB 3.42Å; V22-L25 PolarHBondContact O-N 3.37Å; V22-L25 VanDerWaalsContact O-N 3.12Å; L25-R27 VanDerWaalsContact C-N 3.31Å; L25-R27 PolarHBondContact O-N 3.36Å; L25-T28 PolarHBondContact O-N 2.92Å; L25-R29 PolarHBondContact O-N 3.33Å; L25-L98 HydrophobicContact CB-CD2 3.71Å; L25-L98 HydrophobicContact CD1-CD2 4.33Å; L25-P99 HydrophobicContact CD1-CG 4.16Å; L25-P99 HydrophobicContact CD2-CG 4.48Å; L25-L102 HydrophobicContact CD1-CD2 4.04Å
26L95.8Very high95Very high0 Ų059 Ų590%029%0.287CS..Hα-helixtrans-59.9-41175.9-68.4176.6000112.1V22 S23 G30 L32 L37 F40 L94 L97 L98V22-L26 PolarHBondContact O-N 3.19Å; S23-L26 PolarHBondContact O-N 2.93Å; L26-G30 WeakPolarHBondContact O-CA 3.06Å; L26-G30 PolarHBondContact O-N 2.85Å; L26-L32 HydrophobicContact CB-CD1 3.87Å; L26-L32 HydrophobicContact CD1-CD1 4.37Å; L26-L37 HydrophobicContact CB-CD2 4.11Å; L26-F40 HydrophobicContact CD1-CD1 3.82Å; L26-F40 HydrophobicContact CD1-CD2 4.13Å; L26-F40 HydrophobicContact CD1-CE1 3.6Å; L26-F40 HydrophobicContact CD1-CE2 3.92Å; L26-F40 HydrophobicContact CD1-CG 4.07Å; L26-F40 HydrophobicContact CD1-CZ 3.65Å; L26-L94 HydrophobicContact CD2-CD2 3.84Å; L26-L97 HydrophobicContact CD2-CB 3.89Å; L26-L97 HydrophobicContact CD2-CD1 4.27Å; L26-L98 HydrophobicContact CD2-CD1 4.18Å; L26-L98 HydrophobicContact CD2-CD2 3.64Å; L26-L98 HydrophobicContact CD2-CG 3.76Å; L26-L98 HydrophobicContact CG-CD2 3.94Å
27R95.1Very high95Very high124 Ų12456.2 Ų56.247%0.46827%0.27SS..Hα-helixtrans-65-43.4177.1-172.5173.466.6177.64.4112.5S23 R24 L25 R29 E34 L37S23-R27 PolarHBondContact O-N 3.25Å; R24-R27 PolarHBondContact O-N 2.89Å; L25-R27 VanDerWaalsContact C-N 3.31Å; L25-R27 PolarHBondContact O-N 3.36Å; R27-R29 PolarHBondContact O-N 3.39Å; R27-E34 WeakPolarHBondContact CD-OE1 3.35Å; R27-E34 IonicContact NH1-OE1 3.48Å; R27-L37 HydrophobicContact CB-CD1 3.69Å; R27-L37 HydrophobicContact CB-CD2 4.33Å; R27-L37 HydrophobicContact CG-CD1 3.74Å
28T91.3Very high94.9Very high114 Ų11459.9 Ų59.970%0.69928%0.283SS*.Hα-helixtrans-63.6-30.2-176.2-64.90000112.7R24 L25R24-T28 PolarHBondContact O-N 3.01Å; R24-T28 PolarHBondContact O-OG1 3.14Å; R24-T28 VanDerWaalsContact O-OG1 3.11Å; L25-T28 PolarHBondContact O-N 2.92Å
29R82.9Confident94.9Very high142 Ų14263 Ų6354%0.53630%0.3SS..Hα-helixtrans-110.9-2.4-175.7-58.1-163.8-176.2169.9-3114.3L25 R27 L97 L98L25-R29 PolarHBondContact O-N 3.33Å; R27-R29 PolarHBondContact O-N 3.39Å; R29-L97 HydrophobicContact CB-CD2 4.3Å; R29-L97 WeakPolarHBondContact CB-O 3.42Å; R29-L97 VanDerWaalsContact CD-O 3.3Å; R29-L97 WeakPolarHBondContact CD-O 3.33Å; R29-L97 WeakPolarHBondContact O-CD2 3.45Å; R29-L98 PolarHBondContact NH1-O 2.93Å
30G81.3Confident94.9Very high26 Ų2663 Ų6327%0.26830%0.3SS..SBendtrans-123.6173-16700000115.2L26 L97L26-G30 WeakPolarHBondContact O-CA 3.06Å; L26-G30 PolarHBondContact O-N 2.85Å; G30-L97 VanDerWaalsContact CA-CD2 3.41Å
31F88.3Confident94.9Very high160 Ų16064.3 Ų64.370%0.70230%0.302SS*.  trans-103.920.1177.754.5-91.3000112.2
32L94.1Very high94.9Very high17 Ų1766.9 Ų66.99%0.08932%0.317CS..  trans-71.7137.8-174.7-61.6174.6000111.4L26 L37 I87 L89L26-L32 HydrophobicContact CB-CD1 3.87Å; L26-L32 HydrophobicContact CD1-CD1 4.37Å; L32-L37 HydrophobicContact CB-CD2 4.02Å; L32-L37 HydrophobicContact CB-CG 3.97Å; L32-L37 HydrophobicContact CD1-CD2 3.75Å; L32-I87 HydrophobicContact CD1-CD1 4.12Å; L32-I87 HydrophobicContact CD2-CD1 4.25Å; L32-L89 HydrophobicContact CD1-CD1 4.02Å; L32-L89 HydrophobicContact CD2-CD1 4.23Å; L32-L89 HydrophobicContact CD2-CD2 4.14Å; L32-L89 HydrophobicContact CD2-CG 4.38Å
33S95.7Very high94.9Very high55 Ų5567.9 Ų67.939%0.38532%0.324SS..  trans-70.5156.9171.663.60000111.9H35 Q36 L37S33-H35 PolarHBondContact O-N 3.39Å; S33-Q36 VanDerWaalsContact N-OE1 3.08Å; S33-Q36 PolarHBondContact O-N 2.88Å; S33-Q36 VanDerWaalsContact O-N 3.15Å; S33-Q36 WeakPolarHBondContact OG-CG 3.3Å; S33-Q36 PolarHBondContact OG-N 2.83Å; S33-Q36 PolarHBondContact OG-OE1 2.9Å; S33-L37 WeakPolarHBondContact O-CG 3.46Å; S33-L37 PolarHBondContact O-N 3.05Å
34E95.6Very high94.9Very high117 Ų11767.9 Ų67.955%0.54732%0.323SS..Hα-helixtrans-60.2-32.4175.2-69.9-65135.700112.3R27 L37 H38R27-E34 WeakPolarHBondContact CD-OE1 3.35Å; R27-E34 IonicContact NH1-OE1 3.48Å; E34-L37 PolarHBondContact O-N 3.41Å; E34-H38 WeakPolarHBondContact O-CB 3.22Å; E34-H38 PolarHBondContact O-N 3.29Å
35H97.1Very high95Very high129 Ų12963.2 Ų63.260%0.59731%0.308SS*.Hα-helixtrans-63.6-47.3173.7-171.8-73.4000111.8S33 L37 H38 D39S33-H35 PolarHBondContact O-N 3.39Å; H35-L37 VanDerWaalsContact C-N 3.32Å; H35-L37 PolarHBondContact O-N 3.41Å; H35-H38 WeakPolarHBondContact O-CB 3.31Å; H35-H38 PolarHBondContact O-N 3.02Å; H35-D39 IonicContact CE1-OD1 3.91Å; H35-D39 IonicContact CE1-OD2 2.89Å; H35-D39 PolarHBondContact CE1-OD2 3.09Å; H35-D39 IonicContact ND1-OD1 3.62Å; H35-D39 IonicContact ND1-OD2 3.67Å; H35-D39 PolarHBondContact ND1-OD2 2.95Å; H35-D39 VanDerWaalsContact O-CG 3.32Å; H35-D39 PolarHBondContact O-N 3.29Å
36Q97.6Very high95Very high59 Ų5966.5 Ų66.528%0.27632%0.323SS..Hα-helixtrans-62.4-41175.5-72.7170.2-67.600111.6S33 H38 D39 F40 I87S33-Q36 VanDerWaalsContact N-OE1 3.08Å; S33-Q36 PolarHBondContact O-N 2.88Å; S33-Q36 VanDerWaalsContact O-N 3.15Å; S33-Q36 WeakPolarHBondContact OG-CG 3.3Å; S33-Q36 PolarHBondContact OG-N 2.83Å; S33-Q36 PolarHBondContact OG-OE1 2.9Å; Q36-H38 VanDerWaalsContact C-N 3.28Å; Q36-H38 PolarHBondContact O-N 2.93Å; Q36-D39 PolarHBondContact O-N 3.19Å; Q36-F40 VanDerWaalsContact O-CB 3.3Å; Q36-F40 WeakPolarHBondContact O-CB 3.5Å; Q36-F40 PolarHBondContact O-N 3.33Å; Q36-I87 HydrophobicContact CB-CB 4.3Å; Q36-I87 HydrophobicContact CB-CD1 4.25Å; Q36-I87 HydrophobicContact CB-CG2 4.5Å; Q36-I87 HydrophobicContact CG-CB 4.46Å; Q36-I87 PolarHBondContact NE2-O 3.48Å; Q36-I87 WeakPolarHBondContact O-CG2 3.49Å
37L97.9Very high95.2Very high1 Ų167.2 Ų67.21%0.00533%0.328CS..Hα-helixtrans-65.5-33.1177.8-70.1172.1000112.5S23 L26 R27 L32 S33 E34 H35 R41S23-L37 PolarHBondContact OG-O 3.39Å; L26-L37 HydrophobicContact CB-CD2 4.11Å; R27-L37 HydrophobicContact CB-CD1 3.69Å; R27-L37 HydrophobicContact CB-CD2 4.33Å; R27-L37 HydrophobicContact CG-CD1 3.74Å; L32-L37 HydrophobicContact CB-CD2 4.02Å; L32-L37 HydrophobicContact CB-CG 3.97Å; L32-L37 HydrophobicContact CD1-CD2 3.75Å; S33-L37 WeakPolarHBondContact O-CG 3.46Å; S33-L37 PolarHBondContact O-N 3.05Å; E34-L37 PolarHBondContact O-N 3.41Å; H35-L37 VanDerWaalsContact C-N 3.32Å; H35-L37 PolarHBondContact O-N 3.41Å; L37-R41 WeakPolarHBondContact O-CB 3.31Å; L37-R41 PolarHBondContact O-N 3.03Å
38H97.9Very high95.3Very high101 Ų10161.3 Ų61.347%0.46831%0.305SS..Hα-helixtrans-66.3-54.8172.6-178-80.6000110.8E34 H35 Q36 F40 R41 D42E34-H38 WeakPolarHBondContact O-CB 3.22Å; E34-H38 PolarHBondContact O-N 3.29Å; H35-H38 WeakPolarHBondContact O-CB 3.31Å; H35-H38 PolarHBondContact O-N 3.02Å; Q36-H38 VanDerWaalsContact C-N 3.28Å; Q36-H38 PolarHBondContact O-N 2.93Å; H38-F40 VanDerWaalsContact C-N 3.29Å; H38-F40 PolarHBondContact O-N 3.25Å; H38-R41 WeakPolarHBondContact O-CB 3.44Å; H38-R41 PolarHBondContact O-N 3.15Å; H38-D42 IonicContact CE1-OD2 2.92Å; H38-D42 PolarHBondContact CE1-OD2 3.42Å; H38-D42 IonicContact ND1-OD2 3.4Å; H38-D42 PolarHBondContact ND1-OD2 3.24Å; H38-D42 IonicContact NE2-OD2 3.79Å; H38-D42 PolarHBondContact O-N 3.03Å
39D98.2Very high95.6Very high64 Ų6456.6 Ų56.634%0.34228%0.277SS..Hα-helixtrans-57.2-41.8179.4-67.3-20.3000112.4H35 Q36 C43 I87H35-D39 IonicContact CE1-OD1 3.91Å; H35-D39 IonicContact CE1-OD2 2.89Å; H35-D39 PolarHBondContact CE1-OD2 3.09Å; H35-D39 IonicContact ND1-OD1 3.62Å; H35-D39 IonicContact ND1-OD2 3.67Å; H35-D39 PolarHBondContact ND1-OD2 2.95Å; H35-D39 VanDerWaalsContact O-CG 3.32Å; H35-D39 PolarHBondContact O-N 3.29Å; Q36-D39 PolarHBondContact O-N 3.19Å; D39-C43 WeakPolarHBondContact O-CB 3.25Å; D39-C43 PolarHBondContact O-N 3.48Å; D39-I87 HydrophobicContact CB-CG2 3.78Å
40F98.4Very high96.3Very high0 Ų055.3 Ų55.30%028%0.277CS..Hα-helixtrans-59.3-47.9174.5170.4-98.6000111.5V22 L26 Q36 H38 C43 L44 A83 A84 I87V22-F40 HydrophobicContact CB-CE1 4.26Å; V22-F40 HydrophobicContact CB-CZ 4.45Å; V22-F40 HydrophobicContact CG1-CE1 3.95Å; V22-F40 HydrophobicContact CG1-CZ 3.76Å; L26-F40 HydrophobicContact CD1-CD1 3.82Å; L26-F40 HydrophobicContact CD1-CD2 4.13Å; L26-F40 HydrophobicContact CD1-CE1 3.6Å; L26-F40 HydrophobicContact CD1-CE2 3.92Å; L26-F40 HydrophobicContact CD1-CG 4.07Å; L26-F40 HydrophobicContact CD1-CZ 3.65Å; Q36-F40 VanDerWaalsContact O-CB 3.3Å; Q36-F40 WeakPolarHBondContact O-CB 3.5Å; Q36-F40 PolarHBondContact O-N 3.33Å; H38-F40 VanDerWaalsContact C-N 3.29Å; H38-F40 PolarHBondContact O-N 3.25Å; F40-C43 PolarHBondContact O-N 3.31Å; F40-L44 HydrophobicContact CE1-CD2 3.86Å; F40-L44 HydrophobicContact CZ-CD2 3.76Å; F40-L44 VanDerWaalsContact O-CB 3.27Å; F40-L44 WeakPolarHBondContact O-CB 3.1Å; F40-L44 PolarHBondContact O-N 3.2Å; F40-A83 HydrophobicContact CD2-CB 4.03Å; F40-A83 HydrophobicContact CE2-CB 3.88Å; F40-A84 HydrophobicContact CD2-CB 4.35Å; F40-A84 HydrophobicContact CE2-CB 4.11Å; F40-I87 HydrophobicContact CB-CD1 3.92Å; F40-I87 HydrophobicContact CB-CG1 4.41Å; F40-I87 HydrophobicContact CB-CG2 4.13Å; F40-I87 HydrophobicContact CD2-CD1 4.45Å; F40-I87 HydrophobicContact CG-CD1 4.45Å
