A0A087XZE5_POEFO Loading...

Guanosine-3',5'-bis(diphosphate) 3'-pyrophosphohydrolase MESH1

ppGpp hydrolyzing enzyme involved in starvation response.

AlphaFold DB , UniProt , Accession A0A087XZE5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 179 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M57.3Low91.8Very high242 Ų24292.4 Ų92.4100%1.19250%0.501SS*.  01200-71.1179.3-155.500105.6
2D76.1Confident92.4Very high127 Ų12788.4 Ų88.468%0.67948%0.482SS*.  trans-63.9147172.4-62.2-43.1000109L7D2-L7 HydrophobicContact CB-CD2 4.32Å
3S95.1Very high92.9Very high61 Ų6187.4 Ų87.443%0.42748%0.476SS..  trans-69.8153.517874.30000110.4A5 S6 L7S3-A5 PolarHBondContact O-N 2.81Å; S3-S6 WeakPolarHBondContact O-CA 3.47Å; S3-S6 VanDerWaalsContact O-CB 3.27Å; S3-S6 WeakPolarHBondContact O-CB 3.21Å; S3-S6 PolarHBondContact O-N 3.21Å; S3-S6 PolarHBondContact OG-N 2.94Å; S3-S6 PolarHBondContact OG-OG 3.36Å; S3-L7 PolarHBondContact O-N 3.24Å
4E95.1Very high93.3Very high128 Ų12881.6 Ų81.660%0.59844%0.444SS*.Hα-helixtrans-55.1-35173.1-70-179.7173.900111.9L7 L8 I52E4-L7 PolarHBondContact O-N 2.67Å; E4-L8 WeakPolarHBondContact O-CG 3.18Å; E4-L8 PolarHBondContact O-N 2.95Å; E4-I52 HydrophobicContact CB-CD1 4.26Å
5A97Very high93.7Very high60 Ų6076.2 Ų76.250%0.49642%0.415SS..Hα-helixtrans-62-42.9173.500000111.8S3 L8 L9S3-A5 PolarHBondContact O-N 2.81Å; A5-L8 PolarHBondContact O-N 3.46Å; A5-L9 WeakPolarHBondContact O-CB 3.5Å; A5-L9 WeakPolarHBondContact O-CG 3.34Å; A5-L9 PolarHBondContact O-N 2.93Å
6S97.6Very high94Very high56 Ų5673.5 Ų73.539%0.39241%0.406SS..Hα-helixtrans-61.6-44.3175.4-56.60000111.4S3 L9 E10S3-S6 WeakPolarHBondContact O-CA 3.47Å; S3-S6 VanDerWaalsContact O-CB 3.27Å; S3-S6 WeakPolarHBondContact O-CB 3.21Å; S3-S6 PolarHBondContact O-N 3.21Å; S3-S6 PolarHBondContact OG-N 2.94Å; S3-S6 PolarHBondContact OG-OG 3.36Å; S6-L9 PolarHBondContact O-N 3.21Å; S6-E10 WeakPolarHBondContact O-CB 3.49Å; S6-E10 PolarHBondContact O-N 2.79Å
7L97.8Very high94.3Very high55 Ų5575.3 Ų75.329%0.28841%0.41SS..Hα-helixtrans-61.4-46.2178.1-65.7174.9000111.7D2 S3 E4 T11 I52D2-L7 HydrophobicContact CB-CD2 4.32Å; S3-L7 PolarHBondContact O-N 3.24Å; E4-L7 PolarHBondContact O-N 2.67Å; L7-T11 WeakPolarHBondContact O-CB 3.49Å; L7-T11 PolarHBondContact O-N 3.5Å; L7-T11 PolarHBondContact O-OG1 3.11Å; L7-I52 HydrophobicContact CB-CD1 4.25Å; L7-I52 HydrophobicContact CB-CG1 4.24Å; L7-I52 HydrophobicContact CD1-CG1 3.95Å
8L98.4Very high94.5Very high56 Ų5673.1 Ų73.129%0.29340%0.396SS..Hα-helixtrans-65.2-42.6176.9-71.1177000112.2E4 A5 T11 V12 I52 L55 Q56 L59E4-L8 WeakPolarHBondContact O-CG 3.18Å; E4-L8 PolarHBondContact O-N 2.95Å; A5-L8 PolarHBondContact O-N 3.46Å; L8-T11 PolarHBondContact O-N 3.25Å; L8-V12 VanDerWaalsContact O-CG2 3.29Å; L8-V12 WeakPolarHBondContact O-CG2 3.38Å; L8-V12 PolarHBondContact O-N 3.32Å; L8-I52 HydrophobicContact CD1-CD1 4.25Å; L8-I52 HydrophobicContact CD2-CD1 3.63Å; L8-I52 HydrophobicContact CG-CD1 3.58Å; L8-L55 HydrophobicContact CD2-CB 4.01Å; L8-Q56 HydrophobicContact CD2-CG 4.46Å; L8-L59 HydrophobicContact CD2-CD1 4.05Å
9L98.5Very high94.8Very high126 Ų12669.4 Ų69.466%0.6638%0.376SS*.Hα-helixtrans-63-43.7179.7-73.7171.3000112A5 S6 T11 V12 N13A5-L9 WeakPolarHBondContact O-CB 3.5Å; A5-L9 WeakPolarHBondContact O-CG 3.34Å; A5-L9 PolarHBondContact O-N 2.93Å; S6-L9 PolarHBondContact O-N 3.21Å; L9-T11 VanDerWaalsContact C-N 3.31Å; L9-T11 PolarHBondContact O-N 3.24Å; L9-V12 PolarHBondContact O-N 3.22Å; L9-N13 WeakPolarHBondContact O-CB 3.38Å; L9-N13 PolarHBondContact O-N 3.23Å
10E98.4Very high94.9Very high105 Ų10573.8 Ų73.849%0.49139%0.387SS..Hα-helixtrans-61-43.7174.7-177.159.1-154.200111.1S6 N13 F14 F78S6-E10 WeakPolarHBondContact O-CB 3.49Å; S6-E10 PolarHBondContact O-N 2.79Å; E10-N13 PolarHBondContact O-N 3.2Å; E10-F14 WeakPolarHBondContact O-CB 3.44Å; E10-F14 PolarHBondContact O-N 3.43Å; E10-F78 HydrophobicContact CG-CE1 4.46Å
11T98.8Very high95.1Very high0 Ų078.4 Ų78.40%040%0.404CS..Hα-helixtrans-65.9-43.8-179-520000112.2L7 L8 L9 N13 F14 A15 Q56 L59 L60 F78L7-T11 WeakPolarHBondContact O-CB 3.49Å; L7-T11 PolarHBondContact O-N 3.5Å; L7-T11 PolarHBondContact O-OG1 3.11Å; L8-T11 PolarHBondContact O-N 3.25Å; L9-T11 VanDerWaalsContact C-N 3.31Å; L9-T11 PolarHBondContact O-N 3.24Å; T11-N13 VanDerWaalsContact C-N 3.35Å; T11-F14 PolarHBondContact O-N 2.87Å; T11-A15 WeakPolarHBondContact O-CB 3.46Å; T11-A15 PolarHBondContact O-N 3.2Å; T11-Q56 HydrophobicContact CG2-CB 4.01Å; T11-Q56 HydrophobicContact CG2-CG 4.17Å; T11-Q56 WeakPolarHBondContact OG1-CG 3.15Å; T11-Q56 PolarHBondContact OG1-NE2 3.21Å; T11-L59 HydrophobicContact CG2-CB 3.78Å; T11-L59 HydrophobicContact CG2-CD1 3.94Å; T11-L60 HydrophobicContact CG2-CD1 3.71Å; T11-L60 HydrophobicContact CG2-CD2 3.83Å; T11-L60 HydrophobicContact CG2-CG 3.52Å; T11-F78 HydrophobicContact CG2-CE1 4.24Å
12V98.7Very high97Very high45 Ų4569 Ų6927%0.27336%0.357SS..Hα-helixtrans-63-42.7175.1173.80000110.4L8 L9 A15 A16 I37 L59L8-V12 VanDerWaalsContact O-CG2 3.29Å; L8-V12 WeakPolarHBondContact O-CG2 3.38Å; L8-V12 PolarHBondContact O-N 3.32Å; L9-V12 PolarHBondContact O-N 3.22Å; V12-A15 PolarHBondContact O-N 3.47Å; V12-A16 VanDerWaalsContact O-CB 3.25Å; V12-A16 WeakPolarHBondContact O-CB 3.01Å; V12-A16 PolarHBondContact O-N 3.45Å; V12-I37 HydrophobicContact CG1-CD1 4.15Å; V12-I37 HydrophobicContact CG1-CG1 4.41Å; V12-L59 HydrophobicContact CG2-CD1 3.57Å; V12-L59 HydrophobicContact CG2-CD2 3.79Å; V12-L59 HydrophobicContact CG2-CG 4.3Å
13N98.8Very high98.1Very high75 Ų7568.3 Ų68.340%0.40135%0.345SS..Hα-helixtrans-60.1-48.9177.9-175.569.4000111.1L9 E10 T11 A15 A16 E17L9-N13 WeakPolarHBondContact O-CB 3.38Å; L9-N13 PolarHBondContact O-N 3.23Å; E10-N13 PolarHBondContact O-N 3.2Å; T11-N13 VanDerWaalsContact C-N 3.35Å; N13-A15 PolarHBondContact O-N 3.44Å; N13-A16 WeakPolarHBondContact O-CB 3.37Å; N13-A16 PolarHBondContact O-N 2.82Å; N13-E17 PolarHBondContact ND2-OE1 2.94Å; N13-E17 WeakPolarHBondContact O-CG 3.47Å; N13-E17 PolarHBondContact O-N 3.14Å
14F98.9Very high98.2Very high7 Ų766.7 Ų66.73%0.03133%0.329CS..Hα-helixtrans-58.1-50.2177.6-178-88.7000112.2E10 T11 A16 E17 K18 L60 T63 T69 E73 L74 K77 F78E10-F14 WeakPolarHBondContact O-CB 3.44Å; E10-F14 PolarHBondContact O-N 3.43Å; T11-F14 PolarHBondContact O-N 2.87Å; F14-A16 VanDerWaalsContact C-N 3.29Å; F14-A16 PolarHBondContact O-N 3.28Å; F14-E17 PolarHBondContact O-N 3.44Å; F14-K18 HydrophobicContact CD1-CG 4.06Å; F14-K18 HydrophobicContact CE1-CD 4.47Å; F14-K18 HydrophobicContact CE1-CG 3.71Å; F14-K18 HydrophobicContact CE2-CG 4.45Å; F14-K18 HydrophobicContact CZ-CD 4.25Å; F14-K18 HydrophobicContact CZ-CG 3.95Å; F14-K18 WeakPolarHBondContact O-CG 3.49Å; F14-K18 PolarHBondContact O-N 3.2Å; F14-L60 HydrophobicContact CD1-CD2 3.5Å; F14-L60 VanDerWaalsContact CD1-CD2 3.5Å; F14-L60 HydrophobicContact CE1-CD2 4.04Å; F14-L60 HydrophobicContact CG-CD2 4.49Å; F14-T63 HydrophobicContact CE1-CG2 4.48Å; F14-T69 HydrophobicContact CE1-CG2 4.04Å; F14-T69 HydrophobicContact CZ-CG2 3.94Å; F14-E73 HydrophobicContact CE2-CG 4.36Å; F14-E73 WeakPolarHBondContact CE2-OE1 3.27Å; F14-E73 HydrophobicContact CZ-CG 4.19Å; F14-L74 HydrophobicContact CE1-CD2 3.8Å; F14-L74 HydrophobicContact CZ-CD2 4.15Å; F14-K77 HydrophobicContact CD2-CD 3.99Å; F14-K77 HydrophobicContact CE2-CD 3.56Å; F14-K77 HydrophobicContact CZ-CD 4.33Å; F14-F78 HydrophobicContact CB-CE2 4.47Å; F14-F78 HydrophobicContact CB-CZ 3.74Å; F14-F78 AromaticContact CD1-CE2 3.88Å; F14-F78 HydrophobicContact CD1-CE2 3.88Å; F14-F78 AromaticContact CD1-CZ 3.97Å; F14-F78 HydrophobicContact CD1-CZ 3.97Å; F14-F78 HydrophobicContact CD2-CE2 4.2Å; F14-F78 HydrophobicContact CD2-CZ 4.11Å; F14-F78 HydrophobicContact CE1-CE2 4.08Å; F14-F78 HydrophobicContact CE2-CE2 4.4Å; F14-F78 AromaticContact CG-CE2 3.92Å; F14-F78 HydrophobicContact CG-CE2 3.92Å; F14-F78 AromaticContact CG-CZ 3.67Å; F14-F78 HydrophobicContact CG-CZ 3.67Å; F14-F78 HydrophobicContact CZ-CE2 4.32Å
15A98.9Very high98.2Very high0 Ų067.4 Ų67.40%033%0.331CS..Hα-helixtrans-59.2-41.3177.400000111.6T11 V12 N13 K18 H19 I33 L59 L60T11-A15 WeakPolarHBondContact O-CB 3.46Å; T11-A15 PolarHBondContact O-N 3.2Å; V12-A15 PolarHBondContact O-N 3.47Å; N13-A15 PolarHBondContact O-N 3.44Å; A15-K18 PolarHBondContact O-N 3.4Å; A15-H19 WeakPolarHBondContact O-CB 3.22Å; A15-H19 PolarHBondContact O-CD2 3.09Å; A15-H19 VanDerWaalsContact O-CD2 3.23Å; A15-H19 PolarHBondContact O-N 3.21Å; A15-I33 HydrophobicContact CB-CD1 3.7Å; A15-L59 VanDerWaalsContact CB-O 3.3Å; A15-L59 WeakPolarHBondContact CB-O 3.13Å; A15-L60 HydrophobicContact CB-CD2 4.35Å
16A98.8Very high98.2Very high33 Ų3365.3 Ų65.327%0.27331%0.311SS..Hα-helixtrans-64-41.9178.200000112V12 N13 F14 R20 I33V12-A16 VanDerWaalsContact O-CB 3.25Å; V12-A16 WeakPolarHBondContact O-CB 3.01Å; V12-A16 PolarHBondContact O-N 3.45Å; N13-A16 WeakPolarHBondContact O-CB 3.37Å; N13-A16 PolarHBondContact O-N 2.82Å; F14-A16 VanDerWaalsContact C-N 3.29Å; F14-A16 PolarHBondContact O-N 3.28Å; A16-R20 VanDerWaalsContact O-CA 3.32Å; A16-R20 WeakPolarHBondContact O-CA 3.29Å; A16-R20 WeakPolarHBondContact O-CB 3.48Å; A16-R20 PolarHBondContact O-N 3.23Å; A16-I33 HydrophobicContact CB-CD1 4.03Å; A16-I33 HydrophobicContact CB-CG1 3.83Å
17E98.7Very high98Very high104 Ų10466.5 Ų66.549%0.48632%0.317SS..Hα-helixtrans-64.8-45.9177.2-74.8-179.6-178.400112N13 F14 R20N13-E17 PolarHBondContact ND2-OE1 2.94Å; N13-E17 WeakPolarHBondContact O-CG 3.47Å; N13-E17 PolarHBondContact O-N 3.14Å; F14-E17 PolarHBondContact O-N 3.44Å; E17-R20 WeakPolarHBondContact O-CB 3.43Å; E17-R20 VanDerWaalsContact O-CD 3.3Å; E17-R20 WeakPolarHBondContact O-CD 3.43Å; E17-R20 VanDerWaalsContact O-CG 3.25Å; E17-R20 WeakPolarHBondContact O-CG 3.42Å; E17-R20 PolarHBondContact O-N 2.9Å; E17-R20 PolarHBondContact O-NH1 3.38Å
18K98.7Very high97.9Very high36 Ų3672 Ų7216%0.15734%0.342CS..Hα-helixtrans-64.2-44.3178.7-68.2-65.2-166.5165.80111.7F14 A15 R20 T63 T67 D68 T69 E73F14-K18 HydrophobicContact CD1-CG 4.06Å; F14-K18 HydrophobicContact CE1-CD 4.47Å; F14-K18 HydrophobicContact CE1-CG 3.71Å; F14-K18 HydrophobicContact CE2-CG 4.45Å; F14-K18 HydrophobicContact CZ-CD 4.25Å; F14-K18 HydrophobicContact CZ-CG 3.95Å; F14-K18 WeakPolarHBondContact O-CG 3.49Å; F14-K18 PolarHBondContact O-N 3.2Å; A15-K18 PolarHBondContact O-N 3.4Å; K18-R20 PolarHBondContact O-N 3.42Å; K18-T63 HydrophobicContact CB-CG2 4.42Å; K18-T67 HydrophobicContact CB-CG2 4.03Å; K18-D68 WeakPolarHBondContact CD-OD1 3.41Å; K18-D68 IonicContact NZ-OD1 3.23Å; K18-D68 PolarHBondContact NZ-OD1 2.85Å; K18-T69 WeakPolarHBondContact CD-OG1 3.37Å; K18-T69 WeakPolarHBondContact CE-OG1 3.43Å; K18-T69 WeakPolarHBondContact CG-OG1 3.46Å; K18-T69 PolarHBondContact NZ-OG1 3.07Å; K18-E73 WeakPolarHBondContact CE-OE1 3.47Å; K18-E73 IonicContact NZ-OE1 2.93Å; K18-E73 PolarHBondContact NZ-OE1 3.39Å; K18-E73 IonicContact NZ-OE2 3.67Å; K18-E73 PolarHBondContact NZ-OE2 3.23Å
19H98.7Very high97.9Very high3 Ų375.6 Ų75.61%0.01436%0.357CS..THydrogen-bonded Turntrans-88.68.7179.8-65.3-66.7000114.7A15 K21 Q22 Y32 T67A15-H19 WeakPolarHBondContact O-CB 3.22Å; A15-H19 PolarHBondContact O-CD2 3.09Å; A15-H19 VanDerWaalsContact O-CD2 3.23Å; A15-H19 PolarHBondContact O-N 3.21Å; H19-K21 PolarHBondContact O-N 3.05Å; H19-Q22 HydrophobicContact CB-CB 4.43Å; H19-Q22 PolarHBondContact CE1-OE1 2.98Å; H19-Q22 PolarHBondContact ND1-OE1 3.35Å; H19-Q22 PolarHBondContact O-N 3.19Å; H19-Y32 HydrophobicContact CB-CD1 4.23Å; H19-Y32 AromaticContact CE1-CD1 3.94Å; H19-Y32 AromaticContact CE1-CE1 3.93Å; H19-Y32 AromaticContact CG-CD1 3.81Å; H19-Y32 AromaticContact ND1-CD1 3.6Å; H19-T67 VanDerWaalsContact CE1-CG2 3.4Å; H19-T67 WeakPolarHBondContact CE1-CG2 3.27Å; H19-T67 WeakPolarHBondContact ND1-CG2 3.29Å
20R98.3Very high97.8Very high156 Ų15671.3 Ų71.359%0.58934%0.336SS*.THydrogen-bonded Turntrans-53.5-31.6-17172.5-170.7177.5-83.45.2115.2A16 E17 K18 R23A16-R20 VanDerWaalsContact O-CA 3.32Å; A16-R20 WeakPolarHBondContact O-CA 3.29Å; A16-R20 WeakPolarHBondContact O-CB 3.48Å; A16-R20 PolarHBondContact O-N 3.23Å; E17-R20 WeakPolarHBondContact O-CB 3.43Å; E17-R20 VanDerWaalsContact O-CD 3.3Å; E17-R20 WeakPolarHBondContact O-CD 3.43Å; E17-R20 VanDerWaalsContact O-CG 3.25Å; E17-R20 WeakPolarHBondContact O-CG 3.42Å; E17-R20 PolarHBondContact O-N 2.9Å; E17-R20 PolarHBondContact O-NH1 3.38Å; K18-R20 PolarHBondContact O-N 3.42Å; R20-R23 PolarHBondContact O-NH1 3.47Å
21K98.1Very high97.8Very high171 Ų17169.2 Ų69.274%0.74333%0.331SS*.THydrogen-bonded Turntrans-97.3-10.1179.4-62-174-178.2175.50113.6H19H19-K21 PolarHBondContact O-N 3.05Å
22Q98.5Very high97.8Very high46 Ų4670.3 Ų70.322%0.21534%0.336CS..  trans-83.3146.1-177.9-167.8173.3-600110.3H19 Y32 D66H19-Q22 HydrophobicContact CB-CB 4.43Å; H19-Q22 PolarHBondContact CE1-OE1 2.98Å; H19-Q22 PolarHBondContact ND1-OE1 3.35Å; H19-Q22 PolarHBondContact O-N 3.19Å; Q22-Y32 HydrophobicContact CB-CG 4.13Å; Q22-Y32 HydrophobicContact CG-CD1 4.32Å; Q22-Y32 HydrophobicContact CG-CD2 3.71Å; Q22-Y32 HydrophobicContact CG-CE2 4.45Å; Q22-Y32 HydrophobicContact CG-CG 3.63Å; Q22-Y32 WeakPolarHBondContact O-CB 3.34Å; Q22-Y32 PolarHBondContact O-N 3.15Å; Q22-Y32 VanDerWaalsContact O-N 3.17Å; Q22-D66 PolarHBondContact NE2-OD2 2.7Å
23R98.3Very high97.8Very high111 Ų11169.4 Ų69.442%0.41933%0.329SS..BIsolated β-bridgetrans-128.4152176.1-60-57.7-176.4-99.32110.2R20 E29 T30R20-R23 PolarHBondContact O-NH1 3.47Å; R23-E29 HydrophobicContact CB-CB 4.09Å; R23-E29 VanDerWaalsContact CD-O 3.24Å; R23-E29 WeakPolarHBondContact CD-O 3.39Å; R23-E29 HydrophobicContact CG-CB 4.19Å; R23-T30 CarbonylContact C-O 3.56Å; R23-T30 WeakPolarHBondContact CA-O 3.18Å
24R98Very high97.8Very high27 Ų2769.3 Ų69.310%0.10233%0.329CS..  trans-69.4166.9166.7-65.7-66.1-71.4-162-5.8109.1D26 T30 Y32 H35 N126 D129R24-D26 WeakPolarHBondContact CB-OD1 3.12Å; R24-T30 WeakPolarHBondContact CB-O 3.43Å; R24-T30 PolarHBondContact N-O 2.81Å; R24-Y32 HydrophobicContact CG-CD2 4.31Å; R24-H35 PolarHBondContact NH1-CD2 3.38Å; R24-H35 PolarHBondContact NH1-ND1 3.33Å; R24-N126 PolarHBondContact NH1-OD1 2.84Å; R24-N126 PolarHBondContact NH2-OD1 2.67Å; R24-D129 IonicContact CZ-OD2 3.42Å; R24-D129 IonicContact NE-OD2 2.7Å; R24-D129 PolarHBondContact NE-OD2 3.44Å; R24-D129 IonicContact NH2-OD2 2.72Å; R24-D129 PolarHBondContact NH2-OD2 2.81Å
25K95.3Very high97.8Very high143 Ų14369 Ų6962%0.62233%0.327SS*.SBendtrans-98.58.4-173.6-65.2175.5-178.3162.70112.7P135 V136K25-P135 HydrophobicContact CB-CB 3.87Å; K25-P135 CarbonylContact O-C 3.54Å; K25-P135 WeakPolarHBondContact O-CA 3.27Å; K25-P135 WeakPolarHBondContact O-CB 3.42Å; K25-V136 PolarHBondContact O-N 2.92Å
