A0A3Q0KQX7_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A3Q0KQX7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 114 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
1M53.2Low48.8Very low193 Ų193112.6 Ų112.695%0.95156%0.56SS**  0-20.20-79.6-179.1173.600114.8
2F38.8Very low49.8Very low163 Ų163107.4 Ų107.472%0.71553%0.531SS*.Hα-helixtrans-68.2-44.1-178.5-167.8-100.1000113.3C4 R5 V6F2-C4 PolarHBondContact O-N 2.84Å; F2-R5 PolarHBondContact O-N 3.31Å; F2-V6 HydrophobicContact CD1-CG2 4.2Å; F2-V6 HydrophobicContact CE1-CG2 3.98Å; F2-V6 PolarHBondContact O-N 2.83Å
3Y43.7Very low50.1Low190 Ų190106.5 Ų106.575%0.74553%0.526SS*.Hα-helixtrans-63.2-34.3-177-59-72.5000114.5R5 V6 L7Y3-R5 PolarHBondContact O-N 2.82Å; Y3-V6 PolarHBondContact O-N 2.68Å; Y3-L7 WeakPolarHBondContact O-CG 3.35Å; Y3-L7 PolarHBondContact O-N 3.34Å
4C40.1Very low50.9Low81 Ų81107.2 Ų107.255%0.54753%0.532SS..Hα-helixtrans-65.5-36.8178.7-65.40000112.7F2 L7 I8F2-C4 PolarHBondContact O-N 2.84Å; C4-L7 PolarHBondContact O-N 3.4Å; C4-I8 WeakPolarHBondContact O-CG1 3.3Å; C4-I8 PolarHBondContact O-N 3.32Å
5R40.6Very low51.3Low151 Ų151105.8 Ų105.857%0.5752%0.521SS*.Hα-helixtrans-69.6-38.3177.6-66.5-174.5176.8-178.1-1.3111.5F2 Y3 I8 I9F2-R5 PolarHBondContact O-N 3.31Å; Y3-R5 PolarHBondContact O-N 2.82Å; R5-I8 PolarHBondContact O-N 3.19Å; R5-I9 WeakPolarHBondContact O-CD1 3.49Å; R5-I9 VanDerWaalsContact O-CG1 3.28Å; R5-I9 WeakPolarHBondContact O-CG1 2.96Å; R5-I9 PolarHBondContact O-N 2.81Å; R5-I9 VanDerWaalsContact O-N 3.15Å
6V48.5Very low51.6Low64 Ų64103.7 Ų103.739%0.38851%0.512SS..Hα-helixtrans-62.9-44.7175.2179.80000110.3F2 Y3 I8 I9 T10F2-V6 HydrophobicContact CD1-CG2 4.2Å; F2-V6 HydrophobicContact CE1-CG2 3.98Å; F2-V6 PolarHBondContact O-N 2.83Å; Y3-V6 PolarHBondContact O-N 2.68Å; V6-I8 VanDerWaalsContact C-N 3.35Å; V6-I8 PolarHBondContact O-N 2.75Å; V6-I9 PolarHBondContact O-N 3.19Å; V6-T10 HydrophobicContact CG1-CG2 4.18Å; V6-T10 WeakPolarHBondContact O-CG2 3.43Å; V6-T10 PolarHBondContact O-N 3.45Å; V6-T10 PolarHBondContact O-OG1 3.28Å
7L50.2Low51.6Low109 Ų109105 Ų10557%0.57152%0.521SS*.Hα-helixtrans-60.3-40.1179-78.1166.3000113.4Y3 C4 T10 S11Y3-L7 WeakPolarHBondContact O-CG 3.35Å; Y3-L7 PolarHBondContact O-N 3.34Å; C4-L7 PolarHBondContact O-N 3.4Å; L7-T10 VanDerWaalsContact CA-OG1 3.31Å; L7-T10 WeakPolarHBondContact CA-OG1 3.48Å; L7-T10 PolarHBondContact O-OG1 3.07Å; L7-S11 VanDerWaalsContact O-CB 3.29Å; L7-S11 WeakPolarHBondContact O-CB 2.99Å; L7-S11 PolarHBondContact O-N 3.21Å; L7-S11 PolarHBondContact O-OG 2.76Å
8I55.3Low51.6Low80 Ų80101.5 Ų101.541%0.4152%0.516SS..Hα-helixtrans-68-44.4178.5-66.2163.8000110.4C4 R5 V6 S11 F12 F78C4-I8 WeakPolarHBondContact O-CG1 3.3Å; C4-I8 PolarHBondContact O-N 3.32Å; R5-I8 PolarHBondContact O-N 3.19Å; V6-I8 VanDerWaalsContact C-N 3.35Å; V6-I8 PolarHBondContact O-N 2.75Å; I8-S11 PolarHBondContact O-N 2.85Å; I8-F12 WeakPolarHBondContact O-CB 2.95Å; I8-F12 PolarHBondContact O-N 2.83Å; I8-F78 HydrophobicContact CG2-CE2 4.12Å
9I57.8Low51.3Low78 Ų7897.4 Ų97.440%0.450%0.496SS..Hα-helixtrans-65-43.9178.7-65.2165.3000110.7R5 V6 S11 F12 M13 F82R5-I9 WeakPolarHBondContact O-CD1 3.49Å; R5-I9 VanDerWaalsContact O-CG1 3.28Å; R5-I9 WeakPolarHBondContact O-CG1 2.96Å; R5-I9 PolarHBondContact O-N 2.81Å; R5-I9 VanDerWaalsContact O-N 3.15Å; V6-I9 PolarHBondContact O-N 3.19Å; I9-S11 VanDerWaalsContact C-N 3.34Å; I9-S11 PolarHBondContact O-N 2.72Å; I9-F12 PolarHBondContact O-N 2.8Å; I9-M13 HydrophobicContact CG2-CG 4.35Å; I9-M13 WeakPolarHBondContact O-CB 3.49Å; I9-M13 VanDerWaalsContact O-CG 3.22Å; I9-M13 WeakPolarHBondContact O-CG 3.4Å; I9-M13 PolarHBondContact O-N 3.29Å; I9-F82 HydrophobicContact CG1-CZ 4.33Å
10T54.2Low50.9Low59 Ų5995 Ų9536%0.36249%0.492SS..Hα-helixtrans-65-39.7177.850.50000111.6V6 L7 M13 I14V6-T10 HydrophobicContact CG1-CG2 4.18Å; V6-T10 WeakPolarHBondContact O-CG2 3.43Å; V6-T10 PolarHBondContact O-N 3.45Å; V6-T10 PolarHBondContact O-OG1 3.28Å; L7-T10 VanDerWaalsContact CA-OG1 3.31Å; L7-T10 WeakPolarHBondContact CA-OG1 3.48Å; L7-T10 PolarHBondContact O-OG1 3.07Å; T10-M13 PolarHBondContact O-N 3Å; T10-I14 WeakPolarHBondContact O-CD1 3.35Å; T10-I14 WeakPolarHBondContact O-CG1 2.97Å; T10-I14 PolarHBondContact O-N 3.38Å
11S54Low50.5Low71 Ų7197.4 Ų97.450%0.49751%0.506SS..Hα-helixtrans-66-40178.2-570000111.6L7 I8 I9 I14 F15L7-S11 VanDerWaalsContact O-CB 3.29Å; L7-S11 WeakPolarHBondContact O-CB 2.99Å; L7-S11 PolarHBondContact O-N 3.21Å; L7-S11 PolarHBondContact O-OG 2.76Å; I8-S11 PolarHBondContact O-N 2.85Å; I9-S11 VanDerWaalsContact C-N 3.34Å; I9-S11 PolarHBondContact O-N 2.72Å; S11-I14 PolarHBondContact O-N 3.48Å; S11-F15 WeakPolarHBondContact O-CB 3.44Å; S11-F15 PolarHBondContact O-N 2.63Å
