A0A2K5N8U6_CERAT Loading...

Receptor expression-enhancing protein

AlphaFold DB , UniProt , Accession A0A2K5N8U6, Species CERAT (Cercocebus atys, Sooty mangabey), Gene REEP2, Length 254 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
1M67.8Low72.7Confident191 Ų19181 Ų8194%0.94141%0.41SS*.  0-71.70-57.8-40.2-170.900112.7S3 W4 I5M1-S3 PolarHBondContact O-N 3.5Å; M1-W4 WeakPolarHBondContact O-CB 3.37Å; M1-W4 PolarHBondContact O-N 3.01Å; M1-W4 VanDerWaalsContact O-N 3.1Å; M1-I5 PolarHBondContact O-N 3.49Å
2V72.1Confident72.9Confident108 Ų10881.8 Ų81.866%0.65542%0.415SS*.Hα-helixtrans-54.6-50.3-171-177.90000114W4 I5 I6V2-W4 VanDerWaalsContact C-N 3.29Å; V2-W4 PolarHBondContact O-N 2.71Å; V2-I5 PolarHBondContact O-N 2.63Å; V2-I6 HydrophobicContact CG1-CD1 3.67Å; V2-I6 HydrophobicContact CG1-CG1 4.3Å; V2-I6 WeakPolarHBondContact O-CG1 3.19Å; V2-I6 PolarHBondContact O-N 3.25Å
3S70.3Confident73.1Confident45 Ų4581.7 Ų81.732%0.31542%0.415SS..Hα-helixtrans-57.7-36.6178.3172.40000113.7M1 I6 S7 I70M1-S3 PolarHBondContact O-N 3.5Å; S3-I6 PolarHBondContact O-N 3.41Å; S3-S7 WeakPolarHBondContact O-CB 3.28Å; S3-S7 PolarHBondContact O-N 3.05Å; S3-I70 WeakPolarHBondContact OG-CD1 3.26Å
4W73.2Confident73.1Confident122 Ų12286.9 Ų86.946%0.46243%0.434SS..Hα-helixtrans-66.4-44.8177.1-179.578.6000112.2M1 V2 S7 R8 D56M1-W4 WeakPolarHBondContact O-CB 3.37Å; M1-W4 PolarHBondContact O-N 3.01Å; M1-W4 VanDerWaalsContact O-N 3.1Å; V2-W4 VanDerWaalsContact C-N 3.29Å; V2-W4 PolarHBondContact O-N 2.71Å; W4-S7 PolarHBondContact O-N 2.95Å; W4-R8 WeakPolarHBondContact O-CB 3.36Å; W4-R8 PolarHBondContact O-N 3.21Å; W4-D56 PolarHBondContact NE1-OD2 2.71Å
5I76.9Confident72.7Confident84 Ų8481.3 Ų81.343%0.43141%0.407SS..Hα-helixtrans-64.3-40.4174.8-82.4138.4000111.8M1 V2 R8 L9M1-I5 PolarHBondContact O-N 3.49Å; V2-I5 PolarHBondContact O-N 2.63Å; I5-R8 PolarHBondContact O-N 2.95Å; I5-L9 HydrophobicContact CG2-CD1 3.97Å; I5-L9 WeakPolarHBondContact O-CB 3.28Å; I5-L9 WeakPolarHBondContact O-CG 3.35Å; I5-L9 PolarHBondContact O-N 2.95Å
6I76.9Confident73Confident94 Ų9478.4 Ų78.448%0.48240%0.395SS..Hα-helixtrans-64.8-47.2176.9-67.3172.4000110.5V2 S3 R8 L9 V10V2-I6 HydrophobicContact CG1-CD1 3.67Å; V2-I6 HydrophobicContact CG1-CG1 4.3Å; V2-I6 WeakPolarHBondContact O-CG1 3.19Å; V2-I6 PolarHBondContact O-N 3.25Å; S3-I6 PolarHBondContact O-N 3.41Å; I6-R8 VanDerWaalsContact C-N 3.33Å; I6-R8 PolarHBondContact O-N 3.36Å; I6-L9 PolarHBondContact O-N 2.89Å; I6-V10 HydrophobicContact CG2-CG2 4.32Å; I6-V10 WeakPolarHBondContact O-CB 3.29Å; I6-V10 VanDerWaalsContact O-CG2 3.32Å; I6-V10 WeakPolarHBondContact O-CG2 3.26Å; I6-V10 PolarHBondContact O-N 3.09Å
7S70.8Confident73.1Confident13 Ų1380.8 Ų80.89%0.09141%0.408CS..Hα-helixtrans-55.5-49.3174.7-1750000111.1S3 W4 L9 V10 V11S3-S7 WeakPolarHBondContact O-CB 3.28Å; S3-S7 PolarHBondContact O-N 3.05Å; W4-S7 PolarHBondContact O-N 2.95Å; S7-L9 PolarHBondContact O-N 3.45Å; S7-V10 PolarHBondContact O-N 2.93Å; S7-V11 WeakPolarHBondContact O-CB 3.33Å; S7-V11 WeakPolarHBondContact O-CG2 3.49Å; S7-V11 PolarHBondContact O-N 3.49Å
8R73.8Confident72.9Confident92 Ų9285.4 Ų85.435%0.34742%0.421SS..Hα-helixtrans-61.4-41.7-179.9-163.170.4173.3135.15.1112.2W4 I5 I6 L12 E52W4-R8 WeakPolarHBondContact O-CB 3.36Å; W4-R8 PolarHBondContact O-N 3.21Å; I5-R8 PolarHBondContact O-N 2.95Å; I6-R8 VanDerWaalsContact C-N 3.33Å; I6-R8 PolarHBondContact O-N 3.36Å; R8-L12 WeakPolarHBondContact O-CB 3.25Å; R8-L12 PolarHBondContact O-N 3.04Å; R8-E52 IonicContact CZ-OE2 2.67Å; R8-E52 IonicContact NH1-OE2 3.25Å; R8-E52 PolarHBondContact NH1-OE2 2.99Å
9L75.9Confident72.8Confident86 Ų8680.9 Ų80.945%0.4540%0.399SS..Hα-helixtrans-67.3-41.1175.6-81.9168.9000112.5I5 I6 S7 L12 I13I5-L9 HydrophobicContact CG2-CD1 3.97Å; I5-L9 WeakPolarHBondContact O-CB 3.28Å; I5-L9 WeakPolarHBondContact O-CG 3.35Å; I5-L9 PolarHBondContact O-N 2.95Å; I6-L9 PolarHBondContact O-N 2.89Å; S7-L9 PolarHBondContact O-N 3.45Å; L9-L12 PolarHBondContact O-N 3.43Å; L9-I13 HydrophobicContact CB-CD1 4.46Å; L9-I13 HydrophobicContact CD2-CD1 4.37Å; L9-I13 VanDerWaalsContact O-CB 3.26Å; L9-I13 WeakPolarHBondContact O-CB 3.37Å; L9-I13 WeakPolarHBondContact O-CD1 3.15Å; L9-I13 WeakPolarHBondContact O-CG1 3.49Å; L9-I13 PolarHBondContact O-N 3.24Å
10V71.1Confident73Confident53 Ų5379.2 Ų79.232%0.32140%0.398SS..Hα-helixtrans-64.5-47.2176.9169.20000110.5I6 S7 L12 I13 F14I6-V10 HydrophobicContact CG2-CG2 4.32Å; I6-V10 WeakPolarHBondContact O-CB 3.29Å; I6-V10 VanDerWaalsContact O-CG2 3.32Å; I6-V10 WeakPolarHBondContact O-CG2 3.26Å; I6-V10 PolarHBondContact O-N 3.09Å; S7-V10 PolarHBondContact O-N 2.93Å; V10-L12 PolarHBondContact O-N 3.37Å; V10-I13 PolarHBondContact O-N 3.01Å; V10-F14 HydrophobicContact CG1-CD2 3.85Å; V10-F14 HydrophobicContact CG1-CE2 4.28Å; V10-F14 WeakPolarHBondContact O-CB 3.43Å; V10-F14 WeakPolarHBondContact O-CD2 3.22Å; V10-F14 PolarHBondContact O-N 2.72Å
11V70.6Confident73.2Confident3 Ų382.8 Ų82.82%0.01841%0.408CS..Hα-helixtrans-59.4-45.4175.11680000111.2S7 G15 F48 V73 L77S7-V11 WeakPolarHBondContact O-CB 3.33Å; S7-V11 WeakPolarHBondContact O-CG2 3.49Å; S7-V11 PolarHBondContact O-N 3.49Å; V11-G15 WeakPolarHBondContact O-CA 3.4Å; V11-G15 PolarHBondContact O-N 3.3Å; V11-F48 HydrophobicContact CG1-CE1 3.88Å; V11-V73 HydrophobicContact CG2-CG1 3.92Å; V11-L77 HydrophobicContact CB-CD2 4.09Å; V11-L77 HydrophobicContact CG1-CD2 3.91Å; V11-L77 HydrophobicContact CG2-CD2 3.9Å
12L75.8Confident73.3Confident90 Ų9074.6 Ų74.647%0.47137%0.37SS..Hα-helixtrans-65.9-48178.9-17071.9000111.6R8 L9 V10 T16R8-L12 WeakPolarHBondContact O-CB 3.25Å; R8-L12 PolarHBondContact O-N 3.04Å; L9-L12 PolarHBondContact O-N 3.43Å; V10-L12 PolarHBondContact O-N 3.37Å; L12-T16 HydrophobicContact CD1-CG2 4Å; L12-T16 VanDerWaalsContact O-CB 3.23Å; L12-T16 WeakPolarHBondContact O-CB 3.24Å; L12-T16 VanDerWaalsContact O-CG2 3.31Å; L12-T16 WeakPolarHBondContact O-CG2 3.3Å; L12-T16 PolarHBondContact O-N 3.49Å; L12-T16 PolarHBondContact O-OG1 2.89Å
13I75.5Confident73.4Confident81 Ų8170.6 Ų70.642%0.41535%0.346SS..Hα-helixtrans-71.1-53.8-175.4-67.2166.4000110.5L9 V10 G15 L17L9-I13 HydrophobicContact CB-CD1 4.46Å; L9-I13 HydrophobicContact CD2-CD1 4.37Å; L9-I13 VanDerWaalsContact O-CB 3.26Å; L9-I13 WeakPolarHBondContact O-CB 3.37Å; L9-I13 WeakPolarHBondContact O-CD1 3.15Å; L9-I13 WeakPolarHBondContact O-CG1 3.49Å; L9-I13 PolarHBondContact O-N 3.24Å; V10-I13 PolarHBondContact O-N 3.01Å; I13-G15 VanDerWaalsContact C-N 3.34Å; I13-G15 PolarHBondContact O-N 2.89Å; I13-L17 HydrophobicContact CG2-CB 4.48Å; I13-L17 HydrophobicContact CG2-CD2 4.28Å; I13-L17 WeakPolarHBondContact O-CB 3.2Å; I13-L17 PolarHBondContact O-N 2.86Å
14F72.1Confident73.6Confident155 Ų15575.7 Ų75.768%0.6836%0.36SS*.Hα-helixtrans-70-32.2-179.9-73-89.6000112.4V10V10-F14 HydrophobicContact CG1-CD2 3.85Å; V10-F14 HydrophobicContact CG1-CE2 4.28Å; V10-F14 WeakPolarHBondContact O-CB 3.43Å; V10-F14 WeakPolarHBondContact O-CD2 3.22Å; V10-F14 PolarHBondContact O-N 2.72Å
15G68.1Low73.4Confident2 Ų275.9 Ų75.92%0.02136%0.364CS..Hα-helixtrans-84.4-12.9179.200000115.9V11 I13 P19 Y41 F45V11-G15 WeakPolarHBondContact O-CA 3.4Å; V11-G15 PolarHBondContact O-N 3.3Å; I13-G15 VanDerWaalsContact C-N 3.34Å; I13-G15 PolarHBondContact O-N 2.89Å; G15-P19 WeakPolarHBondContact O-CG 3.29Å; G15-Y41 PolarHBondContact O-OH 3.14Å; G15-Y41 VanDerWaalsContact O-OH 3.09Å; G15-F45 WeakPolarHBondContact O-CE2 3.34Å
16T76.5Confident73Confident35 Ų3572.1 Ų72.122%0.21535%0.345CS..Hα-helixtrans-119.2-33.9175710000114.2L12 P19 A20 W42 F45L12-T16 HydrophobicContact CD1-CG2 4Å; L12-T16 VanDerWaalsContact O-CB 3.23Å; L12-T16 WeakPolarHBondContact O-CB 3.24Å; L12-T16 VanDerWaalsContact O-CG2 3.31Å; L12-T16 WeakPolarHBondContact O-CG2 3.3Å; L12-T16 PolarHBondContact O-N 3.49Å; L12-T16 PolarHBondContact O-OG1 2.89Å; T16-P19 WeakPolarHBondContact O-CD 3.29Å; T16-P19 WeakPolarHBondContact O-CG 3.42Å; T16-A20 WeakPolarHBondContact O-CB 3.31Å; T16-A20 PolarHBondContact O-N 2.86Å; T16-W42 HydrophobicContact CG2-CZ3 4.42Å; T16-F45 HydrophobicContact CG2-CE1 3.73Å; T16-F45 HydrophobicContact CG2-CZ 3.62Å
