A0A087YKF3_POEFO Loading...

LYR motif containing 1

AlphaFold DB , UniProt , Accession A0A087YKF3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 121 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
1M49.7Very low81.6Confident209 Ų20995.4 Ų95.4100%1.0354%0.539SS*.  0-43.30-72.6-180164.900113.2L3 S4 T5M1-L3 PolarHBondContact O-N 3.36Å; M1-S4 PolarHBondContact O-N 3.36Å; M1-S4 PolarHBondContact O-OG 3.26Å; M1-T5 PolarHBondContact O-N 3.02Å; M1-T5 PolarHBondContact O-OG1 3.31Å
2A56.9Low82.9Confident82 Ų8288.3 Ų88.368%0.67850%0.498SS*.Hα-helixtrans-64-37179.300000115.1S4 T5 R6A2-S4 PolarHBondContact O-N 3.3Å; A2-T5 PolarHBondContact O-N 3.48Å; A2-R6 PolarHBondContact O-N 3.02Å; A2-R6 VanDerWaalsContact O-N 3.1Å
3L59.4Low84Confident152 Ų15286.2 Ų86.280%0.79648%0.478SS*.Hα-helixtrans-64.8-37.8179.6-70.4169.7000112.8M1 S7M1-L3 PolarHBondContact O-N 3.36Å; L3-S7 PolarHBondContact O-N 3.41Å
4S79.2Confident85Confident68 Ų6885.9 Ų85.948%0.47647%0.474SS..Hα-helixtrans-66.6-44.4176.352.10000110.6M1 A2 R6 S7 T8M1-S4 PolarHBondContact O-N 3.36Å; M1-S4 PolarHBondContact O-OG 3.26Å; A2-S4 PolarHBondContact O-N 3.3Å; S4-R6 PolarHBondContact O-N 3.02Å; S4-S7 PolarHBondContact O-N 3.04Å; S4-S7 PolarHBondContact O-OG 3.22Å; S4-T8 PolarHBondContact O-N 3.34Å; S4-T8 PolarHBondContact O-OG1 3.41Å
5T87.2Confident85.9Confident46 Ų4687.9 Ų87.928%0.28247%0.472SS..Hα-helixtrans-61.1-45.4179.2-50.20000112.2M1 A2 S7 T8 V9 I60M1-T5 PolarHBondContact O-N 3.02Å; M1-T5 PolarHBondContact O-OG1 3.31Å; A2-T5 PolarHBondContact O-N 3.48Å; T5-S7 VanDerWaalsContact C-N 3.32Å; T5-S7 PolarHBondContact O-N 3.26Å; T5-T8 PolarHBondContact O-N 3.43Å; T5-V9 HydrophobicContact CG2-CG2 4.45Å; T5-V9 WeakPolarHBondContact O-CG2 3.25Å; T5-V9 PolarHBondContact O-N 3.26Å; T5-I60 HydrophobicContact CG2-CB 4.44Å; T5-I60 HydrophobicContact CG2-CG2 3.49Å; T5-I60 VanDerWaalsContact CG2-CG2 3.49Å
6R90.3Very high86.6Confident171 Ų17183.2 Ų83.265%0.64545%0.447SS*.Hα-helixtrans-59.2-43.7177.1-175.6178.6-177.3-92.11.1111.9A2 S4 V9 L10A2-R6 PolarHBondContact O-N 3.02Å; A2-R6 VanDerWaalsContact O-N 3.1Å; S4-R6 PolarHBondContact O-N 3.02Å; R6-V9 PolarHBondContact O-N 3.5Å; R6-L10 HydrophobicContact CG-CD1 4.15Å; R6-L10 WeakPolarHBondContact O-CG 3.46Å; R6-L10 PolarHBondContact O-N 3.44Å
7S93.6Very high87.3Confident63 Ų6380.1 Ų80.144%0.44143%0.429SS..Hα-helixtrans-64.7-39.6179720000112.4L3 S4 T5 S11L3-S7 PolarHBondContact O-N 3.41Å; S4-S7 PolarHBondContact O-N 3.04Å; S4-S7 PolarHBondContact O-OG 3.22Å; T5-S7 VanDerWaalsContact C-N 3.32Å; T5-S7 PolarHBondContact O-N 3.26Å; S7-S11 WeakPolarHBondContact O-CB 3.32Å; S7-S11 PolarHBondContact O-N 3.16Å; S7-S11 PolarHBondContact O-OG 3.18Å
8T94.3Very high87.9Confident67 Ų6784.5 Ų84.541%0.41144%0.438SS..Hα-helixtrans-62.3-49.4174.9-54.50000110.9S4 T5 L10 S11 L12 I64S4-T8 PolarHBondContact O-N 3.34Å; S4-T8 PolarHBondContact O-OG1 3.41Å; T5-T8 PolarHBondContact O-N 3.43Å; T8-L10 PolarHBondContact O-N 3.25Å; T8-S11 PolarHBondContact O-N 2.86Å; T8-L12 WeakPolarHBondContact O-CB 3.45Å; T8-L12 PolarHBondContact O-N 3.23Å; T8-I64 HydrophobicContact CG2-CD1 4.26Å
9V95.6Very high88.4Confident40 Ų4081.6 Ų81.624%0.24242%0.423CS..Hα-helixtrans-61.2-44.6-179.71730000111.4T5 R6 L12 Y13 F48 I60 I64T5-V9 HydrophobicContact CG2-CG2 4.45Å; T5-V9 WeakPolarHBondContact O-CG2 3.25Å; T5-V9 PolarHBondContact O-N 3.26Å; R6-V9 PolarHBondContact O-N 3.5Å; V9-L12 PolarHBondContact O-N 2.85Å; V9-Y13 WeakPolarHBondContact O-CB 3.4Å; V9-Y13 PolarHBondContact O-N 3.4Å; V9-F48 HydrophobicContact CG1-CD1 4.07Å; V9-F48 HydrophobicContact CG1-CE1 3.82Å; V9-I60 HydrophobicContact CG2-CG2 4.12Å; V9-I64 HydrophobicContact CG2-CD1 3.88Å; V9-I64 HydrophobicContact CG2-CG1 4.11Å
10L95.6Very high88.8Confident75 Ų7577.5 Ų77.539%0.39340%0.402SS..Hα-helixtrans-65.9-39.6177.5-71175.4000112.2R6 T8 L12 Y13 I14R6-L10 HydrophobicContact CG-CD1 4.15Å; R6-L10 WeakPolarHBondContact O-CG 3.46Å; R6-L10 PolarHBondContact O-N 3.44Å; T8-L10 PolarHBondContact O-N 3.25Å; L10-L12 VanDerWaalsContact C-N 3.32Å; L10-Y13 PolarHBondContact O-N 3.35Å; L10-I14 WeakPolarHBondContact O-CD1 3.42Å; L10-I14 VanDerWaalsContact O-CG1 3.27Å; L10-I14 WeakPolarHBondContact O-CG1 3.46Å; L10-I14 PolarHBondContact O-N 3.03Å
11S96.3Very high89.2Confident76 Ų7681.4 Ų81.453%0.53141%0.412SS..Hα-helixtrans-63.5-41.1176-59.60000111.4S7 T8 I14 R15S7-S11 WeakPolarHBondContact O-CB 3.32Å; S7-S11 PolarHBondContact O-N 3.16Å; S7-S11 PolarHBondContact O-OG 3.18Å; T8-S11 PolarHBondContact O-N 2.86Å; S11-I14 PolarHBondContact O-N 2.99Å; S11-R15 WeakPolarHBondContact O-CB 3.44Å; S11-R15 PolarHBondContact O-N 3.31Å
12L96.9Very high91.4Very high11 Ų1175.1 Ų75.16%0.05839%0.392CS..Hα-helixtrans-63.8-46175.4-173.864.3000111.5T8 V9 L10 I14 R15 V16 F48 I64 C67 E68 I71T8-L12 WeakPolarHBondContact O-CB 3.45Å; T8-L12 PolarHBondContact O-N 3.23Å; V9-L12 PolarHBondContact O-N 2.85Å; L10-L12 VanDerWaalsContact C-N 3.32Å; L12-I14 PolarHBondContact O-N 3.31Å; L12-R15 WeakPolarHBondContact O-CB 3.3Å; L12-R15 PolarHBondContact O-N 3.18Å; L12-R15 VanDerWaalsContact O-N 3.15Å; L12-V16 WeakPolarHBondContact O-CG2 3.2Å; L12-V16 PolarHBondContact O-N 2.86Å; L12-F48 HydrophobicContact CG-CZ 4.43Å; L12-I64 HydrophobicContact CD2-CB 4.42Å; L12-I64 HydrophobicContact CD2-CG1 4.36Å; L12-I64 HydrophobicContact CD2-CG2 4.15Å; L12-C67 HydrophobicContact CD2-CB 3.74Å; L12-C67 HydrophobicContact CG-CB 4.44Å; L12-E68 HydrophobicContact CD1-CG 4.06Å; L12-I71 HydrophobicContact CD1-CD1 3.86Å
13Y97.5Very high93.2Very high60 Ų6072 Ų7224%0.23536%0.363CS..Hα-helixtrans-55.1-51.2174.2-175-105.3000111.2V9 L10 R15 V16 F17 F48V9-Y13 WeakPolarHBondContact O-CB 3.4Å; V9-Y13 PolarHBondContact O-N 3.4Å; L10-Y13 PolarHBondContact O-N 3.35Å; Y13-R15 VanDerWaalsContact C-N 3.29Å; Y13-R15 PolarHBondContact O-N 3.07Å; Y13-V16 WeakPolarHBondContact O-CB 3.42Å; Y13-V16 PolarHBondContact O-N 3.09Å; Y13-V16 VanDerWaalsContact O-N 3.14Å; Y13-F17 HydrophobicContact CD1-CD2 4.21Å; Y13-F17 HydrophobicContact CD1-CE2 4.16Å; Y13-F17 HydrophobicContact CD2-CE2 4Å; Y13-F17 AromaticContact CE1-CD2 3.95Å; Y13-F17 HydrophobicContact CE1-CD2 3.95Å; Y13-F17 AromaticContact CE1-CE2 3.57Å; Y13-F17 HydrophobicContact CE1-CE2 3.57Å; Y13-F17 HydrophobicContact CE1-CZ 4.36Å; Y13-F17 HydrophobicContact CE2-CD2 4.31Å; Y13-F17 AromaticContact CE2-CE2 3.43Å; Y13-F17 HydrophobicContact CE2-CE2 3.43Å; Y13-F17 VanDerWaalsContact CE2-CE2 3.43Å; Y13-F17 HydrophobicContact CE2-CZ 4.24Å; Y13-F17 HydrophobicContact CG-CD2 4.48Å; Y13-F17 HydrophobicContact CG-CE2 4.35Å; Y13-F17 AromaticContact CZ-CE2 3.17Å; Y13-F17 AromaticContact CZ-CZ 3.79Å; Y13-F17 WeakPolarHBondContact O-CD2 3.46Å; Y13-F17 PolarHBondContact O-N 3.01Å; Y13-F17 WeakPolarHBondContact OH-CE2 3.45Å; Y13-F17 WeakPolarHBondContact OH-CZ 3.31Å; Y13-F48 HydrophobicContact CD2-CB 4.03Å; Y13-F48 AromaticContact CD2-CD1 3.55Å; Y13-F48 HydrophobicContact CD2-CD1 3.55Å; Y13-F48 AromaticContact CD2-CD2 3.79Å; Y13-F48 HydrophobicContact CD2-CD2 3.79Å; Y13-F48 AromaticContact CD2-CE1 3.85Å; Y13-F48 HydrophobicContact CD2-CE1 3.85Å; Y13-F48 HydrophobicContact CD2-CE2 4.05Å; Y13-F48 AromaticContact CD2-CG 3.51Å; Y13-F48 HydrophobicContact CD2-CG 3.51Å; Y13-F48 HydrophobicContact CD2-CZ 4.08Å; Y13-F48 HydrophobicContact CE2-CB 4.07Å; Y13-F48 HydrophobicContact CE2-CD1 4.43Å; Y13-F48 HydrophobicContact CE2-CD2 4.32Å; Y13-F48 HydrophobicContact CE2-CG 4.03Å; Y13-F48 HydrophobicContact CG-CD1 4.16Å; Y13-F48 HydrophobicContact CG-CE1 4.2Å
14I97.6Very high94.9Very high82 Ų8271.8 Ų71.842%0.42136%0.358SS..Hα-helixtrans-60.4-39.7178.5-66.7164000111.4L10 S11 L12 V16 F17 R18L10-I14 WeakPolarHBondContact O-CD1 3.42Å; L10-I14 VanDerWaalsContact O-CG1 3.27Å; L10-I14 WeakPolarHBondContact O-CG1 3.46Å; L10-I14 PolarHBondContact O-N 3.03Å; S11-I14 PolarHBondContact O-N 2.99Å; L12-I14 PolarHBondContact O-N 3.31Å; I14-V16 VanDerWaalsContact C-N 3.33Å; I14-V16 PolarHBondContact O-N 2.94Å; I14-F17 PolarHBondContact O-N 2.71Å; I14-R18 WeakPolarHBondContact O-CG 3.25Å; I14-R18 PolarHBondContact O-N 2.95Å