41R98.3Very high97Very high52 Ų5257.2 Ų57.220%0.19628%0.279CS..Hα-helixtrans-65-41.6-177.2-164.5-166-47-110.2-9.3111.2A19 T20 S23 L37 H38 L44 Q45A19-R41 HydrophobicContact CB-CG 3.88Å; T20-R41 VanDerWaalsContact CB-NH1 3.34Å; T20-R41 VanDerWaalsContact CG2-NH1 3.28Å; T20-R41 PolarHBondContact OG1-NH1 3.29Å; S23-R41 PolarHBondContact OG-NH2 3.31Å; L37-R41 WeakPolarHBondContact O-CB 3.31Å; L37-R41 PolarHBondContact O-N 3.03Å; H38-R41 WeakPolarHBondContact O-CB 3.44Å; H38-R41 PolarHBondContact O-N 3.15Å; R41-L44 PolarHBondContact O-N 3.05Å; R41-Q45 WeakPolarHBondContact O-CB 3.46Å; R41-Q45 VanDerWaalsContact O-CG 3.23Å; R41-Q45 WeakPolarHBondContact O-CG 3.46Å; R41-Q45 PolarHBondContact O-N 3.2Å; R41-Q45 PolarHBondContact O-NE2 2.98Å
42D98.1Very high97.5Very high75 Ų7549.7 Ų49.740%0.40125%0.246SC..Hα-helixtrans-65.7-45.8178.1-75.8-1.2000111.3H38 L44 Q45 Q46H38-D42 IonicContact CE1-OD2 2.92Å; H38-D42 PolarHBondContact CE1-OD2 3.42Å; H38-D42 IonicContact ND1-OD2 3.4Å; H38-D42 PolarHBondContact ND1-OD2 3.24Å; H38-D42 IonicContact NE2-OD2 3.79Å; H38-D42 PolarHBondContact O-N 3.03Å; D42-L44 VanDerWaalsContact C-N 3.32Å; D42-L44 PolarHBondContact O-N 2.7Å; D42-Q45 PolarHBondContact O-N 2.85Å; D42-Q46 WeakPolarHBondContact O-CB 3.17Å; D42-Q46 PolarHBondContact O-N 2.89Å
43C98.3Very high97.5Very high21 Ų2152.9 Ų52.914%0.14226%0.26CS..Hα-helixtrans-62.8-40.4177.3-173.20000112D39 F40 S47 A83D39-C43 WeakPolarHBondContact O-CB 3.25Å; D39-C43 PolarHBondContact O-N 3.48Å; F40-C43 PolarHBondContact O-N 3.31Å; C43-S47 WeakPolarHBondContact O-CB 3.27Å; C43-S47 PolarHBondContact O-N 3.13Å; C43-S47 PolarHBondContact O-OG 3.44Å; C43-A83 HydrophobicContact CB-CB 4.24Å
44L98.6Very high97.4Very high0 Ų056.3 Ų56.30%027%0.274CS..Hα-helixtrans-66.6-47.2177.5-178.354.7000111.4A19 V22 F40 R41 D42 Q46 S47 L48 I79 I80 A83A19-L44 HydrophobicContact CB-CB 4.25Å; A19-L44 HydrophobicContact CB-CD2 3.96Å; A19-L44 HydrophobicContact CB-CG 4.01Å; V22-L44 HydrophobicContact CB-CD2 4.21Å; V22-L44 HydrophobicContact CG2-CD2 4.46Å; F40-L44 HydrophobicContact CE1-CD2 3.86Å; F40-L44 HydrophobicContact CZ-CD2 3.76Å; F40-L44 VanDerWaalsContact O-CB 3.27Å; F40-L44 WeakPolarHBondContact O-CB 3.1Å; F40-L44 PolarHBondContact O-N 3.2Å; R41-L44 PolarHBondContact O-N 3.05Å; D42-L44 VanDerWaalsContact C-N 3.32Å; D42-L44 PolarHBondContact O-N 2.7Å; L44-Q46 VanDerWaalsContact C-N 3.3Å; L44-Q46 PolarHBondContact O-N 2.78Å; L44-S47 PolarHBondContact O-N 2.83Å; L44-L48 HydrophobicContact CD1-CD1 3.87Å; L44-L48 HydrophobicContact CD1-CD2 4.18Å; L44-L48 HydrophobicContact CD1-CG 3.8Å; L44-L48 HydrophobicContact CG-CD1 3.92Å; L44-L48 HydrophobicContact CG-CG 4.29Å; L44-L48 VanDerWaalsContact O-CG 3.28Å; L44-L48 WeakPolarHBondContact O-CG 3.38Å; L44-L48 PolarHBondContact O-N 3.38Å; L44-I79 HydrophobicContact CD1-CG2 3.77Å; L44-I80 HydrophobicContact CD1-CD1 3.69Å; L44-I80 HydrophobicContact CD2-CD1 3.67Å; L44-I80 HydrophobicContact CG-CD1 4.37Å; L44-A83 HydrophobicContact CB-CB 3.97Å; L44-A83 HydrophobicContact CD1-CB 4.41Å
45Q98.4Very high97.5Very high44 Ų4453.7 Ų53.721%0.20626%0.262CS..Hα-helixtrans-56.5-45.3176.8-75.9174.975.400111.9V15 T16 A19 R41 D42 S49V15-Q45 HydrophobicContact CG1-CB 3.96Å; V15-Q45 HydrophobicContact CG1-CG 4.04Å; V15-Q45 WeakPolarHBondContact CG1-O 3.43Å; T16-Q45 PolarHBondContact OG1-OE1 3.28Å; A19-Q45 HydrophobicContact CB-CG 3.57Å; R41-Q45 WeakPolarHBondContact O-CB 3.46Å; R41-Q45 VanDerWaalsContact O-CG 3.23Å; R41-Q45 WeakPolarHBondContact O-CG 3.46Å; R41-Q45 PolarHBondContact O-N 3.2Å; R41-Q45 PolarHBondContact O-NE2 2.98Å; D42-Q45 PolarHBondContact O-N 2.85Å; Q45-S49 WeakPolarHBondContact O-CB 3.45Å; Q45-S49 PolarHBondContact O-N 3.41Å; Q45-S49 PolarHBondContact O-OG 2.95Å
46Q97.5Very high97.6Very high96 Ų9648.4 Ų48.445%0.44924%0.237SC..Hα-helixtrans-61.2-50176.9179.5175.5-3.500111.4D42 L44 L48 S49 E50D42-Q46 WeakPolarHBondContact O-CB 3.17Å; D42-Q46 PolarHBondContact O-N 2.89Å; L44-Q46 VanDerWaalsContact C-N 3.3Å; L44-Q46 PolarHBondContact O-N 2.78Å; Q46-L48 PolarHBondContact O-N 2.96Å; Q46-S49 PolarHBondContact O-N 3.42Å; Q46-E50 HydrophobicContact CG-CG 4.5Å; Q46-E50 VanDerWaalsContact CG-OE1 3.24Å; Q46-E50 WeakPolarHBondContact CG-OE1 3.4Å; Q46-E50 PolarHBondContact NE2-OE1 3.05Å; Q46-E50 WeakPolarHBondContact O-CG 3.37Å; Q46-E50 PolarHBondContact O-N 2.87Å
47S98.1Very high97.5Very high15 Ų1548.5 Ų48.511%0.10524%0.236CC..Hα-helixtrans-63.9-39.5-175.8-56.80000112.3C43 L44 H51C43-S47 WeakPolarHBondContact O-CB 3.27Å; C43-S47 PolarHBondContact O-N 3.13Å; C43-S47 PolarHBondContact O-OG 3.44Å; L44-S47 PolarHBondContact O-N 2.83Å; S47-H51 VanDerWaalsContact O-CB 3.29Å; S47-H51 WeakPolarHBondContact O-CB 3.36Å; S47-H51 PolarHBondContact O-N 3.35Å
48L98.3Very high97.3Very high0 Ų050.1 Ų50.10%025%0.247CC..Hα-helixtrans-66.5-44.8175.1-65175.8000111.4V15 L44 Q46 E50 H51 Y52 I70 I79V15-L48 HydrophobicContact CG1-CB 4Å; V15-L48 HydrophobicContact CG1-CD1 4.31Å; V15-L48 HydrophobicContact CG2-CB 4.32Å; L44-L48 HydrophobicContact CD1-CD1 3.87Å; L44-L48 HydrophobicContact CD1-CD2 4.18Å; L44-L48 HydrophobicContact CD1-CG 3.8Å; L44-L48 HydrophobicContact CG-CD1 3.92Å; L44-L48 HydrophobicContact CG-CG 4.29Å; L44-L48 VanDerWaalsContact O-CG 3.28Å; L44-L48 WeakPolarHBondContact O-CG 3.38Å; L44-L48 PolarHBondContact O-N 3.38Å; Q46-L48 PolarHBondContact O-N 2.96Å; L48-E50 VanDerWaalsContact C-N 3.31Å; L48-E50 PolarHBondContact O-N 2.93Å; L48-H51 PolarHBondContact O-N 3.15Å; L48-H51 VanDerWaalsContact O-N 3.15Å; L48-Y52 HydrophobicContact CB-CE2 4.11Å; L48-Y52 HydrophobicContact CD2-CE1 4.27Å; L48-Y52 WeakPolarHBondContact CD2-OH 3.29Å; L48-Y52 WeakPolarHBondContact O-CB 3.25Å; L48-Y52 WeakPolarHBondContact O-CD1 3.39Å; L48-Y52 PolarHBondContact O-N 2.95Å; L48-I70 HydrophobicContact CD1-CD1 3.99Å; L48-I70 HydrophobicContact CD2-CD1 3.67Å; L48-I70 HydrophobicContact CD2-CG1 4.15Å; L48-I70 HydrophobicContact CG-CD1 4.49Å; L48-I79 HydrophobicContact CD2-CB 4.49Å; L48-I79 HydrophobicContact CD2-CD1 4.06Å; L48-I79 HydrophobicContact CD2-CG2 3.83Å; L48-I79 HydrophobicContact CG-CG2 4.33Å
49S97.3Very high97.1Very high15 Ų1552.7 Ų52.711%0.10526%0.264CS..Hα-helixtrans-59.2-43.3178.8-58.70000112Q45 Q46 Q53Q45-S49 WeakPolarHBondContact O-CB 3.45Å; Q45-S49 PolarHBondContact O-N 3.41Å; Q45-S49 PolarHBondContact O-OG 2.95Å; Q46-S49 PolarHBondContact O-N 3.42Å; S49-Q53 PolarHBondContact O-N 3.49Å
50E96.8Very high97Very high114 Ų11458 Ų5853%0.53328%0.279SS..Hα-helixtrans-64.7-43.8175.4-71.7171.9-170.800111.2Q46 L48 Y52Q46-E50 HydrophobicContact CG-CG 4.5Å; Q46-E50 VanDerWaalsContact CG-OE1 3.24Å; Q46-E50 WeakPolarHBondContact CG-OE1 3.4Å; Q46-E50 PolarHBondContact NE2-OE1 3.05Å; Q46-E50 WeakPolarHBondContact O-CG 3.37Å; Q46-E50 PolarHBondContact O-N 2.87Å; L48-E50 VanDerWaalsContact C-N 3.31Å; L48-E50 PolarHBondContact O-N 2.93Å; E50-Y52 VanDerWaalsContact C-N 3.35Å; E50-Y52 PolarHBondContact O-N 3.12Å
51H97.8Very high96.8Very high67 Ų6759.7 Ų59.731%0.3129%0.29SS..Hα-helixtrans-65.2-37.1-179.1-171.164.8000112.9S47 L48 Y67 I79S47-H51 VanDerWaalsContact O-CB 3.29Å; S47-H51 WeakPolarHBondContact O-CB 3.36Å; S47-H51 PolarHBondContact O-N 3.35Å; L48-H51 PolarHBondContact O-N 3.15Å; L48-H51 VanDerWaalsContact O-N 3.15Å; H51-Y67 AromaticContact CD2-CE1 3.69Å; H51-Y67 AromaticContact CE1-CE1 3.78Å; H51-Y67 AromaticContact CE1-CZ 3.36Å; H51-Y67 PolarHBondContact CE1-OH 3.41Å; H51-Y67 AromaticContact ND1-CZ 3.97Å; H51-Y67 PolarHBondContact ND1-OH 2.93Å; H51-Y67 AromaticContact NE2-CE1 3.36Å; H51-Y67 WeakPolarHBondContact NE2-CE1 3.34Å; H51-Y67 AromaticContact NE2-CZ 3.41Å; H51-Y67 WeakPolarHBondContact O-CE1 3.3Å; H51-Y67 PolarHBondContact O-OH 3.23Å; H51-I79 HydrophobicContact CB-CD1 3.87Å