17L75.2Confident72.7Confident119 Ų11972.2 Ų72.262%0.62335%0.35SS*.Hα-helixtrans-72.1-44.1-170.9-152.977.4000112.4I13 Y21I13-L17 HydrophobicContact CG2-CB 4.48Å; I13-L17 HydrophobicContact CG2-CD2 4.28Å; I13-L17 WeakPolarHBondContact O-CB 3.2Å; I13-L17 PolarHBondContact O-N 2.86Å; L17-Y21 PolarHBondContact O-N 3.38Å; L17-Y21 VanDerWaalsContact O-N 3.09Å
18Y69.6Low72.7Confident165 Ų16579.3 Ų79.365%0.64738%0.379SS*.Hα-helixtrans-62.7-50.1174.7-177.6-93.5000113.6S22 W38Y18-S22 WeakPolarHBondContact O-CB 3.35Å; Y18-S22 PolarHBondContact O-N 3.42Å; Y18-S22 PolarHBondContact O-OG 3.24Å; Y18-W38 HydrophobicContact CE1-CH2 4.35Å
19P71.3Confident72.5Confident0 Ų078.2 Ų78.20%038%0.383CS..Hα-helixtrans-70.7-29.1175.627.8-36.1000113.2G15 T16 S22 S23 W38 Y41 W42G15-P19 WeakPolarHBondContact O-CG 3.29Å; T16-P19 WeakPolarHBondContact O-CD 3.29Å; T16-P19 WeakPolarHBondContact O-CG 3.42Å; P19-S22 PolarHBondContact O-N 3.22Å; P19-S23 WeakPolarHBondContact O-CB 3.31Å; P19-S23 PolarHBondContact O-N 2.88Å; P19-S23 PolarHBondContact O-OG 3.15Å; P19-W38 HydrophobicContact CB-CE3 3.8Å; P19-W38 HydrophobicContact CB-CZ3 3.57Å; P19-Y41 HydrophobicContact CB-CD1 3.74Å; P19-Y41 HydrophobicContact CB-CE1 3.45Å; P19-Y41 VanDerWaalsContact CB-CE1 3.45Å; P19-Y41 HydrophobicContact CG-CD1 4.23Å; P19-Y41 HydrophobicContact CG-CE1 3.43Å; P19-Y41 VanDerWaalsContact CG-CE1 3.43Å; P19-W42 HydrophobicContact CB-CZ2 4.28Å; P19-W42 HydrophobicContact CG-CH2 4.38Å; P19-W42 HydrophobicContact CG-CZ2 4.44Å
20A77.4Confident72.1Confident46 Ų4683 Ų8338%0.3840%0.4SS..Hα-helixtrans-65.9-48175.100000111.7T16 S22 S23 Y24T16-A20 WeakPolarHBondContact O-CB 3.31Å; T16-A20 PolarHBondContact O-N 2.86Å; A20-S22 VanDerWaalsContact C-N 3.27Å; A20-S22 PolarHBondContact O-N 3.47Å; A20-S23 PolarHBondContact O-N 3.22Å; A20-Y24 WeakPolarHBondContact O-CB 3.37Å; A20-Y24 PolarHBondContact O-N 3.36Å
21Y77.3Confident71.8Confident154 Ų15484.4 Ų84.460%0.60441%0.406SS*.Hα-helixtrans-58.1-41.8174.7177.9-98.5000111.9L17 Y24 K25L17-Y21 PolarHBondContact O-N 3.38Å; L17-Y21 VanDerWaalsContact O-N 3.09Å; Y21-Y24 WeakPolarHBondContact O-CB 3.25Å; Y21-Y24 PolarHBondContact O-N 2.84Å; Y21-K25 PolarHBondContact O-N 2.9Å; Y21-K25 VanDerWaalsContact O-N 3.08Å
22S69.6Low71.6Confident20 Ų2089.4 Ų89.414%0.1444%0.436CS..Hα-helixtrans-75.3-33.9-178.3-52.70000112.7Y18 P19 A20 K25 A26 W38Y18-S22 WeakPolarHBondContact O-CB 3.35Å; Y18-S22 PolarHBondContact O-N 3.42Å; Y18-S22 PolarHBondContact O-OG 3.24Å; P19-S22 PolarHBondContact O-N 3.22Å; A20-S22 VanDerWaalsContact C-N 3.27Å; A20-S22 PolarHBondContact O-N 3.47Å; S22-K25 PolarHBondContact O-N 3.48Å; S22-A26 PolarHBondContact O-N 2.85Å; S22-W38 VanDerWaalsContact CB-CH2 3.44Å
23S72.8Confident71.2Confident23 Ų2393.6 Ų93.616%0.16145%0.451CS..Hα-helixtrans-64.8-42.4170.6-61.50000111P19 A20 K25 A26 V27 W42P19-S23 WeakPolarHBondContact O-CB 3.31Å; P19-S23 PolarHBondContact O-N 2.88Å; P19-S23 PolarHBondContact O-OG 3.15Å; A20-S23 PolarHBondContact O-N 3.22Å; S23-K25 VanDerWaalsContact C-N 3.32Å; S23-K25 PolarHBondContact O-N 3.22Å; S23-A26 WeakPolarHBondContact O-CB 3.34Å; S23-A26 PolarHBondContact O-N 3.16Å; S23-A26 VanDerWaalsContact O-N 3.15Å; S23-V27 WeakPolarHBondContact O-CG2 3.33Å; S23-V27 PolarHBondContact O-N 2.81Å; S23-W42 PolarHBondContact OG-NE1 2.94Å
24Y76.1Confident70.8Confident152 Ų15293.2 Ų93.260%0.59645%0.447SS*.Hα-helixtrans-58.1-43.5173172.8-97.8000111.7A20 Y21 A26 V27 K28A20-Y24 WeakPolarHBondContact O-CB 3.37Å; A20-Y24 PolarHBondContact O-N 3.36Å; Y21-Y24 WeakPolarHBondContact O-CB 3.25Å; Y21-Y24 PolarHBondContact O-N 2.84Å; Y24-A26 PolarHBondContact O-N 2.97Å; Y24-V27 PolarHBondContact O-N 3.35Å; Y24-K28 PolarHBondContact O-N 3.49Å
25K69.2Low70.8Confident127 Ų12791.5 Ų91.555%0.55244%0.437SS*.Hα-helixtrans-66.2-35.2175.4-161.8174.5-177.1178.90112.7Y21 S22 S23 T29Y21-K25 PolarHBondContact O-N 2.9Å; Y21-K25 VanDerWaalsContact O-N 3.08Å; S22-K25 PolarHBondContact O-N 3.48Å; S23-K25 VanDerWaalsContact C-N 3.32Å; S23-K25 PolarHBondContact O-N 3.22Å; K25-T29 WeakPolarHBondContact O-CG2 3.43Å; K25-T29 PolarHBondContact O-N 2.87Å; K25-T29 PolarHBondContact O-OG1 3.45Å
26A68.1Low70.8Confident4 Ų495.1 Ų95.13%0.03346%0.458CS..Hα-helixtrans-65.3-44.5173.400000112.2S22 S23 Y24 T29 K30 E34S22-A26 PolarHBondContact O-N 2.85Å; S23-A26 WeakPolarHBondContact O-CB 3.34Å; S23-A26 PolarHBondContact O-N 3.16Å; S23-A26 VanDerWaalsContact O-N 3.15Å; Y24-A26 PolarHBondContact O-N 2.97Å; A26-T29 PolarHBondContact O-N 2.86Å; A26-T29 PolarHBondContact O-OG1 3.02Å; A26-K30 PolarHBondContact O-N 2.91Å; A26-E34 HydrophobicContact CB-CB 3.86Å; A26-E34 HydrophobicContact CB-CG 3.89Å
27V70.3Confident70.3Confident97 Ų9799.2 Ų99.259%0.58847%0.473SS*.Hα-helixtrans-61.8-48.9175.9171.80000110.9S23 Y24 T29 K30S23-V27 WeakPolarHBondContact O-CG2 3.33Å; S23-V27 PolarHBondContact O-N 2.81Å; Y24-V27 PolarHBondContact O-N 3.35Å; V27-T29 PolarHBondContact O-N 3.47Å; V27-K30 PolarHBondContact O-N 3.33Å; V27-K30 VanDerWaalsContact O-N 3.13Å
28K71Confident70.4Confident162 Ų16295.5 Ų95.570%0.70445%0.451SS*.Hα-helixtrans-59.7-31.3179.1-174.6172.3-179175.40113.2Y24Y24-K28 PolarHBondContact O-N 3.49Å
29T68.6Low70.5Confident69 Ų6991.8 Ų91.842%0.42344%0.44SS..THydrogen-bonded Turntrans-93.81.1-178.957.60000114.2K25 A26 V27 N31K25-T29 WeakPolarHBondContact O-CG2 3.43Å; K25-T29 PolarHBondContact O-N 2.87Å; K25-T29 PolarHBondContact O-OG1 3.45Å; A26-T29 PolarHBondContact O-N 2.86Å; A26-T29 PolarHBondContact O-OG1 3.02Å; V27-T29 PolarHBondContact O-N 3.47Å; T29-N31 VanDerWaalsContact CB-ND2 3.26Å; T29-N31 WeakPolarHBondContact CB-ND2 3.27Å; T29-N31 PolarHBondContact O-N 2.83Å; T29-N31 PolarHBondContact O-ND2 3.36Å; T29-N31 PolarHBondContact OG1-ND2 2.94Å
30K67.6Low70.2Confident186 Ų18696.4 Ų96.481%0.80946%0.463SS*.THydrogen-bonded Turntrans50.522.6-177.5-63.8-172.1176.5-1760114.6A26 V27 V32A26-K30 PolarHBondContact O-N 2.91Å; V27-K30 PolarHBondContact O-N 3.33Å; V27-K30 VanDerWaalsContact O-N 3.13Å; K30-V32 PolarHBondContact O-N 3.29Å; K30-V32 VanDerWaalsContact O-N 3.09Å
31N65.1Low69.8Low83 Ų8397.1 Ų97.144%0.44446%0.456SS..  trans-80.194.5-176.6-82.3-56.8000111.1T29 K33 E34 Y35T29-N31 VanDerWaalsContact CB-ND2 3.26Å; T29-N31 WeakPolarHBondContact CB-ND2 3.27Å; T29-N31 PolarHBondContact O-N 2.83Å; T29-N31 PolarHBondContact O-ND2 3.36Å; T29-N31 PolarHBondContact OG1-ND2 2.94Å; N31-K33 PolarHBondContact O-N 3.35Å; N31-K33 VanDerWaalsContact O-N 3.15Å; N31-E34 HydrophobicContact CB-CB 3.87Å; N31-E34 WeakPolarHBondContact O-CA 3.39Å; N31-E34 WeakPolarHBondContact O-CB 3.29Å; N31-E34 PolarHBondContact O-N 2.82Å; N31-Y35 PolarHBondContact O-N 3.29Å
32V66.8Low70Confident108 Ų10894.1 Ų94.166%0.65544%0.444SS*.Hα-helixtrans-51.7-39.9179.8-175.20000112.4K30 E34 Y35 V36K30-V32 PolarHBondContact O-N 3.29Å; K30-V32 VanDerWaalsContact O-N 3.09Å; V32-E34 VanDerWaalsContact C-N 3.3Å; V32-E34 PolarHBondContact O-N 3.46Å; V32-Y35 PolarHBondContact O-N 2.88Å; V32-V36 WeakPolarHBondContact O-CG2 3.29Å; V32-V36 PolarHBondContact O-N 3.47Å
33K66.5Low70.1Confident178 Ų17896.7 Ų96.777%0.77446%0.455SS*.Hα-helixtrans-65.8-28.9177.8-66179-178.4173.80113.7N31 K37N31-K33 PolarHBondContact O-N 3.35Å; N31-K33 VanDerWaalsContact O-N 3.15Å; K33-K37 WeakPolarHBondContact O-CG 3.33Å
34E67.3Low69.9Low72 Ų7297.8 Ų97.834%0.33646%0.461SS..Hα-helixtrans-77.4-44.8175.6-147.677.8-101.700109.6A26 N31 V32 V36 K37 W38A26-E34 HydrophobicContact CB-CB 3.86Å; A26-E34 HydrophobicContact CB-CG 3.89Å; N31-E34 HydrophobicContact CB-CB 3.87Å; N31-E34 WeakPolarHBondContact O-CA 3.39Å; N31-E34 WeakPolarHBondContact O-CB 3.29Å; N31-E34 PolarHBondContact O-N 2.82Å; V32-E34 VanDerWaalsContact C-N 3.3Å; V32-E34 PolarHBondContact O-N 3.46Å; E34-V36 VanDerWaalsContact C-N 3.35Å; E34-V36 PolarHBondContact O-N 2.84Å; E34-K37 WeakPolarHBondContact O-CB 3.31Å; E34-K37 PolarHBondContact O-N 2.89Å; E34-K37 VanDerWaalsContact O-N 3.13Å; E34-K37 IonicContact OE1-NZ 3.79Å; E34-K37 PolarHBondContact OE1-NZ 3.27Å; E34-W38 PolarHBondContact O-N 3.42Å
