G4VP78_SCHMA Loading...

E3 ubiquitin-protein ligase RNF170

AlphaFold DB , UniProt , Accession G4VP78, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 237 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
1M44.3Very low51.3Low220 Ų220125.6 Ų125.6100%1.08466%0.662SS**  0-13.60-67.8-111.4-157.700113.4
2G47.8Very low51.7Low55 Ų55121.6 Ų121.657%0.56765%0.646SS**THydrogen-bonded Turntrans-73.3-27.1-178.700000116.7L4G2-L4 PolarHBondContact O-N 2.88Å
3F47.5Very low52Low189 Ų189119.2 Ų119.283%0.82964%0.638SS**Hα-helixtrans-77.6-17-175.2-89.6-85.9000115.5
4L44.7Very low52.5Low134 Ų134116.6 Ų116.670%0.70263%0.628SS**Hα-helixtrans-87.5-20.7-179.1-88.2161.6000112.9G2 I8G2-L4 PolarHBondContact O-N 2.88Å; L4-I8 WeakPolarHBondContact O-CD1 3.25Å; L4-I8 WeakPolarHBondContact O-CG1 3.41Å
5L49.7Very low53Low130 Ų130116.5 Ų116.568%0.68162%0.62SS**Hα-helixtrans-80.5-39.3-179.8-92.1135.8000112.4A7 I8 D9L5-A7 VanDerWaalsContact C-N 3.34Å; L5-A7 PolarHBondContact O-N 3.36Å; L5-I8 PolarHBondContact O-N 3.22Å; L5-D9 PolarHBondContact O-N 3.42Å
6E52.9Low53.1Low139 Ų139112.6 Ų112.665%0.6560%0.598SS**Hα-helixtrans-64-36.5177.8-84.2174.416200112.8I8 D9E6-I8 VanDerWaalsContact C-N 3.33Å; E6-I8 PolarHBondContact O-N 3.3Å; E6-D9 PolarHBondContact O-N 2.83Å
7A48.2Very low53.8Low48 Ų48108.3 Ų108.340%0.39758%0.579SS.*Hα-helixtrans-71.3-27.6179.700000113.2L5 H11L5-A7 VanDerWaalsContact C-N 3.34Å; L5-A7 PolarHBondContact O-N 3.36Å; A7-H11 PolarHBondContact O-CD2 3.4Å
8I51Low54.6Low104 Ų104107 Ų10753%0.53357%0.572SS.*Hα-helixtrans-75.5-35.9179.2-67.9169.1000110.3L4 L5 E6 D10 H11 V12L4-I8 WeakPolarHBondContact O-CD1 3.25Å; L4-I8 WeakPolarHBondContact O-CG1 3.41Å; L5-I8 PolarHBondContact O-N 3.22Å; E6-I8 VanDerWaalsContact C-N 3.33Å; E6-I8 PolarHBondContact O-N 3.3Å; I8-D10 PolarHBondContact O-N 2.9Å; I8-H11 PolarHBondContact O-N 3.01Å; I8-V12 HydrophobicContact CG2-CG2 4Å; I8-V12 WeakPolarHBondContact O-CB 2.96Å; I8-V12 VanDerWaalsContact O-CG2 3.25Å; I8-V12 WeakPolarHBondContact O-CG2 2.98Å; I8-V12 PolarHBondContact O-N 3.36Å; I8-V12 VanDerWaalsContact O-N 3.08Å
9D59.4Low55.1Low110 Ų110104.2 Ų104.259%0.58856%0.56SS**Hα-helixtrans-60.8-46.6-179.3-120.7-19.7000111.6L5 E6 H11 V13L5-D9 PolarHBondContact O-N 3.42Å; E6-D9 PolarHBondContact O-N 2.83Å; D9-H11 PolarHBondContact O-N 3.4Å; D9-V13 WeakPolarHBondContact O-CB 3.47Å; D9-V13 WeakPolarHBondContact O-CG2 3.48Å; D9-V13 PolarHBondContact O-N 3.38Å; D9-V13 VanDerWaalsContact O-N 3.08Å
10D60.1Low55.5Low115 Ų115100.5 Ų100.562%0.61554%0.544SS*.Hα-helixtrans-66.1-42.3-178.7-72.7-18.9000112.5I8 V14I8-D10 PolarHBondContact O-N 2.9Å; D10-V14 WeakPolarHBondContact O-CB 3.34Å; D10-V14 WeakPolarHBondContact O-CG2 3.45Å; D10-V14 PolarHBondContact O-N 3.07Å
11H59.2Low56.2Low138 Ų13899.2 Ų99.264%0.63954%0.536SS*.Hα-helixtrans-70.7-37.4-177.9-70-49.1000112.8A7 I8 D9 F15A7-H11 PolarHBondContact O-CD2 3.4Å; I8-H11 PolarHBondContact O-N 3.01Å; D9-H11 PolarHBondContact O-N 3.4Å; H11-F15 WeakPolarHBondContact O-CB 3.48Å; H11-F15 PolarHBondContact O-N 2.83Å
12V56.2Low57.4Low77 Ų7792.2 Ų92.247%0.46751%0.506SS..Hα-helixtrans-69-46177.8174.80000110I8 V14 F15 M16I8-V12 HydrophobicContact CG2-CG2 4Å; I8-V12 WeakPolarHBondContact O-CB 2.96Å; I8-V12 VanDerWaalsContact O-CG2 3.25Å; I8-V12 WeakPolarHBondContact O-CG2 2.98Å; I8-V12 PolarHBondContact O-N 3.36Å; I8-V12 VanDerWaalsContact O-N 3.08Å; V12-V14 VanDerWaalsContact C-N 3.29Å; V12-V14 PolarHBondContact O-N 2.75Å; V12-F15 PolarHBondContact O-N 2.96Å; V12-M16 HydrophobicContact CG1-CG 3.94Å; V12-M16 VanDerWaalsContact O-CB 3.25Å; V12-M16 WeakPolarHBondContact O-CB 3.29Å; V12-M16 WeakPolarHBondContact O-CG 3.44Å; V12-M16 PolarHBondContact O-N 3.37Å
13V55.4Low58.3Low90 Ų9091.4 Ų91.455%0.54549%0.488SS..Hα-helixtrans-59.6-40.6176.5173.20000111.4D9 S17D9-V13 WeakPolarHBondContact O-CB 3.47Å; D9-V13 WeakPolarHBondContact O-CG2 3.48Å; D9-V13 PolarHBondContact O-N 3.38Å; D9-V13 VanDerWaalsContact O-N 3.08Å; V13-S17 VanDerWaalsContact O-CB 3.23Å; V13-S17 WeakPolarHBondContact O-CB 3.3Å; V13-S17 PolarHBondContact O-N 2.94Å; V13-S17 PolarHBondContact O-OG 3.14Å
14V58.2Low59.4Low83 Ų8388.9 Ų88.950%0.50348%0.477SS..Hα-helixtrans-64.6-47.2175.6171.30000111.1D10 V12 M16 S17 L18D10-V14 WeakPolarHBondContact O-CB 3.34Å; D10-V14 WeakPolarHBondContact O-CG2 3.45Å; D10-V14 PolarHBondContact O-N 3.07Å; V12-V14 VanDerWaalsContact C-N 3.29Å; V12-V14 PolarHBondContact O-N 2.75Å; V14-M16 VanDerWaalsContact C-N 3.33Å; V14-M16 PolarHBondContact O-N 3.06Å; V14-S17 PolarHBondContact O-N 3.45Å; V14-S17 PolarHBondContact O-OG 3.21Å; V14-L18 VanDerWaalsContact O-CG 3.3Å; V14-L18 WeakPolarHBondContact O-CG 3.13Å; V14-L18 PolarHBondContact O-N 3.3Å; V14-L18 VanDerWaalsContact O-N 3.15Å
15F59.7Low60.8Low116 Ų11687.4 Ų87.451%0.50947%0.47SS..Hα-helixtrans-66.3-36.4-178.6-150.3-91.4000112.6H11 V12 P19 F217H11-F15 WeakPolarHBondContact O-CB 3.48Å; H11-F15 PolarHBondContact O-N 2.83Å; V12-F15 PolarHBondContact O-N 2.96Å; F15-P19 WeakPolarHBondContact O-CD 3.39Å; F15-F217 HydrophobicContact CE1-CE1 4.15Å; F15-F217 HydrophobicContact CE1-CZ 4.33Å; F15-F217 HydrophobicContact CZ-CE1 4.11Å; F15-F217 HydrophobicContact CZ-CZ 4.37Å
16M56Low61.8Low54 Ų5486.2 Ų86.227%0.26646%0.463SS..Hα-helixtrans-76.5-32.5-179.6-66.7-61.9-84.800112.9V12 V14 L187 L190V12-M16 HydrophobicContact CG1-CG 3.94Å; V12-M16 VanDerWaalsContact O-CB 3.25Å; V12-M16 WeakPolarHBondContact O-CB 3.29Å; V12-M16 WeakPolarHBondContact O-CG 3.44Å; V12-M16 PolarHBondContact O-N 3.37Å; V14-M16 VanDerWaalsContact C-N 3.33Å; V14-M16 PolarHBondContact O-N 3.06Å; M16-L187 HydrophobicContact CB-CD1 3.75Å; M16-L187 HydrophobicContact CE-CD1 3.78Å; M16-L190 HydrophobicContact CE-CB 4.32Å; M16-L190 HydrophobicContact CE-CD1 3.26Å; M16-L190 HydrophobicContact CE-CG 4.41Å
17S64.2Low62.5Low39 Ų3982.1 Ų82.127%0.27345%0.452SS..Hα-helixtrans-75.2-25.217461.10000112.5V13 V14 A20 I21V13-S17 VanDerWaalsContact O-CB 3.23Å; V13-S17 WeakPolarHBondContact O-CB 3.3Å; V13-S17 PolarHBondContact O-N 2.94Å; V13-S17 PolarHBondContact O-OG 3.14Å; V14-S17 PolarHBondContact O-N 3.45Å; V14-S17 PolarHBondContact O-OG 3.21Å; S17-A20 PolarHBondContact O-N 2.75Å; S17-I21 VanDerWaalsContact O-CB 3.29Å; S17-I21 WeakPolarHBondContact O-CB 3.44Å; S17-I21 WeakPolarHBondContact O-CD1 3.44Å; S17-I21 WeakPolarHBondContact O-CG1 3.48Å; S17-I21 PolarHBondContact O-N 2.98Å
18L68.1Low63.7Low85 Ų8582.5 Ų82.545%0.44545%0.45SS..Hα-helixtrans-56.2-49-176.9-83.3172.4000114V14 I21 V22V14-L18 VanDerWaalsContact O-CG 3.3Å; V14-L18 WeakPolarHBondContact O-CG 3.13Å; V14-L18 PolarHBondContact O-N 3.3Å; V14-L18 VanDerWaalsContact O-N 3.15Å; L18-I21 PolarHBondContact O-N 2.84Å; L18-V22 WeakPolarHBondContact O-CB 3.49Å; L18-V22 WeakPolarHBondContact O-CG2 3.25Å; L18-V22 PolarHBondContact O-N 3.21Å
19P64.4Low64.6Low54 Ų5479.5 Ų79.535%0.35144%0.444SS..Hα-helixtrans-62.1-44175.3-23.833.4000112.8F15 I21 V22 L23 F217F15-P19 WeakPolarHBondContact O-CD 3.39Å; P19-I21 VanDerWaalsContact C-N 3.35Å; P19-I21 PolarHBondContact O-N 3.34Å; P19-V22 PolarHBondContact O-N 3.34Å; P19-L23 WeakPolarHBondContact O-CB 3.34Å; P19-L23 WeakPolarHBondContact O-CD1 3.31Å; P19-L23 WeakPolarHBondContact O-CG 3.44Å; P19-L23 PolarHBondContact O-N 3.07Å; P19-F217 HydrophobicContact CG-CE2 4.49Å
20A63.5Low64.8Low29 Ų2980.3 Ų80.324%0.2444%0.443CS..Hα-helixtrans-64-40177.800000112S17 L23 F24 L184 L187S17-A20 PolarHBondContact O-N 2.75Å; A20-L23 PolarHBondContact O-N 2.94Å; A20-F24 WeakPolarHBondContact O-CB 3.45Å; A20-F24 PolarHBondContact O-N 2.83Å; A20-L184 HydrophobicContact CB-CD2 4.05Å; A20-L187 HydrophobicContact CB-CD2 3.65Å
21I69.9Low65.3Low74 Ų7478.4 Ų78.438%0.37944%0.436SS..Hα-helixtrans-64.3-45.9173.3-69.4164.4000109.5S17 L18 P19 L23 F24 L25S17-I21 VanDerWaalsContact O-CB 3.29Å; S17-I21 WeakPolarHBondContact O-CB 3.44Å; S17-I21 WeakPolarHBondContact O-CD1 3.44Å; S17-I21 WeakPolarHBondContact O-CG1 3.48Å; S17-I21 PolarHBondContact O-N 2.98Å; L18-I21 PolarHBondContact O-N 2.84Å; P19-I21 VanDerWaalsContact C-N 3.35Å; P19-I21 PolarHBondContact O-N 3.34Å; I21-L23 VanDerWaalsContact C-N 3.29Å; I21-L23 PolarHBondContact O-N 2.95Å; I21-F24 CarbonylContact O-C 3.57Å; I21-F24 PolarHBondContact O-N 2.78Å; I21-L25 HydrophobicContact CG2-CD1 3.73Å; I21-L25 HydrophobicContact CG2-CG 4.08Å; I21-L25 VanDerWaalsContact O-CB 3.27Å; I21-L25 WeakPolarHBondContact O-CB 3.41Å; I21-L25 WeakPolarHBondContact O-CG 3.46Å; I21-L25 PolarHBondContact O-N 3.12Å
22V69Low65.8Low74 Ų7480.2 Ų80.245%0.44844%0.437SS..Hα-helixtrans-60.1-42.3177.3167.80000110.6L18 P19 L25 I26L18-V22 WeakPolarHBondContact O-CB 3.49Å; L18-V22 WeakPolarHBondContact O-CG2 3.25Å; L18-V22 PolarHBondContact O-N 3.21Å; P19-V22 PolarHBondContact O-N 3.34Å; V22-L25 CarbonylContact O-C 3.38Å; V22-L25 PolarHBondContact O-N 2.95Å; V22-I26 HydrophobicContact CG1-CD1 3.76Å; V22-I26 HydrophobicContact CG1-CG1 4.43Å; V22-I26 WeakPolarHBondContact O-CB 3.44Å; V22-I26 WeakPolarHBondContact O-CG1 3.15Å; V22-I26 PolarHBondContact O-N 3.16Å
23L66.8Low66.2Low38 Ų3877 Ų7720%0.19942%0.419CS..Hα-helixtrans-68.7-41.5176.8-68.8166.2000112.7P19 A20 I21 L25 I26 A27 T180 L184P19-L23 WeakPolarHBondContact O-CB 3.34Å; P19-L23 WeakPolarHBondContact O-CD1 3.31Å; P19-L23 WeakPolarHBondContact O-CG 3.44Å; P19-L23 PolarHBondContact O-N 3.07Å; A20-L23 PolarHBondContact O-N 2.94Å; I21-L23 VanDerWaalsContact C-N 3.29Å; I21-L23 PolarHBondContact O-N 2.95Å; L23-L25 VanDerWaalsContact C-N 3.3Å; L23-L25 PolarHBondContact O-N 2.82Å; L23-I26 PolarHBondContact O-N 3.06Å; L23-A27 WeakPolarHBondContact O-CB 3.33Å; L23-A27 PolarHBondContact O-N 2.84Å; L23-T180 HydrophobicContact CD1-CG2 3.47Å; L23-T180 VanDerWaalsContact CD1-CG2 3.47Å; L23-T180 HydrophobicContact CD2-CG2 3.25Å; L23-T180 HydrophobicContact CG-CG2 3.93Å; L23-L184 HydrophobicContact CD1-CD1 3.93Å; L23-L184 HydrophobicContact CD1-CD2 3.88Å; L23-L184 HydrophobicContact CD1-CG 3.79Å
24F71.2Confident66.6Low135 Ų13575.4 Ų75.459%0.59240%0.404SS*.Hα-helixtrans-60.9-42.2172179.4-101.1000110.4A20 I21 A27 V28A20-F24 WeakPolarHBondContact O-CB 3.45Å; A20-F24 PolarHBondContact O-N 2.83Å; I21-F24 CarbonylContact O-C 3.57Å; I21-F24 PolarHBondContact O-N 2.78Å; F24-A27 PolarHBondContact O-N 3.45Å; F24-V28 HydrophobicContact CD1-CG2 4Å; F24-V28 HydrophobicContact CD2-CG2 4.2Å; F24-V28 HydrophobicContact CE1-CG2 3.67Å; F24-V28 HydrophobicContact CE2-CG2 3.88Å; F24-V28 HydrophobicContact CG-CG2 4.26Å; F24-V28 HydrophobicContact CZ-CG2 3.6Å; F24-V28 WeakPolarHBondContact O-CA 3.17Å; F24-V28 WeakPolarHBondContact O-CB 3.49Å; F24-V28 WeakPolarHBondContact O-CG2 3.42Å; F24-V28 PolarHBondContact O-N 3.23Å
25L74.4Confident66.8Low104 Ų10477.2 Ų77.255%0.54541%0.405SS..Hα-helixtrans-69.4-34.7176.6-70175.3000112.4I21 V22 L23 G29I21-L25 HydrophobicContact CG2-CD1 3.73Å; I21-L25 HydrophobicContact CG2-CG 4.08Å; I21-L25 VanDerWaalsContact O-CB 3.27Å; I21-L25 WeakPolarHBondContact O-CB 3.41Å; I21-L25 WeakPolarHBondContact O-CG 3.46Å; I21-L25 PolarHBondContact O-N 3.12Å; V22-L25 CarbonylContact O-C 3.38Å; V22-L25 PolarHBondContact O-N 2.95Å; L23-L25 VanDerWaalsContact C-N 3.3Å; L23-L25 PolarHBondContact O-N 2.82Å; L25-G29 WeakPolarHBondContact O-CA 3.43Å; L25-G29 PolarHBondContact O-N 2.97Å
26I70.1Confident67Low105 Ų10580 Ų8054%0.53841%0.412SS..Hα-helixtrans-68.7-46.1172.7-71164.2000110V22 L23 G29 F30V22-I26 HydrophobicContact CG1-CD1 3.76Å; V22-I26 HydrophobicContact CG1-CG1 4.43Å; V22-I26 WeakPolarHBondContact O-CB 3.44Å; V22-I26 WeakPolarHBondContact O-CG1 3.15Å; V22-I26 PolarHBondContact O-N 3.16Å; L23-I26 PolarHBondContact O-N 3.06Å; I26-G29 CarbonylContact O-C 3.58Å; I26-G29 PolarHBondContact O-N 3.45Å; I26-F30 WeakPolarHBondContact O-CB 3.22Å; I26-F30 PolarHBondContact O-N 3.04Å
27A68.2Low67Low52 Ų5280.4 Ų80.443%0.4342%0.421SS..Hα-helixtrans-64.2-47.3177.600000110.7L23 F24 G29 F30 V31L23-A27 WeakPolarHBondContact O-CB 3.33Å; L23-A27 PolarHBondContact O-N 2.84Å; F24-A27 PolarHBondContact O-N 3.45Å; A27-G29 VanDerWaalsContact C-N 3.31Å; A27-G29 PolarHBondContact O-N 3.42Å; A27-F30 PolarHBondContact O-N 2.94Å; A27-V31 VanDerWaalsContact O-CB 3.26Å; A27-V31 WeakPolarHBondContact O-CB 3.45Å; A27-V31 WeakPolarHBondContact O-CG2 3.44Å; A27-V31 PolarHBondContact O-N 3.42Å
28V71.8Confident66.8Low56 Ų5680 Ų8034%0.33942%0.417SS..Hα-helixtrans-61.3-40.4172169.40000110.1F24 F30 V31 W32F24-V28 HydrophobicContact CD1-CG2 4Å; F24-V28 HydrophobicContact CD2-CG2 4.2Å; F24-V28 HydrophobicContact CE1-CG2 3.67Å; F24-V28 HydrophobicContact CE2-CG2 3.88Å; F24-V28 HydrophobicContact CG-CG2 4.26Å; F24-V28 HydrophobicContact CZ-CG2 3.6Å; F24-V28 WeakPolarHBondContact O-CA 3.17Å; F24-V28 WeakPolarHBondContact O-CB 3.49Å; F24-V28 WeakPolarHBondContact O-CG2 3.42Å; F24-V28 PolarHBondContact O-N 3.23Å; V28-F30 VanDerWaalsContact C-N 3.33Å; V28-F30 PolarHBondContact O-N 3.14Å; V28-V31 PolarHBondContact O-N 2.73Å; V28-W32 WeakPolarHBondContact O-CA 3.26Å; V28-W32 WeakPolarHBondContact O-CB 3.48Å; V28-W32 PolarHBondContact O-N 3.47Å
29G70.1Confident66.3Low41 Ų4180.3 Ų80.342%0.42342%0.424SS..Hα-helixtrans-65-36.1175.600000112.8L25 I26 A27 G33L25-G29 WeakPolarHBondContact O-CA 3.43Å; L25-G29 PolarHBondContact O-N 2.97Å; I26-G29 CarbonylContact O-C 3.58Å; I26-G29 PolarHBondContact O-N 3.45Å; A27-G29 VanDerWaalsContact C-N 3.31Å; A27-G29 PolarHBondContact O-N 3.42Å; G29-G33 VanDerWaalsContact O-CA 3.32Å; G29-G33 WeakPolarHBondContact O-CA 3.09Å; G29-G33 PolarHBondContact O-N 2.94Å
30F65.2Low65.8Low128 Ų12888.2 Ų88.256%0.56145%0.447SS*.Hα-helixtrans-71.9-46.8175.4-168-94.8000111.1I26 A27 V28 G33 Y34I26-F30 WeakPolarHBondContact O-CB 3.22Å; I26-F30 PolarHBondContact O-N 3.04Å; A27-F30 PolarHBondContact O-N 2.94Å; V28-F30 VanDerWaalsContact C-N 3.33Å; V28-F30 PolarHBondContact O-N 3.14Å; F30-G33 CarbonylContact O-C 3.56Å; F30-G33 PolarHBondContact O-N 2.79Å; F30-Y34 WeakPolarHBondContact O-CB 3.35Å; F30-Y34 PolarHBondContact O-N 3.27Å
31V69.1Low65.4Low75 Ų7588.8 Ų88.846%0.45545%0.448SS..Hα-helixtrans-63.7-52.3176.1169.90000110.2A27 V28 G33 Y34 F35A27-V31 VanDerWaalsContact O-CB 3.26Å; A27-V31 WeakPolarHBondContact O-CB 3.45Å; A27-V31 WeakPolarHBondContact O-CG2 3.44Å; A27-V31 PolarHBondContact O-N 3.42Å; V28-V31 PolarHBondContact O-N 2.73Å; V31-G33 VanDerWaalsContact C-N 3.3Å; V31-G33 PolarHBondContact O-N 3.12Å; V31-Y34 CarbonylContact O-C 3.59Å; V31-Y34 WeakPolarHBondContact O-CA 3.29Å; V31-Y34 WeakPolarHBondContact O-CB 3.38Å; V31-Y34 PolarHBondContact O-N 3.29Å; V31-Y34 VanDerWaalsContact O-N 3.08Å; V31-F35 HydrophobicContact CG1-CD2 3.58Å; V31-F35 HydrophobicContact CG1-CE2 3.7Å; V31-F35 WeakPolarHBondContact O-CB 3.46Å; V31-F35 WeakPolarHBondContact O-CD2 2.98Å; V31-F35 PolarHBondContact O-N 3.05Å
32W70.5Confident64.7Low175 Ų17596.1 Ų96.166%0.66347%0.471SS*.Hα-helixtrans-59-42.1173.5-171.9-85.4000111.1V28 Y34 F35 R36V28-W32 WeakPolarHBondContact O-CA 3.26Å; V28-W32 WeakPolarHBondContact O-CB 3.48Å; V28-W32 PolarHBondContact O-N 3.47Å; W32-Y34 VanDerWaalsContact C-N 3.29Å; W32-Y34 PolarHBondContact O-N 3.48Å; W32-F35 PolarHBondContact O-N 3.46Å; W32-R36 WeakPolarHBondContact O-CA 3.34Å; W32-R36 WeakPolarHBondContact O-CB 3.39Å; W32-R36 PolarHBondContact O-N 3.28Å
33G65Low63.7Low10 Ų10103.1 Ų103.110%0.10349%0.49CS..Hα-helixtrans-64.6-32.917500000113.4G29 F30 V31 R96G29-G33 VanDerWaalsContact O-CA 3.32Å; G29-G33 WeakPolarHBondContact O-CA 3.09Å; G29-G33 PolarHBondContact O-N 2.94Å; F30-G33 CarbonylContact O-C 3.56Å; F30-G33 PolarHBondContact O-N 2.79Å; V31-G33 VanDerWaalsContact C-N 3.3Å; V31-G33 PolarHBondContact O-N 3.12Å; G33-R96 PolarHBondContact O-NH2 3.06Å