26D95.4Very high97.8Very high16 Ų1669 Ų699%0.08633%0.327CS..SBendtrans-66.1158.3168.762.1-57.2000110.6R24 E28 E29 T30R24-D26 WeakPolarHBondContact CB-OD1 3.12Å; D26-E28 PolarHBondContact O-N 3.15Å; D26-E29 PolarHBondContact O-N 2.74Å; D26-T30 PolarHBondContact OD1-N 2.71Å; D26-T30 VanDerWaalsContact OD1-N 3.14Å; D26-T30 WeakPolarHBondContact OD2-CB 3.36Å; D26-T30 PolarHBondContact OD2-N 2.72Å; D26-T30 PolarHBondContact OD2-OG1 2.67Å
27P94Very high97.8Very high81 Ų8171 Ų7153%0.52633%0.332SS..THydrogen-bonded Turntrans-59.5-25.5-178.3-2636000115.2E29 C133 V136P27-E29 VanDerWaalsContact C-N 3.26Å; P27-C133 WeakPolarHBondContact CD-SG 3.2Å; P27-V136 HydrophobicContact CB-CG2 4.48Å; P27-V136 HydrophobicContact CG-CG2 4.38Å
28E96.5Very high97.9Very high170 Ų17066.5 Ų66.579%0.79431%0.314SS*.THydrogen-bonded Turntrans-83.7-3.9179.1-60.9-173.3-178.600112.7D26 T30D26-E28 PolarHBondContact O-N 3.15Å; E28-T30 VanDerWaalsContact C-N 3.34Å; E28-T30 PolarHBondContact O-N 3.39Å
29E96.8Very high97.9Very high133 Ų13364.8 Ų64.862%0.62131%0.307SS*.  trans49.356-173.3-60.3-171.998.800110.6R23 D26 P27R23-E29 HydrophobicContact CB-CB 4.09Å; R23-E29 VanDerWaalsContact CD-O 3.24Å; R23-E29 WeakPolarHBondContact CD-O 3.39Å; R23-E29 HydrophobicContact CG-CB 4.19Å; D26-E29 PolarHBondContact O-N 2.74Å; P27-E29 VanDerWaalsContact C-N 3.26Å
30T98.1Very high97.9Very high35 Ų3565.1 Ų65.122%0.21531%0.31CS..  trans-56.1137.6-178-66.50000110.6R23 R24 D26 E28 Y32 N34R23-T30 CarbonylContact C-O 3.56Å; R23-T30 WeakPolarHBondContact CA-O 3.18Å; R24-T30 WeakPolarHBondContact CB-O 3.43Å; R24-T30 PolarHBondContact N-O 2.81Å; D26-T30 PolarHBondContact OD1-N 2.71Å; D26-T30 VanDerWaalsContact OD1-N 3.14Å; D26-T30 WeakPolarHBondContact OD2-CB 3.36Å; D26-T30 PolarHBondContact OD2-N 2.72Å; D26-T30 PolarHBondContact OD2-OG1 2.67Å; E28-T30 VanDerWaalsContact C-N 3.34Å; E28-T30 PolarHBondContact O-N 3.39Å; T30-Y32 PolarHBondContact O-N 2.89Å; T30-N34 HydrophobicContact CG2-CB 3.95Å; T30-N34 WeakPolarHBondContact CG2-ND2 3.32Å
31P98.6Very high97.9Very high61 Ų6164 Ų6440%0.39631%0.306SS..BIsolated β-bridgetrans-52.7131.2175.5-28.336.2000112.4I33 N34P31-I33 HydrophobicContact CB-CG2 4.19Å; P31-I33 PolarHBondContact O-N 2.93Å; P31-I33 VanDerWaalsContact O-N 3.16Å; P31-N34 WeakPolarHBondContact O-CB 3.37Å; P31-N34 PolarHBondContact O-N 2.54Å; P31-N34 VanDerWaalsContact O-N 3.1Å; P31-N34 PolarHBondContact O-OD1 2.8Å
32Y98.7Very high97.9Very high23 Ų2356 Ų569%0.0927%0.272CS..THydrogen-bonded Turntrans-61.7-31.4-170.6-165.5-94.2000113.5H19 Q22 R24 T30 N34 H35 P36 D62H19-Y32 HydrophobicContact CB-CD1 4.23Å; H19-Y32 AromaticContact CE1-CD1 3.94Å; H19-Y32 AromaticContact CE1-CE1 3.93Å; H19-Y32 AromaticContact CG-CD1 3.81Å; H19-Y32 AromaticContact ND1-CD1 3.6Å; Q22-Y32 HydrophobicContact CB-CG 4.13Å; Q22-Y32 HydrophobicContact CG-CD1 4.32Å; Q22-Y32 HydrophobicContact CG-CD2 3.71Å; Q22-Y32 HydrophobicContact CG-CE2 4.45Å; Q22-Y32 HydrophobicContact CG-CG 3.63Å; Q22-Y32 WeakPolarHBondContact O-CB 3.34Å; Q22-Y32 PolarHBondContact O-N 3.15Å; Q22-Y32 VanDerWaalsContact O-N 3.17Å; R24-Y32 HydrophobicContact CG-CD2 4.31Å; T30-Y32 PolarHBondContact O-N 2.89Å; Y32-N34 PolarHBondContact O-N 2.66Å; Y32-H35 AromaticContact CZ-CD2 3.88Å; Y32-H35 WeakPolarHBondContact O-CB 3.27Å; Y32-H35 PolarHBondContact O-N 2.74Å; Y32-P36 HydrophobicContact CD1-CG 4.47Å; Y32-P36 HydrophobicContact CE1-CG 4.34Å; Y32-P36 WeakPolarHBondContact O-CD 3.46Å; Y32-D62 HydrophobicContact CE1-CB 3.97Å; Y32-D62 WeakPolarHBondContact CE1-OD2 3.26Å; Y32-D62 VanDerWaalsContact CZ-OD2 3.32Å; Y32-D62 PolarHBondContact OH-OD2 2.89Å
33I98.8Very high97.9Very high27 Ų2753.9 Ų53.914%0.13826%0.262CS..THydrogen-bonded Turntrans-54.2-24.6177.6-170.655.3000113.7A15 A16 P31 H35 P36 I37A15-I33 HydrophobicContact CB-CD1 3.7Å; A16-I33 HydrophobicContact CB-CD1 4.03Å; A16-I33 HydrophobicContact CB-CG1 3.83Å; P31-I33 HydrophobicContact CB-CG2 4.19Å; P31-I33 PolarHBondContact O-N 2.93Å; P31-I33 VanDerWaalsContact O-N 3.16Å; I33-H35 PolarHBondContact O-N 2.97Å; I33-P36 WeakPolarHBondContact O-CD 3.47Å; I33-I37 HydrophobicContact CD1-CD1 4.43Å; I33-I37 HydrophobicContact CD1-CG1 4.38Å; I33-I37 HydrophobicContact CG1-CD1 3.83Å; I33-I37 HydrophobicContact CG1-CG1 4.27Å; I33-I37 WeakPolarHBondContact O-CG1 3.4Å; I33-I37 PolarHBondContact O-N 3.3Å
34N98.8Very high98Very high72 Ų7250.6 Ų50.639%0.38526%0.256SS..Hα-helixtrans-61-30.1175-68.432.4000112.3T30 P31 Y32 G38 Y125T30-N34 HydrophobicContact CG2-CB 3.95Å; T30-N34 WeakPolarHBondContact CG2-ND2 3.32Å; P31-N34 WeakPolarHBondContact O-CB 3.37Å; P31-N34 PolarHBondContact O-N 2.54Å; P31-N34 VanDerWaalsContact O-N 3.1Å; P31-N34 PolarHBondContact O-OD1 2.8Å; Y32-N34 PolarHBondContact O-N 2.66Å; N34-G38 PolarHBondContact O-N 2.76Å; N34-Y125 PolarHBondContact O-OH 2.87Å
35H98.8Very high98Very high1 Ų157.8 Ų57.81%0.00528%0.284CS..Hα-helixtrans-70.6-59.3177.6165.774000112.6R24 Y32 I33 I37 G38 V39 H61 D62 D122 Y125R24-H35 PolarHBondContact NH1-CD2 3.38Å; R24-H35 PolarHBondContact NH1-ND1 3.33Å; Y32-H35 AromaticContact CZ-CD2 3.88Å; Y32-H35 WeakPolarHBondContact O-CB 3.27Å; Y32-H35 PolarHBondContact O-N 2.74Å; I33-H35 PolarHBondContact O-N 2.97Å; H35-I37 VanDerWaalsContact C-N 3.27Å; H35-I37 PolarHBondContact O-N 2.99Å; H35-G38 CarbonylContact O-C 3.49Å; H35-G38 WeakPolarHBondContact O-CA 3.49Å; H35-G38 PolarHBondContact O-N 2.87Å; H35-V39 VanDerWaalsContact CE1-CG2 3.44Å; H35-V39 WeakPolarHBondContact CE1-CG2 3.4Å; H35-V39 WeakPolarHBondContact O-CG2 3.37Å; H35-V39 PolarHBondContact O-N 3.02Å; H35-H61 AromaticContact CD2-CE1 3.6Å; H35-H61 AromaticContact CD2-NE2 3.74Å; H35-H61 AromaticContact CE1-NE2 3.92Å; H35-H61 AromaticContact NE2-CE1 3.21Å; H35-H61 PolarHBondContact NE2-CE1 2.91Å; H35-H61 AromaticContact NE2-NE2 2.98Å; H35-H61 PolarHBondContact NE2-NE2 3.36Å; H35-D62 IonicContact CD2-OD2 3.59Å; H35-D62 PolarHBondContact CD2-OD2 3.2Å; H35-D62 VanDerWaalsContact CD2-OD2 3.23Å; H35-D62 IonicContact NE2-OD2 2.75Å; H35-D62 PolarHBondContact NE2-OD2 3.23Å; H35-D122 IonicContact CE1-OD1 3.54Å; H35-D122 PolarHBondContact CE1-OD1 2.95Å; H35-D122 IonicContact NE2-OD1 3.55Å; H35-D122 PolarHBondContact NE2-OD1 3.12Å; H35-Y125 HydrophobicContact CB-CD1 4.5Å; H35-Y125 HydrophobicContact CB-CE1 3.98Å; H35-Y125 AromaticContact CE1-CD1 3.96Å; H35-Y125 AromaticContact ND1-CD1 3.11Å; H35-Y125 WeakPolarHBondContact ND1-CD1 3.49Å; H35-Y125 AromaticContact ND1-CE1 3.48Å; H35-Y125 WeakPolarHBondContact ND1-CE1 3.32Å; H35-Y125 AromaticContact ND1-CG 3.79Å
36P98.8Very high98.1Very high0 Ų052.8 Ų52.80%026%0.263CS..Hα-helixtrans-56.6-38.7177.5-25.733.9000113.6Y32 I33 G38 V39 A40 L59Y32-P36 HydrophobicContact CD1-CG 4.47Å; Y32-P36 HydrophobicContact CE1-CG 4.34Å; Y32-P36 WeakPolarHBondContact O-CD 3.46Å; I33-P36 WeakPolarHBondContact O-CD 3.47Å; P36-G38 VanDerWaalsContact C-N 3.33Å; P36-G38 PolarHBondContact O-N 3.12Å; P36-V39 PolarHBondContact O-N 2.9Å; P36-A40 PolarHBondContact O-N 3.03Å; P36-L59 VanDerWaalsContact CB-O 3.23Å; P36-L59 WeakPolarHBondContact CB-O 3.41Å
37I98.9Very high98.3Very high74 Ų7452.6 Ų52.638%0.37926%0.264SS..Hα-helixtrans-60-45.2172.7-68.4173.3000110.7V12 I33 H35 A40 R41 L59V12-I37 HydrophobicContact CG1-CD1 4.15Å; V12-I37 HydrophobicContact CG1-CG1 4.41Å; I33-I37 HydrophobicContact CD1-CD1 4.43Å; I33-I37 HydrophobicContact CD1-CG1 4.38Å; I33-I37 HydrophobicContact CG1-CD1 3.83Å; I33-I37 HydrophobicContact CG1-CG1 4.27Å; I33-I37 WeakPolarHBondContact O-CG1 3.4Å; I33-I37 PolarHBondContact O-N 3.3Å; H35-I37 VanDerWaalsContact C-N 3.27Å; H35-I37 PolarHBondContact O-N 2.99Å; I37-A40 PolarHBondContact O-N 2.75Å; I37-R41 VanDerWaalsContact O-CB 3.3Å; I37-R41 WeakPolarHBondContact O-CB 3.29Å; I37-R41 PolarHBondContact O-N 3.23Å; I37-L59 HydrophobicContact CG1-CD2 4.16Å
38G98.9Very high98.5Very high10 Ų1051.4 Ų51.410%0.10327%0.267CS..Hα-helixtrans-62.7-40.6177.800000113.8N34 H35 P36 R41 I42N34-G38 PolarHBondContact O-N 2.76Å; H35-G38 CarbonylContact O-C 3.49Å; H35-G38 WeakPolarHBondContact O-CA 3.49Å; H35-G38 PolarHBondContact O-N 2.87Å; P36-G38 VanDerWaalsContact C-N 3.33Å; P36-G38 PolarHBondContact O-N 3.12Å; G38-R41 PolarHBondContact O-N 3.03Å; G38-I42 WeakPolarHBondContact O-CG1 3.49Å; G38-I42 PolarHBondContact O-N 3.18Å
39V98.9Very high98.6Very high0 Ų044 Ų440%023%0.233CC..Hα-helixtrans-63.5-49.3175.6176.50000110.6H35 P36 R41 I42 L43 A58 A121 D122 Y125H35-V39 VanDerWaalsContact CE1-CG2 3.44Å; H35-V39 WeakPolarHBondContact CE1-CG2 3.4Å; H35-V39 WeakPolarHBondContact O-CG2 3.37Å; H35-V39 PolarHBondContact O-N 3.02Å; P36-V39 PolarHBondContact O-N 2.9Å; V39-R41 VanDerWaalsContact C-N 3.29Å; V39-R41 PolarHBondContact O-N 3.33Å; V39-I42 WeakPolarHBondContact O-CB 3.36Å; V39-I42 PolarHBondContact O-N 2.97Å; V39-L43 PolarHBondContact O-N 2.89Å; V39-A58 HydrophobicContact CG1-CB 4.13Å; V39-A121 HydrophobicContact CG1-CB 3.78Å; V39-D122 HydrophobicContact CG2-CB 4.47Å; V39-Y125 HydrophobicContact CG2-CG 4.28Å
40A98.9Very high98.7Very high11 Ų1143.3 Ų43.39%0.09124%0.238CC..Hα-helixtrans-62-36.5176.100000112.3P36 I37 L43 S44 A58 L59P36-A40 PolarHBondContact O-N 3.03Å; I37-A40 PolarHBondContact O-N 2.75Å; A40-L43 PolarHBondContact O-N 3.07Å; A40-S44 PolarHBondContact O-N 3.42Å; A40-S44 PolarHBondContact O-OG 3.33Å; A40-A58 HydrophobicContact CB-CB 4.05Å; A40-L59 HydrophobicContact CB-CD2 3.77Å; A40-L59 HydrophobicContact CB-CG 3.8Å
41R98.8Very high98.7Very high131 Ų13144.5 Ų44.549%0.49424%0.243SC..Hα-helixtrans-64.5-42.5173.5-173.8-175.2175.7-78.6-1.8112I37 G38 V39 L43 S44 Y45I37-R41 VanDerWaalsContact O-CB 3.3Å; I37-R41 WeakPolarHBondContact O-CB 3.29Å; I37-R41 PolarHBondContact O-N 3.23Å; G38-R41 PolarHBondContact O-N 3.03Å; V39-R41 VanDerWaalsContact C-N 3.29Å; V39-R41 PolarHBondContact O-N 3.33Å; R41-L43 VanDerWaalsContact C-N 3.33Å; R41-S44 WeakPolarHBondContact CA-OG 3.17Å; R41-S44 PolarHBondContact O-N 2.92Å; R41-S44 PolarHBondContact O-OG 3.08Å; R41-S44 VanDerWaalsContact O-OG 3.1Å; R41-Y45 HydrophobicContact CG-CD2 3.62Å; R41-Y45 HydrophobicContact CG-CE2 4.08Å; R41-Y45 HydrophobicContact CG-CG 4.33Å; R41-Y45 WeakPolarHBondContact O-CB 3.45Å; R41-Y45 PolarHBondContact O-N 3.02Å
42I98.9Very high98.7Very high5 Ų543 Ų433%0.02623%0.232CC..Hα-helixtrans-59.5-47.1175.6-76.6168.9000110G38 V39 S44 E46 G47 A121 L124 Y125 L164G38-I42 WeakPolarHBondContact O-CG1 3.49Å; G38-I42 PolarHBondContact O-N 3.18Å; V39-I42 WeakPolarHBondContact O-CB 3.36Å; V39-I42 PolarHBondContact O-N 2.97Å; I42-S44 PolarHBondContact O-N 3.41Å; I42-E46 CarbonylContact O-C 3.22Å; I42-E46 WeakPolarHBondContact O-CA 3.26Å; I42-E46 VanDerWaalsContact O-CB 3.3Å; I42-E46 WeakPolarHBondContact O-CB 3.25Å; I42-E46 PolarHBondContact O-N 3.32Å; I42-G47 PolarHBondContact O-N 2.97Å; I42-A121 HydrophobicContact CB-CB 4.3Å; I42-A121 HydrophobicContact CG2-CB 3.78Å; I42-L124 HydrophobicContact CD1-CG 4.41Å; I42-L124 HydrophobicContact CG2-CD2 3.92Å; I42-Y125 HydrophobicContact CD1-CD2 3.84Å; I42-Y125 HydrophobicContact CD1-CG 4.3Å; I42-L164 HydrophobicContact CG2-CD2 3.57Å
43L98.8Very high98.7Very high0 Ų044.7 Ų44.70%024%0.241CC..Hα-helixtrans-58.1-48.8178.7-72.9171.8000112.3V39 A40 R41 G47 G48 V49 V54 L55 A58 L117 V118 A121 L164V39-L43 PolarHBondContact O-N 2.89Å; A40-L43 PolarHBondContact O-N 3.07Å; R41-L43 VanDerWaalsContact C-N 3.33Å; L43-G47 CarbonylContact O-C 3.46Å; L43-G47 VanDerWaalsContact O-C 3.22Å; L43-G47 WeakPolarHBondContact O-CA 3.23Å; L43-G47 PolarHBondContact O-N 3.34Å; L43-G48 PolarHBondContact O-N 2.94Å; L43-V49 HydrophobicContact CB-CB 4.18Å; L43-V49 HydrophobicContact CB-CG2 4.31Å; L43-V49 HydrophobicContact CD2-CG2 4.17Å; L43-V49 WeakPolarHBondContact O-CB 3.48Å; L43-V49 PolarHBondContact O-N 3.24Å; L43-V54 HydrophobicContact CD1-CG1 4.2Å; L43-L55 HydrophobicContact CB-CD2 3.87Å; L43-A58 HydrophobicContact CD1-CB 3.41Å; L43-A58 VanDerWaalsContact CD1-CB 3.41Å; L43-L117 HydrophobicContact CD2-CB 3.92Å; L43-L117 WeakPolarHBondContact CD2-O 3.44Å; L43-V118 HydrophobicContact CD1-CG2 4.32Å; L43-A121 HydrophobicContact CD1-CB 4.28Å; L43-A121 HydrophobicContact CD2-CB 3.61Å; L43-A121 HydrophobicContact CG-CB 3.56Å; L43-L164 HydrophobicContact CD2-CD1 4Å
44S98.6Very high98.7Very high42 Ų4243.4 Ų43.429%0.29423%0.234SC..Hα-helixtrans-70.8-51.8-17848.30000113.4A40 R41 I42 G48 V49A40-S44 PolarHBondContact O-N 3.42Å; A40-S44 PolarHBondContact O-OG 3.33Å; R41-S44 WeakPolarHBondContact CA-OG 3.17Å; R41-S44 PolarHBondContact O-N 2.92Å; R41-S44 PolarHBondContact O-OG 3.08Å; R41-S44 VanDerWaalsContact O-OG 3.1Å; I42-S44 PolarHBondContact O-N 3.41Å; S44-G48 PolarHBondContact O-N 3.39Å; S44-V49 WeakPolarHBondContact CA-O 3.29Å
45Y98.6Very high98.7Very high178 Ų17840.8 Ų40.870%0.69822%0.22SC*.Hα-helixtrans-83.4-32.6-172.4-78.8-100000114R41R41-Y45 HydrophobicContact CG-CD2 3.62Å; R41-Y45 HydrophobicContact CG-CE2 4.08Å; R41-Y45 HydrophobicContact CG-CG 4.33Å; R41-Y45 WeakPolarHBondContact O-CB 3.45Å; R41-Y45 PolarHBondContact O-N 3.02Å
46E98.6Very high98.7Very high39 Ų3941.3 Ų41.318%0.18222%0.222CC..THydrogen-bonded Turntrans-109.9-35.1-173.8-60.4-172.8-114.400112.1I42 R128 A163 L164 K167I42-E46 CarbonylContact O-C 3.22Å; I42-E46 WeakPolarHBondContact O-CA 3.26Å; I42-E46 VanDerWaalsContact O-CB 3.3Å; I42-E46 WeakPolarHBondContact O-CB 3.25Å; I42-E46 PolarHBondContact O-N 3.32Å; E46-R128 IonicContact OE1-CZ 2.72Å; E46-R128 IonicContact OE1-NH1 2.99Å; E46-R128 PolarHBondContact OE1-NH1 3.46Å; E46-R128 IonicContact OE1-NH2 2.74Å; E46-R128 IonicContact OE2-CZ 3.54Å; E46-R128 IonicContact OE2-NH1 2.97Å; E46-R128 PolarHBondContact OE2-NH1 3.28Å; E46-R128 IonicContact OE2-NH2 2.67Å; E46-R128 PolarHBondContact OE2-NH2 3.14Å; E46-A163 WeakPolarHBondContact O-CB 3.45Å; E46-L164 HydrophobicContact CB-CD2 4.19Å; E46-K167 HydrophobicContact CB-CD 4.2Å; E46-K167 VanDerWaalsContact OE2-CD 3.25Å; E46-K167 WeakPolarHBondContact OE2-CD 3.5Å; E46-K167 VanDerWaalsContact OE2-CE 3.25Å; E46-K167 WeakPolarHBondContact OE2-CE 3.42Å; E46-K167 IonicContact OE2-NZ 3.86Å; E46-K167 PolarHBondContact OE2-NZ 3.22Å
47G98.3Very high98.7Very high11 Ų1141.3 Ų41.311%0.11322%0.222CC..SBendtrans-86.3-12.3175.500000114.3I42 L43 V49 N161I42-G47 PolarHBondContact O-N 2.97Å; L43-G47 CarbonylContact O-C 3.46Å; L43-G47 VanDerWaalsContact O-C 3.22Å; L43-G47 WeakPolarHBondContact O-CA 3.23Å; L43-G47 PolarHBondContact O-N 3.34Å; G47-V49 PolarHBondContact O-N 3.14Å; G47-N161 PolarHBondContact O-ND2 2.99Å
48G98.4Very high98.7Very high56 Ų5637.8 Ų37.858%0.57720%0.204SC*.  trans65.921.4-177.200000114.2L43 S44L43-G48 PolarHBondContact O-N 2.94Å; S44-G48 PolarHBondContact O-N 3.39Å
49V98.5Very high98.7Very high15 Ų1537.6 Ų37.69%0.09120%0.201CC..  trans-79.7122-177.3-179.70000110.1L43 S44 G47 D51 V54 L55 L117L43-V49 HydrophobicContact CB-CB 4.18Å; L43-V49 HydrophobicContact CB-CG2 4.31Å; L43-V49 HydrophobicContact CD2-CG2 4.17Å; L43-V49 WeakPolarHBondContact O-CB 3.48Å; L43-V49 PolarHBondContact O-N 3.24Å; S44-V49 WeakPolarHBondContact CA-O 3.29Å; G47-V49 PolarHBondContact O-N 3.14Å; V49-D51 HydrophobicContact CG1-CB 4.26Å; V49-V54 HydrophobicContact CG1-CB 4.1Å; V49-V54 HydrophobicContact CG1-CG1 3.92Å; V49-L55 HydrophobicContact CG1-CD2 4.42Å; V49-L117 HydrophobicContact CG2-CD1 4.09Å; V49-L117 HydrophobicContact CG2-CD2 4.11Å