15R97.8Very high95.6Very high116 Ų11668.9 Ų68.944%0.43834%0.338SS..Hα-helixtrans-60.2-42.6176.8-178.9-178.9171.4-163.9-3111.2S11 L12 Y13 F17 R18 I19S11-R15 WeakPolarHBondContact O-CB 3.44Å; S11-R15 PolarHBondContact O-N 3.31Å; L12-R15 WeakPolarHBondContact O-CB 3.3Å; L12-R15 PolarHBondContact O-N 3.18Å; L12-R15 VanDerWaalsContact O-N 3.15Å; Y13-R15 VanDerWaalsContact C-N 3.29Å; Y13-R15 PolarHBondContact O-N 3.07Å; R15-F17 PolarHBondContact O-N 2.7Å; R15-R18 WeakPolarHBondContact O-CB 3.36Å; R15-R18 PolarHBondContact O-N 3.34Å; R15-R18 VanDerWaalsContact O-N 3.15Å; R15-I19 HydrophobicContact CG-CD1 4.06Å; R15-I19 WeakPolarHBondContact O-CG1 3.41Å; R15-I19 PolarHBondContact O-N 3.43Å
16V97.8Very high95.8Very high13 Ų1372.4 Ų72.48%0.07935%0.351CS..Hα-helixtrans-59.3-44.8176.2176.60000111.4L12 Y13 I14 R18 I19 A20 I40 A44 I71L12-V16 WeakPolarHBondContact O-CG2 3.2Å; L12-V16 PolarHBondContact O-N 2.86Å; Y13-V16 WeakPolarHBondContact O-CB 3.42Å; Y13-V16 PolarHBondContact O-N 3.09Å; Y13-V16 VanDerWaalsContact O-N 3.14Å; I14-V16 VanDerWaalsContact C-N 3.33Å; I14-V16 PolarHBondContact O-N 2.94Å; V16-R18 VanDerWaalsContact C-N 3.33Å; V16-R18 PolarHBondContact O-N 3.23Å; V16-I19 WeakPolarHBondContact O-CB 3.49Å; V16-I19 PolarHBondContact O-N 3Å; V16-A20 PolarHBondContact O-N 3.43Å; V16-I40 HydrophobicContact CG1-CG2 3.7Å; V16-A44 HydrophobicContact CG1-CB 3.65Å; V16-I71 HydrophobicContact CG2-CD1 3.8Å; V16-I71 HydrophobicContact CG2-CG1 4.3Å
17F97.8Very high95.8Very high30 Ų3068.8 Ų68.813%0.13235%0.348CS..Hα-helixtrans-69-27.3176.4-79.6-90.1000114Y13 I14 R15 R21 E41 A44 R45Y13-F17 HydrophobicContact CD1-CD2 4.21Å; Y13-F17 HydrophobicContact CD1-CE2 4.16Å; Y13-F17 HydrophobicContact CD2-CE2 4Å; Y13-F17 AromaticContact CE1-CD2 3.95Å; Y13-F17 HydrophobicContact CE1-CD2 3.95Å; Y13-F17 AromaticContact CE1-CE2 3.57Å; Y13-F17 HydrophobicContact CE1-CE2 3.57Å; Y13-F17 HydrophobicContact CE1-CZ 4.36Å; Y13-F17 HydrophobicContact CE2-CD2 4.31Å; Y13-F17 AromaticContact CE2-CE2 3.43Å; Y13-F17 HydrophobicContact CE2-CE2 3.43Å; Y13-F17 VanDerWaalsContact CE2-CE2 3.43Å; Y13-F17 HydrophobicContact CE2-CZ 4.24Å; Y13-F17 HydrophobicContact CG-CD2 4.48Å; Y13-F17 HydrophobicContact CG-CE2 4.35Å; Y13-F17 AromaticContact CZ-CE2 3.17Å; Y13-F17 AromaticContact CZ-CZ 3.79Å; Y13-F17 WeakPolarHBondContact O-CD2 3.46Å; Y13-F17 PolarHBondContact O-N 3.01Å; Y13-F17 WeakPolarHBondContact OH-CE2 3.45Å; Y13-F17 WeakPolarHBondContact OH-CZ 3.31Å; I14-F17 PolarHBondContact O-N 2.71Å; R15-F17 PolarHBondContact O-N 2.7Å; F17-R21 WeakPolarHBondContact O-CG 3.46Å; F17-R21 PolarHBondContact O-N 3.36Å; F17-R21 VanDerWaalsContact O-N 3.15Å; F17-R21 PolarHBondContact O-NE 3.2Å; F17-R21 VanDerWaalsContact O-NE 3.16Å; F17-E41 HydrophobicContact CD1-CG 4.07Å; F17-E41 HydrophobicContact CE1-CB 4.1Å; F17-E41 HydrophobicContact CE1-CG 3.85Å; F17-A44 HydrophobicContact CE2-CB 4.33Å; F17-R45 HydrophobicContact CZ-CG 3.85Å
18R98.1Very high95.6Very high160 Ų16068.7 Ų68.760%0.60436%0.358SS*.Hα-helixtrans-68.2-43.5170.1-73174.7-176.5-179.92.3110.8I14 R15 V16 R21 A22I14-R18 WeakPolarHBondContact O-CG 3.25Å; I14-R18 PolarHBondContact O-N 2.95Å; R15-R18 WeakPolarHBondContact O-CB 3.36Å; R15-R18 PolarHBondContact O-N 3.34Å; R15-R18 VanDerWaalsContact O-N 3.15Å; V16-R18 VanDerWaalsContact C-N 3.33Å; V16-R18 PolarHBondContact O-N 3.23Å; R18-R21 VanDerWaalsContact CG-NH2 3.29Å; R18-R21 PolarHBondContact O-N 3.4Å; R18-A22 PolarHBondContact O-N 2.89Å; R18-A22 VanDerWaalsContact O-N 3.12Å
19I97.4Very high95.5Very high29 Ų2967.1 Ų67.115%0.14935%0.351CS..Hα-helixtrans-60.4-49.2175.4-68.8162.9000110R15 V16 R21 A22 W23 I71 L75R15-I19 HydrophobicContact CG-CD1 4.06Å; R15-I19 WeakPolarHBondContact O-CG1 3.41Å; R15-I19 PolarHBondContact O-N 3.43Å; V16-I19 WeakPolarHBondContact O-CB 3.49Å; V16-I19 PolarHBondContact O-N 3Å; I19-R21 PolarHBondContact O-N 2.79Å; I19-A22 CarbonylContact O-C 3.51Å; I19-A22 PolarHBondContact O-N 3.48Å; I19-A22 VanDerWaalsContact O-N 3.14Å; I19-W23 HydrophobicContact CG2-CE3 3.77Å; I19-W23 HydrophobicContact CG2-CZ3 4.13Å; I19-W23 WeakPolarHBondContact O-CB 3.48Å; I19-W23 PolarHBondContact O-N 3.46Å; I19-I71 HydrophobicContact CD1-CB 4.44Å; I19-I71 HydrophobicContact CD1-CD1 4.2Å; I19-I71 HydrophobicContact CD1-CG1 4.08Å; I19-I71 HydrophobicContact CD1-CG2 3.54Å; I19-L75 HydrophobicContact CD1-CD1 4.43Å; I19-L75 HydrophobicContact CG2-CD2 4.12Å
20A97.1Very high95.4Very high0 Ų070.2 Ų70.20%037%0.37CS..Hα-helixtrans-53.6-50.8176.500000111.2V16 A22 W23 R37 I40 E41V16-A20 PolarHBondContact O-N 3.43Å; A20-A22 VanDerWaalsContact C-N 3.29Å; A20-A22 PolarHBondContact O-N 3.41Å; A20-W23 WeakPolarHBondContact O-CB 3.33Å; A20-W23 PolarHBondContact O-N 2.93Å; A20-R37 WeakPolarHBondContact O-CG 3.32Å; A20-I40 HydrophobicContact CB-CB 4.13Å; A20-I40 HydrophobicContact CB-CG2 3.83Å; A20-E41 HydrophobicContact CB-CG 3.92Å
21R96.3Very high95.3Very high160 Ų16070.2 Ų70.260%0.60438%0.376SS*.Hα-helixtrans-59.9-36.1179.4-74.5179.8-69.1-179.3-2.3114.3F17 R18 I19 W23F17-R21 WeakPolarHBondContact O-CG 3.46Å; F17-R21 PolarHBondContact O-N 3.36Å; F17-R21 VanDerWaalsContact O-N 3.15Å; F17-R21 PolarHBondContact O-NE 3.2Å; F17-R21 VanDerWaalsContact O-NE 3.16Å; R18-R21 VanDerWaalsContact CG-NH2 3.29Å; R18-R21 PolarHBondContact O-N 3.4Å; I19-R21 PolarHBondContact O-N 2.79Å; R21-W23 VanDerWaalsContact C-N 3.33Å
22A95.9Very high95.2Very high76 Ų7669.5 Ų69.563%0.62837%0.366SS*.Hα-helixtrans-86-4.8178.400000113.4R18 I19 A20R18-A22 PolarHBondContact O-N 2.89Å; R18-A22 VanDerWaalsContact O-N 3.12Å; I19-A22 CarbonylContact O-C 3.51Å; I19-A22 PolarHBondContact O-N 3.48Å; I19-A22 VanDerWaalsContact O-N 3.14Å; A20-A22 VanDerWaalsContact C-N 3.29Å; A20-A22 PolarHBondContact O-N 3.41Å
23W96.4Very high95.1Very high18 Ų1869.5 Ų69.57%0.06837%0.367CS..  trans-67.4139.2-172.1-168-91.7000111.6I19 A20 R21 E36 R37 I40 G74 L75 P80I19-W23 HydrophobicContact CG2-CE3 3.77Å; I19-W23 HydrophobicContact CG2-CZ3 4.13Å; I19-W23 WeakPolarHBondContact O-CB 3.48Å; I19-W23 PolarHBondContact O-N 3.46Å; A20-W23 WeakPolarHBondContact O-CB 3.33Å; A20-W23 PolarHBondContact O-N 2.93Å; R21-W23 VanDerWaalsContact C-N 3.33Å; W23-E36 PolarHBondContact NE1-OE2 3.19Å; W23-R37 HydrophobicContact CB-CG 3.91Å; W23-R37 PolarHBondContact O-NE 3.41Å; W23-R37 PolarHBondContact O-NH2 3.3Å; W23-I40 HydrophobicContact CB-CD1 4.16Å; W23-I40 HydrophobicContact CD2-CD1 3.64Å; W23-I40 HydrophobicContact CE3-CD1 3.8Å; W23-I40 HydrophobicContact CG-CD1 3.78Å; W23-I40 HydrophobicContact CZ3-CD1 4.43Å; W23-G74 VanDerWaalsContact CH2-O 3.32Å; W23-G74 WeakPolarHBondContact CH2-O 3.38Å; W23-L75 HydrophobicContact CZ3-CD2 3.98Å; W23-P80 HydrophobicContact CH2-CB 4.36Å; W23-P80 HydrophobicContact CZ2-CB 4.02Å; W23-P80 HydrophobicContact CZ2-CG 4.18Å
24Q95.1Very high95.1Very high147 Ų14772.2 Ų72.269%0.68738%0.382SS*.  trans-135.6128.5175.7-68.3179.1-14.200107.8
25A93.1Very high95Very high6 Ų670.7 Ų70.75%0.0538%0.382CS..  trans-63.7144.6177.600000110.4T27 G28 D32 S33 E36A25-T27 PolarHBondContact O-N 3.37Å; A25-T27 VanDerWaalsContact O-N 3.17Å; A25-G28 PolarHBondContact O-N 3.27Å; A25-D32 HydrophobicContact CB-CB 3.64Å; A25-S33 PolarHBondContact N-OG 3.48Å; A25-E36 VanDerWaalsContact CA-OE2 3.22Å; A25-E36 WeakPolarHBondContact CA-OE2 3.45Å; A25-E36 WeakPolarHBondContact CB-OE2 3.15Å
26Q91.9Very high95Very high120 Ų12066.3 Ų66.356%0.56137%0.366SS*.THydrogen-bonded Turntrans-61.8-24.2177.3-176.362.112.700112.3G28 R78Q26-G28 VanDerWaalsContact C-N 3.25Å; Q26-G28 PolarHBondContact O-N 2.97Å; Q26-R78 HydrophobicContact CB-CB 4.4Å