52Y98Very high96.7Very high1 Ų163.6 Ų63.60%0.00431%0.311CS..Hα-helixtrans-87.3-10.2-174.6-61.4-8.8000114.1M11 V15 L48 E50 N54 H55 W56 R68 V106M11-Y52 HydrophobicContact SD-CD2 4.25Å; V15-Y52 HydrophobicContact CG2-CD2 4.12Å; V15-Y52 HydrophobicContact CG2-CE2 4.17Å; L48-Y52 HydrophobicContact CB-CE2 4.11Å; L48-Y52 HydrophobicContact CD2-CE1 4.27Å; L48-Y52 WeakPolarHBondContact CD2-OH 3.29Å; L48-Y52 WeakPolarHBondContact O-CB 3.25Å; L48-Y52 WeakPolarHBondContact O-CD1 3.39Å; L48-Y52 PolarHBondContact O-N 2.95Å; E50-Y52 VanDerWaalsContact C-N 3.35Å; E50-Y52 PolarHBondContact O-N 3.12Å; Y52-N54 PolarHBondContact O-N 2.99Å; Y52-H55 CarbonylContact O-C 3.34Å; Y52-H55 WeakPolarHBondContact O-CA 3.35Å; Y52-H55 PolarHBondContact O-N 3.25Å; Y52-W56 HydrophobicContact CD2-CE3 4.18Å; Y52-W56 HydrophobicContact CD2-CZ3 4Å; Y52-W56 HydrophobicContact CE2-CZ3 4.48Å; Y52-W56 PolarHBondContact O-N 3.45Å; Y52-R68 HydrophobicContact CD1-CB 3.95Å; Y52-R68 HydrophobicContact CD1-CG 3.59Å; Y52-R68 HydrophobicContact CD2-CG 4.4Å; Y52-R68 HydrophobicContact CE1-CB 3.58Å; Y52-R68 HydrophobicContact CE1-CG 3.8Å; Y52-R68 HydrophobicContact CE2-CB 4.32Å; Y52-R68 HydrophobicContact CG-CB 4.49Å; Y52-R68 HydrophobicContact CG-CG 3.93Å; Y52-R68 PolarHBondContact OH-O 3.2Å; Y52-V106 HydrophobicContact CE2-CB 3.84Å; Y52-V106 HydrophobicContact CE2-CG1 3.8Å; Y52-V106 HydrophobicContact CE2-CG2 4.5Å
53Q93.6Very high96.7Very high85 Ų8564.9 Ų64.940%0.39731%0.313SS..THydrogen-bonded Turntrans-47.7-41.5-170.1-179.6171.952.600114.6S49S49-Q53 PolarHBondContact O-N 3.49Å
54N94.9Very high96.7Very high126 Ų12665.1 Ų65.167%0.67432%0.318SS*.THydrogen-bonded Turntrans-1026.9-179.1-60.6-47.7000113.7Y52Y52-N54 PolarHBondContact O-N 2.99Å
55H97.3Very high96.7Very high62 Ų6265.6 Ų65.629%0.28732%0.322SS..SBendtrans-128.927.1-176.4-62.392.3000111.2Y52 Y67 R68Y52-H55 CarbonylContact O-C 3.34Å; Y52-H55 WeakPolarHBondContact O-CA 3.35Å; Y52-H55 PolarHBondContact O-N 3.25Å; H55-Y67 HydrophobicContact CB-CD1 3.61Å; H55-Y67 HydrophobicContact CB-CE1 3.77Å; H55-Y67 HydrophobicContact CB-CG 4.47Å; H55-Y67 AromaticContact CD2-CD1 3.95Å; H55-Y67 AromaticContact CE1-CE1 3.83Å; H55-Y67 AromaticContact CE1-CE2 3.78Å; H55-Y67 AromaticContact CE1-CZ 3.5Å; H55-Y67 VanDerWaalsContact CE1-CZ 3.5Å; H55-Y67 AromaticContact CG-CD1 3.52Å; H55-Y67 AromaticContact CG-CE1 3.45Å; H55-Y67 VanDerWaalsContact CG-CE1 3.45Å; H55-Y67 AromaticContact CG-CZ 3.95Å; H55-Y67 AromaticContact ND1-CD1 3.82Å; H55-Y67 AromaticContact ND1-CE1 3.25Å; H55-Y67 WeakPolarHBondContact ND1-CE1 3.44Å; H55-Y67 AromaticContact ND1-CZ 3.37Å; H55-R68 WeakPolarHBondContact O-CD 3.22Å; H55-R68 PolarHBondContact O-NH1 3.35Å
56W97.6Very high96.7Very high19 Ų1966.6 Ų66.67%0.07234%0.344CS..  trans-110.1119.1176-161.5-107.3000109.6M11 E14 Y52 R68 V106 D107 P108M11-W56 HydrophobicContact CB-CD2 3.72Å; M11-W56 HydrophobicContact CB-CE3 4.1Å; M11-W56 HydrophobicContact CB-CG 4.31Å; M11-W56 HydrophobicContact CB-CH2 3.9Å; M11-W56 HydrophobicContact CB-CZ2 3.45Å; M11-W56 VanDerWaalsContact CB-CZ2 3.45Å; M11-W56 HydrophobicContact CB-CZ3 4.19Å; M11-W56 HydrophobicContact CE-CB 3.75Å; M11-W56 HydrophobicContact CE-CD2 4.07Å; M11-W56 HydrophobicContact CE-CE3 4.42Å; M11-W56 HydrophobicContact CE-CG 3.77Å; E14-W56 HydrophobicContact CB-CH2 3.9Å; E14-W56 HydrophobicContact CB-CZ2 4.32Å; E14-W56 HydrophobicContact CG-CH2 4.03Å; E14-W56 HydrophobicContact CG-CZ2 4.13Å; Y52-W56 HydrophobicContact CD2-CE3 4.18Å; Y52-W56 HydrophobicContact CD2-CZ3 4Å; Y52-W56 HydrophobicContact CE2-CZ3 4.48Å; Y52-W56 PolarHBondContact O-N 3.45Å; W56-R68 VanDerWaalsContact CE3-CD 3.47Å; W56-V106 HydrophobicContact CH2-CG1 4.42Å; W56-V106 HydrophobicContact CZ3-CG1 4.46Å; W56-V106 WeakPolarHBondContact CZ3-O 3.32Å; W56-D107 VanDerWaalsContact CH2-C 3.46Å; W56-P108 HydrophobicContact CD2-CG 3.91Å; W56-P108 HydrophobicContact CE3-CG 4.36Å; W56-P108 HydrophobicContact CG-CG 4.4Å; W56-P108 HydrophobicContact CH2-CG 4.23Å; W56-P108 VanDerWaalsContact CZ2-CA 3.44Å; W56-P108 HydrophobicContact CZ2-CB 3.96Å; W56-P108 HydrophobicContact CZ2-CG 3.79Å
57F95.7Very high96.7Very high61 Ų6166.7 Ų66.727%0.26834%0.341SS..  trans-132.883.6-175-53.8-79.8000110.6D59 R60 K63F57-D59 VanDerWaalsContact C-N 3.25Å; F57-D59 PolarHBondContact O-N 3.28Å; F57-R60 CarbonylContact O-C 2.96Å; F57-R60 WeakPolarHBondContact O-CA 3.44Å; F57-R60 PolarHBondContact O-N 3.11Å; F57-R60 VanDerWaalsContact O-O 3.12Å; F57-K63 HydrophobicContact CB-CB 4.39Å; F57-K63 HydrophobicContact CD1-CD 4.17Å; F57-K63 HydrophobicContact CD2-CB 3.93Å; F57-K63 HydrophobicContact CD2-CD 3.74Å; F57-K63 HydrophobicContact CD2-CG 3.76Å; F57-K63 WeakPolarHBondContact CD2-O 3.49Å; F57-K63 HydrophobicContact CE1-CD 4.33Å; F57-K63 HydrophobicContact CE2-CD 3.9Å; F57-K63 HydrophobicContact CE2-CG 3.97Å; F57-K63 HydrophobicContact CG-CB 4.35Å; F57-K63 HydrophobicContact CG-CD 3.88Å; F57-K63 HydrophobicContact CG-CG 4.32Å; F57-K63 HydrophobicContact CZ-CD 4.21Å
58P94.7Very high96.7Very high34 Ų3466 Ų6622%0.22134%0.336CS..THydrogen-bonded Turntrans-55.1-36.7-179.7-27.936.5000114.1R60 P61 P108 F109P58-R60 PolarHBondContact O-N 2.82Å; P58-P61 WeakPolarHBondContact O-CD 3.31Å; P58-P61 WeakPolarHBondContact O-CG 3.25Å; P58-P108 HydrophobicContact CB-CB 4.38Å; P58-F109 HydrophobicContact CB-CE2 4.06Å; P58-F109 HydrophobicContact CB-CZ 3.86Å; P58-F109 WeakPolarHBondContact O-CE2 3.38Å
59D93.7Very high96.7Very high156 Ų15667.3 Ų67.383%0.83435%0.345SS*.THydrogen-bonded Turntrans-68.8-18.4177.2-60.1-32.2000113.7F57F57-D59 VanDerWaalsContact C-N 3.25Å; F57-D59 PolarHBondContact O-N 3.28Å
60R95.1Very high96.8Very high174 Ų17466.7 Ų66.766%0.65734%0.34SS*.SBendtrans-141.971.7178.8-59.2-176.3-165.1169.56.1109.1F57 P58 Q62 K63F57-R60 CarbonylContact O-C 2.96Å; F57-R60 WeakPolarHBondContact O-CA 3.44Å; F57-R60 PolarHBondContact O-N 3.11Å; F57-R60 VanDerWaalsContact O-O 3.12Å; P58-R60 PolarHBondContact O-N 2.82Å; R60-Q62 PolarHBondContact O-N 2.99Å; R60-K63 HydrophobicContact CB-CB 4Å; R60-K63 VanDerWaalsContact O-CB 3.25Å; R60-K63 WeakPolarHBondContact O-CB 3.37Å; R60-K63 PolarHBondContact O-N 3.44Å
61P95.9Very high96.8Very high36 Ų3668.2 Ų68.223%0.23434%0.341CS..THydrogen-bonded Turntrans-53.8-37.4-169.1-29.436.6000113.8P58 K63 R68 P108 F109P58-P61 WeakPolarHBondContact O-CD 3.31Å; P58-P61 WeakPolarHBondContact O-CG 3.25Å; P61-K63 VanDerWaalsContact C-N 3.26Å; P61-K63 PolarHBondContact O-N 2.83Å; P61-R68 PolarHBondContact O-NH2 3.15Å; P61-P108 HydrophobicContact CB-CB 4.09Å; P61-P108 HydrophobicContact CB-CG 4.23Å; P61-P108 HydrophobicContact CG-CB 4.26Å; P61-F109 HydrophobicContact CG-CD2 4.12Å; P61-F109 HydrophobicContact CG-CE2 4.4Å
62Q95.8Very high96.6Very high135 Ų13565.2 Ų65.263%0.63133%0.327SS*.THydrogen-bonded Turntrans-68.3-20.7179.7-59.9-58.2-37.700113.9R60 G64 S65R60-Q62 PolarHBondContact O-N 2.99Å; Q62-G64 PolarHBondContact O-N 2.81Å; Q62-S65 WeakPolarHBondContact O-CB 3.27Å; Q62-S65 PolarHBondContact O-N 3.19Å
63K97.6Very high96.1Very high102 Ų10267.5 Ų67.544%0.44334%0.34SS..THydrogen-bonded Turntrans-67.2120.9177.5-174.4-176.7174.2-164.30108.9F57 R60 P61 S65 R68F57-K63 HydrophobicContact CB-CB 4.39Å; F57-K63 HydrophobicContact CD1-CD 4.17Å; F57-K63 HydrophobicContact CD2-CB 3.93Å; F57-K63 HydrophobicContact CD2-CD 3.74Å; F57-K63 HydrophobicContact CD2-CG 3.76Å; F57-K63 WeakPolarHBondContact CD2-O 3.49Å; F57-K63 HydrophobicContact CE1-CD 4.33Å; F57-K63 HydrophobicContact CE2-CD 3.9Å; F57-K63 HydrophobicContact CE2-CG 3.97Å; F57-K63 HydrophobicContact CG-CB 4.35Å; F57-K63 HydrophobicContact CG-CD 3.88Å; F57-K63 HydrophobicContact CG-CG 4.32Å; F57-K63 HydrophobicContact CZ-CD 4.21Å; R60-K63 HydrophobicContact CB-CB 4Å; R60-K63 VanDerWaalsContact O-CB 3.25Å; R60-K63 WeakPolarHBondContact O-CB 3.37Å; R60-K63 PolarHBondContact O-N 3.44Å; P61-K63 VanDerWaalsContact C-N 3.26Å; P61-K63 PolarHBondContact O-N 2.83Å; K63-S65 VanDerWaalsContact C-N 3.31Å; K63-R68 PolarHBondContact O-NH1 3.22Å
64G97.9Very high95.7Very high25 Ų2570.9 Ų70.926%0.25836%0.355SS..THydrogen-bonded Turntrans805.5-179.200000114.9Q62 G66 Y67 R68Q62-G64 PolarHBondContact O-N 2.81Å; G64-G66 VanDerWaalsContact C-N 3.3Å; G64-G66 PolarHBondContact O-N 2.65Å; G64-Y67 WeakPolarHBondContact O-CB 3.47Å; G64-Y67 PolarHBondContact O-N 2.98Å; G64-R68 PolarHBondContact O-N 2.79Å
65S98.4Very high95.6Very high11 Ų1171.9 Ų71.98%0.07736%0.356CS..Hα-helixtrans-54.9-44.1178.3176.80000112.1Q62 K63 Y67 R68 C69 D107Q62-S65 WeakPolarHBondContact O-CB 3.27Å; Q62-S65 PolarHBondContact O-N 3.19Å; K63-S65 VanDerWaalsContact C-N 3.31Å; S65-Y67 VanDerWaalsContact C-N 3.29Å; S65-Y67 PolarHBondContact O-N 3.02Å; S65-R68 CarbonylContact O-C 3.55Å; S65-R68 PolarHBondContact O-N 2.99Å; S65-R68 VanDerWaalsContact O-N 3.15Å; S65-C69 WeakPolarHBondContact O-CB 3.38Å; S65-C69 PolarHBondContact O-N 3.01Å; S65-D107 WeakPolarHBondContact CA-OD1 3.48Å; S65-D107 VanDerWaalsContact CB-OD1 3.25Å; S65-D107 WeakPolarHBondContact CB-OD1 3.43Å; S65-D107 VanDerWaalsContact CB-OD2 3.31Å; S65-D107 WeakPolarHBondContact CB-OD2 3.46Å; S65-D107 VanDerWaalsContact OG-CG 3.27Å; S65-D107 PolarHBondContact OG-OD1 2.89Å; S65-D107 VanDerWaalsContact OG-OD1 3.05Å; S65-D107 PolarHBondContact OG-OD2 3.37Å