34Y63.2Low62.8Low57 Ų57106.6 Ų106.622%0.22451%0.507CS..Hα-helixtrans-72.3-45.1174.4-179.1-101.5000111F30 V31 W32 R150 I154 F157F30-Y34 WeakPolarHBondContact O-CB 3.35Å; F30-Y34 PolarHBondContact O-N 3.27Å; V31-Y34 CarbonylContact O-C 3.59Å; V31-Y34 WeakPolarHBondContact O-CA 3.29Å; V31-Y34 WeakPolarHBondContact O-CB 3.38Å; V31-Y34 PolarHBondContact O-N 3.29Å; V31-Y34 VanDerWaalsContact O-N 3.08Å; W32-Y34 VanDerWaalsContact C-N 3.29Å; W32-Y34 PolarHBondContact O-N 3.48Å; Y34-R150 HydrophobicContact CE1-CG 3.76Å; Y34-R150 PolarHBondContact O-NH1 2.94Å; Y34-R150 VanDerWaalsContact OH-CD 3.31Å; Y34-R150 WeakPolarHBondContact OH-CD 3.46Å; Y34-R150 PolarHBondContact OH-O 3.38Å; Y34-I154 VanDerWaalsContact OH-CG1 3.3Å; Y34-I154 WeakPolarHBondContact OH-CG1 3.4Å; Y34-F157 HydrophobicContact CE2-CD2 4.18Å; Y34-F157 HydrophobicContact CE2-CE2 4.21Å
35F63Low61.6Low121 Ų121105.2 Ų105.253%0.53151%0.51SS..Hα-helixtrans-77.6-25.2179.3-79.2-72.5000113.7V31 W32 S37V31-F35 HydrophobicContact CG1-CD2 3.58Å; V31-F35 HydrophobicContact CG1-CE2 3.7Å; V31-F35 WeakPolarHBondContact O-CB 3.46Å; V31-F35 WeakPolarHBondContact O-CD2 2.98Å; V31-F35 PolarHBondContact O-N 3.05Å; W32-F35 PolarHBondContact O-N 3.46Å; F35-S37 PolarHBondContact O-N 2.86Å; F35-S37 VanDerWaalsContact O-N 3.08Å
36R62.8Low60.2Low173 Ų173107.6 Ų107.665%0.65352%0.518SS*.SBendtrans-67.5111.1175-172.6174-174.7172.92.6107.6W32W32-R36 WeakPolarHBondContact O-CA 3.34Å; W32-R36 WeakPolarHBondContact O-CB 3.39Å; W32-R36 PolarHBondContact O-N 3.28Å
37S56.6Low58.8Low63 Ų63107 Ų10744%0.44152%0.523SS..PPolyproline II helixtrans-47.7144170-55.80000109.8F35F35-S37 PolarHBondContact O-N 2.86Å; F35-S37 VanDerWaalsContact O-N 3.08Å
38P59.3Low57.7Low31 Ų31109.6 Ų109.620%0.20154%0.538CS..PPolyproline II helixtrans-50.4146.1170.424.3-34.3000109.1R40 W139P38-R40 PolarHBondContact O-N 3.4Å; P38-W139 WeakPolarHBondContact CG-O 3.34Å
39P57.8Low56.7Low91 Ų91111.6 Ų111.659%0.59156%0.561SS**PPolyproline II helixtrans-50.7132.3175.521.2-31000108.6P41P39-P41 VanDerWaalsContact O-N 3.15Å
40R54.4Low55.4Low221 Ų221118.5 Ų118.583%0.83457%0.574SS**PPolyproline II helixtrans-49.2127.1174.6-82-173.4176.5-171.8-1.3107.2P38 R42P38-R40 PolarHBondContact O-N 3.4Å; R40-R42 PolarHBondContact O-N 3.32Å; R40-R42 VanDerWaalsContact O-N 3.12Å
41P55.2Low54.4Low41 Ų41120.7 Ų120.727%0.26659%0.59SS.*PPolyproline II helixtrans-53.8127177.622.2-33.3000108.2P39 R43P39-P41 VanDerWaalsContact O-N 3.15Å; P41-R43 PolarHBondContact O-N 3.06Å; P41-R43 VanDerWaalsContact O-N 3.08Å
42R54.3Low53.1Low228 Ų228125.4 Ų125.486%0.8660%0.6SS**PPolyproline II helixtrans-57.4119.8168-169.5179.4-167.6-173.53.8105.2R40 I44R40-R42 PolarHBondContact O-N 3.32Å; R40-R42 VanDerWaalsContact O-N 3.12Å; R42-I44 VanDerWaalsContact C-N 3.27Å; R42-I44 PolarHBondContact O-N 3.49Å
43R48.8Very low51.8Low221 Ų221121.6 Ų121.683%0.83460%0.599SS**  trans-60.498.6171-171.7-176.8-69.1-147.70.2106P41 T45P41-R43 PolarHBondContact O-N 3.06Å; P41-R43 VanDerWaalsContact O-N 3.08Å; R43-T45 HydrophobicContact CG-CG2 4.48Å; R43-T45 PolarHBondContact O-N 3.34Å
44I48.8Very low50.8Low111 Ų111128.4 Ų128.457%0.56963%0.632SS**  trans-71.695.4168.8-57.3177.1000104R42 H46R42-I44 VanDerWaalsContact C-N 3.27Å; R42-I44 PolarHBondContact O-N 3.49Å; I44-H46 VanDerWaalsContact CG2-CD2 3.48Å; I44-H46 WeakPolarHBondContact CG2-CD2 3.46Å; I44-H46 WeakPolarHBondContact CG2-NE2 3.35Å; I44-H46 PolarHBondContact O-N 2.85Å
45T44.2Very low49.8Very low106 Ų106128.3 Ų128.365%0.6564%0.639SS**  trans-64.294.3159.450.70000105.3R43 S47R43-T45 HydrophobicContact CG-CG2 4.48Å; R43-T45 PolarHBondContact O-N 3.34Å; T45-S47 PolarHBondContact O-N 3.19Å
46H46Very low49Very low153 Ų153129.5 Ų129.571%0.70865%0.651SS**  trans-6787.8158.6-81.5-79000106I44I44-H46 VanDerWaalsContact CG2-CD2 3.48Å; I44-H46 WeakPolarHBondContact CG2-CD2 3.46Å; I44-H46 WeakPolarHBondContact CG2-NE2 3.35Å; I44-H46 PolarHBondContact O-N 2.85Å
47S40.6Very low48.6Very low94 Ų94125 Ų12566%0.65765%0.646SS**  trans-59.3140.5152.4520000107.5T45T45-S47 PolarHBondContact O-N 3.19Å
48S45.1Very low48.8Very low105 Ų105126.8 Ų126.873%0.73465%0.651SS**SBendtrans78.792.7167.9-50.70000116.5R50S48-R50 PolarHBondContact O-N 3.26Å
49A51.5Low49.3Very low99 Ų99130.8 Ų130.882%0.81866%0.663SS**  38.484.2109.300000115.2
50R41.2Very low50.7Low185 Ų185129.9 Ų129.970%0.69865%0.653SS**  trans-133.387.9140.8-138.5-177.6-94.6176.7-10.8107.6S48 R52S48-R50 PolarHBondContact O-N 3.26Å; R50-R52 HydrophobicContact CB-CG 4.12Å; R50-R52 HydrophobicContact CG-CG 3.7Å; R50-R52 PolarHBondContact O-N 3.49Å
51I44.9Very low52.5Low175 Ų175119.3 Ų119.390%0.89761%0.613SS**  trans-55.490.5152.1-62.3167.8000104.1
52R42.8Very low54.1Low174 Ų174120 Ų12066%0.65762%0.617SS**  trans-90.7113.2174.6-88.8-171.7159.4-168.5-6.1106.7R50 I54R50-R52 HydrophobicContact CB-CG 4.12Å; R50-R52 HydrophobicContact CG-CG 3.7Å; R50-R52 PolarHBondContact O-N 3.49Å; R52-I54 PolarHBondContact O-N 3.13Å
53S42.6Very low55.9Low94 Ų94112.6 Ų112.666%0.65759%0.594SS**  trans0107.9160.354.40000115.3S55S53-S55 PolarHBondContact O-N 3.27Å
54I43Very low58Low154 Ų154104.1 Ų104.179%0.7957%0.568SS**  trans-57.2103.5168.8-63163.6000108.1R52R52-I54 PolarHBondContact O-N 3.13Å
55S43.1Very low60Low54 Ų54106.1 Ų106.138%0.37858%0.577SS.*  trans-120.7137.2160.6640000107.6S53 S57 D58S53-S55 PolarHBondContact O-N 3.27Å; S55-S57 PolarHBondContact O-N 3.38Å; S55-S57 PolarHBondContact OG-OG 3.45Å; S55-D58 PolarHBondContact N-OD2 2.87Å; S55-D58 WeakPolarHBondContact O-CB 3.32Å; S55-D58 PolarHBondContact O-N 3.05Å
56N46.9Very low62.1Low146 Ų146107.3 Ų107.378%0.78158%0.575SS**G310 helixtrans-53.2-19.2-172.2-97.80.5000115D58N56-D58 PolarHBondContact O-N 3Å
57S52.7Low64Low78 Ų78106.3 Ų106.355%0.54557%0.569SS.*G310 helixtrans-70.7-8.3173.752.20000114.8S55 Y59S55-S57 PolarHBondContact O-N 3.38Å; S55-S57 PolarHBondContact OG-OG 3.45Å; S57-Y59 PolarHBondContact O-N 3.46Å
58D62.3Low66.1Low101 Ų101101.9 Ų101.954%0.5454%0.538SS..G310 helixtrans-76.4-8.2179.1-72.3-41.1000113.8S55 N56S55-D58 PolarHBondContact N-OD2 2.87Å; S55-D58 WeakPolarHBondContact O-CB 3.32Å; S55-D58 PolarHBondContact O-N 3.05Å; N56-D58 PolarHBondContact O-N 3Å
59Y70.2Confident68.2Low115 Ų11599 Ų9945%0.45152%0.518SS..G310 helixtrans-93.8-15.4180-69.5-78.1000113.7S57 P68S57-Y59 PolarHBondContact O-N 3.46Å; Y59-P68 WeakPolarHBondContact O-CD 3.26Å; Y59-P68 WeakPolarHBondContact O-CG 3.46Å
60D86.6Confident70Confident72 Ų7294.5 Ų94.539%0.38548%0.48SS..SBendtrans-69.8142.4-175.5-62.5-36.9000111.7P62 E66D60-P62 WeakPolarHBondContact O-CD 3.42Å; D60-E66 WeakPolarHBondContact CA-O 3.39Å
61C91.8Very high72.5Confident0 Ų087 Ų870%045%0.454CS..  trans-67.1123.9171.9177.30000108.6I63 C64 M65 E66 P68 C81C61-I63 PolarHBondContact O-N 2.88Å; C61-C64 VanDerWaalsContact CB-SG 3.59Å; C61-C64 PolarHBondContact O-N 3.31Å; C61-M65 VanDerWaalsContact O-CA 3.25Å; C61-M65 WeakPolarHBondContact O-CA 3.39Å; C61-M65 PolarHBondContact O-N 2.82Å; C61-E66 PolarHBondContact N-O 3.43Å; C61-P68 HydrophobicContact CB-CB 4.48Å; C61-P68 HydrophobicContact CB-CG 4.29Å; C61-C81 WeakPolarHBondContact CB-SG 3.44Å; C61-C81 PolarHBondContact SG-N 3.37Å; C61-C81 VanDerWaalsContact SG-N 3.37Å
62P89.7Confident74.8Confident54 Ų5478.7 Ų78.735%0.35141%0.411SS..THydrogen-bonded Turntrans-69.4-3.6-176.431.5-40.8000113.9D60 F80 M102D60-P62 WeakPolarHBondContact O-CD 3.42Å; P62-F80 HydrophobicContact CG-CD1 3.57Å; P62-F80 HydrophobicContact CG-CE1 3.29Å; P62-F80 HydrophobicContact CG-CZ 4.28Å; P62-M102 HydrophobicContact CB-CE 4.28Å; P62-M102 HydrophobicContact CB-CG 4.24Å; P62-M102 HydrophobicContact CB-SD 3.34Å; P62-M102 WeakPolarHBondContact CB-SD 3.24Å; P62-M102 HydrophobicContact CG-CE 4.42Å; P62-M102 HydrophobicContact CG-CG 3.67Å; P62-M102 HydrophobicContact CG-SD 3.47Å; P62-M102 WeakPolarHBondContact CG-SD 3.14Å
63I91.8Very high77.3Confident74 Ų7472.1 Ų72.138%0.37939%0.387SS..THydrogen-bonded Turntrans-93.7-48.9178.9-60.6170.4000110.5C61 F80 C84 P101C61-I63 PolarHBondContact O-N 2.88Å; I63-F80 HydrophobicContact CD1-CD1 3.79Å; I63-F80 HydrophobicContact CD1-CE1 4.34Å; I63-F80 HydrophobicContact CG1-CD1 4.13Å; I63-C84 HydrophobicContact CB-CB 3.9Å; I63-C84 HydrophobicContact CD1-CB 3.74Å; I63-C84 HydrophobicContact CG1-CB 4.41Å; I63-C84 HydrophobicContact CG2-CB 3.88Å; I63-P101 HydrophobicContact CD1-CG 4.39Å
64C92.8Very high79.7Confident42 Ų4267.8 Ų67.828%0.28436%0.357SS..THydrogen-bonded Turntrans-101-12.4-179.462.10000114C61 E66C61-C64 VanDerWaalsContact CB-SG 3.59Å; C61-C64 PolarHBondContact O-N 3.31Å; C64-E66 PolarHBondContact O-N 3.3Å
65M89.8Confident81.9Confident154 Ų15463.4 Ų63.476%0.75934%0.335SS*.SBendtrans59.930.9-175.6-54.5-177.1-76.100113.5C61C61-M65 VanDerWaalsContact O-CA 3.25Å; C61-M65 WeakPolarHBondContact O-CA 3.39Å; C61-M65 PolarHBondContact O-N 2.82Å
66E88.9Confident84.2Confident131 Ų13162 Ų6261%0.61233%0.325SS*.SBendtrans-124164.3176.5-63.6177.2172.300110.5D60 C61 C64D60-E66 WeakPolarHBondContact CA-O 3.39Å; C61-E66 PolarHBondContact N-O 3.43Å; C64-E66 PolarHBondContact O-N 3.3Å
67F85.3Confident86.3Confident131 Ų13159.1 Ų59.158%0.57532%0.315SS*.  trans-59.3135.1174.5-173.4-95.5000110.6S69F67-S69 PolarHBondContact O-N 2.82Å
68P85.4Confident88.1Confident2 Ų258 Ų581%0.01330%0.301CS..  trans-73.6108.8-167.9-1631.6000112.2Y59 C61 M71 C81Y59-P68 WeakPolarHBondContact O-CD 3.26Å; Y59-P68 WeakPolarHBondContact O-CG 3.46Å; C61-P68 HydrophobicContact CB-CB 4.48Å; C61-P68 HydrophobicContact CB-CG 4.29Å; P68-M71 HydrophobicContact CB-CB 4.06Å; P68-M71 HydrophobicContact CB-CG 3.91Å; P68-M71 HydrophobicContact CB-SD 4.39Å; P68-M71 HydrophobicContact CG-CG 4.38Å; P68-M71 HydrophobicContact CG-SD 4.3Å; P68-C81 VanDerWaalsContact CA-SG 3.54Å
69S88.1Confident89.6Confident44 Ų4458 Ų5831%0.30829%0.294SS..THydrogen-bonded Turntrans-71.8133.416666.90000110.2F67F67-S69 PolarHBondContact O-N 2.82Å
70L90.9Very high90.8Very high4 Ų452.6 Ų52.62%0.02127%0.273CS..THydrogen-bonded Turntrans49.463.7-176.2-67.4169000110.3A82 F114 E118 R126 I129L70-A82 HydrophobicContact CB-CB 4.18Å; L70-A82 WeakPolarHBondContact O-CB 3.45Å; L70-A82 PolarHBondContact O-N 3.16Å; L70-F114 HydrophobicContact CB-CD1 3.95Å; L70-F114 HydrophobicContact CB-CE1 3.68Å; L70-F114 HydrophobicContact CB-CZ 4.25Å; L70-F114 HydrophobicContact CD2-CB 4.3Å; L70-F114 HydrophobicContact CD2-CD1 3.76Å; L70-F114 HydrophobicContact CD2-CD2 3.9Å; L70-F114 HydrophobicContact CD2-CE1 3.99Å; L70-F114 HydrophobicContact CD2-CE2 4.1Å; L70-F114 HydrophobicContact CD2-CG 3.72Å; L70-F114 HydrophobicContact CD2-CZ 4.15Å; L70-F114 HydrophobicContact CG-CD1 4.49Å; L70-F114 HydrophobicContact CG-CE1 4.46Å; L70-F114 WeakPolarHBondContact O-CE1 3.33Å; L70-E118 HydrophobicContact CD2-CB 3.92Å; L70-E118 HydrophobicContact CD2-CG 4.27Å; L70-E118 PolarHBondContact N-OE1 3.5Å; L70-R126 HydrophobicContact CD2-CG 4.28Å; L70-I129 HydrophobicContact CD1-CD1 3.26Å
71M92.8Very high91.1Very high29 Ų2949.4 Ų49.414%0.14326%0.256CS..EExtended strand (participates in β ladder)trans-61.5138.5-171.4-168.4173.178.600112.6P68 R79 L113P68-M71 HydrophobicContact CB-CB 4.06Å; P68-M71 HydrophobicContact CB-CG 3.91Å; P68-M71 HydrophobicContact CB-SD 4.39Å; P68-M71 HydrophobicContact CG-CG 4.38Å; P68-M71 HydrophobicContact CG-SD 4.3Å; M71-R79 HydrophobicContact CE-CG 4.48Å; M71-R79 HydrophobicContact CG-CB 4.27Å; M71-R79 HydrophobicContact SD-CB 4.12Å; M71-R79 HydrophobicContact SD-CG 4.23Å; M71-L113 HydrophobicContact CB-CB 4.42Å; M71-L113 HydrophobicContact CE-CB 3.47Å; M71-L113 VanDerWaalsContact CE-CB 3.47Å; M71-L113 HydrophobicContact CE-CD1 4.35Å; M71-L113 HydrophobicContact CE-CD2 3.7Å; M71-L113 HydrophobicContact CE-CG 4.03Å; M71-L113 PolarHBondContact O-N 2.85Å
72I94.4Very high91.2Very high0 Ų049.4 Ų49.40%026%0.256CS..EExtended strand (participates in β ladder)trans-123.1148.8170.663.5167.3000111.1R79 F80 A82 F85 L110 T111 F114 L133I72-R79 VanDerWaalsContact O-CA 3.25Å; I72-R79 WeakPolarHBondContact O-CA 3.35Å; I72-F80 HydrophobicContact CG1-CB 4.27Å; I72-F80 WeakPolarHBondContact CG1-O 3.29Å; I72-F80 PolarHBondContact N-O 2.99Å; I72-F80 PolarHBondContact O-N 3.35Å; I72-A82 HydrophobicContact CG2-CB 3.85Å; I72-F85 HydrophobicContact CD1-CB 3.47Å; I72-F85 VanDerWaalsContact CD1-CB 3.47Å; I72-F85 HydrophobicContact CD1-CD1 3.92Å; I72-F85 HydrophobicContact CD1-CD2 4.47Å; I72-F85 HydrophobicContact CD1-CG 3.69Å; I72-F85 HydrophobicContact CG1-CB 4.46Å; I72-L110 HydrophobicContact CD1-CD1 4.04Å; I72-L110 HydrophobicContact CD1-CD2 3.89Å; I72-L110 HydrophobicContact CD1-CG 4.39Å; I72-T111 CarbonylContact C-O 3.52Å; I72-T111 VanDerWaalsContact CA-O 3.26Å; I72-T111 WeakPolarHBondContact CA-O 3.45Å; I72-F114 HydrophobicContact CG2-CE1 4.4Å; I72-L133 HydrophobicContact CD1-CD2 4.24Å; I72-L133 HydrophobicContact CG2-CD1 3.82Å; I72-L133 HydrophobicContact CG2-CD2 3.89Å
73E93.6Very high91.5Very high35 Ų3550.6 Ų50.616%0.16426%0.257CS..EExtended strand (participates in β ladder)trans-119.7127.9175.3-175.3166.1163.100110.3R79 L110 T111 L113E73-R79 HydrophobicContact CB-CG 4.25Å; E73-R79 HydrophobicContact CG-CG 4.26Å; E73-R79 IonicContact OE1-NH2 3.54Å; E73-R79 IonicContact OE2-CZ 3.44Å; E73-R79 IonicContact OE2-NE 3.06Å; E73-R79 PolarHBondContact OE2-NE 3.49Å; E73-R79 IonicContact OE2-NH2 2.94Å; E73-R79 PolarHBondContact OE2-NH2 3.44Å; E73-L110 WeakPolarHBondContact O-CA 3.49Å; E73-T111 PolarHBondContact N-O 3.5Å; E73-T111 PolarHBondContact O-N 3.03Å; E73-L113 HydrophobicContact CB-CD1 3.33Å
74T93.2Very high91.6Very high3 Ų348.2 Ų48.22%0.01825%0.246CC..EExtended strand (participates in β ladder)trans-77.6162175.856.80000111.1C76 C77 H78 F80 F85 V107 L110T74-C76 PolarHBondContact O-N 3.48Å; T74-C76 PolarHBondContact OG1-SG 3.49Å; T74-C77 WeakPolarHBondContact O-CA 3.48Å; T74-C77 PolarHBondContact O-N 3.41Å; T74-H78 PolarHBondContact N-O 2.98Å; T74-H78 PolarHBondContact OG1-N 3.09Å; T74-H78 VanDerWaalsContact OG1-N 3.16Å; T74-H78 PolarHBondContact OG1-O 3.09Å; T74-F80 HydrophobicContact CG2-CD2 4.07Å; T74-F80 HydrophobicContact CG2-CE2 3.75Å; T74-F85 HydrophobicContact CG2-CE2 4.06Å; T74-V107 HydrophobicContact CG2-CG1 3.86Å; T74-V107 HydrophobicContact CG2-CG2 3.96Å; T74-L110 HydrophobicContact CG2-CD2 3.79Å
75N90.2Very high91.7Very high63 Ų6346.2 Ų46.234%0.33723%0.233SC..THydrogen-bonded Turntrans-60.4-13.8172.357.8-73.4000114.9C77 Q106 V107 S108 T109N75-C77 VanDerWaalsContact C-N 3.32Å; N75-Q106 PolarHBondContact ND2-O 2.83Å; N75-V107 VanDerWaalsContact OD1-CA 3.22Å; N75-V107 WeakPolarHBondContact OD1-CA 3.34Å; N75-S108 PolarHBondContact OD1-N 2.73Å; N75-S108 PolarHBondContact OD1-OG 3.21Å; N75-T109 PolarHBondContact N-O 3.38Å; N75-T109 VanDerWaalsContact N-O 3.16Å
76C90.7Very high91.9Very high25 Ų2539.3 Ų39.317%0.16920%0.199CC..THydrogen-bonded Turntrans-9414.2171620000113.3T74 H78 C103T74-C76 PolarHBondContact O-N 3.48Å; T74-C76 PolarHBondContact OG1-SG 3.49Å; C76-H78 PolarHBondContact O-N 3.04Å; C76-H78 PolarHBondContact O-ND1 2.78Å; C76-H78 PolarHBondContact SG-ND1 3.08Å; C76-C103 PolarHBondContact SG-SG 3.08Å
77C90.6Very high92.1Very high84 Ų8439 Ų3957%0.56820%0.201SC*.SBendtrans61.820.2177.1-50.70000115.4T74 N75T74-C77 WeakPolarHBondContact O-CA 3.48Å; T74-C77 PolarHBondContact O-N 3.41Å; N75-C77 VanDerWaalsContact C-N 3.32Å
78H91.9Very high92.4Very high55 Ų5535.6 Ų35.626%0.25519%0.187SC..  trans-90.2144169.7-62.9100.7000110.9T74 C76 F80 M102 C103T74-H78 PolarHBondContact N-O 2.98Å; T74-H78 PolarHBondContact OG1-N 3.09Å; T74-H78 VanDerWaalsContact OG1-N 3.16Å; T74-H78 PolarHBondContact OG1-O 3.09Å; C76-H78 PolarHBondContact O-N 3.04Å; C76-H78 PolarHBondContact O-ND1 2.78Å; C76-H78 PolarHBondContact SG-ND1 3.08Å; H78-F80 HydrophobicContact CB-CE2 3.69Å; H78-F80 HydrophobicContact CB-CZ 3.94Å; H78-M102 HydrophobicContact CB-CB 4.09Å; H78-M102 HydrophobicContact CB-CG 4.19Å; H78-M102 VanDerWaalsContact CD2-CB 3.48Å; H78-M102 WeakPolarHBondContact CD2-CB 3.5Å; H78-C103 WeakPolarHBondContact CE1-CB 3.29Å; H78-C103 VanDerWaalsContact CE1-SG 3.58Å