27T90Very high94.9Very high95 Ų9569.6 Ų69.658%0.58338%0.377SS*.THydrogen-bonded Turntrans-71.2-18.8175.459.50000113.1A25 A29 D32A25-T27 PolarHBondContact O-N 3.37Å; A25-T27 VanDerWaalsContact O-N 3.17Å; T27-A29 PolarHBondContact O-N 2.9Å; T27-A29 PolarHBondContact OG1-N 3.4Å; T27-D32 WeakPolarHBondContact CB-OD2 3.32Å; T27-D32 WeakPolarHBondContact CG2-OD2 3.44Å; T27-D32 WeakPolarHBondContact OG1-CB 3.31Å; T27-D32 PolarHBondContact OG1-OD2 3.15Å
28G88.4Confident94.9Very high62 Ų6276.6 Ų76.664%0.63940%0.403SS*.  trans73.1-2.7-17400000114.3A25 Q26A25-G28 PolarHBondContact O-N 3.27Å; Q26-G28 VanDerWaalsContact C-N 3.25Å; Q26-G28 PolarHBondContact O-N 2.97Å
29A92.9Very high94.9Very high33 Ų3371.8 Ų71.827%0.27339%0.385SS..  trans-72.6137177.200000110.8T27 S31 D32 S33T27-A29 PolarHBondContact O-N 2.9Å; T27-A29 PolarHBondContact OG1-N 3.4Å; A29-S31 VanDerWaalsContact C-N 3.35Å; A29-D32 HydrophobicContact CB-CB 4.12Å; A29-D32 PolarHBondContact O-N 3.4Å; A29-S33 PolarHBondContact O-N 2.92Å; A29-S33 PolarHBondContact O-OG 3.24Å
30V93.5Very high94.8Very high105 Ų10571.2 Ų71.264%0.63638%0.382SS*.Hα-helixtrans-64.4-42.5178.1-179.90000110.4D32 S33 E34V30-D32 VanDerWaalsContact C-N 3.33Å; V30-D32 PolarHBondContact O-N 3.34Å; V30-S33 PolarHBondContact O-N 3.16Å; V30-E34 HydrophobicContact CG1-CG 4.46Å; V30-E34 WeakPolarHBondContact O-CG 3.44Å; V30-E34 PolarHBondContact O-N 3.44Å
31S94.4Very high94.8Very high76 Ų7674.4 Ų74.453%0.53140%0.397SS..Hα-helixtrans-58.1-44177.254.40000112.7A29 E34 A35A29-S31 VanDerWaalsContact C-N 3.35Å; S31-E34 PolarHBondContact O-N 3.46Å; S31-A35 WeakPolarHBondContact O-CB 3.35Å; S31-A35 PolarHBondContact O-N 3.01Å
32D93.8Very high94.9Very high60 Ų6071.5 Ų71.532%0.32139%0.393SS..Hα-helixtrans-70.4-41.6-178.4-61.4-5.1000109.9A25 T27 A29 V30 E34 A35 E36A25-D32 HydrophobicContact CB-CB 3.64Å; T27-D32 WeakPolarHBondContact CB-OD2 3.32Å; T27-D32 WeakPolarHBondContact CG2-OD2 3.44Å; T27-D32 WeakPolarHBondContact OG1-CB 3.31Å; T27-D32 PolarHBondContact OG1-OD2 3.15Å; A29-D32 HydrophobicContact CB-CB 4.12Å; A29-D32 PolarHBondContact O-N 3.4Å; V30-D32 VanDerWaalsContact C-N 3.33Å; V30-D32 PolarHBondContact O-N 3.34Å; D32-E34 VanDerWaalsContact C-N 3.32Å; D32-E34 PolarHBondContact O-N 3.44Å; D32-A35 PolarHBondContact O-N 2.99Å; D32-E36 VanDerWaalsContact O-CB 3.31Å; D32-E36 WeakPolarHBondContact O-CB 3.4Å; D32-E36 VanDerWaalsContact O-CG 3.32Å; D32-E36 WeakPolarHBondContact O-CG 3.24Å; D32-E36 PolarHBondContact O-N 3.44Å
33S94.7Very high94.9Very high11 Ų1169.5 Ų69.58%0.07737%0.371CS..Hα-helixtrans-58.9-44.3174.3-59.60000110.9A25 A29 V30 R37A25-S33 PolarHBondContact N-OG 3.48Å; A29-S33 PolarHBondContact O-N 2.92Å; A29-S33 PolarHBondContact O-OG 3.24Å; V30-S33 PolarHBondContact O-N 3.16Å; S33-R37 VanDerWaalsContact O-CB 3.29Å; S33-R37 WeakPolarHBondContact O-CB 3.19Å; S33-R37 WeakPolarHBondContact O-CG 3.42Å; S33-R37 PolarHBondContact O-N 3.3Å
34E96.3Very high94.8Very high118 Ų11869 Ų6955%0.55137%0.371SS*.Hα-helixtrans-64.4-42.3176.5-73.8178.6178.900112.8V30 S31 D32 R37 R38V30-E34 HydrophobicContact CG1-CG 4.46Å; V30-E34 WeakPolarHBondContact O-CG 3.44Å; V30-E34 PolarHBondContact O-N 3.44Å; S31-E34 PolarHBondContact O-N 3.46Å; D32-E34 VanDerWaalsContact C-N 3.32Å; D32-E34 PolarHBondContact O-N 3.44Å; E34-R37 PolarHBondContact O-N 3.28Å; E34-R38 VanDerWaalsContact O-CB 3.3Å; E34-R38 WeakPolarHBondContact O-CB 3.35Å; E34-R38 PolarHBondContact O-N 3Å
35A96.6Very high94.9Very high49 Ų4968.4 Ų68.441%0.40536%0.362SS..Hα-helixtrans-63.3-45.5177.400000111.8S31 D32 R38 Y39S31-A35 WeakPolarHBondContact O-CB 3.35Å; S31-A35 PolarHBondContact O-N 3.01Å; D32-A35 PolarHBondContact O-N 2.99Å; A35-R38 PolarHBondContact O-N 2.88Å; A35-Y39 WeakPolarHBondContact O-CB 3.49Å; A35-Y39 PolarHBondContact O-N 2.6Å
36E96.9Very high95.1Very high24 Ų2470.7 Ų70.711%0.11238%0.377CS..Hα-helixtrans-65.5-43.3177.7-76.5-177178.300111.9W23 A25 D32 R38 Y39 I40 P80 Y81W23-E36 PolarHBondContact NE1-OE2 3.19Å; A25-E36 VanDerWaalsContact CA-OE2 3.22Å; A25-E36 WeakPolarHBondContact CA-OE2 3.45Å; A25-E36 WeakPolarHBondContact CB-OE2 3.15Å; D32-E36 VanDerWaalsContact O-CB 3.31Å; D32-E36 WeakPolarHBondContact O-CB 3.4Å; D32-E36 VanDerWaalsContact O-CG 3.32Å; D32-E36 WeakPolarHBondContact O-CG 3.24Å; D32-E36 PolarHBondContact O-N 3.44Å; E36-R38 PolarHBondContact O-N 2.99Å; E36-Y39 WeakPolarHBondContact O-CB 3.23Å; E36-Y39 PolarHBondContact O-N 2.83Å; E36-I40 WeakPolarHBondContact O-CG1 3.33Å; E36-I40 PolarHBondContact O-N 3.05Å; E36-P80 HydrophobicContact CB-CG 3.81Å; E36-P80 HydrophobicContact CG-CG 3.71Å; E36-Y81 HydrophobicContact CG-CE2 3.99Å
37R97.3Very high95.2Very high83 Ų8366.3 Ų66.331%0.31336%0.358SS..Hα-helixtrans-56.7-50172.6-75.8179.5-174.4169.12.9111.8A20 W23 S33 E34 Y39 I40 E41A20-R37 WeakPolarHBondContact O-CG 3.32Å; W23-R37 HydrophobicContact CB-CG 3.91Å; W23-R37 PolarHBondContact O-NE 3.41Å; W23-R37 PolarHBondContact O-NH2 3.3Å; S33-R37 VanDerWaalsContact O-CB 3.29Å; S33-R37 WeakPolarHBondContact O-CB 3.19Å; S33-R37 WeakPolarHBondContact O-CG 3.42Å; S33-R37 PolarHBondContact O-N 3.3Å; E34-R37 PolarHBondContact O-N 3.28Å; R37-Y39 VanDerWaalsContact C-N 3.26Å; R37-Y39 PolarHBondContact O-N 3.04Å; R37-I40 PolarHBondContact O-N 3.3Å; R37-E41 WeakPolarHBondContact O-CG 3.4Å; R37-E41 PolarHBondContact O-N 2.84Å
38R97.4Very high95.5Very high177 Ų17764.1 Ų64.167%0.66834%0.34SS*.Hα-helixtrans-61-39.3179.3-174.8176.3-178.1-179.60.1111.2E34 A35 E36 E41 L42E34-R38 VanDerWaalsContact O-CB 3.3Å; E34-R38 WeakPolarHBondContact O-CB 3.35Å; E34-R38 PolarHBondContact O-N 3Å; A35-R38 PolarHBondContact O-N 2.88Å; E36-R38 PolarHBondContact O-N 2.99Å; R38-E41 PolarHBondContact O-N 3.06Å; R38-L42 HydrophobicContact CG-CD1 3.87Å; R38-L42 HydrophobicContact CG-CG 4.27Å; R38-L42 WeakPolarHBondContact O-CB 3.39Å; R38-L42 VanDerWaalsContact O-CG 3.28Å; R38-L42 WeakPolarHBondContact O-CG 3.39Å; R38-L42 PolarHBondContact O-N 3.22Å
39Y96.6Very high95.9Very high58 Ų5870 Ų7023%0.22734%0.343CS..Hα-helixtrans-59.9-52175.1176.7-95.1000111.6A35 E36 R37 E41 L42 E43 P80 Y81 P82A35-Y39 WeakPolarHBondContact O-CB 3.49Å; A35-Y39 PolarHBondContact O-N 2.6Å; E36-Y39 WeakPolarHBondContact O-CB 3.23Å; E36-Y39 PolarHBondContact O-N 2.83Å; R37-Y39 VanDerWaalsContact C-N 3.26Å; R37-Y39 PolarHBondContact O-N 3.04Å; Y39-E41 VanDerWaalsContact C-N 3.3Å; Y39-E41 PolarHBondContact O-N 3.18Å; Y39-L42 PolarHBondContact O-N 3Å; Y39-E43 WeakPolarHBondContact O-CB 3.37Å; Y39-E43 PolarHBondContact O-N 3.35Å; Y39-E43 PolarHBondContact OH-OE1 3.04Å; Y39-E43 VanDerWaalsContact OH-OE1 3.13Å; Y39-P80 HydrophobicContact CD1-CB 4.13Å; Y39-P80 HydrophobicContact CD1-CG 4.32Å; Y39-P80 WeakPolarHBondContact CE1-O 3.36Å; Y39-Y81 AromaticContact CD1-CD1 3.72Å; Y39-Y81 HydrophobicContact CD1-CD1 3.72Å; Y39-Y81 AromaticContact CD1-CE1 3.79Å; Y39-Y81 HydrophobicContact CD1-CE1 3.79Å; Y39-Y81 AromaticContact CD2-CD1 3.91Å; Y39-Y81 HydrophobicContact CD2-CD1 3.91Å; Y39-Y81 AromaticContact CD2-CE1 3.67Å; Y39-Y81 HydrophobicContact CD2-CE1 3.67Å; Y39-Y81 AromaticContact CE1-CD1 3.72Å; Y39-Y81 HydrophobicContact CE1-CD1 3.72Å; Y39-Y81 HydrophobicContact CE1-CE1 4.25Å; Y39-Y81 AromaticContact CE2-CD1 3.9Å; Y39-Y81 HydrophobicContact CE2-CD1 3.9Å; Y39-Y81 HydrophobicContact CE2-CE1 4.14Å; Y39-Y81 AromaticContact CG-CD1 3.82Å; Y39-Y81 HydrophobicContact CG-CD1 3.82Å; Y39-Y81 AromaticContact CG-CE1 3.48Å; Y39-Y81 HydrophobicContact CG-CE1 3.48Å; Y39-Y81 VanDerWaalsContact CG-CE1 3.48Å; Y39-Y81 AromaticContact CZ-CD1 3.81Å; Y39-P82 VanDerWaalsContact OH-CD 3.27Å; Y39-P82 WeakPolarHBondContact OH-CD 3.46Å; Y39-P82 WeakPolarHBondContact OH-CG 3.31Å