50T98.3Very high98.7Very high119 Ų11937.6 Ų37.673%0.7320%0.201SC*.  trans-112.2-2.3175.662.30000113.1I52T50-I52 PolarHBondContact O-N 3.33Å
51D98.5Very high98.7Very high59 Ų5937.3 Ų37.332%0.31620%0.197SC..  trans-65.9114176.6-178.5-29.5000109.6V49 E53 V54 L55 Q114V49-D51 HydrophobicContact CG1-CB 4.26Å; D51-E53 VanDerWaalsContact C-N 3.3Å; D51-E53 PolarHBondContact O-N 3.1Å; D51-E53 PolarHBondContact OD1-N 3.04Å; D51-V54 HydrophobicContact CB-CB 4.14Å; D51-V54 HydrophobicContact CB-CG2 3.91Å; D51-V54 PolarHBondContact O-N 2.83Å; D51-V54 PolarHBondContact OD1-N 3.31Å; D51-L55 WeakPolarHBondContact O-CG 3.5Å; D51-L55 PolarHBondContact O-N 3.44Å; D51-L55 VanDerWaalsContact O-N 3.09Å; D51-Q114 PolarHBondContact OD2-NE2 3.05Å
52I98.3Very high98.7Very high31 Ų3131.7 Ų31.716%0.15918%0.177CC..Hα-helixtrans-60.8-38-175.8-172.359.1000112.3E4 L7 L8 T50 V54 L55 Q56E4-I52 HydrophobicContact CB-CD1 4.26Å; L7-I52 HydrophobicContact CB-CD1 4.25Å; L7-I52 HydrophobicContact CB-CG1 4.24Å; L7-I52 HydrophobicContact CD1-CG1 3.95Å; L8-I52 HydrophobicContact CD1-CD1 4.25Å; L8-I52 HydrophobicContact CD2-CD1 3.63Å; L8-I52 HydrophobicContact CG-CD1 3.58Å; T50-I52 PolarHBondContact O-N 3.33Å; I52-V54 VanDerWaalsContact C-N 3.34Å; I52-V54 PolarHBondContact O-N 3.32Å; I52-L55 PolarHBondContact O-N 3.27Å; I52-Q56 HydrophobicContact CD1-CG 4.4Å; I52-Q56 HydrophobicContact CG1-CG 4.39Å; I52-Q56 WeakPolarHBondContact O-CB 3.1Å; I52-Q56 VanDerWaalsContact O-CG 3.27Å; I52-Q56 WeakPolarHBondContact O-CG 3.45Å; I52-Q56 PolarHBondContact O-N 2.93Å
53E98.6Very high98.7Very high58 Ų5831.5 Ų31.527%0.27118%0.176SC..Hα-helixtrans-70.5-35.8-176.8-59176136.800110.6D51 A57 I81 V82 I85D51-E53 VanDerWaalsContact C-N 3.3Å; D51-E53 PolarHBondContact O-N 3.1Å; D51-E53 PolarHBondContact OD1-N 3.04Å; E53-A57 VanDerWaalsContact O-CB 3.29Å; E53-A57 WeakPolarHBondContact O-CB 3.34Å; E53-A57 PolarHBondContact O-N 3.27Å; E53-I81 HydrophobicContact CB-CG2 4.1Å; E53-I81 HydrophobicContact CG-CG2 4.35Å; E53-I81 WeakPolarHBondContact OE1-CB 3.42Å; E53-I81 WeakPolarHBondContact OE1-CD1 3.17Å; E53-I81 WeakPolarHBondContact OE2-CG2 3.42Å; E53-V82 HydrophobicContact CB-CG2 4Å; E53-V82 HydrophobicContact CG-CG2 4.32Å; E53-I85 HydrophobicContact CB-CD1 4.46Å
54V98.9Very high98.6Very high0 Ų032.9 Ų32.90%019%0.185CC..Hα-helixtrans-67.2-41.9173.8178.60000111.2L43 V49 D51 I52 A57 A58 I85 Q114 L117 V118L43-V54 HydrophobicContact CD1-CG1 4.2Å; V49-V54 HydrophobicContact CG1-CB 4.1Å; V49-V54 HydrophobicContact CG1-CG1 3.92Å; D51-V54 HydrophobicContact CB-CB 4.14Å; D51-V54 HydrophobicContact CB-CG2 3.91Å; D51-V54 PolarHBondContact O-N 2.83Å; D51-V54 PolarHBondContact OD1-N 3.31Å; I52-V54 VanDerWaalsContact C-N 3.34Å; I52-V54 PolarHBondContact O-N 3.32Å; V54-A57 PolarHBondContact O-N 2.91Å; V54-A58 WeakPolarHBondContact O-CB 3.25Å; V54-A58 PolarHBondContact O-N 2.98Å; V54-I85 HydrophobicContact CG2-CD1 4.49Å; V54-Q114 HydrophobicContact CG2-CB 3.81Å; V54-Q114 HydrophobicContact CG2-CG 3.63Å; V54-L117 HydrophobicContact CG1-CB 4.25Å; V54-L117 HydrophobicContact CG1-CD1 4.23Å; V54-V118 HydrophobicContact CG1-CG2 4.19Å
55L98.9Very high98.5Very high17 Ų1732.3 Ų32.39%0.08918%0.177CC..Hα-helixtrans-67.6-39.1177.5-65.1178000111.7L8 L43 V49 D51 I52 A58 L59L8-L55 HydrophobicContact CD2-CB 4.01Å; L43-L55 HydrophobicContact CB-CD2 3.87Å; V49-L55 HydrophobicContact CG1-CD2 4.42Å; D51-L55 WeakPolarHBondContact O-CG 3.5Å; D51-L55 PolarHBondContact O-N 3.44Å; D51-L55 VanDerWaalsContact O-N 3.09Å; I52-L55 PolarHBondContact O-N 3.27Å; L55-A58 PolarHBondContact O-N 3.28Å; L55-L59 WeakPolarHBondContact O-CG 3.48Å; L55-L59 PolarHBondContact O-N 2.97Å; L55-L59 VanDerWaalsContact O-N 3.15Å
56Q98.9Very high98.4Very high12 Ų1226.5 Ų26.56%0.05616%0.159CC..Hα-helixtrans-63.2-47.5172.6-71.1-178.4-77.600111.2L8 T11 I52 A58 L59 L60 V82L8-Q56 HydrophobicContact CD2-CG 4.46Å; T11-Q56 HydrophobicContact CG2-CB 4.01Å; T11-Q56 HydrophobicContact CG2-CG 4.17Å; T11-Q56 WeakPolarHBondContact OG1-CG 3.15Å; T11-Q56 PolarHBondContact OG1-NE2 3.21Å; I52-Q56 HydrophobicContact CD1-CG 4.4Å; I52-Q56 HydrophobicContact CG1-CG 4.39Å; I52-Q56 WeakPolarHBondContact O-CB 3.1Å; I52-Q56 VanDerWaalsContact O-CG 3.27Å; I52-Q56 WeakPolarHBondContact O-CG 3.45Å; I52-Q56 PolarHBondContact O-N 2.93Å; Q56-A58 VanDerWaalsContact C-N 3.27Å; Q56-A58 PolarHBondContact O-N 2.9Å; Q56-L59 WeakPolarHBondContact O-CB 3.3Å; Q56-L59 PolarHBondContact O-N 2.87Å; Q56-L59 VanDerWaalsContact O-N 3.08Å; Q56-L60 VanDerWaalsContact O-CG 3.29Å; Q56-L60 WeakPolarHBondContact O-CG 3.4Å; Q56-L60 PolarHBondContact O-N 3.41Å; Q56-V82 HydrophobicContact CB-CG1 4.17Å; Q56-V82 HydrophobicContact CB-CG2 4.06Å
57A98.9Very high98.4Very high0 Ų026.3 Ų26.30%016%0.16CC..Hα-helixtrans-60.4-36.6177.400000112.3E53 V54 L59 L60 H61 V82 I85 V86E53-A57 VanDerWaalsContact O-CB 3.29Å; E53-A57 WeakPolarHBondContact O-CB 3.34Å; E53-A57 PolarHBondContact O-N 3.27Å; V54-A57 PolarHBondContact O-N 2.91Å; A57-L59 PolarHBondContact O-N 3.46Å; A57-L60 CarbonylContact O-C 3.59Å; A57-L60 PolarHBondContact O-N 2.97Å; A57-L60 VanDerWaalsContact O-N 3.16Å; A57-H61 WeakPolarHBondContact O-CA 3.41Å; A57-H61 WeakPolarHBondContact O-CB 3.32Å; A57-H61 PolarHBondContact O-N 2.99Å; A57-V82 HydrophobicContact CB-CG1 4.43Å; A57-I85 HydrophobicContact CB-CB 3.68Å; A57-I85 HydrophobicContact CB-CD1 4.22Å; A57-I85 HydrophobicContact CB-CG2 3.43Å; A57-I85 VanDerWaalsContact CB-CG2 3.43Å; A57-V86 HydrophobicContact CB-CG2 4.07Å
58A98.9Very high98.4Very high0 Ų031.4 Ų31.40%018%0.184CC..Hα-helixtrans-64.4-37.1174.200000113.3V39 A40 L43 V54 L55 Q56 L60 H61 V118V39-A58 HydrophobicContact CG1-CB 4.13Å; A40-A58 HydrophobicContact CB-CB 4.05Å; L43-A58 HydrophobicContact CD1-CB 3.41Å; L43-A58 VanDerWaalsContact CD1-CB 3.41Å; V54-A58 WeakPolarHBondContact O-CB 3.25Å; V54-A58 PolarHBondContact O-N 2.98Å; L55-A58 PolarHBondContact O-N 3.28Å; Q56-A58 VanDerWaalsContact C-N 3.27Å; Q56-A58 PolarHBondContact O-N 2.9Å; A58-L60 VanDerWaalsContact C-N 3.26Å; A58-L60 PolarHBondContact O-N 2.94Å; A58-H61 PolarHBondContact O-ND1 3.23Å; A58-V118 HydrophobicContact CB-CG1 4.48Å; A58-V118 HydrophobicContact CB-CG2 4.27Å
59L98.9Very high98.4Very high5 Ų529 Ų293%0.02616%0.159CC..Hα-helixtrans-69.5-26173.7-70.4167.5000112.5L8 T11 V12 A15 P36 I37 A40 L55 Q56 A57L8-L59 HydrophobicContact CD2-CD1 4.05Å; T11-L59 HydrophobicContact CG2-CB 3.78Å; T11-L59 HydrophobicContact CG2-CD1 3.94Å; V12-L59 HydrophobicContact CG2-CD1 3.57Å; V12-L59 HydrophobicContact CG2-CD2 3.79Å; V12-L59 HydrophobicContact CG2-CG 4.3Å; A15-L59 VanDerWaalsContact CB-O 3.3Å; A15-L59 WeakPolarHBondContact CB-O 3.13Å; P36-L59 VanDerWaalsContact CB-O 3.23Å; P36-L59 WeakPolarHBondContact CB-O 3.41Å; I37-L59 HydrophobicContact CG1-CD2 4.16Å; A40-L59 HydrophobicContact CB-CD2 3.77Å; A40-L59 HydrophobicContact CB-CG 3.8Å; L55-L59 WeakPolarHBondContact O-CG 3.48Å; L55-L59 PolarHBondContact O-N 2.97Å; L55-L59 VanDerWaalsContact O-N 3.15Å; Q56-L59 WeakPolarHBondContact O-CB 3.3Å; Q56-L59 PolarHBondContact O-N 2.87Å; Q56-L59 VanDerWaalsContact O-N 3.08Å; A57-L59 PolarHBondContact O-N 3.46Å
60L98.9Very high98.3Very high0 Ų031.2 Ų31.20%017%0.173CC..Hα-helixtrans-103.7-5.2-174.3-63.1171.1000114.1T11 F14 A15 Q56 A57 A58 D62 T63 L74 F78 V82 V86T11-L60 HydrophobicContact CG2-CD1 3.71Å; T11-L60 HydrophobicContact CG2-CD2 3.83Å; T11-L60 HydrophobicContact CG2-CG 3.52Å; F14-L60 HydrophobicContact CD1-CD2 3.5Å; F14-L60 VanDerWaalsContact CD1-CD2 3.5Å; F14-L60 HydrophobicContact CE1-CD2 4.04Å; F14-L60 HydrophobicContact CG-CD2 4.49Å; A15-L60 HydrophobicContact CB-CD2 4.35Å; Q56-L60 VanDerWaalsContact O-CG 3.29Å; Q56-L60 WeakPolarHBondContact O-CG 3.4Å; Q56-L60 PolarHBondContact O-N 3.41Å; A57-L60 CarbonylContact O-C 3.59Å; A57-L60 PolarHBondContact O-N 2.97Å; A57-L60 VanDerWaalsContact O-N 3.16Å; A58-L60 VanDerWaalsContact C-N 3.26Å; A58-L60 PolarHBondContact O-N 2.94Å; L60-D62 PolarHBondContact O-N 3.47Å; L60-T63 HydrophobicContact CB-CG2 4.44Å; L60-T63 HydrophobicContact CD2-CG2 4.07Å; L60-T63 WeakPolarHBondContact O-CB 3.38Å; L60-T63 WeakPolarHBondContact O-CG2 3.48Å; L60-T63 PolarHBondContact O-N 3.43Å; L60-T63 PolarHBondContact O-OG1 2.94Å; L60-L74 HydrophobicContact CD1-CD2 4.21Å; L60-L74 HydrophobicContact CD2-CD2 4.45Å; L60-F78 HydrophobicContact CD1-CD1 4.28Å; L60-F78 HydrophobicContact CD1-CD2 3.74Å; L60-F78 HydrophobicContact CD1-CE1 4.47Å; L60-F78 HydrophobicContact CD1-CE2 3.95Å; L60-F78 HydrophobicContact CD1-CG 3.92Å; L60-F78 HydrophobicContact CD1-CZ 4.31Å; L60-F78 HydrophobicContact CD2-CE2 4.24Å; L60-F78 HydrophobicContact CD2-CZ 4.34Å; L60-V82 HydrophobicContact CD1-CG1 3.66Å; L60-V86 HydrophobicContact CB-CG2 3.81Å
61H98.8Very high98.3Very high5 Ų527.5 Ų27.52%0.02315%0.15CC..THydrogen-bonded Turntrans-56.3-31.4-163.373.2-78.1000115.1H35 A57 A58 V89 V118 D122H35-H61 AromaticContact CD2-CE1 3.6Å; H35-H61 AromaticContact CD2-NE2 3.74Å; H35-H61 AromaticContact CE1-NE2 3.92Å; H35-H61 AromaticContact NE2-CE1 3.21Å; H35-H61 PolarHBondContact NE2-CE1 2.91Å; H35-H61 AromaticContact NE2-NE2 2.98Å; H35-H61 PolarHBondContact NE2-NE2 3.36Å; A57-H61 WeakPolarHBondContact O-CA 3.41Å; A57-H61 WeakPolarHBondContact O-CB 3.32Å; A57-H61 PolarHBondContact O-N 2.99Å; A58-H61 PolarHBondContact O-ND1 3.23Å; H61-V89 HydrophobicContact CB-CG2 3.7Å; H61-V118 HydrophobicContact CB-CG1 3.89Å; H61-D122 IonicContact NE2-OD1 2.67Å
62D98.6Very high98.3Very high14 Ų1430.2 Ų30.28%0.07516%0.161CC..THydrogen-bonded Turntrans-96.9-2.8179.2-71.2-32.8000113.8Y32 H35 L60 E65 D66Y32-D62 HydrophobicContact CE1-CB 3.97Å; Y32-D62 WeakPolarHBondContact CE1-OD2 3.26Å; Y32-D62 VanDerWaalsContact CZ-OD2 3.32Å; Y32-D62 PolarHBondContact OH-OD2 2.89Å; H35-D62 IonicContact CD2-OD2 3.59Å; H35-D62 PolarHBondContact CD2-OD2 3.2Å; H35-D62 VanDerWaalsContact CD2-OD2 3.23Å; H35-D62 IonicContact NE2-OD2 2.75Å; H35-D62 PolarHBondContact NE2-OD2 3.23Å; L60-D62 PolarHBondContact O-N 3.47Å; D62-E65 PolarHBondContact O-N 3.48Å; D62-D66 WeakPolarHBondContact O-CB 3.46Å; D62-D66 PolarHBondContact O-N 2.98Å
63T98.6Very high98.3Very high0 Ų031.2 Ų31.20%017%0.165CC..Hα-helixtrans-65.8-44.5-172.956.30000111.6F14 K18 L60 T67F14-T63 HydrophobicContact CE1-CG2 4.48Å; K18-T63 HydrophobicContact CB-CG2 4.42Å; L60-T63 HydrophobicContact CB-CG2 4.44Å; L60-T63 HydrophobicContact CD2-CG2 4.07Å; L60-T63 WeakPolarHBondContact O-CB 3.38Å; L60-T63 WeakPolarHBondContact O-CG2 3.48Å; L60-T63 PolarHBondContact O-N 3.43Å; L60-T63 PolarHBondContact O-OG1 2.94Å; T63-T67 VanDerWaalsContact O-CB 3.32Å; T63-T67 WeakPolarHBondContact O-CB 3.49Å; T63-T67 PolarHBondContact O-N 3.44Å; T63-T67 VanDerWaalsContact O-N 3.15Å; T63-T67 PolarHBondContact O-OG1 2.99Å
64V98.2Very high98.3Very high29 Ų2928.4 Ų28.418%0.17615%0.152CC..Hα-helixtrans-71.1-35.3176-178.30000111.2T69 P71 L74 V86 T90V64-T69 HydrophobicContact CG2-CG2 4.23Å; V64-P71 HydrophobicContact CG1-CG 4.27Å; V64-L74 HydrophobicContact CG2-CD1 3.56Å; V64-L74 HydrophobicContact CG2-CG 4.33Å; V64-V86 HydrophobicContact CB-CG1 4.5Å; V64-V86 HydrophobicContact CG2-CG1 3.94Å; V64-T90 HydrophobicContact CB-CG2 4.19Å; V64-T90 HydrophobicContact CG1-CG2 3.98Å
65E96.6Very high98.2Very high31 Ų3133.4 Ų33.415%0.14518%0.175CC..Hα-helixtrans-71.2-41.4-177.3-173.7170.3150.600112.8D62 T90 D91 K93 R100D62-E65 PolarHBondContact O-N 3.48Å; E65-T90 HydrophobicContact CB-CG2 4.09Å; E65-D91 VanDerWaalsContact OE2-CB 3.32Å; E65-D91 WeakPolarHBondContact OE2-CB 3.3Å; E65-D91 PolarHBondContact OE2-N 2.95Å; E65-K93 HydrophobicContact CG-CD 3.69Å; E65-K93 VanDerWaalsContact CG-CE 3.5Å; E65-K93 HydrophobicContact CG-CG 3.84Å; E65-K93 VanDerWaalsContact O-CE 3.26Å; E65-K93 WeakPolarHBondContact O-CE 3.33Å; E65-K93 WeakPolarHBondContact O-CG 3.4Å; E65-K93 IonicContact OE1-NZ 2.84Å; E65-K93 PolarHBondContact OE1-NZ 3.34Å; E65-R100 IonicContact OE1-NH1 2.77Å; E65-R100 PolarHBondContact OE1-NH1 3.3Å
66D96.7Very high98.2Very high56 Ų5639.5 Ų39.530%0.29921%0.208SC..Hα-helixtrans-117.3-0.6-165.6-76.4-22.2000114.7Q22 D62 K93Q22-D66 PolarHBondContact NE2-OD2 2.7Å; D62-D66 WeakPolarHBondContact O-CB 3.46Å; D62-D66 PolarHBondContact O-N 2.98Å; D66-K93 VanDerWaalsContact OD1-CE 3.27Å; D66-K93 WeakPolarHBondContact OD1-CE 3.4Å; D66-K93 IonicContact OD1-NZ 3.61Å; D66-K93 PolarHBondContact OD1-NZ 3.45Å
67T97.8Very high98.1Very high35 Ų3544.5 Ų44.522%0.21523%0.229CC..SBendtrans-130.2-168.2-176.784.50000112.1K18 H19 T63 T69K18-T67 HydrophobicContact CB-CG2 4.03Å; H19-T67 VanDerWaalsContact CE1-CG2 3.4Å; H19-T67 WeakPolarHBondContact CE1-CG2 3.27Å; H19-T67 WeakPolarHBondContact ND1-CG2 3.29Å; T63-T67 VanDerWaalsContact O-CB 3.32Å; T63-T67 WeakPolarHBondContact O-CB 3.49Å; T63-T67 PolarHBondContact O-N 3.44Å; T63-T67 VanDerWaalsContact O-N 3.15Å; T63-T67 PolarHBondContact O-OG1 2.99Å; T67-T69 VanDerWaalsContact C-N 3.29Å; T67-T69 PolarHBondContact OG1-N 3.48Å; T67-T69 PolarHBondContact OG1-OG1 3.48Å
68D97.4Very high98.1Very high117 Ų11745.7 Ų45.763%0.62624%0.235SC*.SBendtrans-89.27176.163.5-1.1000113.4K18K18-D68 WeakPolarHBondContact CD-OD1 3.41Å; K18-D68 IonicContact NZ-OD1 3.23Å; K18-D68 PolarHBondContact NZ-OD1 2.85Å
69T98.4Very high98.1Very high7 Ų746.8 Ų46.84%0.04325%0.246CC..  trans-65.9135.9177.8-51.80000111.4F14 K18 V64 T67 E73 L74F14-T69 HydrophobicContact CE1-CG2 4.04Å; F14-T69 HydrophobicContact CZ-CG2 3.94Å; K18-T69 WeakPolarHBondContact CD-OG1 3.37Å; K18-T69 WeakPolarHBondContact CE-OG1 3.43Å; K18-T69 WeakPolarHBondContact CG-OG1 3.46Å; K18-T69 PolarHBondContact NZ-OG1 3.07Å; V64-T69 HydrophobicContact CG2-CG2 4.23Å; T67-T69 VanDerWaalsContact C-N 3.29Å; T67-T69 PolarHBondContact OG1-N 3.48Å; T67-T69 PolarHBondContact OG1-OG1 3.48Å; T69-E73 WeakPolarHBondContact CA-OE2 3.46Å; T69-L74 HydrophobicContact CG2-CD1 4.35Å; T69-L74 HydrophobicContact CG2-CD2 3.67Å; T69-L74 HydrophobicContact CG2-CG 3.75Å
70T98.1Very high98.1Very high61 Ų6150.4 Ų50.437%0.37427%0.27SS..  trans-105.9157.1172.983.20000111.7E72 E73 L74T70-E72 WeakPolarHBondContact CB-OE2 3.44Å; T70-E72 PolarHBondContact O-N 3.25Å; T70-E72 PolarHBondContact OG1-N 2.99Å; T70-E72 PolarHBondContact OG1-OE2 2.83Å; T70-E73 WeakPolarHBondContact O-CB 3.36Å; T70-E73 PolarHBondContact O-N 2.55Å; T70-E73 PolarHBondContact OG1-N 2.66Å; T70-L74 PolarHBondContact O-N 3.06Å
71P96.9Very high98Very high40 Ų4053 Ų5326%0.2628%0.283SS..Hα-helixtrans-56.5-37.1173.8-25.936000113.2V64 L74 E75V64-P71 HydrophobicContact CG1-CG 4.27Å; P71-L74 PolarHBondContact O-N 2.98Å; P71-E75 PolarHBondContact O-N 3.32Å