79R92.6Very high92.7Very high102 Ų10235.8 Ų35.839%0.38519%0.187SC..EExtended strand (participates in β ladder)trans-113.2143.7-172.9-63.9177.3-177.7108.510.4112.3M71 I72 E73M71-R79 HydrophobicContact CE-CG 4.48Å; M71-R79 HydrophobicContact CG-CB 4.27Å; M71-R79 HydrophobicContact SD-CB 4.12Å; M71-R79 HydrophobicContact SD-CG 4.23Å; I72-R79 VanDerWaalsContact O-CA 3.25Å; I72-R79 WeakPolarHBondContact O-CA 3.35Å; E73-R79 HydrophobicContact CB-CG 4.25Å; E73-R79 HydrophobicContact CG-CG 4.26Å; E73-R79 IonicContact OE1-NH2 3.54Å; E73-R79 IonicContact OE2-CZ 3.44Å; E73-R79 IonicContact OE2-NE 3.06Å; E73-R79 PolarHBondContact OE2-NE 3.49Å; E73-R79 IonicContact OE2-NH2 2.94Å; E73-R79 PolarHBondContact OE2-NH2 3.44Å
80F94.8Very high92.6Very high0 Ų037.9 Ų37.90%019%0.191CC..EExtended strand (participates in β ladder)trans-148.2160.8-177.8-53.4-91.4000110.6P62 I63 I72 T74 H78 F85 P101 M102P62-F80 HydrophobicContact CG-CD1 3.57Å; P62-F80 HydrophobicContact CG-CE1 3.29Å; P62-F80 HydrophobicContact CG-CZ 4.28Å; I63-F80 HydrophobicContact CD1-CD1 3.79Å; I63-F80 HydrophobicContact CD1-CE1 4.34Å; I63-F80 HydrophobicContact CG1-CD1 4.13Å; I72-F80 HydrophobicContact CG1-CB 4.27Å; I72-F80 WeakPolarHBondContact CG1-O 3.29Å; I72-F80 PolarHBondContact N-O 2.99Å; I72-F80 PolarHBondContact O-N 3.35Å; T74-F80 HydrophobicContact CG2-CD2 4.07Å; T74-F80 HydrophobicContact CG2-CE2 3.75Å; H78-F80 HydrophobicContact CB-CE2 3.69Å; H78-F80 HydrophobicContact CB-CZ 3.94Å; F80-F85 HydrophobicContact CB-CB 4.19Å; F80-F85 AromaticContact CD2-CD2 3.98Å; F80-F85 HydrophobicContact CD2-CD2 3.98Å; F80-F85 HydrophobicContact CE2-CD2 4.33Å; F80-F85 HydrophobicContact CG-CD2 4.23Å; F80-P101 HydrophobicContact CE1-CB 4.02Å; F80-P101 HydrophobicContact CE1-CG 4.03Å; F80-P101 HydrophobicContact CZ-CB 4.38Å; F80-P101 HydrophobicContact CZ-CG 4.27Å; F80-M102 HydrophobicContact CE1-CG 3.82Å; F80-M102 HydrophobicContact CZ-CB 4.22Å; F80-M102 HydrophobicContact CZ-CG 3.59Å
81C94Very high92.3Very high5 Ų548.3 Ų48.33%0.03423%0.23CC..EExtended strand (participates in β ladder)trans-61.7138.6160.2-51.60000108.8C61 P68 E83 C84 F85C61-C81 WeakPolarHBondContact CB-SG 3.44Å; C61-C81 PolarHBondContact SG-N 3.37Å; C61-C81 VanDerWaalsContact SG-N 3.37Å; P68-C81 VanDerWaalsContact CA-SG 3.54Å; C81-E83 VanDerWaalsContact C-N 3.28Å; C81-E83 PolarHBondContact O-N 3.27Å; C81-C84 HydrophobicContact CB-CB 3.94Å; C81-C84 PolarHBondContact O-N 2.71Å; C81-F85 PolarHBondContact O-N 3.15Å; C81-F85 VanDerWaalsContact O-N 3.12Å
82A94.7Very high91.5Very high0 Ų048.6 Ų48.60%023%0.233CC..Hα-helixtrans-54.7-46.7176.200000111.9L70 I72 C84 F85 I86 I129L70-A82 HydrophobicContact CB-CB 4.18Å; L70-A82 WeakPolarHBondContact O-CB 3.45Å; L70-A82 PolarHBondContact O-N 3.16Å; I72-A82 HydrophobicContact CG2-CB 3.85Å; A82-C84 PolarHBondContact O-N 3.44Å; A82-F85 PolarHBondContact O-N 3.2Å; A82-I86 HydrophobicContact CB-CD1 4.35Å; A82-I86 WeakPolarHBondContact O-CB 3.36Å; A82-I86 WeakPolarHBondContact O-CD1 3.46Å; A82-I86 WeakPolarHBondContact O-CG1 3.39Å; A82-I86 PolarHBondContact O-N 2.85Å; A82-I129 HydrophobicContact CB-CG2 3.4Å
83E94.7Very high90.1Very high79 Ų7950.3 Ų50.337%0.36924%0.242SC..Hα-helixtrans-64.8-40.1-177.9-66-175163.400112.8C81 I86 L87 R125 I129C81-E83 VanDerWaalsContact C-N 3.28Å; C81-E83 PolarHBondContact O-N 3.27Å; E83-I86 PolarHBondContact O-N 3.09Å; E83-L87 VanDerWaalsContact O-CB 3.31Å; E83-L87 WeakPolarHBondContact O-CB 3.43Å; E83-L87 PolarHBondContact O-N 3.15Å; E83-R125 VanDerWaalsContact CD-NH2 3.27Å; E83-R125 IonicContact OE1-CZ 3.72Å; E83-R125 IonicContact OE1-NE 3.8Å; E83-R125 PolarHBondContact OE1-NE 2.83Å; E83-R125 IonicContact OE1-NH2 2.79Å; E83-R125 PolarHBondContact OE1-NH2 2.8Å; E83-R125 IonicContact OE2-CZ 3.75Å; E83-R125 IonicContact OE2-NE 3.42Å; E83-R125 IonicContact OE2-NH2 3.43Å; E83-R125 PolarHBondContact OE2-NH2 3.28Å; E83-I129 HydrophobicContact CG-CD1 3.61Å; E83-I129 HydrophobicContact CG-CG1 4.07Å
84C95.2Very high88.5Confident24 Ų2454.2 Ų54.216%0.16226%0.256CS..Hα-helixtrans-62.6-45.8177.9-72.80000111.2I63 C81 A82 L87 H88I63-C84 HydrophobicContact CB-CB 3.9Å; I63-C84 HydrophobicContact CD1-CB 3.74Å; I63-C84 HydrophobicContact CG1-CB 4.41Å; I63-C84 HydrophobicContact CG2-CB 3.88Å; C81-C84 HydrophobicContact CB-CB 3.94Å; C81-C84 PolarHBondContact O-N 2.71Å; A82-C84 PolarHBondContact O-N 3.44Å; C84-L87 PolarHBondContact O-N 3.35Å; C84-H88 PolarHBondContact O-N 2.86Å
85F94.7Very high87.3Confident1 Ų156.8 Ų56.80%0.00427%0.274CS..Hα-helixtrans-69.9-39.4178.3-170-85.5000112.1I72 T74 F80 C81 A82 L87 H88 W89 I98 V107 L110 F136I72-F85 HydrophobicContact CD1-CB 3.47Å; I72-F85 VanDerWaalsContact CD1-CB 3.47Å; I72-F85 HydrophobicContact CD1-CD1 3.92Å; I72-F85 HydrophobicContact CD1-CD2 4.47Å; I72-F85 HydrophobicContact CD1-CG 3.69Å; I72-F85 HydrophobicContact CG1-CB 4.46Å; T74-F85 HydrophobicContact CG2-CE2 4.06Å; F80-F85 HydrophobicContact CB-CB 4.19Å; F80-F85 AromaticContact CD2-CD2 3.98Å; F80-F85 HydrophobicContact CD2-CD2 3.98Å; F80-F85 HydrophobicContact CE2-CD2 4.33Å; F80-F85 HydrophobicContact CG-CD2 4.23Å; C81-F85 PolarHBondContact O-N 3.15Å; C81-F85 VanDerWaalsContact O-N 3.12Å; A82-F85 PolarHBondContact O-N 3.2Å; F85-L87 VanDerWaalsContact C-N 3.31Å; F85-L87 PolarHBondContact O-N 3.27Å; F85-H88 WeakPolarHBondContact O-CB 3.38Å; F85-H88 PolarHBondContact O-N 3.33Å; F85-W89 WeakPolarHBondContact O-CB 3.48Å; F85-W89 PolarHBondContact O-N 3.04Å; F85-I98 HydrophobicContact CZ-CG2 4.01Å; F85-V107 HydrophobicContact CE2-CG2 4.27Å; F85-V107 HydrophobicContact CZ-CB 4.15Å; F85-V107 HydrophobicContact CZ-CG1 3.88Å; F85-V107 HydrophobicContact CZ-CG2 4.09Å; F85-L110 HydrophobicContact CD1-CD1 3.74Å; F85-L110 HydrophobicContact CD1-CD2 4.14Å; F85-L110 HydrophobicContact CE1-CD1 3.66Å; F85-L110 HydrophobicContact CE1-CD2 3.83Å; F85-L110 HydrophobicContact CE1-CG 4.26Å; F85-L110 HydrophobicContact CZ-CD2 4.05Å; F85-F136 HydrophobicContact CE1-CD2 4.28Å; F85-F136 AromaticContact CE1-CE2 3.76Å; F85-F136 HydrophobicContact CE1-CE2 3.76Å; F85-F136 AromaticContact CE1-CZ 4Å; F85-F136 HydrophobicContact CE1-CZ 4Å; F85-F136 HydrophobicContact CZ-CE2 4.34Å; F85-F136 HydrophobicContact CZ-CZ 4.29Å
86I93.7Very high86.2Confident9 Ų961.6 Ų61.65%0.04629%0.288CS..Hα-helixtrans-62-40.7175.8-72.1162.9000110.5A82 E83 W89 K90 I129 D132 L133A82-I86 HydrophobicContact CB-CD1 4.35Å; A82-I86 WeakPolarHBondContact O-CB 3.36Å; A82-I86 WeakPolarHBondContact O-CD1 3.46Å; A82-I86 WeakPolarHBondContact O-CG1 3.39Å; A82-I86 PolarHBondContact O-N 2.85Å; E83-I86 PolarHBondContact O-N 3.09Å; I86-W89 HydrophobicContact CG2-CE3 4.45Å; I86-W89 PolarHBondContact O-N 3.48Å; I86-K90 HydrophobicContact CG2-CD 3.86Å; I86-K90 HydrophobicContact CG2-CG 4.3Å; I86-K90 WeakPolarHBondContact O-CB 3.35Å; I86-K90 WeakPolarHBondContact O-CG 3.34Å; I86-K90 PolarHBondContact O-N 2.94Å; I86-I129 HydrophobicContact CD1-CG1 4.42Å; I86-I129 HydrophobicContact CD1-CG2 4.17Å; I86-D132 HydrophobicContact CD1-CB 3.66Å; I86-D132 HydrophobicContact CG1-CB 4.11Å; I86-D132 HydrophobicContact CG2-CB 4.18Å; I86-L133 HydrophobicContact CD1-CD2 4.4Å; I86-L133 HydrophobicContact CD1-CG 4.46Å
87L93.1Very high85.7Confident123 Ų12363.4 Ų63.464%0.64430%0.298SS*.Hα-helixtrans-63-45175.6-17962.9000111.3E83 C84 F85 W89 K90 R91E83-L87 VanDerWaalsContact O-CB 3.31Å; E83-L87 WeakPolarHBondContact O-CB 3.43Å; E83-L87 PolarHBondContact O-N 3.15Å; C84-L87 PolarHBondContact O-N 3.35Å; F85-L87 VanDerWaalsContact C-N 3.31Å; F85-L87 PolarHBondContact O-N 3.27Å; L87-W89 VanDerWaalsContact C-N 3.35Å; L87-W89 PolarHBondContact O-N 2.83Å; L87-K90 PolarHBondContact O-N 2.82Å; L87-R91 PolarHBondContact O-N 3.44Å
88H92.1Very high85.6Confident60 Ų6059.5 Ų59.528%0.27827%0.271SS..Hα-helixtrans-56.1-49.7173.117567.6000111.2C84 F85 K90 R91 T92 S99C84-H88 PolarHBondContact O-N 2.86Å; F85-H88 WeakPolarHBondContact O-CB 3.38Å; F85-H88 PolarHBondContact O-N 3.33Å; H88-K90 PolarHBondContact O-N 2.88Å; H88-R91 PolarHBondContact O-N 3Å; H88-T92 PolarHBondContact O-N 3.34Å; H88-T92 PolarHBondContact O-OG1 2.84Å; H88-T92 VanDerWaalsContact O-OG1 3.13Å; H88-S99 PolarHBondContact NE2-O 3.14Å
89W90.2Very high85.6Confident6 Ų659.7 Ų59.72%0.02328%0.279CS..Hα-helixtrans-59.7-47.6177.8169.847.8000112.9F85 I86 L87 R91 T92 I93 D132 L135 F136 W139 H140F85-W89 WeakPolarHBondContact O-CB 3.48Å; F85-W89 PolarHBondContact O-N 3.04Å; I86-W89 HydrophobicContact CG2-CE3 4.45Å; I86-W89 PolarHBondContact O-N 3.48Å; L87-W89 VanDerWaalsContact C-N 3.35Å; L87-W89 PolarHBondContact O-N 2.83Å; W89-R91 VanDerWaalsContact C-N 3.26Å; W89-R91 PolarHBondContact O-N 3.43Å; W89-T92 CarbonylContact O-C 3.57Å; W89-T92 VanDerWaalsContact O-C 3.25Å; W89-T92 WeakPolarHBondContact O-CA 3.42Å; W89-T92 PolarHBondContact O-N 2.76Å; W89-T92 PolarHBondContact O-OG1 2.99Å; W89-T92 VanDerWaalsContact O-OG1 3.04Å; W89-I93 PolarHBondContact O-N 3.34Å; W89-I93 VanDerWaalsContact O-N 3.14Å; W89-D132 HydrophobicContact CZ3-CB 4.43Å; W89-L135 HydrophobicContact CH2-CB 4.12Å; W89-L135 HydrophobicContact CH2-CD2 3.87Å; W89-L135 HydrophobicContact CH2-CG 3.86Å; W89-F136 HydrophobicContact CB-CD2 4.48Å; W89-F136 AromaticContact CD1-CD2 3.9Å; W89-F136 AromaticContact CD1-CE2 3.98Å; W89-F136 AromaticContact CD2-CD2 3.67Å; W89-F136 HydrophobicContact CD2-CD2 3.67Å; W89-F136 HydrophobicContact CD2-CE2 4.44Å; W89-F136 AromaticContact CE2-CD2 3.74Å; W89-F136 HydrophobicContact CE3-CB 4.38Å; W89-F136 HydrophobicContact CE3-CD2 4.17Å; W89-F136 AromaticContact CG-CD2 3.78Å; W89-F136 HydrophobicContact CG-CD2 3.78Å; W89-F136 HydrophobicContact CG-CE2 4.1Å; W89-F136 HydrophobicContact CH2-CB 4.09Å; W89-F136 HydrophobicContact CZ2-CB 4.3Å; W89-F136 HydrophobicContact CZ2-CD2 4.3Å; W89-F136 HydrophobicContact CZ3-CB 4.13Å; W89-F136 AromaticContact NE1-CD2 3.85Å; W89-W139 HydrophobicContact CZ2-CE3 4.1Å; W89-W139 HydrophobicContact CZ2-CZ3 4.13Å; W89-H140 AromaticContact NE1-NE2 3.46Å; W89-H140 PolarHBondContact NE1-NE2 3.46Å
90K87Confident85.5Confident89 Ų8954.9 Ų54.939%0.38726%0.261SS..Hα-helixtrans-63.6-31179.3-76.1178-179.6170.40112.3I86 L87 H88 T92 D132I86-K90 HydrophobicContact CG2-CD 3.86Å; I86-K90 HydrophobicContact CG2-CG 4.3Å; I86-K90 WeakPolarHBondContact O-CB 3.35Å; I86-K90 WeakPolarHBondContact O-CG 3.34Å; I86-K90 PolarHBondContact O-N 2.94Å; L87-K90 PolarHBondContact O-N 2.82Å; H88-K90 PolarHBondContact O-N 2.88Å; K90-T92 VanDerWaalsContact C-N 3.3Å; K90-D132 IonicContact NZ-OD1 2.73Å; K90-D132 PolarHBondContact NZ-OD1 3.44Å; K90-D132 IonicContact NZ-OD2 3.67Å; K90-D132 PolarHBondContact NZ-OD2 2.86Å
91R83.4Confident85.3Confident222 Ų22257.5 Ų57.584%0.83828%0.278SS*.Hα-helixtrans-70-30.1172.9-164.8175-166.71674.3112.3L87 H88 W89L87-R91 PolarHBondContact O-N 3.44Å; H88-R91 PolarHBondContact O-N 3Å; W89-R91 VanDerWaalsContact C-N 3.26Å; W89-R91 PolarHBondContact O-N 3.43Å
92T76.1Confident85.1Confident36 Ų3662.1 Ų62.122%0.22130%0.3CS..THydrogen-bonded Turntrans-102.626.8179.759.40000112.8H88 W89 K90 Y94 S95 I98H88-T92 PolarHBondContact O-N 3.34Å; H88-T92 PolarHBondContact O-OG1 2.84Å; H88-T92 VanDerWaalsContact O-OG1 3.13Å; W89-T92 CarbonylContact O-C 3.57Å; W89-T92 VanDerWaalsContact O-C 3.25Å; W89-T92 WeakPolarHBondContact O-CA 3.42Å; W89-T92 PolarHBondContact O-N 2.76Å; W89-T92 PolarHBondContact O-OG1 2.99Å; W89-T92 VanDerWaalsContact O-OG1 3.04Å; K90-T92 VanDerWaalsContact C-N 3.3Å; T92-Y94 PolarHBondContact O-N 2.86Å; T92-S95 VanDerWaalsContact O-CB 3.32Å; T92-S95 WeakPolarHBondContact O-CB 3.46Å; T92-S95 PolarHBondContact O-N 3.08Å; T92-I98 WeakPolarHBondContact OG1-CD1 3.44Å
93I65.6Low84.9Confident36 Ų3664.9 Ų64.919%0.18532%0.319CS..THydrogen-bonded Turntrans-58.7-24.7-170.1-128.9164000113.2W89 S95W89-I93 PolarHBondContact O-N 3.34Å; W89-I93 VanDerWaalsContact O-N 3.14Å; I93-S95 VanDerWaalsContact C-N 3.29Å; I93-S95 PolarHBondContact O-N 2.78Å
94Y59.5Low84.6Confident117 Ų11771.1 Ų71.146%0.45934%0.339SS..THydrogen-bonded Turntrans-76.8-12.5176.8-51.7-70.2000113.7T92 G160 L164T92-Y94 PolarHBondContact O-N 2.86Å; Y94-G160 WeakPolarHBondContact CE1-O 3.31Å; Y94-G160 PolarHBondContact OH-O 3.18Å; Y94-L164 HydrophobicContact CD1-CD2 4.2Å; Y94-L164 HydrophobicContact CE1-CB 3.97Å; Y94-L164 HydrophobicContact CE1-CD2 4.16Å
95S67.6Low84.3Confident57 Ų5771 Ų7140%0.39934%0.342SS..  trans-86.6114.7-178-58.70000110.8T92 I93 V97T92-S95 VanDerWaalsContact O-CB 3.32Å; T92-S95 WeakPolarHBondContact O-CB 3.46Å; T92-S95 PolarHBondContact O-N 3.08Å; I93-S95 VanDerWaalsContact C-N 3.29Å; I93-S95 PolarHBondContact O-N 2.78Å; S95-V97 WeakPolarHBondContact CB-O 3.49Å; S95-V97 PolarHBondContact O-N 3.44Å
96R67.5Low84.1Confident164 Ų16473.5 Ų73.562%0.61935%0.353SS*.SBendtrans-57.6-28.4172.6-70.4-169.6-177.4-1754.4113.2G33G33-R96 PolarHBondContact O-NH2 3.06Å
97V81.7Confident83.9Confident63 Ų6373.1 Ų73.138%0.38235%0.351SS..SBendtrans-117.7121.5-178.8179.20000107.3S95 Q106S95-V97 WeakPolarHBondContact CB-O 3.49Å; S95-V97 PolarHBondContact O-N 3.44Å; V97-Q106 HydrophobicContact CG1-CB 4.05Å; V97-Q106 HydrophobicContact CG1-CG 3.82Å
98I88.2Confident83.8Confident1 Ų167.5 Ų67.51%0.00532%0.322CS..PPolyproline II helixtrans-96.5120175-56.4-59.6000107.9F85 T92 V107 F136F85-I98 HydrophobicContact CZ-CG2 4.01Å; T92-I98 WeakPolarHBondContact OG1-CD1 3.44Å; I98-V107 PolarHBondContact O-N 3.03Å; I98-F136 HydrophobicContact CB-CE2 4.25Å; I98-F136 HydrophobicContact CB-CZ 4.4Å; I98-F136 HydrophobicContact CG1-CE2 4.02Å; I98-F136 HydrophobicContact CG2-CE2 4.25Å
99S90.3Very high83.7Confident59 Ų5967 Ų6741%0.41332%0.324SS..BIsolated β-bridgetrans-87.8137.3176-710000110.8H88 P101 R104 G105H88-S99 PolarHBondContact NE2-O 3.14Å; S99-P101 WeakPolarHBondContact O-CD 3.5Å; S99-R104 PolarHBondContact OG-O 2.92Å; S99-G105 CarbonylContact C-O 3.51Å; S99-G105 WeakPolarHBondContact CA-O 3.26Å
100C91.7Very high83.9Confident2 Ų267.1 Ų67.11%0.01432%0.324CS..PPolyproline II helixtrans-61.5127171.9-179.50000109.5M102 R104 G105 V107C100-M102 PolarHBondContact O-N 3.43Å; C100-M102 VanDerWaalsContact O-N 3.14Å; C100-M102 PolarHBondContact SG-N 3.21Å; C100-R104 WeakPolarHBondContact O-CA 3.12Å; C100-R104 PolarHBondContact O-N 3.48Å; C100-G105 WeakPolarHBondContact CB-O 3.37Å; C100-G105 PolarHBondContact N-O 3.01Å; C100-V107 HydrophobicContact CB-CG2 3.75Å
101P90.7Very high84.2Confident54 Ų5466.8 Ų66.835%0.35133%0.33SS..THydrogen-bonded Turntrans-58.2-26.6176.2-26.334.8000113.8I63 F80 S99I63-P101 HydrophobicContact CD1-CG 4.39Å; F80-P101 HydrophobicContact CE1-CB 4.02Å; F80-P101 HydrophobicContact CE1-CG 4.03Å; F80-P101 HydrophobicContact CZ-CB 4.38Å; F80-P101 HydrophobicContact CZ-CG 4.27Å; S99-P101 WeakPolarHBondContact O-CD 3.5Å
102M89.7Confident84.7Confident102 Ų10262 Ų6250%0.50232%0.316SS..THydrogen-bonded Turntrans-84.1-57.2-178-71.9-68.2-85.300113.3P62 H78 F80 C100P62-M102 HydrophobicContact CB-CE 4.28Å; P62-M102 HydrophobicContact CB-CG 4.24Å; P62-M102 HydrophobicContact CB-SD 3.34Å; P62-M102 WeakPolarHBondContact CB-SD 3.24Å; P62-M102 HydrophobicContact CG-CE 4.42Å; P62-M102 HydrophobicContact CG-CG 3.67Å; P62-M102 HydrophobicContact CG-SD 3.47Å; P62-M102 WeakPolarHBondContact CG-SD 3.14Å; H78-M102 HydrophobicContact CB-CB 4.09Å; H78-M102 HydrophobicContact CB-CG 4.19Å; H78-M102 VanDerWaalsContact CD2-CB 3.48Å; H78-M102 WeakPolarHBondContact CD2-CB 3.5Å; F80-M102 HydrophobicContact CE1-CG 3.82Å; F80-M102 HydrophobicContact CZ-CB 4.22Å; F80-M102 HydrophobicContact CZ-CG 3.59Å; C100-M102 PolarHBondContact O-N 3.43Å; C100-M102 VanDerWaalsContact O-N 3.14Å; C100-M102 PolarHBondContact SG-N 3.21Å