40I96.9Very high96Very high18 Ų1874.4 Ų74.49%0.09236%0.358CS..Hα-helixtrans-55.6-46.7178.4-62.8163.1000110.6V16 A20 W23 E36 R37 A44 P80V16-I40 HydrophobicContact CG1-CG2 3.7Å; A20-I40 HydrophobicContact CB-CB 4.13Å; A20-I40 HydrophobicContact CB-CG2 3.83Å; W23-I40 HydrophobicContact CB-CD1 4.16Å; W23-I40 HydrophobicContact CD2-CD1 3.64Å; W23-I40 HydrophobicContact CE3-CD1 3.8Å; W23-I40 HydrophobicContact CG-CD1 3.78Å; W23-I40 HydrophobicContact CZ3-CD1 4.43Å; E36-I40 WeakPolarHBondContact O-CG1 3.33Å; E36-I40 PolarHBondContact O-N 3.05Å; R37-I40 PolarHBondContact O-N 3.3Å; I40-A44 WeakPolarHBondContact O-CB 3.29Å; I40-A44 PolarHBondContact O-N 2.75Å; I40-P80 HydrophobicContact CD1-CB 3.87Å; I40-P80 HydrophobicContact CG1-CB 3.56Å
41E97.4Very high96Very high66 Ų6672 Ų7231%0.30834%0.342SS..Hα-helixtrans-65.5-46.3-178.3-70.3-173.2-177.700113F17 A20 R37 R38 Y39 R45F17-E41 HydrophobicContact CD1-CG 4.07Å; F17-E41 HydrophobicContact CE1-CB 4.1Å; F17-E41 HydrophobicContact CE1-CG 3.85Å; A20-E41 HydrophobicContact CB-CG 3.92Å; R37-E41 WeakPolarHBondContact O-CG 3.4Å; R37-E41 PolarHBondContact O-N 2.84Å; R38-E41 PolarHBondContact O-N 3.06Å; Y39-E41 VanDerWaalsContact C-N 3.3Å; Y39-E41 PolarHBondContact O-N 3.18Å; E41-R45 WeakPolarHBondContact O-CB 3.27Å; E41-R45 WeakPolarHBondContact O-CG 3.24Å; E41-R45 PolarHBondContact O-N 3.19Å
42L97.2Very high96Very high99 Ų9974.2 Ų74.252%0.51834%0.344SS..Hα-helixtrans-65.3-44.6-179.1-73.9175.8000111.2R38 Y39 R45 S46R38-L42 HydrophobicContact CG-CD1 3.87Å; R38-L42 HydrophobicContact CG-CG 4.27Å; R38-L42 WeakPolarHBondContact O-CB 3.39Å; R38-L42 VanDerWaalsContact O-CG 3.28Å; R38-L42 WeakPolarHBondContact O-CG 3.39Å; R38-L42 PolarHBondContact O-N 3.22Å; Y39-L42 PolarHBondContact O-N 3Å; L42-R45 PolarHBondContact O-N 3.2Å; L42-S46 WeakPolarHBondContact O-CB 3.3Å; L42-S46 PolarHBondContact O-N 2.69Å
43E95.3Very high95.9Very high35 Ų3578.4 Ų78.416%0.16436%0.361CS..Hα-helixtrans-64.7-47.1179.6-173.1179.8-140.200111.4Y39 R45 S46 L47 R70 H118Y39-E43 WeakPolarHBondContact O-CB 3.37Å; Y39-E43 PolarHBondContact O-N 3.35Å; Y39-E43 PolarHBondContact OH-OE1 3.04Å; Y39-E43 VanDerWaalsContact OH-OE1 3.13Å; E43-R45 VanDerWaalsContact C-N 3.32Å; E43-R45 PolarHBondContact O-N 2.62Å; E43-S46 WeakPolarHBondContact O-CB 3.31Å; E43-S46 PolarHBondContact O-N 2.66Å; E43-S46 VanDerWaalsContact O-N 3.12Å; E43-L47 HydrophobicContact CG-CD1 3.86Å; E43-L47 HydrophobicContact CG-CG 4.22Å; E43-L47 WeakPolarHBondContact O-CG 3.16Å; E43-L47 PolarHBondContact O-N 3.24Å; E43-R70 IonicContact OE1-CZ 2.66Å; E43-R70 IonicContact OE1-NH1 3.22Å; E43-R70 PolarHBondContact OE1-NH1 3.33Å; E43-R70 IonicContact OE1-NH2 2.93Å; E43-R70 PolarHBondContact OE1-NH2 2.98Å; E43-R70 IonicContact OE2-CZ 3.18Å; E43-R70 IonicContact OE2-NH1 3.09Å; E43-R70 IonicContact OE2-NH2 2.67Å; E43-R70 PolarHBondContact OE2-NH2 2.78Å; E43-H118 IonicContact OE1-CE1 3.36Å; E43-H118 PolarHBondContact OE1-CE1 2.93Å; E43-H118 IonicContact OE1-NE2 2.72Å; E43-H118 PolarHBondContact OE1-NE2 3.4Å
44A96.1Very high95.9Very high8 Ų880.8 Ų80.87%0.06637%0.373CS..Hα-helixtrans-58.6-44176.900000111.6V16 F17 I40 S46 F48V16-A44 HydrophobicContact CG1-CB 3.65Å; F17-A44 HydrophobicContact CE2-CB 4.33Å; I40-A44 WeakPolarHBondContact O-CB 3.29Å; I40-A44 PolarHBondContact O-N 2.75Å; A44-S46 VanDerWaalsContact C-N 3.33Å; A44-S46 PolarHBondContact O-N 2.96Å; A44-F48 WeakPolarHBondContact O-CB 3.46Å; A44-F48 WeakPolarHBondContact O-CD2 3.46Å; A44-F48 PolarHBondContact O-N 2.88Å; A44-F48 VanDerWaalsContact O-N 3.09Å
45R97Very high95.7Very high133 Ų13381.3 Ų81.350%0.50238%0.384SS..Hα-helixtrans-60.7-44.6175.1-72.6172.6-175.2-83.84111.7F17 E41 L42 E43 R49F17-R45 HydrophobicContact CZ-CG 3.85Å; E41-R45 WeakPolarHBondContact O-CB 3.27Å; E41-R45 WeakPolarHBondContact O-CG 3.24Å; E41-R45 PolarHBondContact O-N 3.19Å; L42-R45 PolarHBondContact O-N 3.2Å; E43-R45 VanDerWaalsContact C-N 3.32Å; E43-R45 PolarHBondContact O-N 2.62Å; R45-R49 WeakPolarHBondContact O-CB 3.34Å; R45-R49 PolarHBondContact O-N 3.24Å; R45-R49 VanDerWaalsContact O-N 3.14Å
46S95.9Very high95.6Very high54 Ų5482.5 Ų82.538%0.37838%0.384SS..Hα-helixtrans-61.6-56.6-178.6-169.80000110.9L42 E43 A44 R49 Q50L42-S46 WeakPolarHBondContact O-CB 3.3Å; L42-S46 PolarHBondContact O-N 2.69Å; E43-S46 WeakPolarHBondContact O-CB 3.31Å; E43-S46 PolarHBondContact O-N 2.66Å; E43-S46 VanDerWaalsContact O-N 3.12Å; A44-S46 VanDerWaalsContact C-N 3.33Å; A44-S46 PolarHBondContact O-N 2.96Å; S46-R49 PolarHBondContact O-N 3.38Å; S46-Q50 WeakPolarHBondContact O-CB 3.38Å; S46-Q50 VanDerWaalsContact O-CG 3.26Å; S46-Q50 WeakPolarHBondContact O-CG 3.38Å; S46-Q50 PolarHBondContact O-N 3.23Å; S46-Q50 PolarHBondContact OG-NE2 3.44Å
47L95.2Very high95.4Very high28 Ų2885.7 Ų85.715%0.14741%0.407CS..Hα-helixtrans-67.3-42.3-173.7-64.5-180000112.7E43 R49 Q50 N51 R70E43-L47 HydrophobicContact CG-CD1 3.86Å; E43-L47 HydrophobicContact CG-CG 4.22Å; E43-L47 WeakPolarHBondContact O-CG 3.16Å; E43-L47 PolarHBondContact O-N 3.24Å; L47-R49 VanDerWaalsContact C-N 3.28Å; L47-R49 PolarHBondContact O-N 2.93Å; L47-Q50 PolarHBondContact O-N 3.43Å; L47-N51 WeakPolarHBondContact O-CB 3.29Å; L47-N51 PolarHBondContact O-N 3.34Å; L47-N51 PolarHBondContact O-ND2 3.43Å; L47-R70 VanDerWaalsContact CD1-NH1 3.28Å
48F95.9Very high95.2Very high50 Ų5086.4 Ų86.422%0.21941%0.414CS..Hα-helixtrans-65-34.6176.6-81.4-106.7000112V9 L12 Y13 A44 Q52V9-F48 HydrophobicContact CG1-CD1 4.07Å; V9-F48 HydrophobicContact CG1-CE1 3.82Å; L12-F48 HydrophobicContact CG-CZ 4.43Å; Y13-F48 HydrophobicContact CD2-CB 4.03Å; Y13-F48 AromaticContact CD2-CD1 3.55Å; Y13-F48 HydrophobicContact CD2-CD1 3.55Å; Y13-F48 AromaticContact CD2-CD2 3.79Å; Y13-F48 HydrophobicContact CD2-CD2 3.79Å; Y13-F48 AromaticContact CD2-CE1 3.85Å; Y13-F48 HydrophobicContact CD2-CE1 3.85Å; Y13-F48 HydrophobicContact CD2-CE2 4.05Å; Y13-F48 AromaticContact CD2-CG 3.51Å; Y13-F48 HydrophobicContact CD2-CG 3.51Å; Y13-F48 HydrophobicContact CD2-CZ 4.08Å; Y13-F48 HydrophobicContact CE2-CB 4.07Å; Y13-F48 HydrophobicContact CE2-CD1 4.43Å; Y13-F48 HydrophobicContact CE2-CD2 4.32Å; Y13-F48 HydrophobicContact CE2-CG 4.03Å; Y13-F48 HydrophobicContact CG-CD1 4.16Å; Y13-F48 HydrophobicContact CG-CE1 4.2Å; A44-F48 WeakPolarHBondContact O-CB 3.46Å; A44-F48 WeakPolarHBondContact O-CD2 3.46Å; A44-F48 PolarHBondContact O-N 2.88Å; A44-F48 VanDerWaalsContact O-N 3.09Å; F48-Q52 PolarHBondContact O-N 2.95Å
49R95.8Very high95Very high184 Ų18479.6 Ų79.669%0.69439%0.393SS*.Hα-helixtrans-74-39.3177-172.2171.9-174.5158.40.8112.3R45 S46 L47 N51 Q52R45-R49 WeakPolarHBondContact O-CB 3.34Å; R45-R49 PolarHBondContact O-N 3.24Å; R45-R49 VanDerWaalsContact O-N 3.14Å; S46-R49 PolarHBondContact O-N 3.38Å; L47-R49 VanDerWaalsContact C-N 3.28Å; L47-R49 PolarHBondContact O-N 2.93Å; R49-N51 PolarHBondContact O-N 3.01Å; R49-Q52 WeakPolarHBondContact O-CB 3.49Å; R49-Q52 WeakPolarHBondContact O-CG 3.27Å; R49-Q52 PolarHBondContact O-N 3.1Å
50Q94.9Very high94.8Very high126 Ų12678.5 Ų78.559%0.58939%0.391SS*.Hα-helixtrans-58.2-40.9173-73.7172.45.700110.7S46 L47 Q52S46-Q50 WeakPolarHBondContact O-CB 3.38Å; S46-Q50 VanDerWaalsContact O-CG 3.26Å; S46-Q50 WeakPolarHBondContact O-CG 3.38Å; S46-Q50 PolarHBondContact O-N 3.23Å; S46-Q50 PolarHBondContact OG-NE2 3.44Å; L47-Q50 PolarHBondContact O-N 3.43Å; Q50-Q52 VanDerWaalsContact C-N 3.31Å; Q50-Q52 PolarHBondContact O-N 3.34Å
51N94.6Very high94.7Very high54 Ų5484.4 Ų84.429%0.28941%0.412SS..G310 helixtrans-84.35.3-178.9-66.6-24.9000114.5L47 R49 Q53 L54L47-N51 WeakPolarHBondContact O-CB 3.29Å; L47-N51 PolarHBondContact O-N 3.34Å; L47-N51 PolarHBondContact O-ND2 3.43Å; R49-N51 PolarHBondContact O-N 3.01Å; N51-Q53 PolarHBondContact O-N 2.89Å; N51-Q53 VanDerWaalsContact O-N 3.13Å; N51-L54 HydrophobicContact CB-CD1 3.7Å; N51-L54 WeakPolarHBondContact O-CB 3.43Å; N51-L54 PolarHBondContact O-N 2.94Å; N51-L54 VanDerWaalsContact O-N 3.1Å; N51-L54 WeakPolarHBondContact OD1-CD1 3.38Å