72E98.1Very high98Very high117 Ų11752.8 Ų52.855%0.54728%0.282SS..Hα-helixtrans-66.3-40.5178.3-5675.4-164.400111.4T70 L74 E75 D76T70-E72 WeakPolarHBondContact CB-OE2 3.44Å; T70-E72 PolarHBondContact O-N 3.25Å; T70-E72 PolarHBondContact OG1-N 2.99Å; T70-E72 PolarHBondContact OG1-OE2 2.83Å; E72-L74 VanDerWaalsContact C-N 3.25Å; E72-L74 PolarHBondContact O-N 3Å; E72-E75 PolarHBondContact O-N 3.36Å; E72-D76 WeakPolarHBondContact O-CB 3.23Å; E72-D76 PolarHBondContact O-N 2.83Å
73E98.4Very high98Very high51 Ų5152.6 Ų52.624%0.23828%0.282CS..Hα-helixtrans-59.6-38.8174.1179.6178.4-165.900111.3F14 K18 T69 T70 K77F14-E73 HydrophobicContact CE2-CG 4.36Å; F14-E73 WeakPolarHBondContact CE2-OE1 3.27Å; F14-E73 HydrophobicContact CZ-CG 4.19Å; K18-E73 WeakPolarHBondContact CE-OE1 3.47Å; K18-E73 IonicContact NZ-OE1 2.93Å; K18-E73 PolarHBondContact NZ-OE1 3.39Å; K18-E73 IonicContact NZ-OE2 3.67Å; K18-E73 PolarHBondContact NZ-OE2 3.23Å; T69-E73 WeakPolarHBondContact CA-OE2 3.46Å; T70-E73 WeakPolarHBondContact O-CB 3.36Å; T70-E73 PolarHBondContact O-N 2.55Å; T70-E73 PolarHBondContact OG1-N 2.66Å; E73-K77 HydrophobicContact CG-CD 3.93Å; E73-K77 WeakPolarHBondContact O-CB 3.43Å; E73-K77 WeakPolarHBondContact O-CG 3.4Å; E73-K77 PolarHBondContact O-N 3.3Å
74L98.4Very high98Very high0 Ų058.4 Ų58.40%030%0.304CS..Hα-helixtrans-70.2-41176.6-66.9-172.5000112.5F14 L60 V64 T69 T70 P71 E72 K77 F78 G79 A83 V86F14-L74 HydrophobicContact CE1-CD2 3.8Å; F14-L74 HydrophobicContact CZ-CD2 4.15Å; L60-L74 HydrophobicContact CD1-CD2 4.21Å; L60-L74 HydrophobicContact CD2-CD2 4.45Å; V64-L74 HydrophobicContact CG2-CD1 3.56Å; V64-L74 HydrophobicContact CG2-CG 4.33Å; T69-L74 HydrophobicContact CG2-CD1 4.35Å; T69-L74 HydrophobicContact CG2-CD2 3.67Å; T69-L74 HydrophobicContact CG2-CG 3.75Å; T70-L74 PolarHBondContact O-N 3.06Å; P71-L74 PolarHBondContact O-N 2.98Å; E72-L74 VanDerWaalsContact C-N 3.25Å; E72-L74 PolarHBondContact O-N 3Å; L74-K77 PolarHBondContact O-N 3.47Å; L74-F78 HydrophobicContact CD2-CD2 3.76Å; L74-F78 HydrophobicContact CD2-CE2 3.84Å; L74-F78 WeakPolarHBondContact O-CA 3.41Å; L74-F78 WeakPolarHBondContact O-CB 3.42Å; L74-F78 PolarHBondContact O-N 3.21Å; L74-G79 PolarHBondContact O-N 2.75Å; L74-A83 HydrophobicContact CB-CB 4.05Å; L74-V86 HydrophobicContact CD1-CB 3.87Å; L74-V86 HydrophobicContact CD1-CG1 3.57Å; L74-V86 HydrophobicContact CD1-CG2 4.08Å
75E98.1Very high98.1Very high105 Ų10557 Ų5749%0.49130%0.296SS..Hα-helixtrans-63.6-43.6178.1-176.4167.6-179.500111.2P71 E72 K77 G79 P80 A83P71-E75 PolarHBondContact O-N 3.32Å; E72-E75 PolarHBondContact O-N 3.36Å; E75-K77 PolarHBondContact O-N 3.16Å; E75-G79 WeakPolarHBondContact O-CA 3.39Å; E75-G79 PolarHBondContact O-N 3.06Å; E75-P80 HydrophobicContact CG-CB 4.22Å; E75-A83 HydrophobicContact CB-CB 3.89Å
76D98.1Very high98.2Very high144 Ų14455.5 Ų55.577%0.7729%0.289SS*.Hα-helixtrans-64.6-37.1178.6-77.2-17000112.7E72E72-D76 WeakPolarHBondContact O-CB 3.23Å; E72-D76 PolarHBondContact O-N 2.83Å
77K97.9Very high98.2Very high117 Ų11757.4 Ų57.451%0.50930%0.296SS..Hα-helixtrans-90.5-39.8-174.9-73.9174.8171.6-78.10114.2F14 E73 L74 E75F14-K77 HydrophobicContact CD2-CD 3.99Å; F14-K77 HydrophobicContact CE2-CD 3.56Å; F14-K77 HydrophobicContact CZ-CD 4.33Å; E73-K77 HydrophobicContact CG-CD 3.93Å; E73-K77 WeakPolarHBondContact O-CB 3.43Å; E73-K77 WeakPolarHBondContact O-CG 3.4Å; E73-K77 PolarHBondContact O-N 3.3Å; L74-K77 PolarHBondContact O-N 3.47Å; E75-K77 PolarHBondContact O-N 3.16Å
78F98.2Very high98.2Very high25 Ų2558.2 Ų58.211%0.1130%0.297CS..Hα-helixtrans-120.1-4.8-169.4-54.5-75.1000113E10 T11 F14 L60 L74 V82E10-F78 HydrophobicContact CG-CE1 4.46Å; T11-F78 HydrophobicContact CG2-CE1 4.24Å; F14-F78 HydrophobicContact CB-CE2 4.47Å; F14-F78 HydrophobicContact CB-CZ 3.74Å; F14-F78 AromaticContact CD1-CE2 3.88Å; F14-F78 HydrophobicContact CD1-CE2 3.88Å; F14-F78 AromaticContact CD1-CZ 3.97Å; F14-F78 HydrophobicContact CD1-CZ 3.97Å; F14-F78 HydrophobicContact CD2-CE2 4.2Å; F14-F78 HydrophobicContact CD2-CZ 4.11Å; F14-F78 HydrophobicContact CE1-CE2 4.08Å; F14-F78 HydrophobicContact CE2-CE2 4.4Å; F14-F78 AromaticContact CG-CE2 3.92Å; F14-F78 HydrophobicContact CG-CE2 3.92Å; F14-F78 AromaticContact CG-CZ 3.67Å; F14-F78 HydrophobicContact CG-CZ 3.67Å; F14-F78 HydrophobicContact CZ-CE2 4.32Å; L60-F78 HydrophobicContact CD1-CD1 4.28Å; L60-F78 HydrophobicContact CD1-CD2 3.74Å; L60-F78 HydrophobicContact CD1-CE1 4.47Å; L60-F78 HydrophobicContact CD1-CE2 3.95Å; L60-F78 HydrophobicContact CD1-CG 3.92Å; L60-F78 HydrophobicContact CD1-CZ 4.31Å; L60-F78 HydrophobicContact CD2-CE2 4.24Å; L60-F78 HydrophobicContact CD2-CZ 4.34Å; L74-F78 HydrophobicContact CD2-CD2 3.76Å; L74-F78 HydrophobicContact CD2-CE2 3.84Å; L74-F78 WeakPolarHBondContact O-CA 3.41Å; L74-F78 WeakPolarHBondContact O-CB 3.42Å; L74-F78 PolarHBondContact O-N 3.21Å; F78-V82 HydrophobicContact CB-CB 3.88Å; F78-V82 HydrophobicContact CB-CG1 3.81Å; F78-V82 HydrophobicContact CB-CG2 4.25Å
79G98.4Very high98.3Very high23 Ų2353.3 Ų53.324%0.23727%0.272CS..  trans88.3166177.700000114L74 E75 I81 V82 A83L74-G79 PolarHBondContact O-N 2.75Å; E75-G79 WeakPolarHBondContact O-CA 3.39Å; E75-G79 PolarHBondContact O-N 3.06Å; G79-I81 VanDerWaalsContact C-N 3.3Å; G79-I81 PolarHBondContact O-N 3.08Å; G79-V82 PolarHBondContact O-N 3.15Å; G79-A83 PolarHBondContact O-N 3.49Å; G79-A83 VanDerWaalsContact O-N 3.14Å
80P98.4Very high98.2Very high81 Ų8154.2 Ų54.253%0.52628%0.277SS..Hα-helixtrans-68.2-26.6-17025.8-35.5000113.5E75 R84E75-P80 HydrophobicContact CG-CB 4.22Å; P80-R84 VanDerWaalsContact O-CB 3.22Å; P80-R84 WeakPolarHBondContact O-CB 3.37Å; P80-R84 PolarHBondContact O-N 3.4Å
81I98.6Very high98.1Very high54 Ų5452.3 Ų52.328%0.27727%0.265SS..Hα-helixtrans-72.4-47.8-179.4-63.7167000110.4E53 G79 R84 I85E53-I81 HydrophobicContact CB-CG2 4.1Å; E53-I81 HydrophobicContact CG-CG2 4.35Å; E53-I81 WeakPolarHBondContact OE1-CB 3.42Å; E53-I81 WeakPolarHBondContact OE1-CD1 3.17Å; E53-I81 WeakPolarHBondContact OE2-CG2 3.42Å; G79-I81 VanDerWaalsContact C-N 3.3Å; G79-I81 PolarHBondContact O-N 3.08Å; I81-R84 PolarHBondContact O-N 2.96Å; I81-I85 HydrophobicContact CG2-CD1 3.98Å; I81-I85 VanDerWaalsContact O-CG1 3.29Å; I81-I85 WeakPolarHBondContact O-CG1 3.47Å; I81-I85 PolarHBondContact O-N 3.42Å
82V98.8Very high97.9Very high1 Ų154.7 Ų54.71%0.00628%0.275CS..Hα-helixtrans-61-48.1175.9177.50000110.3E53 Q56 A57 L60 F78 G79 R84 I85 V86E53-V82 HydrophobicContact CB-CG2 4Å; E53-V82 HydrophobicContact CG-CG2 4.32Å; Q56-V82 HydrophobicContact CB-CG1 4.17Å; Q56-V82 HydrophobicContact CB-CG2 4.06Å; A57-V82 HydrophobicContact CB-CG1 4.43Å; L60-V82 HydrophobicContact CD1-CG1 3.66Å; F78-V82 HydrophobicContact CB-CB 3.88Å; F78-V82 HydrophobicContact CB-CG1 3.81Å; F78-V82 HydrophobicContact CB-CG2 4.25Å; G79-V82 PolarHBondContact O-N 3.15Å; V82-R84 VanDerWaalsContact C-N 3.33Å; V82-R84 PolarHBondContact O-N 3.18Å; V82-I85 PolarHBondContact O-N 2.85Å; V82-V86 HydrophobicContact CG1-CG2 4.41Å; V82-V86 WeakPolarHBondContact O-CG2 3.35Å; V82-V86 PolarHBondContact O-N 3.28Å
83A98.7Very high97.5Very high10 Ų1053.6 Ų53.68%0.08327%0.269CS..Hα-helixtrans-57.7-44178.200000112.3L74 E75 G79 V86 Q87L74-A83 HydrophobicContact CB-CB 4.05Å; E75-A83 HydrophobicContact CB-CB 3.89Å; G79-A83 PolarHBondContact O-N 3.49Å; G79-A83 VanDerWaalsContact O-N 3.14Å; A83-V86 PolarHBondContact O-N 3.31Å; A83-Q87 WeakPolarHBondContact O-CB 3.48Å; A83-Q87 PolarHBondContact O-N 3.09Å
84R98.6Very high97.3Very high122 Ų12255.9 Ų55.946%0.4629%0.29SS..Hα-helixtrans-59.7-47.7175.3-178.1-17269.8-149.8-1.9112.1P80 I81 V82 V86 Q87 E88P80-R84 VanDerWaalsContact O-CB 3.22Å; P80-R84 WeakPolarHBondContact O-CB 3.37Å; P80-R84 PolarHBondContact O-N 3.4Å; I81-R84 PolarHBondContact O-N 2.96Å; V82-R84 VanDerWaalsContact C-N 3.33Å; V82-R84 PolarHBondContact O-N 3.18Å; R84-V86 VanDerWaalsContact C-N 3.34Å; R84-V86 PolarHBondContact O-N 2.93Å; R84-Q87 WeakPolarHBondContact O-CB 3.35Å; R84-Q87 PolarHBondContact O-N 3.47Å; R84-E88 WeakPolarHBondContact O-CG 3.48Å; R84-E88 PolarHBondContact O-N 3.37Å
85I98.8Very high97.1Very high0 Ų058.5 Ų58.50%030%0.304CS..Hα-helixtrans-62.3-44.8-179.4-60.7160.3000110E53 V54 A57 I81 V82 Q87 E88 V89 Q114 A115 V118E53-I85 HydrophobicContact CB-CD1 4.46Å; V54-I85 HydrophobicContact CG2-CD1 4.49Å; A57-I85 HydrophobicContact CB-CB 3.68Å; A57-I85 HydrophobicContact CB-CD1 4.22Å; A57-I85 HydrophobicContact CB-CG2 3.43Å; A57-I85 VanDerWaalsContact CB-CG2 3.43Å; I81-I85 HydrophobicContact CG2-CD1 3.98Å; I81-I85 VanDerWaalsContact O-CG1 3.29Å; I81-I85 WeakPolarHBondContact O-CG1 3.47Å; I81-I85 PolarHBondContact O-N 3.42Å; V82-I85 PolarHBondContact O-N 2.85Å; I85-Q87 VanDerWaalsContact C-N 3.3Å; I85-Q87 PolarHBondContact O-N 3.3Å; I85-E88 PolarHBondContact O-N 2.93Å; I85-V89 WeakPolarHBondContact O-CG2 3.43Å; I85-V89 PolarHBondContact O-N 3.26Å; I85-Q114 HydrophobicContact CD1-CB 3.78Å; I85-Q114 HydrophobicContact CD1-CG 4.28Å; I85-Q114 HydrophobicContact CG1-CB 3.85Å; I85-Q114 HydrophobicContact CG2-CB 4.46Å; I85-A115 HydrophobicContact CG2-CB 4.36Å; I85-V118 HydrophobicContact CG2-CG2 4.19Å
86V98.8Very high97Very high0 Ų057.9 Ų57.90%031%0.309CS..Hα-helixtrans-60.5-41.2177175.60000111A57 L60 V64 L74 V82 A83 R84 E88 V89 T90A57-V86 HydrophobicContact CB-CG2 4.07Å; L60-V86 HydrophobicContact CB-CG2 3.81Å; V64-V86 HydrophobicContact CB-CG1 4.5Å; V64-V86 HydrophobicContact CG2-CG1 3.94Å; L74-V86 HydrophobicContact CD1-CB 3.87Å; L74-V86 HydrophobicContact CD1-CG1 3.57Å; L74-V86 HydrophobicContact CD1-CG2 4.08Å; V82-V86 HydrophobicContact CG1-CG2 4.41Å; V82-V86 WeakPolarHBondContact O-CG2 3.35Å; V82-V86 PolarHBondContact O-N 3.28Å; A83-V86 PolarHBondContact O-N 3.31Å; R84-V86 VanDerWaalsContact C-N 3.34Å; R84-V86 PolarHBondContact O-N 2.93Å; V86-E88 VanDerWaalsContact C-N 3.33Å; V86-E88 PolarHBondContact O-N 3.2Å; V86-V89 VanDerWaalsContact O-CG2 3.25Å; V86-V89 WeakPolarHBondContact O-CG2 3.48Å; V86-V89 PolarHBondContact O-N 3.37Å; V86-T90 WeakPolarHBondContact O-CB 3.25Å; V86-T90 PolarHBondContact O-N 3.42Å; V86-T90 PolarHBondContact O-OG1 3.38Å
87Q98Very high96.6Very high95 Ų9556 Ų5644%0.44429%0.294SS..Hα-helixtrans-62.1-37.7177.1-173.460.472.400112.9A83 R84 I85 V89A83-Q87 WeakPolarHBondContact O-CB 3.48Å; A83-Q87 PolarHBondContact O-N 3.09Å; R84-Q87 WeakPolarHBondContact O-CB 3.35Å; R84-Q87 PolarHBondContact O-N 3.47Å; I85-Q87 VanDerWaalsContact C-N 3.3Å; I85-Q87 PolarHBondContact O-N 3.3Å; Q87-V89 VanDerWaalsContact C-N 3.26Å; Q87-V89 PolarHBondContact O-N 3.32Å
88E98.2Very high96.4Very high52 Ų5258.6 Ų58.624%0.24331%0.308CS..Hα-helixtrans-69.7-21.3177.8-69.8-175.7-109.700113.7R84 I85 V86 C111 S112 A115 K119R84-E88 WeakPolarHBondContact O-CG 3.48Å; R84-E88 PolarHBondContact O-N 3.37Å; I85-E88 PolarHBondContact O-N 2.93Å; V86-E88 VanDerWaalsContact C-N 3.33Å; V86-E88 PolarHBondContact O-N 3.2Å; E88-C111 WeakPolarHBondContact OE2-CA 3.44Å; E88-S112 VanDerWaalsContact CD-OG 3.28Å; E88-S112 WeakPolarHBondContact OE1-CB 3.45Å; E88-S112 PolarHBondContact OE1-OG 2.95Å; E88-S112 WeakPolarHBondContact OE2-CB 3.24Å; E88-S112 PolarHBondContact OE2-N 3.42Å; E88-S112 PolarHBondContact OE2-OG 3.37Å; E88-A115 HydrophobicContact CB-CB 3.62Å; E88-A115 HydrophobicContact CG-CB 4.35Å; E88-K119 VanDerWaalsContact O-CE 3.23Å; E88-K119 WeakPolarHBondContact O-CE 3.45Å; E88-K119 PolarHBondContact O-NZ 3.46Å
89V97.8Very high96.3Very high15 Ų1560.1 Ų60.19%0.09132%0.315CS..Hα-helixtrans-104.8-4.4-179.4-54.80000113.9H61 I85 V86 Q87 A115 V118 K119H61-V89 HydrophobicContact CB-CG2 3.7Å; I85-V89 WeakPolarHBondContact O-CG2 3.43Å; I85-V89 PolarHBondContact O-N 3.26Å; V86-V89 VanDerWaalsContact O-CG2 3.25Å; V86-V89 WeakPolarHBondContact O-CG2 3.48Å; V86-V89 PolarHBondContact O-N 3.37Å; Q87-V89 VanDerWaalsContact C-N 3.26Å; Q87-V89 PolarHBondContact O-N 3.32Å; V89-A115 HydrophobicContact CG1-CB 3.93Å; V89-V118 HydrophobicContact CG1-CB 4.19Å; V89-V118 HydrophobicContact CG1-CG1 4.2Å; V89-V118 HydrophobicContact CG2-CG1 4.39Å; V89-K119 HydrophobicContact CB-CG 4.47Å; V89-K119 HydrophobicContact CG1-CD 4.47Å; V89-K119 HydrophobicContact CG1-CG 3.86Å
90T97.4Very high96.1Very high25 Ų2561 Ų6115%0.15331%0.312CS..  trans-84.1126.9175.9-64.10000110.7V64 E65 V86V64-T90 HydrophobicContact CB-CG2 4.19Å; V64-T90 HydrophobicContact CG1-CG2 3.98Å; E65-T90 HydrophobicContact CB-CG2 4.09Å; V86-T90 WeakPolarHBondContact O-CB 3.25Å; V86-T90 PolarHBondContact O-N 3.42Å; V86-T90 PolarHBondContact O-OG1 3.38Å
91D94.8Very high95.8Very high22 Ų2259.6 Ų59.612%0.11830%0.297CS..  trans-81.5147.3169.9-71.5-15.9000111.9E65 K93 R100 Q104E65-D91 VanDerWaalsContact OE2-CB 3.32Å; E65-D91 WeakPolarHBondContact OE2-CB 3.3Å; E65-D91 PolarHBondContact OE2-N 2.95Å; D91-K93 PolarHBondContact O-N 3.42Å; D91-K93 VanDerWaalsContact O-N 3.09Å; D91-R100 HydrophobicContact CB-CB 4.49Å; D91-R100 IonicContact OD2-NH1 3.49Å; D91-R100 PolarHBondContact OD2-NH1 3.21Å; D91-Q104 VanDerWaalsContact OD1-CG 3.26Å; D91-Q104 WeakPolarHBondContact OD1-CG 3.42Å; D91-Q104 PolarHBondContact OD1-NE2 3.36Å; D91-Q104 PolarHBondContact OD2-NE2 3.13Å
92D92.7Very high95.7Very high89 Ų8962.7 Ų62.748%0.47631%0.305SS..  trans-72.3101.9169.8-179.8-2.5000111.3S94 L95 R100D92-S94 PolarHBondContact O-N 3.19Å; D92-S94 WeakPolarHBondContact OD1-CB 3.32Å; D92-S94 PolarHBondContact OD1-N 3.11Å; D92-S94 PolarHBondContact OD1-OG 3.39Å; D92-S94 PolarHBondContact OD2-OG 3.3Å; D92-S94 VanDerWaalsContact OD2-OG 3.11Å; D92-L95 HydrophobicContact CB-CD1 4.06Å; D92-L95 HydrophobicContact CB-CG 4.25Å; D92-L95 PolarHBondContact O-N 3.41Å; D92-R100 WeakPolarHBondContact O-CD 3.42Å; D92-R100 WeakPolarHBondContact O-CG 3.06Å
93K91.1Very high95.4Very high95 Ų9564.3 Ų64.341%0.41331%0.314SS..THydrogen-bonded Turntrans-66-11.9179.4-67.1-67.1-128.1-145.20114.7E65 D66 D91 L95E65-K93 HydrophobicContact CG-CD 3.69Å; E65-K93 VanDerWaalsContact CG-CE 3.5Å; E65-K93 HydrophobicContact CG-CG 3.84Å; E65-K93 VanDerWaalsContact O-CE 3.26Å; E65-K93 WeakPolarHBondContact O-CE 3.33Å; E65-K93 WeakPolarHBondContact O-CG 3.4Å; E65-K93 IonicContact OE1-NZ 2.84Å; E65-K93 PolarHBondContact OE1-NZ 3.34Å; D66-K93 VanDerWaalsContact OD1-CE 3.27Å; D66-K93 WeakPolarHBondContact OD1-CE 3.4Å; D66-K93 IonicContact OD1-NZ 3.61Å; D66-K93 PolarHBondContact OD1-NZ 3.45Å; D91-K93 PolarHBondContact O-N 3.42Å; D91-K93 VanDerWaalsContact O-N 3.09Å; K93-L95 PolarHBondContact O-N 3.44Å
94S92.9Very high95.2Very high98 Ų9864.9 Ų64.969%0.68532%0.315SS*.THydrogen-bonded Turntrans-71.8-20.6174.278.60000112.5D92D92-S94 PolarHBondContact O-N 3.19Å; D92-S94 WeakPolarHBondContact OD1-CB 3.32Å; D92-S94 PolarHBondContact OD1-N 3.11Å; D92-S94 PolarHBondContact OD1-OG 3.39Å; D92-S94 PolarHBondContact OD2-OG 3.3Å; D92-S94 VanDerWaalsContact OD2-OG 3.11Å