66G98.3Very high95.5Very high65 Ų6570.3 Ų70.367%0.6735%0.349SS*.Hα-helixtrans-62.8-29.7175.200000114.9G64 C69G64-G66 VanDerWaalsContact C-N 3.3Å; G64-G66 PolarHBondContact O-N 2.65Å; G66-C69 WeakPolarHBondContact O-CB 3.36Å
67Y98.4Very high95.5Very high98 Ų9870.2 Ų70.238%0.38435%0.35SS..Hα-helixtrans-74.1-38.1174.6171.8-84000111.3H51 H55 G64 S65 C69H51-Y67 AromaticContact CD2-CE1 3.69Å; H51-Y67 AromaticContact CE1-CE1 3.78Å; H51-Y67 AromaticContact CE1-CZ 3.36Å; H51-Y67 PolarHBondContact CE1-OH 3.41Å; H51-Y67 AromaticContact ND1-CZ 3.97Å; H51-Y67 PolarHBondContact ND1-OH 2.93Å; H51-Y67 AromaticContact NE2-CE1 3.36Å; H51-Y67 WeakPolarHBondContact NE2-CE1 3.34Å; H51-Y67 AromaticContact NE2-CZ 3.41Å; H51-Y67 WeakPolarHBondContact O-CE1 3.3Å; H51-Y67 PolarHBondContact O-OH 3.23Å; H55-Y67 HydrophobicContact CB-CD1 3.61Å; H55-Y67 HydrophobicContact CB-CE1 3.77Å; H55-Y67 HydrophobicContact CB-CG 4.47Å; H55-Y67 AromaticContact CD2-CD1 3.95Å; H55-Y67 AromaticContact CE1-CE1 3.83Å; H55-Y67 AromaticContact CE1-CE2 3.78Å; H55-Y67 AromaticContact CE1-CZ 3.5Å; H55-Y67 VanDerWaalsContact CE1-CZ 3.5Å; H55-Y67 AromaticContact CG-CD1 3.52Å; H55-Y67 AromaticContact CG-CE1 3.45Å; H55-Y67 VanDerWaalsContact CG-CE1 3.45Å; H55-Y67 AromaticContact CG-CZ 3.95Å; H55-Y67 AromaticContact ND1-CD1 3.82Å; H55-Y67 AromaticContact ND1-CE1 3.25Å; H55-Y67 WeakPolarHBondContact ND1-CE1 3.44Å; H55-Y67 AromaticContact ND1-CZ 3.37Å; G64-Y67 WeakPolarHBondContact O-CB 3.47Å; G64-Y67 PolarHBondContact O-N 2.98Å; S65-Y67 VanDerWaalsContact C-N 3.29Å; S65-Y67 PolarHBondContact O-N 3.02Å; Y67-C69 VanDerWaalsContact C-N 3.31Å
68R98.6Very high95.5Very high1 Ų171.8 Ų71.80%0.00437%0.366CS..Hα-helixtrans-80.6-12.7178-60.3-170.1-58.9-88.6-3.8113.3Y52 H55 W56 P61 K63 G64 S65 I70 V106 D107Y52-R68 HydrophobicContact CD1-CB 3.95Å; Y52-R68 HydrophobicContact CD1-CG 3.59Å; Y52-R68 HydrophobicContact CD2-CG 4.4Å; Y52-R68 HydrophobicContact CE1-CB 3.58Å; Y52-R68 HydrophobicContact CE1-CG 3.8Å; Y52-R68 HydrophobicContact CE2-CB 4.32Å; Y52-R68 HydrophobicContact CG-CB 4.49Å; Y52-R68 HydrophobicContact CG-CG 3.93Å; Y52-R68 PolarHBondContact OH-O 3.2Å; H55-R68 WeakPolarHBondContact O-CD 3.22Å; H55-R68 PolarHBondContact O-NH1 3.35Å; W56-R68 VanDerWaalsContact CE3-CD 3.47Å; P61-R68 PolarHBondContact O-NH2 3.15Å; K63-R68 PolarHBondContact O-NH1 3.22Å; G64-R68 PolarHBondContact O-N 2.79Å; S65-R68 CarbonylContact O-C 3.55Å; S65-R68 PolarHBondContact O-N 2.99Å; S65-R68 VanDerWaalsContact O-N 3.15Å; R68-I70 PolarHBondContact O-N 3.29Å; R68-V106 PolarHBondContact NE-O 2.96Å; R68-D107 IonicContact CZ-OD1 2.65Å; R68-D107 IonicContact NE-OD1 2.99Å; R68-D107 IonicContact NH2-OD1 3.55Å; R68-D107 PolarHBondContact NH2-OD1 3.39Å
69C98.3Very high95.7Very high26 Ų2670.9 Ų70.918%0.17636%0.359CS..  trans-60.5125.1-178.9179.80000110.8S65 G66 Y67 T103 L104S65-C69 WeakPolarHBondContact O-CB 3.38Å; S65-C69 PolarHBondContact O-N 3.01Å; G66-C69 WeakPolarHBondContact O-CB 3.36Å; Y67-C69 VanDerWaalsContact C-N 3.31Å; C69-T103 WeakPolarHBondContact SG-CG2 3.42Å; C69-L104 WeakPolarHBondContact CA-O 3.3Å
70I98.3Very high95.9Very high3 Ų363.5 Ų63.52%0.01532%0.32CS..EExtended strand (participates in β ladder)trans-89.5119.5169.5-60.3166.6000106.7L48 R68 D77 I80 L104 V106L48-I70 HydrophobicContact CD1-CD1 3.99Å; L48-I70 HydrophobicContact CD2-CD1 3.67Å; L48-I70 HydrophobicContact CD2-CG1 4.15Å; L48-I70 HydrophobicContact CG-CD1 4.49Å; R68-I70 PolarHBondContact O-N 3.29Å; I70-D77 HydrophobicContact CG2-CB 4Å; I70-I80 HydrophobicContact CG2-CD1 4.16Å; I70-I80 HydrophobicContact CG2-CG1 3.78Å; I70-L104 HydrophobicContact CB-CB 4.23Å; I70-L104 HydrophobicContact CD1-CD2 4.03Å; I70-L104 PolarHBondContact N-O 2.85Å; I70-L104 PolarHBondContact O-N 2.93Å; I70-V106 HydrophobicContact CD1-CG2 4.36Å
71R96.5Very high96Very high145 Ų14556.1 Ų56.155%0.54730%0.298SS..EExtended strand (participates in β ladder)trans-127.8124.7-177.7-171.7175.4178.3-178.1-1110.6L102R71-L102 WeakPolarHBondContact CA-O 3.42Å
72M93.6Very high96Very high4 Ų462.1 Ų62.12%0.0232%0.316CS..EExtended strand (participates in β ladder)trans-118.1127.5169.7-64.2179.1-60.600108.4M76 D77 I80 L98 E101 L102M72-M76 HydrophobicContact CG-SD 4.16Å; M72-M76 HydrophobicContact SD-CE 4.19Å; M72-M76 HydrophobicContact SD-SD 3.63Å; M72-M76 VanDerWaalsContact SD-SD 3.63Å; M72-D77 HydrophobicContact CG-CB 3.99Å; M72-I80 HydrophobicContact SD-CG1 4.41Å; M72-I80 HydrophobicContact SD-CG2 4.18Å; M72-L98 HydrophobicContact CE-CB 4.19Å; M72-L98 HydrophobicContact CE-CD1 3.81Å; M72-L98 HydrophobicContact CE-CG 4.47Å; M72-L98 HydrophobicContact SD-CD1 3.55Å; M72-L98 VanDerWaalsContact SD-CD1 3.55Å; M72-E101 WeakPolarHBondContact O-CA 3.42Å; M72-L102 HydrophobicContact CB-CB 4.46Å; M72-L102 HydrophobicContact CE-CB 3.65Å; M72-L102 HydrophobicContact CE-CD2 3.29Å; M72-L102 HydrophobicContact CE-CG 4Å; M72-L102 PolarHBondContact N-O 3.05Å; M72-L102 PolarHBondContact O-N 3.3Å
73N88.7Confident96.1Very high49 Ų4955.7 Ų55.726%0.26229%0.286SS..SBendtrans-136.9-127.2173.360.62.6000107.8E75 F95 R100N73-E75 PolarHBondContact N-O 2.86Å; N73-E75 PolarHBondContact O-N 2.65Å; N73-E75 PolarHBondContact OD1-N 2.76Å; N73-F95 WeakPolarHBondContact O-CE1 3.23Å; N73-R100 CarbonylContact C-O 3.47Å; N73-R100 VanDerWaalsContact CA-O 3.25Å; N73-R100 WeakPolarHBondContact CA-O 3.44Å
74H85.3Confident96Very high157 Ų15750.9 Ų50.973%0.72727%0.265SS*.SBendtrans-64.2-12.2166-54.998.9000113.5
75E92.4Very high96Very high147 Ų14751.7 Ų51.769%0.68727%0.273SS*.SBendtrans-118.3144.3176.4-62-174162.700111.1N73N73-E75 PolarHBondContact N-O 2.86Å; N73-E75 PolarHBondContact O-N 2.65Å; N73-E75 PolarHBondContact OD1-N 2.76Å
76M95Very high95.9Very high29 Ų2960.7 Ų60.714%0.14331%0.306CS..  trans-82.1133.1176.7-177.655.452.700109.2M72 I80 L94 F95M72-M76 HydrophobicContact CG-SD 4.16Å; M72-M76 HydrophobicContact SD-CE 4.19Å; M72-M76 HydrophobicContact SD-SD 3.63Å; M72-M76 VanDerWaalsContact SD-SD 3.63Å; M76-I80 HydrophobicContact SD-CB 4.23Å; M76-I80 HydrophobicContact SD-CG2 3.87Å; M76-L94 HydrophobicContact CE-CB 3.38Å; M76-L94 HydrophobicContact CE-CD1 3.99Å; M76-L94 HydrophobicContact CE-CG 4.36Å; M76-L94 HydrophobicContact CG-CD1 4.07Å; M76-L94 HydrophobicContact SD-CB 4.18Å; M76-L94 HydrophobicContact SD-CD1 3.75Å; M76-F95 HydrophobicContact CB-CE2 4.39Å; M76-F95 HydrophobicContact CB-CZ 3.97Å; M76-F95 HydrophobicContact CE-CD1 3.87Å; M76-F95 HydrophobicContact CE-CD2 4.45Å; M76-F95 HydrophobicContact CE-CE1 3.84Å; M76-F95 HydrophobicContact CE-CE2 4.44Å; M76-F95 HydrophobicContact CE-CG 4.19Å; M76-F95 HydrophobicContact CE-CZ 4.15Å
77D96.9Very high95.8Very high17 Ų1758.4 Ų58.49%0.09128%0.278CS..  trans-58.6128.5172176.4-84.7000109.6I70 M72 I79 I80 G81I70-D77 HydrophobicContact CG2-CB 4Å; M72-D77 HydrophobicContact CG-CB 3.99Å; D77-I79 VanDerWaalsContact C-N 3.25Å; D77-I79 PolarHBondContact O-N 3.46Å; D77-I79 WeakPolarHBondContact OD1-CA 3.46Å; D77-I79 VanDerWaalsContact OD1-CB 3.29Å; D77-I79 WeakPolarHBondContact OD1-CB 3.24Å; D77-I79 PolarHBondContact OD1-N 2.89Å; D77-I80 HydrophobicContact CB-CB 4.08Å; D77-I80 HydrophobicContact CB-CG1 3.84Å; D77-I80 PolarHBondContact O-N 3.38Å; D77-I80 PolarHBondContact OD1-N 3.42Å; D77-G81 PolarHBondContact O-N 2.91Å
78P96.8Very high95.6Very high93 Ų9356.5 Ų56.560%0.60429%0.288SS*.Hα-helixtrans-66.6-25.8-172.825.1-34.5000113.4R82P78-R82 VanDerWaalsContact O-CB 3.31Å; P78-R82 WeakPolarHBondContact O-CB 3.4Å; P78-R82 PolarHBondContact O-N 2.95Å; P78-R82 VanDerWaalsContact O-N 3.13Å
79I97.9Very high95.5Very high16 Ų1657.1 Ų57.18%0.08229%0.292CS..Hα-helixtrans-76.5-45.1177-58.9177.1000109.5L44 L48 H51 D77 R82 A83L44-I79 HydrophobicContact CD1-CG2 3.77Å; L48-I79 HydrophobicContact CD2-CB 4.49Å; L48-I79 HydrophobicContact CD2-CD1 4.06Å; L48-I79 HydrophobicContact CD2-CG2 3.83Å; L48-I79 HydrophobicContact CG-CG2 4.33Å; H51-I79 HydrophobicContact CB-CD1 3.87Å; D77-I79 VanDerWaalsContact C-N 3.25Å; D77-I79 PolarHBondContact O-N 3.46Å; D77-I79 WeakPolarHBondContact OD1-CA 3.46Å; D77-I79 VanDerWaalsContact OD1-CB 3.29Å; D77-I79 WeakPolarHBondContact OD1-CB 3.24Å; D77-I79 PolarHBondContact OD1-N 2.89Å; I79-R82 PolarHBondContact O-N 3.29Å; I79-A83 PolarHBondContact O-N 3.28Å