103C89.7Confident85.4Confident58 Ų5863.3 Ų63.339%0.39232%0.321SS..THydrogen-bonded Turntrans-106.8-1.1-174.568.70000114.7C76 H78 G105C76-C103 PolarHBondContact SG-SG 3.08Å; H78-C103 WeakPolarHBondContact CE1-CB 3.29Å; H78-C103 VanDerWaalsContact CE1-SG 3.58Å; C103-G105 PolarHBondContact O-N 3.37Å; C103-G105 PolarHBondContact SG-N 3.06Å
104R89.9Confident86.6Confident211 Ų21163.3 Ų63.380%0.79632%0.319SS*.  trans61.41.8-175.1-52.4179.3179.3-138.5-0.8115.2S99 C100S99-R104 PolarHBondContact OG-O 2.92Å; C100-R104 WeakPolarHBondContact O-CA 3.12Å; C100-R104 PolarHBondContact O-N 3.48Å
105G88.4Confident87.9Confident21 Ų2160.6 Ų60.622%0.21632%0.315CS..  trans-67.7157.9174.400000112.7S99 C100 C103 V107S99-G105 CarbonylContact C-O 3.51Å; S99-G105 WeakPolarHBondContact CA-O 3.26Å; C100-G105 WeakPolarHBondContact CB-O 3.37Å; C100-G105 PolarHBondContact N-O 3.01Å; C103-G105 PolarHBondContact O-N 3.37Å; C103-G105 PolarHBondContact SG-N 3.06Å; G105-V107 PolarHBondContact O-N 3.12Å
106Q89.1Confident88.8Confident54 Ų5461.4 Ų61.425%0.25233%0.325SS..BIsolated β-bridgetrans-68.7127.2178.9175.71748.800111.4N75 V97N75-Q106 PolarHBondContact ND2-O 2.83Å; V97-Q106 HydrophobicContact CG1-CB 4.05Å; V97-Q106 HydrophobicContact CG1-CG 3.82Å
107V91.2Very high89.7Confident0 Ų061 Ų610%033%0.33CS..  trans-92.6115.7172.4-173.80000109.3T74 N75 F85 I98 C100 G105 L110 F136T74-V107 HydrophobicContact CG2-CG1 3.86Å; T74-V107 HydrophobicContact CG2-CG2 3.96Å; N75-V107 VanDerWaalsContact OD1-CA 3.22Å; N75-V107 WeakPolarHBondContact OD1-CA 3.34Å; F85-V107 HydrophobicContact CE2-CG2 4.27Å; F85-V107 HydrophobicContact CZ-CB 4.15Å; F85-V107 HydrophobicContact CZ-CG1 3.88Å; F85-V107 HydrophobicContact CZ-CG2 4.09Å; I98-V107 PolarHBondContact O-N 3.03Å; C100-V107 HydrophobicContact CB-CG2 3.75Å; G105-V107 PolarHBondContact O-N 3.12Å; V107-L110 HydrophobicContact CG1-CD2 3.73Å; V107-L110 HydrophobicContact CG1-CG 4.43Å; V107-F136 HydrophobicContact CB-CZ 4.19Å; V107-F136 HydrophobicContact CG1-CE1 3.95Å; V107-F136 HydrophobicContact CG1-CZ 3.76Å
108S89.4Confident89.9Confident6 Ų659.7 Ų59.74%0.04232%0.32CS..  trans-106.5-30.817756.80000112.9N75 H140 S141N75-S108 PolarHBondContact OD1-N 2.73Å; N75-S108 PolarHBondContact OD1-OG 3.21Å; S108-H140 WeakPolarHBondContact CA-O 3.39Å; S108-H140 WeakPolarHBondContact CB-O 3.32Å; S108-H140 CarbonylContact O-C 3.25Å; S108-S141 VanDerWaalsContact O-CA 3.26Å; S108-S141 WeakPolarHBondContact O-CA 3Å; S108-S141 PolarHBondContact O-N 2.9Å; S108-S141 VanDerWaalsContact O-N 3.08Å
109T91.6Very high89.8Confident49 Ų4964.6 Ų64.630%0.30135%0.346SS..  trans-139.4142.8-176.957.80000110.9N75 N137N75-T109 PolarHBondContact N-O 3.38Å; N75-T109 VanDerWaalsContact N-O 3.16Å; T109-N137 WeakPolarHBondContact CA-OD1 3.47Å
110L93.7Very high89.5Confident8 Ų870 Ų704%0.04236%0.364CS..EExtended strand (participates in β ladder)trans-117117.6173.3-61.3175000108.7I72 E73 T74 F85 V107 L133 F136 N137I72-L110 HydrophobicContact CD1-CD1 4.04Å; I72-L110 HydrophobicContact CD1-CD2 3.89Å; I72-L110 HydrophobicContact CD1-CG 4.39Å; E73-L110 WeakPolarHBondContact O-CA 3.49Å; T74-L110 HydrophobicContact CG2-CD2 3.79Å; F85-L110 HydrophobicContact CD1-CD1 3.74Å; F85-L110 HydrophobicContact CD1-CD2 4.14Å; F85-L110 HydrophobicContact CE1-CD1 3.66Å; F85-L110 HydrophobicContact CE1-CD2 3.83Å; F85-L110 HydrophobicContact CE1-CG 4.26Å; F85-L110 HydrophobicContact CZ-CD2 4.05Å; V107-L110 HydrophobicContact CG1-CD2 3.73Å; V107-L110 HydrophobicContact CG1-CG 4.43Å; L110-L133 HydrophobicContact CB-CD2 4.19Å; L110-L133 HydrophobicContact CD1-CD2 3.65Å; L110-F136 HydrophobicContact CB-CD1 4.4Å; L110-F136 HydrophobicContact CD1-CB 4.13Å; L110-F136 HydrophobicContact CD1-CD1 3.35Å; L110-F136 HydrophobicContact CD1-CD2 4.11Å; L110-F136 HydrophobicContact CD1-CE1 3.75Å; L110-F136 HydrophobicContact CD1-CE2 4.43Å; L110-F136 HydrophobicContact CD1-CG 3.57Å; L110-F136 HydrophobicContact CD1-CZ 4.28Å; L110-F136 HydrophobicContact CD2-CE1 4.34Å; L110-F136 HydrophobicContact CG-CD1 3.54Å; L110-F136 HydrophobicContact CG-CE1 3.59Å; L110-F136 HydrophobicContact CG-CG 4.29Å; L110-F136 HydrophobicContact CG-CZ 4.35Å; L110-N137 PolarHBondContact N-OD1 3.45Å; L110-N137 PolarHBondContact O-ND2 2.99Å
111T93.5Very high88.8Confident82 Ų8277.7 Ų77.750%0.50340%0.4SS..EExtended strand (participates in β ladder)trans-92.9134.8172.5-56.10000108.7I72 E73 L113I72-T111 CarbonylContact C-O 3.52Å; I72-T111 VanDerWaalsContact CA-O 3.26Å; I72-T111 WeakPolarHBondContact CA-O 3.45Å; E73-T111 PolarHBondContact N-O 3.5Å; E73-T111 PolarHBondContact O-N 3.03Å; T111-L113 HydrophobicContact CG2-CD1 4.24Å
112K93Very high88.1Confident123 Ų12378.6 Ų78.654%0.53540%0.4SS..EExtended strand (participates in β ladder)trans-85.5133.9174.559.3-177.1-174.11740110.5F114 E130K112-F114 HydrophobicContact CB-CD1 4.22Å; K112-F114 HydrophobicContact CB-CD2 4.42Å; K112-F114 HydrophobicContact CB-CE1 3.92Å; K112-F114 HydrophobicContact CB-CE2 4.15Å; K112-F114 HydrophobicContact CB-CG 4.45Å; K112-F114 HydrophobicContact CB-CZ 3.89Å; K112-F114 HydrophobicContact CD-CD2 4.42Å; K112-F114 HydrophobicContact CD-CE2 4.19Å; K112-E130 IonicContact NZ-OE1 3.55Å; K112-E130 PolarHBondContact NZ-OE1 3.28Å
113L91.4Very high87.8Confident62 Ų6277.7 Ų77.733%0.32540%0.403SS..  trans-127.253.6175.7-68.994.4000109.8M71 E73 T111M71-L113 HydrophobicContact CB-CB 4.42Å; M71-L113 HydrophobicContact CE-CB 3.47Å; M71-L113 VanDerWaalsContact CE-CB 3.47Å; M71-L113 HydrophobicContact CE-CD1 4.35Å; M71-L113 HydrophobicContact CE-CD2 3.7Å; M71-L113 HydrophobicContact CE-CG 4.03Å; M71-L113 PolarHBondContact O-N 2.85Å; E73-L113 HydrophobicContact CB-CD1 3.33Å; T111-L113 HydrophobicContact CG2-CD1 4.24Å
114F90.5Very high87.8Confident36 Ų3680.5 Ų80.516%0.15842%0.418CS..  trans-72.8142.5-179.6-55.2-18.9000110.6L70 I72 K112 E118 R126 I129 E130 L133L70-F114 HydrophobicContact CB-CD1 3.95Å; L70-F114 HydrophobicContact CB-CE1 3.68Å; L70-F114 HydrophobicContact CB-CZ 4.25Å; L70-F114 HydrophobicContact CD2-CB 4.3Å; L70-F114 HydrophobicContact CD2-CD1 3.76Å; L70-F114 HydrophobicContact CD2-CD2 3.9Å; L70-F114 HydrophobicContact CD2-CE1 3.99Å; L70-F114 HydrophobicContact CD2-CE2 4.1Å; L70-F114 HydrophobicContact CD2-CG 3.72Å; L70-F114 HydrophobicContact CD2-CZ 4.15Å; L70-F114 HydrophobicContact CG-CD1 4.49Å; L70-F114 HydrophobicContact CG-CE1 4.46Å; L70-F114 WeakPolarHBondContact O-CE1 3.33Å; I72-F114 HydrophobicContact CG2-CE1 4.4Å; K112-F114 HydrophobicContact CB-CD1 4.22Å; K112-F114 HydrophobicContact CB-CD2 4.42Å; K112-F114 HydrophobicContact CB-CE1 3.92Å; K112-F114 HydrophobicContact CB-CE2 4.15Å; K112-F114 HydrophobicContact CB-CG 4.45Å; K112-F114 HydrophobicContact CB-CZ 3.89Å; K112-F114 HydrophobicContact CD-CD2 4.42Å; K112-F114 HydrophobicContact CD-CE2 4.19Å; F114-E118 VanDerWaalsContact CA-OE2 3.3Å; F114-E118 WeakPolarHBondContact CA-OE2 3.32Å; F114-E118 HydrophobicContact CB-CB 4.49Å; F114-R126 HydrophobicContact CD2-CG 4.36Å; F114-R126 HydrophobicContact CE2-CG 4.16Å; F114-I129 HydrophobicContact CZ-CG2 4.19Å; F114-E130 HydrophobicContact CE2-CG 3.91Å; F114-L133 HydrophobicContact CZ-CD1 3.89Å
115T86.8Confident87.7Confident60 Ų6074.9 Ų74.937%0.36840%0.397SS..  trans-75.4162.9177.672.30000111.1E117 E118 L119T115-E117 PolarHBondContact O-N 3.25Å; T115-E118 PolarHBondContact N-OE2 3.05Å; T115-E118 PolarHBondContact O-N 2.99Å; T115-E118 VanDerWaalsContact OG1-CG 3.29Å; T115-E118 WeakPolarHBondContact OG1-CG 3.47Å; T115-E118 PolarHBondContact OG1-N 3.45Å; T115-L119 PolarHBondContact O-N 2.64Å; T115-L119 VanDerWaalsContact O-N 3.12Å
116A87.2Confident87.9Confident74 Ų7476.1 Ų76.161%0.61240%0.395SS*.Hα-helixtrans-60.9-34176.200000112.1L119 Q120A116-L119 PolarHBondContact O-N 2.79Å; A116-Q120 WeakPolarHBondContact O-CG 3.45Å
117E85.3Confident88Confident155 Ų15576.5 Ų76.572%0.72440%0.404SS*.Hα-helixtrans-67.8-46.7177.6-62.4174-175.100111.3T115 L119 Q120 H121T115-E117 PolarHBondContact O-N 3.25Å; E117-L119 PolarHBondContact O-N 3.49Å; E117-Q120 PolarHBondContact O-N 3.22Å; E117-H121 PolarHBondContact O-N 2.85Å; E117-H121 VanDerWaalsContact O-N 3.14Å
118E86.5Confident88.1Confident36 Ų3683.6 Ų83.617%0.16844%0.435CS..Hα-helixtrans-61.3-32.7176.8-73.4175.1157.300112.5L70 F114 T115 Q120L70-E118 HydrophobicContact CD2-CB 3.92Å; L70-E118 HydrophobicContact CD2-CG 4.27Å; L70-E118 PolarHBondContact N-OE1 3.5Å; F114-E118 VanDerWaalsContact CA-OE2 3.3Å; F114-E118 WeakPolarHBondContact CA-OE2 3.32Å; F114-E118 HydrophobicContact CB-CB 4.49Å; T115-E118 PolarHBondContact N-OE2 3.05Å; T115-E118 PolarHBondContact O-N 2.99Å; T115-E118 VanDerWaalsContact OG1-CG 3.29Å; T115-E118 WeakPolarHBondContact OG1-CG 3.47Å; T115-E118 PolarHBondContact OG1-N 3.45Å; E118-Q120 PolarHBondContact O-N 2.75Å
119L85.2Confident88.3Confident105 Ų10583.6 Ų83.655%0.5544%0.435SS..Hα-helixtrans-67.8-25.6177.7-167.162.5000112.4T115 A116 E117T115-L119 PolarHBondContact O-N 2.64Å; T115-L119 VanDerWaalsContact O-N 3.12Å; A116-L119 PolarHBondContact O-N 2.79Å; E117-L119 PolarHBondContact O-N 3.49Å
120Q84.5Confident88.4Confident171 Ų17182.5 Ų82.580%0.79943%0.426SS*.Hα-helixtrans-94.6-35.2-176.2-67.5177.98.200113.6A116 E117 E118A116-Q120 WeakPolarHBondContact O-CG 3.45Å; E117-Q120 PolarHBondContact O-N 3.22Å; E118-Q120 PolarHBondContact O-N 2.75Å
121H77.6Confident88.4Confident164 Ų16484.1 Ų84.176%0.75944%0.441SS*.Hα-helixtrans-91.4-31-162.9-156-102000115.4E117E117-H121 PolarHBondContact O-N 2.85Å; E117-H121 VanDerWaalsContact O-N 3.14Å
122E75Confident88.3Confident74 Ų7481.5 Ų81.535%0.34642%0.424SS..  trans-127.274.4-166.9-65.1-169160.800114.6T124 R125 R126E122-T124 PolarHBondContact O-N 3.49Å; E122-R125 IonicContact OE1-NH1 2.88Å; E122-R125 WeakPolarHBondContact OE2-CD 3.4Å; E122-R125 IonicContact OE2-NH1 3.27Å; E122-R125 PolarHBondContact OE2-NH1 3.36Å; E122-R126 WeakPolarHBondContact O-CB 3.08Å; E122-R126 PolarHBondContact O-N 2.95Å; E122-R126 VanDerWaalsContact O-N 3.15Å
123S83.5Confident88.3Confident83 Ų8376.1 Ų76.158%0.5840%0.4SS*.Hα-helixtrans-64.6-44.5-17267.90000115S127S123-S127 WeakPolarHBondContact O-CB 3.32Å; S123-S127 PolarHBondContact O-N 3.36Å
124T90.2Very high88.3Confident116 Ų11679.4 Ų79.471%0.71241%0.409SS*.Hα-helixtrans-75.9-47.9-173.654.30000112.5E122 S127 K128E122-T124 PolarHBondContact O-N 3.49Å; T124-S127 WeakPolarHBondContact O-CB 3.43Å; T124-S127 PolarHBondContact O-N 2.92Å; T124-K128 PolarHBondContact O-N 3.5Å; T124-K128 VanDerWaalsContact O-N 3.15Å
125R89.1Confident88.2Confident93 Ų9378.9 Ų78.935%0.35141%0.407SS..Hα-helixtrans-60.5-49.3176.5-174.1-178.9179.9-166.93.4111E83 E122 S127 K128 I129E83-R125 VanDerWaalsContact CD-NH2 3.27Å; E83-R125 IonicContact OE1-CZ 3.72Å; E83-R125 IonicContact OE1-NE 3.8Å; E83-R125 PolarHBondContact OE1-NE 2.83Å; E83-R125 IonicContact OE1-NH2 2.79Å; E83-R125 PolarHBondContact OE1-NH2 2.8Å; E83-R125 IonicContact OE2-CZ 3.75Å; E83-R125 IonicContact OE2-NE 3.42Å; E83-R125 IonicContact OE2-NH2 3.43Å; E83-R125 PolarHBondContact OE2-NH2 3.28Å; E122-R125 IonicContact OE1-NH1 2.88Å; E122-R125 WeakPolarHBondContact OE2-CD 3.4Å; E122-R125 IonicContact OE2-NH1 3.27Å; E122-R125 PolarHBondContact OE2-NH1 3.36Å; R125-S127 PolarHBondContact O-N 3.16Å; R125-K128 PolarHBondContact O-N 3.45Å; R125-I129 HydrophobicContact CG-CD1 4.09Å; R125-I129 PolarHBondContact O-N 3.26Å; R125-I129 VanDerWaalsContact O-N 3.09Å
126R91Very high88.3Confident47 Ų4776 Ų7618%0.17739%0.39CS..Hα-helixtrans-59.6-43.9175.8-173.4-173.163.269.16.9112L70 F114 E122 K128 I129 E130L70-R126 HydrophobicContact CD2-CG 4.28Å; F114-R126 HydrophobicContact CD2-CG 4.36Å; F114-R126 HydrophobicContact CE2-CG 4.16Å; E122-R126 WeakPolarHBondContact O-CB 3.08Å; E122-R126 PolarHBondContact O-N 2.95Å; E122-R126 VanDerWaalsContact O-N 3.15Å; R126-K128 VanDerWaalsContact C-N 3.32Å; R126-K128 PolarHBondContact O-N 3.15Å; R126-I129 PolarHBondContact O-N 3.33Å; R126-E130 HydrophobicContact CG-CG 4.3Å; R126-E130 IonicContact NH1-OE1 3.64Å; R126-E130 PolarHBondContact NH1-OE1 2.62Å; R126-E130 IonicContact NH1-OE2 2.71Å; R126-E130 PolarHBondContact NH1-OE2 2.9Å; R126-E130 WeakPolarHBondContact O-CB 3.37Å; R126-E130 WeakPolarHBondContact O-CG 3.48Å; R126-E130 PolarHBondContact O-N 2.8Å
127S92.4Very high88.4Confident63 Ų6374.5 Ų74.544%0.44137%0.371SS..Hα-helixtrans-55.1-45.9177.2160.60000112.4S123 T124 R125 E130 A131S123-S127 WeakPolarHBondContact O-CB 3.32Å; S123-S127 PolarHBondContact O-N 3.36Å; T124-S127 WeakPolarHBondContact O-CB 3.43Å; T124-S127 PolarHBondContact O-N 2.92Å; R125-S127 PolarHBondContact O-N 3.16Å; S127-E130 PolarHBondContact O-N 2.98Å; S127-A131 PolarHBondContact O-N 3.38Å
128K93.7Very high88.4Confident148 Ų14871 Ų7164%0.64335%0.352SS*.Hα-helixtrans-65.2-45.1178.8-167.5178.6-176.1-179.90111.7T124 R125 R126 A131 D132T124-K128 PolarHBondContact O-N 3.5Å; T124-K128 VanDerWaalsContact O-N 3.15Å; R125-K128 PolarHBondContact O-N 3.45Å; R126-K128 VanDerWaalsContact C-N 3.32Å; R126-K128 PolarHBondContact O-N 3.15Å; K128-A131 WeakPolarHBondContact O-CB 3.49Å; K128-A131 PolarHBondContact O-N 3.46Å; K128-D132 PolarHBondContact O-N 3.03Å
129I93.3Very high88Confident7 Ų770.6 Ų70.64%0.03635%0.348CS..Hα-helixtrans-61.5-46.4176.2-74.6165000111.1L70 A82 E83 I86 F114 R125 R126 A131 D132 L133L70-I129 HydrophobicContact CD1-CD1 3.26Å; A82-I129 HydrophobicContact CB-CG2 3.4Å; E83-I129 HydrophobicContact CG-CD1 3.61Å; E83-I129 HydrophobicContact CG-CG1 4.07Å; I86-I129 HydrophobicContact CD1-CG1 4.42Å; I86-I129 HydrophobicContact CD1-CG2 4.17Å; F114-I129 HydrophobicContact CZ-CG2 4.19Å; R125-I129 HydrophobicContact CG-CD1 4.09Å; R125-I129 PolarHBondContact O-N 3.26Å; R125-I129 VanDerWaalsContact O-N 3.09Å; R126-I129 PolarHBondContact O-N 3.33Å; I129-A131 VanDerWaalsContact C-N 3.27Å; I129-A131 PolarHBondContact O-N 3.36Å; I129-D132 PolarHBondContact O-N 2.92Å; I129-L133 HydrophobicContact CG2-CD1 3.88Å; I129-L133 HydrophobicContact CG2-CG 4.24Å; I129-L133 VanDerWaalsContact O-CG 3.29Å; I129-L133 WeakPolarHBondContact O-CG 3.46Å; I129-L133 PolarHBondContact O-N 2.94Å
130E93.9Very high88Confident25 Ų2566.3 Ų66.312%0.11733%0.326CS..Hα-helixtrans-63.2-34.5177.6-74.4-170.315900112.4K112 F114 R126 S127 R134K112-E130 IonicContact NZ-OE1 3.55Å; K112-E130 PolarHBondContact NZ-OE1 3.28Å; F114-E130 HydrophobicContact CE2-CG 3.91Å; R126-E130 HydrophobicContact CG-CG 4.3Å; R126-E130 IonicContact NH1-OE1 3.64Å; R126-E130 PolarHBondContact NH1-OE1 2.62Å; R126-E130 IonicContact NH1-OE2 2.71Å; R126-E130 PolarHBondContact NH1-OE2 2.9Å; R126-E130 WeakPolarHBondContact O-CB 3.37Å; R126-E130 WeakPolarHBondContact O-CG 3.48Å; R126-E130 PolarHBondContact O-N 2.8Å; S127-E130 PolarHBondContact O-N 2.98Å; E130-R134 WeakPolarHBondContact O-CB 3.49Å; E130-R134 VanDerWaalsContact O-CG 3.26Å; E130-R134 WeakPolarHBondContact O-CG 3.31Å; E130-R134 PolarHBondContact O-N 3.5Å; E130-R134 IonicContact OE2-NH1 3.44Å
131A92.2Very high87.9Confident42 Ų4260 Ų6035%0.34730%0.3SS..Hα-helixtrans-64-45.9173.700000111.5S127 K128 I129 R134 L135S127-A131 PolarHBondContact O-N 3.38Å; K128-A131 WeakPolarHBondContact O-CB 3.49Å; K128-A131 PolarHBondContact O-N 3.46Å; I129-A131 VanDerWaalsContact C-N 3.27Å; I129-A131 PolarHBondContact O-N 3.36Å; A131-R134 PolarHBondContact O-N 3.26Å; A131-L135 WeakPolarHBondContact O-CB 3.36Å; A131-L135 PolarHBondContact O-N 2.93Å