35Y72.3Confident69.7Low120 Ų12091.7 Ų91.747%0.47144%0.438SS..Hα-helixtrans-56.7-44.1176.3179.3-104.7000112.6N31 V32 K37 W38 M39N31-Y35 PolarHBondContact O-N 3.29Å; V32-Y35 PolarHBondContact O-N 2.88Å; Y35-K37 VanDerWaalsContact C-N 3.34Å; Y35-K37 PolarHBondContact O-N 2.93Å; Y35-W38 PolarHBondContact O-N 2.81Å; Y35-M39 HydrophobicContact CE1-CE 3.5Å; Y35-M39 VanDerWaalsContact CE1-CE 3.5Å; Y35-M39 PolarHBondContact O-N 2.99Å; Y35-M39 WeakPolarHBondContact OH-CE 3.33Å
36V68.3Low70Confident77 Ų7788.2 Ų88.247%0.46743%0.432SS..Hα-helixtrans-61.6-39.2176.2172.20000112.1V32 E34 M39 M40V32-V36 WeakPolarHBondContact O-CG2 3.29Å; V32-V36 PolarHBondContact O-N 3.47Å; E34-V36 VanDerWaalsContact C-N 3.35Å; E34-V36 PolarHBondContact O-N 2.84Å; V36-M39 PolarHBondContact O-N 3.49Å; V36-M40 WeakPolarHBondContact O-CG 3.45Å; V36-M40 PolarHBondContact O-N 3.08Å
37K66.3Low70.2Confident122 Ų12292.5 Ų92.553%0.5345%0.451SS..Hα-helixtrans-65.2-41174.8-66.6171.5-166.6165.20111.9K33 E34 Y35 M40 Y41K33-K37 WeakPolarHBondContact O-CG 3.33Å; E34-K37 WeakPolarHBondContact O-CB 3.31Å; E34-K37 PolarHBondContact O-N 2.89Å; E34-K37 VanDerWaalsContact O-N 3.13Å; E34-K37 IonicContact OE1-NZ 3.79Å; E34-K37 PolarHBondContact OE1-NZ 3.27Å; Y35-K37 VanDerWaalsContact C-N 3.34Å; Y35-K37 PolarHBondContact O-N 2.93Å; K37-M40 PolarHBondContact O-N 3.13Å; K37-Y41 PolarHBondContact O-N 3.04Å
38W76.8Confident70.2Confident41 Ų4189.1 Ų89.116%0.15543%0.428CS..Hα-helixtrans-66.2-39.6175.1-69.5114.5000111.8Y18 P19 S22 E34 Y35 M40 Y41 W42Y18-W38 HydrophobicContact CE1-CH2 4.35Å; P19-W38 HydrophobicContact CB-CE3 3.8Å; P19-W38 HydrophobicContact CB-CZ3 3.57Å; S22-W38 VanDerWaalsContact CB-CH2 3.44Å; E34-W38 PolarHBondContact O-N 3.42Å; Y35-W38 PolarHBondContact O-N 2.81Å; W38-M40 PolarHBondContact O-N 3.42Å; W38-Y41 HydrophobicContact CE3-CD1 4.45Å; W38-Y41 HydrophobicContact CE3-CG 4.33Å; W38-Y41 HydrophobicContact CZ3-CG 4.36Å; W38-Y41 WeakPolarHBondContact O-CB 3.49Å; W38-Y41 PolarHBondContact O-N 3Å; W38-Y41 VanDerWaalsContact O-N 3.15Å; W38-W42 PolarHBondContact O-N 3.31Å
39M71.3Confident70.4Confident86 Ų8682.9 Ų82.942%0.42440%0.404SS..Hα-helixtrans-58.6-46.9173.1-165.191.889.200111.5Y35 V36 Y41 W42 I43Y35-M39 HydrophobicContact CE1-CE 3.5Å; Y35-M39 VanDerWaalsContact CE1-CE 3.5Å; Y35-M39 PolarHBondContact O-N 2.99Å; Y35-M39 WeakPolarHBondContact OH-CE 3.33Å; V36-M39 PolarHBondContact O-N 3.49Å; M39-Y41 VanDerWaalsContact C-N 3.3Å; M39-Y41 PolarHBondContact O-N 3.49Å; M39-W42 PolarHBondContact O-N 2.72Å; M39-I43 HydrophobicContact CG-CD1 4.34Å; M39-I43 WeakPolarHBondContact O-CG1 3.41Å; M39-I43 PolarHBondContact O-N 2.96Å
40M66.3Low70.6Confident98 Ų9884 Ų8448%0.48341%0.411SS..Hα-helixtrans-59.6-39.9174.6-71.2-177.173.500112.2V36 K37 W38 V44V36-M40 WeakPolarHBondContact O-CG 3.45Å; V36-M40 PolarHBondContact O-N 3.08Å; K37-M40 PolarHBondContact O-N 3.13Å; W38-M40 PolarHBondContact O-N 3.42Å; M40-V44 WeakPolarHBondContact O-CG2 3.14Å; M40-V44 PolarHBondContact O-N 3.43Å
41Y69.4Low70.8Confident60 Ų6077.2 Ų77.224%0.23539%0.389CS..Hα-helixtrans-61.7-47.7174176-83.6000111.9G15 P19 K37 W38 M39 I43 V44 F45G15-Y41 PolarHBondContact O-OH 3.14Å; G15-Y41 VanDerWaalsContact O-OH 3.09Å; P19-Y41 HydrophobicContact CB-CD1 3.74Å; P19-Y41 HydrophobicContact CB-CE1 3.45Å; P19-Y41 VanDerWaalsContact CB-CE1 3.45Å; P19-Y41 HydrophobicContact CG-CD1 4.23Å; P19-Y41 HydrophobicContact CG-CE1 3.43Å; P19-Y41 VanDerWaalsContact CG-CE1 3.43Å; K37-Y41 PolarHBondContact O-N 3.04Å; W38-Y41 HydrophobicContact CE3-CD1 4.45Å; W38-Y41 HydrophobicContact CE3-CG 4.33Å; W38-Y41 HydrophobicContact CZ3-CG 4.36Å; W38-Y41 WeakPolarHBondContact O-CB 3.49Å; W38-Y41 PolarHBondContact O-N 3Å; W38-Y41 VanDerWaalsContact O-N 3.15Å; M39-Y41 VanDerWaalsContact C-N 3.3Å; M39-Y41 PolarHBondContact O-N 3.49Å; Y41-I43 VanDerWaalsContact C-N 3.31Å; Y41-I43 PolarHBondContact O-N 2.91Å; Y41-V44 PolarHBondContact O-N 3.43Å; Y41-V44 VanDerWaalsContact O-N 3.14Å; Y41-F45 HydrophobicContact CE1-CB 4.08Å; Y41-F45 HydrophobicContact CE1-CG 4.43Å; Y41-F45 WeakPolarHBondContact O-CB 3.5Å; Y41-F45 PolarHBondContact O-N 3.45Å
42W80.1Confident71.3Confident92 Ų9273.8 Ų73.835%0.34837%0.37SS..Hα-helixtrans-61.2-37.8-179.7-74.9116.2000112.5T16 P19 S23 W38 M39 F45 A46T16-W42 HydrophobicContact CG2-CZ3 4.42Å; P19-W42 HydrophobicContact CB-CZ2 4.28Å; P19-W42 HydrophobicContact CG-CH2 4.38Å; P19-W42 HydrophobicContact CG-CZ2 4.44Å; S23-W42 PolarHBondContact OG-NE1 2.94Å; W38-W42 PolarHBondContact O-N 3.31Å; M39-W42 PolarHBondContact O-N 2.72Å; W42-F45 HydrophobicContact CE3-CD1 4.09Å; W42-F45 HydrophobicContact CZ3-CD1 4.07Å; W42-F45 HydrophobicContact CZ3-CE1 4.39Å; W42-F45 PolarHBondContact O-N 3.5Å; W42-A46 PolarHBondContact O-N 3.01Å
43I71.6Confident71.6Confident73 Ų7371.8 Ų71.837%0.37436%0.358SS..Hα-helixtrans-63.1-46.3174-65.6163.5000110.6M39 Y41 F45 A46 F47M39-I43 HydrophobicContact CG-CD1 4.34Å; M39-I43 WeakPolarHBondContact O-CG1 3.41Å; M39-I43 PolarHBondContact O-N 2.96Å; Y41-I43 VanDerWaalsContact C-N 3.31Å; Y41-I43 PolarHBondContact O-N 2.91Å; I43-F45 VanDerWaalsContact C-N 3.34Å; I43-F45 PolarHBondContact O-N 2.89Å; I43-A46 PolarHBondContact O-N 2.92Å; I43-F47 HydrophobicContact CG2-CD2 4Å; I43-F47 HydrophobicContact CG2-CE2 3.8Å; I43-F47 VanDerWaalsContact O-CD2 3.25Å; I43-F47 WeakPolarHBondContact O-CD2 3.42Å; I43-F47 PolarHBondContact O-N 2.9Å
44V69.9Low71.8Confident47 Ų4768.4 Ų68.429%0.28535%0.348SS..Hα-helixtrans-62.4-41.1176.3172.50000111.7M40 Y41 A46 F47 F48 Y88M40-V44 WeakPolarHBondContact O-CG2 3.14Å; M40-V44 PolarHBondContact O-N 3.43Å; Y41-V44 PolarHBondContact O-N 3.43Å; Y41-V44 VanDerWaalsContact O-N 3.14Å; V44-A46 PolarHBondContact O-N 3.44Å; V44-F47 PolarHBondContact O-N 3.14Å; V44-F48 WeakPolarHBondContact O-CB 3.33Å; V44-F48 PolarHBondContact O-N 3.25Å; V44-Y88 HydrophobicContact CG2-CD2 3.86Å; V44-Y88 HydrophobicContact CG2-CE2 3.52Å
45F70.7Confident71.9Confident24 Ų2466.9 Ų66.911%0.10534%0.344CS..Hα-helixtrans-64.2-37.6177.8-177.4-104000112.6G15 T16 Y41 W42 I43 F48 T49 L77G15-F45 WeakPolarHBondContact O-CE2 3.34Å; T16-F45 HydrophobicContact CG2-CE1 3.73Å; T16-F45 HydrophobicContact CG2-CZ 3.62Å; Y41-F45 HydrophobicContact CE1-CB 4.08Å; Y41-F45 HydrophobicContact CE1-CG 4.43Å; Y41-F45 WeakPolarHBondContact O-CB 3.5Å; Y41-F45 PolarHBondContact O-N 3.45Å; W42-F45 HydrophobicContact CE3-CD1 4.09Å; W42-F45 HydrophobicContact CZ3-CD1 4.07Å; W42-F45 HydrophobicContact CZ3-CE1 4.39Å; W42-F45 PolarHBondContact O-N 3.5Å; I43-F45 VanDerWaalsContact C-N 3.34Å; I43-F45 PolarHBondContact O-N 2.89Å; F45-F48 PolarHBondContact O-N 3.37Å; F45-T49 WeakPolarHBondContact O-CB 3.39Å; F45-T49 PolarHBondContact O-N 3.39Å; F45-T49 PolarHBondContact O-OG1 3.27Å; F45-L77 HydrophobicContact CD2-CD1 4.35Å; F45-L77 HydrophobicContact CE2-CD1 4.46Å
46A75.9Confident71.9Confident53 Ų5362.6 Ų62.644%0.43833%0.329SS..Hα-helixtrans-63.3-49.7173.700000111.8W42 I43 V44 F48 T49 T50W42-A46 PolarHBondContact O-N 3.01Å; I43-A46 PolarHBondContact O-N 2.92Å; V44-A46 PolarHBondContact O-N 3.44Å; A46-F48 VanDerWaalsContact C-N 3.3Å; A46-F48 PolarHBondContact O-N 3.26Å; A46-T49 WeakPolarHBondContact O-CB 3.31Å; A46-T49 PolarHBondContact O-N 2.98Å; A46-T50 PolarHBondContact O-N 3.5Å; A46-T50 VanDerWaalsContact O-N 3.09Å; A46-T50 PolarHBondContact O-OG1 3.17Å
47F72.1Confident72.2Confident94 Ų9464.4 Ų64.441%0.41234%0.335SS..Hα-helixtrans-60.4-39.2175.6-79.5-68.4000112.7I43 V44 T50 A51 L96I43-F47 HydrophobicContact CG2-CD2 4Å; I43-F47 HydrophobicContact CG2-CE2 3.8Å; I43-F47 VanDerWaalsContact O-CD2 3.25Å; I43-F47 WeakPolarHBondContact O-CD2 3.42Å; I43-F47 PolarHBondContact O-N 2.9Å; V44-F47 PolarHBondContact O-N 3.14Å; F47-T50 PolarHBondContact O-N 3.32Å; F47-A51 WeakPolarHBondContact O-CB 3.47Å; F47-A51 PolarHBondContact O-N 3.07Å; F47-L96 HydrophobicContact CE2-CD1 3.62Å; F47-L96 HydrophobicContact CZ-CD1 3.85Å