95L94.6Very high94.9Very high55 Ų5560.9 Ų60.929%0.28830%0.304SS..SBendtrans-86.6149.8-178.4-60.8176.5000112.7D92 K93 E99 R100 L103D92-L95 HydrophobicContact CB-CD1 4.06Å; D92-L95 HydrophobicContact CB-CG 4.25Å; D92-L95 PolarHBondContact O-N 3.41Å; K93-L95 PolarHBondContact O-N 3.44Å; L95-E99 HydrophobicContact CB-CB 4.4Å; L95-E99 HydrophobicContact CB-CG 4.3Å; L95-E99 HydrophobicContact CD1-CG 4.17Å; L95-R100 HydrophobicContact CB-CG 3.92Å; L95-L103 HydrophobicContact CD1-CD1 3.42Å; L95-L103 VanDerWaalsContact CD1-CD1 3.42Å
96P95.6Very high94.7Very high93 Ų9365 Ų6560%0.60432%0.323SS*.  trans-56.3146.1172.2-24.134000112.2Q98 E99 R100P96-Q98 VanDerWaalsContact C-N 3.26Å; P96-Q98 PolarHBondContact O-N 3.05Å; P96-Q98 VanDerWaalsContact O-N 3.12Å; P96-E99 HydrophobicContact CB-CB 4.48Å; P96-E99 WeakPolarHBondContact O-CA 3.38Å; P96-E99 WeakPolarHBondContact O-CB 3.2Å; P96-E99 PolarHBondContact O-N 3.19Å; P96-R100 PolarHBondContact O-N 2.66Å
97K91.3Very high94.3Very high105 Ų10569.9 Ų69.946%0.45735%0.346SS..Hα-helixtrans-52.6-39.7-177.5-176.9-176.9176.4-170.20114.1E99 K101K97-E99 VanDerWaalsContact C-N 3.3Å; K97-K101 PolarHBondContact O-N 2.91Å; K97-K101 VanDerWaalsContact O-N 3.12Å
98Q92.8Very high93.9Very high171 Ų17165.4 Ų65.480%0.79933%0.325SS*.Hα-helixtrans-65.6-37178.3-73.1-178.6-14.500111.7P96 K101 R102P96-Q98 VanDerWaalsContact C-N 3.26Å; P96-Q98 PolarHBondContact O-N 3.05Å; P96-Q98 VanDerWaalsContact O-N 3.12Å; Q98-K101 WeakPolarHBondContact O-CB 3.44Å; Q98-K101 PolarHBondContact O-N 2.93Å; Q98-R102 PolarHBondContact O-N 3.17Å; Q98-R102 VanDerWaalsContact O-N 3.07Å
99E95.4Very high93.7Very high56 Ų5665.6 Ų65.626%0.26233%0.33SS..Hα-helixtrans-69.5-43.8178-176.662.5-179.100111.4L95 P96 K97 K101 R102 L103L95-E99 HydrophobicContact CB-CB 4.4Å; L95-E99 HydrophobicContact CB-CG 4.3Å; L95-E99 HydrophobicContact CD1-CG 4.17Å; P96-E99 HydrophobicContact CB-CB 4.48Å; P96-E99 WeakPolarHBondContact O-CA 3.38Å; P96-E99 WeakPolarHBondContact O-CB 3.2Å; P96-E99 PolarHBondContact O-N 3.19Å; K97-E99 VanDerWaalsContact C-N 3.3Å; E99-K101 VanDerWaalsContact C-N 3.28Å; E99-K101 PolarHBondContact O-N 3.26Å; E99-R102 WeakPolarHBondContact O-CB 3.48Å; E99-R102 PolarHBondContact O-N 2.91Å; E99-R102 VanDerWaalsContact O-N 3.08Å; E99-R102 IonicContact OE1-CZ 2.74Å; E99-R102 IonicContact OE1-NE 3.55Å; E99-R102 IonicContact OE1-NH2 3.47Å; E99-R102 PolarHBondContact OE1-NH2 3.32Å; E99-R102 IonicContact OE2-CZ 3.32Å; E99-R102 IonicContact OE2-NE 3.52Å; E99-R102 PolarHBondContact OE2-NE 3.16Å; E99-R102 IonicContact OE2-NH2 3.11Å; E99-R102 PolarHBondContact OE2-NH2 2.89Å; E99-L103 HydrophobicContact CG-CD1 4.29Å; E99-L103 WeakPolarHBondContact O-CG 3.11Å; E99-L103 PolarHBondContact O-N 3.45Å
100R94.8Very high93.5Very high43 Ų4372.5 Ų72.516%0.16236%0.361CS..Hα-helixtrans-56.1-44.5173.3-59.5-168-56.3127.1-20.9111.8E65 D91 D92 L95 P96 R102 L103 Q104E65-R100 IonicContact OE1-NH1 2.77Å; E65-R100 PolarHBondContact OE1-NH1 3.3Å; D91-R100 HydrophobicContact CB-CB 4.49Å; D91-R100 IonicContact OD2-NH1 3.49Å; D91-R100 PolarHBondContact OD2-NH1 3.21Å; D92-R100 WeakPolarHBondContact O-CD 3.42Å; D92-R100 WeakPolarHBondContact O-CG 3.06Å; L95-R100 HydrophobicContact CB-CG 3.92Å; P96-R100 PolarHBondContact O-N 2.66Å; R100-R102 VanDerWaalsContact C-N 3.34Å; R100-R102 PolarHBondContact O-N 3.05Å; R100-L103 PolarHBondContact O-N 3.32Å; R100-Q104 PolarHBondContact O-N 3.01Å
101K93.1Very high93.4Very high50 Ų5072 Ų7222%0.21736%0.359CS..Hα-helixtrans-60.3-40.2175.9-81.6-166.5164.7-161.10113.2K97 Q98 E99 W149K97-K101 PolarHBondContact O-N 2.91Å; K97-K101 VanDerWaalsContact O-N 3.12Å; Q98-K101 WeakPolarHBondContact O-CB 3.44Å; Q98-K101 PolarHBondContact O-N 2.93Å; E99-K101 VanDerWaalsContact C-N 3.28Å; E99-K101 PolarHBondContact O-N 3.26Å; K101-W149 HydrophobicContact CB-CZ2 4.45Å; K101-W149 HydrophobicContact CD-CD2 4.07Å; K101-W149 HydrophobicContact CD-CG 4.02Å; K101-W149 HydrophobicContact CG-CD2 4.21Å; K101-W149 HydrophobicContact CG-CG 4.45Å; K101-W149 HydrophobicContact CG-CZ2 3.94Å; K101-W149 PolarHBondContact O-NE1 2.94Å
102R95.1Very high93.6Very high119 Ų11972.5 Ų72.545%0.44936%0.364SS..Hα-helixtrans-65-48.7176.5-176.817876.4102.7-4.7110.8Q98 E99 R100 Q104 V105 E106Q98-R102 PolarHBondContact O-N 3.17Å; Q98-R102 VanDerWaalsContact O-N 3.07Å; E99-R102 WeakPolarHBondContact O-CB 3.48Å; E99-R102 PolarHBondContact O-N 2.91Å; E99-R102 VanDerWaalsContact O-N 3.08Å; E99-R102 IonicContact OE1-CZ 2.74Å; E99-R102 IonicContact OE1-NE 3.55Å; E99-R102 IonicContact OE1-NH2 3.47Å; E99-R102 PolarHBondContact OE1-NH2 3.32Å; E99-R102 IonicContact OE2-CZ 3.32Å; E99-R102 IonicContact OE2-NE 3.52Å; E99-R102 PolarHBondContact OE2-NE 3.16Å; E99-R102 IonicContact OE2-NH2 3.11Å; E99-R102 PolarHBondContact OE2-NH2 2.89Å; R100-R102 VanDerWaalsContact C-N 3.34Å; R100-R102 PolarHBondContact O-N 3.05Å; R102-Q104 VanDerWaalsContact C-N 3.3Å; R102-Q104 PolarHBondContact O-N 3.11Å; R102-V105 WeakPolarHBondContact O-CB 3.36Å; R102-V105 PolarHBondContact O-N 3.45Å; R102-E106 WeakPolarHBondContact CG-OE1 3.41Å; R102-E106 IonicContact CZ-OE1 2.79Å; R102-E106 IonicContact NE-OE1 3.33Å; R102-E106 IonicContact NH1-OE1 3.5Å; R102-E106 PolarHBondContact NH1-OE1 2.99Å; R102-E106 IonicContact NH1-OE2 3.25Å; R102-E106 PolarHBondContact O-N 3.43Å; R102-E106 VanDerWaalsContact O-N 3.1Å
103L94.2Very high93.8Very high35 Ų3573.1 Ų73.118%0.18336%0.364CS..Hα-helixtrans-62.2-34178.9-68175.2000112.7L95 E99 R100 V105 E106 H107L95-L103 HydrophobicContact CD1-CD1 3.42Å; L95-L103 VanDerWaalsContact CD1-CD1 3.42Å; E99-L103 HydrophobicContact CG-CD1 4.29Å; E99-L103 WeakPolarHBondContact O-CG 3.11Å; E99-L103 PolarHBondContact O-N 3.45Å; R100-L103 PolarHBondContact O-N 3.32Å; L103-V105 VanDerWaalsContact C-N 3.25Å; L103-V105 PolarHBondContact O-N 3.23Å; L103-E106 PolarHBondContact O-N 3.46Å; L103-H107 VanDerWaalsContact O-CB 3.27Å; L103-H107 WeakPolarHBondContact O-CB 3.47Å; L103-H107 PolarHBondContact O-N 3.01Å
104Q92.7Very high94.2Very high23 Ų2370.3 Ų70.311%0.10735%0.352CS..Hα-helixtrans-59.6-35.6173.4-77.8-167.643.200112.7D91 R100 R102 A108 K123 W149 V153D91-Q104 VanDerWaalsContact OD1-CG 3.26Å; D91-Q104 WeakPolarHBondContact OD1-CG 3.42Å; D91-Q104 PolarHBondContact OD1-NE2 3.36Å; D91-Q104 PolarHBondContact OD2-NE2 3.13Å; R100-Q104 PolarHBondContact O-N 3.01Å; R102-Q104 VanDerWaalsContact C-N 3.3Å; R102-Q104 PolarHBondContact O-N 3.11Å; Q104-A108 WeakPolarHBondContact O-CB 3.38Å; Q104-A108 PolarHBondContact O-N 2.86Å; Q104-K123 VanDerWaalsContact OE1-NZ 3.08Å; Q104-W149 HydrophobicContact CB-CZ2 4.2Å; Q104-W149 HydrophobicContact CG-CZ2 4.37Å; Q104-W149 VanDerWaalsContact OE1-CZ2 3.26Å; Q104-V153 HydrophobicContact CB-CG2 4.11Å
105V93.1Very high94.5Very high38 Ų3865.6 Ų65.623%0.2332%0.32CS..Hα-helixtrans-75.1-43.8176.9179.90000110.8R102 L103 P109 E152 V153R102-V105 WeakPolarHBondContact O-CB 3.36Å; R102-V105 PolarHBondContact O-N 3.45Å; L103-V105 VanDerWaalsContact C-N 3.25Å; L103-V105 PolarHBondContact O-N 3.23Å; V105-P109 WeakPolarHBondContact O-CD 3.43Å; V105-E152 HydrophobicContact CG1-CB 4.37Å; V105-E152 HydrophobicContact CG2-CB 4Å; V105-V153 HydrophobicContact CG2-CG2 3.63Å
106E93.7Very high94.7Very high87 Ų8764.6 Ų64.641%0.40731%0.313SS..Hα-helixtrans-68.3-39.1-178.3-69.4178.6-170.800112.6R102 L103 P109 H110R102-E106 WeakPolarHBondContact CG-OE1 3.41Å; R102-E106 IonicContact CZ-OE1 2.79Å; R102-E106 IonicContact NE-OE1 3.33Å; R102-E106 IonicContact NH1-OE1 3.5Å; R102-E106 PolarHBondContact NH1-OE1 2.99Å; R102-E106 IonicContact NH1-OE2 3.25Å; R102-E106 PolarHBondContact O-N 3.43Å; R102-E106 VanDerWaalsContact O-N 3.1Å; L103-E106 PolarHBondContact O-N 3.46Å; E106-P109 WeakPolarHBondContact O-CD 3.25Å; E106-H110 PolarHBondContact O-CD2 3.35Å
107H92Very high94.8Very high102 Ų10261.1 Ų61.147%0.47229%0.289SS..Hα-helixtrans-84.6-23.5-178.2-64.4167.9000113.7L103 P109 H110 C111L103-H107 VanDerWaalsContact O-CB 3.27Å; L103-H107 WeakPolarHBondContact O-CB 3.47Å; L103-H107 PolarHBondContact O-N 3.01Å; H107-P109 VanDerWaalsContact C-CD 3.41Å; H107-H110 PolarHBondContact O-N 2.92Å; H107-C111 PolarHBondContact O-N 2.98Å
108A89.5Confident95.2Very high0 Ų056.1 Ų56.10%027%0.268CS..G310 helixtrans-49.8-43.6-176.600000114.8Q104 H110 C111 K116 V153 L157Q104-A108 WeakPolarHBondContact O-CB 3.38Å; Q104-A108 PolarHBondContact O-N 2.86Å; A108-H110 PolarHBondContact O-N 2.76Å; A108-C111 PolarHBondContact O-N 3.32Å; A108-K116 WeakPolarHBondContact O-CE 3.49Å; A108-V153 HydrophobicContact CB-CG1 4.48Å; A108-L157 HydrophobicContact CB-CD2 3.7Å; A108-L157 HydrophobicContact CB-CG 4.09Å
109P92.4Very high95.5Very high56 Ų5648.8 Ų48.836%0.36423%0.233SC..G310 helixtrans-63.4-29178.1-21.433.4000113.6V105 E106 H107 K116V105-P109 WeakPolarHBondContact O-CD 3.43Å; E106-P109 WeakPolarHBondContact O-CD 3.25Å; H107-P109 VanDerWaalsContact C-CD 3.41Å; P109-K116 WeakPolarHBondContact O-CE 3.44Å; P109-K116 PolarHBondContact O-NZ 3.16Å
110H94.4Very high95.6Very high160 Ų16046.1 Ų46.174%0.74122%0.22SC*.G310 helixtrans-90.2-11.1-173.3-56.5-59.2000113.8E106 H107 A108E106-H110 PolarHBondContact O-CD2 3.35Å; H107-H110 PolarHBondContact O-N 2.92Å; A108-H110 PolarHBondContact O-N 2.76Å
111C95.9Very high95.8Very high14 Ų1444 Ų4410%0.09521%0.213CC..SBendtrans-62.8149.1173.8-690000111.9E88 H107 A108 A115 K116 K119E88-C111 WeakPolarHBondContact OE2-CA 3.44Å; H107-C111 PolarHBondContact O-N 2.98Å; A108-C111 PolarHBondContact O-N 3.32Å; C111-A115 HydrophobicContact CB-CB 4.08Å; C111-K116 HydrophobicContact CB-CG 3.88Å; C111-K116 WeakPolarHBondContact O-CE 3.26Å; C111-K119 PolarHBondContact SG-NZ 3.39Å; C111-K119 VanDerWaalsContact SG-NZ 3.39Å
112S98.1Very high96.1Very high34 Ų3442.6 Ų42.624%0.23821%0.207CC..  trans-60.9156.5169.969.70000111.4E88 Q114 A115 K116E88-S112 VanDerWaalsContact CD-OG 3.28Å; E88-S112 WeakPolarHBondContact OE1-CB 3.45Å; E88-S112 PolarHBondContact OE1-OG 2.95Å; E88-S112 WeakPolarHBondContact OE2-CB 3.24Å; E88-S112 PolarHBondContact OE2-N 3.42Å; E88-S112 PolarHBondContact OE2-OG 3.37Å; S112-Q114 PolarHBondContact O-N 3.43Å; S112-A115 PolarHBondContact O-N 3.17Å; S112-A115 VanDerWaalsContact O-N 3.14Å; S112-A115 WeakPolarHBondContact OG-CB 3.39Å; S112-A115 PolarHBondContact OG-N 3.37Å; S112-K116 WeakPolarHBondContact O-CG 3.5Å; S112-K116 PolarHBondContact O-N 2.89Å
113Q98Very high96.3Very high101 Ų10137.2 Ų37.247%0.47219%0.187SC..Hα-helixtrans-54.4-39.8177.1-170.570.79.300111.9K116 L117 T160Q113-K116 PolarHBondContact O-N 3.05Å; Q113-L117 WeakPolarHBondContact O-CG 3.45Å; Q113-L117 PolarHBondContact O-N 3.41Å; Q113-L117 VanDerWaalsContact O-N 3.11Å; Q113-T160 VanDerWaalsContact NE2-CA 3.32Å; Q113-T160 PolarHBondContact NE2-O 2.88Å
114Q98.6Very high96.5Very high36 Ų3635.5 Ų35.517%0.16818%0.178CC..Hα-helixtrans-63.1-47.1178.4-67.5176.8-58.200111.3D51 V54 I85 S112 L117 V118D51-Q114 PolarHBondContact OD2-NE2 3.05Å; V54-Q114 HydrophobicContact CG2-CB 3.81Å; V54-Q114 HydrophobicContact CG2-CG 3.63Å; I85-Q114 HydrophobicContact CD1-CB 3.78Å; I85-Q114 HydrophobicContact CD1-CG 4.28Å; I85-Q114 HydrophobicContact CG1-CB 3.85Å; I85-Q114 HydrophobicContact CG2-CB 4.46Å; S112-Q114 PolarHBondContact O-N 3.43Å; Q114-L117 WeakPolarHBondContact O-CB 3.43Å; Q114-L117 PolarHBondContact O-N 3.3Å; Q114-V118 PolarHBondContact O-N 3.28Å
115A98.6Very high96.8Very high0 Ų036.9 Ų36.90%018%0.183CC..Hα-helixtrans-67-37.3176.600000112.5I85 E88 V89 C111 S112 L117 V118 K119I85-A115 HydrophobicContact CG2-CB 4.36Å; E88-A115 HydrophobicContact CB-CB 3.62Å; E88-A115 HydrophobicContact CG-CB 4.35Å; V89-A115 HydrophobicContact CG1-CB 3.93Å; C111-A115 HydrophobicContact CB-CB 4.08Å; S112-A115 PolarHBondContact O-N 3.17Å; S112-A115 VanDerWaalsContact O-N 3.14Å; S112-A115 WeakPolarHBondContact OG-CB 3.39Å; S112-A115 PolarHBondContact OG-N 3.37Å; A115-L117 VanDerWaalsContact C-N 3.32Å; A115-L117 PolarHBondContact O-N 2.85Å; A115-V118 PolarHBondContact O-N 2.98Å; A115-K119 WeakPolarHBondContact O-CG 3.25Å; A115-K119 PolarHBondContact O-N 3.02Å
116K98.7Very high97Very high34 Ų3436.1 Ų36.115%0.14818%0.178CC..Hα-helixtrans-60.8-39.7175.8-69.1-177.5173.1166.40112A108 P109 C111 S112 Q113 K119 L120 L157 T160A108-K116 WeakPolarHBondContact O-CE 3.49Å; P109-K116 WeakPolarHBondContact O-CE 3.44Å; P109-K116 PolarHBondContact O-NZ 3.16Å; C111-K116 HydrophobicContact CB-CG 3.88Å; C111-K116 WeakPolarHBondContact O-CE 3.26Å; S112-K116 WeakPolarHBondContact O-CG 3.5Å; S112-K116 PolarHBondContact O-N 2.89Å; Q113-K116 PolarHBondContact O-N 3.05Å; K116-K119 PolarHBondContact O-N 2.83Å; K116-L120 WeakPolarHBondContact O-CG 3.35Å; K116-L120 PolarHBondContact O-N 3.41Å; K116-L157 HydrophobicContact CB-CD2 4.06Å; K116-L157 HydrophobicContact CD-CD2 4.29Å; K116-L157 HydrophobicContact CG-CD2 3.66Å; K116-T160 HydrophobicContact CB-CG2 3.58Å; K116-T160 WeakPolarHBondContact CD-OG1 3.24Å
117L98.8Very high97.2Very high19 Ų1932 Ų3210%0.09916%0.158CC..Hα-helixtrans-57.6-51.9174-74.2168.8000111.2L43 V49 V54 Q113 Q114 A115 K119 L120 A121 T160 N161L43-L117 HydrophobicContact CD2-CB 3.92Å; L43-L117 WeakPolarHBondContact CD2-O 3.44Å; V49-L117 HydrophobicContact CG2-CD1 4.09Å; V49-L117 HydrophobicContact CG2-CD2 4.11Å; V54-L117 HydrophobicContact CG1-CB 4.25Å; V54-L117 HydrophobicContact CG1-CD1 4.23Å; Q113-L117 WeakPolarHBondContact O-CG 3.45Å; Q113-L117 PolarHBondContact O-N 3.41Å; Q113-L117 VanDerWaalsContact O-N 3.11Å; Q114-L117 WeakPolarHBondContact O-CB 3.43Å; Q114-L117 PolarHBondContact O-N 3.3Å; A115-L117 VanDerWaalsContact C-N 3.32Å; A115-L117 PolarHBondContact O-N 2.85Å; L117-K119 VanDerWaalsContact C-N 3.34Å; L117-K119 PolarHBondContact O-N 3.36Å; L117-L120 PolarHBondContact O-N 3.04Å; L117-A121 PolarHBondContact O-N 3.45Å; L117-T160 HydrophobicContact CD2-CG2 3.89Å; L117-T160 HydrophobicContact CG-CG2 3.9Å; L117-N161 HydrophobicContact CD2-CB 3.69Å
118V98.8Very high97.5Very high1 Ų130.9 Ų30.91%0.00615%0.15CC..Hα-helixtrans-59-45.2179.11790000110.9L43 V54 A58 H61 I85 V89 Q114 A115 L120 A121 D122L43-V118 HydrophobicContact CD1-CG2 4.32Å; V54-V118 HydrophobicContact CG1-CG2 4.19Å; A58-V118 HydrophobicContact CB-CG1 4.48Å; A58-V118 HydrophobicContact CB-CG2 4.27Å; H61-V118 HydrophobicContact CB-CG1 3.89Å; I85-V118 HydrophobicContact CG2-CG2 4.19Å; V89-V118 HydrophobicContact CG1-CB 4.19Å; V89-V118 HydrophobicContact CG1-CG1 4.2Å; V89-V118 HydrophobicContact CG2-CG1 4.39Å; Q114-V118 PolarHBondContact O-N 3.28Å; A115-V118 PolarHBondContact O-N 2.98Å; V118-L120 PolarHBondContact O-N 2.92Å; V118-A121 PolarHBondContact O-N 3.24Å; V118-D122 WeakPolarHBondContact O-CB 3.49Å; V118-D122 PolarHBondContact O-N 2.92Å