132D92.2Very high87.7Confident28 Ų2853.1 Ų53.115%0.1527%0.274CS..Hα-helixtrans-62.9-41.9175.9-77.6-22000111.7I86 W89 K90 K128 I129 L135 F136I86-D132 HydrophobicContact CD1-CB 3.66Å; I86-D132 HydrophobicContact CG1-CB 4.11Å; I86-D132 HydrophobicContact CG2-CB 4.18Å; W89-D132 HydrophobicContact CZ3-CB 4.43Å; K90-D132 IonicContact NZ-OD1 2.73Å; K90-D132 PolarHBondContact NZ-OD1 3.44Å; K90-D132 IonicContact NZ-OD2 3.67Å; K90-D132 PolarHBondContact NZ-OD2 2.86Å; K128-D132 PolarHBondContact O-N 3.03Å; I129-D132 PolarHBondContact O-N 2.92Å; D132-L135 WeakPolarHBondContact O-CB 3.37Å; D132-L135 PolarHBondContact O-N 3.31Å; D132-F136 PolarHBondContact O-N 3.37Å
133L92.6Very high87.8Confident9 Ų955.7 Ų55.75%0.04729%0.286CS..Hα-helixtrans-65.3-40.7176.3-68.4175.5000112.4I72 I86 L110 F114 I129 L135 F136 N137I72-L133 HydrophobicContact CD1-CD2 4.24Å; I72-L133 HydrophobicContact CG2-CD1 3.82Å; I72-L133 HydrophobicContact CG2-CD2 3.89Å; I86-L133 HydrophobicContact CD1-CD2 4.4Å; I86-L133 HydrophobicContact CD1-CG 4.46Å; L110-L133 HydrophobicContact CB-CD2 4.19Å; L110-L133 HydrophobicContact CD1-CD2 3.65Å; F114-L133 HydrophobicContact CZ-CD1 3.89Å; I129-L133 HydrophobicContact CG2-CD1 3.88Å; I129-L133 HydrophobicContact CG2-CG 4.24Å; I129-L133 VanDerWaalsContact O-CG 3.29Å; I129-L133 WeakPolarHBondContact O-CG 3.46Å; I129-L133 PolarHBondContact O-N 2.94Å; L133-L135 VanDerWaalsContact C-N 3.32Å; L133-F136 PolarHBondContact O-N 3Å; L133-N137 WeakPolarHBondContact O-CB 3.45Å; L133-N137 PolarHBondContact O-N 3.16Å; L133-N137 PolarHBondContact O-ND2 3.2Å
134R90.8Very high87.2Confident132 Ų13256.9 Ų56.950%0.49829%0.292SS..Hα-helixtrans-62.3-41.9173.8-78.1-173.3-61.9-97.30.2111.1E130 A131 R138E130-R134 WeakPolarHBondContact O-CB 3.49Å; E130-R134 VanDerWaalsContact O-CG 3.26Å; E130-R134 WeakPolarHBondContact O-CG 3.31Å; E130-R134 PolarHBondContact O-N 3.5Å; E130-R134 IonicContact OE2-NH1 3.44Å; A131-R134 PolarHBondContact O-N 3.26Å; R134-R138 VanDerWaalsContact O-CB 3.24Å; R134-R138 WeakPolarHBondContact O-CB 3.22Å; R134-R138 PolarHBondContact O-N 3.35Å
135L88.6Confident86.5Confident24 Ų2453.6 Ų53.613%0.12627%0.269CS..Hα-helixtrans-63.6-46.5177.5-175.862.4000111.3W89 A131 D132 L133 R138 W139 L156W89-L135 HydrophobicContact CH2-CB 4.12Å; W89-L135 HydrophobicContact CH2-CD2 3.87Å; W89-L135 HydrophobicContact CH2-CG 3.86Å; A131-L135 WeakPolarHBondContact O-CB 3.36Å; A131-L135 PolarHBondContact O-N 2.93Å; D132-L135 WeakPolarHBondContact O-CB 3.37Å; D132-L135 PolarHBondContact O-N 3.31Å; L133-L135 VanDerWaalsContact C-N 3.32Å; L135-R138 WeakPolarHBondContact O-CB 3.23Å; L135-R138 PolarHBondContact O-N 2.84Å; L135-W139 HydrophobicContact CD1-CD2 4.43Å; L135-W139 HydrophobicContact CD1-CH2 4.5Å; L135-W139 HydrophobicContact CD1-CZ2 3.67Å; L135-W139 HydrophobicContact CD2-CZ2 4.45Å; L135-W139 HydrophobicContact CG-CZ2 4.2Å; L135-W139 PolarHBondContact O-N 3.28Å; L135-W139 VanDerWaalsContact O-N 3.15Å; L135-L156 HydrophobicContact CD2-CD2 3.74Å
136F88.9Confident86Confident1 Ų151.7 Ų51.70%0.00427%0.27CS..Hα-helixtrans-57.2-54.3175-178.7-82.1000111.6F85 W89 I98 V107 L110 D132 L133 R138 W139 H140F85-F136 HydrophobicContact CE1-CD2 4.28Å; F85-F136 AromaticContact CE1-CE2 3.76Å; F85-F136 HydrophobicContact CE1-CE2 3.76Å; F85-F136 AromaticContact CE1-CZ 4Å; F85-F136 HydrophobicContact CE1-CZ 4Å; F85-F136 HydrophobicContact CZ-CE2 4.34Å; F85-F136 HydrophobicContact CZ-CZ 4.29Å; W89-F136 HydrophobicContact CB-CD2 4.48Å; W89-F136 AromaticContact CD1-CD2 3.9Å; W89-F136 AromaticContact CD1-CE2 3.98Å; W89-F136 AromaticContact CD2-CD2 3.67Å; W89-F136 HydrophobicContact CD2-CD2 3.67Å; W89-F136 HydrophobicContact CD2-CE2 4.44Å; W89-F136 AromaticContact CE2-CD2 3.74Å; W89-F136 HydrophobicContact CE3-CB 4.38Å; W89-F136 HydrophobicContact CE3-CD2 4.17Å; W89-F136 AromaticContact CG-CD2 3.78Å; W89-F136 HydrophobicContact CG-CD2 3.78Å; W89-F136 HydrophobicContact CG-CE2 4.1Å; W89-F136 HydrophobicContact CH2-CB 4.09Å; W89-F136 HydrophobicContact CZ2-CB 4.3Å; W89-F136 HydrophobicContact CZ2-CD2 4.3Å; W89-F136 HydrophobicContact CZ3-CB 4.13Å; W89-F136 AromaticContact NE1-CD2 3.85Å; I98-F136 HydrophobicContact CB-CE2 4.25Å; I98-F136 HydrophobicContact CB-CZ 4.4Å; I98-F136 HydrophobicContact CG1-CE2 4.02Å; I98-F136 HydrophobicContact CG2-CE2 4.25Å; V107-F136 HydrophobicContact CB-CZ 4.19Å; V107-F136 HydrophobicContact CG1-CE1 3.95Å; V107-F136 HydrophobicContact CG1-CZ 3.76Å; L110-F136 HydrophobicContact CB-CD1 4.4Å; L110-F136 HydrophobicContact CD1-CB 4.13Å; L110-F136 HydrophobicContact CD1-CD1 3.35Å; L110-F136 HydrophobicContact CD1-CD2 4.11Å; L110-F136 HydrophobicContact CD1-CE1 3.75Å; L110-F136 HydrophobicContact CD1-CE2 4.43Å; L110-F136 HydrophobicContact CD1-CG 3.57Å; L110-F136 HydrophobicContact CD1-CZ 4.28Å; L110-F136 HydrophobicContact CD2-CE1 4.34Å; L110-F136 HydrophobicContact CG-CD1 3.54Å; L110-F136 HydrophobicContact CG-CE1 3.59Å; L110-F136 HydrophobicContact CG-CG 4.29Å; L110-F136 HydrophobicContact CG-CZ 4.35Å; D132-F136 PolarHBondContact O-N 3.37Å; L133-F136 PolarHBondContact O-N 3Å; F136-R138 VanDerWaalsContact C-N 3.27Å; F136-R138 PolarHBondContact O-N 3.44Å; F136-W139 PolarHBondContact O-N 2.79Å; F136-W139 VanDerWaalsContact O-N 3.16Å; F136-H140 HydrophobicContact CD1-CB 4.39Å; F136-H140 AromaticContact CD2-CD2 3.51Å; F136-H140 HydrophobicContact CE1-CB 3.94Å; F136-H140 AromaticContact CE2-CD2 3.42Å; F136-H140 VanDerWaalsContact CE2-CD2 3.42Å; F136-H140 WeakPolarHBondContact CE2-CD2 3.15Å; F136-H140 AromaticContact CE2-NE2 3.88Å; F136-H140 AromaticContact CG-CD2 3.87Å; F136-H140 HydrophobicContact CZ-CB 4.12Å; F136-H140 AromaticContact CZ-CD2 3.68Å; F136-H140 AromaticContact CZ-CG 3.99Å; F136-H140 WeakPolarHBondContact O-CB 3.43Å; F136-H140 PolarHBondContact O-CD2 2.99Å; F136-H140 PolarHBondContact O-N 2.87Å
137N89.7Confident85.4Confident42 Ų4255.1 Ų55.123%0.22529%0.291CS..Hα-helixtrans-61.4-38-178-78.6-26.7000111.5T109 L110 L133 W139 S141T109-N137 WeakPolarHBondContact CA-OD1 3.47Å; L110-N137 PolarHBondContact N-OD1 3.45Å; L110-N137 PolarHBondContact O-ND2 2.99Å; L133-N137 WeakPolarHBondContact O-CB 3.45Å; L133-N137 PolarHBondContact O-N 3.16Å; L133-N137 PolarHBondContact O-ND2 3.2Å; N137-W139 PolarHBondContact O-N 3.29Å; N137-S141 WeakPolarHBondContact O-CB 3.44Å; N137-S141 PolarHBondContact O-N 3.49Å; N137-S141 PolarHBondContact O-OG 3.21Å
138R84.8Confident84.9Confident82 Ų8257.5 Ų57.531%0.30930%0.297SS..Hα-helixtrans-58.2-47.5175.4-176.6-174.8-63.1165.4-1.8111.3R134 L135 F136 I145 D153R134-R138 VanDerWaalsContact O-CB 3.24Å; R134-R138 WeakPolarHBondContact O-CB 3.22Å; R134-R138 PolarHBondContact O-N 3.35Å; L135-R138 WeakPolarHBondContact O-CB 3.23Å; L135-R138 PolarHBondContact O-N 2.84Å; F136-R138 VanDerWaalsContact C-N 3.27Å; F136-R138 PolarHBondContact O-N 3.44Å; R138-I145 HydrophobicContact CG-CB 4.43Å; R138-I145 HydrophobicContact CG-CD1 3.88Å; R138-I145 HydrophobicContact CG-CG1 3.8Å; R138-I145 HydrophobicContact CG-CG2 3.74Å; R138-I145 WeakPolarHBondContact O-CD1 3.33Å; R138-I145 WeakPolarHBondContact O-CG1 3.24Å; R138-D153 IonicContact NH1-OD1 3.55Å; R138-D153 IonicContact NH1-OD2 2.86Å
139W80.1Confident84.2Confident26 Ų2652.6 Ų52.610%0.09828%0.278CS..Hα-helixtrans-78.9-32.4-175.8-691.1000114.2P38 W89 L135 F136 N137 D153 L156 F157P38-W139 WeakPolarHBondContact CG-O 3.34Å; W89-W139 HydrophobicContact CZ2-CE3 4.1Å; W89-W139 HydrophobicContact CZ2-CZ3 4.13Å; L135-W139 HydrophobicContact CD1-CD2 4.43Å; L135-W139 HydrophobicContact CD1-CH2 4.5Å; L135-W139 HydrophobicContact CD1-CZ2 3.67Å; L135-W139 HydrophobicContact CD2-CZ2 4.45Å; L135-W139 HydrophobicContact CG-CZ2 4.2Å; L135-W139 PolarHBondContact O-N 3.28Å; L135-W139 VanDerWaalsContact O-N 3.15Å; F136-W139 PolarHBondContact O-N 2.79Å; F136-W139 VanDerWaalsContact O-N 3.16Å; N137-W139 PolarHBondContact O-N 3.29Å; W139-D153 HydrophobicContact CZ2-CB 3.73Å; W139-D153 PolarHBondContact NE1-OD2 3.27Å; W139-L156 HydrophobicContact CH2-CD2 3.78Å; W139-L156 HydrophobicContact CH2-CG 4.46Å; W139-L156 HydrophobicContact CZ2-CD2 4.44Å; W139-F157 HydrophobicContact CD2-CE2 4.26Å; W139-F157 AromaticContact CD2-CZ 3.74Å; W139-F157 HydrophobicContact CD2-CZ 3.74Å; W139-F157 AromaticContact CE2-CE2 3.69Å; W139-F157 AromaticContact CE2-CZ 3.66Å; W139-F157 HydrophobicContact CE3-CE1 4Å; W139-F157 HydrophobicContact CE3-CE2 4.28Å; W139-F157 AromaticContact CE3-CZ 3.43Å; W139-F157 HydrophobicContact CE3-CZ 3.43Å; W139-F157 VanDerWaalsContact CE3-CZ 3.43Å; W139-F157 HydrophobicContact CH2-CD1 4.19Å; W139-F157 AromaticContact CH2-CD2 3.91Å; W139-F157 HydrophobicContact CH2-CD2 3.91Å; W139-F157 AromaticContact CH2-CE1 3.5Å; W139-F157 HydrophobicContact CH2-CE1 3.5Å; W139-F157 AromaticContact CH2-CE2 3.17Å; W139-F157 HydrophobicContact CH2-CE2 3.17Å; W139-F157 HydrophobicContact CH2-CG 4.38Å; W139-F157 AromaticContact CH2-CZ 2.96Å; W139-F157 HydrophobicContact CH2-CZ 2.96Å; W139-F157 HydrophobicContact CZ2-CD2 4.06Å; W139-F157 HydrophobicContact CZ2-CE1 4.3Å; W139-F157 AromaticContact CZ2-CE2 3.15Å; W139-F157 HydrophobicContact CZ2-CE2 3.15Å; W139-F157 AromaticContact CZ2-CZ 3.34Å; W139-F157 HydrophobicContact CZ2-CZ 3.34Å; W139-F157 HydrophobicContact CZ3-CD1 4.32Å; W139-F157 AromaticContact CZ3-CE1 3.33Å; W139-F157 HydrophobicContact CZ3-CE1 3.33Å; W139-F157 AromaticContact CZ3-CE2 3.78Å; W139-F157 HydrophobicContact CZ3-CE2 3.78Å; W139-F157 AromaticContact CZ3-CZ 3.02Å; W139-F157 HydrophobicContact CZ3-CZ 3.02Å
140H84.6Confident83.3Confident16 Ų1654.1 Ų54.17%0.07428%0.283CS..Hα-helixtrans-105.6-16.6-170-64.7-69.7000115.1W89 S108 F136 G142W89-H140 AromaticContact NE1-NE2 3.46Å; W89-H140 PolarHBondContact NE1-NE2 3.46Å; S108-H140 WeakPolarHBondContact CA-O 3.39Å; S108-H140 WeakPolarHBondContact CB-O 3.32Å; S108-H140 CarbonylContact O-C 3.25Å; F136-H140 HydrophobicContact CD1-CB 4.39Å; F136-H140 AromaticContact CD2-CD2 3.51Å; F136-H140 HydrophobicContact CE1-CB 3.94Å; F136-H140 AromaticContact CE2-CD2 3.42Å; F136-H140 VanDerWaalsContact CE2-CD2 3.42Å; F136-H140 WeakPolarHBondContact CE2-CD2 3.15Å; F136-H140 AromaticContact CE2-NE2 3.88Å; F136-H140 AromaticContact CG-CD2 3.87Å; F136-H140 HydrophobicContact CZ-CB 4.12Å; F136-H140 AromaticContact CZ-CD2 3.68Å; F136-H140 AromaticContact CZ-CG 3.99Å; F136-H140 WeakPolarHBondContact O-CB 3.43Å; F136-H140 PolarHBondContact O-CD2 2.99Å; F136-H140 PolarHBondContact O-N 2.87Å; H140-G142 PolarHBondContact O-N 3.45Å
141S82.4Confident82.5Confident37 Ų3757.7 Ų57.726%0.25930%0.302SS..SBendtrans-68.6-21.2-17860.40000113.9S108 N137 E143S108-S141 VanDerWaalsContact O-CA 3.26Å; S108-S141 WeakPolarHBondContact O-CA 3Å; S108-S141 PolarHBondContact O-N 2.9Å; S108-S141 VanDerWaalsContact O-N 3.08Å; N137-S141 WeakPolarHBondContact O-CB 3.44Å; N137-S141 PolarHBondContact O-N 3.49Å; N137-S141 PolarHBondContact O-OG 3.21Å; S141-E143 PolarHBondContact O-N 2.9Å; S141-E143 WeakPolarHBondContact OG-CB 3.44Å; S141-E143 PolarHBondContact OG-N 3.05Å
142G72.6Confident81.9Confident20 Ų2062.2 Ų62.221%0.20631%0.314CS..  trans77.76.2-173.900000114.1H140H140-G142 PolarHBondContact O-N 3.45Å
143E76.9Confident81.1Confident129 Ų12961.8 Ų61.860%0.60331%0.312SS*.PPolyproline II helixtrans-67142.2171.6-167.960.6-15400110.2S141 I145S141-E143 PolarHBondContact O-N 2.9Å; S141-E143 WeakPolarHBondContact OG-CB 3.44Å; S141-E143 PolarHBondContact OG-N 3.05Å; E143-I145 PolarHBondContact O-N 3.16Å
144P72.2Confident80.4Confident108 Ų10864.4 Ų64.470%0.70133%0.325SS*.PPolyproline II helixtrans-54.9121.8170.421.9-35.6000111.6
145I74.1Confident79.7Confident47 Ų4762.1 Ų62.124%0.24133%0.327CS..PPolyproline II helixtrans-98.5142175.5-47.4163000108.4R138 E143 D149R138-I145 HydrophobicContact CG-CB 4.43Å; R138-I145 HydrophobicContact CG-CD1 3.88Å; R138-I145 HydrophobicContact CG-CG1 3.8Å; R138-I145 HydrophobicContact CG-CG2 3.74Å; R138-I145 WeakPolarHBondContact O-CD1 3.33Å; R138-I145 WeakPolarHBondContact O-CG1 3.24Å; E143-I145 PolarHBondContact O-N 3.16Å; I145-D149 HydrophobicContact CG2-CB 3.95Å
146S79.2Confident78.9Confident52 Ų5264.5 Ų64.536%0.36434%0.34SS..PPolyproline II helixtrans-63.2145.6171.282.80000111.3I148 D149 R150S146-I148 PolarHBondContact O-N 3.37Å; S146-D149 PolarHBondContact O-N 3.41Å; S146-D149 WeakPolarHBondContact OG-CB 3.37Å; S146-D149 PolarHBondContact OG-N 2.76Å; S146-D149 VanDerWaalsContact OG-N 3.1Å; S146-D149 PolarHBondContact OG-OD2 2.98Å; S146-R150 PolarHBondContact O-N 2.86Å
147I77.6Confident78Confident120 Ų12067.4 Ų67.462%0.61535%0.353SS*.Hα-helixtrans-60.6-35.6177.7-62167.4000110.5R150 I151I147-R150 WeakPolarHBondContact O-CB 3.07Å; I147-R150 PolarHBondContact O-N 3.23Å; I147-I151 HydrophobicContact CG2-CD1 4.04Å; I147-I151 HydrophobicContact CG2-CG1 4.48Å; I147-I151 WeakPolarHBondContact O-CG1 3.44Å; I147-I151 PolarHBondContact O-N 2.77Å
148I83.5Confident77.1Confident113 Ų11368.6 Ų68.658%0.57936%0.361SS*.Hα-helixtrans-63.3-46.2179.5-65.9160.6000110.7S146 R150 I151 K152S146-I148 PolarHBondContact O-N 3.37Å; I148-R150 VanDerWaalsContact C-N 3.28Å; I148-R150 PolarHBondContact O-N 3.3Å; I148-I151 PolarHBondContact O-N 2.71Å; I148-K152 HydrophobicContact CG2-CD 4.44Å; I148-K152 WeakPolarHBondContact O-CG 3.39Å; I148-K152 PolarHBondContact O-N 3.24Å
149D77.9Confident76.8Confident44 Ų4471.6 Ų71.624%0.23537%0.374CS..Hα-helixtrans-66.2-35.7176.9-64.2-39000111.1I145 S146 I151 K152 D153I145-D149 HydrophobicContact CG2-CB 3.95Å; S146-D149 PolarHBondContact O-N 3.41Å; S146-D149 WeakPolarHBondContact OG-CB 3.37Å; S146-D149 PolarHBondContact OG-N 2.76Å; S146-D149 VanDerWaalsContact OG-N 3.1Å; S146-D149 PolarHBondContact OG-OD2 2.98Å; D149-I151 VanDerWaalsContact C-N 3.29Å; D149-I151 PolarHBondContact O-N 3.2Å; D149-K152 PolarHBondContact O-N 3.5Å; D149-K152 IonicContact OD1-NZ 3.33Å; D149-D153 WeakPolarHBondContact O-CB 3.3Å; D149-D153 PolarHBondContact O-N 3.4Å
150R75.4Confident76.4Confident39 Ų3970.6 Ų70.615%0.14737%0.371CS..Hα-helixtrans-61-36.9173.3-17862.873.8118.111.8112.9Y34 S146 I147 I148Y34-R150 HydrophobicContact CE1-CG 3.76Å; Y34-R150 PolarHBondContact O-NH1 2.94Å; Y34-R150 VanDerWaalsContact OH-CD 3.31Å; Y34-R150 WeakPolarHBondContact OH-CD 3.46Å; Y34-R150 PolarHBondContact OH-O 3.38Å; S146-R150 PolarHBondContact O-N 2.86Å; I147-R150 WeakPolarHBondContact O-CB 3.07Å; I147-R150 PolarHBondContact O-N 3.23Å; I148-R150 VanDerWaalsContact C-N 3.28Å; I148-R150 PolarHBondContact O-N 3.3Å
151I76.8Confident75.6Confident100 Ų10074.1 Ų74.151%0.51339%0.386SS..Hα-helixtrans-72.1-42.8177.8-69.3169000111.1I147 I148 D149 D153 I154I147-I151 HydrophobicContact CG2-CD1 4.04Å; I147-I151 HydrophobicContact CG2-CG1 4.48Å; I147-I151 WeakPolarHBondContact O-CG1 3.44Å; I147-I151 PolarHBondContact O-N 2.77Å; I148-I151 PolarHBondContact O-N 2.71Å; D149-I151 VanDerWaalsContact C-N 3.29Å; D149-I151 PolarHBondContact O-N 3.2Å; I151-D153 PolarHBondContact O-N 2.93Å; I151-D153 VanDerWaalsContact O-N 3.11Å; I151-I154 HydrophobicContact CB-CD1 4.27Å; I151-I154 HydrophobicContact CG1-CD1 4.21Å; I151-I154 HydrophobicContact CG2-CD1 4.26Å; I151-I154 VanDerWaalsContact O-CB 3.3Å; I151-I154 WeakPolarHBondContact O-CB 3.43Å; I151-I154 WeakPolarHBondContact O-CG1 3.32Å; I151-I154 PolarHBondContact O-N 3.45Å
152K79.6Confident74.9Confident137 Ų13776.2 Ų76.260%0.59639%0.394SS*.Hα-helixtrans-57.3-27.9177.8-71.8172.7-175.5166.70112.9I148 D149 P155I148-K152 HydrophobicContact CG2-CD 4.44Å; I148-K152 WeakPolarHBondContact O-CG 3.39Å; I148-K152 PolarHBondContact O-N 3.24Å; D149-K152 PolarHBondContact O-N 3.5Å; D149-K152 IonicContact OD1-NZ 3.33Å; K152-P155 VanDerWaalsContact O-CD 3.3Å; K152-P155 WeakPolarHBondContact O-CD 3.39Å