48F71.6Confident72.4Confident26 Ų2663 Ų6311%0.11434%0.336CS..Hα-helixtrans-60.9-45.1174.5176.5-87.2000111.9V11 V44 F45 A46 T50 A51 E52 V73 L76 L77V11-F48 HydrophobicContact CG1-CE1 3.88Å; V44-F48 WeakPolarHBondContact O-CB 3.33Å; V44-F48 PolarHBondContact O-N 3.25Å; F45-F48 PolarHBondContact O-N 3.37Å; A46-F48 VanDerWaalsContact C-N 3.3Å; A46-F48 PolarHBondContact O-N 3.26Å; F48-T50 VanDerWaalsContact C-N 3.3Å; F48-T50 PolarHBondContact O-N 3.01Å; F48-A51 PolarHBondContact O-N 3.17Å; F48-A51 VanDerWaalsContact O-N 3.12Å; F48-E52 PolarHBondContact O-N 3.12Å; F48-V73 HydrophobicContact CE1-CG1 4.43Å; F48-V73 HydrophobicContact CZ-CG1 3.71Å; F48-L76 HydrophobicContact CD2-CB 4.47Å; F48-L76 HydrophobicContact CE2-CB 3.83Å; F48-L77 HydrophobicContact CD1-CD1 3.77Å; F48-L77 HydrophobicContact CD2-CD1 4.3Å; F48-L77 HydrophobicContact CE1-CB 4.21Å; F48-L77 HydrophobicContact CE1-CD1 3.7Å; F48-L77 HydrophobicContact CE1-CD2 4.02Å; F48-L77 HydrophobicContact CE1-CG 4.19Å; F48-L77 HydrophobicContact CE2-CB 3.82Å; F48-L77 HydrophobicContact CE2-CD1 4.21Å; F48-L77 HydrophobicContact CG-CD1 4.08Å; F48-L77 HydrophobicContact CZ-CB 3.58Å; F48-L77 HydrophobicContact CZ-CD1 3.91Å; F48-L77 HydrophobicContact CZ-CD2 4.14Å; F48-L77 HydrophobicContact CZ-CG 4.08Å
49T74.2Confident72Confident32 Ų3263.8 Ų63.820%0.19634%0.343CS..Hα-helixtrans-61.6-38.2178.7-58.30000112F45 A46 T53F45-T49 WeakPolarHBondContact O-CB 3.39Å; F45-T49 PolarHBondContact O-N 3.39Å; F45-T49 PolarHBondContact O-OG1 3.27Å; A46-T49 WeakPolarHBondContact O-CB 3.31Å; A46-T49 PolarHBondContact O-N 2.98Å; T49-T53 PolarHBondContact O-N 3.12Å; T49-T53 VanDerWaalsContact O-N 3.14Å; T49-T53 PolarHBondContact O-OG1 2.96Å
50T73.3Confident71.8Confident93 Ų9363.2 Ų63.257%0.57135%0.348SS*.Hα-helixtrans-68.6-40.3173.6-53.20000111.8A46 F47 F48 T53 L54A46-T50 PolarHBondContact O-N 3.5Å; A46-T50 VanDerWaalsContact O-N 3.09Å; A46-T50 PolarHBondContact O-OG1 3.17Å; F47-T50 PolarHBondContact O-N 3.32Å; F48-T50 VanDerWaalsContact C-N 3.3Å; F48-T50 PolarHBondContact O-N 3.01Å; T50-T53 PolarHBondContact O-N 3.45Å; T50-L54 PolarHBondContact O-N 2.84Å
51A71.1Confident72.2Confident42 Ų4268.5 Ų68.535%0.34736%0.363SS..Hα-helixtrans-67-39.1177.700000112.5F47 F48 L54 T55F47-A51 WeakPolarHBondContact O-CB 3.47Å; F47-A51 PolarHBondContact O-N 3.07Å; F48-A51 PolarHBondContact O-N 3.17Å; F48-A51 VanDerWaalsContact O-N 3.12Å; A51-L54 PolarHBondContact O-N 3.38Å; A51-T55 VanDerWaalsContact O-CB 3.26Å; A51-T55 WeakPolarHBondContact O-CB 3.27Å; A51-T55 PolarHBondContact O-N 3.08Å; A51-T55 PolarHBondContact O-OG1 2.79Å
52E75Confident72.5Confident11 Ų1170.8 Ų70.85%0.05137%0.374CS..Hα-helixtrans-54.1-54.7168.7-176.9-175.1-149.300109.5R8 F48 L54 T55 D56R8-E52 IonicContact CZ-OE2 2.67Å; R8-E52 IonicContact NH1-OE2 3.25Å; R8-E52 PolarHBondContact NH1-OE2 2.99Å; F48-E52 PolarHBondContact O-N 3.12Å; E52-L54 PolarHBondContact O-N 2.8Å; E52-T55 PolarHBondContact O-N 3.45Å; E52-T55 VanDerWaalsContact O-N 3.11Å; E52-D56 PolarHBondContact O-N 2.83Å; E52-D56 VanDerWaalsContact O-OD1 3.09Å
53T72.9Confident71.6Confident66 Ų6672.1 Ų72.141%0.40539%0.394SS..Hα-helixtrans-58.9-41.4-179.6-51.20000113.1T49 T50 D56 I57T49-T53 PolarHBondContact O-N 3.12Å; T49-T53 VanDerWaalsContact O-N 3.14Å; T49-T53 PolarHBondContact O-OG1 2.96Å; T50-T53 PolarHBondContact O-N 3.45Å; T53-D56 WeakPolarHBondContact O-CB 3.24Å; T53-I57 HydrophobicContact CG2-CD1 4.35Å; T53-I57 WeakPolarHBondContact O-CD1 3.46Å; T53-I57 VanDerWaalsContact O-CG1 3.32Å; T53-I57 WeakPolarHBondContact O-CG1 3.48Å; T53-I57 PolarHBondContact O-N 2.88Å
54L71.2Confident71.4Confident108 Ų10876.3 Ų76.357%0.56541%0.41SS*.Hα-helixtrans-66.9-39.9177-174.168.2000111.8T50 A51 E52 I57 V58T50-L54 PolarHBondContact O-N 2.84Å; A51-L54 PolarHBondContact O-N 3.38Å; E52-L54 PolarHBondContact O-N 2.8Å; L54-I57 PolarHBondContact O-N 3.45Å; L54-V58 HydrophobicContact CD1-CG2 4.42Å; L54-V58 WeakPolarHBondContact O-CG2 3.29Å; L54-V58 PolarHBondContact O-N 2.87Å
55T70.2Confident71.2Confident39 Ų3975.9 Ų75.924%0.23940%0.404CS..Hα-helixtrans-69.4-37.3179.5-55.50000111.2A51 E52 L59 Y65A51-T55 VanDerWaalsContact O-CB 3.26Å; A51-T55 WeakPolarHBondContact O-CB 3.27Å; A51-T55 PolarHBondContact O-N 3.08Å; A51-T55 PolarHBondContact O-OG1 2.79Å; E52-T55 PolarHBondContact O-N 3.45Å; E52-T55 VanDerWaalsContact O-N 3.11Å; T55-L59 HydrophobicContact CG2-CD1 3.81Å; T55-L59 PolarHBondContact O-N 2.85Å; T55-L59 VanDerWaalsContact O-N 3.1Å; T55-Y65 HydrophobicContact CG2-CE1 3.96Å; T55-Y65 WeakPolarHBondContact CG2-OH 3.38Å
56D72.3Confident70.9Confident31 Ų3178.2 Ų78.217%0.16641%0.414CS..Hα-helixtrans-55.3-48.2169.3-86.142.7000111.6W4 E52 T53 S60 K69W4-D56 PolarHBondContact NE1-OD2 2.71Å; E52-D56 PolarHBondContact O-N 2.83Å; E52-D56 VanDerWaalsContact O-OD1 3.09Å; T53-D56 WeakPolarHBondContact O-CB 3.24Å; D56-S60 VanDerWaalsContact O-CB 3.24Å; D56-S60 WeakPolarHBondContact O-CB 3.19Å; D56-S60 PolarHBondContact O-N 3.5Å; D56-K69 WeakPolarHBondContact OD1-CE 3.4Å; D56-K69 IonicContact OD1-NZ 2.63Å; D56-K69 PolarHBondContact OD1-NZ 3.26Å; D56-K69 IonicContact OD2-NZ 3.5Å; D56-K69 PolarHBondContact OD2-NZ 3.46Å
57I73.6Confident70.9Confident115 Ų11582 Ų8259%0.5942%0.423SS*.Hα-helixtrans-65.6-55.2-179.8-66.1161.5000110.6T53 L54 L59 S60T53-I57 HydrophobicContact CG2-CD1 4.35Å; T53-I57 WeakPolarHBondContact O-CD1 3.46Å; T53-I57 VanDerWaalsContact O-CG1 3.32Å; T53-I57 WeakPolarHBondContact O-CG1 3.48Å; T53-I57 PolarHBondContact O-N 2.88Å; L54-I57 PolarHBondContact O-N 3.45Å; I57-L59 PolarHBondContact O-N 3.45Å; I57-S60 PolarHBondContact O-OG 3.22Å
58V71.4Confident70.8Confident91 Ų9183.3 Ų83.355%0.55243%0.433SS*.Hα-helixtrans-69.6-34.2-169.2174.20000113.4L54L54-V58 HydrophobicContact CD1-CG2 4.42Å; L54-V58 WeakPolarHBondContact O-CG2 3.29Å; L54-V58 PolarHBondContact O-N 2.87Å
59L68.6Low70.7Confident58 Ų5882.5 Ų82.530%0.30443%0.43SS..Hα-helixtrans-108.99.7-175.6-67115.9000114.1T55 I57 W61 F62 Y65T55-L59 HydrophobicContact CG2-CD1 3.81Å; T55-L59 PolarHBondContact O-N 2.85Å; T55-L59 VanDerWaalsContact O-N 3.1Å; I57-L59 PolarHBondContact O-N 3.45Å; L59-W61 PolarHBondContact O-N 2.84Å; L59-W61 VanDerWaalsContact O-N 3.16Å; L59-F62 PolarHBondContact O-N 3.18Å; L59-Y65 HydrophobicContact CB-CD1 3.37Å; L59-Y65 HydrophobicContact CB-CD2 4.35Å; L59-Y65 HydrophobicContact CB-CE1 3.29Å; L59-Y65 HydrophobicContact CB-CE2 4.3Å; L59-Y65 HydrophobicContact CB-CG 3.95Å; L59-Y65 HydrophobicContact CD1-CE1 4.12Å; L59-Y65 HydrophobicContact CD2-CD2 4.02Å; L59-Y65 HydrophobicContact CD2-CE1 4.31Å; L59-Y65 HydrophobicContact CD2-CE2 3.79Å; L59-Y65 HydrophobicContact CD2-CG 4.42Å; L59-Y65 HydrophobicContact CG-CD1 4.45Å; L59-Y65 HydrophobicContact CG-CE1 4.09Å; L59-Y65 HydrophobicContact CG-CE2 4.43Å
60S67.2Low70.5Confident75 Ų7582.6 Ų82.652%0.52443%0.428SS..THydrogen-bonded Turntrans-54.6-27.2171.754.30000114.2D56 I57 F62D56-S60 VanDerWaalsContact O-CB 3.24Å; D56-S60 WeakPolarHBondContact O-CB 3.19Å; D56-S60 PolarHBondContact O-N 3.5Å; I57-S60 PolarHBondContact O-OG 3.22Å; S60-F62 VanDerWaalsContact C-N 3.33Å; S60-F62 PolarHBondContact O-N 2.67Å
61W74.4Confident70.5Confident209 Ų20981 Ų8179%0.79242%0.424SS*.THydrogen-bonded Turntrans-76.3-11.4-176.980.4-69.4000115.1L59L59-W61 PolarHBondContact O-N 2.84Å; L59-W61 VanDerWaalsContact O-N 3.16Å
62F74.4Confident70.4Confident108 Ų10884 Ų8447%0.47443%0.43SS..  trans-105.9114.8-173.5-165.8-99000112.7L59 S60 F64 Y65L59-F62 PolarHBondContact O-N 3.18Å; S60-F62 VanDerWaalsContact C-N 3.33Å; S60-F62 PolarHBondContact O-N 2.67Å; F62-F64 VanDerWaalsContact C-N 3.35Å; F62-F64 HydrophobicContact CD1-CB 4.33Å; F62-F64 HydrophobicContact CE1-CB 3.85Å; F62-F64 PolarHBondContact O-N 3.4Å; F62-Y65 VanDerWaalsContact O-CB 3.22Å; F62-Y65 WeakPolarHBondContact O-CB 3.26Å; F62-Y65 PolarHBondContact O-N 3.28Å; F62-Y65 VanDerWaalsContact O-N 3.11Å