12F61.6Low49.8Very low50 Ų5092 Ų9222%0.21949%0.486CS..Hα-helixtrans-69.1-36.7174.9-171.1-95.1000112.6I8 I9 F15 L16 F78 F82I8-F12 WeakPolarHBondContact O-CB 2.95Å; I8-F12 PolarHBondContact O-N 2.83Å; I9-F12 PolarHBondContact O-N 2.8Å; F12-F15 WeakPolarHBondContact O-CB 3.47Å; F12-F15 PolarHBondContact O-N 3.39Å; F12-L16 HydrophobicContact CD1-CD1 3.71Å; F12-L16 HydrophobicContact CD1-CG 4.05Å; F12-L16 HydrophobicContact CE1-CD1 3.41Å; F12-L16 VanDerWaalsContact CE1-CD1 3.41Å; F12-L16 HydrophobicContact CE1-CD2 4.33Å; F12-L16 HydrophobicContact CE1-CG 3.8Å; F12-L16 HydrophobicContact CZ-CD1 4.32Å; F12-L16 HydrophobicContact CZ-CD2 4.5Å; F12-L16 HydrophobicContact CZ-CG 4.33Å; F12-L16 WeakPolarHBondContact O-CB 3.47Å; F12-L16 WeakPolarHBondContact O-CG 3.04Å; F12-L16 PolarHBondContact O-N 3.01Å; F12-F78 HydrophobicContact CB-CZ 4.47Å; F12-F78 AromaticContact CD2-CE1 3.68Å; F12-F78 HydrophobicContact CD2-CE1 3.68Å; F12-F78 AromaticContact CD2-CZ 3.71Å; F12-F78 HydrophobicContact CD2-CZ 3.71Å; F12-F78 AromaticContact CE2-CE1 3.56Å; F12-F78 HydrophobicContact CE2-CE1 3.56Å; F12-F78 HydrophobicContact CE2-CZ 4.1Å; F12-F78 HydrophobicContact CG-CE1 4.33Å; F12-F78 HydrophobicContact CG-CZ 4.1Å; F12-F78 HydrophobicContact CZ-CE1 4.09Å; F12-F82 HydrophobicContact CB-CE1 4.09Å; F12-F82 HydrophobicContact CB-CE2 4.45Å; F12-F82 HydrophobicContact CB-CZ 3.76Å; F12-F82 AromaticContact CD1-CD1 3.23Å; F12-F82 HydrophobicContact CD1-CD1 3.23Å; F12-F82 HydrophobicContact CD1-CD2 4.06Å; F12-F82 AromaticContact CD1-CE1 3.04Å; F12-F82 HydrophobicContact CD1-CE1 3.04Å; F12-F82 AromaticContact CD1-CE2 3.92Å; F12-F82 HydrophobicContact CD1-CE2 3.92Å; F12-F82 AromaticContact CD1-CG 3.74Å; F12-F82 HydrophobicContact CD1-CG 3.74Å; F12-F82 AromaticContact CD1-CZ 3.41Å; F12-F82 HydrophobicContact CD1-CZ 3.41Å; F12-F82 VanDerWaalsContact CD1-CZ 3.41Å; F12-F82 HydrophobicContact CE1-CB 3.92Å; F12-F82 AromaticContact CE1-CD1 3.2Å; F12-F82 HydrophobicContact CE1-CD1 3.2Å; F12-F82 AromaticContact CE1-CD2 3.9Å; F12-F82 HydrophobicContact CE1-CD2 3.9Å; F12-F82 AromaticContact CE1-CE1 3.6Å; F12-F82 HydrophobicContact CE1-CE1 3.6Å; F12-F82 HydrophobicContact CE1-CE2 4.24Å; F12-F82 AromaticContact CE1-CG 3.37Å; F12-F82 HydrophobicContact CE1-CG 3.37Å; F12-F82 HydrophobicContact CE1-CZ 4.09Å; F12-F82 HydrophobicContact CG-CD1 4.29Å; F12-F82 AromaticContact CG-CE1 3.82Å; F12-F82 HydrophobicContact CG-CE1 3.82Å; F12-F82 HydrophobicContact CG-CE2 4.1Å; F12-F82 AromaticContact CG-CZ 3.7Å; F12-F82 HydrophobicContact CG-CZ 3.7Å; F12-F82 HydrophobicContact CZ-CB 4.41Å; F12-F82 HydrophobicContact CZ-CD1 4.31Å; F12-F82 HydrophobicContact CZ-CD2 4.33Å; F12-F82 HydrophobicContact CZ-CG 4.08Å
13M53.7Low49.8Very low95 Ų9589.5 Ų89.547%0.46848%0.48SS..Hα-helixtrans-66.5-38173.9-73.3-72.7142.100112.1I9 T10 L16 L17 F82I9-M13 HydrophobicContact CG2-CG 4.35Å; I9-M13 WeakPolarHBondContact O-CB 3.49Å; I9-M13 VanDerWaalsContact O-CG 3.22Å; I9-M13 WeakPolarHBondContact O-CG 3.4Å; I9-M13 PolarHBondContact O-N 3.29Å; T10-M13 PolarHBondContact O-N 3Å; M13-L16 HydrophobicContact CE-CD1 4.12Å; M13-L16 PolarHBondContact O-N 3.43Å; M13-L16 HydrophobicContact SD-CD1 4.46Å; M13-L17 WeakPolarHBondContact O-CB 3.44Å; M13-L17 PolarHBondContact O-N 2.97Å; M13-F82 HydrophobicContact CE-CD1 3.74Å; M13-F82 HydrophobicContact CE-CE1 3.58Å
14I60.6Low49.8Very low117 Ų11785.4 Ų85.460%0.647%0.47SS*.Hα-helixtrans-66.2-42173.2-68.5162.2000110.4T10 S11 L17 G18T10-I14 WeakPolarHBondContact O-CD1 3.35Å; T10-I14 WeakPolarHBondContact O-CG1 2.97Å; T10-I14 PolarHBondContact O-N 3.38Å; S11-I14 PolarHBondContact O-N 3.48Å; I14-L17 PolarHBondContact O-N 2.86Å; I14-G18 PolarHBondContact O-N 3.27Å
15F57.2Low50Low86 Ų8688 Ų8838%0.37748%0.477SS..Hα-helixtrans-59.1-48.1173.7-178.2-95.4000110.8S11 F12 L17 G18 T19S11-F15 WeakPolarHBondContact O-CB 3.44Å; S11-F15 PolarHBondContact O-N 2.63Å; F12-F15 WeakPolarHBondContact O-CB 3.47Å; F12-F15 PolarHBondContact O-N 3.39Å; F15-L17 PolarHBondContact O-N 3.34Å; F15-G18 PolarHBondContact O-N 3.15Å; F15-T19 HydrophobicContact CD1-CG2 4.18Å; F15-T19 HydrophobicContact CE1-CG2 3.82Å; F15-T19 HydrophobicContact CE2-CG2 4.36Å; F15-T19 HydrophobicContact CZ-CG2 3.91Å; F15-T19 WeakPolarHBondContact O-CB 3.42Å; F15-T19 WeakPolarHBondContact O-CG2 3.31Å; F15-T19 PolarHBondContact O-N 2.67Å; F15-T19 PolarHBondContact O-OG1 3.37Å
16L55.5Low50Low72 Ų7285.2 Ų85.238%0.37747%0.474SS..Hα-helixtrans-59.6-42.9174.8-77.6177.4000112.6F12 M13 G18 T19 A20F12-L16 HydrophobicContact CD1-CD1 3.71Å; F12-L16 HydrophobicContact CD1-CG 4.05Å; F12-L16 HydrophobicContact CE1-CD1 3.41Å; F12-L16 VanDerWaalsContact CE1-CD1 3.41Å; F12-L16 HydrophobicContact CE1-CD2 4.33Å; F12-L16 HydrophobicContact CE1-CG 3.8Å; F12-L16 HydrophobicContact CZ-CD1 4.32Å; F12-L16 HydrophobicContact CZ-CD2 4.5Å; F12-L16 HydrophobicContact CZ-CG 4.33Å; F12-L16 WeakPolarHBondContact O-CB 3.47Å; F12-L16 WeakPolarHBondContact O-CG 3.04Å; F12-L16 PolarHBondContact O-N 3.01Å; M13-L16 HydrophobicContact CE-CD1 4.12Å; M13-L16 PolarHBondContact O-N 3.43Å; M13-L16 HydrophobicContact SD-CD1 4.46Å; L16-G18 VanDerWaalsContact C-N 3.34Å; L16-T19 WeakPolarHBondContact CA-OG1 3.37Å; L16-T19 CarbonylContact O-C 3.53Å; L16-T19 PolarHBondContact O-N 2.98Å; L16-T19 PolarHBondContact O-OG1 3.46Å; L16-A20 WeakPolarHBondContact O-CB 3.29Å; L16-A20 PolarHBondContact O-N 3.42Å