80I97.8Very high95.3Very high0 Ų059.4 Ų59.40%031%0.305CS..Hα-helixtrans-58.7-49.5173.3-61.1-57000110.7V22 L44 I70 M72 M76 D77 R82 A83 A84 L94 L98V22-I80 HydrophobicContact CG1-CD1 4.12Å; V22-I80 HydrophobicContact CG2-CD1 4.26Å; L44-I80 HydrophobicContact CD1-CD1 3.69Å; L44-I80 HydrophobicContact CD2-CD1 3.67Å; L44-I80 HydrophobicContact CG-CD1 4.37Å; I70-I80 HydrophobicContact CG2-CD1 4.16Å; I70-I80 HydrophobicContact CG2-CG1 3.78Å; M72-I80 HydrophobicContact SD-CG1 4.41Å; M72-I80 HydrophobicContact SD-CG2 4.18Å; M76-I80 HydrophobicContact SD-CB 4.23Å; M76-I80 HydrophobicContact SD-CG2 3.87Å; D77-I80 HydrophobicContact CB-CB 4.08Å; D77-I80 HydrophobicContact CB-CG1 3.84Å; D77-I80 PolarHBondContact O-N 3.38Å; D77-I80 PolarHBondContact OD1-N 3.42Å; I80-R82 VanDerWaalsContact C-N 3.31Å; I80-R82 PolarHBondContact O-N 2.91Å; I80-A83 PolarHBondContact O-N 2.94Å; I80-A84 VanDerWaalsContact O-CB 3.25Å; I80-A84 WeakPolarHBondContact O-CB 3.39Å; I80-A84 PolarHBondContact O-N 3.42Å; I80-L94 HydrophobicContact CG2-CD1 4.44Å; I80-L98 HydrophobicContact CG2-CD1 4.1Å
81G96.9Very high94.9Very high19 Ų1962.1 Ų62.120%0.19632%0.324CS..Hα-helixtrans-58.5-41.9179.900000112.5D77 G85D77-G81 PolarHBondContact O-N 2.91Å; G81-G85 PolarHBondContact O-N 2.99Å
82R96.9Very high94.7Very high163 Ų16361.4 Ų61.462%0.61533%0.331SS*.Hα-helixtrans-66-44.4177-168.7-171.1-54.2-178.33112.4P78 I79 I80 G85 R86P78-R82 VanDerWaalsContact O-CB 3.31Å; P78-R82 WeakPolarHBondContact O-CB 3.4Å; P78-R82 PolarHBondContact O-N 2.95Å; P78-R82 VanDerWaalsContact O-N 3.13Å; I79-R82 PolarHBondContact O-N 3.29Å; I80-R82 VanDerWaalsContact C-N 3.31Å; I80-R82 PolarHBondContact O-N 2.91Å; R82-G85 PolarHBondContact O-N 2.99Å; R82-R86 PolarHBondContact O-N 2.89Å
83A97.6Very high94.8Very high0 Ų064.9 Ų64.90%035%0.347CS..Hα-helixtrans-65.5-41.2178.700000111.6F40 C43 L44 I79 I80 R86F40-A83 HydrophobicContact CD2-CB 4.03Å; F40-A83 HydrophobicContact CE2-CB 3.88Å; C43-A83 HydrophobicContact CB-CB 4.24Å; L44-A83 HydrophobicContact CB-CB 3.97Å; L44-A83 HydrophobicContact CD1-CB 4.41Å; I79-A83 PolarHBondContact O-N 3.28Å; I80-A83 PolarHBondContact O-N 2.94Å; A83-R86 WeakPolarHBondContact O-CB 3.42Å; A83-R86 PolarHBondContact O-N 3.09Å
84A96.6Very high95Very high0 Ų062.6 Ų62.60%034%0.335CS..Hα-helixtrans-66.2-38.117600000113.1F40 I80 R86 I87 G88 L89 L94F40-A84 HydrophobicContact CD2-CB 4.35Å; F40-A84 HydrophobicContact CE2-CB 4.11Å; I80-A84 VanDerWaalsContact O-CB 3.25Å; I80-A84 WeakPolarHBondContact O-CB 3.39Å; I80-A84 PolarHBondContact O-N 3.42Å; A84-R86 PolarHBondContact O-N 3.37Å; A84-I87 WeakPolarHBondContact O-CG1 3.25Å; A84-I87 PolarHBondContact O-N 3.23Å; A84-G88 PolarHBondContact O-N 3.41Å; A84-L89 HydrophobicContact CB-CB 4.07Å; A84-L89 PolarHBondContact O-N 2.94Å; A84-L89 VanDerWaalsContact O-N 3.14Å; A84-L94 HydrophobicContact CB-CD1 3.51Å; A84-L94 HydrophobicContact CB-CD2 3.64Å; A84-L94 HydrophobicContact CB-CG 3.94Å
85G96.9Very high95.4Very high43 Ų4358.3 Ų58.344%0.44331%0.314SS..Hα-helixtrans-58.2-30.2175.500000113G81 R82 I87 G88G81-G85 PolarHBondContact O-N 2.99Å; R82-G85 PolarHBondContact O-N 2.99Å; G85-I87 PolarHBondContact O-N 2.96Å; G85-G88 PolarHBondContact O-N 3.18Å
86R95.3Very high95.4Very high200 Ų20054.9 Ų54.976%0.75531%0.312SS*.THydrogen-bonded Turntrans-63.8-28.4175.2-69.7-71.5-170.1164.80.5113.7R82 A83 A84R82-R86 PolarHBondContact O-N 2.89Å; A83-R86 WeakPolarHBondContact O-CB 3.42Å; A83-R86 PolarHBondContact O-N 3.09Å; A84-R86 PolarHBondContact O-N 3.37Å
87I96.2Very high95.4Very high16 Ų1654.2 Ų54.28%0.08231%0.308CS..THydrogen-bonded Turntrans-101.112179.565.4155.9000112.5L32 Q36 D39 F40 A84 G85 L89L32-I87 HydrophobicContact CD1-CD1 4.12Å; L32-I87 HydrophobicContact CD2-CD1 4.25Å; Q36-I87 HydrophobicContact CB-CB 4.3Å; Q36-I87 HydrophobicContact CB-CD1 4.25Å; Q36-I87 HydrophobicContact CB-CG2 4.5Å; Q36-I87 HydrophobicContact CG-CB 4.46Å; Q36-I87 PolarHBondContact NE2-O 3.48Å; Q36-I87 WeakPolarHBondContact O-CG2 3.49Å; D39-I87 HydrophobicContact CB-CG2 3.78Å; F40-I87 HydrophobicContact CB-CD1 3.92Å; F40-I87 HydrophobicContact CB-CG1 4.41Å; F40-I87 HydrophobicContact CB-CG2 4.13Å; F40-I87 HydrophobicContact CD2-CD1 4.45Å; F40-I87 HydrophobicContact CG-CD1 4.45Å; A84-I87 WeakPolarHBondContact O-CG1 3.25Å; A84-I87 PolarHBondContact O-N 3.23Å; G85-I87 PolarHBondContact O-N 2.96Å; I87-L89 HydrophobicContact CD1-CD1 3.74Å; I87-L89 HydrophobicContact CD1-CG 4.07Å; I87-L89 HydrophobicContact CG1-CD1 4.24Å; I87-L89 HydrophobicContact CG1-CG 4.14Å
88G95.7Very high95.3Very high59 Ų5953.5 Ų53.561%0.60831%0.305SS*.THydrogen-bonded Turntrans83.315.8175.200000115.2A84 G85A84-G88 PolarHBondContact O-N 3.41Å; G85-G88 PolarHBondContact O-N 3.18Å
89L96.1Very high95.1Very high14 Ų1449.5 Ų49.57%0.07328%0.278CS..  trans-88.9135.2177.4-70.1-178.9000112.2L32 A84 I87 Q93 L94 L97L32-L89 HydrophobicContact CD1-CD1 4.02Å; L32-L89 HydrophobicContact CD2-CD1 4.23Å; L32-L89 HydrophobicContact CD2-CD2 4.14Å; L32-L89 HydrophobicContact CD2-CG 4.38Å; A84-L89 HydrophobicContact CB-CB 4.07Å; A84-L89 PolarHBondContact O-N 2.94Å; A84-L89 VanDerWaalsContact O-N 3.14Å; I87-L89 HydrophobicContact CD1-CD1 3.74Å; I87-L89 HydrophobicContact CD1-CG 4.07Å; I87-L89 HydrophobicContact CG1-CD1 4.24Å; I87-L89 HydrophobicContact CG1-CG 4.14Å; L89-Q93 HydrophobicContact CD2-CB 4.18Å; L89-L94 HydrophobicContact CB-CD2 4.49Å; L89-L94 HydrophobicContact CB-CG 4.48Å; L89-L94 HydrophobicContact CD1-CD2 3.96Å; L89-L97 HydrophobicContact CD1-CD1 4.19Å; L89-L97 HydrophobicContact CD2-CD1 4.26Å
90T93.7Very high94.8Very high73 Ų7358.2 Ų58.245%0.44831%0.31SS..  trans-85.8162.3170.771.20000111.5D92 Q93 L94T90-D92 VanDerWaalsContact C-N 3.27Å; T90-D92 PolarHBondContact O-N 3.38Å; T90-Q93 PolarHBondContact O-N 2.85Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.39Å; T90-Q93 PolarHBondContact OG1-N 3.42Å; T90-L94 WeakPolarHBondContact O-CG 3.28Å; T90-L94 PolarHBondContact O-N 2.94Å
91S90.9Very high94.6Very high60 Ų6060.9 Ų60.942%0.4232%0.323SS..Hα-helixtrans-58.2-38.8174.3-59.90000112.5Q93 L94 F95S91-Q93 PolarHBondContact O-N 2.97Å; S91-L94 WeakPolarHBondContact O-CB 3.29Å; S91-L94 PolarHBondContact O-N 3.01Å; S91-F95 WeakPolarHBondContact O-CD2 3.44Å; S91-F95 PolarHBondContact O-N 3.18Å
92D92.3Very high94.6Very high130 Ų13060 Ų6070%0.69531%0.314SS*.Hα-helixtrans-63.7-41.1178-64.4-21.2000112T90 L94 F95 A96T90-D92 VanDerWaalsContact C-N 3.27Å; T90-D92 PolarHBondContact O-N 3.38Å; D92-L94 VanDerWaalsContact C-N 3.34Å; D92-F95 PolarHBondContact O-N 2.94Å; D92-A96 PolarHBondContact O-N 2.88Å
93Q94.1Very high94.7Very high77 Ų7752.9 Ų52.936%0.3629%0.288SS..Hα-helixtrans-64.1-41.5174.2-71.1172.9-38.800111L89 T90 S91 F95 A96 L97L89-Q93 HydrophobicContact CD2-CB 4.18Å; T90-Q93 PolarHBondContact O-N 2.85Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.39Å; T90-Q93 PolarHBondContact OG1-N 3.42Å; S91-Q93 PolarHBondContact O-N 2.97Å; Q93-F95 PolarHBondContact O-N 3.27Å; Q93-A96 WeakPolarHBondContact O-CB 3.39Å; Q93-A96 PolarHBondContact O-N 3.17Å; Q93-L97 WeakPolarHBondContact O-CB 3.49Å; Q93-L97 WeakPolarHBondContact O-CG 3.37Å; Q93-L97 PolarHBondContact O-N 3.24Å
94L93.9Very high94.8Very high1 Ų152.9 Ų52.91%0.00529%0.288CS..Hα-helixtrans-61.4-41.9175.4-71.1172.4000112.5L26 M76 I80 A84 L89 T90 S91 D92 A96 L97 L98L26-L94 HydrophobicContact CD2-CD2 3.84Å; M76-L94 HydrophobicContact CE-CB 3.38Å; M76-L94 HydrophobicContact CE-CD1 3.99Å; M76-L94 HydrophobicContact CE-CG 4.36Å; M76-L94 HydrophobicContact CG-CD1 4.07Å; M76-L94 HydrophobicContact SD-CB 4.18Å; M76-L94 HydrophobicContact SD-CD1 3.75Å; I80-L94 HydrophobicContact CG2-CD1 4.44Å; A84-L94 HydrophobicContact CB-CD1 3.51Å; A84-L94 HydrophobicContact CB-CD2 3.64Å; A84-L94 HydrophobicContact CB-CG 3.94Å; L89-L94 HydrophobicContact CB-CD2 4.49Å; L89-L94 HydrophobicContact CB-CG 4.48Å; L89-L94 HydrophobicContact CD1-CD2 3.96Å; T90-L94 WeakPolarHBondContact O-CG 3.28Å; T90-L94 PolarHBondContact O-N 2.94Å; S91-L94 WeakPolarHBondContact O-CB 3.29Å; S91-L94 PolarHBondContact O-N 3.01Å; D92-L94 VanDerWaalsContact C-N 3.34Å; L94-A96 PolarHBondContact O-N 2.75Å; L94-L97 PolarHBondContact O-N 2.88Å; L94-L97 VanDerWaalsContact O-N 3.09Å; L94-L98 HydrophobicContact CB-CD1 4.45Å; L94-L98 HydrophobicContact CD2-CD1 4.11Å; L94-L98 WeakPolarHBondContact O-CB 3.47Å; L94-L98 PolarHBondContact O-N 3.15Å
95F93Very high94.9Very high67 Ų6755.2 Ų55.229%0.29430%0.297SS..Hα-helixtrans-63.9-27.5176.2-75.2-57.2000113.3N73 M76 S91 D92 Q93N73-F95 WeakPolarHBondContact O-CE1 3.23Å; M76-F95 HydrophobicContact CB-CE2 4.39Å; M76-F95 HydrophobicContact CB-CZ 3.97Å; M76-F95 HydrophobicContact CE-CD1 3.87Å; M76-F95 HydrophobicContact CE-CD2 4.45Å; M76-F95 HydrophobicContact CE-CE1 3.84Å; M76-F95 HydrophobicContact CE-CE2 4.44Å; M76-F95 HydrophobicContact CE-CG 4.19Å; M76-F95 HydrophobicContact CE-CZ 4.15Å; S91-F95 WeakPolarHBondContact O-CD2 3.44Å; S91-F95 PolarHBondContact O-N 3.18Å; D92-F95 PolarHBondContact O-N 2.94Å; Q93-F95 PolarHBondContact O-N 3.27Å