63P62.3Low70Confident120 Ų12083.8 Ų83.878%0.77943%0.43SS*.THydrogen-bonded Turntrans-71.4-21.1-16526.3-35000115.2
64F66.1Low69.9Low160 Ų16084.7 Ų84.770%0.70243%0.431SS*.THydrogen-bonded Turntrans-93.95.7176.5-144.8-98000113F62F62-F64 VanDerWaalsContact C-N 3.35Å; F62-F64 HydrophobicContact CD1-CB 4.33Å; F62-F64 HydrophobicContact CE1-CB 3.85Å; F62-F64 PolarHBondContact O-N 3.4Å
65Y65.8Low69.8Low39 Ų3985.8 Ų85.815%0.15343%0.428CS..Hα-helixtrans-74.3-37.1-171.7-172.7-121.3000113.3T55 L59 F62 E67 L68 K69T55-Y65 HydrophobicContact CG2-CE1 3.96Å; T55-Y65 WeakPolarHBondContact CG2-OH 3.38Å; L59-Y65 HydrophobicContact CB-CD1 3.37Å; L59-Y65 HydrophobicContact CB-CD2 4.35Å; L59-Y65 HydrophobicContact CB-CE1 3.29Å; L59-Y65 HydrophobicContact CB-CE2 4.3Å; L59-Y65 HydrophobicContact CB-CG 3.95Å; L59-Y65 HydrophobicContact CD1-CE1 4.12Å; L59-Y65 HydrophobicContact CD2-CD2 4.02Å; L59-Y65 HydrophobicContact CD2-CE1 4.31Å; L59-Y65 HydrophobicContact CD2-CE2 3.79Å; L59-Y65 HydrophobicContact CD2-CG 4.42Å; L59-Y65 HydrophobicContact CG-CD1 4.45Å; L59-Y65 HydrophobicContact CG-CE1 4.09Å; L59-Y65 HydrophobicContact CG-CE2 4.43Å; F62-Y65 VanDerWaalsContact O-CB 3.22Å; F62-Y65 WeakPolarHBondContact O-CB 3.26Å; F62-Y65 PolarHBondContact O-N 3.28Å; F62-Y65 VanDerWaalsContact O-N 3.11Å; Y65-E67 PolarHBondContact O-N 3.2Å; Y65-L68 PolarHBondContact O-N 2.82Å; Y65-K69 HydrophobicContact CD1-CB 3.78Å; Y65-K69 HydrophobicContact CD1-CD 3.76Å; Y65-K69 HydrophobicContact CD1-CG 4.02Å; Y65-K69 HydrophobicContact CD2-CB 4.36Å; Y65-K69 HydrophobicContact CE1-CB 3.51Å; Y65-K69 HydrophobicContact CE1-CD 3.51Å; Y65-K69 HydrophobicContact CE1-CG 3.43Å; Y65-K69 VanDerWaalsContact CE1-CG 3.43Å; Y65-K69 HydrophobicContact CE2-CB 4.12Å; Y65-K69 HydrophobicContact CG-CB 4.17Å; Y65-K69 WeakPolarHBondContact O-CB 3.32Å; Y65-K69 PolarHBondContact O-N 3.44Å
66F65.5Low69.4Low72 Ų7285.4 Ų85.432%0.31642%0.424SS..Hα-helixtrans-58.2-39-166.1-72.4-87.2000115K69 I70F66-K69 HydrophobicContact CD1-CD 4.39Å; F66-K69 WeakPolarHBondContact O-CB 3.09Å; F66-I70 WeakPolarHBondContact O-CB 3.33Å; F66-I70 WeakPolarHBondContact O-CD1 3.23Å; F66-I70 WeakPolarHBondContact O-CG1 3.41Å; F66-I70 PolarHBondContact O-N 3.1Å
67E75.8Confident68.9Low134 Ų13485.5 Ų85.563%0.62642%0.424SS*.Hα-helixtrans-71.6-49.7179.9-60.3-55.3143.600112Y65 K69 I70 A71Y65-E67 PolarHBondContact O-N 3.2Å; E67-K69 VanDerWaalsContact C-N 3.27Å; E67-K69 PolarHBondContact O-N 3.16Å; E67-I70 PolarHBondContact O-N 3.28Å; E67-A71 PolarHBondContact O-N 2.99Å
68L68.9Low68.3Low120 Ų12081.6 Ų81.663%0.62841%0.407SS*.Hα-helixtrans-61.7-36.5174.8-98.7159.3000111.9Y65 F72Y65-L68 PolarHBondContact O-N 2.82Å; L68-F72 WeakPolarHBondContact O-CB 3.25Å; L68-F72 PolarHBondContact O-N 3.18Å
69K71.4Confident67.3Low10 Ų1082.6 Ų82.64%0.04342%0.415CS..Hα-helixtrans-62.4-52.1173.6177.2-162.5-175.8-1730111.3D56 Y65 F66 E67 A71 F72 V73D56-K69 WeakPolarHBondContact OD1-CE 3.4Å; D56-K69 IonicContact OD1-NZ 2.63Å; D56-K69 PolarHBondContact OD1-NZ 3.26Å; D56-K69 IonicContact OD2-NZ 3.5Å; D56-K69 PolarHBondContact OD2-NZ 3.46Å; Y65-K69 HydrophobicContact CD1-CB 3.78Å; Y65-K69 HydrophobicContact CD1-CD 3.76Å; Y65-K69 HydrophobicContact CD1-CG 4.02Å; Y65-K69 HydrophobicContact CD2-CB 4.36Å; Y65-K69 HydrophobicContact CE1-CB 3.51Å; Y65-K69 HydrophobicContact CE1-CD 3.51Å; Y65-K69 HydrophobicContact CE1-CG 3.43Å; Y65-K69 VanDerWaalsContact CE1-CG 3.43Å; Y65-K69 HydrophobicContact CE2-CB 4.12Å; Y65-K69 HydrophobicContact CG-CB 4.17Å; Y65-K69 WeakPolarHBondContact O-CB 3.32Å; Y65-K69 PolarHBondContact O-N 3.44Å; F66-K69 HydrophobicContact CD1-CD 4.39Å; F66-K69 WeakPolarHBondContact O-CB 3.09Å; E67-K69 VanDerWaalsContact C-N 3.27Å; E67-K69 PolarHBondContact O-N 3.16Å; K69-A71 VanDerWaalsContact C-N 3.31Å; K69-A71 PolarHBondContact O-N 3.31Å; K69-F72 CarbonylContact O-C 3.59Å; K69-F72 PolarHBondContact O-N 2.84Å; K69-F72 VanDerWaalsContact O-N 3.14Å; K69-V73 HydrophobicContact CG-CG2 4.15Å; K69-V73 VanDerWaalsContact O-CB 3.25Å; K69-V73 WeakPolarHBondContact O-CB 3.38Å; K69-V73 WeakPolarHBondContact O-CG2 3.11Å; K69-V73 PolarHBondContact O-N 2.8Å
70I70Confident66Low33 Ų3389.8 Ų89.817%0.16944%0.44CS..Hα-helixtrans-62.3-42.5-179.3-70.4164.8000110.1S3 F66 E67 F72 V73 I74S3-I70 WeakPolarHBondContact OG-CD1 3.26Å; F66-I70 WeakPolarHBondContact O-CB 3.33Å; F66-I70 WeakPolarHBondContact O-CD1 3.23Å; F66-I70 WeakPolarHBondContact O-CG1 3.41Å; F66-I70 PolarHBondContact O-N 3.1Å; E67-I70 PolarHBondContact O-N 3.28Å; I70-F72 PolarHBondContact O-N 2.66Å; I70-V73 PolarHBondContact O-N 3.42Å; I70-I74 HydrophobicContact CG2-CD1 3.68Å; I70-I74 HydrophobicContact CG2-CG1 4.39Å; I70-I74 WeakPolarHBondContact O-CB 3.36Å; I70-I74 VanDerWaalsContact O-CG1 3.26Å; I70-I74 WeakPolarHBondContact O-CG1 3.45Å; I70-I74 PolarHBondContact O-N 2.9Å
71A71.5Confident64.9Low59 Ų5989.6 Ų89.649%0.48844%0.436SS..Hα-helixtrans-59.7-44.3172.900000112.4E67 K69 W75E67-A71 PolarHBondContact O-N 2.99Å; K69-A71 VanDerWaalsContact C-N 3.31Å; K69-A71 PolarHBondContact O-N 3.31Å; A71-W75 WeakPolarHBondContact O-CB 3Å; A71-W75 PolarHBondContact O-N 3.14Å
72F69Low63.7Low105 Ų10586.9 Ų86.946%0.46143%0.43SS..Hα-helixtrans-68.5-40.7178.8-172.1-115.8000112.8L68 K69 I70 W75 L76L68-F72 WeakPolarHBondContact O-CB 3.25Å; L68-F72 PolarHBondContact O-N 3.18Å; K69-F72 CarbonylContact O-C 3.59Å; K69-F72 PolarHBondContact O-N 2.84Å; K69-F72 VanDerWaalsContact O-N 3.14Å; I70-F72 PolarHBondContact O-N 2.66Å; F72-W75 HydrophobicContact CD2-CE3 4.07Å; F72-W75 HydrophobicContact CD2-CZ3 4.43Å; F72-W75 HydrophobicContact CE2-CE3 4.09Å; F72-W75 HydrophobicContact CE2-CZ3 4.01Å; F72-W75 PolarHBondContact O-N 3.3Å; F72-L76 HydrophobicContact CD1-CD1 3.55Å; F72-L76 HydrophobicContact CD2-CD1 4.38Å; F72-L76 HydrophobicContact CE1-CD1 3.33Å; F72-L76 HydrophobicContact CE2-CD1 4.19Å; F72-L76 HydrophobicContact CG-CD1 4.09Å; F72-L76 HydrophobicContact CZ-CD1 3.68Å; F72-L76 WeakPolarHBondContact O-CB 3.41Å; F72-L76 WeakPolarHBondContact O-CD1 3.32Å; F72-L76 PolarHBondContact O-N 2.95Å
73V68.4Low62.7Low8 Ų882 Ų825%0.04841%0.41CS..Hα-helixtrans-64.1-47.1176166.10000110.1V11 F48 K69 I70 W75 L76 L77V11-V73 HydrophobicContact CG2-CG1 3.92Å; F48-V73 HydrophobicContact CE1-CG1 4.43Å; F48-V73 HydrophobicContact CZ-CG1 3.71Å; K69-V73 HydrophobicContact CG-CG2 4.15Å; K69-V73 VanDerWaalsContact O-CB 3.25Å; K69-V73 WeakPolarHBondContact O-CB 3.38Å; K69-V73 WeakPolarHBondContact O-CG2 3.11Å; K69-V73 PolarHBondContact O-N 2.8Å; I70-V73 PolarHBondContact O-N 3.42Å; V73-W75 VanDerWaalsContact C-N 3.34Å; V73-W75 PolarHBondContact O-N 2.96Å; V73-L76 PolarHBondContact O-N 3.11Å; V73-L77 WeakPolarHBondContact O-CB 3.3Å; V73-L77 PolarHBondContact O-N 3.33Å
74I68.8Low62.1Low84 Ų8478 Ų7843%0.43139%0.385SS..Hα-helixtrans-63.8-39.2173.6-68.5169.9000110.9I70 L77 S78I70-I74 HydrophobicContact CG2-CD1 3.68Å; I70-I74 HydrophobicContact CG2-CG1 4.39Å; I70-I74 WeakPolarHBondContact O-CB 3.36Å; I70-I74 VanDerWaalsContact O-CG1 3.26Å; I70-I74 WeakPolarHBondContact O-CG1 3.45Å; I70-I74 PolarHBondContact O-N 2.9Å; I74-L77 PolarHBondContact O-N 3.39Å; I74-S78 VanDerWaalsContact O-CB 3.27Å; I74-S78 WeakPolarHBondContact O-CB 3.24Å; I74-S78 PolarHBondContact O-N 3.12Å
75W69.1Low61.2Low132 Ų13273.7 Ų73.750%0.538%0.375SS..Hα-helixtrans-67.8-34.3177.9-179.984.6000113.4A71 F72 V73 T81A71-W75 WeakPolarHBondContact O-CB 3Å; A71-W75 PolarHBondContact O-N 3.14Å; F72-W75 HydrophobicContact CD2-CE3 4.07Å; F72-W75 HydrophobicContact CD2-CZ3 4.43Å; F72-W75 HydrophobicContact CE2-CE3 4.09Å; F72-W75 HydrophobicContact CE2-CZ3 4.01Å; F72-W75 PolarHBondContact O-N 3.3Å; V73-W75 VanDerWaalsContact C-N 3.34Å; V73-W75 PolarHBondContact O-N 2.96Å; W75-T81 PolarHBondContact O-OG1 3.48Å