17L52.3Low49.9Very low126 Ų12684 Ų8466%0.6647%0.466SS*.Hα-helixtrans-67.1-35.8178.2-149.180.2000111.9M13 I14 F15 A20M13-L17 WeakPolarHBondContact O-CB 3.44Å; M13-L17 PolarHBondContact O-N 2.97Å; I14-L17 PolarHBondContact O-N 2.86Å; F15-L17 PolarHBondContact O-N 3.34Å; L17-A20 PolarHBondContact O-N 2.95Å
18G50.9Low49.5Very low42 Ų4283.2 Ų83.243%0.43346%0.462SS..Hα-helixtrans-67.6-43.4172.900000112I14 F15 L16 A20I14-G18 PolarHBondContact O-N 3.27Å; F15-G18 PolarHBondContact O-N 3.15Å; L16-G18 VanDerWaalsContact C-N 3.34Å; G18-A20 VanDerWaalsContact C-N 3.33Å
19T47Very low48.7Very low23 Ų2382.4 Ų82.414%0.14146%0.463CS..Hα-helixtrans-73.6-20.8174.656.50000113.5F15 L16 N21 C22 V27F15-T19 HydrophobicContact CD1-CG2 4.18Å; F15-T19 HydrophobicContact CE1-CG2 3.82Å; F15-T19 HydrophobicContact CE2-CG2 4.36Å; F15-T19 HydrophobicContact CZ-CG2 3.91Å; F15-T19 WeakPolarHBondContact O-CB 3.42Å; F15-T19 WeakPolarHBondContact O-CG2 3.31Å; F15-T19 PolarHBondContact O-N 2.67Å; F15-T19 PolarHBondContact O-OG1 3.37Å; L16-T19 WeakPolarHBondContact CA-OG1 3.37Å; L16-T19 CarbonylContact O-C 3.53Å; L16-T19 PolarHBondContact O-N 2.98Å; L16-T19 PolarHBondContact O-OG1 3.46Å; T19-N21 VanDerWaalsContact C-N 3.31Å; T19-C22 CarbonylContact O-C 3.58Å; T19-C22 PolarHBondContact O-N 3.1Å; T19-V27 HydrophobicContact CG2-CG1 4.2Å; T19-V27 HydrophobicContact CG2-CG2 3.91Å
20A42.7Very low48.1Very low50 Ų5084.7 Ų84.741%0.41348%0.476SS..Hα-helixtrans-73.4-25.9177.500000112.2L16 L17 G18 I24L16-A20 WeakPolarHBondContact O-CB 3.29Å; L16-A20 PolarHBondContact O-N 3.42Å; L17-A20 PolarHBondContact O-N 2.95Å; G18-A20 VanDerWaalsContact C-N 3.33Å; A20-I24 HydrophobicContact CB-CD1 4.4Å
21N42.7Very low47.5Very low146 Ų14686.5 Ų86.578%0.78148%0.482SS*.SBendtrans-87.3-13.3174.2-71.4-17.1000113.2T19T19-N21 VanDerWaalsContact C-N 3.31Å
22C39.3Very low47.1Very low78 Ų7890.5 Ų90.553%0.52749%0.491SS..SBendtrans-123.991.4-177.4-61.90000108.2T19 I24T19-C22 CarbonylContact O-C 3.58Å; T19-C22 PolarHBondContact O-N 3.1Å; C22-I24 PolarHBondContact O-N 3.03Å
23D37Very low46.1Very low112 Ų11290.9 Ų90.960%0.59951%0.509SS*.  trans5066.2161.4-60.3-57.4000114.5I25 D26 V27D23-I25 CarbonylContact O-C 3.59Å; D23-I25 PolarHBondContact O-N 2.93Å; D23-D26 HydrophobicContact CB-CB 3.73Å; D23-D26 WeakPolarHBondContact O-CA 3.28Å; D23-D26 PolarHBondContact O-N 3.2Å; D23-V27 PolarHBondContact O-N 3.47Å
24I44.7Very low45.5Very low103 Ų10390.1 Ų90.153%0.52853%0.526SS..Hα-helixtrans-44.5-30.8170.7-69.9169.2000111.6A20 C22 L28A20-I24 HydrophobicContact CB-CD1 4.4Å; C22-I24 PolarHBondContact O-N 3.03Å; I24-L28 WeakPolarHBondContact O-CB 3.48Å; I24-L28 PolarHBondContact O-N 3.2Å
25I43.7Very low44.5Very low135 Ų13592.1 Ų92.169%0.69254%0.538SS*.Hα-helixtrans-72.9-41.3175.7-63.7171.7000112.3D23 V27 L28 S29D23-I25 CarbonylContact O-C 3.59Å; D23-I25 PolarHBondContact O-N 2.93Å; I25-V27 VanDerWaalsContact C-N 3.34Å; I25-L28 PolarHBondContact O-N 3.43Å; I25-S29 VanDerWaalsContact O-CB 3.22Å; I25-S29 WeakPolarHBondContact O-CB 3.45Å; I25-S29 PolarHBondContact O-N 3.35Å; I25-S29 PolarHBondContact O-OG 2.88Å
26D41Very low43.7Very low94 Ų9490.8 Ų90.850%0.50355%0.548SS..Hα-helixtrans-67.7-37.2173.5-95.9-22000111.3D23 S29 L30D23-D26 HydrophobicContact CB-CB 3.73Å; D23-D26 WeakPolarHBondContact O-CA 3.28Å; D23-D26 PolarHBondContact O-N 3.2Å; D26-S29 CarbonylContact O-C 3.57Å; D26-S29 PolarHBondContact O-N 3.14Å; D26-L30 WeakPolarHBondContact O-CB 3.27Å; D26-L30 VanDerWaalsContact O-CD1 3.24Å; D26-L30 WeakPolarHBondContact O-CD1 3.33Å; D26-L30 PolarHBondContact O-N 3.43Å
27V45.4Very low42.9Very low37 Ų3793.2 Ų93.222%0.22456%0.562CS.*Hα-helixtrans-66.5-41.5176.9178.70000110.4T19 D23 I25 L30 L31T19-V27 HydrophobicContact CG2-CG1 4.2Å; T19-V27 HydrophobicContact CG2-CG2 3.91Å; D23-V27 PolarHBondContact O-N 3.47Å; I25-V27 VanDerWaalsContact C-N 3.34Å; V27-L30 PolarHBondContact O-N 3.38Å; V27-L31 HydrophobicContact CG1-CD1 3.86Å; V27-L31 WeakPolarHBondContact O-CB 3.35Å; V27-L31 WeakPolarHBondContact O-CD1 3.31Å; V27-L31 PolarHBondContact O-N 3.05Å
28L42.4Very low42.4Very low94 Ų9496.8 Ų96.849%0.49257%0.572SS.*Hα-helixtrans-66.3-37.8170.8-120.579.7000112.5I24 I25 L30 L31 F32I24-L28 WeakPolarHBondContact O-CB 3.48Å; I24-L28 PolarHBondContact O-N 3.2Å; I25-L28 PolarHBondContact O-N 3.43Å; L28-L30 VanDerWaalsContact C-N 3.3Å; L28-L31 PolarHBondContact O-N 3.13Å; L28-F32 HydrophobicContact CG-CD2 4.15Å; L28-F32 HydrophobicContact CG-CE2 4.28Å; L28-F32 WeakPolarHBondContact O-CD2 3.16Å; L28-F32 PolarHBondContact O-N 2.72Å
29S39.5Very low42.2Very low62 Ų62100.8 Ų100.843%0.43458%0.583SS.*Hα-helixtrans-68-31.6177.5-57.50000111.5I25 D26 G33I25-S29 VanDerWaalsContact O-CB 3.22Å; I25-S29 WeakPolarHBondContact O-CB 3.45Å; I25-S29 PolarHBondContact O-N 3.35Å; I25-S29 PolarHBondContact O-OG 2.88Å; D26-S29 CarbonylContact O-C 3.57Å; D26-S29 PolarHBondContact O-N 3.14Å; S29-G33 WeakPolarHBondContact O-CA 3.21Å; S29-G33 PolarHBondContact O-N 2.85Å