52Q93.6Very high94.5Very high123 Ų12387.5 Ų87.558%0.57542%0.421SS*.G310 helixtrans-63.7-24-172.675.2-175.4-16.400114.3F48 R49 Q50F48-Q52 PolarHBondContact O-N 2.95Å; R49-Q52 WeakPolarHBondContact O-CB 3.49Å; R49-Q52 WeakPolarHBondContact O-CG 3.27Å; R49-Q52 PolarHBondContact O-N 3.1Å; Q50-Q52 VanDerWaalsContact C-N 3.31Å; Q50-Q52 PolarHBondContact O-N 3.34Å
53Q93.3Very high94.4Very high149 Ų14984.5 Ų84.570%0.69641%0.408SS*.G310 helixtrans-99.15-179.6-58-57.5-25.800112.9N51 T55N51-Q53 PolarHBondContact O-N 2.89Å; N51-Q53 VanDerWaalsContact O-N 3.13Å; Q53-T55 PolarHBondContact O-N 3.45Å
54L93.9Very high94.4Very high61 Ų6184.1 Ų84.132%0.31941%0.407SS..  trans-68.2121.4174.8-97.5154.8000110.2N51 S59 I60N51-L54 HydrophobicContact CB-CD1 3.7Å; N51-L54 WeakPolarHBondContact O-CB 3.43Å; N51-L54 PolarHBondContact O-N 2.94Å; N51-L54 VanDerWaalsContact O-N 3.1Å; N51-L54 WeakPolarHBondContact OD1-CD1 3.38Å; L54-S59 VanDerWaalsContact CD2-CB 3.41Å; L54-I60 HydrophobicContact CB-CG1 4.17Å
55T92.4Very high94.3Very high129 Ų12987.5 Ų87.579%0.79142%0.421SS*.  trans-113.2-21.1-179.951.70000112.8Q53 P57Q53-T55 PolarHBondContact O-N 3.45Å; T55-P57 WeakPolarHBondContact O-CD 3.45Å
56D94.5Very high94.2Very high73 Ų7381.5 Ų81.539%0.3940%0.399SS..  trans-68.1119178.3174.953.7000111.3E58 S59 I60D56-E58 VanDerWaalsContact C-N 3.32Å; D56-E58 PolarHBondContact O-N 3.41Å; D56-S59 PolarHBondContact O-N 3.33Å; D56-S59 VanDerWaalsContact OD2-CB 3.23Å; D56-S59 WeakPolarHBondContact OD2-CB 3.35Å; D56-S59 PolarHBondContact OD2-N 3Å; D56-S59 PolarHBondContact OD2-OG 3.4Å; D56-I60 WeakPolarHBondContact O-CG1 3.48Å; D56-I60 PolarHBondContact O-N 3.13Å
57P91.9Very high94.1Very high91 Ų9180 Ų8059%0.59139%0.388SS*.Hα-helixtrans-59.7-37.6-176.4-25.435000114.2T55 I60 R61T55-P57 WeakPolarHBondContact O-CD 3.45Å; P57-I60 PolarHBondContact O-N 2.96Å; P57-R61 WeakPolarHBondContact O-CB 3.45Å; P57-R61 PolarHBondContact O-N 3.31Å
58E92.6Very high94.1Very high99 Ų9983.1 Ų83.146%0.46340%0.402SS..Hα-helixtrans-70.3-40.7-179.2-74.6-62121.700111.5D56 R61 R62D56-E58 VanDerWaalsContact C-N 3.32Å; D56-E58 PolarHBondContact O-N 3.41Å; E58-R61 WeakPolarHBondContact O-CB 3.32Å; E58-R61 PolarHBondContact O-N 3.1Å; E58-R62 WeakPolarHBondContact O-CG 3.2Å; E58-R62 PolarHBondContact O-N 2.83Å
59S93.1Very high94Very high34 Ų3481.8 Ų81.824%0.23840%0.4CS..Hα-helixtrans-64.3-41.5174.6-60.30000111.7L54 D56 R61 R62 C63L54-S59 VanDerWaalsContact CD2-CB 3.41Å; D56-S59 PolarHBondContact O-N 3.33Å; D56-S59 VanDerWaalsContact OD2-CB 3.23Å; D56-S59 WeakPolarHBondContact OD2-CB 3.35Å; D56-S59 PolarHBondContact OD2-N 3Å; D56-S59 PolarHBondContact OD2-OG 3.4Å; S59-R61 VanDerWaalsContact C-N 3.32Å; S59-R61 PolarHBondContact O-N 3.2Å; S59-R62 PolarHBondContact O-N 2.93Å; S59-C63 PolarHBondContact O-N 3.15Å; S59-C63 PolarHBondContact O-SG 3.45Å
60I94Very high93.9Very high35 Ų3574.8 Ų74.818%0.17937%0.374CS..Hα-helixtrans-61.7-42.7174.7-63.5163.4000110.8T5 V9 L54 D56 P57 R62 C63 I64T5-I60 HydrophobicContact CG2-CB 4.44Å; T5-I60 HydrophobicContact CG2-CG2 3.49Å; T5-I60 VanDerWaalsContact CG2-CG2 3.49Å; V9-I60 HydrophobicContact CG2-CG2 4.12Å; L54-I60 HydrophobicContact CB-CG1 4.17Å; D56-I60 WeakPolarHBondContact O-CG1 3.48Å; D56-I60 PolarHBondContact O-N 3.13Å; P57-I60 PolarHBondContact O-N 2.96Å; I60-R62 PolarHBondContact O-N 2.9Å; I60-C63 PolarHBondContact O-N 3.25Å; I60-I64 HydrophobicContact CG2-CD1 4.05Å; I60-I64 WeakPolarHBondContact O-CG1 3.35Å; I60-I64 PolarHBondContact O-N 2.77Å
61R93.7Very high93.9Very high142 Ų14269.8 Ų69.854%0.53635%0.351SS..Hα-helixtrans-59.3-45.2176.7-177.7-177.1173.7165.25.2111.6P57 E58 S59 C63 I64 E65P57-R61 WeakPolarHBondContact O-CB 3.45Å; P57-R61 PolarHBondContact O-N 3.31Å; E58-R61 WeakPolarHBondContact O-CB 3.32Å; E58-R61 PolarHBondContact O-N 3.1Å; S59-R61 VanDerWaalsContact C-N 3.32Å; S59-R61 PolarHBondContact O-N 3.2Å; R61-C63 VanDerWaalsContact C-N 3.34Å; R61-C63 PolarHBondContact O-N 3.19Å; R61-I64 WeakPolarHBondContact O-CB 3.14Å; R61-I64 PolarHBondContact O-N 2.72Å; R61-I64 VanDerWaalsContact O-N 3.16Å; R61-E65 HydrophobicContact CG-CG 4.49Å; R61-E65 IonicContact CZ-OE1 3.67Å; R61-E65 IonicContact NE-OE1 3.57Å; R61-E65 PolarHBondContact NE-OE1 3.5Å; R61-E65 IonicContact NH2-OE1 3.62Å; R61-E65 WeakPolarHBondContact O-CG 3.34Å; R61-E65 PolarHBondContact O-N 3.1Å
62R93.2Very high93.9Very high130 Ų13074 Ų7449%0.49137%0.369SS..Hα-helixtrans-60.6-41.1175.8-70.1175.8-166.7154.77.8112.3E58 S59 I60 I64 E65 E66E58-R62 WeakPolarHBondContact O-CG 3.2Å; E58-R62 PolarHBondContact O-N 2.83Å; S59-R62 PolarHBondContact O-N 2.93Å; I60-R62 PolarHBondContact O-N 2.9Å; R62-I64 VanDerWaalsContact C-N 3.31Å; R62-I64 PolarHBondContact O-N 3.45Å; R62-E65 PolarHBondContact O-N 3.2Å; R62-E66 WeakPolarHBondContact O-CB 3.34Å; R62-E66 PolarHBondContact O-N 2.89Å
63C94.8Very high93.8Very high37 Ų3770 Ų7025%0.2535%0.351CS..Hα-helixtrans-62.8-37.9175.2-64.60000112.5S59 I60 R61 C67S59-C63 PolarHBondContact O-N 3.15Å; S59-C63 PolarHBondContact O-SG 3.45Å; I60-C63 PolarHBondContact O-N 3.25Å; R61-C63 VanDerWaalsContact C-N 3.34Å; R61-C63 PolarHBondContact O-N 3.19Å; C63-C67 VanDerWaalsContact O-CB 3.31Å; C63-C67 WeakPolarHBondContact O-CB 3.32Å; C63-C67 PolarHBondContact O-N 2.94Å
64I95.4Very high93.8Very high27 Ų2763.3 Ų63.314%0.13832%0.322CS..Hα-helixtrans-64.8-50.9174.9-68.6166.4000110T8 V9 L12 I60 R61 R62 E66 C67 E68T8-I64 HydrophobicContact CG2-CD1 4.26Å; V9-I64 HydrophobicContact CG2-CD1 3.88Å; V9-I64 HydrophobicContact CG2-CG1 4.11Å; L12-I64 HydrophobicContact CD2-CB 4.42Å; L12-I64 HydrophobicContact CD2-CG1 4.36Å; L12-I64 HydrophobicContact CD2-CG2 4.15Å; I60-I64 HydrophobicContact CG2-CD1 4.05Å; I60-I64 WeakPolarHBondContact O-CG1 3.35Å; I60-I64 PolarHBondContact O-N 2.77Å; R61-I64 WeakPolarHBondContact O-CB 3.14Å; R61-I64 PolarHBondContact O-N 2.72Å; R61-I64 VanDerWaalsContact O-N 3.16Å; R62-I64 VanDerWaalsContact C-N 3.31Å; R62-I64 PolarHBondContact O-N 3.45Å; I64-E66 VanDerWaalsContact C-N 3.32Å; I64-E66 PolarHBondContact O-N 3.29Å; I64-C67 PolarHBondContact O-N 3.2Å; I64-C67 VanDerWaalsContact O-N 3.15Å; I64-E68 WeakPolarHBondContact O-CG 3.39Å; I64-E68 PolarHBondContact O-N 3.15Å
65E94.9Very high93.8Very high79 Ų7964.4 Ų64.437%0.36933%0.328SS..Hα-helixtrans-59.5-41.4179.1-71.5172.9-177.500111.7R61 R62 A69R61-E65 HydrophobicContact CG-CG 4.49Å; R61-E65 IonicContact CZ-OE1 3.67Å; R61-E65 IonicContact NE-OE1 3.57Å; R61-E65 PolarHBondContact NE-OE1 3.5Å; R61-E65 IonicContact NH2-OE1 3.62Å; R61-E65 WeakPolarHBondContact O-CG 3.34Å; R61-E65 PolarHBondContact O-N 3.1Å; R62-E65 PolarHBondContact O-N 3.2Å; E65-A69 WeakPolarHBondContact O-CB 3.25Å; E65-A69 PolarHBondContact O-N 3.48Å
66E94.1Very high93.8Very high7 Ų764.8 Ų64.83%0.03332%0.32CS..Hα-helixtrans-59.9-51172.6173.3172.1-157.400111.4R62 I64 E68 A69 R70 V113 Q116 S117R62-E66 WeakPolarHBondContact O-CB 3.34Å; R62-E66 PolarHBondContact O-N 2.89Å; I64-E66 VanDerWaalsContact C-N 3.32Å; I64-E66 PolarHBondContact O-N 3.29Å; E66-E68 VanDerWaalsContact C-N 3.32Å; E66-E68 PolarHBondContact O-N 3.44Å; E66-A69 PolarHBondContact O-N 3.14Å; E66-R70 HydrophobicContact CG-CG 4.28Å; E66-R70 WeakPolarHBondContact O-CB 3.39Å; E66-R70 VanDerWaalsContact O-CG 3.24Å; E66-R70 WeakPolarHBondContact O-CG 3.15Å; E66-R70 PolarHBondContact O-N 3.01Å; E66-V113 HydrophobicContact CB-CG1 4.24Å; E66-V113 WeakPolarHBondContact CG-O 3.34Å; E66-Q116 PolarHBondContact OE1-N 2.9Å; E66-S117 VanDerWaalsContact OE1-CB 3.29Å; E66-S117 WeakPolarHBondContact OE1-CB 3.22Å; E66-S117 PolarHBondContact OE1-N 3.14Å; E66-S117 PolarHBondContact OE1-OG 3.37Å; E66-S117 PolarHBondContact OE2-N 3.41Å; E66-S117 PolarHBondContact OE2-OG 3.03Å
67C95Very high93.6Very high23 Ų2366.8 Ų66.816%0.15532%0.323CS..Hα-helixtrans-62-40.1-178.4-179.20000111.8L12 C63 I64 R70 I71L12-C67 HydrophobicContact CD2-CB 3.74Å; L12-C67 HydrophobicContact CG-CB 4.44Å; C63-C67 VanDerWaalsContact O-CB 3.31Å; C63-C67 WeakPolarHBondContact O-CB 3.32Å; C63-C67 PolarHBondContact O-N 2.94Å; I64-C67 PolarHBondContact O-N 3.2Å; I64-C67 VanDerWaalsContact O-N 3.15Å; C67-R70 PolarHBondContact O-N 3.2Å; C67-I71 VanDerWaalsContact O-CG1 3.3Å; C67-I71 WeakPolarHBondContact O-CG1 3.21Å; C67-I71 PolarHBondContact O-N 2.98Å