96A92.8Very high95Very high76 Ų7653.1 Ų53.163%0.62828%0.276SS*.Hα-helixtrans-77.2-32.9172.200000112.6D92 Q93 L94D92-A96 PolarHBondContact O-N 2.88Å; Q93-A96 WeakPolarHBondContact O-CB 3.39Å; Q93-A96 PolarHBondContact O-N 3.17Å; L94-A96 PolarHBondContact O-N 2.75Å
97L94.6Very high95.1Very high14 Ų1443.9 Ų43.97%0.07324%0.241CC..Hα-helixtrans-90.9-25.3-173.6-67173.7000114.3L26 R29 G30 L89 Q93 L94L26-L97 HydrophobicContact CD2-CB 3.89Å; L26-L97 HydrophobicContact CD2-CD1 4.27Å; R29-L97 HydrophobicContact CB-CD2 4.3Å; R29-L97 WeakPolarHBondContact CB-O 3.42Å; R29-L97 VanDerWaalsContact CD-O 3.3Å; R29-L97 WeakPolarHBondContact CD-O 3.33Å; R29-L97 WeakPolarHBondContact O-CD2 3.45Å; G30-L97 VanDerWaalsContact CA-CD2 3.41Å; L89-L97 HydrophobicContact CD1-CD1 4.19Å; L89-L97 HydrophobicContact CD2-CD1 4.26Å; Q93-L97 WeakPolarHBondContact O-CB 3.49Å; Q93-L97 WeakPolarHBondContact O-CG 3.37Å; Q93-L97 PolarHBondContact O-N 3.24Å; L94-L97 PolarHBondContact O-N 2.88Å; L94-L97 VanDerWaalsContact O-N 3.09Å
98L94.9Very high95.2Very high3 Ų343.2 Ų43.22%0.01624%0.238CC..SBendtrans-105.1161.2-177.7-65.5174.5000111.2V22 L25 L26 R29 M72 I80 L94 R100V22-L98 HydrophobicContact CG1-CD2 4.18Å; L25-L98 HydrophobicContact CB-CD2 3.71Å; L25-L98 HydrophobicContact CD1-CD2 4.33Å; L26-L98 HydrophobicContact CD2-CD1 4.18Å; L26-L98 HydrophobicContact CD2-CD2 3.64Å; L26-L98 HydrophobicContact CD2-CG 3.76Å; L26-L98 HydrophobicContact CG-CD2 3.94Å; R29-L98 PolarHBondContact NH1-O 2.93Å; M72-L98 HydrophobicContact CE-CB 4.19Å; M72-L98 HydrophobicContact CE-CD1 3.81Å; M72-L98 HydrophobicContact CE-CG 4.47Å; M72-L98 HydrophobicContact SD-CD1 3.55Å; M72-L98 VanDerWaalsContact SD-CD1 3.55Å; I80-L98 HydrophobicContact CG2-CD1 4.1Å; L94-L98 HydrophobicContact CB-CD1 4.45Å; L94-L98 HydrophobicContact CD2-CD1 4.11Å; L94-L98 WeakPolarHBondContact O-CB 3.47Å; L94-L98 PolarHBondContact O-N 3.15Å; L98-R100 PolarHBondContact O-N 2.94Å
99P93.7Very high95.2Very high8 Ų842.3 Ų42.35%0.05222%0.217CC..  trans-57.5137.2167.3-20.132.1000110.5L25 E101 I115L25-P99 HydrophobicContact CD1-CG 4.16Å; L25-P99 HydrophobicContact CD2-CG 4.48Å; P99-E101 PolarHBondContact O-N 3.06Å; P99-I115 HydrophobicContact CB-CG1 4.42Å; P99-I115 HydrophobicContact CB-CG2 3.82Å; P99-I115 HydrophobicContact CG-CD1 4.04Å; P99-I115 HydrophobicContact CG-CG1 4.23Å; P99-I115 HydrophobicContact CG-CG2 4.31Å
100R90.3Very high95.3Very high199 Ų19944.7 Ų44.775%0.75123%0.228SC*.SBendtrans-58.6-32.7177.2-80.7-170.8161.5-144.7-4.7112.7N73 L98N73-R100 CarbonylContact C-O 3.47Å; N73-R100 VanDerWaalsContact CA-O 3.25Å; N73-R100 WeakPolarHBondContact CA-O 3.44Å; L98-R100 PolarHBondContact O-N 2.94Å
101E95.3Very high95.6Very high57 Ų5741.2 Ų41.227%0.26621%0.207SC..SBendtrans-127.7106179-63.6-178144.300108.1M72 P99 I115 G116 E117M72-E101 WeakPolarHBondContact O-CA 3.42Å; P99-E101 PolarHBondContact O-N 3.06Å; E101-I115 WeakPolarHBondContact O-CA 3.33Å; E101-G116 PolarHBondContact O-N 2.71Å; E101-G116 WeakPolarHBondContact OE2-CA 3.13Å; E101-E117 WeakPolarHBondContact OE1-CG 3.49Å; E101-E117 PolarHBondContact OE2-N 3.02Å
102L96.9Very high95.9Very high0 Ų038.7 Ų38.70%019%0.189CC..EExtended strand (participates in β ladder)trans-128131.1173.217965.8000108.5F21 L25 R71 M72 Y113 I115F21-L102 HydrophobicContact CE1-CD1 4.04Å; F21-L102 HydrophobicContact CE1-CD2 4.32Å; L25-L102 HydrophobicContact CD1-CD2 4.04Å; R71-L102 WeakPolarHBondContact CA-O 3.42Å; M72-L102 HydrophobicContact CB-CB 4.46Å; M72-L102 HydrophobicContact CE-CB 3.65Å; M72-L102 HydrophobicContact CE-CD2 3.29Å; M72-L102 HydrophobicContact CE-CG 4Å; M72-L102 PolarHBondContact N-O 3.05Å; M72-L102 PolarHBondContact O-N 3.3Å; L102-Y113 HydrophobicContact CD1-CD2 4.23Å; L102-I115 HydrophobicContact CD1-CG1 3.75Å
103T98.2Very high96.3Very high13 Ų1334.8 Ų34.88%0.0817%0.165CC..EExtended strand (participates in β ladder)trans-122127.4165.1-490000107.7C69 W105 Y113 R114C69-T103 WeakPolarHBondContact SG-CG2 3.42Å; T103-W105 HydrophobicContact CG2-CD2 4.19Å; T103-W105 HydrophobicContact CG2-CE3 4.37Å; T103-W105 HydrophobicContact CG2-CH2 3.52Å; T103-W105 HydrophobicContact CG2-CZ2 3.3Å; T103-W105 HydrophobicContact CG2-CZ3 4.06Å; T103-Y113 CarbonylContact O-C 3.48Å; T103-Y113 WeakPolarHBondContact O-CA 3.4Å; T103-Y113 WeakPolarHBondContact O-CB 3.28Å; T103-R114 PolarHBondContact N-O 2.73Å; T103-R114 PolarHBondContact O-N 3.25Å
104L98.7Very high96.4Very high0 Ų034.1 Ų34.10%016%0.159CC..EExtended strand (participates in β ladder)trans-130.6117-177.7173.365.4000108.5A18 F21 V22 C69 I70 V106 V111 S112 L124A18-L104 HydrophobicContact CB-CD2 4.03Å; F21-L104 HydrophobicContact CD1-CD1 4.39Å; F21-L104 HydrophobicContact CD1-CD2 4.32Å; V22-L104 HydrophobicContact CG2-CD2 4.05Å; C69-L104 WeakPolarHBondContact CA-O 3.3Å; I70-L104 HydrophobicContact CB-CB 4.23Å; I70-L104 HydrophobicContact CD1-CD2 4.03Å; I70-L104 PolarHBondContact N-O 2.85Å; I70-L104 PolarHBondContact O-N 2.93Å; L104-V106 HydrophobicContact CG-CG2 4.19Å; L104-V111 HydrophobicContact CD1-CG1 3.62Å; L104-S112 WeakPolarHBondContact CD1-O 3.45Å; L104-L124 HydrophobicContact CD1-CD1 3.9Å
105W98.8Very high96.6Very high49 Ų4937.5 Ų37.519%0.18618%0.176CC..EExtended strand (participates in β ladder)trans-95.5128.5175.9-62.4-86.7000109T103 V111 S112 R114 I121T103-W105 HydrophobicContact CG2-CD2 4.19Å; T103-W105 HydrophobicContact CG2-CE3 4.37Å; T103-W105 HydrophobicContact CG2-CH2 3.52Å; T103-W105 HydrophobicContact CG2-CZ2 3.3Å; T103-W105 HydrophobicContact CG2-CZ3 4.06Å; W105-V111 WeakPolarHBondContact O-CA 3.35Å; W105-V111 WeakPolarHBondContact O-CG1 3.42Å; W105-S112 PolarHBondContact N-O 3.23Å; W105-S112 PolarHBondContact O-N 3.36Å; W105-S112 VanDerWaalsContact O-N 3.13Å; W105-R114 HydrophobicContact CH2-CB 4.16Å; W105-R114 HydrophobicContact CZ3-CB 4Å; W105-I121 HydrophobicContact CZ3-CG1 4.45Å
106V98.7Very high96.7Very high0 Ų035.3 Ų35.30%017%0.173CC..EExtended strand (participates in β ladder)trans-121.792.5178.5-168.60000106.6E14 A18 Y52 W56 R68 I70 L104 V111E14-V106 HydrophobicContact CB-CG1 3.87Å; A18-V106 HydrophobicContact CB-CG1 4.34Å; A18-V106 HydrophobicContact CB-CG2 3.63Å; Y52-V106 HydrophobicContact CE2-CB 3.84Å; Y52-V106 HydrophobicContact CE2-CG1 3.8Å; Y52-V106 HydrophobicContact CE2-CG2 4.5Å; W56-V106 HydrophobicContact CH2-CG1 4.42Å; W56-V106 HydrophobicContact CZ3-CG1 4.46Å; W56-V106 WeakPolarHBondContact CZ3-O 3.32Å; R68-V106 PolarHBondContact NE-O 2.96Å; I70-V106 HydrophobicContact CD1-CG2 4.36Å; L104-V106 HydrophobicContact CG-CG2 4.19Å; V106-V111 HydrophobicContact CG1-CG2 4.18Å; V106-V111 HydrophobicContact CG2-CG1 4.46Å
107D98.4Very high96.6Very high5 Ų538.1 Ų38.13%0.02717%0.173CC..EExtended strand (participates in β ladder)trans-118.2153-173-64.4-23.7000109.7E14 W56 S65 R68 F109 E110E14-D107 WeakPolarHBondContact CG-O 3.33Å; W56-D107 VanDerWaalsContact CH2-C 3.46Å; S65-D107 WeakPolarHBondContact CA-OD1 3.48Å; S65-D107 VanDerWaalsContact CB-OD1 3.25Å; S65-D107 WeakPolarHBondContact CB-OD1 3.43Å; S65-D107 VanDerWaalsContact CB-OD2 3.31Å; S65-D107 WeakPolarHBondContact CB-OD2 3.46Å; S65-D107 VanDerWaalsContact OG-CG 3.27Å; S65-D107 PolarHBondContact OG-OD1 2.89Å; S65-D107 VanDerWaalsContact OG-OD1 3.05Å; S65-D107 PolarHBondContact OG-OD2 3.37Å; R68-D107 IonicContact CZ-OD1 2.65Å; R68-D107 IonicContact NE-OD1 2.99Å; R68-D107 IonicContact NH2-OD1 3.55Å; R68-D107 PolarHBondContact NH2-OD1 3.39Å; D107-F109 PolarHBondContact O-N 3.4Å; D107-F109 VanDerWaalsContact O-N 3.14Å; D107-E110 CarbonylContact C-O 3.53Å; D107-E110 PolarHBondContact N-O 3.14Å; D107-E110 CarbonylContact O-C 3.5Å; D107-E110 PolarHBondContact O-N 3.25Å
108P97.8Very high96.5Very high3 Ų345.5 Ų45.52%0.01921%0.213CC..THydrogen-bonded Turntrans-50.3126.9174.3-24.530000111.2W56 P58 P61 E110W56-P108 HydrophobicContact CD2-CG 3.91Å; W56-P108 HydrophobicContact CE3-CG 4.36Å; W56-P108 HydrophobicContact CG-CG 4.4Å; W56-P108 HydrophobicContact CH2-CG 4.23Å; W56-P108 VanDerWaalsContact CZ2-CA 3.44Å; W56-P108 HydrophobicContact CZ2-CB 3.96Å; W56-P108 HydrophobicContact CZ2-CG 3.79Å; P58-P108 HydrophobicContact CB-CB 4.38Å; P61-P108 HydrophobicContact CB-CB 4.09Å; P61-P108 HydrophobicContact CB-CG 4.23Å; P61-P108 HydrophobicContact CG-CB 4.26Å; P108-E110 PolarHBondContact O-N 3.01Å