30L43.5Very low42.2Very low126 Ų126107 Ų10766%0.6661%0.614SS**Hα-helixtrans-74-37.3169.8-97.8111.2000112.2D26 V27 L28D26-L30 WeakPolarHBondContact O-CB 3.27Å; D26-L30 VanDerWaalsContact O-CD1 3.24Å; D26-L30 WeakPolarHBondContact O-CD1 3.33Å; D26-L30 PolarHBondContact O-N 3.43Å; V27-L30 PolarHBondContact O-N 3.38Å; L28-L30 VanDerWaalsContact C-N 3.3Å
31L43Very low42.1Very low97 Ų97113.3 Ų113.351%0.50863%0.627SS.*Hα-helixtrans-72.9-30.3178.9-101.3114.3000113.9V27 L28V27-L31 HydrophobicContact CG1-CD1 3.86Å; V27-L31 WeakPolarHBondContact O-CB 3.35Å; V27-L31 WeakPolarHBondContact O-CD1 3.31Å; V27-L31 PolarHBondContact O-N 3.05Å; L28-L31 PolarHBondContact O-N 3.13Å
32F45.7Very low42.3Very low156 Ų156115.9 Ų115.968%0.68463%0.626SS**Hα-helixtrans-119.8-8.9-176-68-79.8000114.7L28 G34L28-F32 HydrophobicContact CG-CD2 4.15Å; L28-F32 HydrophobicContact CG-CE2 4.28Å; L28-F32 WeakPolarHBondContact O-CD2 3.16Å; L28-F32 PolarHBondContact O-N 2.72Å; F32-G34 PolarHBondContact O-N 2.95Å; F32-G34 VanDerWaalsContact O-N 3.16Å
33G40.4Very low42.3Very low57 Ų57119 Ų11959%0.58864%0.638SS**THydrogen-bonded Turntrans-81.318-174.300000116.4S29S29-G33 WeakPolarHBondContact O-CA 3.21Å; S29-G33 PolarHBondContact O-N 2.85Å
34G41.5Very low42.8Very low80 Ų80125 Ų12583%0.82565%0.652SS**THydrogen-bonded Turntrans-87.30.5-177.800000116.2F32F32-G34 PolarHBondContact O-N 2.95Å; F32-G34 VanDerWaalsContact O-N 3.16Å
35N39.3Very low42.6Very low158 Ų158127.3 Ų127.385%0.84567%0.665SS**SBendtrans-109.570.5173.3-158.87.8000110.5N37N35-N37 PolarHBondContact O-N 2.89Å
36G40Very low42.4Very low58 Ų58132.5 Ų132.560%0.59868%0.676SS**  trans-61.2101.4176.200000111.3K38G36-K38 PolarHBondContact O-N 3.32Å; G36-K38 VanDerWaalsContact O-N 3.1Å
37N39.8Very low42Very low123 Ų123132.2 Ų132.266%0.65870%0.695SS**  trans-41.1115.2158.3-176.75.1000109.5N35 N39N35-N37 PolarHBondContact O-N 2.89Å; N37-N39 PolarHBondContact O-N 3.38Å
38K41.5Very low41.7Very low202 Ų202133.8 Ų133.888%0.87872%0.719SS**THydrogen-bonded Turntrans-66.418.9-168.1-65.8178.5179176.60115.2G36G36-K38 PolarHBondContact O-N 3.32Å; G36-K38 VanDerWaalsContact O-N 3.1Å
39N45.6Very low41.7Very low126 Ų126137.3 Ų137.367%0.67474%0.738SS**THydrogen-bonded Turntrans-118.33.5-172.7-82.6-4.9000115.3N37 R41N37-N39 PolarHBondContact O-N 3.38Å; N39-R41 PolarHBondContact O-N 2.93Å
40I47.2Very low41.9Very low153 Ų153140.3 Ų140.379%0.78576%0.759SS**  trans-8271.7169.4-55.3177.6000108.5R42I40-R42 PolarHBondContact O-N 3.43Å
41R41.7Very low41.8Very low183 Ų183135.4 Ų135.469%0.69174%0.739SS**  trans-57.2120.2170-78176.6164.2-154-2.2108.9N39N39-R41 PolarHBondContact O-N 2.93Å
42R45.4Very low41.7Very low200 Ų200133.5 Ų133.576%0.75574%0.743SS**SBendtrans6373140.3-52.1173.5-148.31720.9116.1I40I40-R42 PolarHBondContact O-N 3.43Å
43N40.3Very low41.8Very low144 Ų144130 Ų13077%0.7773%0.731SS**  trans-170.769.8144.7-157.613.6000114.7
44R48.3Very low42Very low238 Ų238130.4 Ų130.490%0.89873%0.725SS**  trans-145.673.2161.1-79.2-167.8-85.2-179.7-2.7109.5
45N39.8Very low42.2Very low150 Ų150131.9 Ų131.980%0.80271%0.714SS**  trans-58.2139.8161.7-74.4-24.1000108.8
46R39.8Very low42.7Very low245 Ų245129.1 Ų129.193%0.92570%0.695SS**SBendtrans76.7105175.9-69.3177.7167.9147.8-3116.3
47G31.8Very low43.3Very low87 Ų87129.2 Ų129.290%0.89768%0.681SS**  66.1117.3113.300000117.1
48G39.5Very low44Very low71 Ų71127.2 Ų127.273%0.73267%0.673SS**  trans160.4101.1163.300000111.4S50G48-S50 PolarHBondContact O-N 3.49Å
49D41.8Very low44.3Very low168 Ų168120.6 Ų120.690%0.89865%0.652SS**  trans-48100.9178.1-72-48.3000113.3G51D49-G51 PolarHBondContact O-N 2.89Å
50S43Very low44.5Very low124 Ų124117.6 Ų117.687%0.86764%0.636SS**THydrogen-bonded Turntrans-88.243168.451.20000111.9G48G48-S50 PolarHBondContact O-N 3.49Å
51G42.9Very low44.6Very low24 Ų24114.6 Ų114.625%0.24762%0.617CS.*THydrogen-bonded Turntrans-96.8-14.3174.100000114.5D49 L53 S54 D55D49-G51 PolarHBondContact O-N 2.89Å; G51-L53 PolarHBondContact O-N 2.84Å; G51-S54 PolarHBondContact O-OG 3.24Å; G51-S54 VanDerWaalsContact O-OG 3.1Å; G51-D55 VanDerWaalsContact O-CB 3.27Å; G51-D55 WeakPolarHBondContact O-CB 3.22Å; G51-D55 PolarHBondContact O-N 3.34Å
52G41.1Very low44.9Very low57 Ų57111.7 Ų111.759%0.58862%0.616SS**Hα-helixtrans-64.8-29.1-165.100000116.4F56G52-F56 WeakPolarHBondContact O-CB 3.41Å; G52-F56 PolarHBondContact O-N 3.03Å
53L46.2Very low44.9Very low81 Ų81112.9 Ų112.942%0.42462%0.62SS.*Hα-helixtrans-96.7-31-175.2-149.2144.3000112.5G51 F56 L57G51-L53 PolarHBondContact O-N 2.84Å; L53-F56 PolarHBondContact O-N 3.16Å; L53-L57 HydrophobicContact CD2-CD1 3.69Å; L53-L57 HydrophobicContact CD2-CG 4.08Å; L53-L57 WeakPolarHBondContact O-CB 3.31Å; L53-L57 WeakPolarHBondContact O-CG 3.44Å; L53-L57 PolarHBondContact O-N 2.85Å
54S45.4Very low45.2Very low67 Ų67109.6 Ų109.647%0.46960%0.603SS.*Hα-helixtrans-67.9-39166.355.40000110.7G51 T58G51-S54 PolarHBondContact O-OG 3.24Å; G51-S54 VanDerWaalsContact O-OG 3.1Å; S54-T58 WeakPolarHBondContact O-CA 3.44Å; S54-T58 WeakPolarHBondContact O-CB 3.43Å; S54-T58 PolarHBondContact O-N 3.35Å; S54-T58 PolarHBondContact O-OG1 3.35Å