68E95.4Very high93.6Very high92 Ų9269.4 Ų69.443%0.4332%0.321SS..Hα-helixtrans-63.6-47.1174.5-71.8-168.5164.400112.4L12 I64 E66 R70 I71 E72L12-E68 HydrophobicContact CD1-CG 4.06Å; I64-E68 WeakPolarHBondContact O-CG 3.39Å; I64-E68 PolarHBondContact O-N 3.15Å; E66-E68 VanDerWaalsContact C-N 3.32Å; E66-E68 PolarHBondContact O-N 3.44Å; E68-R70 VanDerWaalsContact C-N 3.28Å; E68-R70 PolarHBondContact O-N 3.28Å; E68-I71 WeakPolarHBondContact O-CB 3.27Å; E68-I71 PolarHBondContact O-N 3.26Å; E68-E72 PolarHBondContact O-N 2.66Å
69A93.2Very high93.6Very high23 Ų2367.9 Ų67.919%0.1932%0.316CS..Hα-helixtrans-61-38.9176.900000111.8E65 E66 E72 I73E65-A69 WeakPolarHBondContact O-CB 3.25Å; E65-A69 PolarHBondContact O-N 3.48Å; E66-A69 PolarHBondContact O-N 3.14Å; A69-E72 PolarHBondContact O-N 3.45Å; A69-I73 WeakPolarHBondContact O-CB 3.05Å; A69-I73 VanDerWaalsContact O-CG1 3.31Å; A69-I73 WeakPolarHBondContact O-CG1 3.19Å; A69-I73 PolarHBondContact O-N 3.38Å
70R93.7Very high93.5Very high37 Ų3767 Ų6714%0.1431%0.31CS..Hα-helixtrans-64.4-42.8175.1-72.5-174.572.8171.56.3112.2E43 L47 E66 C67 E68 G74 Y114 H118E43-R70 IonicContact OE1-CZ 2.66Å; E43-R70 IonicContact OE1-NH1 3.22Å; E43-R70 PolarHBondContact OE1-NH1 3.33Å; E43-R70 IonicContact OE1-NH2 2.93Å; E43-R70 PolarHBondContact OE1-NH2 2.98Å; E43-R70 IonicContact OE2-CZ 3.18Å; E43-R70 IonicContact OE2-NH1 3.09Å; E43-R70 IonicContact OE2-NH2 2.67Å; E43-R70 PolarHBondContact OE2-NH2 2.78Å; L47-R70 VanDerWaalsContact CD1-NH1 3.28Å; E66-R70 HydrophobicContact CG-CG 4.28Å; E66-R70 WeakPolarHBondContact O-CB 3.39Å; E66-R70 VanDerWaalsContact O-CG 3.24Å; E66-R70 WeakPolarHBondContact O-CG 3.15Å; E66-R70 PolarHBondContact O-N 3.01Å; C67-R70 PolarHBondContact O-N 3.2Å; E68-R70 VanDerWaalsContact C-N 3.28Å; E68-R70 PolarHBondContact O-N 3.28Å; R70-G74 PolarHBondContact O-N 3.02Å; R70-Y114 WeakPolarHBondContact CD-O 3.37Å; R70-Y114 VanDerWaalsContact CG-O 3.24Å; R70-Y114 WeakPolarHBondContact CG-O 3.11Å; R70-H118 VanDerWaalsContact CZ-NE2 3.33Å; R70-H118 PolarHBondContact NH1-NE2 3.15Å; R70-H118 VanDerWaalsContact NH1-NE2 3.19Å; R70-H118 PolarHBondContact NH2-NE2 3.43Å; R70-H118 VanDerWaalsContact NH2-NE2 3.1Å
71I95Very high93.3Very high20 Ų2070 Ų7010%0.10332%0.319CS..Hα-helixtrans-60.4-47.9174.6-73166.4000110.4L12 V16 I19 C67 E68 G74 L75L12-I71 HydrophobicContact CD1-CD1 3.86Å; V16-I71 HydrophobicContact CG2-CD1 3.8Å; V16-I71 HydrophobicContact CG2-CG1 4.3Å; I19-I71 HydrophobicContact CD1-CB 4.44Å; I19-I71 HydrophobicContact CD1-CD1 4.2Å; I19-I71 HydrophobicContact CD1-CG1 4.08Å; I19-I71 HydrophobicContact CD1-CG2 3.54Å; C67-I71 VanDerWaalsContact O-CG1 3.3Å; C67-I71 WeakPolarHBondContact O-CG1 3.21Å; C67-I71 PolarHBondContact O-N 2.98Å; E68-I71 WeakPolarHBondContact O-CB 3.27Å; E68-I71 PolarHBondContact O-N 3.26Å; I71-G74 PolarHBondContact O-N 3.38Å; I71-L75 HydrophobicContact CG2-CD1 3.72Å; I71-L75 HydrophobicContact CG2-CG 4.38Å; I71-L75 WeakPolarHBondContact O-CB 3.46Å; I71-L75 VanDerWaalsContact O-CG 3.27Å; I71-L75 WeakPolarHBondContact O-CG 3.41Å; I71-L75 PolarHBondContact O-N 2.89Å
72E94.1Very high92.9Very high144 Ų14465.4 Ų65.467%0.67331%0.308SS*.Hα-helixtrans-60.9-49.2-178.1-175179179.900111.6E68 A69 L75 H76E68-E72 PolarHBondContact O-N 2.66Å; A69-E72 PolarHBondContact O-N 3.45Å; E72-L75 PolarHBondContact O-N 2.72Å; E72-H76 VanDerWaalsContact O-CB 3.25Å; E72-H76 WeakPolarHBondContact O-CB 3.33Å; E72-H76 PolarHBondContact O-N 3.09Å
73I91.3Very high92Very high39 Ų3964.1 Ų64.120%0.230%0.303CS..Hα-helixtrans-64.5-44.3178.9-70.7169.7000110.7A69 L75 H76 Y77 Y114A69-I73 WeakPolarHBondContact O-CB 3.05Å; A69-I73 VanDerWaalsContact O-CG1 3.31Å; A69-I73 WeakPolarHBondContact O-CG1 3.19Å; A69-I73 PolarHBondContact O-N 3.38Å; I73-L75 VanDerWaalsContact C-N 3.35Å; I73-L75 PolarHBondContact O-N 3.46Å; I73-H76 PolarHBondContact O-N 3.28Å; I73-Y77 HydrophobicContact CG2-CD2 3.79Å; I73-Y77 HydrophobicContact CG2-CE2 4.17Å; I73-Y77 WeakPolarHBondContact O-CD2 3.22Å; I73-Y77 PolarHBondContact O-N 3.24Å; I73-Y114 HydrophobicContact CD1-CD1 2.98Å; I73-Y114 HydrophobicContact CD1-CD2 3.93Å; I73-Y114 HydrophobicContact CD1-CE1 3.24Å; I73-Y114 HydrophobicContact CD1-CE2 4.17Å; I73-Y114 HydrophobicContact CD1-CG 3.36Å; I73-Y114 HydrophobicContact CG1-CD1 4.5Å
74G92.9Very high90.6Very high8 Ų865.6 Ų65.68%0.08232%0.318CS..Hα-helixtrans-57.8-49.4178.400000111.3W23 R70 I71 R78 N79W23-G74 VanDerWaalsContact CH2-O 3.32Å; W23-G74 WeakPolarHBondContact CH2-O 3.38Å; R70-G74 PolarHBondContact O-N 3.02Å; I71-G74 PolarHBondContact O-N 3.38Å; G74-R78 WeakPolarHBondContact O-CA 3.42Å; G74-R78 PolarHBondContact O-N 3.13Å; G74-N79 VanDerWaalsContact CA-O 3.29Å; G74-N79 WeakPolarHBondContact CA-O 3.36Å; G74-N79 PolarHBondContact O-N 3.38Å; G74-N79 VanDerWaalsContact O-N 3.13Å
75L94.1Very high89.2Confident84 Ų8466.4 Ų66.444%0.4433%0.329SS..Hα-helixtrans-66.3-40.6178.8-69.5173.4000112.9I19 W23 I71 E72 I73I19-L75 HydrophobicContact CD1-CD1 4.43Å; I19-L75 HydrophobicContact CG2-CD2 4.12Å; W23-L75 HydrophobicContact CZ3-CD2 3.98Å; I71-L75 HydrophobicContact CG2-CD1 3.72Å; I71-L75 HydrophobicContact CG2-CG 4.38Å; I71-L75 WeakPolarHBondContact O-CB 3.46Å; I71-L75 VanDerWaalsContact O-CG 3.27Å; I71-L75 WeakPolarHBondContact O-CG 3.41Å; I71-L75 PolarHBondContact O-N 2.89Å; E72-L75 PolarHBondContact O-N 2.72Å; I73-L75 VanDerWaalsContact C-N 3.35Å; I73-L75 PolarHBondContact O-N 3.46Å
76H92.9Very high87.7Confident136 Ų13672 Ų7263%0.6335%0.348SS*.Hα-helixtrans-64.8-44.6-179.1179.782.8000112.3E72 I73E72-H76 VanDerWaalsContact O-CB 3.25Å; E72-H76 WeakPolarHBondContact O-CB 3.33Å; E72-H76 PolarHBondContact O-N 3.09Å; I73-H76 PolarHBondContact O-N 3.28Å
77Y90.6Very high86.1Confident115 Ų11575.1 Ų75.145%0.45136%0.364SS..Hα-helixtrans-93.7-5.1-178.7-66.5-71.9000113.9I73 N79 R83I73-Y77 HydrophobicContact CG2-CD2 3.79Å; I73-Y77 HydrophobicContact CG2-CE2 4.17Å; I73-Y77 WeakPolarHBondContact O-CD2 3.22Å; I73-Y77 PolarHBondContact O-N 3.24Å; Y77-N79 PolarHBondContact O-N 3.37Å; Y77-R83 PolarHBondContact OH-NH1 3.1Å
78R91.4Very high84.4Confident147 Ų14777.9 Ų77.956%0.55538%0.382SS*.THydrogen-bonded Turntrans49.446.3-171.3-62.7175.9175.2-175.9-0.7112Q26 G74Q26-R78 HydrophobicContact CB-CB 4.4Å; G74-R78 WeakPolarHBondContact O-CA 3.42Å; G74-R78 PolarHBondContact O-N 3.13Å
79N91.7Very high82.6Confident67 Ų6778.1 Ų78.136%0.35839%0.392SS..  trans-137.9113.2179.4-178.9-9.5000108.7G74 Y77 Y81G74-N79 VanDerWaalsContact CA-O 3.29Å; G74-N79 WeakPolarHBondContact CA-O 3.36Å; G74-N79 PolarHBondContact O-N 3.38Å; G74-N79 VanDerWaalsContact O-N 3.13Å; Y77-N79 PolarHBondContact O-N 3.37Å; N79-Y81 VanDerWaalsContact C-N 3.26Å; N79-Y81 PolarHBondContact O-N 3.41Å; N79-Y81 WeakPolarHBondContact OD1-CB 3.22Å; N79-Y81 VanDerWaalsContact OD1-CD2 3.22Å; N79-Y81 WeakPolarHBondContact OD1-CD2 3.32Å; N79-Y81 PolarHBondContact OD1-N 2.86Å
80P92.4Very high80.8Confident16 Ų1684 Ų8410%0.10442%0.419CS..  trans-78.5-15.1-176.936.1-36.8000112.6W23 E36 Y39 I40W23-P80 HydrophobicContact CH2-CB 4.36Å; W23-P80 HydrophobicContact CZ2-CB 4.02Å; W23-P80 HydrophobicContact CZ2-CG 4.18Å; E36-P80 HydrophobicContact CB-CG 3.81Å; E36-P80 HydrophobicContact CG-CG 3.71Å; Y39-P80 HydrophobicContact CD1-CB 4.13Å; Y39-P80 HydrophobicContact CD1-CG 4.32Å; Y39-P80 WeakPolarHBondContact CE1-O 3.36Å; I40-P80 HydrophobicContact CD1-CB 3.87Å; I40-P80 HydrophobicContact CG1-CB 3.56Å