119K98.7Very high97.9Very high16 Ų1633 Ų337%0.0716%0.161CC..Hα-helixtrans-61.9-41.2177.6-69.3-171-177.2-162.50113E88 V89 C111 A115 K116 L117 K123 L157E88-K119 VanDerWaalsContact O-CE 3.23Å; E88-K119 WeakPolarHBondContact O-CE 3.45Å; E88-K119 PolarHBondContact O-NZ 3.46Å; V89-K119 HydrophobicContact CB-CG 4.47Å; V89-K119 HydrophobicContact CG1-CD 4.47Å; V89-K119 HydrophobicContact CG1-CG 3.86Å; C111-K119 PolarHBondContact SG-NZ 3.39Å; C111-K119 VanDerWaalsContact SG-NZ 3.39Å; A115-K119 WeakPolarHBondContact O-CG 3.25Å; A115-K119 PolarHBondContact O-N 3.02Å; K116-K119 PolarHBondContact O-N 2.83Å; L117-K119 VanDerWaalsContact C-N 3.34Å; L117-K119 PolarHBondContact O-N 3.36Å; K119-K123 VanDerWaalsContact O-CG 3.26Å; K119-K123 WeakPolarHBondContact O-CG 3.18Å; K119-K123 PolarHBondContact O-N 3.41Å; K119-L157 HydrophobicContact CB-CD1 3.72Å
120L98.7Very high98.1Very high0 Ų030.8 Ų30.80%015%0.146CC..Hα-helixtrans-62.8-46.8176.5-74.6173.6000111.4K116 L117 V118 K123 L124 V154 L157 T160 N161 L164 E165 L168K116-L120 WeakPolarHBondContact O-CG 3.35Å; K116-L120 PolarHBondContact O-N 3.41Å; L117-L120 PolarHBondContact O-N 3.04Å; V118-L120 PolarHBondContact O-N 2.92Å; L120-K123 PolarHBondContact O-N 3.28Å; L120-L124 WeakPolarHBondContact O-CB 3.35Å; L120-L124 PolarHBondContact O-N 2.94Å; L120-V154 HydrophobicContact CD2-CG1 4.02Å; L120-V154 HydrophobicContact CD2-CG2 4.38Å; L120-L157 HydrophobicContact CD2-CB 3.73Å; L120-L157 HydrophobicContact CD2-CD1 3.99Å; L120-L157 HydrophobicContact CG-CB 4.09Å; L120-L157 HydrophobicContact CG-CD1 4.19Å; L120-T160 HydrophobicContact CD1-CG2 3.99Å; L120-N161 HydrophobicContact CD1-CB 4.48Å; L120-L164 HydrophobicContact CB-CB 4.49Å; L120-L164 HydrophobicContact CB-CD1 4.26Å; L120-E165 HydrophobicContact CD1-CG 4.31Å; L120-E165 HydrophobicContact CD2-CG 4.47Å; L120-L168 HydrophobicContact CB-CD1 4.27Å; L120-L168 HydrophobicContact CD2-CD1 3.54Å
121A98.9Very high98.1Very high0 Ų025.7 Ų25.70%013%0.125CC..Hα-helixtrans-66.9-40.6-179.900000112.7V39 I42 L43 L117 V118 L124 Y125 L164V39-A121 HydrophobicContact CG1-CB 3.78Å; I42-A121 HydrophobicContact CB-CB 4.3Å; I42-A121 HydrophobicContact CG2-CB 3.78Å; L43-A121 HydrophobicContact CD1-CB 4.28Å; L43-A121 HydrophobicContact CD2-CB 3.61Å; L43-A121 HydrophobicContact CG-CB 3.56Å; L117-A121 PolarHBondContact O-N 3.45Å; V118-A121 PolarHBondContact O-N 3.24Å; A121-L124 PolarHBondContact O-N 3.32Å; A121-Y125 WeakPolarHBondContact O-CB 3.49Å; A121-Y125 PolarHBondContact O-N 3.04Å; A121-L164 HydrophobicContact CB-CD1 4.48Å
122D98.8Very high98Very high20 Ų2029.1 Ų29.111%0.10715%0.154CC..Hα-helixtrans-57.9-49.3173167.156.7000111.3H35 V39 H61 V118 L124 Y125 N126H35-D122 IonicContact CE1-OD1 3.54Å; H35-D122 PolarHBondContact CE1-OD1 2.95Å; H35-D122 IonicContact NE2-OD1 3.55Å; H35-D122 PolarHBondContact NE2-OD1 3.12Å; V39-D122 HydrophobicContact CG2-CB 4.47Å; H61-D122 IonicContact NE2-OD1 2.67Å; V118-D122 WeakPolarHBondContact O-CB 3.49Å; V118-D122 PolarHBondContact O-N 2.92Å; D122-L124 VanDerWaalsContact C-N 3.34Å; D122-L124 PolarHBondContact O-N 3.35Å; D122-Y125 PolarHBondContact O-N 3.28Å; D122-N126 WeakPolarHBondContact O-CB 2.94Å; D122-N126 PolarHBondContact O-N 3.3Å; D122-N126 PolarHBondContact O-ND2 2.89Å; D122-N126 VanDerWaalsContact O-ND2 3.16Å; D122-N126 PolarHBondContact OD1-ND2 2.77Å
123K98.6Very high97.8Very high5 Ų529.7 Ų29.72%0.02216%0.157CC..Hα-helixtrans-61.4-43.7177-67.6-65.2176.6-69.10111.3Q104 K119 L120 Y125 N126 L127 W149 A150 V154 L168Q104-K123 VanDerWaalsContact OE1-NZ 3.08Å; K119-K123 VanDerWaalsContact O-CG 3.26Å; K119-K123 WeakPolarHBondContact O-CG 3.18Å; K119-K123 PolarHBondContact O-N 3.41Å; L120-K123 PolarHBondContact O-N 3.28Å; K123-Y125 PolarHBondContact O-N 2.98Å; K123-N126 PolarHBondContact O-N 2.88Å; K123-L127 WeakPolarHBondContact O-CB 3.43Å; K123-L127 WeakPolarHBondContact O-CG 3.36Å; K123-L127 PolarHBondContact O-N 2.97Å; K123-W149 HydrophobicContact CD-CZ3 4.31Å; K123-W149 VanDerWaalsContact CE-CH2 3.47Å; K123-A150 HydrophobicContact CD-CB 4.17Å; K123-V154 HydrophobicContact CB-CG2 4.21Å; K123-V154 HydrophobicContact CG-CG2 4.39Å; K123-L168 HydrophobicContact CB-CD2 4.26Å
124L98.8Very high97.7Very high0 Ų028 Ų280%015%0.154CC..Hα-helixtrans-62.5-43.3179-178.757000111.8I42 L120 A121 D122 R128 L164 K167 L168 Q171I42-L124 HydrophobicContact CD1-CG 4.41Å; I42-L124 HydrophobicContact CG2-CD2 3.92Å; L120-L124 WeakPolarHBondContact O-CB 3.35Å; L120-L124 PolarHBondContact O-N 2.94Å; A121-L124 PolarHBondContact O-N 3.32Å; D122-L124 VanDerWaalsContact C-N 3.34Å; D122-L124 PolarHBondContact O-N 3.35Å; L124-R128 HydrophobicContact CD1-CG 4.38Å; L124-R128 WeakPolarHBondContact O-CG 3.42Å; L124-R128 PolarHBondContact O-N 2.8Å; L124-R128 VanDerWaalsContact O-N 3.12Å; L124-L164 HydrophobicContact CD2-CD2 4.1Å; L124-K167 HydrophobicContact CD1-CB 4.09Å; L124-K167 HydrophobicContact CD2-CB 3.87Å; L124-K167 HydrophobicContact CD2-CD 4.2Å; L124-L168 HydrophobicContact CB-CD2 3.82Å; L124-L168 HydrophobicContact CB-CG 4.09Å; L124-L168 HydrophobicContact CD1-CD2 4.11Å; L124-L168 HydrophobicContact CD1-CG 4.19Å; L124-Q171 HydrophobicContact CD1-CG 3.93Å
125Y98.8Very high97.5Very high51 Ų5127 Ų2720%0.215%0.151CC..Hα-helixtrans-59.7-52.2176.2-169.4-84.6000110.8N34 H35 V39 I42 A121 D122 K123 L127 R128 D129N34-Y125 PolarHBondContact O-OH 2.87Å; H35-Y125 HydrophobicContact CB-CD1 4.5Å; H35-Y125 HydrophobicContact CB-CE1 3.98Å; H35-Y125 AromaticContact CE1-CD1 3.96Å; H35-Y125 AromaticContact ND1-CD1 3.11Å; H35-Y125 WeakPolarHBondContact ND1-CD1 3.49Å; H35-Y125 AromaticContact ND1-CE1 3.48Å; H35-Y125 WeakPolarHBondContact ND1-CE1 3.32Å; H35-Y125 AromaticContact ND1-CG 3.79Å; V39-Y125 HydrophobicContact CG2-CG 4.28Å; I42-Y125 HydrophobicContact CD1-CD2 3.84Å; I42-Y125 HydrophobicContact CD1-CG 4.3Å; A121-Y125 WeakPolarHBondContact O-CB 3.49Å; A121-Y125 PolarHBondContact O-N 3.04Å; D122-Y125 PolarHBondContact O-N 3.28Å; K123-Y125 PolarHBondContact O-N 2.98Å; Y125-L127 PolarHBondContact O-N 3.32Å; Y125-R128 PolarHBondContact O-N 3.28Å; Y125-D129 PolarHBondContact O-N 2.89Å
126N98.4Very high97.4Very high23 Ų2331.9 Ų31.912%0.12318%0.18CC..Hα-helixtrans-64.4-37.7-177.1-71.8-37.2000112.9R24 D122 K123 D129 L130 Y146R24-N126 PolarHBondContact NH1-OD1 2.84Å; R24-N126 PolarHBondContact NH2-OD1 2.67Å; D122-N126 WeakPolarHBondContact O-CB 2.94Å; D122-N126 PolarHBondContact O-N 3.3Å; D122-N126 PolarHBondContact O-ND2 2.89Å; D122-N126 VanDerWaalsContact O-ND2 3.16Å; D122-N126 PolarHBondContact OD1-ND2 2.77Å; K123-N126 PolarHBondContact O-N 2.88Å; N126-D129 PolarHBondContact O-N 2.8Å; N126-L130 WeakPolarHBondContact O-CB 3.43Å; N126-L130 VanDerWaalsContact O-CG 3.27Å; N126-L130 WeakPolarHBondContact O-CG 3.49Å; N126-L130 PolarHBondContact O-N 3Å; N126-Y146 HydrophobicContact CB-CE1 4.3Å; N126-Y146 WeakPolarHBondContact CB-OH 3.18Å
127L98.3Very high97.2Very high0 Ų033.8 Ų33.80%021%0.21CC..Hα-helixtrans-67.2-38.4176.8-67.6169.6000111.9K123 Y125 L130 N131 Y146 F147 A150 L168 Q171 F172K123-L127 WeakPolarHBondContact O-CB 3.43Å; K123-L127 WeakPolarHBondContact O-CG 3.36Å; K123-L127 PolarHBondContact O-N 2.97Å; Y125-L127 PolarHBondContact O-N 3.32Å; L127-L130 PolarHBondContact O-N 3.38Å; L127-N131 PolarHBondContact O-N 3.1Å; L127-N131 VanDerWaalsContact O-N 3.07Å; L127-Y146 HydrophobicContact CD2-CD1 3.86Å; L127-Y146 HydrophobicContact CD2-CE1 3.92Å; L127-Y146 HydrophobicContact CG-CE1 4.48Å; L127-F147 HydrophobicContact CB-CE1 4.14Å; L127-F147 HydrophobicContact CB-CZ 4.22Å; L127-F147 HydrophobicContact CD2-CD1 3.6Å; L127-F147 HydrophobicContact CD2-CD2 4.03Å; L127-F147 HydrophobicContact CD2-CE1 3.62Å; L127-F147 HydrophobicContact CD2-CE2 4.05Å; L127-F147 HydrophobicContact CD2-CG 3.79Å; L127-F147 HydrophobicContact CD2-CZ 3.84Å; L127-F147 HydrophobicContact CG-CE1 4.37Å; L127-A150 HydrophobicContact CD1-CB 4.25Å; L127-A150 HydrophobicContact CD2-CB 3.97Å; L127-A150 HydrophobicContact CG-CB 4.45Å; L127-L168 HydrophobicContact CD1-CD2 3.67Å; L127-Q171 HydrophobicContact CB-CB 4.33Å; L127-Q171 HydrophobicContact CB-CG 4.37Å; L127-F172 HydrophobicContact CD1-CD1 4.43Å; L127-F172 HydrophobicContact CD1-CE1 3.58Å; L127-F172 HydrophobicContact CD1-CE2 4.35Å; L127-F172 HydrophobicContact CD1-CZ 3.55Å; L127-F172 HydrophobicContact CD2-CE1 4.27Å
128R98.2Very high97.2Very high78 Ų7835.1 Ų35.129%0.29421%0.214SC..Hα-helixtrans-64-42.6172.7-74.3173.3173.4174.1-1.6111.5E46 L124 Y125 N131 A132E46-R128 IonicContact OE1-CZ 2.72Å; E46-R128 IonicContact OE1-NH1 2.99Å; E46-R128 PolarHBondContact OE1-NH1 3.46Å; E46-R128 IonicContact OE1-NH2 2.74Å; E46-R128 IonicContact OE2-CZ 3.54Å; E46-R128 IonicContact OE2-NH1 2.97Å; E46-R128 PolarHBondContact OE2-NH1 3.28Å; E46-R128 IonicContact OE2-NH2 2.67Å; E46-R128 PolarHBondContact OE2-NH2 3.14Å; L124-R128 HydrophobicContact CD1-CG 4.38Å; L124-R128 WeakPolarHBondContact O-CG 3.42Å; L124-R128 PolarHBondContact O-N 2.8Å; L124-R128 VanDerWaalsContact O-N 3.12Å; Y125-R128 PolarHBondContact O-N 3.28Å; R128-N131 PolarHBondContact O-N 3.03Å; R128-A132 PolarHBondContact O-N 2.74Å
129D97.3Very high97.1Very high45 Ų4537.8 Ų37.824%0.24123%0.232CC..Hα-helixtrans-61.2-45.9177.5-156.631.5000110.9R24 Y125 N126 N131 A132 C133R24-D129 IonicContact CZ-OD2 3.42Å; R24-D129 IonicContact NE-OD2 2.7Å; R24-D129 PolarHBondContact NE-OD2 3.44Å; R24-D129 IonicContact NH2-OD2 2.72Å; R24-D129 PolarHBondContact NH2-OD2 2.81Å; Y125-D129 PolarHBondContact O-N 2.89Å; N126-D129 PolarHBondContact O-N 2.8Å; D129-N131 VanDerWaalsContact C-N 3.28Å; D129-N131 PolarHBondContact O-N 3.04Å; D129-A132 PolarHBondContact O-N 3.27Å; D129-A132 VanDerWaalsContact O-N 3.13Å; D129-C133 PolarHBondContact O-N 3.47Å; D129-C133 VanDerWaalsContact O-O 3.06Å
130L96.9Very high96.9Very high10 Ų1040.3 Ų40.35%0.05226%0.256CS..Hα-helixtrans-64.5-27.5175.8-71.4175.4000114.3N126 L127 P135 W138 V143 Y146 F147 R175N126-L130 WeakPolarHBondContact O-CB 3.43Å; N126-L130 VanDerWaalsContact O-CG 3.27Å; N126-L130 WeakPolarHBondContact O-CG 3.49Å; N126-L130 PolarHBondContact O-N 3Å; L127-L130 PolarHBondContact O-N 3.38Å; L130-P135 VanDerWaalsContact CD2-CD 3.45Å; L130-P135 HydrophobicContact CD2-CG 3.51Å; L130-W138 HydrophobicContact CD2-CE3 4.41Å; L130-W138 HydrophobicContact CD2-CZ3 4.26Å; L130-V143 HydrophobicContact CB-CG1 4.15Å; L130-V143 HydrophobicContact CD1-CG1 4.49Å; L130-V143 HydrophobicContact CD2-CG1 4.48Å; L130-V143 HydrophobicContact CD2-CG2 4.43Å; L130-Y146 HydrophobicContact CD1-CD1 3.18Å; L130-Y146 HydrophobicContact CD1-CD2 4.3Å; L130-Y146 HydrophobicContact CD1-CE1 3.65Å; L130-Y146 HydrophobicContact CD1-CG 3.56Å; L130-F147 HydrophobicContact CB-CE2 3.9Å; L130-F147 HydrophobicContact CB-CZ 4.38Å; L130-F147 HydrophobicContact CD1-CE2 4.17Å; L130-R175 PolarHBondContact O-NH2 3.25Å
131N93.9Very high96.8Very high53 Ų5346.2 Ų46.228%0.28328%0.284SS..Hα-helixtrans-77.2-36.5172.7-83.4-22.2000111.9L127 R128 D129 F147 Q171 R175L127-N131 PolarHBondContact O-N 3.1Å; L127-N131 VanDerWaalsContact O-N 3.07Å; R128-N131 PolarHBondContact O-N 3.03Å; D129-N131 VanDerWaalsContact C-N 3.28Å; D129-N131 PolarHBondContact O-N 3.04Å; N131-F147 VanDerWaalsContact OD1-CZ 3.31Å; N131-F147 WeakPolarHBondContact OD1-CZ 3.2Å; N131-Q171 PolarHBondContact ND2-OE1 3.3Å; N131-R175 VanDerWaalsContact OD1-CZ 3.23Å; N131-R175 PolarHBondContact OD1-NE 3.47Å; N131-R175 PolarHBondContact OD1-NH2 3.24Å
132A93.9Very high96.7Very high86 Ų8650.2 Ų50.271%0.71130%0.299SS*.Hα-helixtrans-73.6-44178.500000112R128 D129R128-A132 PolarHBondContact O-N 2.74Å; D129-A132 PolarHBondContact O-N 3.27Å; D129-A132 VanDerWaalsContact O-N 3.13Å
133C94.1Very high96.6Very high46 Ų4649.3 Ų49.331%0.31129%0.294SS..  trans-147.7133.1-178.5-158.30000112.2P27 D129 P135P27-C133 WeakPolarHBondContact CD-SG 3.2Å; D129-C133 PolarHBondContact O-N 3.47Å; D129-C133 VanDerWaalsContact O-O 3.06Å; C133-P135 WeakPolarHBondContact O-CD 3.3Å
134T95Very high96.6Very high66 Ų6652.1 Ų52.141%0.40531%0.307SS..PPolyproline II helixtrans-76127.6172.6-63.50000109.4W138 V143T134-W138 HydrophobicContact CG2-CB 4.06Å; T134-V143 HydrophobicContact CG2-CG2 3.88Å
135P96.1Very high96.5Very high15 Ų1557.9 Ų57.910%0.09733%0.334CS..PPolyproline II helixtrans-59.9148.9179.2-25.234.1000112.7K25 L130 C133 G137 W138K25-P135 HydrophobicContact CB-CB 3.87Å; K25-P135 CarbonylContact O-C 3.54Å; K25-P135 WeakPolarHBondContact O-CA 3.27Å; K25-P135 WeakPolarHBondContact O-CB 3.42Å; L130-P135 VanDerWaalsContact CD2-CD 3.45Å; L130-P135 HydrophobicContact CD2-CG 3.51Å; C133-P135 WeakPolarHBondContact O-CD 3.3Å; P135-G137 PolarHBondContact O-N 2.98Å; P135-W138 HydrophobicContact CB-CB 4.39Å; P135-W138 HydrophobicContact CB-CD2 4.18Å; P135-W138 HydrophobicContact CB-CG 3.9Å; P135-W138 HydrophobicContact CG-CD2 4.13Å; P135-W138 HydrophobicContact CG-CE3 4.45Å; P135-W138 HydrophobicContact CG-CG 4.27Å; P135-W138 WeakPolarHBondContact O-CB 3.06Å; P135-W138 PolarHBondContact O-N 2.89Å
136V95.4Very high96.4Very high101 Ų10156.8 Ų56.861%0.61233%0.329SS*.THydrogen-bonded Turntrans-56127.7178.3-1790000110.2K25 P27 W138K25-V136 PolarHBondContact O-N 2.92Å; P27-V136 HydrophobicContact CB-CG2 4.48Å; P27-V136 HydrophobicContact CG-CG2 4.38Å; V136-W138 VanDerWaalsContact C-N 3.31Å; V136-W138 PolarHBondContact O-N 3.32Å
137G95.4Very high96.4Very high75 Ų7555.7 Ų55.777%0.77332%0.324SS*.THydrogen-bonded Turntrans76.29.8-18000000115.4P135P135-G137 PolarHBondContact O-N 2.98Å
138W97.4Very high96.4Very high47 Ų4759 Ų5918%0.17834%0.344CS..  trans-95.3139.4170.6-72.545.1000110.9L130 T134 P135 V136 R142 V143 Y146L130-W138 HydrophobicContact CD2-CE3 4.41Å; L130-W138 HydrophobicContact CD2-CZ3 4.26Å; T134-W138 HydrophobicContact CG2-CB 4.06Å; P135-W138 HydrophobicContact CB-CB 4.39Å; P135-W138 HydrophobicContact CB-CD2 4.18Å; P135-W138 HydrophobicContact CB-CG 3.9Å; P135-W138 HydrophobicContact CG-CD2 4.13Å; P135-W138 HydrophobicContact CG-CE3 4.45Å; P135-W138 HydrophobicContact CG-CG 4.27Å; P135-W138 WeakPolarHBondContact O-CB 3.06Å; P135-W138 PolarHBondContact O-N 2.89Å; V136-W138 VanDerWaalsContact C-N 3.31Å; V136-W138 PolarHBondContact O-N 3.32Å; W138-R142 HydrophobicContact CD2-CG 3.96Å; W138-R142 HydrophobicContact CE3-CB 4.32Å; W138-R142 HydrophobicContact CE3-CG 3.62Å; W138-R142 HydrophobicContact CG-CG 4.42Å; W138-R142 VanDerWaalsContact CZ2-NH2 3.31Å; W138-R142 HydrophobicContact CZ3-CG 4.08Å; W138-R142 VanDerWaalsContact NE1-CZ 3.34Å; W138-R142 VanDerWaalsContact NE1-NH2 3.15Å; W138-V143 HydrophobicContact CB-CG2 4.5Å; W138-V143 HydrophobicContact CE3-CG2 4.16Å; W138-Y146 AromaticContact CH2-CD2 3.91Å; W138-Y146 HydrophobicContact CH2-CD2 3.91Å; W138-Y146 HydrophobicContact CZ3-CD2 4.1Å; W138-Y146 HydrophobicContact CZ3-CG 4.37Å
139S97.1Very high96.3Very high56 Ų5656.9 Ų56.939%0.39234%0.336SS..  trans-86.6164.4168.880.20000110.9E141 R142 V143S139-E141 WeakPolarHBondContact CB-OE2 3.48Å; S139-E141 PolarHBondContact O-N 3.25Å; S139-E141 PolarHBondContact OG-N 3.2Å; S139-E141 PolarHBondContact OG-OE2 3.36Å; S139-R142 PolarHBondContact O-N 3.09Å; S139-R142 PolarHBondContact OG-N 3.28Å; S139-V143 PolarHBondContact O-N 3.16Å; S139-V143 VanDerWaalsContact O-N 3.09Å