55D46.7Very low44.9Very low110 Ų110100.3 Ų100.359%0.58858%0.581SS**Hα-helixtrans-71-32.8173.8-77.9-13.6000112G51 S59G51-D55 VanDerWaalsContact O-CB 3.27Å; G51-D55 WeakPolarHBondContact O-CB 3.22Å; G51-D55 PolarHBondContact O-N 3.34Å; D55-S59 WeakPolarHBondContact O-CA 3.47Å; D55-S59 WeakPolarHBondContact O-CB 3.33Å; D55-S59 PolarHBondContact O-N 3.28Å
56F49.5Very low44.9Very low101 Ų101101.5 Ų101.544%0.44359%0.588SS.*Hα-helixtrans-70.1-43.5173.3176.9-104000112.6G52 L53 S59 L60G52-F56 WeakPolarHBondContact O-CB 3.41Å; G52-F56 PolarHBondContact O-N 3.03Å; L53-F56 PolarHBondContact O-N 3.16Å; F56-S59 CarbonylContact O-C 3.53Å; F56-S59 WeakPolarHBondContact O-CB 3.4Å; F56-S59 PolarHBondContact O-N 3.1Å; F56-L60 HydrophobicContact CD1-CD1 4.11Å; F56-L60 HydrophobicContact CD2-CD1 4.37Å; F56-L60 HydrophobicContact CE1-CD1 3.49Å; F56-L60 VanDerWaalsContact CE1-CD1 3.49Å; F56-L60 HydrophobicContact CE2-CD1 3.78Å; F56-L60 HydrophobicContact CZ-CD1 3.3Å; F56-L60 WeakPolarHBondContact O-CB 3.34Å; F56-L60 PolarHBondContact O-N 2.85Å
57L51.3Low44.8Very low60 Ų6092.8 Ų92.831%0.31457%0.574SS.*Hα-helixtrans-69.5-43175.8-72.8173.6000110.8L53 S59 L60 F61 F75L53-L57 HydrophobicContact CD2-CD1 3.69Å; L53-L57 HydrophobicContact CD2-CG 4.08Å; L53-L57 WeakPolarHBondContact O-CB 3.31Å; L53-L57 WeakPolarHBondContact O-CG 3.44Å; L53-L57 PolarHBondContact O-N 2.85Å; L57-S59 VanDerWaalsContact C-N 3.31Å; L57-S59 PolarHBondContact O-N 2.82Å; L57-L60 CarbonylContact O-C 3.38Å; L57-L60 WeakPolarHBondContact O-CB 3.21Å; L57-L60 PolarHBondContact O-N 3.4Å; L57-L60 VanDerWaalsContact O-N 3.07Å; L57-F61 HydrophobicContact CB-CD2 4.4Å; L57-F61 HydrophobicContact CB-CE2 4.37Å; L57-F61 HydrophobicContact CD2-CE2 4.42Å; L57-F61 WeakPolarHBondContact O-CD2 3.48Å; L57-F61 PolarHBondContact O-N 2.83Å; L57-F75 HydrophobicContact CD1-CE2 4.35Å
58T54.2Low45.1Very low80 Ų8095.5 Ų95.549%0.49156%0.558SS.*Hα-helixtrans-61-43.4172.8-58.10000109.4S54 L60 F61 D62S54-T58 WeakPolarHBondContact O-CA 3.44Å; S54-T58 WeakPolarHBondContact O-CB 3.43Å; S54-T58 PolarHBondContact O-N 3.35Å; S54-T58 PolarHBondContact O-OG1 3.35Å; T58-L60 VanDerWaalsContact C-N 3.33Å; T58-L60 PolarHBondContact O-N 3.01Å; T58-F61 CarbonylContact O-C 3.54Å; T58-F61 PolarHBondContact O-N 3.44Å; T58-D62 WeakPolarHBondContact O-CA 3.21Å; T58-D62 WeakPolarHBondContact O-CB 3.38Å; T58-D62 PolarHBondContact O-N 2.69Å
59S49.3Very low44.9Very low63 Ų63104.5 Ų104.544%0.44157%0.57SS.*Hα-helixtrans-59.6-39171.3169.30000112.3D55 F56 L57 W63D55-S59 WeakPolarHBondContact O-CA 3.47Å; D55-S59 WeakPolarHBondContact O-CB 3.33Å; D55-S59 PolarHBondContact O-N 3.28Å; F56-S59 CarbonylContact O-C 3.53Å; F56-S59 WeakPolarHBondContact O-CB 3.4Å; F56-S59 PolarHBondContact O-N 3.1Å; L57-S59 VanDerWaalsContact C-N 3.31Å; L57-S59 PolarHBondContact O-N 2.82Å; S59-W63 WeakPolarHBondContact O-CA 3.5Å; S59-W63 WeakPolarHBondContact O-CB 3.24Å; S59-W63 PolarHBondContact O-N 2.94Å
60L50.2Low44.8Very low63 Ų63100.2 Ų100.233%0.3357%0.565SS.*Hα-helixtrans-69.7-33176.7-122114.7000112.7F56 L57 T58 N64F56-L60 HydrophobicContact CD1-CD1 4.11Å; F56-L60 HydrophobicContact CD2-CD1 4.37Å; F56-L60 HydrophobicContact CE1-CD1 3.49Å; F56-L60 VanDerWaalsContact CE1-CD1 3.49Å; F56-L60 HydrophobicContact CE2-CD1 3.78Å; F56-L60 HydrophobicContact CZ-CD1 3.3Å; F56-L60 WeakPolarHBondContact O-CB 3.34Å; F56-L60 PolarHBondContact O-N 2.85Å; L57-L60 CarbonylContact O-C 3.38Å; L57-L60 WeakPolarHBondContact O-CB 3.21Å; L57-L60 PolarHBondContact O-N 3.4Å; L57-L60 VanDerWaalsContact O-N 3.07Å; T58-L60 VanDerWaalsContact C-N 3.33Å; T58-L60 PolarHBondContact O-N 3.01Å; L60-N64 PolarHBondContact O-ND2 2.88Å
61F49.4Very low44.8Very low90 Ų9097.5 Ų97.540%0.39555%0.546SS..Hα-helixtrans-84.6-33.1178.1-72.5-65.4000112.4L57 T58 N64 F75L57-F61 HydrophobicContact CB-CD2 4.4Å; L57-F61 HydrophobicContact CB-CE2 4.37Å; L57-F61 HydrophobicContact CD2-CE2 4.42Å; L57-F61 WeakPolarHBondContact O-CD2 3.48Å; L57-F61 PolarHBondContact O-N 2.83Å; T58-F61 CarbonylContact O-C 3.54Å; T58-F61 PolarHBondContact O-N 3.44Å; F61-N64 WeakPolarHBondContact O-CB 3.35Å; F61-N64 PolarHBondContact O-N 3.23Å; F61-F75 AromaticContact CE2-CD2 3.84Å; F61-F75 HydrophobicContact CE2-CD2 3.84Å; F61-F75 HydrophobicContact CZ-CB 4.32Å; F61-F75 AromaticContact CZ-CD2 3.83Å; F61-F75 HydrophobicContact CZ-CD2 3.83Å
62D47.9Very low45Very low123 Ų12399.6 Ų99.666%0.65857%0.568SS**Hα-helixtrans-81.2-30.4178.8-157.538.6000111.2T58 N64 G65T58-D62 WeakPolarHBondContact O-CA 3.21Å; T58-D62 WeakPolarHBondContact O-CB 3.38Å; T58-D62 PolarHBondContact O-N 2.69Å; D62-N64 PolarHBondContact O-N 3.42Å; D62-G65 VanDerWaalsContact O-CA 3.3Å; D62-G65 WeakPolarHBondContact O-CA 3.39Å; D62-G65 PolarHBondContact O-N 2.77Å
63W45.2Very low45.3Very low224 Ų224102.7 Ų102.785%0.84857%0.566SS**THydrogen-bonded Turntrans-65.8-22.6166.2-169.8-69.6000112.3S59 G65S59-W63 WeakPolarHBondContact O-CA 3.5Å; S59-W63 WeakPolarHBondContact O-CB 3.24Å; S59-W63 PolarHBondContact O-N 2.94Å; W63-G65 VanDerWaalsContact C-N 3.27Å