76L62.9Low60.5Low31 Ų3176.8 Ų76.816%0.16240%0.397CS..Hα-helixtrans-73.7-39.9171.8-89.8150.8000112.6F48 F72 V73 L87F48-L76 HydrophobicContact CD2-CB 4.47Å; F48-L76 HydrophobicContact CE2-CB 3.83Å; F72-L76 HydrophobicContact CD1-CD1 3.55Å; F72-L76 HydrophobicContact CD2-CD1 4.38Å; F72-L76 HydrophobicContact CE1-CD1 3.33Å; F72-L76 HydrophobicContact CE2-CD1 4.19Å; F72-L76 HydrophobicContact CG-CD1 4.09Å; F72-L76 HydrophobicContact CZ-CD1 3.68Å; F72-L76 WeakPolarHBondContact O-CB 3.41Å; F72-L76 WeakPolarHBondContact O-CD1 3.32Å; F72-L76 PolarHBondContact O-N 2.95Å; V73-L76 PolarHBondContact O-N 3.11Å; L76-L87 HydrophobicContact CD2-CD2 4.02Å
77L61.7Low60.3Low33 Ų3377 Ų7717%0.17340%0.401CS..Hα-helixtrans-74.4-27.4-179.8-169.456000112.4V11 F45 F48 V73 I74 P79V11-L77 HydrophobicContact CB-CD2 4.09Å; V11-L77 HydrophobicContact CG1-CD2 3.91Å; V11-L77 HydrophobicContact CG2-CD2 3.9Å; F45-L77 HydrophobicContact CD2-CD1 4.35Å; F45-L77 HydrophobicContact CE2-CD1 4.46Å; F48-L77 HydrophobicContact CD1-CD1 3.77Å; F48-L77 HydrophobicContact CD2-CD1 4.3Å; F48-L77 HydrophobicContact CE1-CB 4.21Å; F48-L77 HydrophobicContact CE1-CD1 3.7Å; F48-L77 HydrophobicContact CE1-CD2 4.02Å; F48-L77 HydrophobicContact CE1-CG 4.19Å; F48-L77 HydrophobicContact CE2-CB 3.82Å; F48-L77 HydrophobicContact CE2-CD1 4.21Å; F48-L77 HydrophobicContact CG-CD1 4.08Å; F48-L77 HydrophobicContact CZ-CB 3.58Å; F48-L77 HydrophobicContact CZ-CD1 3.91Å; F48-L77 HydrophobicContact CZ-CD2 4.14Å; F48-L77 HydrophobicContact CZ-CG 4.08Å; V73-L77 WeakPolarHBondContact O-CB 3.3Å; V73-L77 PolarHBondContact O-N 3.33Å; I74-L77 PolarHBondContact O-N 3.39Å; L77-P79 WeakPolarHBondContact O-CD 3.26Å; L77-P79 VanDerWaalsContact O-N 3.1Å
78S60.6Low59Low32 Ų3274.4 Ų74.422%0.22439%0.386CS..  trans-57.3114.1-179.2178.50000110.8I74 Y80 T81I74-S78 VanDerWaalsContact O-CB 3.27Å; I74-S78 WeakPolarHBondContact O-CB 3.24Å; I74-S78 PolarHBondContact O-N 3.12Å; S78-Y80 PolarHBondContact O-N 3.09Å; S78-Y80 PolarHBondContact OG-N 3.38Å; S78-T81 WeakPolarHBondContact CB-OG1 3.44Å; S78-T81 PolarHBondContact OG-OG1 3.46Å
79P51.2Low58.3Low112 Ų11278.7 Ų78.773%0.72739%0.394SS*.SBendtrans-69.7-3.9176.130.5-35000112.2L77L77-P79 WeakPolarHBondContact O-CD 3.26Å; L77-P79 VanDerWaalsContact O-N 3.1Å
80Y40.6Very low57.4Low209 Ų20985.9 Ų85.982%0.8243%0.425SS*.SBendtrans-92.3-37.3-172.3-153-101.4000113.4S78S78-Y80 PolarHBondContact O-N 3.09Å; S78-Y80 PolarHBondContact OG-N 3.38Å
81T45.4Very low56.7Low71 Ų7190.8 Ų90.844%0.43645%0.446SS..SBendtrans-94.24.3-167.9350000115.8W75 S78 G83W75-T81 PolarHBondContact O-OG1 3.48Å; S78-T81 WeakPolarHBondContact CB-OG1 3.44Å; S78-T81 PolarHBondContact OG-OG1 3.46Å; T81-G83 PolarHBondContact O-N 2.82Å
82K47.9Very low55.8Low152 Ų15289 Ų8966%0.66143%0.428SS*.  trans58.810178.6-58.3-175.6176.666.70116.2S84 S85K82-S84 VanDerWaalsContact C-N 3.29Å; K82-S84 PolarHBondContact O-N 3.32Å; K82-S85 WeakPolarHBondContact O-CB 3.44Å; K82-S85 PolarHBondContact O-N 3.26Å
83G53.5Low54.5Low6 Ų690 Ų906%0.06243%0.434CS..Hα-helixtrans-58.1-42.3174.900000112.1T81 S85 V86 L87T81-G83 PolarHBondContact O-N 2.82Å; G83-S85 VanDerWaalsContact C-N 3.3Å; G83-S85 PolarHBondContact O-N 3.16Å; G83-V86 PolarHBondContact O-N 2.85Å; G83-L87 PolarHBondContact O-N 2.79Å
84S50Low53.7Low37 Ų3792.9 Ų92.926%0.25945%0.454SS..Hα-helixtrans-56.9-35171.756.60000113.7K82 V86 L87 Y88K82-S84 VanDerWaalsContact C-N 3.29Å; K82-S84 PolarHBondContact O-N 3.32Å; S84-V86 VanDerWaalsContact C-N 3.34Å; S84-V86 PolarHBondContact O-N 3.39Å; S84-L87 PolarHBondContact O-N 3.17Å; S84-Y88 VanDerWaalsContact O-CB 3.32Å; S84-Y88 WeakPolarHBondContact O-CB 3.38Å; S84-Y88 PolarHBondContact O-N 3.38Å
85S46.6Very low52.9Low69 Ų6991.9 Ų91.948%0.48345%0.451SS..Hα-helixtrans-67.1-29.5178.6-78.60000114K82 G83 R89K82-S85 WeakPolarHBondContact O-CB 3.44Å; K82-S85 PolarHBondContact O-N 3.26Å; G83-S85 VanDerWaalsContact C-N 3.3Å; G83-S85 PolarHBondContact O-N 3.16Å; S85-R89 PolarHBondContact O-N 3.11Å; S85-R89 VanDerWaalsContact O-N 3.16Å
86V51.9Low51.9Low104 Ų10488.1 Ų88.163%0.6344%0.441SS*.Hα-helixtrans-73.6-41.9175.41800000110.1G83 S84 Y88 R89 K90G83-V86 PolarHBondContact O-N 2.85Å; S84-V86 VanDerWaalsContact C-N 3.34Å; S84-V86 PolarHBondContact O-N 3.39Å; V86-Y88 VanDerWaalsContact C-N 3.32Å; V86-R89 PolarHBondContact O-N 3.23Å; V86-K90 WeakPolarHBondContact O-CB 3.25Å; V86-K90 PolarHBondContact O-N 2.78Å
87L60.5Low51.1Low75 Ų7590.5 Ų90.539%0.39346%0.46SS..Hα-helixtrans-64.1-38.2172.5-165.871.3000111.4L76 G83 S84 R89 K90 F91 V92L76-L87 HydrophobicContact CD2-CD2 4.02Å; G83-L87 PolarHBondContact O-N 2.79Å; S84-L87 PolarHBondContact O-N 3.17Å; L87-R89 PolarHBondContact O-N 3.33Å; L87-K90 PolarHBondContact O-N 3.22Å; L87-F91 HydrophobicContact CD1-CB 4.36Å; L87-F91 HydrophobicContact CD1-CD2 3.6Å; L87-F91 HydrophobicContact CD1-CE2 4.2Å; L87-F91 HydrophobicContact CD1-CG 4.2Å; L87-F91 PolarHBondContact O-N 2.84Å; L87-V92 PolarHBondContact O-N 3.22Å
88Y49.4Very low50.4Low80 Ų8095 Ų9531%0.31448%0.484SS..Iπ-helixtrans-61.1-45177.7-159.4-88000111.9V44 S84 V86 K90 V92 H93V44-Y88 HydrophobicContact CG2-CD2 3.86Å; V44-Y88 HydrophobicContact CG2-CE2 3.52Å; S84-Y88 VanDerWaalsContact O-CB 3.32Å; S84-Y88 WeakPolarHBondContact O-CB 3.38Å; S84-Y88 PolarHBondContact O-N 3.38Å; V86-Y88 VanDerWaalsContact C-N 3.32Å; Y88-K90 PolarHBondContact O-N 2.64Å; Y88-V92 HydrophobicContact CD1-CB 4.46Å; Y88-V92 HydrophobicContact CD2-CB 3.89Å; Y88-V92 HydrophobicContact CD2-CG1 3.91Å; Y88-V92 HydrophobicContact CD2-CG2 3.91Å; Y88-V92 HydrophobicContact CE1-CG1 4.46Å; Y88-V92 HydrophobicContact CE2-CB 4.21Å; Y88-V92 HydrophobicContact CE2-CG1 3.7Å; Y88-V92 HydrophobicContact CE2-CG2 4.47Å; Y88-V92 HydrophobicContact CG-CB 4.03Å; Y88-V92 HydrophobicContact CG-CG1 4.39Å; Y88-V92 HydrophobicContact CG-CG2 4.3Å; Y88-V92 CarbonylContact O-C 3.6Å; Y88-V92 WeakPolarHBondContact O-CB 3.32Å; Y88-V92 PolarHBondContact O-N 3.32Å; Y88-H93 PolarHBondContact O-N 3.24Å
89R52.8Low50Low211 Ų21197.9 Ų97.980%0.79649%0.493SS*.Iπ-helixtrans-68.9-29.8175.4-88.2-175.8168.5175.1-2.9114.3S85 V86 L87S85-R89 PolarHBondContact O-N 3.11Å; S85-R89 VanDerWaalsContact O-N 3.16Å; V86-R89 PolarHBondContact O-N 3.23Å; L87-R89 PolarHBondContact O-N 3.33Å
90K53.4Low50Low161 Ų16198.7 Ų98.770%0.749%0.487SS*.Iπ-helixtrans-99.8-28.2-170.1-149.4177.9-175.3-1730114.7V86 L87 Y88 P94V86-K90 WeakPolarHBondContact O-CB 3.25Å; V86-K90 PolarHBondContact O-N 2.78Å; L87-K90 PolarHBondContact O-N 3.22Å; Y88-K90 PolarHBondContact O-N 2.64Å; K90-P94 WeakPolarHBondContact O-CG 3.22Å
91F55.2Low50.6Low136 Ų13696.9 Ų96.960%0.59648%0.483SS*.Iπ-helixtrans-118.6-43.3178.9-82.5-93.6000112.9L87 P94 T95L87-F91 HydrophobicContact CD1-CB 4.36Å; L87-F91 HydrophobicContact CD1-CD2 3.6Å; L87-F91 HydrophobicContact CD1-CE2 4.2Å; L87-F91 HydrophobicContact CD1-CG 4.2Å; L87-F91 PolarHBondContact O-N 2.84Å; F91-P94 WeakPolarHBondContact O-CD 3.18Å; F91-P94 WeakPolarHBondContact O-CG 3.05Å; F91-T95 VanDerWaalsContact O-CB 3.25Å; F91-T95 WeakPolarHBondContact O-CB 3.48Å; F91-T95 PolarHBondContact O-N 2.84Å; F91-T95 PolarHBondContact O-OG1 2.67Å
92V52.3Low51Low20 Ų2097.3 Ų97.312%0.12148%0.48CS..Iπ-helixtrans-72.7-47.9-177-173.60000111.1L87 Y88 T95 L96L87-V92 PolarHBondContact O-N 3.22Å; Y88-V92 HydrophobicContact CD1-CB 4.46Å; Y88-V92 HydrophobicContact CD2-CB 3.89Å; Y88-V92 HydrophobicContact CD2-CG1 3.91Å; Y88-V92 HydrophobicContact CD2-CG2 3.91Å; Y88-V92 HydrophobicContact CE1-CG1 4.46Å; Y88-V92 HydrophobicContact CE2-CB 4.21Å; Y88-V92 HydrophobicContact CE2-CG1 3.7Å; Y88-V92 HydrophobicContact CE2-CG2 4.47Å; Y88-V92 HydrophobicContact CG-CB 4.03Å; Y88-V92 HydrophobicContact CG-CG1 4.39Å; Y88-V92 HydrophobicContact CG-CG2 4.3Å; Y88-V92 CarbonylContact O-C 3.6Å; Y88-V92 WeakPolarHBondContact O-CB 3.32Å; Y88-V92 PolarHBondContact O-N 3.32Å; V92-T95 PolarHBondContact O-N 3.43Å; V92-T95 VanDerWaalsContact O-N 3.12Å; V92-L96 HydrophobicContact CG1-CB 4.44Å; V92-L96 HydrophobicContact CG1-CD1 4.06Å; V92-L96 HydrophobicContact CG1-CD2 4.13Å; V92-L96 HydrophobicContact CG1-CG 4.45Å; V92-L96 WeakPolarHBondContact O-CB 2.95Å; V92-L96 PolarHBondContact O-N 2.96Å