153D75.8Confident74.9Confident19 Ų1979.2 Ų79.210%0.10240%0.403CS..THydrogen-bonded Turntrans-85-14.1-177.9-75.2-6000113.3R138 W139 D149 I151 P155 L156 F157R138-D153 IonicContact NH1-OD1 3.55Å; R138-D153 IonicContact NH1-OD2 2.86Å; W139-D153 HydrophobicContact CZ2-CB 3.73Å; W139-D153 PolarHBondContact NE1-OD2 3.27Å; D149-D153 WeakPolarHBondContact O-CB 3.3Å; D149-D153 PolarHBondContact O-N 3.4Å; I151-D153 PolarHBondContact O-N 2.93Å; I151-D153 VanDerWaalsContact O-N 3.11Å; D153-P155 VanDerWaalsContact C-CD 3.46Å; D153-L156 PolarHBondContact O-N 2.88Å; D153-F157 WeakPolarHBondContact O-CD2 3.3Å
154I76.1Confident74.6Confident65 Ų6575.7 Ų75.733%0.33339%0.388SS..Hα-helixtrans-55.8-44.7-179.2-69.2172.6000113.7Y34 I151 L156 F157 V158Y34-I154 VanDerWaalsContact OH-CG1 3.3Å; Y34-I154 WeakPolarHBondContact OH-CG1 3.4Å; I151-I154 HydrophobicContact CB-CD1 4.27Å; I151-I154 HydrophobicContact CG1-CD1 4.21Å; I151-I154 HydrophobicContact CG2-CD1 4.26Å; I151-I154 VanDerWaalsContact O-CB 3.3Å; I151-I154 WeakPolarHBondContact O-CB 3.43Å; I151-I154 WeakPolarHBondContact O-CG1 3.32Å; I151-I154 PolarHBondContact O-N 3.45Å; I154-L156 PolarHBondContact O-N 3.41Å; I154-L156 VanDerWaalsContact O-N 3.16Å; I154-F157 PolarHBondContact O-N 2.94Å; I154-V158 HydrophobicContact CG2-CG2 3.58Å; I154-V158 WeakPolarHBondContact O-CG2 3.49Å; I154-V158 PolarHBondContact O-N 3.5Å
155P76.6Confident74.1Confident84 Ų8471.8 Ų71.855%0.54536%0.361SS..Hα-helixtrans-57.9-33.6-175.8-25.835.4000113.5K152 D153 V158 Y159K152-P155 VanDerWaalsContact O-CD 3.3Å; K152-P155 WeakPolarHBondContact O-CD 3.39Å; D153-P155 VanDerWaalsContact C-CD 3.46Å; P155-V158 PolarHBondContact O-N 3.25Å; P155-Y159 WeakPolarHBondContact O-CB 3.3Å; P155-Y159 PolarHBondContact O-N 2.91Å
156L72.1Confident74Confident73 Ų7376 Ų7638%0.38238%0.383SS..Hα-helixtrans-65.7-42.3177.6-179.560.6000111.5L135 W139 D153 I154 G160L135-L156 HydrophobicContact CD2-CD2 3.74Å; W139-L156 HydrophobicContact CH2-CD2 3.78Å; W139-L156 HydrophobicContact CH2-CG 4.46Å; W139-L156 HydrophobicContact CZ2-CD2 4.44Å; D153-L156 PolarHBondContact O-N 2.88Å; I154-L156 PolarHBondContact O-N 3.41Å; I154-L156 VanDerWaalsContact O-N 3.16Å; L156-G160 PolarHBondContact O-N 3.04Å
157F70.7Confident73.5Confident63 Ų6376 Ų7628%0.27638%0.383SS..Hα-helixtrans-71.6-40.3176.4-68.1-70.4000112.7Y34 W139 D153 I154 Y159 G160 F161Y34-F157 HydrophobicContact CE2-CD2 4.18Å; Y34-F157 HydrophobicContact CE2-CE2 4.21Å; W139-F157 HydrophobicContact CD2-CE2 4.26Å; W139-F157 AromaticContact CD2-CZ 3.74Å; W139-F157 HydrophobicContact CD2-CZ 3.74Å; W139-F157 AromaticContact CE2-CE2 3.69Å; W139-F157 AromaticContact CE2-CZ 3.66Å; W139-F157 HydrophobicContact CE3-CE1 4Å; W139-F157 HydrophobicContact CE3-CE2 4.28Å; W139-F157 AromaticContact CE3-CZ 3.43Å; W139-F157 HydrophobicContact CE3-CZ 3.43Å; W139-F157 VanDerWaalsContact CE3-CZ 3.43Å; W139-F157 HydrophobicContact CH2-CD1 4.19Å; W139-F157 AromaticContact CH2-CD2 3.91Å; W139-F157 HydrophobicContact CH2-CD2 3.91Å; W139-F157 AromaticContact CH2-CE1 3.5Å; W139-F157 HydrophobicContact CH2-CE1 3.5Å; W139-F157 AromaticContact CH2-CE2 3.17Å; W139-F157 HydrophobicContact CH2-CE2 3.17Å; W139-F157 HydrophobicContact CH2-CG 4.38Å; W139-F157 AromaticContact CH2-CZ 2.96Å; W139-F157 HydrophobicContact CH2-CZ 2.96Å; W139-F157 HydrophobicContact CZ2-CD2 4.06Å; W139-F157 HydrophobicContact CZ2-CE1 4.3Å; W139-F157 AromaticContact CZ2-CE2 3.15Å; W139-F157 HydrophobicContact CZ2-CE2 3.15Å; W139-F157 AromaticContact CZ2-CZ 3.34Å; W139-F157 HydrophobicContact CZ2-CZ 3.34Å; W139-F157 HydrophobicContact CZ3-CD1 4.32Å; W139-F157 AromaticContact CZ3-CE1 3.33Å; W139-F157 HydrophobicContact CZ3-CE1 3.33Å; W139-F157 AromaticContact CZ3-CE2 3.78Å; W139-F157 HydrophobicContact CZ3-CE2 3.78Å; W139-F157 AromaticContact CZ3-CZ 3.02Å; W139-F157 HydrophobicContact CZ3-CZ 3.02Å; D153-F157 WeakPolarHBondContact O-CD2 3.3Å; I154-F157 PolarHBondContact O-N 2.94Å; F157-Y159 VanDerWaalsContact C-N 3.28Å; F157-Y159 PolarHBondContact O-N 3.47Å; F157-G160 PolarHBondContact O-N 3.11Å; F157-F161 VanDerWaalsContact O-CB 3.31Å; F157-F161 WeakPolarHBondContact O-CB 3.28Å; F157-F161 PolarHBondContact O-N 3.26Å
158V70Confident72.7Confident67 Ų6773.2 Ų73.241%0.40638%0.384SS..Hα-helixtrans-60.8-42.8177.6170.40000110I154 P155 F161 I162I154-V158 HydrophobicContact CG2-CG2 3.58Å; I154-V158 WeakPolarHBondContact O-CG2 3.49Å; I154-V158 PolarHBondContact O-N 3.5Å; P155-V158 PolarHBondContact O-N 3.25Å; V158-F161 PolarHBondContact O-N 3.05Å; V158-I162 HydrophobicContact CG1-CD1 3.65Å; V158-I162 HydrophobicContact CG1-CG1 4.27Å; V158-I162 WeakPolarHBondContact O-CB 3.38Å; V158-I162 VanDerWaalsContact O-CG1 3.22Å; V158-I162 WeakPolarHBondContact O-CG1 3.24Å; V158-I162 PolarHBondContact O-N 3.48Å
159Y78Confident71.7Confident145 Ų14575.7 Ų75.757%0.56939%0.393SS*.Hα-helixtrans-58.9-50.4175.2179.6-102.3000112.1P155 F157 F161 I162 Q163P155-Y159 WeakPolarHBondContact O-CB 3.3Å; P155-Y159 PolarHBondContact O-N 2.91Å; F157-Y159 VanDerWaalsContact C-N 3.28Å; F157-Y159 PolarHBondContact O-N 3.47Å; Y159-F161 VanDerWaalsContact C-N 3.34Å; Y159-F161 PolarHBondContact O-N 3.33Å; Y159-I162 PolarHBondContact O-N 2.85Å; Y159-Q163 VanDerWaalsContact CE1-CD 3.43Å; Y159-Q163 HydrophobicContact CE1-CG 4.25Å; Y159-Q163 WeakPolarHBondContact O-CG 3.29Å; Y159-Q163 PolarHBondContact O-N 3.38Å; Y159-Q163 PolarHBondContact OH-NE2 3.08Å
160G72.3Confident70.7Confident5 Ų573.7 Ų73.75%0.05238%0.383CS..Hα-helixtrans-60.1-43.2175.200000112.3Y94 L156 F157 I162 Q163 L164Y94-G160 WeakPolarHBondContact CE1-O 3.31Å; Y94-G160 PolarHBondContact OH-O 3.18Å; L156-G160 PolarHBondContact O-N 3.04Å; F157-G160 PolarHBondContact O-N 3.11Å; G160-I162 PolarHBondContact O-N 3.4Å; G160-Q163 WeakPolarHBondContact O-CB 3.4Å; G160-Q163 PolarHBondContact O-N 2.84Å; G160-L164 WeakPolarHBondContact O-CB 3.14Å; G160-L164 PolarHBondContact O-N 3.31Å
161F67Low70Confident89 Ų8976.1 Ų76.139%0.3940%0.402SS..Hα-helixtrans-62.9-42.1178.6-176-108.8000112.5F157 V158 Y159 Q163 L164 L165F157-F161 VanDerWaalsContact O-CB 3.31Å; F157-F161 WeakPolarHBondContact O-CB 3.28Å; F157-F161 PolarHBondContact O-N 3.26Å; V158-F161 PolarHBondContact O-N 3.05Å; Y159-F161 VanDerWaalsContact C-N 3.34Å; Y159-F161 PolarHBondContact O-N 3.33Å; F161-Q163 VanDerWaalsContact C-N 3.34Å; F161-L164 PolarHBondContact O-N 3Å; F161-L165 HydrophobicContact CD1-CD1 3.84Å; F161-L165 HydrophobicContact CD1-CG 4.28Å; F161-L165 HydrophobicContact CE1-CD1 3.38Å; F161-L165 HydrophobicContact CE1-CD2 4.45Å; F161-L165 HydrophobicContact CE1-CG 3.94Å; F161-L165 HydrophobicContact CE2-CD2 4.46Å; F161-L165 HydrophobicContact CE2-CG 4.39Å; F161-L165 HydrophobicContact CZ-CD1 3.84Å; F161-L165 HydrophobicContact CZ-CD2 4.06Å; F161-L165 HydrophobicContact CZ-CG 3.99Å; F161-L165 WeakPolarHBondContact O-CB 3.33Å; F161-L165 WeakPolarHBondContact O-CG 3.47Å; F161-L165 PolarHBondContact O-N 3.38Å
162I67.4Low69.4Low82 Ų8275 Ų7542%0.42139%0.394SS..Hα-helixtrans-61.7-44.6174.3-69.9166.5000110.3V158 Y159 G160 L164 L165 L166V158-I162 HydrophobicContact CG1-CD1 3.65Å; V158-I162 HydrophobicContact CG1-CG1 4.27Å; V158-I162 WeakPolarHBondContact O-CB 3.38Å; V158-I162 VanDerWaalsContact O-CG1 3.22Å; V158-I162 WeakPolarHBondContact O-CG1 3.24Å; V158-I162 PolarHBondContact O-N 3.48Å; Y159-I162 PolarHBondContact O-N 2.85Å; G160-I162 PolarHBondContact O-N 3.4Å; I162-L164 VanDerWaalsContact C-N 3.33Å; I162-L164 PolarHBondContact O-N 3.22Å; I162-L165 PolarHBondContact O-N 3.06Å; I162-L166 HydrophobicContact CG2-CD1 3.73Å; I162-L166 HydrophobicContact CG2-CG 4.41Å; I162-L166 WeakPolarHBondContact O-CB 3.45Å; I162-L166 VanDerWaalsContact O-CG 3.32Å; I162-L166 WeakPolarHBondContact O-CG 3.43Å; I162-L166 PolarHBondContact O-N 3.46Å
163Q74.4Confident68.6Low83 Ų8370.2 Ų70.239%0.38838%0.38SS..Hα-helixtrans-61.2-42.1175.8-72.2-171.4-30.100111.9Y159 G160 F161 L166 S167Y159-Q163 VanDerWaalsContact CE1-CD 3.43Å; Y159-Q163 HydrophobicContact CE1-CG 4.25Å; Y159-Q163 WeakPolarHBondContact O-CG 3.29Å; Y159-Q163 PolarHBondContact O-N 3.38Å; Y159-Q163 PolarHBondContact OH-NE2 3.08Å; G160-Q163 WeakPolarHBondContact O-CB 3.4Å; G160-Q163 PolarHBondContact O-N 2.84Å; F161-Q163 VanDerWaalsContact C-N 3.34Å; Q163-L166 CarbonylContact O-C 3.54Å; Q163-L166 PolarHBondContact O-N 3.47Å; Q163-S167 WeakPolarHBondContact O-CB 3.41Å; Q163-S167 PolarHBondContact O-N 3.23Å; Q163-S167 PolarHBondContact O-OG 2.71Å
164L69.5Low68.2Low55 Ų5572.5 Ų72.529%0.28839%0.392SS..Hα-helixtrans-63.1-43.9176.4-179.564.1000111.6Y94 G160 F161 I162 L166 S167 G170Y94-L164 HydrophobicContact CD1-CD2 4.2Å; Y94-L164 HydrophobicContact CE1-CB 3.97Å; Y94-L164 HydrophobicContact CE1-CD2 4.16Å; G160-L164 WeakPolarHBondContact O-CB 3.14Å; G160-L164 PolarHBondContact O-N 3.31Å; F161-L164 PolarHBondContact O-N 3Å; I162-L164 VanDerWaalsContact C-N 3.33Å; I162-L164 PolarHBondContact O-N 3.22Å; L164-L166 VanDerWaalsContact C-N 3.34Å; L164-L166 PolarHBondContact O-N 3.21Å; L164-S167 WeakPolarHBondContact O-CB 3.2Å; L164-S167 PolarHBondContact O-N 3.27Å; L164-G170 WeakPolarHBondContact O-CA 3.33Å; L164-G170 PolarHBondContact O-N 2.96Å
165L62Low67.5Low25 Ų2574.9 Ų74.913%0.13140%0.403CS..Hα-helixtrans-61.8-41.2176-75.6-178.4000112.1F161 I162 S167 G170 A173 L174 I177F161-L165 HydrophobicContact CD1-CD1 3.84Å; F161-L165 HydrophobicContact CD1-CG 4.28Å; F161-L165 HydrophobicContact CE1-CD1 3.38Å; F161-L165 HydrophobicContact CE1-CD2 4.45Å; F161-L165 HydrophobicContact CE1-CG 3.94Å; F161-L165 HydrophobicContact CE2-CD2 4.46Å; F161-L165 HydrophobicContact CE2-CG 4.39Å; F161-L165 HydrophobicContact CZ-CD1 3.84Å; F161-L165 HydrophobicContact CZ-CD2 4.06Å; F161-L165 HydrophobicContact CZ-CG 3.99Å; F161-L165 WeakPolarHBondContact O-CB 3.33Å; F161-L165 WeakPolarHBondContact O-CG 3.47Å; F161-L165 PolarHBondContact O-N 3.38Å; I162-L165 PolarHBondContact O-N 3.06Å; L165-S167 VanDerWaalsContact C-N 3.31Å; L165-G170 CarbonylContact O-C 3.08Å; L165-G170 WeakPolarHBondContact O-CA 3.22Å; L165-A173 HydrophobicContact CD2-CB 3.91Å; L165-L174 HydrophobicContact CB-CD1 4.44Å; L165-L174 HydrophobicContact CB-CD2 3.89Å; L165-L174 HydrophobicContact CB-CG 4.04Å; L165-L174 HydrophobicContact CD1-CD2 4.02Å; L165-L174 HydrophobicContact CD2-CD2 4.07Å; L165-L174 HydrophobicContact CD2-CG 4.22Å; L165-L174 HydrophobicContact CG-CD2 4.23Å; L165-L174 WeakPolarHBondContact O-CD1 3.31Å; L165-L174 WeakPolarHBondContact O-CG 3.41Å; L165-I177 HydrophobicContact CD1-CD1 4.36Å; L165-I177 HydrophobicContact CD2-CD1 3.83Å
166L71.1Confident67.2Low135 Ų13572.2 Ų72.271%0.70738%0.383SS*.Hα-helixtrans-78.8-13.9177.6-67.1171.2000113.4I162 Q163 L164I162-L166 HydrophobicContact CG2-CD1 3.73Å; I162-L166 HydrophobicContact CG2-CG 4.41Å; I162-L166 WeakPolarHBondContact O-CB 3.45Å; I162-L166 VanDerWaalsContact O-CG 3.32Å; I162-L166 WeakPolarHBondContact O-CG 3.43Å; I162-L166 PolarHBondContact O-N 3.46Å; Q163-L166 CarbonylContact O-C 3.54Å; Q163-L166 PolarHBondContact O-N 3.47Å; L164-L166 VanDerWaalsContact C-N 3.34Å; L164-L166 PolarHBondContact O-N 3.21Å
167S70.1Confident67Low53 Ų5372 Ų7237%0.37138%0.382SS..SBendtrans-73.4154.9174.5-64.60000110.1Q163 L164 L165 E169 G170 T171Q163-S167 WeakPolarHBondContact O-CB 3.41Å; Q163-S167 PolarHBondContact O-N 3.23Å; Q163-S167 PolarHBondContact O-OG 2.71Å; L164-S167 WeakPolarHBondContact O-CB 3.2Å; L164-S167 PolarHBondContact O-N 3.27Å; L165-S167 VanDerWaalsContact C-N 3.31Å; S167-E169 PolarHBondContact O-N 2.84Å; S167-G170 WeakPolarHBondContact O-CA 3.44Å; S167-G170 PolarHBondContact O-N 3.1Å; S167-T171 PolarHBondContact O-N 3.29Å
168G59.9Low67Low61 Ų6178.6 Ų78.663%0.62941%0.405SS*.THydrogen-bonded Turntrans-53.2-32.3-177.100000114.5G170 T171G168-G170 VanDerWaalsContact C-N 3.32Å; G168-G170 PolarHBondContact O-N 2.81Å; G168-T171 WeakPolarHBondContact O-CG2 3.36Å; G168-T171 PolarHBondContact O-N 2.79Å; G168-T171 PolarHBondContact O-OG1 3.06Å
169E63.8Low66.9Low165 Ų16577.2 Ų77.277%0.77140%0.395SS*.THydrogen-bonded Turntrans-66.9-31.2174.4-59.5179.6117.100113S167 T171S167-E169 PolarHBondContact O-N 2.84Å; E169-T171 VanDerWaalsContact C-N 3.35Å
170G56.6Low66.4Low3 Ų372 Ų723%0.03138%0.378CS..Hα-helixtrans-79.6-10.8179.900000114.4L164 L165 S167 G168 F172 A173 L174L164-G170 WeakPolarHBondContact O-CA 3.33Å; L164-G170 PolarHBondContact O-N 2.96Å; L165-G170 CarbonylContact O-C 3.08Å; L165-G170 WeakPolarHBondContact O-CA 3.22Å; S167-G170 WeakPolarHBondContact O-CA 3.44Å; S167-G170 PolarHBondContact O-N 3.1Å; G168-G170 VanDerWaalsContact C-N 3.32Å; G168-G170 PolarHBondContact O-N 2.81Å; G170-F172 VanDerWaalsContact C-N 3.27Å; G170-F172 PolarHBondContact O-N 2.94Å; G170-A173 CarbonylContact O-C 3.56Å; G170-A173 WeakPolarHBondContact O-CA 3.39Å; G170-A173 WeakPolarHBondContact O-CB 2.95Å; G170-A173 PolarHBondContact O-N 2.98Å; G170-L174 PolarHBondContact O-N 3.48Å
171T59.7Low66.3Low90 Ų9076.5 Ų76.555%0.55240%0.401SS*.Hα-helixtrans-56.2-42.3177.656.30000112.1S167 G168 E169 M175S167-T171 PolarHBondContact O-N 3.29Å; G168-T171 WeakPolarHBondContact O-CG2 3.36Å; G168-T171 PolarHBondContact O-N 2.79Å; G168-T171 PolarHBondContact O-OG1 3.06Å; E169-T171 VanDerWaalsContact C-N 3.35Å; T171-M175 WeakPolarHBondContact O-CB 3.39Å; T171-M175 PolarHBondContact O-N 3.39Å
172F65.6Low66.1Low75 Ų7576.5 Ų76.533%0.32941%0.405SS..Hα-helixtrans-62.1-48.6172-178-98.9000110.9G170 L174 M175 Q176 S223 T227G170-F172 VanDerWaalsContact C-N 3.27Å; G170-F172 PolarHBondContact O-N 2.94Å; F172-L174 PolarHBondContact O-N 3.3Å; F172-M175 PolarHBondContact O-N 3.21Å; F172-Q176 HydrophobicContact CD1-CG 3.94Å; F172-Q176 HydrophobicContact CE1-CG 3.69Å; F172-Q176 HydrophobicContact CE2-CG 4.45Å; F172-Q176 HydrophobicContact CG-CG 4.43Å; F172-Q176 HydrophobicContact CZ-CG 3.99Å; F172-Q176 VanDerWaalsContact O-CG 3.23Å; F172-Q176 WeakPolarHBondContact O-CG 3.17Å; F172-Q176 PolarHBondContact O-N 3.38Å; F172-S223 WeakPolarHBondContact CE2-OG 3.09Å; F172-T227 HydrophobicContact CE1-CG2 4.18Å; F172-T227 WeakPolarHBondContact CE2-OG1 3.19Å; F172-T227 HydrophobicContact CZ-CG2 3.99Å; F172-T227 WeakPolarHBondContact CZ-OG1 3.11Å
173A62.7Low66.2Low38 Ų3874.3 Ų74.331%0.31440%0.402SS..Hα-helixtrans-60.6-42.1179.400000112.6L165 G170 Q176 I177L165-A173 HydrophobicContact CD2-CB 3.91Å; G170-A173 CarbonylContact O-C 3.56Å; G170-A173 WeakPolarHBondContact O-CA 3.39Å; G170-A173 WeakPolarHBondContact O-CB 2.95Å; G170-A173 PolarHBondContact O-N 2.98Å; A173-Q176 PolarHBondContact O-N 2.94Å; A173-I177 WeakPolarHBondContact O-CB 3.48Å; A173-I177 VanDerWaalsContact O-CG1 3.24Å; A173-I177 WeakPolarHBondContact O-CG1 3.41Å; A173-I177 PolarHBondContact O-N 2.79Å
174L65.9Low65.8Low66 Ų6672.4 Ų72.435%0.34639%0.394SS..Hα-helixtrans-64.5-43175.1-78.2-179.8000111.9L165 G170 F172 Q176 I177 R178L165-L174 HydrophobicContact CB-CD1 4.44Å; L165-L174 HydrophobicContact CB-CD2 3.89Å; L165-L174 HydrophobicContact CB-CG 4.04Å; L165-L174 HydrophobicContact CD1-CD2 4.02Å; L165-L174 HydrophobicContact CD2-CD2 4.07Å; L165-L174 HydrophobicContact CD2-CG 4.22Å; L165-L174 HydrophobicContact CG-CD2 4.23Å; L165-L174 WeakPolarHBondContact O-CD1 3.31Å; L165-L174 WeakPolarHBondContact O-CG 3.41Å; G170-L174 PolarHBondContact O-N 3.48Å; F172-L174 PolarHBondContact O-N 3.3Å; L174-Q176 VanDerWaalsContact C-N 3.29Å; L174-Q176 PolarHBondContact O-N 2.95Å; L174-I177 PolarHBondContact O-N 3.46Å; L174-R178 VanDerWaalsContact O-CB 3.28Å; L174-R178 WeakPolarHBondContact O-CB 3.43Å; L174-R178 PolarHBondContact O-N 3.34Å
175M63Low65.5Low116 Ų11673.7 Ų73.757%0.57141%0.407SS*.Hα-helixtrans-61.4-41.8175-174.8172.1178.200110.7T171 F172 R178 L179T171-M175 WeakPolarHBondContact O-CB 3.39Å; T171-M175 PolarHBondContact O-N 3.39Å; F172-M175 PolarHBondContact O-N 3.21Å; M175-R178 PolarHBondContact O-N 3.46Å; M175-L179 WeakPolarHBondContact O-CB 3.3Å; M175-L179 PolarHBondContact O-N 3.34Å