64N45.7Very low45.5Very low76 Ų76103.8 Ų103.841%0.40657%0.572SS.*THydrogen-bonded Turntrans-851.7168-77.7-59.3000113L60 F61 D62L60-N64 PolarHBondContact O-ND2 2.88Å; F61-N64 WeakPolarHBondContact O-CB 3.35Å; F61-N64 PolarHBondContact O-N 3.23Å; D62-N64 PolarHBondContact O-N 3.42Å
65G42Very low45.6Very low43 Ų43104.9 Ų104.944%0.44357%0.568SS.*THydrogen-bonded Turntrans-80.2-9.9-171.800000116.7D62 W63D62-G65 VanDerWaalsContact O-CA 3.3Å; D62-G65 WeakPolarHBondContact O-CA 3.39Å; D62-G65 PolarHBondContact O-N 2.77Å; W63-G65 VanDerWaalsContact C-N 3.27Å
66D40.2Very low45.8Very low175 Ų175107.8 Ų107.894%0.93657%0.572SS**THydrogen-bonded Turntrans-103.718.2-177.6-110.3-11.4000114.9
67G38.3Very low45.9Very low62 Ų62106.2 Ų106.264%0.63957%0.569SS**THydrogen-bonded Turntrans-161.2-6.8178.600000118
68Y36.4Very low45.9Very low144 Ų144105.6 Ų105.657%0.56556%0.563SS**  trans-122.251.1-175.4-69.7-82000113G70Y68-G70 PolarHBondContact O-N 3.46Å
69R36Very low45.9Very low260 Ų260103.9 Ų103.998%0.98155%0.551SS**THydrogen-bonded Turntrans-66.727.5166.7-74.4-177.780.1-173.46.5113.8
70G40.5Very low45.9Very low77 Ų77104.4 Ų104.479%0.79455%0.554SS**THydrogen-bonded Turntrans-159.72.9-171.300000118.1Y68Y68-G70 PolarHBondContact O-N 3.46Å
71S41.9Very low46Very low67 Ų67106.8 Ų106.847%0.46957%0.567SS.*  trans-123.1106.7174.668.90000110.3F73S71-F73 PolarHBondContact O-N 3.21Å
72G46.9Very low46Very low69 Ų69104.6 Ų104.671%0.71156%0.557SS**  trans-6856.5177.900000113.4N74G72-N74 PolarHBondContact O-N 2.97Å
73F47.4Very low46Very low122 Ų122104.2 Ų104.254%0.53555%0.55SS..  trans-80.795.3174.3-150.3-94.3000107.5S71 D77 F78S71-F73 PolarHBondContact O-N 3.21Å; F73-D77 HydrophobicContact CD1-CB 4.37Å; F73-D77 HydrophobicContact CE1-CB 4.12Å; F73-D77 HydrophobicContact CE2-CB 4.33Å; F73-D77 HydrophobicContact CZ-CB 4.09Å; F73-F78 HydrophobicContact CE1-CB 4.36Å
74N51.2Low45.9Very low103 Ų10396.1 Ų96.155%0.55154%0.537SS*.  trans-78.1152.3-176-82.2-58.2000110.7G72 Y76 D77 F78G72-N74 PolarHBondContact O-N 2.97Å; N74-Y76 PolarHBondContact O-N 2.96Å; N74-D77 PolarHBondContact N-OD2 2.77Å; N74-D77 WeakPolarHBondContact O-CA 3.21Å; N74-D77 WeakPolarHBondContact O-CB 3.45Å; N74-D77 PolarHBondContact O-N 3.23Å; N74-F78 PolarHBondContact O-N 3.3Å
75F47.6Very low45.7Very low90 Ų9099.5 Ų99.540%0.39555%0.554SS.*Hα-helixtrans-43.6-36.5170.5173.9-105.1000113.4L57 F61 F78 L79L57-F75 HydrophobicContact CD1-CE2 4.35Å; F61-F75 AromaticContact CE2-CD2 3.84Å; F61-F75 HydrophobicContact CE2-CD2 3.84Å; F61-F75 HydrophobicContact CZ-CB 4.32Å; F61-F75 AromaticContact CZ-CD2 3.83Å; F61-F75 HydrophobicContact CZ-CD2 3.83Å; F75-F78 PolarHBondContact O-N 2.87Å; F75-L79 HydrophobicContact CD1-CD1 3.73Å; F75-L79 HydrophobicContact CE1-CD1 3.26Å; F75-L79 HydrophobicContact CE2-CD1 4.13Å; F75-L79 HydrophobicContact CG-CD1 4.34Å; F75-L79 HydrophobicContact CZ-CD1 3.49Å; F75-L79 VanDerWaalsContact CZ-CD1 3.49Å; F75-L79 PolarHBondContact O-N 3.46Å; F75-L79 VanDerWaalsContact O-N 3.14Å
76Y49.9Very low45.7Very low172 Ų172103.9 Ų103.968%0.67557%0.567SS**Hα-helixtrans-72-28.2176.8-63.6-75.4000114.4N74 F78 S80N74-Y76 PolarHBondContact O-N 2.96Å; Y76-F78 VanDerWaalsContact C-N 3.35Å; Y76-S80 WeakPolarHBondContact O-CB 3.43Å; Y76-S80 PolarHBondContact O-N 2.84Å; Y76-S80 PolarHBondContact O-OG 2.89Å
77D51.9Low45.8Very low68 Ų68105.7 Ų105.736%0.36457%0.566SS.*Hα-helixtrans-69.8-37174.1-69.9-35.9000110.5F73 N74 S80 L81F73-D77 HydrophobicContact CD1-CB 4.37Å; F73-D77 HydrophobicContact CE1-CB 4.12Å; F73-D77 HydrophobicContact CE2-CB 4.33Å; F73-D77 HydrophobicContact CZ-CB 4.09Å; N74-D77 PolarHBondContact N-OD2 2.77Å; N74-D77 WeakPolarHBondContact O-CA 3.21Å; N74-D77 WeakPolarHBondContact O-CB 3.45Å; N74-D77 PolarHBondContact O-N 3.23Å; D77-S80 VanDerWaalsContact CA-OG 3.31Å; D77-S80 WeakPolarHBondContact CA-OG 3.48Å; D77-S80 PolarHBondContact O-OG 3.15Å; D77-S80 VanDerWaalsContact O-OG 3.13Å; D77-L81 VanDerWaalsContact O-CB 3.31Å; D77-L81 WeakPolarHBondContact O-CB 3.19Å; D77-L81 PolarHBondContact O-N 3.36Å
78F50.6Low45.7Very low47 Ų47110.6 Ų110.621%0.20657%0.57CS.*Hα-helixtrans-65.8-49.4173.7-171-91.4000111I8 F12 F73 N74 F75 Y76 S80 L81 F82I8-F78 HydrophobicContact CG2-CE2 4.12Å; F12-F78 HydrophobicContact CB-CZ 4.47Å; F12-F78 AromaticContact CD2-CE1 3.68Å; F12-F78 HydrophobicContact CD2-CE1 3.68Å; F12-F78 AromaticContact CD2-CZ 3.71Å; F12-F78 HydrophobicContact CD2-CZ 3.71Å; F12-F78 AromaticContact CE2-CE1 3.56Å; F12-F78 HydrophobicContact CE2-CE1 3.56Å; F12-F78 HydrophobicContact CE2-CZ 4.1Å; F12-F78 HydrophobicContact CG-CE1 4.33Å; F12-F78 HydrophobicContact CG-CZ 4.1Å; F12-F78 HydrophobicContact CZ-CE1 4.09Å; F73-F78 HydrophobicContact CE1-CB 4.36Å; N74-F78 PolarHBondContact O-N 3.3Å; F75-F78 PolarHBondContact O-N 2.87Å; Y76-F78 VanDerWaalsContact C-N 3.35Å; F78-S80 PolarHBondContact O-N 2.78Å; F78-L81 PolarHBondContact O-N 3Å; F78-F82 AromaticContact CD1-CD2 3.93Å; F78-F82 HydrophobicContact CD1-CD2 3.93Å; F78-F82 HydrophobicContact CD1-CE2 4.23Å; F78-F82 HydrophobicContact CD2-CD2 4.39Å; F78-F82 HydrophobicContact CD2-CE2 4.06Å; F78-F82 AromaticContact CE1-CD2 3.66Å; F78-F82 HydrophobicContact CE1-CD2 3.66Å; F78-F82 AromaticContact CE1-CE2 3.68Å; F78-F82 HydrophobicContact CE1-CE2 3.68Å; F78-F82 HydrophobicContact CE2-CD2 4.17Å; F78-F82 AromaticContact CE2-CE2 3.5Å; F78-F82 HydrophobicContact CE2-CE2 3.5Å; F78-F82 HydrophobicContact CE2-CZ 4.47Å; F78-F82 HydrophobicContact CG-CD2 4.29Å; F78-F82 HydrophobicContact CG-CE2 4.41Å; F78-F82 AromaticContact CZ-CD2 3.8Å; F78-F82 HydrophobicContact CZ-CD2 3.8Å; F78-F82 AromaticContact CZ-CE2 3.29Å; F78-F82 HydrophobicContact CZ-CE2 3.29Å; F78-F82 HydrophobicContact CZ-CZ 4.14Å; F78-F82 WeakPolarHBondContact O-CD2 3.46Å; F78-F82 PolarHBondContact O-N 3.24Å