109F96.9Very high96.6Very high39 Ų3946.5 Ų46.517%0.17122%0.224CC..THydrogen-bonded Turntrans69.7-1-179.8-38.2-63.8000116.5E14 P58 P61 D107 E126 A127 A129 P130E14-F109 PolarHBondContact OE1-N 2.92Å; P58-F109 HydrophobicContact CB-CE2 4.06Å; P58-F109 HydrophobicContact CB-CZ 3.86Å; P58-F109 WeakPolarHBondContact O-CE2 3.38Å; P61-F109 HydrophobicContact CG-CD2 4.12Å; P61-F109 HydrophobicContact CG-CE2 4.4Å; D107-F109 PolarHBondContact O-N 3.4Å; D107-F109 VanDerWaalsContact O-N 3.14Å; F109-E126 CarbonylContact O-C 3.48Å; F109-E126 VanDerWaalsContact O-CA 3.28Å; F109-E126 WeakPolarHBondContact O-CA 3.36Å; F109-A127 HydrophobicContact CB-CB 4.29Å; F109-A127 WeakPolarHBondContact CB-O 3.5Å; F109-A127 HydrophobicContact CD1-CB 4.43Å; F109-A127 PolarHBondContact O-N 3.46Å; F109-A129 HydrophobicContact CD2-CB 3.69Å; F109-A129 HydrophobicContact CE2-CB 3.8Å; F109-A129 HydrophobicContact CG-CB 4.25Å; F109-A129 HydrophobicContact CZ-CB 4.45Å; F109-P130 HydrophobicContact CZ-CG 4.04Å
110E98.1Very high96.7Very high64 Ų6450.9 Ų50.930%0.29926%0.255SS..EExtended strand (participates in β ladder)trans-146.9132.3178.4-165.8-171.4116.500112.4D107 P108 S112 V123 Y125D107-E110 CarbonylContact C-O 3.53Å; D107-E110 PolarHBondContact N-O 3.14Å; D107-E110 CarbonylContact O-C 3.5Å; D107-E110 PolarHBondContact O-N 3.25Å; P108-E110 PolarHBondContact O-N 3.01Å; E110-S112 WeakPolarHBondContact OE1-CB 3.48Å; E110-S112 PolarHBondContact OE1-OG 3.45Å; E110-V123 HydrophobicContact CG-CG1 4.32Å; E110-Y125 CarbonylContact C-O 3.59Å; E110-Y125 WeakPolarHBondContact CA-O 3.5Å
111V98.8Very high97.1Very high0 Ų046.4 Ų46.40%025%0.245CC..EExtended strand (participates in β ladder)trans-120.1121.2164-175.10000108E14 A17 A18 L104 W105 V106 L124 Y125E14-V111 HydrophobicContact CB-CG2 3.69Å; E14-V111 HydrophobicContact CG-CG2 4.11Å; E14-V111 WeakPolarHBondContact O-CG2 3.27Å; A17-V111 HydrophobicContact CB-CG2 4.21Å; A18-V111 HydrophobicContact CB-CG1 4.25Å; L104-V111 HydrophobicContact CD1-CG1 3.62Å; W105-V111 WeakPolarHBondContact O-CA 3.35Å; W105-V111 WeakPolarHBondContact O-CG1 3.42Å; V106-V111 HydrophobicContact CG1-CG2 4.18Å; V106-V111 HydrophobicContact CG2-CG1 4.46Å; V111-L124 HydrophobicContact CB-CB 4.37Å; V111-L124 HydrophobicContact CG1-CB 4.3Å; V111-L124 HydrophobicContact CG1-CD1 4.19Å; V111-L124 WeakPolarHBondContact O-CA 3.25Å; V111-L124 WeakPolarHBondContact O-CB 3.42Å; V111-L124 PolarHBondContact O-N 3.49Å; V111-Y125 HydrophobicContact CG2-CD1 4.21Å; V111-Y125 HydrophobicContact CG2-CG 4.48Å; V111-Y125 PolarHBondContact N-O 2.83Å; V111-Y125 PolarHBondContact O-N 3.4Å; V111-Y125 VanDerWaalsContact O-N 3.17Å
112S98.8Very high97.2Very high7 Ų746.2 Ų46.25%0.04925%0.249CC..EExtended strand (participates in β ladder)trans-134.8156-179.355.10000110.8L104 W105 E110 C122L104-S112 WeakPolarHBondContact CD1-O 3.45Å; W105-S112 PolarHBondContact N-O 3.23Å; W105-S112 PolarHBondContact O-N 3.36Å; W105-S112 VanDerWaalsContact O-N 3.13Å; E110-S112 WeakPolarHBondContact OE1-CB 3.48Å; E110-S112 PolarHBondContact OE1-OG 3.45Å; S112-C122 CarbonylContact C-O 3.52Å; S112-C122 VanDerWaalsContact CA-O 3.22Å; S112-C122 WeakPolarHBondContact CA-O 3.38Å; S112-C122 WeakPolarHBondContact CB-O 3.34Å
113Y98.7Very high97.3Very high48 Ų4849.9 Ų49.919%0.18827%0.272CS..EExtended strand (participates in β ladder)trans-144.6161.6-17675.4-78.3000112.2F21 L102 T103 I115 I121 C122 L124F21-Y113 HydrophobicContact CE1-CD1 4.49Å; F21-Y113 HydrophobicContact CE1-CD2 4.06Å; F21-Y113 HydrophobicContact CE1-CG 4.01Å; F21-Y113 HydrophobicContact CE2-CD1 4.49Å; F21-Y113 HydrophobicContact CE2-CD2 4.46Å; F21-Y113 HydrophobicContact CE2-CE1 4.18Å; F21-Y113 HydrophobicContact CE2-CE2 4.21Å; F21-Y113 HydrophobicContact CZ-CD1 4.15Å; F21-Y113 AromaticContact CZ-CD2 3.59Å; F21-Y113 HydrophobicContact CZ-CD2 3.59Å; F21-Y113 HydrophobicContact CZ-CE1 4.18Å; F21-Y113 AromaticContact CZ-CE2 3.66Å; F21-Y113 HydrophobicContact CZ-CE2 3.66Å; F21-Y113 AromaticContact CZ-CG 3.84Å; F21-Y113 HydrophobicContact CZ-CG 3.84Å; F21-Y113 AromaticContact CZ-CZ 3.95Å; L102-Y113 HydrophobicContact CD1-CD2 4.23Å; T103-Y113 CarbonylContact O-C 3.48Å; T103-Y113 WeakPolarHBondContact O-CA 3.4Å; T103-Y113 WeakPolarHBondContact O-CB 3.28Å; Y113-I115 HydrophobicContact CD2-CD1 4.16Å; Y113-I115 HydrophobicContact CD2-CG1 3.91Å; Y113-I115 HydrophobicContact CE2-CD1 3.77Å; Y113-I115 HydrophobicContact CE2-CG1 3.96Å; Y113-I121 WeakPolarHBondContact O-CA 3.45Å; Y113-C122 HydrophobicContact CD1-CB 3.93Å; Y113-C122 VanDerWaalsContact CD1-O 3.3Å; Y113-C122 WeakPolarHBondContact CD1-O 3.47Å; Y113-C122 HydrophobicContact CE1-CB 3.34Å; Y113-C122 HydrophobicContact CE2-CB 4.32Å; Y113-C122 PolarHBondContact N-O 2.83Å; Y113-C122 PolarHBondContact O-N 2.91Å; Y113-L124 HydrophobicContact CD1-CD1 3.42Å; Y113-L124 VanDerWaalsContact CD1-CD1 3.42Å; Y113-L124 HydrophobicContact CD1-CD2 3.91Å; Y113-L124 HydrophobicContact CD1-CG 3.39Å; Y113-L124 HydrophobicContact CE1-CD1 3.98Å; Y113-L124 HydrophobicContact CE1-CD2 3.55Å; Y113-L124 HydrophobicContact CE1-CG 3.56Å; Y113-L124 HydrophobicContact CG-CD1 4.12Å
114R98.3Very high97.3Very high63 Ų6352.3 Ų52.324%0.23828%0.283CS..EExtended strand (participates in β ladder)trans-134.8134.2170.2-176.4178.864.3-130.3-5.2109.5T103 W105 G116 G119T103-R114 PolarHBondContact N-O 2.73Å; T103-R114 PolarHBondContact O-N 3.25Å; W105-R114 HydrophobicContact CH2-CB 4.16Å; W105-R114 HydrophobicContact CZ3-CB 4Å; R114-G116 WeakPolarHBondContact CD-O 3.48Å; R114-G116 WeakPolarHBondContact CG-O 3.41Å; R114-G116 PolarHBondContact NE-O 3.4Å; R114-G119 WeakPolarHBondContact CD-O 3.49Å; R114-G119 VanDerWaalsContact CG-O 3.27Å; R114-G119 WeakPolarHBondContact CG-O 3.35Å
115I96.6Very high97.3Very high72 Ų7255.2 Ų55.237%0.36930%0.295SS..EExtended strand (participates in β ladder)trans-110.6125.7171.1-66.6171.2000108.6P99 E101 L102 Y113 G119P99-I115 HydrophobicContact CB-CG1 4.42Å; P99-I115 HydrophobicContact CB-CG2 3.82Å; P99-I115 HydrophobicContact CG-CD1 4.04Å; P99-I115 HydrophobicContact CG-CG1 4.23Å; P99-I115 HydrophobicContact CG-CG2 4.31Å; E101-I115 WeakPolarHBondContact O-CA 3.33Å; L102-I115 HydrophobicContact CD1-CG1 3.75Å; Y113-I115 HydrophobicContact CD2-CD1 4.16Å; Y113-I115 HydrophobicContact CD2-CG1 3.91Å; Y113-I115 HydrophobicContact CE2-CD1 3.77Å; Y113-I115 HydrophobicContact CE2-CG1 3.96Å; I115-G119 VanDerWaalsContact O-CA 3.31Å; I115-G119 WeakPolarHBondContact O-CA 3.33Å
116G95.4Very high97.2Very high22 Ų2259.8 Ų59.823%0.22732%0.318CS..SBendtrans84.5154.3-171.500000113.1E101 R114 D118 G119E101-G116 PolarHBondContact O-N 2.71Å; E101-G116 WeakPolarHBondContact OE2-CA 3.13Å; R114-G116 WeakPolarHBondContact CD-O 3.48Å; R114-G116 WeakPolarHBondContact CG-O 3.41Å; R114-G116 PolarHBondContact NE-O 3.4Å; G116-D118 VanDerWaalsContact C-N 3.35Å; G116-G119 PolarHBondContact O-N 2.91Å
117E90.8Very high97Very high134 Ų13461.5 Ų61.563%0.62633%0.332SS*.THydrogen-bonded Turntrans-56.9-45.8172.5-82176.8168.600112.3E101E101-E117 WeakPolarHBondContact OE1-CG 3.49Å; E101-E117 PolarHBondContact OE2-N 3.02Å
118D93.2Very high96.5Very high169 Ų16965.7 Ų65.790%0.90437%0.368SS*.THydrogen-bonded Turntrans-95.415-179.4-60.8-45.8000113.8G116G116-D118 VanDerWaalsContact C-N 3.35Å
119G95.6Very high95.6Very high25 Ų2568.4 Ų68.426%0.25839%0.391SS..PPolyproline II helixtrans-67.8149.9-179.100000113.5R114 I115 G116R114-G119 WeakPolarHBondContact CD-O 3.49Å; R114-G119 VanDerWaalsContact CG-O 3.27Å; R114-G119 WeakPolarHBondContact CG-O 3.35Å; I115-G119 VanDerWaalsContact O-CA 3.31Å; I115-G119 WeakPolarHBondContact O-CA 3.33Å; G116-G119 PolarHBondContact O-N 2.91Å
120S97.5Very high94.5Very high99 Ų9971 Ų7169%0.69241%0.411SS*.PPolyproline II helixtrans-66.7148166.3-59.20000111.1
121I97.9Very high93.1Very high105 Ų10572 Ų7254%0.53843%0.431SS..EExtended strand (participates in β ladder)trans-80128.9169.1-61176.2000108.5W105 Y113W105-I121 HydrophobicContact CZ3-CG1 4.45Å; Y113-I121 WeakPolarHBondContact O-CA 3.45Å
122C98Very high91.3Very high53 Ų5377.9 Ų77.936%0.35847%0.469SS..EExtended strand (participates in β ladder)trans-119.5139.8176.5-68.20000110.1S112 Y113S112-C122 CarbonylContact C-O 3.52Å; S112-C122 VanDerWaalsContact CA-O 3.22Å; S112-C122 WeakPolarHBondContact CA-O 3.38Å; S112-C122 WeakPolarHBondContact CB-O 3.34Å; Y113-C122 HydrophobicContact CD1-CB 3.93Å; Y113-C122 VanDerWaalsContact CD1-O 3.3Å; Y113-C122 WeakPolarHBondContact CD1-O 3.47Å; Y113-C122 HydrophobicContact CE1-CB 3.34Å; Y113-C122 HydrophobicContact CE2-CB 4.32Å; Y113-C122 PolarHBondContact N-O 2.83Å; Y113-C122 PolarHBondContact O-N 2.91Å
123V98.4Very high89.3Confident78 Ų7882.3 Ų82.347%0.47351%0.506SS..EExtended strand (participates in β ladder)trans-91.1127.5176.6-178.80000109.6E110 Y125 E126E110-V123 HydrophobicContact CG-CG1 4.32Å; V123-Y125 WeakPolarHBondContact CG1-O 3.45Å; V123-E126 HydrophobicContact CG1-CB 4.03Å