140A95.6Very high96.3Very high69 Ų6954.8 Ų54.857%0.5733%0.325SS*.Hα-helixtrans-60.4-36.5175.900000112V143 Q144A140-V143 PolarHBondContact O-N 2.92Å; A140-Q144 PolarHBondContact O-N 3.46Å
141E96.9Very high96.4Very high125 Ų12554.4 Ų54.458%0.58432%0.323SS*.Hα-helixtrans-62.4-45.4176.4-5772.6-156.100110.5S139 V143 Q144 E145S139-E141 WeakPolarHBondContact CB-OE2 3.48Å; S139-E141 PolarHBondContact O-N 3.25Å; S139-E141 PolarHBondContact OG-N 3.2Å; S139-E141 PolarHBondContact OG-OE2 3.36Å; E141-V143 VanDerWaalsContact C-N 3.29Å; E141-V143 PolarHBondContact O-N 3.4Å; E141-Q144 CarbonylContact O-C 3.59Å; E141-Q144 WeakPolarHBondContact O-CB 3.27Å; E141-Q144 PolarHBondContact O-N 2.67Å; E141-Q144 VanDerWaalsContact O-N 3.08Å; E141-E145 WeakPolarHBondContact O-CG 3.43Å; E141-E145 PolarHBondContact O-N 3.46Å
142R96.4Very high96.5Very high84 Ų8456.2 Ų56.232%0.31733%0.33SS..Hα-helixtrans-64.1-34.9177.8-175.4178.2167.1171-3.6112.4W138 S139 Y146W138-R142 HydrophobicContact CD2-CG 3.96Å; W138-R142 HydrophobicContact CE3-CB 4.32Å; W138-R142 HydrophobicContact CE3-CG 3.62Å; W138-R142 HydrophobicContact CG-CG 4.42Å; W138-R142 VanDerWaalsContact CZ2-NH2 3.31Å; W138-R142 HydrophobicContact CZ3-CG 4.08Å; W138-R142 VanDerWaalsContact NE1-CZ 3.34Å; W138-R142 VanDerWaalsContact NE1-NH2 3.15Å; S139-R142 PolarHBondContact O-N 3.09Å; S139-R142 PolarHBondContact OG-N 3.28Å; R142-Y146 PolarHBondContact O-N 3.37Å; R142-Y146 VanDerWaalsContact O-N 3.16Å
143V97.1Very high96.6Very high0 Ų052.1 Ų52.10%030%0.296CS..Hα-helixtrans-63.3-48.7171.4177.40000109.3L130 T134 W138 S139 A140 E141 E145 Y146 F147L130-V143 HydrophobicContact CB-CG1 4.15Å; L130-V143 HydrophobicContact CD1-CG1 4.49Å; L130-V143 HydrophobicContact CD2-CG1 4.48Å; L130-V143 HydrophobicContact CD2-CG2 4.43Å; T134-V143 HydrophobicContact CG2-CG2 3.88Å; W138-V143 HydrophobicContact CB-CG2 4.5Å; W138-V143 HydrophobicContact CE3-CG2 4.16Å; S139-V143 PolarHBondContact O-N 3.16Å; S139-V143 VanDerWaalsContact O-N 3.09Å; A140-V143 PolarHBondContact O-N 2.92Å; E141-V143 VanDerWaalsContact C-N 3.29Å; E141-V143 PolarHBondContact O-N 3.4Å; V143-E145 VanDerWaalsContact C-N 3.34Å; V143-E145 PolarHBondContact O-N 2.93Å; V143-Y146 WeakPolarHBondContact O-CA 3.48Å; V143-Y146 VanDerWaalsContact O-CB 3.25Å; V143-Y146 WeakPolarHBondContact O-CB 3.48Å; V143-Y146 PolarHBondContact O-N 3.47Å; V143-F147 HydrophobicContact CG1-CD2 3.99Å; V143-F147 HydrophobicContact CG1-CE2 3.76Å; V143-F147 WeakPolarHBondContact O-CD2 3.36Å; V143-F147 PolarHBondContact O-N 2.94Å; V143-F147 VanDerWaalsContact O-N 3.12Å
144Q97.4Very high96.7Very high64 Ų6450 Ų5030%0.29928%0.281SS..Hα-helixtrans-59.4-42.2178.3-170.664.916.100112.7A140 E141 Y146 F147 V148 R175A140-Q144 PolarHBondContact O-N 3.46Å; E141-Q144 CarbonylContact O-C 3.59Å; E141-Q144 WeakPolarHBondContact O-CB 3.27Å; E141-Q144 PolarHBondContact O-N 2.67Å; E141-Q144 VanDerWaalsContact O-N 3.08Å; Q144-Y146 PolarHBondContact O-N 2.89Å; Q144-F147 WeakPolarHBondContact O-CB 3.39Å; Q144-F147 PolarHBondContact O-N 3.36Å; Q144-V148 WeakPolarHBondContact O-CG2 3.36Å; Q144-V148 PolarHBondContact O-N 3.36Å; Q144-R175 PolarHBondContact NE2-O 3.48Å
145E96.8Very high96.8Very high121 Ų12152.2 Ų52.257%0.56529%0.286SS*.Hα-helixtrans-58.2-34.1173.5-73.1173.5-178.100112.5E141 V143 W149E141-E145 WeakPolarHBondContact O-CG 3.43Å; E141-E145 PolarHBondContact O-N 3.46Å; V143-E145 VanDerWaalsContact C-N 3.34Å; V143-E145 PolarHBondContact O-N 2.93Å; E145-W149 WeakPolarHBondContact O-CB 3.48Å; E145-W149 PolarHBondContact O-N 3.23Å
146Y97.5Very high96.7Very high28 Ų2853.2 Ų53.211%0.1129%0.293CS..Hα-helixtrans-67.1-44173.8-171.1-79.6000111.4N126 L127 L130 W138 R142 V143 Q144 W149 A150N126-Y146 HydrophobicContact CB-CE1 4.3Å; N126-Y146 WeakPolarHBondContact CB-OH 3.18Å; L127-Y146 HydrophobicContact CD2-CD1 3.86Å; L127-Y146 HydrophobicContact CD2-CE1 3.92Å; L127-Y146 HydrophobicContact CG-CE1 4.48Å; L130-Y146 HydrophobicContact CD1-CD1 3.18Å; L130-Y146 HydrophobicContact CD1-CD2 4.3Å; L130-Y146 HydrophobicContact CD1-CE1 3.65Å; L130-Y146 HydrophobicContact CD1-CG 3.56Å; W138-Y146 AromaticContact CH2-CD2 3.91Å; W138-Y146 HydrophobicContact CH2-CD2 3.91Å; W138-Y146 HydrophobicContact CZ3-CD2 4.1Å; W138-Y146 HydrophobicContact CZ3-CG 4.37Å; R142-Y146 PolarHBondContact O-N 3.37Å; R142-Y146 VanDerWaalsContact O-N 3.16Å; V143-Y146 WeakPolarHBondContact O-CA 3.48Å; V143-Y146 VanDerWaalsContact O-CB 3.25Å; V143-Y146 WeakPolarHBondContact O-CB 3.48Å; V143-Y146 PolarHBondContact O-N 3.47Å; Q144-Y146 PolarHBondContact O-N 2.89Å; Y146-W149 HydrophobicContact CD2-CE3 4.1Å; Y146-W149 HydrophobicContact CD2-CZ3 4.11Å; Y146-W149 HydrophobicContact CE1-CZ3 4.29Å; Y146-W149 HydrophobicContact CE2-CE3 4.01Å; Y146-W149 AromaticContact CE2-CZ3 3.55Å; Y146-W149 HydrophobicContact CE2-CZ3 3.55Å; Y146-W149 HydrophobicContact CG-CE3 4.39Å; Y146-W149 AromaticContact CZ-CZ3 3.66Å; Y146-W149 PolarHBondContact O-N 3.36Å; Y146-A150 HydrophobicContact CD1-CB 4.38Å; Y146-A150 HydrophobicContact CE1-CB 4.27Å; Y146-A150 VanDerWaalsContact O-CB 3.24Å; Y146-A150 WeakPolarHBondContact O-CB 3.37Å; Y146-A150 PolarHBondContact O-N 2.87Å
147F98.2Very high96.7Very high0 Ų048.4 Ų48.40%026%0.264CS..Hα-helixtrans-60.6-44.7176-83.5-101.4000111.6L127 L130 N131 V143 Q144 A150 A151 Q171 F172 R175 V177L127-F147 HydrophobicContact CB-CE1 4.14Å; L127-F147 HydrophobicContact CB-CZ 4.22Å; L127-F147 HydrophobicContact CD2-CD1 3.6Å; L127-F147 HydrophobicContact CD2-CD2 4.03Å; L127-F147 HydrophobicContact CD2-CE1 3.62Å; L127-F147 HydrophobicContact CD2-CE2 4.05Å; L127-F147 HydrophobicContact CD2-CG 3.79Å; L127-F147 HydrophobicContact CD2-CZ 3.84Å; L127-F147 HydrophobicContact CG-CE1 4.37Å; L130-F147 HydrophobicContact CB-CE2 3.9Å; L130-F147 HydrophobicContact CB-CZ 4.38Å; L130-F147 HydrophobicContact CD1-CE2 4.17Å; N131-F147 VanDerWaalsContact OD1-CZ 3.31Å; N131-F147 WeakPolarHBondContact OD1-CZ 3.2Å; V143-F147 HydrophobicContact CG1-CD2 3.99Å; V143-F147 HydrophobicContact CG1-CE2 3.76Å; V143-F147 WeakPolarHBondContact O-CD2 3.36Å; V143-F147 PolarHBondContact O-N 2.94Å; V143-F147 VanDerWaalsContact O-N 3.12Å; Q144-F147 WeakPolarHBondContact O-CB 3.39Å; Q144-F147 PolarHBondContact O-N 3.36Å; F147-A150 PolarHBondContact O-N 3.1Å; F147-A151 PolarHBondContact O-N 3.45Å; F147-Q171 HydrophobicContact CE1-CB 4.42Å; F147-F172 HydrophobicContact CD1-CD1 4.12Å; F147-F172 HydrophobicContact CD1-CE1 4.48Å; F147-F172 VanDerWaalsContact O-CE1 3.29Å; F147-F172 WeakPolarHBondContact O-CE1 3.42Å; F147-R175 HydrophobicContact CD1-CB 4.02Å; F147-R175 HydrophobicContact CD1-CG 3.71Å; F147-R175 HydrophobicContact CD2-CG 4.47Å; F147-R175 HydrophobicContact CE1-CB 4.46Å; F147-R175 HydrophobicContact CE1-CG 3.69Å; F147-R175 HydrophobicContact CE2-CG 4.45Å; F147-R175 HydrophobicContact CG-CB 4.36Å; F147-R175 HydrophobicContact CG-CG 4.14Å; F147-R175 HydrophobicContact CZ-CG 4.09Å; F147-V177 HydrophobicContact CB-CG2 4.11Å
148V97.6Very high96.6Very high71 Ų7149.6 Ų49.643%0.4325%0.248SC..Hα-helixtrans-61.4-48.5177.3174.20000111Q144 A150 A151 E152 V177Q144-V148 WeakPolarHBondContact O-CG2 3.36Å; Q144-V148 PolarHBondContact O-N 3.36Å; V148-A150 PolarHBondContact O-N 3.44Å; V148-A151 PolarHBondContact O-N 2.83Å; V148-E152 PolarHBondContact O-N 2.97Å; V148-V177 HydrophobicContact CG2-CG2 4.08Å
149W97.1Very high96.6Very high33 Ų3350.6 Ų50.613%0.12527%0.272CS..Hα-helixtrans-62.7-41.8177.3165.671.6000112.7K101 Q104 K123 E145 Y146 A151 E152 V153K101-W149 HydrophobicContact CB-CZ2 4.45Å; K101-W149 HydrophobicContact CD-CD2 4.07Å; K101-W149 HydrophobicContact CD-CG 4.02Å; K101-W149 HydrophobicContact CG-CD2 4.21Å; K101-W149 HydrophobicContact CG-CG 4.45Å; K101-W149 HydrophobicContact CG-CZ2 3.94Å; K101-W149 PolarHBondContact O-NE1 2.94Å; Q104-W149 HydrophobicContact CB-CZ2 4.2Å; Q104-W149 HydrophobicContact CG-CZ2 4.37Å; Q104-W149 VanDerWaalsContact OE1-CZ2 3.26Å; K123-W149 HydrophobicContact CD-CZ3 4.31Å; K123-W149 VanDerWaalsContact CE-CH2 3.47Å; E145-W149 WeakPolarHBondContact O-CB 3.48Å; E145-W149 PolarHBondContact O-N 3.23Å; Y146-W149 HydrophobicContact CD2-CE3 4.1Å; Y146-W149 HydrophobicContact CD2-CZ3 4.11Å; Y146-W149 HydrophobicContact CE1-CZ3 4.29Å; Y146-W149 HydrophobicContact CE2-CE3 4.01Å; Y146-W149 AromaticContact CE2-CZ3 3.55Å; Y146-W149 HydrophobicContact CE2-CZ3 3.55Å; Y146-W149 HydrophobicContact CG-CE3 4.39Å; Y146-W149 AromaticContact CZ-CZ3 3.66Å; Y146-W149 PolarHBondContact O-N 3.36Å; W149-A151 VanDerWaalsContact C-N 3.28Å; W149-A151 PolarHBondContact O-N 3.08Å; W149-E152 PolarHBondContact O-N 3.07Å; W149-V153 HydrophobicContact CZ2-CG2 4.09Å; W149-V153 PolarHBondContact O-N 3.12Å
150A97.6Very high96.6Very high0 Ų048.7 Ų48.70%026%0.258CS..Hα-helixtrans-63.8-35.5178.400000111.6K123 L127 Y146 F147 V148 V153 V154 F172K123-A150 HydrophobicContact CD-CB 4.17Å; L127-A150 HydrophobicContact CD1-CB 4.25Å; L127-A150 HydrophobicContact CD2-CB 3.97Å; L127-A150 HydrophobicContact CG-CB 4.45Å; Y146-A150 HydrophobicContact CD1-CB 4.38Å; Y146-A150 HydrophobicContact CE1-CB 4.27Å; Y146-A150 VanDerWaalsContact O-CB 3.24Å; Y146-A150 WeakPolarHBondContact O-CB 3.37Å; Y146-A150 PolarHBondContact O-N 2.87Å; F147-A150 PolarHBondContact O-N 3.1Å; V148-A150 PolarHBondContact O-N 3.44Å; A150-V153 PolarHBondContact O-N 3.03Å; A150-V154 WeakPolarHBondContact O-CB 3Å; A150-V154 VanDerWaalsContact O-CG2 3.25Å; A150-V154 WeakPolarHBondContact O-CG2 3.43Å; A150-V154 PolarHBondContact O-N 3.02Å; A150-F172 HydrophobicContact CB-CE1 4Å; A150-F172 HydrophobicContact CB-CZ 4.11Å
151A97.6Very high96.8Very high3 Ų346.6 Ų46.63%0.02524%0.238CC..Hα-helixtrans-62.9-42.4175.400000112F147 V148 W149 V153 V154 K155 F172 V177F147-A151 PolarHBondContact O-N 3.45Å; V148-A151 PolarHBondContact O-N 2.83Å; W149-A151 VanDerWaalsContact C-N 3.28Å; W149-A151 PolarHBondContact O-N 3.08Å; A151-V153 VanDerWaalsContact C-N 3.34Å; A151-V153 PolarHBondContact O-N 3.48Å; A151-V154 PolarHBondContact O-N 3.04Å; A151-K155 WeakPolarHBondContact O-CB 3.3Å; A151-K155 PolarHBondContact O-N 3.37Å; A151-F172 HydrophobicContact CB-CD1 4.01Å; A151-F172 HydrophobicContact CB-CE1 3.8Å; A151-F172 HydrophobicContact CB-CE2 4.35Å; A151-F172 HydrophobicContact CB-CG 4.4Å; A151-F172 HydrophobicContact CB-CZ 3.98Å; A151-V177 HydrophobicContact CB-CG1 3.54Å
152E96.7Very high96.8Very high91 Ų9145.4 Ų45.443%0.42524%0.243SC..Hα-helixtrans-61.1-41.6175.4-66.2-59.2133.700112.1V105 V148 W149V105-E152 HydrophobicContact CG1-CB 4.37Å; V105-E152 HydrophobicContact CG2-CB 4Å; V148-E152 PolarHBondContact O-N 2.97Å; W149-E152 PolarHBondContact O-N 3.07Å
153V95.9Very high96.9Very high0 Ų043 Ų430%024%0.241CC..Hα-helixtrans-64.5-49.6174.7177.90000110.5Q104 V105 A108 W149 A150 A151 K155 S156 L157Q104-V153 HydrophobicContact CB-CG2 4.11Å; V105-V153 HydrophobicContact CG2-CG2 3.63Å; A108-V153 HydrophobicContact CB-CG1 4.48Å; W149-V153 HydrophobicContact CZ2-CG2 4.09Å; W149-V153 PolarHBondContact O-N 3.12Å; A150-V153 PolarHBondContact O-N 3.03Å; A151-V153 VanDerWaalsContact C-N 3.34Å; A151-V153 PolarHBondContact O-N 3.48Å; V153-K155 VanDerWaalsContact C-N 3.3Å; V153-K155 PolarHBondContact O-N 3.2Å; V153-S156 WeakPolarHBondContact O-CB 3.39Å; V153-S156 PolarHBondContact O-N 2.93Å; V153-S156 VanDerWaalsContact O-N 3.13Å; V153-L157 HydrophobicContact CG1-CD1 3.97Å; V153-L157 WeakPolarHBondContact O-CG 3.29Å; V153-L157 PolarHBondContact O-N 2.92Å
154V96.8Very high97Very high0 Ų043 Ų430%024%0.241CC..Hα-helixtrans-63.9-34.9-176.8171.50000111.8L120 K123 A150 A151 S156 L157 K158 L168 F172 L179L120-V154 HydrophobicContact CD2-CG1 4.02Å; L120-V154 HydrophobicContact CD2-CG2 4.38Å; K123-V154 HydrophobicContact CB-CG2 4.21Å; K123-V154 HydrophobicContact CG-CG2 4.39Å; A150-V154 WeakPolarHBondContact O-CB 3Å; A150-V154 VanDerWaalsContact O-CG2 3.25Å; A150-V154 WeakPolarHBondContact O-CG2 3.43Å; A150-V154 PolarHBondContact O-N 3.02Å; A151-V154 PolarHBondContact O-N 3.04Å; V154-S156 PolarHBondContact O-N 3.16Å; V154-L157 CarbonylContact O-C 3.59Å; V154-L157 WeakPolarHBondContact O-CA 3.4Å; V154-L157 WeakPolarHBondContact O-CB 3.5Å; V154-L157 PolarHBondContact O-N 2.9Å; V154-K158 PolarHBondContact O-N 3.42Å; V154-L168 HydrophobicContact CG1-CB 4.38Å; V154-L168 HydrophobicContact CG1-CD1 3.85Å; V154-L168 HydrophobicContact CG2-CD1 3.93Å; V154-L168 HydrophobicContact CG2-CD2 4.22Å; V154-F172 HydrophobicContact CB-CE2 4.17Å; V154-F172 HydrophobicContact CB-CZ 4.37Å; V154-F172 HydrophobicContact CG1-CE2 4.24Å; V154-F172 HydrophobicContact CG2-CE2 4.19Å; V154-F172 HydrophobicContact CG2-CZ 4.09Å; V154-L179 HydrophobicContact CB-CD2 3.99Å; V154-L179 HydrophobicContact CG1-CD1 4.31Å; V154-L179 HydrophobicContact CG1-CD2 3.63Å
155K95.8Very high97Very high114 Ų11441.5 Ų41.550%0.49623%0.234SC..Hα-helixtrans-56.6-39.5174.9-174.6176.6-178.5178.60112.2A151 V153 L157 L179A151-K155 WeakPolarHBondContact O-CB 3.3Å; A151-K155 PolarHBondContact O-N 3.37Å; V153-K155 VanDerWaalsContact C-N 3.3Å; V153-K155 PolarHBondContact O-N 3.2Å; K155-L157 PolarHBondContact O-N 3.35Å; K155-L179 HydrophobicContact CB-CD2 4.29Å
156S93.5Very high97.1Very high36 Ų3641.7 Ų41.725%0.25224%0.235SC..THydrogen-bonded Turntrans-73.8-10.7175.1-69.50000114.4V153 V154V153-S156 WeakPolarHBondContact O-CB 3.39Å; V153-S156 PolarHBondContact O-N 2.93Å; V153-S156 VanDerWaalsContact O-N 3.13Å; V154-S156 PolarHBondContact O-N 3.16Å
157L95.6Very high97.1Very high0 Ų043.5 Ų43.50%024%0.243CC..THydrogen-bonded Turntrans-105-3.6-179.7-59.6173.8000113.2A108 K116 K119 L120 V153 V154 K155 T160A108-L157 HydrophobicContact CB-CD2 3.7Å; A108-L157 HydrophobicContact CB-CG 4.09Å; K116-L157 HydrophobicContact CB-CD2 4.06Å; K116-L157 HydrophobicContact CD-CD2 4.29Å; K116-L157 HydrophobicContact CG-CD2 3.66Å; K119-L157 HydrophobicContact CB-CD1 3.72Å; L120-L157 HydrophobicContact CD2-CB 3.73Å; L120-L157 HydrophobicContact CD2-CD1 3.99Å; L120-L157 HydrophobicContact CG-CB 4.09Å; L120-L157 HydrophobicContact CG-CD1 4.19Å; V153-L157 HydrophobicContact CG1-CD1 3.97Å; V153-L157 WeakPolarHBondContact O-CG 3.29Å; V153-L157 PolarHBondContact O-N 2.92Å; V154-L157 CarbonylContact O-C 3.59Å; V154-L157 WeakPolarHBondContact O-CA 3.4Å; V154-L157 WeakPolarHBondContact O-CB 3.5Å; V154-L157 PolarHBondContact O-N 2.9Å; K155-L157 PolarHBondContact O-N 3.35Å; L157-T160 WeakPolarHBondContact O-CB 3.49Å; L157-T160 PolarHBondContact O-OG1 2.96Å
158K94.8Very high97.1Very high99 Ų9943.5 Ų43.543%0.4324%0.243SC..THydrogen-bonded Turntrans-55.4149.6-179.1-79.7-179.7168.8168.10112.8V154 L179V154-K158 PolarHBondContact O-N 3.42Å; K158-L179 PolarHBondContact NZ-O 3.3Å; K158-L179 PolarHBondContact NZ-OXT 2.7Å