79L54.4Low45.8Very low43 Ų43108.1 Ų108.123%0.22557%0.567CS.*Hα-helixtrans-61.1-41.2176.7-85.1159000112.8F75 F82 F83F75-L79 HydrophobicContact CD1-CD1 3.73Å; F75-L79 HydrophobicContact CE1-CD1 3.26Å; F75-L79 HydrophobicContact CE2-CD1 4.13Å; F75-L79 HydrophobicContact CG-CD1 4.34Å; F75-L79 HydrophobicContact CZ-CD1 3.49Å; F75-L79 VanDerWaalsContact CZ-CD1 3.49Å; F75-L79 PolarHBondContact O-N 3.46Å; F75-L79 VanDerWaalsContact O-N 3.14Å; L79-F82 PolarHBondContact O-N 2.74Å; L79-F83 HydrophobicContact CB-CD2 4.47Å; L79-F83 HydrophobicContact CD2-CD2 3.63Å; L79-F83 HydrophobicContact CD2-CE2 3.36Å; L79-F83 WeakPolarHBondContact O-CB 3.06Å; L79-F83 WeakPolarHBondContact O-CD2 3.39Å; L79-F83 PolarHBondContact O-N 3.35Å
80S49.1Very low46.1Very low74 Ų74102.2 Ų102.252%0.51756%0.555SS.*Hα-helixtrans-72.2-29.1-179.755.80000113.3Y76 D77 F78Y76-S80 WeakPolarHBondContact O-CB 3.43Å; Y76-S80 PolarHBondContact O-N 2.84Å; Y76-S80 PolarHBondContact O-OG 2.89Å; D77-S80 VanDerWaalsContact CA-OG 3.31Å; D77-S80 WeakPolarHBondContact CA-OG 3.48Å; D77-S80 PolarHBondContact O-OG 3.15Å; D77-S80 VanDerWaalsContact O-OG 3.13Å; F78-S80 PolarHBondContact O-N 2.78Å
81L53.9Low46.5Very low113 Ų113106.6 Ų106.659%0.59255%0.547SS*.Hα-helixtrans-67.5-37.7171.8-158.788.6000112D77 F78D77-L81 VanDerWaalsContact O-CB 3.31Å; D77-L81 WeakPolarHBondContact O-CB 3.19Å; D77-L81 PolarHBondContact O-N 3.36Å; F78-L81 PolarHBondContact O-N 3Å
82F49.6Very low46.8Very low44 Ų44110.9 Ų110.919%0.19357%0.565CS.*Hα-helixtrans-87.3-39-177.4-85.6-74.6000114.3I9 F12 M13 F78 L79 G84I9-F82 HydrophobicContact CG1-CZ 4.33Å; F12-F82 HydrophobicContact CB-CE1 4.09Å; F12-F82 HydrophobicContact CB-CE2 4.45Å; F12-F82 HydrophobicContact CB-CZ 3.76Å; F12-F82 AromaticContact CD1-CD1 3.23Å; F12-F82 HydrophobicContact CD1-CD1 3.23Å; F12-F82 HydrophobicContact CD1-CD2 4.06Å; F12-F82 AromaticContact CD1-CE1 3.04Å; F12-F82 HydrophobicContact CD1-CE1 3.04Å; F12-F82 AromaticContact CD1-CE2 3.92Å; F12-F82 HydrophobicContact CD1-CE2 3.92Å; F12-F82 AromaticContact CD1-CG 3.74Å; F12-F82 HydrophobicContact CD1-CG 3.74Å; F12-F82 AromaticContact CD1-CZ 3.41Å; F12-F82 HydrophobicContact CD1-CZ 3.41Å; F12-F82 VanDerWaalsContact CD1-CZ 3.41Å; F12-F82 HydrophobicContact CE1-CB 3.92Å; F12-F82 AromaticContact CE1-CD1 3.2Å; F12-F82 HydrophobicContact CE1-CD1 3.2Å; F12-F82 AromaticContact CE1-CD2 3.9Å; F12-F82 HydrophobicContact CE1-CD2 3.9Å; F12-F82 AromaticContact CE1-CE1 3.6Å; F12-F82 HydrophobicContact CE1-CE1 3.6Å; F12-F82 HydrophobicContact CE1-CE2 4.24Å; F12-F82 AromaticContact CE1-CG 3.37Å; F12-F82 HydrophobicContact CE1-CG 3.37Å; F12-F82 HydrophobicContact CE1-CZ 4.09Å; F12-F82 HydrophobicContact CG-CD1 4.29Å; F12-F82 AromaticContact CG-CE1 3.82Å; F12-F82 HydrophobicContact CG-CE1 3.82Å; F12-F82 HydrophobicContact CG-CE2 4.1Å; F12-F82 AromaticContact CG-CZ 3.7Å; F12-F82 HydrophobicContact CG-CZ 3.7Å; F12-F82 HydrophobicContact CZ-CB 4.41Å; F12-F82 HydrophobicContact CZ-CD1 4.31Å; F12-F82 HydrophobicContact CZ-CD2 4.33Å; F12-F82 HydrophobicContact CZ-CG 4.08Å; M13-F82 HydrophobicContact CE-CD1 3.74Å; M13-F82 HydrophobicContact CE-CE1 3.58Å; F78-F82 AromaticContact CD1-CD2 3.93Å; F78-F82 HydrophobicContact CD1-CD2 3.93Å; F78-F82 HydrophobicContact CD1-CE2 4.23Å; F78-F82 HydrophobicContact CD2-CD2 4.39Å; F78-F82 HydrophobicContact CD2-CE2 4.06Å; F78-F82 AromaticContact CE1-CD2 3.66Å; F78-F82 HydrophobicContact CE1-CD2 3.66Å; F78-F82 AromaticContact CE1-CE2 3.68Å; F78-F82 HydrophobicContact CE1-CE2 3.68Å; F78-F82 HydrophobicContact CE2-CD2 4.17Å; F78-F82 AromaticContact CE2-CE2 3.5Å; F78-F82 HydrophobicContact CE2-CE2 3.5Å; F78-F82 HydrophobicContact CE2-CZ 4.47Å; F78-F82 HydrophobicContact CG-CD2 4.29Å; F78-F82 HydrophobicContact CG-CE2 4.41Å; F78-F82 AromaticContact CZ-CD2 3.8Å; F78-F82 HydrophobicContact CZ-CD2 3.8Å; F78-F82 AromaticContact CZ-CE2 3.29Å; F78-F82 HydrophobicContact CZ-CE2 3.29Å; F78-F82 HydrophobicContact CZ-CZ 4.14Å; F78-F82 WeakPolarHBondContact O-CD2 3.46Å; F78-F82 PolarHBondContact O-N 3.24Å; L79-F82 PolarHBondContact O-N 2.74Å; F82-G84 PolarHBondContact O-N 3.39Å