124L98Very high87Confident63 Ų6384.4 Ų84.433%0.3353%0.533SS..EExtended strand (participates in β ladder)trans-96.8-33.1176.2-71.8165.4000112.4F21 L104 V111 Y113F21-L124 HydrophobicContact CB-CD1 3.77Å; F21-L124 HydrophobicContact CB-CD2 4.46Å; F21-L124 HydrophobicContact CD1-CD1 3.64Å; F21-L124 HydrophobicContact CD2-CD1 3.75Å; F21-L124 HydrophobicContact CD2-CD2 3.55Å; F21-L124 HydrophobicContact CD2-CG 4.31Å; F21-L124 HydrophobicContact CE1-CD1 4.11Å; F21-L124 HydrophobicContact CE2-CD1 4.22Å; F21-L124 HydrophobicContact CE2-CD2 3.94Å; F21-L124 HydrophobicContact CG-CD1 3.43Å; F21-L124 VanDerWaalsContact CG-CD1 3.43Å; F21-L124 HydrophobicContact CG-CD2 4.08Å; F21-L124 HydrophobicContact CG-CG 4.42Å; F21-L124 HydrophobicContact CZ-CD1 4.38Å; L104-L124 HydrophobicContact CD1-CD1 3.9Å; V111-L124 HydrophobicContact CB-CB 4.37Å; V111-L124 HydrophobicContact CG1-CB 4.3Å; V111-L124 HydrophobicContact CG1-CD1 4.19Å; V111-L124 WeakPolarHBondContact O-CA 3.25Å; V111-L124 WeakPolarHBondContact O-CB 3.42Å; V111-L124 PolarHBondContact O-N 3.49Å; Y113-L124 HydrophobicContact CD1-CD1 3.42Å; Y113-L124 VanDerWaalsContact CD1-CD1 3.42Å; Y113-L124 HydrophobicContact CD1-CD2 3.91Å; Y113-L124 HydrophobicContact CD1-CG 3.39Å; Y113-L124 HydrophobicContact CE1-CD1 3.98Å; Y113-L124 HydrophobicContact CE1-CD2 3.55Å; Y113-L124 HydrophobicContact CE1-CG 3.56Å; Y113-L124 HydrophobicContact CG-CD1 4.12Å
125Y98.3Very high85Confident62 Ų6285.3 Ų85.324%0.24355%0.554CS.*EExtended strand (participates in β ladder)trans-147138.6-179.2172.5-95.6000108.8P13 E14 A17 E110 V111 V123 A127P13-Y125 HydrophobicContact CB-CE1 4.4Å; P13-Y125 HydrophobicContact CB-CE2 3.96Å; P13-Y125 WeakPolarHBondContact CB-OH 3.28Å; E14-Y125 HydrophobicContact CG-CD1 3.88Å; E14-Y125 HydrophobicContact CG-CE1 3.68Å; A17-Y125 HydrophobicContact CB-CG 4.34Å; E110-Y125 CarbonylContact C-O 3.59Å; E110-Y125 WeakPolarHBondContact CA-O 3.5Å; V111-Y125 HydrophobicContact CG2-CD1 4.21Å; V111-Y125 HydrophobicContact CG2-CG 4.48Å; V111-Y125 PolarHBondContact N-O 2.83Å; V111-Y125 PolarHBondContact O-N 3.4Å; V111-Y125 VanDerWaalsContact O-N 3.17Å; V123-Y125 WeakPolarHBondContact CG1-O 3.45Å; Y125-A127 HydrophobicContact CE1-CB 3.98Å; Y125-A127 WeakPolarHBondContact OH-CB 3.41Å
126E97Very high82.8Confident145 Ų14588 Ų8868%0.67858%0.576SS**EExtended strand (participates in β ladder)trans-144.7138.7173.8-169.8176.6-175.500108.6F109 V123F109-E126 CarbonylContact O-C 3.48Å; F109-E126 VanDerWaalsContact O-CA 3.28Å; F109-E126 WeakPolarHBondContact O-CA 3.36Å; V123-E126 HydrophobicContact CG1-CB 4.03Å
127A94.5Very high80.6Confident35 Ų3592 Ų9229%0.28960%0.6SS.*  trans-136157.2173.700000110.8F109 Y125 A129F109-A127 HydrophobicContact CB-CB 4.29Å; F109-A127 WeakPolarHBondContact CB-O 3.5Å; F109-A127 HydrophobicContact CD1-CB 4.43Å; F109-A127 PolarHBondContact O-N 3.46Å; Y125-A127 HydrophobicContact CE1-CB 3.98Å; Y125-A127 WeakPolarHBondContact OH-CB 3.41Å; A127-A129 PolarHBondContact O-N 3.26Å
128A88.8Confident78.6Confident94 Ų9491.5 Ų91.578%0.77761%0.609SS**PPolyproline II helixtrans-70.9123.5172.400000109.6
129A78.3Confident76.4Confident60 Ų6089.6 Ų89.650%0.49660%0.599SS.*PPolyproline II helixtrans-60138.5166.500000109F109 A127 A131F109-A129 HydrophobicContact CD2-CB 3.69Å; F109-A129 HydrophobicContact CE2-CB 3.8Å; F109-A129 HydrophobicContact CG-CB 4.25Å; F109-A129 HydrophobicContact CZ-CB 4.45Å; A127-A129 PolarHBondContact O-N 3.26Å; A129-A131 PolarHBondContact O-N 3.41Å
130P74.1Confident74Confident92 Ų9294.3 Ų94.360%0.59763%0.625SS**PPolyproline II helixtrans-57.7131.3174.523.3-29.4000108.4F109F109-P130 HydrophobicContact CZ-CG 4.04Å
131A68.3Low71.5Confident87 Ų8794.7 Ų94.772%0.71962%0.623SS**PPolyproline II helixtrans-54.1135176.800000108.5A129 A133A129-A131 PolarHBondContact O-N 3.41Å; A131-A133 PolarHBondContact O-N 3.35Å; A131-A133 VanDerWaalsContact O-N 3.1Å
132P61.6Low69.1Low123 Ų12399.1 Ų99.180%0.79964%0.642SS**PPolyproline II helixtrans-53.8127.1172.322.7-31000106.9A134P132-A134 PolarHBondContact O-N 3.25Å
133A57.1Low66.6Low99 Ų99103.8 Ų103.882%0.81866%0.663SS**  trans-45.3116.9178.800000107.6A131 A135A131-A133 PolarHBondContact O-N 3.35Å; A131-A133 VanDerWaalsContact O-N 3.1Å; A133-A135 PolarHBondContact O-N 3.1Å
134A50.4Low63.9Low93 Ų93104.9 Ų104.977%0.76967%0.673SS**PPolyproline II helixtrans-49.3120.2-177.400000107.5P132P132-A134 PolarHBondContact O-N 3.25Å
135A55Low61Low82 Ų82111.1 Ų111.168%0.67870%0.698SS**PPolyproline II helixtrans-50135167.300000106.8A133 S137A133-A135 PolarHBondContact O-N 3.1Å; A135-S137 PolarHBondContact O-N 2.93Å
136P50.9Low58.2Low127 Ų127114.8 Ų114.883%0.82572%0.721SS**PPolyproline II helixtrans-52.4122.7176.121-30.4000107.6
137S49.5Very low55.4Low106 Ų106114.6 Ų114.674%0.74172%0.72SS**PPolyproline II helixtrans-47131179.1-38.50000109A135 D139A135-S137 PolarHBondContact O-N 2.93Å; S137-D139 PolarHBondContact O-N 3.01Å
138P48.3Very low52.6Low124 Ų124122.6 Ų122.681%0.80575%0.749SS**PPolyproline II helixtrans-62.7124.5170.624.9-29.8000108.4
139D46.5Very low50.7Low130 Ų130125.4 Ų125.470%0.69575%0.75SS**PPolyproline II helixtrans-47.3126.6173.6-149-35.6000110.1S137 T141S137-D139 PolarHBondContact O-N 3.01Å; D139-T141 PolarHBondContact O-N 3Å; D139-T141 PolarHBondContact OD1-OG1 2.92Å
140P44.8Very low49Very low123 Ų123130.8 Ų130.880%0.79977%0.769SS**SBendtrans-77.826-172.331.2-34.5000113.8
141T46.6Very low47.3Very low108 Ų108130.1 Ų130.166%0.66378%0.779SS**  trans-128.159.6-175.155.50000114D139D139-T141 PolarHBondContact O-N 3Å; D139-T141 PolarHBondContact OD1-OG1 2.92Å
142Q46.3Very low45.7Very low198 Ų198129.7 Ų129.793%0.92578%0.782SS**  trans-145.292.3154.1-120.6159.9-5.100111.9
143N45.1Very low45.2Very low150 Ų150135.4 Ų135.480%0.80279%0.788SS**  trans-81.4124.9-179.3-169.716.8000111.3
144C43.4Very low44.5Very low102 Ų102136.8 Ų136.869%0.68979%0.786SS**  trans39.8120.5147-65.40000120.8
145K36.9Very low44.6Very low194 Ų194138.5 Ų138.584%0.84379%0.793SS**  -171.6129.6121.6-102.3158.6-174.2173.60114
146N39.2Very low44.5Very low138 Ų138140 Ų14074%0.73880%0.796SS**  trans75108.4152.1-630.6000118.4
147Q37Very low44.6Very low141 Ų141139.7 Ų139.766%0.65979%0.793SS**  95.7114.866.717815944.800110
148F36.5Very low44.8Very low204 Ų204144.2 Ų144.290%0.89580%0.8SS**  -170.2127.3125-90.4-67.1000109.7
149L48Very low44.7Very low152 Ų152145.8 Ų145.880%0.79680%0.802SS**  trans-61.5145.3168.2-67.7138.9000109.9
150I43.3Very low44.7Very low174 Ų174150.1 Ų150.189%0.89281%0.81SS**  trans-177.8139.1132.3-87.6149.4000108.2
151G39.4Very low44.9Very low78 Ų78151.4 Ų151.480%0.80481%0.809SS**  trans-75.2171.3-161.300000116.7
152G33.8Very low45.3Very low77 Ų77154.1 Ų154.179%0.79482%0.816SS**  trans176.192.8174.100000111.9
153R50.8Low46Very low244 Ų244150.6 Ų150.692%0.92181%0.808SS**  trans-58.4132.5168.8-55.7160.182175.86.5108.8
154T42.2Very low46.4Very low127 Ų127150.1 Ų150.178%0.77981%0.81SS**  trans-163.6103.9143.352.20000111.4
155S52.5Low46.5Very low130 Ų130151 Ų15191%0.90982%0.818SS**  trans-116.8125137.1-67.10000106.7
156P54.1Low47.4Very low113 Ų113151.2 Ų151.273%0.73484%0.844SS**  trans-111.4158.9148.614.55.2000111.1
157P52.3Low47.8Very low120 Ų120151.9 Ų151.978%0.77985%0.849SS**  trans-100.5171.1-151.626-10.2000114N159P157-N159 PolarHBondContact O-N 3.17Å
158K53.7Low48.3Very low202 Ų202152.4 Ų152.488%0.87886%0.859SS**  trans-51.5113.6164.5-68.5178.8175.2179.40110.1
159N45.4Very low49Very low157 Ų157149.6 Ų149.684%0.8486%0.857SS**  trans-164.499.5149-93.4-18000108.8P157 L161P157-N159 PolarHBondContact O-N 3.17Å; N159-L161 PolarHBondContact O-N 3.42Å
160Y47Very low49Very low221 Ų221149.4 Ų149.487%0.86786%0.861SS**  trans-74.1114.6163.4-103.4-99000107.9
161L48.8Very low49.4Very low150 Ų150147.9 Ų147.979%0.78586%0.859SS**  trans-135.7105.4163.5-147.4116.5000107.1N159N159-L161 PolarHBondContact O-N 3.42Å
162M56.4Low50.1Low165 Ų165152.5 Ų152.581%0.81386%0.862SS**  trans-90.3112.9174-63.3-67.5-99.300107.4
163T60.9Low51.2Low123 Ų123157.9 Ų157.976%0.75587%0.867SS**PPolyproline II helixtrans-86122.9167.6270000108.7
164V52.3Low51.3Low140 Ų140151.3 Ų151.385%0.84886%0.863SS**PPolyproline II helixtrans-85.5126.6164.4-77.30000107.9
165S46.9Very low52Low120 Ų120153.3 Ų153.384%0.83987%0.87SS**PPolyproline II helixtrans-90.1137.6169.3-60.60000109
166S53.8Low52Low199 Ų199155.5 Ų155.5100%1.39287%0.866SS**  trans-77.40168.2-53.70000111.5

Retrieved 166 of 166 residues in 104.5 ms (Link to these results)

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