93H42.1Very low51.5Low126 Ų12694.3 Ų94.358%0.58347%0.47SS*.Hα-helixtrans-55.9-42-179.4-158.6-54.8000115Y88 S97Y88-H93 PolarHBondContact O-N 3.24Å; H93-S97 VanDerWaalsContact O-CB 3.3Å; H93-S97 WeakPolarHBondContact O-CB 3.37Å
94P51.1Low51.8Low70 Ų7098.8 Ų98.846%0.45549%0.493SS..Hα-helixtrans-76.7-33.4172.627.8-33.7000113.6K90 F91 N98K90-P94 WeakPolarHBondContact O-CG 3.22Å; F91-P94 WeakPolarHBondContact O-CD 3.18Å; F91-P94 WeakPolarHBondContact O-CG 3.05Å; P94-N98 VanDerWaalsContact O-CB 3.27Å; P94-N98 WeakPolarHBondContact O-CB 3.45Å; P94-N98 PolarHBondContact O-N 3.17Å
95T52.3Low52.3Low62 Ų62103.6 Ų103.638%0.3851%0.511SS..Hα-helixtrans-76.2-44.6-176.7-50.80000112F91 V92 K99F91-T95 VanDerWaalsContact O-CB 3.25Å; F91-T95 WeakPolarHBondContact O-CB 3.48Å; F91-T95 PolarHBondContact O-N 2.84Å; F91-T95 PolarHBondContact O-OG1 2.67Å; V92-T95 PolarHBondContact O-N 3.43Å; V92-T95 VanDerWaalsContact O-N 3.12Å; T95-K99 HydrophobicContact CG2-CG 4.35Å; T95-K99 VanDerWaalsContact O-CB 3.24Å; T95-K99 WeakPolarHBondContact O-CB 3.49Å; T95-K99 WeakPolarHBondContact O-CG 3.39Å; T95-K99 PolarHBondContact O-N 3.03Å
96L49.3Very low53Low53 Ų53107.5 Ų107.528%0.27752%0.516SS..Hα-helixtrans-64.3-51.9177.3-117.865000110.9F47 V92 N98 K99 E100F47-L96 HydrophobicContact CE2-CD1 3.62Å; F47-L96 HydrophobicContact CZ-CD1 3.85Å; V92-L96 HydrophobicContact CG1-CB 4.44Å; V92-L96 HydrophobicContact CG1-CD1 4.06Å; V92-L96 HydrophobicContact CG1-CD2 4.13Å; V92-L96 HydrophobicContact CG1-CG 4.45Å; V92-L96 WeakPolarHBondContact O-CB 2.95Å; V92-L96 PolarHBondContact O-N 2.96Å; L96-N98 PolarHBondContact O-N 3.41Å; L96-N98 VanDerWaalsContact O-N 3.08Å; L96-K99 PolarHBondContact O-N 3.39Å; L96-K99 VanDerWaalsContact O-N 3.12Å; L96-E100 VanDerWaalsContact O-CB 3.29Å; L96-E100 WeakPolarHBondContact O-CB 3.42Å; L96-E100 PolarHBondContact O-N 3.43Å
97S46.1Very low53.6Low81 Ų81106.9 Ų106.957%0.56651%0.509SS*.Hα-helixtrans-61.9-22.7-177.7-177.50000114.2H93H93-S97 VanDerWaalsContact O-CB 3.3Å; H93-S97 WeakPolarHBondContact O-CB 3.37Å
98N46.6Very low53.8Low128 Ų128106.9 Ų106.968%0.68451%0.512SS*.Hα-helixtrans-96.8-23.6178.8-155.235.9000112.6P94 L96P94-N98 VanDerWaalsContact O-CB 3.27Å; P94-N98 WeakPolarHBondContact O-CB 3.45Å; P94-N98 PolarHBondContact O-N 3.17Å; L96-N98 PolarHBondContact O-N 3.41Å; L96-N98 VanDerWaalsContact O-N 3.08Å
99K51.3Low54.8Low92 Ų92107.3 Ų107.340%0.452%0.517SS..Hα-helixtrans-94.7-22.5177.7-73.2-74.7172.2-168.60114.3T95 L96 K101 E102 I103T95-K99 HydrophobicContact CG2-CG 4.35Å; T95-K99 VanDerWaalsContact O-CB 3.24Å; T95-K99 WeakPolarHBondContact O-CB 3.49Å; T95-K99 WeakPolarHBondContact O-CG 3.39Å; T95-K99 PolarHBondContact O-N 3.03Å; L96-K99 PolarHBondContact O-N 3.39Å; L96-K99 VanDerWaalsContact O-N 3.12Å; K99-K101 PolarHBondContact O-N 3.47Å; K99-E102 VanDerWaalsContact CD-OE2 3.29Å; K99-E102 WeakPolarHBondContact CD-OE2 3.36Å; K99-E102 WeakPolarHBondContact CE-OE2 3.21Å; K99-E102 IonicContact NZ-OE1 3.79Å; K99-E102 IonicContact NZ-OE2 2.64Å; K99-E102 PolarHBondContact NZ-OE2 3.14Å; K99-E102 PolarHBondContact O-N 2.96Å; K99-I103 HydrophobicContact CB-CD1 3.91Å; K99-I103 HydrophobicContact CB-CG1 4.47Å; K99-I103 VanDerWaalsContact O-CB 3.26Å; K99-I103 WeakPolarHBondContact O-CB 3.49Å; K99-I103 WeakPolarHBondContact O-CG1 3.5Å; K99-I103 PolarHBondContact O-N 2.94Å
100E52Low55.7Low129 Ų129100.1 Ų100.160%0.60350%0.502SS*.Hα-helixtrans-59.4-46.7-178.1-167.9168.8-135.700111.8L96 D104L96-E100 VanDerWaalsContact O-CB 3.29Å; L96-E100 WeakPolarHBondContact O-CB 3.42Å; L96-E100 PolarHBondContact O-N 3.43Å; E100-D104 WeakPolarHBondContact O-CB 3.45Å; E100-D104 PolarHBondContact O-N 2.85Å
101K52.1Low56.4Low172 Ų172100.5 Ų100.575%0.74850%0.499SS*.Hα-helixtrans-62-46.8173.2-79.1-170.8171.4-1710113.4K99 I103 D104 E105K99-K101 PolarHBondContact O-N 3.47Å; K101-I103 VanDerWaalsContact C-N 3.33Å; K101-I103 PolarHBondContact O-N 3.37Å; K101-D104 PolarHBondContact O-N 3.5Å; K101-E105 VanDerWaalsContact O-CB 3.25Å; K101-E105 WeakPolarHBondContact O-CB 3.41Å; K101-E105 PolarHBondContact O-N 2.84Å
102E55Low57.4Low79 Ų7998.4 Ų98.437%0.36949%0.494SS..Hα-helixtrans-66.1-39-177-161.6-178-167.600110.7K99 Y106K99-E102 VanDerWaalsContact CD-OE2 3.29Å; K99-E102 WeakPolarHBondContact CD-OE2 3.36Å; K99-E102 WeakPolarHBondContact CE-OE2 3.21Å; K99-E102 IonicContact NZ-OE1 3.79Å; K99-E102 IonicContact NZ-OE2 2.64Å; K99-E102 PolarHBondContact NZ-OE2 3.14Å; K99-E102 PolarHBondContact O-N 2.96Å; E102-Y106 HydrophobicContact CG-CD2 4.01Å; E102-Y106 HydrophobicContact CG-CE2 3.97Å; E102-Y106 WeakPolarHBondContact O-CB 3.4Å; E102-Y106 WeakPolarHBondContact O-CD2 3.4Å; E102-Y106 PolarHBondContact O-N 3.33Å
103I58.3Low58.5Low89 Ų89103 Ų10346%0.45651%0.513SS..Hα-helixtrans-69.1-44.6176.6-69.2167.7000111.2K99 K101 E105 Y106 I107K99-I103 HydrophobicContact CB-CD1 3.91Å; K99-I103 HydrophobicContact CB-CG1 4.47Å; K99-I103 VanDerWaalsContact O-CB 3.26Å; K99-I103 WeakPolarHBondContact O-CB 3.49Å; K99-I103 WeakPolarHBondContact O-CG1 3.5Å; K99-I103 PolarHBondContact O-N 2.94Å; K101-I103 VanDerWaalsContact C-N 3.33Å; K101-I103 PolarHBondContact O-N 3.37Å; I103-E105 VanDerWaalsContact C-N 3.31Å; I103-E105 PolarHBondContact O-N 3.17Å; I103-Y106 PolarHBondContact O-N 3.39Å; I103-I107 HydrophobicContact CG2-CD1 3.55Å; I103-I107 HydrophobicContact CG2-CG1 4.22Å; I103-I107 VanDerWaalsContact O-CB 3.32Å; I103-I107 WeakPolarHBondContact O-CB 3.48Å; I103-I107 VanDerWaalsContact O-CG1 3.23Å; I103-I107 WeakPolarHBondContact O-CG1 3.25Å; I103-I107 PolarHBondContact O-N 3.37Å
104D58.4Low60.1Low100 Ų100100.4 Ų100.454%0.53551%0.509SS..Hα-helixtrans-62.6-38.8175.2-90.7-2.6000111.9E100 K101 I107 T108E100-D104 WeakPolarHBondContact O-CB 3.45Å; E100-D104 PolarHBondContact O-N 2.85Å; K101-D104 PolarHBondContact O-N 3.5Å; D104-I107 PolarHBondContact O-N 3.06Å; D104-T108 VanDerWaalsContact O-CB 3.29Å; D104-T108 WeakPolarHBondContact O-CB 3.44Å; D104-T108 PolarHBondContact O-N 2.88Å; D104-T108 PolarHBondContact O-OG1 3.22Å
105E62.4Low61.6Low139 Ų139104.5 Ų104.565%0.6552%0.516SS*.Hα-helixtrans-68.3-41.9177.2-165.4161.6-147.900111.3K101 I103 Q109K101-E105 VanDerWaalsContact O-CB 3.25Å; K101-E105 WeakPolarHBondContact O-CB 3.41Å; K101-E105 PolarHBondContact O-N 2.84Å; I103-E105 VanDerWaalsContact C-N 3.31Å; I103-E105 PolarHBondContact O-N 3.17Å; E105-Q109 WeakPolarHBondContact O-CB 3.43Å; E105-Q109 PolarHBondContact O-N 2.88Å
106Y59.8Low63.1Low150 Ų150106.7 Ų106.759%0.58852%0.522SS*.Hα-helixtrans-66.5-39171.8-90-68.6000113.2E102 I103 A110E102-Y106 HydrophobicContact CG-CD2 4.01Å; E102-Y106 HydrophobicContact CG-CE2 3.97Å; E102-Y106 WeakPolarHBondContact O-CB 3.4Å; E102-Y106 WeakPolarHBondContact O-CD2 3.4Å; E102-Y106 PolarHBondContact O-N 3.33Å; I103-Y106 PolarHBondContact O-N 3.39Å; Y106-A110 WeakPolarHBondContact O-CB 3.18Å; Y106-A110 PolarHBondContact O-N 3.15Å
107I65Low64.8Low92 Ų92108 Ų10847%0.47253%0.533SS..Hα-helixtrans-68.3-42.4178-74.2171.7000110.6I103 D104 A110 R111I103-I107 HydrophobicContact CG2-CD1 3.55Å; I103-I107 HydrophobicContact CG2-CG1 4.22Å; I103-I107 VanDerWaalsContact O-CB 3.32Å; I103-I107 WeakPolarHBondContact O-CB 3.48Å; I103-I107 VanDerWaalsContact O-CG1 3.23Å; I103-I107 WeakPolarHBondContact O-CG1 3.25Å; I103-I107 PolarHBondContact O-N 3.37Å; D104-I107 PolarHBondContact O-N 3.06Å; I107-A110 PolarHBondContact O-N 3.46Å; I107-R111 WeakPolarHBondContact O-CB 3.47Å; I107-R111 PolarHBondContact O-N 2.99Å