83F48.2Very low46.7Very low115 Ų115113.9 Ų113.950%0.50456%0.564SS.*Hα-helixtrans-74.9-12.1179.9-87.1-73.1000113.4L79 L85L79-F83 HydrophobicContact CB-CD2 4.47Å; L79-F83 HydrophobicContact CD2-CD2 3.63Å; L79-F83 HydrophobicContact CD2-CE2 3.36Å; L79-F83 WeakPolarHBondContact O-CB 3.06Å; L79-F83 WeakPolarHBondContact O-CD2 3.39Å; L79-F83 PolarHBondContact O-N 3.35Å; F83-L85 HydrophobicContact CB-CG 4.08Å; F83-L85 WeakPolarHBondContact O-CA 3.22Å; F83-L85 PolarHBondContact O-N 2.76Å
84G42.9Very low46.6Very low55 Ų55118 Ų11857%0.56758%0.576SS**  trans37.146.9167.100000112.1F82 N86F82-G84 PolarHBondContact O-N 3.39Å; G84-N86 PolarHBondContact O-N 2.99Å
85L41.4Very low46.3Very low146 Ų146122.9 Ų122.976%0.76459%0.587SS**  trans-71.576.3-170.1-73.9172.9000108.5F83 K87F83-L85 HydrophobicContact CB-CG 4.08Å; F83-L85 WeakPolarHBondContact O-CA 3.22Å; F83-L85 PolarHBondContact O-N 2.76Å; L85-K87 VanDerWaalsContact C-N 3.31Å; L85-K87 PolarHBondContact O-N 2.8Å
86N41.5Very low46.2Very low136 Ų136128.6 Ų128.673%0.72761%0.608SS**  47.950.6110.7-141.5-11.9000114.4G84 K88G84-N86 PolarHBondContact O-N 2.99Å; N86-K88 PolarHBondContact O-N 2.88Å
87K41.2Very low45.9Very low212 Ų212131.4 Ų131.492%0.92262%0.617SS**  trans-87.854162.4-138.8178.1-169.6178.30109.6L85L85-K87 VanDerWaalsContact C-N 3.31Å; L85-K87 PolarHBondContact O-N 2.8Å
88K37.1Very low45.4Very low166 Ų166134 Ų13472%0.72264%0.641SS**  trans-82.2117.1166.5-108.6-173.1169.31740108.5N86N86-K88 PolarHBondContact O-N 2.88Å
89D38.1Very low44.8Very low91 Ų91135.7 Ų135.749%0.48767%0.671SS.*  trans60.679.6140.7-54.5-44.9000118.2R91D89-R91 IonicContact OD1-CZ 3.27Å; D89-R91 VanDerWaalsContact OD1-CZ 3.27Å; D89-R91 IonicContact OD1-NE 2.92Å; D89-R91 PolarHBondContact OD1-NE 2.75Å; D89-R91 IonicContact OD1-NH2 2.75Å; D89-R91 PolarHBondContact OD1-NH2 2.92Å
90N43.2Very low43.9Very low136 Ų136137.7 Ų137.773%0.72770%0.702SS**  trans-114.969146.3-164.5-1.3000110.1N92N90-N92 VanDerWaalsContact C-N 3.25Å; N90-N92 PolarHBondContact O-N 2.58Å
91R48.4Very low43.4Very low170 Ų170138 Ų13864%0.64272%0.717SS**THydrogen-bonded Turntrans-83.110.3-177.8-67.8-172.7-136.3-171.55.2114.4D89D89-R91 IonicContact OD1-CZ 3.27Å; D89-R91 VanDerWaalsContact OD1-CZ 3.27Å; D89-R91 IonicContact OD1-NE 2.92Å; D89-R91 PolarHBondContact OD1-NE 2.75Å; D89-R91 IonicContact OD1-NH2 2.75Å; D89-R91 PolarHBondContact OD1-NH2 2.92Å
92N48.1Very low42.6Very low156 Ų156136.5 Ų136.583%0.83473%0.729SS**THydrogen-bonded Turntrans-100.6-3.1-176.3-76.5-3.2000115.3N90 R94N90-N92 VanDerWaalsContact C-N 3.25Å; N90-N92 PolarHBondContact O-N 2.58Å; N92-R94 PolarHBondContact O-N 3.47Å
93N45.9Very low41.8Very low132 Ų132137.9 Ų137.971%0.70676%0.755SS**  trans-102.540-179.8-135.413.8000113.3R95N93-R95 PolarHBondContact O-N 3.38Å; N93-R95 VanDerWaalsContact O-N 3.15Å
94R45.2Very low41.6Very low208 Ų208140.6 Ų140.679%0.78578%0.775SS**  trans-80.113.9-168.9-129.5-168.8-74-174.8-2.4115.3N92N92-R94 PolarHBondContact O-N 3.47Å
95R44.4Very low41.2Very low206 Ų206142.2 Ų142.278%0.77779%0.792SS**  trans-139.2106.1-179-60179.6-169.3-177.72.9104.5N93N93-R95 PolarHBondContact O-N 3.38Å; N93-R95 VanDerWaalsContact O-N 3.15Å
96Y45.6Very low40.8Very low210 Ų210138.2 Ų138.282%0.82479%0.786SS**  trans171.6106.5138.2-76.4-55000108.2
97R43.4Very low40.6Very low232 Ų232139.6 Ų139.688%0.87579%0.792SS**  trans62.2102.1145.5-79.6175.9162.5-179.6-6.4119.3
98S41Very low40.9Very low123 Ų123137.5 Ų137.586%0.8679%0.79SS**  40.8117110.7-54.40000118.3
99G37.6Very low40.9Very low81 Ų81141 Ų14184%0.83580%0.798SS**  trans120.9110.4138.400000114.3
100G36.8Very low41.1Very low85 Ų85142.5 Ų142.588%0.87681%0.805SS**  trans99.9116.7143.200000116.3
101G38.3Very low40.9Very low82 Ų82142.4 Ų142.485%0.84580%0.799SS**  trans99.789.3135.700000116.6
102G36.2Very low40.6Very low81 Ų81144.9 Ų144.984%0.83582%0.815SS**  72.1105.7115.900000118.8
103G34.3Very low39.9Very low72 Ų72142.6 Ų142.674%0.74282%0.817SS**  91.2138.2126.700000118
104N42.8Very low39.1Very low172 Ų172151.3 Ų151.392%0.9284%0.84SS**  trans84.942.1168.2-54.4-30.3000117.9
105G33.7Very low38.8Very low89 Ų89148.5 Ų148.592%0.91884%0.843SS**  trans-96.981.8157.800000110.8
106G33.9Very low38.6Very low62 Ų62145.5 Ų145.564%0.63985%0.847SS**  trans-161.4136.1178.800000112.2
107L37.7Very low38.2Very low166 Ų166141.9 Ų141.987%0.86985%0.848SS**  trans88.262.7162.7-48.5174000117.9
108I46.5Very low37.9Very low168 Ų168136.6 Ų136.686%0.86285%0.846SS**  trans-129.177.5140.4-56176.6000107.8
109R37.6Very low37.7Very low238 Ų238137.4 Ų137.490%0.89885%0.845SS**  trans-107.786.6163.7-78.7-171.7175.4-148.50.6107.1
110L42.4Very low37.7Very low123 Ų123141.2 Ų141.264%0.64485%0.846SS**  trans-171104.8174.6-12871.4000102.4
111F39.8Very low37.7Very low135 Ų135145.2 Ų145.259%0.59284%0.844SS**SBendcis-159.4101.742.5-70.6-98.9000108.2
112F41.5Very low37.7Very low222 Ų222150.1 Ų150.197%0.97484%0.844SS**SBendtrans-156.437.2164.9-90.7-67.6000111.6
113A33.1Very low37.8Very low107 Ų107155.8 Ų155.888%0.88485%0.845SS**  trans-134.753.517300000110.2
114R30.3Very low38.1Very low316 Ų316163.5 Ų163.5100%1.19285%0.854SS**  trans-1760144.7-166.6161.3178136.2-3109.5

Retrieved 114 of 114 residues in 70.3 ms (Link to these results)