176Q68.9Low65.7Low27 Ų2773.9 Ų73.913%0.12641%0.409CS..Hα-helixtrans-63.9-49175.3-64.3-63.332.900111.9F172 A173 L174 R178 L179 T180 H220F172-Q176 HydrophobicContact CD1-CG 3.94Å; F172-Q176 HydrophobicContact CE1-CG 3.69Å; F172-Q176 HydrophobicContact CE2-CG 4.45Å; F172-Q176 HydrophobicContact CG-CG 4.43Å; F172-Q176 HydrophobicContact CZ-CG 3.99Å; F172-Q176 VanDerWaalsContact O-CG 3.23Å; F172-Q176 WeakPolarHBondContact O-CG 3.17Å; F172-Q176 PolarHBondContact O-N 3.38Å; A173-Q176 PolarHBondContact O-N 2.94Å; L174-Q176 VanDerWaalsContact C-N 3.29Å; L174-Q176 PolarHBondContact O-N 2.95Å; Q176-R178 VanDerWaalsContact C-N 3.33Å; Q176-R178 PolarHBondContact O-N 3.2Å; Q176-L179 PolarHBondContact O-N 2.73Å; Q176-T180 WeakPolarHBondContact O-CB 3.47Å; Q176-T180 PolarHBondContact O-N 2.77Å; Q176-T180 PolarHBondContact O-OG1 3.24Å; Q176-T180 VanDerWaalsContact O-OG1 3.06Å; Q176-H220 VanDerWaalsContact CD-CE1 3.48Å; Q176-H220 PolarHBondContact OE1-CE1 3.31Å; Q176-H220 PolarHBondContact OE1-ND1 2.88Å
177I69.3Low65.4Low69 Ų6968.2 Ų68.235%0.35438%0.379SS..Hα-helixtrans-58.9-44.5177.4-69.8163.1000110.9L165 A173 L174 L179 T180 L181L165-I177 HydrophobicContact CD1-CD1 4.36Å; L165-I177 HydrophobicContact CD2-CD1 3.83Å; A173-I177 WeakPolarHBondContact O-CB 3.48Å; A173-I177 VanDerWaalsContact O-CG1 3.24Å; A173-I177 WeakPolarHBondContact O-CG1 3.41Å; A173-I177 PolarHBondContact O-N 2.79Å; L174-I177 PolarHBondContact O-N 3.46Å; I177-L179 PolarHBondContact O-N 2.66Å; I177-T180 WeakPolarHBondContact O-CB 3.43Å; I177-T180 PolarHBondContact O-N 2.75Å; I177-L181 HydrophobicContact CG2-CD1 3.8Å; I177-L181 HydrophobicContact CG2-CG 4.32Å; I177-L181 WeakPolarHBondContact O-CB 3.32Å; I177-L181 VanDerWaalsContact O-CG 3.31Å; I177-L181 WeakPolarHBondContact O-CG 3.16Å; I177-L181 PolarHBondContact O-N 2.75Å
178R70.2Confident65.1Low201 Ų20172 Ų7276%0.75839%0.389SS*.Hα-helixtrans-60.6-45.1177.9-177.4-180178.1-176.6-0.5111.5L174 M175 Q176 L181 L182L174-R178 VanDerWaalsContact O-CB 3.28Å; L174-R178 WeakPolarHBondContact O-CB 3.43Å; L174-R178 PolarHBondContact O-N 3.34Å; M175-R178 PolarHBondContact O-N 3.46Å; Q176-R178 VanDerWaalsContact C-N 3.33Å; Q176-R178 PolarHBondContact O-N 3.2Å; R178-L181 PolarHBondContact O-N 2.78Å; R178-L182 WeakPolarHBondContact O-CB 3.47Å; R178-L182 PolarHBondContact O-N 3.46Å
179L66.9Low65.1Low39 Ų3974.4 Ų74.420%0.20438%0.38CS..Hα-helixtrans-70.6-38.3-179-159.460.9000112.1M175 Q176 I177 L182 G183 I216 H220M175-L179 WeakPolarHBondContact O-CB 3.3Å; M175-L179 PolarHBondContact O-N 3.34Å; Q176-L179 PolarHBondContact O-N 2.73Å; I177-L179 PolarHBondContact O-N 2.66Å; L179-L182 PolarHBondContact O-N 3.4Å; L179-G183 PolarHBondContact O-N 2.71Å; L179-I216 HydrophobicContact CD1-CG2 3.46Å; L179-I216 VanDerWaalsContact CD1-CG2 3.46Å; L179-I216 HydrophobicContact CD2-CG2 4.12Å; L179-I216 HydrophobicContact CG-CG2 3.83Å; L179-H220 HydrophobicContact CD2-CB 3.82Å
180T68.3Low65Low35 Ų3570.1 Ų70.122%0.21536%0.362CS..Hα-helixtrans-58.2-50170.7-80.40000112.4L23 Q176 I177 L182 G183 L184L23-T180 HydrophobicContact CD1-CG2 3.47Å; L23-T180 VanDerWaalsContact CD1-CG2 3.47Å; L23-T180 HydrophobicContact CD2-CG2 3.25Å; L23-T180 HydrophobicContact CG-CG2 3.93Å; Q176-T180 WeakPolarHBondContact O-CB 3.47Å; Q176-T180 PolarHBondContact O-N 2.77Å; Q176-T180 PolarHBondContact O-OG1 3.24Å; Q176-T180 VanDerWaalsContact O-OG1 3.06Å; I177-T180 WeakPolarHBondContact O-CB 3.43Å; I177-T180 PolarHBondContact O-N 2.75Å; T180-L182 VanDerWaalsContact C-N 3.35Å; T180-G183 PolarHBondContact O-N 3.38Å; T180-L184 WeakPolarHBondContact O-CG 3.47Å; T180-L184 PolarHBondContact O-N 2.78Å
181L69.4Low65.3Low100 Ų10075.3 Ų75.352%0.52439%0.388SS..Hα-helixtrans-64.6-41.8179.6-75.5169.1000111I177 R178 L184 C185I177-L181 HydrophobicContact CG2-CD1 3.8Å; I177-L181 HydrophobicContact CG2-CG 4.32Å; I177-L181 WeakPolarHBondContact O-CB 3.32Å; I177-L181 VanDerWaalsContact O-CG 3.31Å; I177-L181 WeakPolarHBondContact O-CG 3.16Å; I177-L181 PolarHBondContact O-N 2.75Å; R178-L181 PolarHBondContact O-N 2.78Å; L181-L184 PolarHBondContact O-N 3.44Å; L181-C185 PolarHBondContact O-N 3.08Å; L181-C185 PolarHBondContact O-SG 3.43Å
182L64.8Low65.3Low89 Ų8974.4 Ų74.447%0.46638%0.382SS..Hα-helixtrans-61.3-46.3174.3-176.666.2000111.3R178 L179 T180 L184 C185 V186 I216R178-L182 WeakPolarHBondContact O-CB 3.47Å; R178-L182 PolarHBondContact O-N 3.46Å; L179-L182 PolarHBondContact O-N 3.4Å; T180-L182 VanDerWaalsContact C-N 3.35Å; L182-L184 VanDerWaalsContact C-N 3.31Å; L182-L184 PolarHBondContact O-N 3.48Å; L182-C185 WeakPolarHBondContact O-CB 3.42Å; L182-C185 PolarHBondContact O-N 3.23Å; L182-C185 VanDerWaalsContact O-N 3.15Å; L182-V186 WeakPolarHBondContact O-CG2 3.48Å; L182-V186 PolarHBondContact O-N 3.03Å; L182-I216 HydrophobicContact CD2-CD1 4.41Å
183G68.8Low64.9Low35 Ų3576.7 Ų76.736%0.36141%0.405SS..Hα-helixtrans-60.9-38.6176.200000112.8L179 T180 V186 L187L179-G183 PolarHBondContact O-N 2.71Å; T180-G183 PolarHBondContact O-N 3.38Å; G183-V186 PolarHBondContact O-N 3.48Å; G183-L187 VanDerWaalsContact O-CB 3.27Å; G183-L187 WeakPolarHBondContact O-CB 3.43Å; G183-L187 PolarHBondContact O-N 2.85Å
184L66.4Low64.4Low43 Ų4383 Ų8323%0.22543%0.426CS..Hα-helixtrans-66.2-42.3172-73.5179.6000112.1A20 L23 T180 L181 L182 V186 L187 F188A20-L184 HydrophobicContact CB-CD2 4.05Å; L23-L184 HydrophobicContact CD1-CD1 3.93Å; L23-L184 HydrophobicContact CD1-CD2 3.88Å; L23-L184 HydrophobicContact CD1-CG 3.79Å; T180-L184 WeakPolarHBondContact O-CG 3.47Å; T180-L184 PolarHBondContact O-N 2.78Å; L181-L184 PolarHBondContact O-N 3.44Å; L182-L184 VanDerWaalsContact C-N 3.31Å; L182-L184 PolarHBondContact O-N 3.48Å; L184-V186 VanDerWaalsContact C-N 3.32Å; L184-V186 PolarHBondContact O-N 2.89Å; L184-L187 HydrophobicContact CD2-CD2 4.24Å; L184-L187 PolarHBondContact O-N 3.27Å; L184-F188 HydrophobicContact CB-CD2 4.44Å; L184-F188 WeakPolarHBondContact O-CB 3.38Å; L184-F188 WeakPolarHBondContact O-CD2 3.16Å; L184-F188 PolarHBondContact O-N 2.86Å
185C62.2Low64Low83 Ų8383.4 Ų83.456%0.56143%0.428SS*.Hα-helixtrans-59.5-43.4175.7-720000111.6L181 L182 F188 Y189L181-C185 PolarHBondContact O-N 3.08Å; L181-C185 PolarHBondContact O-SG 3.43Å; L182-C185 WeakPolarHBondContact O-CB 3.42Å; L182-C185 PolarHBondContact O-N 3.23Å; L182-C185 VanDerWaalsContact O-N 3.15Å; C185-F188 PolarHBondContact O-N 3.27Å; C185-Y189 WeakPolarHBondContact O-CB 3.22Å; C185-Y189 PolarHBondContact O-N 3.26Å
186V66.4Low63.6Low28 Ų2886.8 Ų86.817%0.1744%0.44CS..Hα-helixtrans-68.7-39.3176.3179.20000111.4L182 G183 L184 F188 Y189 L190 V213L182-V186 WeakPolarHBondContact O-CG2 3.48Å; L182-V186 PolarHBondContact O-N 3.03Å; G183-V186 PolarHBondContact O-N 3.48Å; L184-V186 VanDerWaalsContact C-N 3.32Å; L184-V186 PolarHBondContact O-N 2.89Å; V186-F188 PolarHBondContact O-N 3.47Å; V186-Y189 WeakPolarHBondContact O-CB 3.12Å; V186-Y189 PolarHBondContact O-N 3.29Å; V186-L190 HydrophobicContact CG1-CD1 4Å; V186-L190 HydrophobicContact CG1-CG 4.38Å; V186-L190 WeakPolarHBondContact O-CG 3.15Å; V186-L190 PolarHBondContact O-N 3.49Å; V186-V213 HydrophobicContact CB-CG2 4.42Å; V186-V213 HydrophobicContact CG1-CG2 3.53Å
187L65.5Low63.2Low17 Ų1791 Ų919%0.08946%0.462CS..Hα-helixtrans-60.9-44173.2179.266.8000111.8M16 A20 G183 L184 Y189 L190 I191M16-L187 HydrophobicContact CB-CD1 3.75Å; M16-L187 HydrophobicContact CE-CD1 3.78Å; A20-L187 HydrophobicContact CB-CD2 3.65Å; G183-L187 VanDerWaalsContact O-CB 3.27Å; G183-L187 WeakPolarHBondContact O-CB 3.43Å; G183-L187 PolarHBondContact O-N 2.85Å; L184-L187 HydrophobicContact CD2-CD2 4.24Å; L184-L187 PolarHBondContact O-N 3.27Å; L187-Y189 VanDerWaalsContact C-N 3.33Å; L187-L190 PolarHBondContact O-N 2.88Å; L187-I191 HydrophobicContact CD1-CD1 3.74Å; L187-I191 HydrophobicContact CD1-CG1 4.13Å; L187-I191 HydrophobicContact CD2-CD1 4.34Å; L187-I191 HydrophobicContact CG-CD1 3.72Å; L187-I191 HydrophobicContact CG-CG1 4.38Å; L187-I191 WeakPolarHBondContact O-CB 3.26Å; L187-I191 VanDerWaalsContact O-CG1 3.26Å; L187-I191 WeakPolarHBondContact O-CG1 3.17Å; L187-I191 PolarHBondContact O-N 3.3Å
188F62.7Low62.5Low133 Ų13393.4 Ų93.458%0.58348%0.482SS*.Hα-helixtrans-65-37.9175.9-84.6-65.3000111.9L184 C185 V186 T192L184-F188 HydrophobicContact CB-CD2 4.44Å; L184-F188 WeakPolarHBondContact O-CB 3.38Å; L184-F188 WeakPolarHBondContact O-CD2 3.16Å; L184-F188 PolarHBondContact O-N 2.86Å; C185-F188 PolarHBondContact O-N 3.27Å; V186-F188 PolarHBondContact O-N 3.47Å; F188-T192 WeakPolarHBondContact O-CB 3.48Å; F188-T192 PolarHBondContact O-N 3.48Å; F188-T192 PolarHBondContact O-OG1 3.38Å
189Y60.9Low62.2Low111 Ų11191.1 Ų91.144%0.43549%0.485SS..Hα-helixtrans-58.9-52.2172.3-179.2-91.4000110.2C185 V186 L187 I191 T192 D195C185-Y189 WeakPolarHBondContact O-CB 3.22Å; C185-Y189 PolarHBondContact O-N 3.26Å; V186-Y189 WeakPolarHBondContact O-CB 3.12Å; V186-Y189 PolarHBondContact O-N 3.29Å; L187-Y189 VanDerWaalsContact C-N 3.33Å; Y189-I191 PolarHBondContact O-N 2.89Å; Y189-T192 PolarHBondContact O-N 2.89Å; Y189-D195 WeakPolarHBondContact CD1-OD2 3.25Å; Y189-D195 WeakPolarHBondContact CD2-OD2 3.42Å; Y189-D195 WeakPolarHBondContact CE1-OD2 3.47Å; Y189-D195 WeakPolarHBondContact CE2-OD1 3.14Å; Y189-D195 WeakPolarHBondContact CE2-OD2 3.27Å; Y189-D195 PolarHBondContact OH-OD1 2.86Å; Y189-D195 PolarHBondContact OH-OD2 3.4Å
190L60.4Low61.7Low74 Ų7495.9 Ų95.939%0.38752%0.515SS..Hα-helixtrans-65.7-36.5179.4-68.2169.9000114.4M16 V186 L187 T192M16-L190 HydrophobicContact CE-CB 4.32Å; M16-L190 HydrophobicContact CE-CD1 3.26Å; M16-L190 HydrophobicContact CE-CG 4.41Å; V186-L190 HydrophobicContact CG1-CD1 4Å; V186-L190 HydrophobicContact CG1-CG 4.38Å; V186-L190 WeakPolarHBondContact O-CG 3.15Å; V186-L190 PolarHBondContact O-N 3.49Å; L187-L190 PolarHBondContact O-N 2.88Å; L190-T192 VanDerWaalsContact C-N 3.32Å
191I63.6Low61Low113 Ų113100.5 Ų100.558%0.57954%0.543SS*.Hα-helixtrans-73.8-26.1177.4-70.3173.2000111.3L187 Y189 P193L187-I191 HydrophobicContact CD1-CD1 3.74Å; L187-I191 HydrophobicContact CD1-CG1 4.13Å; L187-I191 HydrophobicContact CD2-CD1 4.34Å; L187-I191 HydrophobicContact CG-CD1 3.72Å; L187-I191 HydrophobicContact CG-CG1 4.38Å; L187-I191 WeakPolarHBondContact O-CB 3.26Å; L187-I191 VanDerWaalsContact O-CG1 3.26Å; L187-I191 WeakPolarHBondContact O-CG1 3.17Å; L187-I191 PolarHBondContact O-N 3.3Å; Y189-I191 PolarHBondContact O-N 2.89Å; I191-P193 WeakPolarHBondContact O-CD 3.3Å
192T58.8Low60.5Low70 Ų7097.1 Ų97.143%0.42953%0.529SS..  trans-76.7108.5-179.8-58.40000108.2F188 Y189 L190 F194F188-T192 WeakPolarHBondContact O-CB 3.48Å; F188-T192 PolarHBondContact O-N 3.48Å; F188-T192 PolarHBondContact O-OG1 3.38Å; Y189-T192 PolarHBondContact O-N 2.89Å; L190-T192 VanDerWaalsContact C-N 3.32Å; T192-F194 HydrophobicContact CG2-CB 3.95Å; T192-F194 PolarHBondContact O-N 3.32Å
193P58.3Low60.5Low124 Ų12495.6 Ų95.681%0.80554%0.535SS*.SBendtrans-69.713-178.132.9-38.2000113.4I191I191-P193 WeakPolarHBondContact O-CD 3.3Å
194F52.4Low60.6Low171 Ų171101.2 Ų101.275%0.7555%0.55SS**  trans-123.255.7-170.6-109.3-80.3000109.3T192T192-F194 HydrophobicContact CG2-CB 3.95Å; T192-F194 PolarHBondContact O-N 3.32Å
195D56.2Low60.5Low74 Ų74104.7 Ų104.740%0.39657%0.568SS.*  trans-87.6126.5168.9-116-46.8000112.6Y189 I197Y189-D195 WeakPolarHBondContact CD1-OD2 3.25Å; Y189-D195 WeakPolarHBondContact CD2-OD2 3.42Å; Y189-D195 WeakPolarHBondContact CE1-OD2 3.47Å; Y189-D195 WeakPolarHBondContact CE2-OD1 3.14Å; Y189-D195 WeakPolarHBondContact CE2-OD2 3.27Å; Y189-D195 PolarHBondContact OH-OD1 2.86Å; Y189-D195 PolarHBondContact OH-OD2 3.4Å; D195-I197 VanDerWaalsContact C-N 3.25Å; D195-I197 PolarHBondContact O-N 3.48Å; D195-I197 VanDerWaalsContact O-N 3.1Å
196F55.6Low60.7Low187 Ų187102.4 Ų102.482%0.8256%0.559SS**  trans-87.728.5-154.6-149-96000112.9
197I61.3Low60.7Low116 Ų116105.9 Ų105.960%0.59558%0.575SS**SBendtrans-126.4110.8-176.8-56.1174.4000110.2D195 D199D195-I197 VanDerWaalsContact C-N 3.25Å; D195-I197 PolarHBondContact O-N 3.48Å; D195-I197 VanDerWaalsContact O-N 3.1Å; I197-D199 PolarHBondContact O-N 3.24Å
198P53.9Low60.8Low118 Ų118108.9 Ų108.977%0.76659%0.591SS**  trans-7090.6-174.426.6-31.6000113V200P198-V200 PolarHBondContact O-N 3.41Å
199D63.5Low61.2Low153 Ų153105 Ų10582%0.81858%0.576SS**THydrogen-bonded Turn47.513.3121.5-1133.4000124I197I197-D199 PolarHBondContact O-N 3.24Å
200V56.1Low61.8Low140 Ų140103.7 Ų103.785%0.84858%0.577SS**THydrogen-bonded Turntrans-127-25.6167.7179.40000114.2P198P198-V200 PolarHBondContact O-N 3.41Å
201V53.2Low62.2Low131 Ų131104.4 Ų104.479%0.79458%0.58SS**SBendtrans-106.1-3.5-179.6-140.30000112.8
202A58.6Low62.5Low29 Ų29102.9 Ų102.924%0.2457%0.572CS.*  trans-98.7-6.6-167.900000115.8F204 I205 G206A202-F204 PolarHBondContact O-N 2.77Å; A202-I205 PolarHBondContact O-N 3.27Å; A202-I205 VanDerWaalsContact O-N 3.11Å; A202-G206 PolarHBondContact O-N 3.39Å
203G66Low62.9Low57 Ų57101.4 Ų101.459%0.58856%0.563SS**Hα-helixtrans-59.1-41.1-176.300000114.1I207G203-I207 WeakPolarHBondContact O-CG1 3.36Å; G203-I207 PolarHBondContact O-N 2.8Å
204F70.4Confident63.4Low153 Ų153100 Ų10067%0.67155%0.548SS*.Hα-helixtrans-71.6-35.6176.1-177.8-100.5000112.6A202 I207 L208A202-F204 PolarHBondContact O-N 2.77Å; F204-I207 PolarHBondContact O-N 2.71Å; F204-L208 WeakPolarHBondContact O-CB 3.41Å; F204-L208 PolarHBondContact O-N 2.77Å
205I65.4Low64.2Low116 Ų11694.8 Ų94.860%0.59553%0.532SS*.Hα-helixtrans-68.4-39.6-179.7-63.6173.2000110.4A202 L208 D209A202-I205 PolarHBondContact O-N 3.27Å; A202-I205 VanDerWaalsContact O-N 3.11Å; I205-L208 PolarHBondContact O-N 3.5Å; I205-D209 PolarHBondContact O-N 3.49Å
206G65.1Low64.9Low36 Ų3693.7 Ų93.737%0.37153%0.526SS..Hα-helixtrans-62.6-47.5174.400000112.7A202 L208 D209 D210A202-G206 PolarHBondContact O-N 3.39Å; G206-L208 VanDerWaalsContact C-N 3.28Å; G206-L208 PolarHBondContact O-N 2.72Å; G206-D209 WeakPolarHBondContact O-CB 3.27Å; G206-D209 PolarHBondContact O-N 2.87Å; G206-D209 VanDerWaalsContact O-N 3.16Å; G206-D210 PolarHBondContact O-N 3.03Å
207I67.1Low65.7Low100 Ų10088.5 Ų88.551%0.51350%0.503SS..Hα-helixtrans-61.4-38.8176.4-65.7167.5000111.3G203 F204 D209 D210 I211G203-I207 WeakPolarHBondContact O-CG1 3.36Å; G203-I207 PolarHBondContact O-N 2.8Å; F204-I207 PolarHBondContact O-N 2.71Å; I207-D209 VanDerWaalsContact C-N 3.34Å; I207-D210 PolarHBondContact O-N 3.01Å; I207-I211 HydrophobicContact CG2-CD1 3.98Å; I207-I211 VanDerWaalsContact O-CG1 3.31Å; I207-I211 WeakPolarHBondContact O-CG1 3.31Å; I207-I211 PolarHBondContact O-N 3.4Å
208L67.7Low66.3Low80 Ų8086.9 Ų86.942%0.41950%0.495SS..Hα-helixtrans-63.3-41.7177.3-173.671.3000111.4F204 I205 G206 I211 I212F204-L208 WeakPolarHBondContact O-CB 3.41Å; F204-L208 PolarHBondContact O-N 2.77Å; I205-L208 PolarHBondContact O-N 3.5Å; G206-L208 VanDerWaalsContact C-N 3.28Å; G206-L208 PolarHBondContact O-N 2.72Å; L208-I211 PolarHBondContact O-N 3.29Å; L208-I212 HydrophobicContact CG-CD1 4.16Å; L208-I212 WeakPolarHBondContact O-CD1 3.23Å; L208-I212 VanDerWaalsContact O-CG1 3.25Å; L208-I212 WeakPolarHBondContact O-CG1 3.22Å; L208-I212 PolarHBondContact O-N 3.42Å
209D70.5Confident67.3Low52 Ų5286 Ų8628%0.27848%0.483SS..Hα-helixtrans-62.1-46.5175.6-16950000111.5I205 G206 I207 I211 I212 V213I205-D209 PolarHBondContact O-N 3.49Å; G206-D209 WeakPolarHBondContact O-CB 3.27Å; G206-D209 PolarHBondContact O-N 2.87Å; G206-D209 VanDerWaalsContact O-N 3.16Å; I207-D209 VanDerWaalsContact C-N 3.34Å; D209-I211 VanDerWaalsContact C-N 3.31Å; D209-I211 PolarHBondContact O-N 3.31Å; D209-I212 WeakPolarHBondContact O-CA 3.4Å; D209-I212 WeakPolarHBondContact O-CB 3.2Å; D209-I212 PolarHBondContact O-N 3.31Å; D209-V213 WeakPolarHBondContact O-CG2 3.14Å; D209-V213 PolarHBondContact O-N 3.42Å