159G96.6Very high97.1Very high68 Ų6843.9 Ų43.970%0.70124%0.241SC*.THydrogen-bonded Turntrans81.513.7-177.200000114E165G159-E165 VanDerWaalsContact N-CD 3.33Å; G159-E165 PolarHBondContact N-OE1 3.19Å; G159-E165 PolarHBondContact N-OE2 3.13Å
160T97.7Very high97.1Very high16 Ų1645.7 Ų45.710%0.09825%0.253CS..SBendtrans-94.8-49.4179.3-58.20000111.5Q113 K116 L117 L120 L157 E165Q113-T160 VanDerWaalsContact NE2-CA 3.32Å; Q113-T160 PolarHBondContact NE2-O 2.88Å; K116-T160 HydrophobicContact CB-CG2 3.58Å; K116-T160 WeakPolarHBondContact CD-OG1 3.24Å; L117-T160 HydrophobicContact CD2-CG2 3.89Å; L117-T160 HydrophobicContact CG-CG2 3.9Å; L120-T160 HydrophobicContact CD1-CG2 3.99Å; L157-T160 WeakPolarHBondContact O-CB 3.49Å; L157-T160 PolarHBondContact O-OG1 2.96Å; T160-E165 PolarHBondContact N-OE1 2.68Å
161N98.5Very high97.1Very high25 Ų2546.7 Ų46.713%0.13426%0.258CS..  trans-154.3105.3-179.1-172.9-67.4000109.9G47 L117 L120 A163 L164 E165G47-N161 PolarHBondContact O-ND2 2.99Å; L117-N161 HydrophobicContact CD2-CB 3.69Å; L120-N161 HydrophobicContact CD1-CB 4.48Å; N161-A163 VanDerWaalsContact C-N 3.27Å; N161-A163 PolarHBondContact O-N 3.33Å; N161-A163 PolarHBondContact OD1-N 3.45Å; N161-L164 HydrophobicContact CB-CB 4.32Å; N161-L164 HydrophobicContact CB-CD1 4.24Å; N161-L164 HydrophobicContact CB-CG 4.3Å; N161-L164 PolarHBondContact O-N 3.05Å; N161-L164 WeakPolarHBondContact OD1-CG 3.5Å; N161-L164 PolarHBondContact OD1-N 3.4Å; N161-E165 PolarHBondContact N-OE1 2.83Å; N161-E165 WeakPolarHBondContact O-CB 3.48Å; N161-E165 VanDerWaalsContact O-CG 3.26Å; N161-E165 WeakPolarHBondContact O-CG 3.26Å; N161-E165 PolarHBondContact O-N 3.22Å
162S98Very high97.1Very high100 Ų10046.6 Ų46.670%0.69926%0.257SS*.Hα-helixtrans-60.1-35.6-174.256.50000113.3E165 E166S162-E165 PolarHBondContact O-N 2.98Å; S162-E166 WeakPolarHBondContact O-CB 3.31Å; S162-E166 PolarHBondContact O-N 3.31Å
163A98.3Very high97Very high33 Ų3348 Ų4827%0.27326%0.261SS..Hα-helixtrans-68.2-41.2-17900000112.1E46 N161 K167E46-A163 WeakPolarHBondContact O-CB 3.45Å; N161-A163 VanDerWaalsContact C-N 3.27Å; N161-A163 PolarHBondContact O-N 3.33Å; N161-A163 PolarHBondContact OD1-N 3.45Å; A163-K167 VanDerWaalsContact O-CD 3.26Å; A163-K167 WeakPolarHBondContact O-CD 3.43Å; A163-K167 VanDerWaalsContact O-CG 3.31Å; A163-K167 WeakPolarHBondContact O-CG 3.26Å; A163-K167 PolarHBondContact O-N 3.25Å
164L98.6Very high96.9Very high0 Ų054.4 Ų54.40%029%0.291CS..Hα-helixtrans-71-39.4175.1-62.6-178.3000111.7I42 L43 E46 L120 A121 L124 N161 K167 L168I42-L164 HydrophobicContact CG2-CD2 3.57Å; L43-L164 HydrophobicContact CD2-CD1 4Å; E46-L164 HydrophobicContact CB-CD2 4.19Å; L120-L164 HydrophobicContact CB-CB 4.49Å; L120-L164 HydrophobicContact CB-CD1 4.26Å; A121-L164 HydrophobicContact CB-CD1 4.48Å; L124-L164 HydrophobicContact CD2-CD2 4.1Å; N161-L164 HydrophobicContact CB-CB 4.32Å; N161-L164 HydrophobicContact CB-CD1 4.24Å; N161-L164 HydrophobicContact CB-CG 4.3Å; N161-L164 PolarHBondContact O-N 3.05Å; N161-L164 WeakPolarHBondContact OD1-CG 3.5Å; N161-L164 PolarHBondContact OD1-N 3.4Å; L164-K167 PolarHBondContact O-N 3.25Å; L164-L168 WeakPolarHBondContact O-CB 3.35Å; L164-L168 WeakPolarHBondContact O-CG 3.45Å; L164-L168 PolarHBondContact O-N 2.75Å
165E98.3Very high96.7Very high33 Ų3357.6 Ų57.615%0.15430%0.303CS..Hα-helixtrans-61.9-43.5178.5-73.2167.2-140.800112.1L120 G159 T160 N161 S162 K167 L168 E169L120-E165 HydrophobicContact CD1-CG 4.31Å; L120-E165 HydrophobicContact CD2-CG 4.47Å; G159-E165 VanDerWaalsContact N-CD 3.33Å; G159-E165 PolarHBondContact N-OE1 3.19Å; G159-E165 PolarHBondContact N-OE2 3.13Å; T160-E165 PolarHBondContact N-OE1 2.68Å; N161-E165 PolarHBondContact N-OE1 2.83Å; N161-E165 WeakPolarHBondContact O-CB 3.48Å; N161-E165 VanDerWaalsContact O-CG 3.26Å; N161-E165 WeakPolarHBondContact O-CG 3.26Å; N161-E165 PolarHBondContact O-N 3.22Å; S162-E165 PolarHBondContact O-N 2.98Å; E165-K167 PolarHBondContact O-N 2.96Å; E165-L168 WeakPolarHBondContact O-CB 3.31Å; E165-L168 PolarHBondContact O-N 2.93Å; E165-E169 WeakPolarHBondContact O-CB 3.42Å; E165-E169 PolarHBondContact O-N 2.86Å
166E98Very high96.7Very high125 Ų12555.6 Ų55.658%0.58432%0.315SS*.Hα-helixtrans-60.2-45.4175.3-176.3179.2-174.400111.6S162 L168 E169 D170S162-E166 WeakPolarHBondContact O-CB 3.31Å; S162-E166 PolarHBondContact O-N 3.31Å; E166-L168 VanDerWaalsContact C-N 3.33Å; E166-L168 PolarHBondContact O-N 3.2Å; E166-E169 WeakPolarHBondContact O-CB 3.19Å; E166-E169 PolarHBondContact O-N 2.88Å; E166-E169 VanDerWaalsContact O-N 3.16Å; E166-D170 PolarHBondContact O-N 2.77Å
167K98.3Very high96.7Very high66 Ų6654.6 Ų54.629%0.28731%0.307SS..Hα-helixtrans-64.9-37178.4-69.9162.4-177.2-76.60112.6E46 L124 A163 L164 E165 D170 Q171E46-K167 HydrophobicContact CB-CD 4.2Å; E46-K167 VanDerWaalsContact OE2-CD 3.25Å; E46-K167 WeakPolarHBondContact OE2-CD 3.5Å; E46-K167 VanDerWaalsContact OE2-CE 3.25Å; E46-K167 WeakPolarHBondContact OE2-CE 3.42Å; E46-K167 IonicContact OE2-NZ 3.86Å; E46-K167 PolarHBondContact OE2-NZ 3.22Å; L124-K167 HydrophobicContact CD1-CB 4.09Å; L124-K167 HydrophobicContact CD2-CB 3.87Å; L124-K167 HydrophobicContact CD2-CD 4.2Å; A163-K167 VanDerWaalsContact O-CD 3.26Å; A163-K167 WeakPolarHBondContact O-CD 3.43Å; A163-K167 VanDerWaalsContact O-CG 3.31Å; A163-K167 WeakPolarHBondContact O-CG 3.26Å; A163-K167 PolarHBondContact O-N 3.25Å; L164-K167 PolarHBondContact O-N 3.25Å; E165-K167 PolarHBondContact O-N 2.96Å; K167-D170 PolarHBondContact O-N 2.75Å; K167-Q171 WeakPolarHBondContact O-CG 3.35Å; K167-Q171 PolarHBondContact O-N 2.72Å
168L98.3Very high96.3Very high0 Ų063.3 Ų63.30%035%0.348CS..Hα-helixtrans-64.8-44.3173-79.7162.8000110.6L120 K123 L124 L127 V154 L164 E165 E166 D170 Q171 F172L120-L168 HydrophobicContact CB-CD1 4.27Å; L120-L168 HydrophobicContact CD2-CD1 3.54Å; K123-L168 HydrophobicContact CB-CD2 4.26Å; L124-L168 HydrophobicContact CB-CD2 3.82Å; L124-L168 HydrophobicContact CB-CG 4.09Å; L124-L168 HydrophobicContact CD1-CD2 4.11Å; L124-L168 HydrophobicContact CD1-CG 4.19Å; L127-L168 HydrophobicContact CD1-CD2 3.67Å; V154-L168 HydrophobicContact CG1-CB 4.38Å; V154-L168 HydrophobicContact CG1-CD1 3.85Å; V154-L168 HydrophobicContact CG2-CD1 3.93Å; V154-L168 HydrophobicContact CG2-CD2 4.22Å; L164-L168 WeakPolarHBondContact O-CB 3.35Å; L164-L168 WeakPolarHBondContact O-CG 3.45Å; L164-L168 PolarHBondContact O-N 2.75Å; E165-L168 WeakPolarHBondContact O-CB 3.31Å; E165-L168 PolarHBondContact O-N 2.93Å; E166-L168 VanDerWaalsContact C-N 3.33Å; E166-L168 PolarHBondContact O-N 3.2Å; L168-D170 VanDerWaalsContact C-N 3.27Å; L168-D170 PolarHBondContact O-N 3.07Å; L168-Q171 WeakPolarHBondContact O-CB 3.3Å; L168-Q171 PolarHBondContact O-N 3.48Å; L168-F172 HydrophobicContact CB-CD2 4.45Å; L168-F172 HydrophobicContact CB-CE2 4.03Å; L168-F172 HydrophobicContact CD2-CE2 4.36Å; L168-F172 WeakPolarHBondContact O-CD2 3.39Å; L168-F172 PolarHBondContact O-N 3.12Å
169E97.4Very high95.6Very high80 Ų8061 Ų6137%0.37434%0.34SS..Hα-helixtrans-57.6-40.5176.2-163.2-176.3159.400112.2E165 E166 Q171 F172 K173 L179E165-E169 WeakPolarHBondContact O-CB 3.42Å; E165-E169 PolarHBondContact O-N 2.86Å; E166-E169 WeakPolarHBondContact O-CB 3.19Å; E166-E169 PolarHBondContact O-N 2.88Å; E166-E169 VanDerWaalsContact O-N 3.16Å; E169-Q171 PolarHBondContact O-N 2.96Å; E169-F172 PolarHBondContact O-N 2.98Å; E169-K173 VanDerWaalsContact CD-NZ 3.29Å; E169-K173 HydrophobicContact CG-CD 4.32Å; E169-K173 WeakPolarHBondContact O-CB 3.45Å; E169-K173 WeakPolarHBondContact O-CG 3.25Å; E169-K173 PolarHBondContact O-N 2.99Å; E169-K173 WeakPolarHBondContact OE1-CE 3.03Å; E169-K173 IonicContact OE1-NZ 3.3Å; E169-K173 PolarHBondContact OE1-NZ 3.11Å; E169-L179 HydrophobicContact CB-CD1 3.9Å; E169-L179 HydrophobicContact CG-CD1 4.1Å
170D97Very high95.5Very high70 Ų7060.6 Ų60.637%0.37432%0.322SS..Hα-helixtrans-61.4-41.8173.4-71.2-20.9000112.6E166 K167 L168 F172 Q174E166-D170 PolarHBondContact O-N 2.77Å; K167-D170 PolarHBondContact O-N 2.75Å; L168-D170 VanDerWaalsContact C-N 3.27Å; L168-D170 PolarHBondContact O-N 3.07Å; D170-F172 VanDerWaalsContact C-N 3.34Å; D170-F172 PolarHBondContact O-N 3.19Å; D170-Q174 VanDerWaalsContact O-CG 3.3Å; D170-Q174 WeakPolarHBondContact O-CG 3.25Å; D170-Q174 PolarHBondContact O-N 3.42Å
171Q97.5Very high95.4Very high22 Ų2262.9 Ų62.910%0.10333%0.333CS..Hα-helixtrans-63.2-40.2176.4-62.3-50.6-75.800111.8L124 L127 N131 F147 K167 L168 E169L124-Q171 HydrophobicContact CD1-CG 3.93Å; L127-Q171 HydrophobicContact CB-CB 4.33Å; L127-Q171 HydrophobicContact CB-CG 4.37Å; N131-Q171 PolarHBondContact ND2-OE1 3.3Å; F147-Q171 HydrophobicContact CE1-CB 4.42Å; K167-Q171 WeakPolarHBondContact O-CG 3.35Å; K167-Q171 PolarHBondContact O-N 2.72Å; L168-Q171 WeakPolarHBondContact O-CB 3.3Å; L168-Q171 PolarHBondContact O-N 3.48Å; E169-Q171 PolarHBondContact O-N 2.96Å
172F97.6Very high95.2Very high1 Ų165.1 Ų65.10%0.00434%0.344CS..Hα-helixtrans-71.3-41.7179.6-64.7-55.6000112.4L127 F147 A150 A151 V154 L168 E169 D170 Q174 R175 G176 V177 L179L127-F172 HydrophobicContact CD1-CD1 4.43Å; L127-F172 HydrophobicContact CD1-CE1 3.58Å; L127-F172 HydrophobicContact CD1-CE2 4.35Å; L127-F172 HydrophobicContact CD1-CZ 3.55Å; L127-F172 HydrophobicContact CD2-CE1 4.27Å; F147-F172 HydrophobicContact CD1-CD1 4.12Å; F147-F172 HydrophobicContact CD1-CE1 4.48Å; F147-F172 VanDerWaalsContact O-CE1 3.29Å; F147-F172 WeakPolarHBondContact O-CE1 3.42Å; A150-F172 HydrophobicContact CB-CE1 4Å; A150-F172 HydrophobicContact CB-CZ 4.11Å; A151-F172 HydrophobicContact CB-CD1 4.01Å; A151-F172 HydrophobicContact CB-CE1 3.8Å; A151-F172 HydrophobicContact CB-CE2 4.35Å; A151-F172 HydrophobicContact CB-CG 4.4Å; A151-F172 HydrophobicContact CB-CZ 3.98Å; V154-F172 HydrophobicContact CB-CE2 4.17Å; V154-F172 HydrophobicContact CB-CZ 4.37Å; V154-F172 HydrophobicContact CG1-CE2 4.24Å; V154-F172 HydrophobicContact CG2-CE2 4.19Å; V154-F172 HydrophobicContact CG2-CZ 4.09Å; L168-F172 HydrophobicContact CB-CD2 4.45Å; L168-F172 HydrophobicContact CB-CE2 4.03Å; L168-F172 HydrophobicContact CD2-CE2 4.36Å; L168-F172 WeakPolarHBondContact O-CD2 3.39Å; L168-F172 PolarHBondContact O-N 3.12Å; E169-F172 PolarHBondContact O-N 2.98Å; D170-F172 VanDerWaalsContact C-N 3.34Å; D170-F172 PolarHBondContact O-N 3.19Å; F172-Q174 VanDerWaalsContact C-N 3.3Å; F172-Q174 PolarHBondContact O-N 3.1Å; F172-R175 CarbonylContact O-C 3.48Å; F172-R175 PolarHBondContact O-N 3.35Å; F172-G176 PolarHBondContact O-N 3.5Å; F172-V177 CarbonylContact C-O 3.38Å; F172-V177 HydrophobicContact CB-CB 4.1Å; F172-V177 HydrophobicContact CB-CG1 4.46Å; F172-V177 WeakPolarHBondContact CB-O 3.44Å; F172-V177 HydrophobicContact CD1-CB 4.28Å; F172-V177 HydrophobicContact CD1-CG1 4.15Å; F172-V177 PolarHBondContact O-N 3.48Å; F172-L179 HydrophobicContact CD2-CD1 3.37Å; F172-L179 HydrophobicContact CD2-CG 3.65Å; F172-L179 HydrophobicContact CE2-CD1 3.72Å; F172-L179 HydrophobicContact CE2-CD2 4.31Å; F172-L179 HydrophobicContact CE2-CG 3.91Å; F172-L179 HydrophobicContact CG-CD1 4.5Å
173K95.6Very high95.1Very high120 Ų12063 Ų6352%0.52232%0.324SS..Hα-helixtrans-57.1-42176.6-79.8172.1-179.5158.20112.3E169 R175 G176E169-K173 VanDerWaalsContact CD-NZ 3.29Å; E169-K173 HydrophobicContact CG-CD 4.32Å; E169-K173 WeakPolarHBondContact O-CB 3.45Å; E169-K173 WeakPolarHBondContact O-CG 3.25Å; E169-K173 PolarHBondContact O-N 2.99Å; E169-K173 WeakPolarHBondContact OE1-CE 3.03Å; E169-K173 IonicContact OE1-NZ 3.3Å; E169-K173 PolarHBondContact OE1-NZ 3.11Å; K173-R175 PolarHBondContact O-N 2.9Å; K173-R175 VanDerWaalsContact O-N 3.11Å; K173-G176 PolarHBondContact O-N 2.99Å; K173-G176 VanDerWaalsContact O-N 3.1Å
174Q92.8Very high94.9Very high135 Ų13564.9 Ų64.963%0.63133%0.327SS*.THydrogen-bonded Turntrans-59.7-22.9177.2-71.5172.424.300113.4D170 F172D170-Q174 VanDerWaalsContact O-CG 3.3Å; D170-Q174 WeakPolarHBondContact O-CG 3.25Å; D170-Q174 PolarHBondContact O-N 3.42Å; F172-Q174 VanDerWaalsContact C-N 3.3Å; F172-Q174 PolarHBondContact O-N 3.1Å
175R92.8Very high94.6Very high67 Ų6769.2 Ų69.225%0.25335%0.348SS..THydrogen-bonded Turntrans-109.110-179-65.7-113.6-175.8-171.55.3113.3L130 N131 Q144 F147 F172 K173 V177L130-R175 PolarHBondContact O-NH2 3.25Å; N131-R175 VanDerWaalsContact OD1-CZ 3.23Å; N131-R175 PolarHBondContact OD1-NE 3.47Å; N131-R175 PolarHBondContact OD1-NH2 3.24Å; Q144-R175 PolarHBondContact NE2-O 3.48Å; F147-R175 HydrophobicContact CD1-CB 4.02Å; F147-R175 HydrophobicContact CD1-CG 3.71Å; F147-R175 HydrophobicContact CD2-CG 4.47Å; F147-R175 HydrophobicContact CE1-CB 4.46Å; F147-R175 HydrophobicContact CE1-CG 3.69Å; F147-R175 HydrophobicContact CE2-CG 4.45Å; F147-R175 HydrophobicContact CG-CB 4.36Å; F147-R175 HydrophobicContact CG-CG 4.14Å; F147-R175 HydrophobicContact CZ-CG 4.09Å; F172-R175 CarbonylContact O-C 3.48Å; F172-R175 PolarHBondContact O-N 3.35Å; K173-R175 PolarHBondContact O-N 2.9Å; K173-R175 VanDerWaalsContact O-N 3.11Å; R175-V177 HydrophobicContact CB-CG2 4.33Å; R175-V177 PolarHBondContact O-N 3.27Å
176G95.2Very high94.3Very high71 Ų7171.8 Ų71.873%0.73236%0.362SS*.THydrogen-bonded Turntrans64.422.9-178.300000114.2F172 K173F172-G176 PolarHBondContact O-N 3.5Å; K173-G176 PolarHBondContact O-N 2.99Å; K173-G176 VanDerWaalsContact O-N 3.1Å
177V94.6Very high94.1Very high16 Ų1667.7 Ų67.710%0.09735%0.345CS..  trans-96.2134176.3-178.50000108.9F147 V148 A151 F172 R175F147-V177 HydrophobicContact CB-CG2 4.11Å; V148-V177 HydrophobicContact CG2-CG2 4.08Å; A151-V177 HydrophobicContact CB-CG1 3.54Å; F172-V177 CarbonylContact C-O 3.38Å; F172-V177 HydrophobicContact CB-CB 4.1Å; F172-V177 HydrophobicContact CB-CG1 4.46Å; F172-V177 WeakPolarHBondContact CB-O 3.44Å; F172-V177 HydrophobicContact CD1-CB 4.28Å; F172-V177 HydrophobicContact CD1-CG1 4.15Å; F172-V177 PolarHBondContact O-N 3.48Å; R175-V177 HydrophobicContact CB-CG2 4.33Å; R175-V177 PolarHBondContact O-N 3.27Å
178Q86.4Confident93.7Very high182 Ų18267.8 Ų67.885%0.8535%0.35SS*.  trans-100.7146.7178.5-66.2-175.6-7.300110.9
179L79.3Confident93.3Very high50 Ų5074 Ų7426%0.26238%0.382SS..  trans-105.60-175.7-116.2171.8000112.7V154 K155 K158 E169 F172V154-L179 HydrophobicContact CB-CD2 3.99Å; V154-L179 HydrophobicContact CG1-CD1 4.31Å; V154-L179 HydrophobicContact CG1-CD2 3.63Å; K155-L179 HydrophobicContact CB-CD2 4.29Å; K158-L179 PolarHBondContact NZ-O 3.3Å; K158-L179 PolarHBondContact NZ-OXT 2.7Å; E169-L179 HydrophobicContact CB-CD1 3.9Å; E169-L179 HydrophobicContact CG-CD1 4.1Å; F172-L179 HydrophobicContact CD2-CD1 3.37Å; F172-L179 HydrophobicContact CD2-CG 3.65Å; F172-L179 HydrophobicContact CE2-CD1 3.72Å; F172-L179 HydrophobicContact CE2-CD2 4.31Å; F172-L179 HydrophobicContact CE2-CG 3.91Å; F172-L179 HydrophobicContact CG-CD1 4.5Å

Retrieved 179 of 179 residues in 93.1 ms (Link to these results)

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