81Y90.5Very high78.9Confident96 Ų9684.5 Ų84.538%0.37644%0.436SS..SBendtrans-78.2156.8-174.4-55.9-66.9000112.1E36 Y39 N79 R83E36-Y81 HydrophobicContact CG-CE2 3.99Å; Y39-Y81 AromaticContact CD1-CD1 3.72Å; Y39-Y81 HydrophobicContact CD1-CD1 3.72Å; Y39-Y81 AromaticContact CD1-CE1 3.79Å; Y39-Y81 HydrophobicContact CD1-CE1 3.79Å; Y39-Y81 AromaticContact CD2-CD1 3.91Å; Y39-Y81 HydrophobicContact CD2-CD1 3.91Å; Y39-Y81 AromaticContact CD2-CE1 3.67Å; Y39-Y81 HydrophobicContact CD2-CE1 3.67Å; Y39-Y81 AromaticContact CE1-CD1 3.72Å; Y39-Y81 HydrophobicContact CE1-CD1 3.72Å; Y39-Y81 HydrophobicContact CE1-CE1 4.25Å; Y39-Y81 AromaticContact CE2-CD1 3.9Å; Y39-Y81 HydrophobicContact CE2-CD1 3.9Å; Y39-Y81 HydrophobicContact CE2-CE1 4.14Å; Y39-Y81 AromaticContact CG-CD1 3.82Å; Y39-Y81 HydrophobicContact CG-CD1 3.82Å; Y39-Y81 AromaticContact CG-CE1 3.48Å; Y39-Y81 HydrophobicContact CG-CE1 3.48Å; Y39-Y81 VanDerWaalsContact CG-CE1 3.48Å; Y39-Y81 AromaticContact CZ-CD1 3.81Å; N79-Y81 VanDerWaalsContact C-N 3.26Å; N79-Y81 PolarHBondContact O-N 3.41Å; N79-Y81 WeakPolarHBondContact OD1-CB 3.22Å; N79-Y81 VanDerWaalsContact OD1-CD2 3.22Å; N79-Y81 WeakPolarHBondContact OD1-CD2 3.32Å; N79-Y81 PolarHBondContact OD1-N 2.86Å; Y81-R83 PolarHBondContact O-N 2.93Å
82P83.4Confident77.2Confident47 Ų4784.4 Ų84.431%0.30544%0.435SS..  trans-67.5121.6-179-12.630.3000108.7Y39 A84 L115 H118Y39-P82 VanDerWaalsContact OH-CD 3.27Å; Y39-P82 WeakPolarHBondContact OH-CD 3.46Å; Y39-P82 WeakPolarHBondContact OH-CG 3.31Å; P82-A84 PolarHBondContact O-N 2.67Å; P82-L115 HydrophobicContact CB-CD2 3.87Å; P82-H118 WeakPolarHBondContact CG-CE1 3.42Å; P82-H118 WeakPolarHBondContact CG-NE2 3.33Å
83R75.3Confident75.6Confident103 Ų10382.2 Ų82.239%0.38944%0.442SS..  trans-72.1115.5178-166.5177.7-172.2-172.65109.4Y77 Y81 A85 Y114Y77-R83 PolarHBondContact OH-NH1 3.1Å; Y81-R83 PolarHBondContact O-N 2.93Å; R83-A85 PolarHBondContact O-N 3.18Å; R83-Y114 HydrophobicContact CB-CE2 4.17Å
84A66.1Low74.3Confident67 Ų6782.8 Ų82.855%0.55445%0.447SS*.  trans-54.2124.7174.600000110.2P82 Y86P82-A84 PolarHBondContact O-N 2.67Å; A84-Y86 PolarHBondContact O-N 3.13Å
85A65.3Low72.9Confident44 Ų4487.9 Ų87.936%0.36447%0.469SS..  trans-71.3112.4171.800000108R83 L87 L115R83-A85 PolarHBondContact O-N 3.18Å; A85-L87 HydrophobicContact CB-CD1 4.11Å; A85-L87 PolarHBondContact O-N 3.09Å; A85-L115 HydrophobicContact CB-CD1 3.98Å
86Y62.5Low71.6Confident198 Ų19894.1 Ų94.178%0.77649%0.486SS*.  trans-72.951.6175.1-60.9-77.4000111.7A84 P88A84-Y86 PolarHBondContact O-N 3.13Å; Y86-P88 VanDerWaalsContact O-CD 3.3Å; Y86-P88 WeakPolarHBondContact O-CD 3.47Å
87L61.1Low70.7Confident71 Ų7190.1 Ų90.137%0.37248%0.482SS..  trans-73.2113165.2-89.3140.8000106.5A85 P89 R107A85-L87 HydrophobicContact CB-CD1 4.11Å; A85-L87 PolarHBondContact O-N 3.09Å; L87-P89 WeakPolarHBondContact O-CD 3.49Å; L87-R107 HydrophobicContact CD2-CG 4.22Å
88P60.2Low69.7Low81 Ų8195.4 Ų95.453%0.52650%0.501SS..  trans-59.1113.5-172.7-16.224.9000109.1Y86 L90 G91 R107Y86-P88 VanDerWaalsContact O-CD 3.3Å; Y86-P88 WeakPolarHBondContact O-CD 3.47Å; P88-L90 PolarHBondContact O-N 3.16Å; P88-G91 PolarHBondContact O-N 3.01Å; P88-G91 VanDerWaalsContact O-N 3.07Å; P88-R107 PolarHBondContact O-NH2 3.23Å
89P56.5Low68.7Low98 Ų9897.5 Ų97.564%0.63651%0.509SS*.THydrogen-bonded Turntrans-59.4-35.2-176.920.2-30000110.6L87 R107L87-P89 WeakPolarHBondContact O-CD 3.49Å; P89-R107 PolarHBondContact O-NH2 3.33Å
90L55.3Low68Low147 Ų14796 Ų9677%0.7750%0.501SS*.THydrogen-bonded Turntrans-89.8-2.8-179.5-66.3162.3000114.8P88 L92P88-L90 PolarHBondContact O-N 3.16Å; L90-L92 PolarHBondContact O-N 3.12Å; L90-L92 VanDerWaalsContact O-N 3.09Å
91G54.6Low67.2Low47 Ų47104.5 Ų104.549%0.48553%0.531SS..  trans-73.97.4176.200000114.3P88 A93P88-G91 PolarHBondContact O-N 3.01Å; P88-G91 VanDerWaalsContact O-N 3.07Å; G91-A93 PolarHBondContact O-N 3.36Å
92L59.7Low66.6Low17 Ų17102 Ų1029%0.08953%0.53CS..  trans-75.5106.9172.9-55.9168.4000108L90 T94 L100 Q103 R107L90-L92 PolarHBondContact O-N 3.12Å; L90-L92 VanDerWaalsContact O-N 3.09Å; L92-T94 PolarHBondContact O-N 3.15Å; L92-L100 HydrophobicContact CD1-CD1 3.6Å; L92-Q103 HydrophobicContact CD2-CB 3.86Å; L92-Q103 HydrophobicContact CD2-CG 3.35Å; L92-R107 VanDerWaalsContact CG-NH2 3.25Å
93A60.7Low66.2Low99 Ų99102.5 Ų102.582%0.81853%0.528SS*.SBendtrans-58-11.2174.400000113.2G91G91-A93 PolarHBondContact O-N 3.36Å
94T62.5Low66.4Low51 Ų51102.1 Ų102.131%0.31353%0.531SS..  trans-144.3117.5177-50.20000110.8L92 R96L92-T94 PolarHBondContact O-N 3.15Å; T94-R96 VanDerWaalsContact C-N 3.3Å; T94-R96 WeakPolarHBondContact CG2-O 3.37Å; T94-R96 PolarHBondContact O-N 2.86Å
95Q64.4Low67Low115 Ų115106.7 Ų106.754%0.53753%0.534SS..SBendtrans-83.31.3-178-64.3-72.9-38.100113.5
96R67.6Low67.6Low214 Ų214109.7 Ų109.781%0.80854%0.543SS*.SBendtrans-146.7155.9-176-63-173.7-178168.40.8113.1T94T94-R96 VanDerWaalsContact C-N 3.3Å; T94-R96 WeakPolarHBondContact CG2-O 3.37Å; T94-R96 PolarHBondContact O-N 2.86Å
97G73Confident68.2Low52 Ų52103.2 Ų103.254%0.53652%0.518SS..SBendtrans83-165.2167.500000116.6R99 L100G97-R99 VanDerWaalsContact C-N 3.28Å; G97-R99 PolarHBondContact O-N 3.41Å; G97-L100 WeakPolarHBondContact O-CB 3.47Å; G97-L100 PolarHBondContact O-N 3.17Å; G97-L100 VanDerWaalsContact O-N 3.16Å
98R69.8Low69Low227 Ų227108.3 Ų108.386%0.85754%0.537SS*.Hα-helixtrans-61.1-31.8-172.1-163177.1-171.3-177.32.7113.5R101 A102R98-R101 PolarHBondContact O-N 2.97Å; R98-A102 PolarHBondContact O-N 3.03Å
99R71.1Confident69.9Low191 Ų191110.8 Ų110.872%0.72154%0.541SS*.Hα-helixtrans-67.3-34.9177.7-69.3-176.4-179.7173.70112.5G97 A102 Q103G97-R99 VanDerWaalsContact C-N 3.28Å; G97-R99 PolarHBondContact O-N 3.41Å; R99-A102 PolarHBondContact O-N 2.97Å; R99-Q103 WeakPolarHBondContact O-CB 3.26Å; R99-Q103 PolarHBondContact O-N 3.42Å
100L76.3Confident70.8Confident34 Ų34109.2 Ų109.218%0.17854%0.537CS..Hα-helixtrans-61.3-45.5174177.865.4000111.5L92 G97 A102 Q103 Q104L92-L100 HydrophobicContact CD1-CD1 3.6Å; G97-L100 WeakPolarHBondContact O-CB 3.47Å; G97-L100 PolarHBondContact O-N 3.17Å; G97-L100 VanDerWaalsContact O-N 3.16Å; L100-A102 PolarHBondContact O-N 3.25Å; L100-Q103 PolarHBondContact O-N 2.64Å; L100-Q104 HydrophobicContact CD1-CG 4.42Å; L100-Q104 VanDerWaalsContact O-CG 3.31Å; L100-Q104 WeakPolarHBondContact O-CG 3.14Å; L100-Q104 PolarHBondContact O-N 3.25Å
101R76.2Confident71.7Confident195 Ų195104.5 Ų104.574%0.73651%0.51SS*.Hα-helixtrans-63.1-43.2179.1-64.7-173.8-178.1-174.80.9112.2R98 Q103 Q104 R105R98-R101 PolarHBondContact O-N 2.97Å; R101-Q103 VanDerWaalsContact C-N 3.31Å; R101-Q103 PolarHBondContact O-N 3.24Å; R101-Q104 PolarHBondContact O-N 2.94Å; R101-R105 PolarHBondContact O-N 2.83Å
102A77.4Confident73Confident44 Ų44103.9 Ų103.936%0.36450%0.497SS..Hα-helixtrans-61.3-42.4176.100000111.3R98 R99 L100 R105 L106R98-A102 PolarHBondContact O-N 3.03Å; R99-A102 PolarHBondContact O-N 2.97Å; L100-A102 PolarHBondContact O-N 3.25Å; A102-R105 PolarHBondContact O-N 3.38Å; A102-L106 WeakPolarHBondContact O-CG 3.48Å; A102-L106 PolarHBondContact O-N 3.01Å
103Q75.3Confident74.1Confident57 Ų57106.1 Ų106.127%0.26651%0.511SS..Hα-helixtrans-68.9-40178.6-156.9168.610.700112.3L92 R99 L100 R101 R105 L106 R107L92-Q103 HydrophobicContact CD2-CB 3.86Å; L92-Q103 HydrophobicContact CD2-CG 3.35Å; R99-Q103 WeakPolarHBondContact O-CB 3.26Å; R99-Q103 PolarHBondContact O-N 3.42Å; L100-Q103 PolarHBondContact O-N 2.64Å; R101-Q103 VanDerWaalsContact C-N 3.31Å; R101-Q103 PolarHBondContact O-N 3.24Å; Q103-R105 VanDerWaalsContact C-N 3.3Å; Q103-R105 PolarHBondContact O-N 3.41Å; Q103-L106 PolarHBondContact O-N 3.24Å; Q103-R107 WeakPolarHBondContact O-CG 3.49Å; Q103-R107 PolarHBondContact O-N 3.46Å
104Q78.6Confident74.9Confident96 Ų96103.3 Ų103.345%0.44948%0.48SS..Hα-helixtrans-59.3-40171.8-74171.9-6.800112.1L100 R101 R107 K108L100-Q104 HydrophobicContact CD1-CG 4.42Å; L100-Q104 VanDerWaalsContact O-CG 3.31Å; L100-Q104 WeakPolarHBondContact O-CG 3.14Å; L100-Q104 PolarHBondContact O-N 3.25Å; R101-Q104 PolarHBondContact O-N 2.94Å; Q104-R107 WeakPolarHBondContact O-CB 3.38Å; Q104-R107 PolarHBondContact O-N 2.95Å; Q104-K108 PolarHBondContact O-N 2.92Å