210D73Confident67.8Low84 Ų8481.2 Ų81.245%0.44946%0.455SS..Hα-helixtrans-58.3-41.3176.5-70.5-30.9000112.5G206 I207 I212 V213 L214G206-D210 PolarHBondContact O-N 3.03Å; I207-D210 PolarHBondContact O-N 3.01Å; D210-I212 VanDerWaalsContact C-N 3.35Å; D210-V213 PolarHBondContact O-N 2.86Å; D210-L214 WeakPolarHBondContact O-CB 3.29Å; D210-L214 PolarHBondContact O-N 3.49Å
211I70.2Confident68.7Low88 Ų8878 Ų7845%0.45144%0.436SS..Hα-helixtrans-63.8-41.7174.9-69.3168.7000110.6I207 L208 D209 L214 C215I207-I211 HydrophobicContact CG2-CD1 3.98Å; I207-I211 VanDerWaalsContact O-CG1 3.31Å; I207-I211 WeakPolarHBondContact O-CG1 3.31Å; I207-I211 PolarHBondContact O-N 3.4Å; L208-I211 PolarHBondContact O-N 3.29Å; D209-I211 VanDerWaalsContact C-N 3.31Å; D209-I211 PolarHBondContact O-N 3.31Å; I211-L214 PolarHBondContact O-N 2.88Å; I211-C215 WeakPolarHBondContact O-CB 3.45Å; I211-C215 PolarHBondContact O-N 3.35Å; I211-C215 PolarHBondContact O-SG 3.05Å
212I69.4Low69.7Low81 Ų8175.6 Ų75.642%0.41542%0.418SS..Hα-helixtrans-63.8-44178.1-69.9164.2000110.6L208 D209 D210 L214 C215 I216L208-I212 HydrophobicContact CG-CD1 4.16Å; L208-I212 WeakPolarHBondContact O-CD1 3.23Å; L208-I212 VanDerWaalsContact O-CG1 3.25Å; L208-I212 WeakPolarHBondContact O-CG1 3.22Å; L208-I212 PolarHBondContact O-N 3.42Å; D209-I212 WeakPolarHBondContact O-CA 3.4Å; D209-I212 WeakPolarHBondContact O-CB 3.2Å; D209-I212 PolarHBondContact O-N 3.31Å; D210-I212 VanDerWaalsContact C-N 3.35Å; I212-L214 VanDerWaalsContact C-N 3.35Å; I212-L214 PolarHBondContact O-N 2.94Å; I212-C215 PolarHBondContact O-N 3.15Å; I212-I216 HydrophobicContact CG2-CD1 3.82Å; I212-I216 HydrophobicContact CG2-CG1 4.48Å; I212-I216 WeakPolarHBondContact O-CB 3.44Å; I212-I216 VanDerWaalsContact O-CG1 3.3Å; I212-I216 WeakPolarHBondContact O-CG1 3.37Å; I212-I216 PolarHBondContact O-N 2.94Å
213V67.7Low70.6Confident39 Ų3975.5 Ų75.524%0.23642%0.415CS..Hα-helixtrans-61-44.3176175.50000111V186 D209 D210 I216 F217V186-V213 HydrophobicContact CB-CG2 4.42Å; V186-V213 HydrophobicContact CG1-CG2 3.53Å; D209-V213 WeakPolarHBondContact O-CG2 3.14Å; D209-V213 PolarHBondContact O-N 3.42Å; D210-V213 PolarHBondContact O-N 2.86Å; V213-I216 PolarHBondContact O-N 3.2Å; V213-F217 WeakPolarHBondContact O-CB 3.46Å; V213-F217 PolarHBondContact O-N 3.42Å
214L69.2Low71Confident94 Ų9475.3 Ų75.349%0.49240%0.403SS..Hα-helixtrans-61-45.5175.5-178.766.9000111.6D210 I211 I212 I216 F217 I218D210-L214 WeakPolarHBondContact O-CB 3.29Å; D210-L214 PolarHBondContact O-N 3.49Å; I211-L214 PolarHBondContact O-N 2.88Å; I212-L214 VanDerWaalsContact C-N 3.35Å; I212-L214 PolarHBondContact O-N 2.94Å; L214-I216 VanDerWaalsContact C-N 3.34Å; L214-I216 PolarHBondContact O-N 2.87Å; L214-F217 PolarHBondContact O-N 3.15Å; L214-I218 HydrophobicContact CD1-CD1 4.36Å; L214-I218 HydrophobicContact CG-CD1 4.06Å; L214-I218 WeakPolarHBondContact O-CG1 3.45Å; L214-I218 PolarHBondContact O-N 3.45Å
215C67.8Low71.2Confident62 Ų6275.7 Ų75.742%0.41940%0.401SS..Hα-helixtrans-60.1-44.3175.8-730000111.7I211 I212 F217 I218 I219I211-C215 WeakPolarHBondContact O-CB 3.45Å; I211-C215 PolarHBondContact O-N 3.35Å; I211-C215 PolarHBondContact O-SG 3.05Å; I212-C215 PolarHBondContact O-N 3.15Å; C215-F217 VanDerWaalsContact C-N 3.34Å; C215-F217 PolarHBondContact O-N 2.93Å; C215-I218 PolarHBondContact O-N 2.74Å; C215-I219 VanDerWaalsContact O-CG1 3.29Å; C215-I219 WeakPolarHBondContact O-CG1 3.35Å; C215-I219 PolarHBondContact O-N 2.96Å
216I71.1Confident71.7Confident52 Ų5275.8 Ų75.827%0.26740%0.399SS..Hα-helixtrans-59.8-44.8176.1-74.6167.7000110.9L179 L182 I212 V213 L214 I219 H220L179-I216 HydrophobicContact CD1-CG2 3.46Å; L179-I216 VanDerWaalsContact CD1-CG2 3.46Å; L179-I216 HydrophobicContact CD2-CG2 4.12Å; L179-I216 HydrophobicContact CG-CG2 3.83Å; L182-I216 HydrophobicContact CD2-CD1 4.41Å; I212-I216 HydrophobicContact CG2-CD1 3.82Å; I212-I216 HydrophobicContact CG2-CG1 4.48Å; I212-I216 WeakPolarHBondContact O-CB 3.44Å; I212-I216 VanDerWaalsContact O-CG1 3.3Å; I212-I216 WeakPolarHBondContact O-CG1 3.37Å; I212-I216 PolarHBondContact O-N 2.94Å; V213-I216 PolarHBondContact O-N 3.2Å; L214-I216 VanDerWaalsContact C-N 3.34Å; L214-I216 PolarHBondContact O-N 2.87Å; I216-I219 PolarHBondContact O-N 3.03Å; I216-H220 WeakPolarHBondContact O-CB 3.45Å; I216-H220 PolarHBondContact O-N 3.03Å
217F72.2Confident72Confident77 Ų7775.7 Ų75.734%0.33839%0.391SS..Hα-helixtrans-61.8-45.1177.5179.7-100.4000112F15 P19 V213 L214 C215 I219 H220 V221F15-F217 HydrophobicContact CE1-CE1 4.15Å; F15-F217 HydrophobicContact CE1-CZ 4.33Å; F15-F217 HydrophobicContact CZ-CE1 4.11Å; F15-F217 HydrophobicContact CZ-CZ 4.37Å; P19-F217 HydrophobicContact CG-CE2 4.49Å; V213-F217 WeakPolarHBondContact O-CB 3.46Å; V213-F217 PolarHBondContact O-N 3.42Å; L214-F217 PolarHBondContact O-N 3.15Å; C215-F217 VanDerWaalsContact C-N 3.34Å; C215-F217 PolarHBondContact O-N 2.93Å; F217-I219 PolarHBondContact O-N 2.8Å; F217-H220 WeakPolarHBondContact O-CB 3.42Å; F217-H220 PolarHBondContact O-N 3.16Å; F217-V221 HydrophobicContact CD1-CG2 4.32Å; F217-V221 HydrophobicContact CE1-CG2 3.91Å; F217-V221 HydrophobicContact CE2-CG2 4.27Å; F217-V221 HydrophobicContact CZ-CG2 3.88Å; F217-V221 WeakPolarHBondContact O-CG2 3.37Å; F217-V221 PolarHBondContact O-N 3.25Å
218I73.6Confident72.2Confident83 Ų8374.7 Ų74.743%0.42639%0.386SS..Hα-helixtrans-60.9-46.3177.3-69.5167.7000110.7L214 C215 H220 V221 I222L214-I218 HydrophobicContact CD1-CD1 4.36Å; L214-I218 HydrophobicContact CG-CD1 4.06Å; L214-I218 WeakPolarHBondContact O-CG1 3.45Å; L214-I218 PolarHBondContact O-N 3.45Å; C215-I218 PolarHBondContact O-N 2.74Å; I218-H220 VanDerWaalsContact C-N 3.29Å; I218-H220 PolarHBondContact O-N 3.37Å; I218-V221 PolarHBondContact O-N 3.18Å; I218-I222 HydrophobicContact CG2-CD1 3.68Å; I218-I222 HydrophobicContact CG2-CG1 4.39Å; I218-I222 VanDerWaalsContact O-CG1 3.24Å; I218-I222 WeakPolarHBondContact O-CG1 3.26Å; I218-I222 PolarHBondContact O-N 3.47Å
219I75Confident72.5Confident100 Ų10072.5 Ų72.551%0.51338%0.377SS..Hα-helixtrans-60.8-40.6177.1-68.1165.5000110.8C215 I216 F217 I222 S223C215-I219 VanDerWaalsContact O-CG1 3.29Å; C215-I219 WeakPolarHBondContact O-CG1 3.35Å; C215-I219 PolarHBondContact O-N 2.96Å; I216-I219 PolarHBondContact O-N 3.03Å; F217-I219 PolarHBondContact O-N 2.8Å; I219-I222 PolarHBondContact O-N 3.45Å; I219-S223 WeakPolarHBondContact O-CB 3.38Å; I219-S223 PolarHBondContact O-N 3.27Å
220H74.8Confident72.7Confident51 Ų5172.6 Ų72.624%0.23638%0.382CS..Hα-helixtrans-62.2-48177.1-172.779000111.8Q176 L179 I216 F217 I218 I222 S223 V224Q176-H220 VanDerWaalsContact CD-CE1 3.48Å; Q176-H220 PolarHBondContact OE1-CE1 3.31Å; Q176-H220 PolarHBondContact OE1-ND1 2.88Å; L179-H220 HydrophobicContact CD2-CB 3.82Å; I216-H220 WeakPolarHBondContact O-CB 3.45Å; I216-H220 PolarHBondContact O-N 3.03Å; F217-H220 WeakPolarHBondContact O-CB 3.42Å; F217-H220 PolarHBondContact O-N 3.16Å; I218-H220 VanDerWaalsContact C-N 3.29Å; I218-H220 PolarHBondContact O-N 3.37Å; H220-I222 VanDerWaalsContact C-N 3.34Å; H220-I222 PolarHBondContact O-N 2.91Å; H220-S223 PolarHBondContact O-N 3.42Å; H220-V224 WeakPolarHBondContact O-CG2 3.37Å; H220-V224 PolarHBondContact O-N 3.34Å
221V74.3Confident72.6Confident73 Ų7376.8 Ų76.844%0.44239%0.391SS..Hα-helixtrans-60.9-43.3177.1171.80000111.1F217 I218 S223 V224 Y225F217-V221 HydrophobicContact CD1-CG2 4.32Å; F217-V221 HydrophobicContact CE1-CG2 3.91Å; F217-V221 HydrophobicContact CE2-CG2 4.27Å; F217-V221 HydrophobicContact CZ-CG2 3.88Å; F217-V221 WeakPolarHBondContact O-CG2 3.37Å; F217-V221 PolarHBondContact O-N 3.25Å; I218-V221 PolarHBondContact O-N 3.18Å; V221-S223 PolarHBondContact O-N 3.02Å; V221-V224 PolarHBondContact O-N 2.85Å; V221-Y225 WeakPolarHBondContact O-CB 3.09Å; V221-Y225 PolarHBondContact O-N 3.08Å
222I75.6Confident72.6Confident81 Ų8181.1 Ų81.142%0.41540%0.402SS..Hα-helixtrans-61.1-45.7176.4-68.6167000110.9I218 I219 H220 V224 Y225 Q226I218-I222 HydrophobicContact CG2-CD1 3.68Å; I218-I222 HydrophobicContact CG2-CG1 4.39Å; I218-I222 VanDerWaalsContact O-CG1 3.24Å; I218-I222 WeakPolarHBondContact O-CG1 3.26Å; I218-I222 PolarHBondContact O-N 3.47Å; I219-I222 PolarHBondContact O-N 3.45Å; H220-I222 VanDerWaalsContact C-N 3.34Å; H220-I222 PolarHBondContact O-N 2.91Å; I222-V224 PolarHBondContact O-N 3.41Å; I222-Y225 PolarHBondContact O-N 2.79Å; I222-Q226 HydrophobicContact CG2-CG 4.32Å; I222-Q226 WeakPolarHBondContact O-CB 3.25Å; I222-Q226 WeakPolarHBondContact O-CG 3.47Å; I222-Q226 PolarHBondContact O-N 3.33Å
223S75.6Confident72.9Confident27 Ų2783 Ų8319%0.18941%0.409CS..Hα-helixtrans-61.8-43.8179.1177.40000112.3F172 I219 H220 V221 T227F172-S223 WeakPolarHBondContact CE2-OG 3.09Å; I219-S223 WeakPolarHBondContact O-CB 3.38Å; I219-S223 PolarHBondContact O-N 3.27Å; H220-S223 PolarHBondContact O-N 3.42Å; V221-S223 PolarHBondContact O-N 3.02Å; S223-T227 WeakPolarHBondContact O-CB 3.45Å; S223-T227 PolarHBondContact O-N 3.08Å; S223-T227 PolarHBondContact O-OG1 3.06Å
224V75.2Confident73.3Confident53 Ų5387.2 Ų87.232%0.32143%0.43SS..Hα-helixtrans-63-45174.1172.50000110.7H220 V221 I222 T227 I228H220-V224 WeakPolarHBondContact O-CG2 3.37Å; H220-V224 PolarHBondContact O-N 3.34Å; V221-V224 PolarHBondContact O-N 2.85Å; I222-V224 PolarHBondContact O-N 3.41Å; V224-T227 PolarHBondContact O-N 3.47Å; V224-I228 HydrophobicContact CG1-CD1 3.79Å; V224-I228 WeakPolarHBondContact O-CG1 3.25Å; V224-I228 PolarHBondContact O-N 3.36Å
225Y74.8Confident73.3Confident161 Ų16189.7 Ų89.763%0.63144%0.444SS*.Hα-helixtrans-60.7-47.7178.4179.3-95.3000112.2V221 I222 T227 I228 S229V221-Y225 WeakPolarHBondContact O-CB 3.09Å; V221-Y225 PolarHBondContact O-N 3.08Å; I222-Y225 PolarHBondContact O-N 2.79Å; Y225-T227 VanDerWaalsContact C-N 3.28Å; Y225-T227 PolarHBondContact O-N 3.44Å; Y225-I228 PolarHBondContact O-N 2.98Å; Y225-I228 VanDerWaalsContact O-N 3.16Å; Y225-S229 PolarHBondContact O-N 3.11Å; Y225-S229 PolarHBondContact O-OG 2.99Å
226Q76.2Confident73.6Confident117 Ų11791.3 Ų91.355%0.54746%0.456SS..Hα-helixtrans-61.9-35.3177.1-73.6176.9-8.700112.5I222 S229 S230I222-Q226 HydrophobicContact CG2-CG 4.32Å; I222-Q226 WeakPolarHBondContact O-CB 3.25Å; I222-Q226 WeakPolarHBondContact O-CG 3.47Å; I222-Q226 PolarHBondContact O-N 3.33Å; Q226-S229 WeakPolarHBondContact CA-OG 3.1Å; Q226-S229 PolarHBondContact O-OG 3.3Å; Q226-S230 VanDerWaalsContact O-CB 3.29Å; Q226-S230 WeakPolarHBondContact O-CB 3.12Å; Q226-S230 PolarHBondContact O-N 2.94Å; Q226-S230 PolarHBondContact O-OG 3.35Å
227T71.3Confident73.1Confident35 Ų35101.8 Ų101.822%0.21549%0.492CS..Hα-helixtrans-69-38.3176.4-57.60000111.3F172 S223 V224 Y225 S230 R231F172-T227 HydrophobicContact CE1-CG2 4.18Å; F172-T227 WeakPolarHBondContact CE2-OG1 3.19Å; F172-T227 HydrophobicContact CZ-CG2 3.99Å; F172-T227 WeakPolarHBondContact CZ-OG1 3.11Å; S223-T227 WeakPolarHBondContact O-CB 3.45Å; S223-T227 PolarHBondContact O-N 3.08Å; S223-T227 PolarHBondContact O-OG1 3.06Å; V224-T227 PolarHBondContact O-N 3.47Å; Y225-T227 VanDerWaalsContact C-N 3.28Å; Y225-T227 PolarHBondContact O-N 3.44Å; T227-S230 WeakPolarHBondContact CA-OG 3.38Å; T227-S230 PolarHBondContact O-OG 3.21Å; T227-S230 VanDerWaalsContact O-OG 3.06Å; T227-R231 WeakPolarHBondContact O-CB 3.33Å; T227-R231 VanDerWaalsContact O-CG 3.29Å; T227-R231 WeakPolarHBondContact O-CG 3.09Å; T227-R231 PolarHBondContact O-N 3.44Å
228I72Confident73.2Confident78 Ų78103.1 Ų103.140%0.450%0.499SS..Hα-helixtrans-71-41.3176.2-66.3166.6000110.5V224 Y225 R231 R232V224-I228 HydrophobicContact CG1-CD1 3.79Å; V224-I228 WeakPolarHBondContact O-CG1 3.25Å; V224-I228 PolarHBondContact O-N 3.36Å; Y225-I228 PolarHBondContact O-N 2.98Å; Y225-I228 VanDerWaalsContact O-N 3.16Å; I228-R231 PolarHBondContact O-N 2.65Å; I228-R232 WeakPolarHBondContact O-CG 3.22Å; I228-R232 PolarHBondContact O-N 3.32Å
229S73Confident73.1Confident35 Ų35104.1 Ų104.125%0.24550%0.503CS..Hα-helixtrans-66.4-46.3179.469.30000111.7Y225 Q226 R231 R232 E233Y225-S229 PolarHBondContact O-N 3.11Å; Y225-S229 PolarHBondContact O-OG 2.99Å; Q226-S229 WeakPolarHBondContact CA-OG 3.1Å; Q226-S229 PolarHBondContact O-OG 3.3Å; S229-R231 VanDerWaalsContact C-N 3.31Å; S229-R231 PolarHBondContact O-N 3.03Å; S229-R232 WeakPolarHBondContact O-CB 2.84Å; S229-R232 PolarHBondContact O-N 3.5Å; S229-E233 PolarHBondContact O-N 3.47Å
230S75.7Confident73Confident53 Ų53104.3 Ų104.337%0.37150%0.503SS..Hα-helixtrans-61.5-38.4177.255.70000112.3Q226 T227 E233 L234Q226-S230 VanDerWaalsContact O-CB 3.29Å; Q226-S230 WeakPolarHBondContact O-CB 3.12Å; Q226-S230 PolarHBondContact O-N 2.94Å; Q226-S230 PolarHBondContact O-OG 3.35Å; T227-S230 WeakPolarHBondContact CA-OG 3.38Å; T227-S230 PolarHBondContact O-OG 3.21Å; T227-S230 VanDerWaalsContact O-OG 3.06Å; S230-E233 PolarHBondContact O-N 3.42Å; S230-L234 WeakPolarHBondContact O-CG 3.33Å; S230-L234 PolarHBondContact O-N 3.41Å; S230-L234 VanDerWaalsContact O-N 3.09Å
231R69.6Low72.9Confident172 Ų172107.5 Ų107.565%0.64952%0.518SS*.Hα-helixtrans-65.4-36.5172.5-76.6177.7178.9-95.80.3113.1T227 I228 S229 N235T227-R231 WeakPolarHBondContact O-CB 3.33Å; T227-R231 VanDerWaalsContact O-CG 3.29Å; T227-R231 WeakPolarHBondContact O-CG 3.09Å; T227-R231 PolarHBondContact O-N 3.44Å; I228-R231 PolarHBondContact O-N 2.65Å; S229-R231 VanDerWaalsContact C-N 3.31Å; S229-R231 PolarHBondContact O-N 3.03Å; R231-N235 WeakPolarHBondContact O-CB 3.38Å; R231-N235 PolarHBondContact O-N 2.89Å; R231-N235 VanDerWaalsContact O-N 3.08Å
232R71.2Confident72.8Confident179 Ų179109.6 Ų109.668%0.67552%0.523SS*.Hα-helixtrans-66.5-41.7175.8-75.1175.2-177-177.91.9111.6I228 S229 N235 S236I228-R232 WeakPolarHBondContact O-CG 3.22Å; I228-R232 PolarHBondContact O-N 3.32Å; S229-R232 WeakPolarHBondContact O-CB 2.84Å; S229-R232 PolarHBondContact O-N 3.5Å; R232-N235 PolarHBondContact O-N 2.8Å; R232-S236 WeakPolarHBondContact O-CB 3.35Å; R232-S236 PolarHBondContact O-N 3.46Å; R232-S236 VanDerWaalsContact O-N 3.09Å; R232-S236 PolarHBondContact O-OG 2.93Å
233E75.7Confident72.7Confident122 Ų122111.5 Ų111.557%0.5753%0.53SS*.Hα-helixtrans-62.8-45.1176.7-71.7173.4-163.600111.8S229 S230 N235 S236 R237S229-E233 PolarHBondContact O-N 3.47Å; S230-E233 PolarHBondContact O-N 3.42Å; E233-N235 PolarHBondContact O-N 3.48Å; E233-S236 PolarHBondContact O-N 3.36Å; E233-S236 PolarHBondContact O-OG 3.3Å; E233-R237 PolarHBondContact O-N 3.45Å
234L76Confident72.4Confident126 Ų126117.6 Ų117.666%0.6656%0.555SS**Hα-helixtrans-64.2-38.3177-72.3174.4000113S230 S236S230-L234 WeakPolarHBondContact O-CG 3.33Å; S230-L234 PolarHBondContact O-N 3.41Å; S230-L234 VanDerWaalsContact O-N 3.09Å; L234-S236 VanDerWaalsContact C-N 3.27Å; L234-S236 PolarHBondContact O-N 3.1Å
235N68.8Low72.2Confident147 Ų147122.5 Ų122.579%0.78657%0.573SS**Hα-helixtrans-75.6-14.1177-79.33.2000113.7R231 R232 E233R231-N235 WeakPolarHBondContact O-CB 3.38Å; R231-N235 PolarHBondContact O-N 2.89Å; R231-N235 VanDerWaalsContact O-N 3.08Å; R232-N235 PolarHBondContact O-N 2.8Å; E233-N235 PolarHBondContact O-N 3.48Å
236S73.2Confident72Confident96 Ų96119.3 Ų119.367%0.67157%0.568SS**Hα-helixtrans-89.9-10.8178.470.70000114R232 E233 L234R232-S236 WeakPolarHBondContact O-CB 3.35Å; R232-S236 PolarHBondContact O-N 3.46Å; R232-S236 VanDerWaalsContact O-N 3.09Å; R232-S236 PolarHBondContact O-OG 2.93Å; E233-S236 PolarHBondContact O-N 3.36Å; E233-S236 PolarHBondContact O-OG 3.3Å; L234-S236 VanDerWaalsContact C-N 3.27Å; L234-S236 PolarHBondContact O-N 3.1Å
237R61.6Low71.6Confident272 Ų272119.5 Ų119.5100%1.02657%0.57SS**  trans-97.60173.9-69-176.8179.7-167.51.4110.3E233E233-R237 PolarHBondContact O-N 3.45Å

Retrieved 237 of 237 residues in 558 ms (Link to these results)

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