105R79.3Confident75.8Confident163 Ų163101.5 Ų101.562%0.61547%0.468SS*.Hα-helixtrans-65.1-45.9176-172.7174.865.9-177.84111.9R101 A102 Q103 R107 K108 Q109R101-R105 PolarHBondContact O-N 2.83Å; A102-R105 PolarHBondContact O-N 3.38Å; Q103-R105 VanDerWaalsContact C-N 3.3Å; Q103-R105 PolarHBondContact O-N 3.41Å; R105-R107 PolarHBondContact O-N 2.87Å; R105-K108 PolarHBondContact O-N 3.49Å; R105-Q109 WeakPolarHBondContact O-CG 3.29Å; R105-Q109 PolarHBondContact O-N 3.48Å
106L77.9Confident76.7Confident107 Ų107100.1 Ų100.156%0.5646%0.462SS*.Hα-helixtrans-59.1-36.8175-72.1170.4000111.5A102 Q103 Q109 A110A102-L106 WeakPolarHBondContact O-CG 3.48Å; A102-L106 PolarHBondContact O-N 3.01Å; Q103-L106 PolarHBondContact O-N 3.24Å; L106-Q109 PolarHBondContact O-N 3.33Å; L106-A110 VanDerWaalsContact O-CB 3.25Å; L106-A110 WeakPolarHBondContact O-CB 3.44Å; L106-A110 PolarHBondContact O-N 3.38Å
107R75.9Confident77.3Confident62 Ų6291.5 Ų91.523%0.23443%0.434CS..Hα-helixtrans-64.8-46.1174.7-72.3-178.4169.3-177.9-3.9113L87 P88 P89 L92 Q103 Q104 R105 Q109 A110 K111L87-R107 HydrophobicContact CD2-CG 4.22Å; P88-R107 PolarHBondContact O-NH2 3.23Å; P89-R107 PolarHBondContact O-NH2 3.33Å; L92-R107 VanDerWaalsContact CG-NH2 3.25Å; Q103-R107 WeakPolarHBondContact O-CG 3.49Å; Q103-R107 PolarHBondContact O-N 3.46Å; Q104-R107 WeakPolarHBondContact O-CB 3.38Å; Q104-R107 PolarHBondContact O-N 2.95Å; R105-R107 PolarHBondContact O-N 2.87Å; R107-Q109 PolarHBondContact O-N 2.99Å; R107-A110 PolarHBondContact O-N 2.92Å; R107-K111 PolarHBondContact O-N 3.4Å
108K77.7Confident77.3Confident178 Ų17891.9 Ų91.977%0.77442%0.422SS*.Hα-helixtrans-58.4-38.8175.4-71.3-173177.2-165.10111.3Q104 R105 K111Q104-K108 PolarHBondContact O-N 2.92Å; R105-K108 PolarHBondContact O-N 3.49Å; K108-K111 WeakPolarHBondContact O-CB 3.3Å
109Q77.9Confident76.8Confident133 Ų13386.1 Ų86.162%0.62141%0.408SS*.Hα-helixtrans-72.3-36.3177.1-70.1174.4-18.900113.4R105 L106 R107 K111R105-Q109 WeakPolarHBondContact O-CG 3.29Å; R105-Q109 PolarHBondContact O-N 3.48Å; L106-Q109 PolarHBondContact O-N 3.33Å; R107-Q109 PolarHBondContact O-N 2.99Å; Q109-K111 PolarHBondContact O-N 3.12Å
110A76.1Confident75.6Confident65 Ų6584.1 Ų84.154%0.53741%0.412SS..THydrogen-bonded Turntrans-79.70.9179.200000113.4L106 R107L106-A110 VanDerWaalsContact O-CB 3.25Å; L106-A110 WeakPolarHBondContact O-CB 3.44Å; L106-A110 PolarHBondContact O-N 3.38Å; R107-A110 PolarHBondContact O-N 2.92Å
111K74.1Confident73.6Confident47 Ų4791.9 Ų91.920%0.20446%0.461CS..SBendtrans-67.9131.4179-169.2176.2174.8-1750109.2R107 K108 Q109 L115 D119R107-K111 PolarHBondContact O-N 3.4Å; K108-K111 WeakPolarHBondContact O-CB 3.3Å; Q109-K111 PolarHBondContact O-N 3.12Å; K111-L115 HydrophobicContact CD-CB 4.4Å; K111-L115 WeakPolarHBondContact CE-O 3.28Å; K111-L115 HydrophobicContact CG-CB 4.33Å; K111-L115 PolarHBondContact NZ-O 2.97Å; K111-D119 IonicContact NZ-OD1 2.86Å; K111-D119 PolarHBondContact NZ-OD1 3.02Å; K111-D119 IonicContact NZ-OD2 2.62Å; K111-D119 PolarHBondContact NZ-OD2 3.22Å
112P82.5Confident73.5Confident35 Ų3586.8 Ų86.823%0.22745%0.447CS..  trans-70150.2-179.831.3-37000110.9Y114 L115P112-Y114 HydrophobicContact CB-CD1 3.58Å; P112-Y114 HydrophobicContact CB-CE1 3.25Å; P112-Y114 HydrophobicContact CB-CG 4.48Å; P112-Y114 HydrophobicContact CG-CD1 4.04Å; P112-Y114 HydrophobicContact CG-CE1 3.48Å; P112-Y114 VanDerWaalsContact CG-CE1 3.48Å; P112-Y114 HydrophobicContact CG-CE2 4.18Å; P112-Y114 PolarHBondContact O-N 3.14Å; P112-L115 HydrophobicContact CG-CB 4.47Å; P112-L115 HydrophobicContact CG-CD1 3.75Å; P112-L115 HydrophobicContact CG-CG 4.08Å; P112-L115 PolarHBondContact O-N 3.17Å
113V83.1Confident73.3Confident63 Ų6389 Ų8938%0.38245%0.452SS..G310 helixtrans-56.3-37.3-173.7-178.50000112.3E66 L115 Q116E66-V113 HydrophobicContact CB-CG1 4.24Å; E66-V113 WeakPolarHBondContact CG-O 3.34Å; V113-L115 PolarHBondContact O-N 2.77Å; V113-Q116 WeakPolarHBondContact O-CG 3.39Å; V113-Q116 PolarHBondContact O-N 3.29Å
114Y77.1Confident73.2Confident40 Ų4090.8 Ų90.816%0.15746%0.462CS..G310 helixtrans-69.9-1.1-176.468.5-98.3000115.5R70 I73 R83 P112R70-Y114 WeakPolarHBondContact CD-O 3.37Å; R70-Y114 VanDerWaalsContact CG-O 3.24Å; R70-Y114 WeakPolarHBondContact CG-O 3.11Å; I73-Y114 HydrophobicContact CD1-CD1 2.98Å; I73-Y114 HydrophobicContact CD1-CD2 3.93Å; I73-Y114 HydrophobicContact CD1-CE1 3.24Å; I73-Y114 HydrophobicContact CD1-CE2 4.17Å; I73-Y114 HydrophobicContact CD1-CG 3.36Å; I73-Y114 HydrophobicContact CG1-CD1 4.5Å; R83-Y114 HydrophobicContact CB-CE2 4.17Å; P112-Y114 HydrophobicContact CB-CD1 3.58Å; P112-Y114 HydrophobicContact CB-CE1 3.25Å; P112-Y114 HydrophobicContact CB-CG 4.48Å; P112-Y114 HydrophobicContact CG-CD1 4.04Å; P112-Y114 HydrophobicContact CG-CE1 3.48Å; P112-Y114 VanDerWaalsContact CG-CE1 3.48Å; P112-Y114 HydrophobicContact CG-CE2 4.18Å; P112-Y114 PolarHBondContact O-N 3.14Å
115L81.9Confident72.9Confident14 Ų1490.5 Ų90.57%0.07346%0.463CS..G310 helixtrans-113.91.1179.9-69.1179.9000113.7P82 A85 K111 P112 V113 S117 H118P82-L115 HydrophobicContact CB-CD2 3.87Å; A85-L115 HydrophobicContact CB-CD1 3.98Å; K111-L115 HydrophobicContact CD-CB 4.4Å; K111-L115 WeakPolarHBondContact CE-O 3.28Å; K111-L115 HydrophobicContact CG-CB 4.33Å; K111-L115 PolarHBondContact NZ-O 2.97Å; P112-L115 HydrophobicContact CG-CB 4.47Å; P112-L115 HydrophobicContact CG-CD1 3.75Å; P112-L115 HydrophobicContact CG-CG 4.08Å; P112-L115 PolarHBondContact O-N 3.17Å; V113-L115 PolarHBondContact O-N 2.77Å; L115-S117 VanDerWaalsContact C-N 3.28Å; L115-S117 PolarHBondContact O-N 2.9Å; L115-H118 PolarHBondContact O-N 3.41Å; L115-H118 VanDerWaalsContact O-N 3.1Å
116Q81.9Confident72.5Confident85 Ų8585.9 Ų85.940%0.39745%0.453SS..G310 helixtrans-57.7-39.9-173.4-71.91793.300112.5E66 V113 H118E66-Q116 PolarHBondContact OE1-N 2.9Å; V113-Q116 WeakPolarHBondContact O-CG 3.39Å; V113-Q116 PolarHBondContact O-N 3.29Å; Q116-H118 PolarHBondContact O-N 3.37Å
117S79.7Confident72.1Confident33 Ų3384.5 Ų84.523%0.23145%0.446CS..G310 helixtrans-70-7.5179.3-66.70000115.1E66 L115E66-S117 VanDerWaalsContact OE1-CB 3.29Å; E66-S117 WeakPolarHBondContact OE1-CB 3.22Å; E66-S117 PolarHBondContact OE1-N 3.14Å; E66-S117 PolarHBondContact OE1-OG 3.37Å; E66-S117 PolarHBondContact OE2-N 3.41Å; E66-S117 PolarHBondContact OE2-OG 3.03Å; L115-S117 VanDerWaalsContact C-N 3.28Å; L115-S117 PolarHBondContact O-N 2.9Å
118H73.5Confident71.8Confident60 Ų6086.1 Ų86.128%0.27846%0.461SS..G310 helixtrans-98.24.4-178.3-73.4-77.6000114.3E43 R70 P82 L115 Q116E43-H118 IonicContact OE1-CE1 3.36Å; E43-H118 PolarHBondContact OE1-CE1 2.93Å; E43-H118 IonicContact OE1-NE2 2.72Å; E43-H118 PolarHBondContact OE1-NE2 3.4Å; R70-H118 VanDerWaalsContact CZ-NE2 3.33Å; R70-H118 PolarHBondContact NH1-NE2 3.15Å; R70-H118 VanDerWaalsContact NH1-NE2 3.19Å; R70-H118 PolarHBondContact NH2-NE2 3.43Å; R70-H118 VanDerWaalsContact NH2-NE2 3.1Å; P82-H118 WeakPolarHBondContact CG-CE1 3.42Å; P82-H118 WeakPolarHBondContact CG-NE2 3.33Å; L115-H118 PolarHBondContact O-N 3.41Å; L115-H118 VanDerWaalsContact O-N 3.1Å; Q116-H118 PolarHBondContact O-N 3.37Å
119D59.8Low71.4Confident106 Ų10679.1 Ų79.157%0.56744%0.437SS*.SBendtrans-83-12.2180-80.6-31.5000114.7K111 T121K111-D119 IonicContact NZ-OD1 2.86Å; K111-D119 PolarHBondContact NZ-OD1 3.02Å; K111-D119 IonicContact NZ-OD2 2.62Å; K111-D119 PolarHBondContact NZ-OD2 3.22Å; D119-T121 PolarHBondContact O-N 2.94Å
120D45.1Very low70.8Confident149 Ų14974.6 Ų74.680%0.79742%0.422SS*.  trans-99.629.1-167.4-69.8-28000114.7
121T35.2Very low70.3Confident198 Ų19875.5 Ų75.5100%1.21541%0.412SS*.  trans-128.80173.120.50000112.5D119D119-T121 PolarHBondContact O-N 2.94Å

Retrieved 121 of 121 residues in 310.1 ms (Link to these results)

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