108T64.8Low66.6Low74 Ų74110.9 Ų110.945%0.45454%0.539SS..Hα-helixtrans-64.2-50.8176.8-54.10000109.8D104 A110 R111 D112D104-T108 VanDerWaalsContact O-CB 3.29Å; D104-T108 WeakPolarHBondContact O-CB 3.44Å; D104-T108 PolarHBondContact O-N 2.88Å; D104-T108 PolarHBondContact O-OG1 3.22Å; T108-A110 VanDerWaalsContact C-N 3.31Å; T108-A110 PolarHBondContact O-N 3.47Å; T108-R111 WeakPolarHBondContact O-CB 3.35Å; T108-R111 PolarHBondContact O-N 3.4Å; T108-R111 VanDerWaalsContact O-N 3.09Å; T108-D112 VanDerWaalsContact O-CG 3.3Å; T108-D112 PolarHBondContact O-N 2.98Å
109Q70.9Confident68.4Low90 Ų90108.9 Ų108.942%0.42153%0.526SS..Hα-helixtrans-62.2-35.1177.5-166.8-172.110400113E105 K113E105-Q109 WeakPolarHBondContact O-CB 3.43Å; E105-Q109 PolarHBondContact O-N 2.88Å; Q109-K113 HydrophobicContact CG-CD 4.14Å; Q109-K113 VanDerWaalsContact O-CB 3.31Å; Q109-K113 WeakPolarHBondContact O-CB 3.14Å; Q109-K113 VanDerWaalsContact O-CG 3.24Å; Q109-K113 WeakPolarHBondContact O-CG 3.26Å; Q109-K113 PolarHBondContact O-N 3.43Å
110A71.8Confident70.1Confident59 Ų59110.9 Ų110.949%0.48853%0.531SS..Hα-helixtrans-69.9-38.4174.300000112Y106 I107 T108 S114Y106-A110 WeakPolarHBondContact O-CB 3.18Å; Y106-A110 PolarHBondContact O-N 3.15Å; I107-A110 PolarHBondContact O-N 3.46Å; T108-A110 VanDerWaalsContact C-N 3.31Å; T108-A110 PolarHBondContact O-N 3.47Å; A110-S114 WeakPolarHBondContact O-CB 3.36Å; A110-S114 PolarHBondContact O-N 2.92Å
111R67.8Low71.9Confident169 Ų169109.2 Ų109.264%0.63853%0.53SS*.Hα-helixtrans-62.2-47.7174.1-169.5-162.8-66.7-169.90.5110.6I107 T108 S114 Y115I107-R111 WeakPolarHBondContact O-CB 3.47Å; I107-R111 PolarHBondContact O-N 2.99Å; T108-R111 WeakPolarHBondContact O-CB 3.35Å; T108-R111 PolarHBondContact O-N 3.4Å; T108-R111 VanDerWaalsContact O-N 3.09Å; R111-S114 WeakPolarHBondContact O-CB 3.36Å; R111-S114 PolarHBondContact O-N 2.75Å; R111-Y115 PolarHBondContact O-N 3.14Å
112D75.9Confident73.8Confident92 Ų92102.6 Ų102.649%0.49251%0.511SS..Hα-helixtrans-65-47-178.3-62.2-24.9000111.3T108 S114 Y115 E116T108-D112 VanDerWaalsContact O-CG 3.3Å; T108-D112 PolarHBondContact O-N 2.98Å; D112-S114 VanDerWaalsContact C-N 3.29Å; D112-S114 PolarHBondContact O-N 3.44Å; D112-Y115 PolarHBondContact O-N 3.03Å; D112-E116 PolarHBondContact O-N 3.3Å
113K75.6Confident75.4Confident117 Ų117105.6 Ų105.651%0.50952%0.522SS..Hα-helixtrans-61.2-36.1173.9-74172.2175.7175.50112.7Q109 T117Q109-K113 HydrophobicContact CG-CD 4.14Å; Q109-K113 VanDerWaalsContact O-CB 3.31Å; Q109-K113 WeakPolarHBondContact O-CB 3.14Å; Q109-K113 VanDerWaalsContact O-CG 3.24Å; Q109-K113 WeakPolarHBondContact O-CG 3.26Å; Q109-K113 PolarHBondContact O-N 3.43Å; K113-T117 VanDerWaalsContact O-CB 3.3Å; K113-T117 WeakPolarHBondContact O-CB 3.22Å; K113-T117 PolarHBondContact O-N 3.38Å; K113-T117 PolarHBondContact O-OG1 3.29Å
114S76.3Confident77Confident71 Ų71109.8 Ų109.850%0.49753%0.532SS..Hα-helixtrans-65.9-48174.6-179.10000111A110 R111 D112 E116 T117 M118A110-S114 WeakPolarHBondContact O-CB 3.36Å; A110-S114 PolarHBondContact O-N 2.92Å; R111-S114 WeakPolarHBondContact O-CB 3.36Å; R111-S114 PolarHBondContact O-N 2.75Å; D112-S114 VanDerWaalsContact C-N 3.29Å; D112-S114 PolarHBondContact O-N 3.44Å; S114-E116 PolarHBondContact O-N 2.89Å; S114-T117 PolarHBondContact O-N 3.44Å; S114-M118 WeakPolarHBondContact O-CB 3.4Å; S114-M118 PolarHBondContact O-N 2.89Å
115Y81Confident78.5Confident156 Ų156106.9 Ų106.961%0.61253%0.526SS*.Hα-helixtrans-61-46.8177.7-129.5-106.1000111.3R111 D112 T117 M118 M119R111-Y115 PolarHBondContact O-N 3.14Å; D112-Y115 PolarHBondContact O-N 3.03Å; Y115-T117 VanDerWaalsContact C-N 3.34Å; Y115-T117 PolarHBondContact O-N 2.96Å; Y115-M118 PolarHBondContact O-N 3.27Å; Y115-M119 HydrophobicContact CD1-CE 3.77Å; Y115-M119 HydrophobicContact CD1-SD 4.16Å; Y115-M119 HydrophobicContact CG-CE 4.49Å; Y115-M119 WeakPolarHBondContact O-CB 3.27Å; Y115-M119 WeakPolarHBondContact O-CE 3.47Å; Y115-M119 VanDerWaalsContact O-CG 3.29Å; Y115-M119 WeakPolarHBondContact O-CG 3.22Å; Y115-M119 PolarHBondContact O-N 3.1Å
116E84.6Confident80Confident109 Ų109106.4 Ų106.451%0.50953%0.527SS..Hα-helixtrans-58.8-43.6174.4-77.6-155.5163.500112.8D112 S114 M119 R120D112-E116 PolarHBondContact O-N 3.3Å; S114-E116 PolarHBondContact O-N 2.89Å; E116-M119 PolarHBondContact O-N 2.84Å; E116-R120 WeakPolarHBondContact O-CB 3.38Å; E116-R120 PolarHBondContact O-N 3.41Å; E116-R120 IonicContact OE2-NH2 3.22Å; E116-R120 PolarHBondContact OE2-NH2 3.48Å
117T85.3Confident81.5Confident81 Ų81104.3 Ų104.350%0.49753%0.526SS..Hα-helixtrans-66.1-44.9-179.8-59.30000110.6K113 S114 Y115 R120 V121K113-T117 VanDerWaalsContact O-CB 3.3Å; K113-T117 WeakPolarHBondContact O-CB 3.22Å; K113-T117 PolarHBondContact O-N 3.38Å; K113-T117 PolarHBondContact O-OG1 3.29Å; S114-T117 PolarHBondContact O-N 3.44Å; Y115-T117 VanDerWaalsContact C-N 3.34Å; Y115-T117 PolarHBondContact O-N 2.96Å; T117-R120 PolarHBondContact O-N 3.41Å; T117-V121 WeakPolarHBondContact O-CG2 3.42Å; T117-V121 PolarHBondContact O-N 2.83Å
118M84.1Confident82.7Confident140 Ų140106 Ų10669%0.6954%0.536SS*.Hα-helixtrans-62-44.6176.4-175.6167169.300111.7S114 Y115 R120 V121 G122S114-M118 WeakPolarHBondContact O-CB 3.4Å; S114-M118 PolarHBondContact O-N 2.89Å; Y115-M118 PolarHBondContact O-N 3.27Å; M118-R120 PolarHBondContact O-N 3.04Å; M118-V121 PolarHBondContact O-N 3.33Å; M118-G122 PolarHBondContact O-N 3.41Å
119M84.1Confident84Confident87 Ų87105.4 Ų105.443%0.42954%0.538SS..Hα-helixtrans-64.2-37.2173.9-72.8-173.6-71.700112.6Y115 E116 K123Y115-M119 HydrophobicContact CD1-CE 3.77Å; Y115-M119 HydrophobicContact CD1-SD 4.16Å; Y115-M119 HydrophobicContact CG-CE 4.49Å; Y115-M119 WeakPolarHBondContact O-CB 3.27Å; Y115-M119 WeakPolarHBondContact O-CE 3.47Å; Y115-M119 VanDerWaalsContact O-CG 3.29Å; Y115-M119 WeakPolarHBondContact O-CG 3.22Å; Y115-M119 PolarHBondContact O-N 3.1Å; E116-M119 PolarHBondContact O-N 2.84Å; M119-K123 VanDerWaalsContact O-CB 3.31Å; M119-K123 WeakPolarHBondContact O-CB 3.31Å; M119-K123 VanDerWaalsContact O-CG 3.25Å; M119-K123 WeakPolarHBondContact O-CG 3.2Å; M119-K123 PolarHBondContact O-N 3.37Å
120R87.3Confident84.9Confident133 Ų133103.3 Ų103.350%0.50254%0.536SS..Hα-helixtrans-70.6-39.2178.6-169.8177.7-60.5166.86.8112E116 T117 M118 R124E116-R120 WeakPolarHBondContact O-CB 3.38Å; E116-R120 PolarHBondContact O-N 3.41Å; E116-R120 IonicContact OE2-NH2 3.22Å; E116-R120 PolarHBondContact OE2-NH2 3.48Å; T117-R120 PolarHBondContact O-N 3.41Å; M118-R120 PolarHBondContact O-N 3.04Å; R120-R124 WeakPolarHBondContact O-CB 3.47Å; R120-R124 VanDerWaalsContact O-CG 3.26Å; R120-R124 WeakPolarHBondContact O-CG 3.4Å; R120-R124 PolarHBondContact O-N 3.09Å; R120-R124 VanDerWaalsContact O-N 3.15Å
121V89.6Confident85.8Confident95 Ų95105.6 Ų105.658%0.57654%0.54SS*.Hα-helixtrans-68.1-46.7173172.50000110.4T117 M118 K123 R124 G125T117-V121 WeakPolarHBondContact O-CG2 3.42Å; T117-V121 PolarHBondContact O-N 2.83Å; M118-V121 PolarHBondContact O-N 3.33Å; V121-K123 PolarHBondContact O-N 3.48Å; V121-R124 PolarHBondContact O-N 2.82Å; V121-G125 PolarHBondContact O-N 2.85Å
122G91.7Very high86.8Confident33 Ų33100.3 Ų100.334%0.3453%0.533SS..Hα-helixtrans-57.4-50.3176.400000112.7M118 R124 G125 L126M118-G122 PolarHBondContact O-N 3.41Å; G122-R124 VanDerWaalsContact C-N 3.32Å; G122-R124 PolarHBondContact O-N 3.36Å; G122-G125 PolarHBondContact O-N 3.02Å; G122-G125 VanDerWaalsContact O-N 3.16Å; G122-L126 WeakPolarHBondContact O-CD1 3.48Å; G122-L126 PolarHBondContact O-N 3.06Å
123K89.9Confident87.6Confident142 Ų14298.8 Ų98.862%0.61753%0.533SS*.Hα-helixtrans-61.8-35.6176.9-73.3174.5-179.4-178.60112.9M119 V121 N127M119-K123 VanDerWaalsContact O-CB 3.31Å; M119-K123 WeakPolarHBondContact O-CB 3.31Å; M119-K123 VanDerWaalsContact O-CG 3.25Å; M119-K123 WeakPolarHBondContact O-CG 3.2Å; M119-K123 PolarHBondContact O-N 3.37Å; V121-K123 PolarHBondContact O-N 3.48Å; K123-N127 WeakPolarHBondContact O-CB 3.46Å; K123-N127 PolarHBondContact O-N 3.32Å; K123-N127 PolarHBondContact O-ND2 3.38Å
124R91.2Very high88.3Confident177 Ų17797.9 Ų97.967%0.66854%0.537SS*.Hα-helixtrans-68.2-41.8173.3-76.7173.4177.1177-2.4112R120 V121 G122 L128R120-R124 WeakPolarHBondContact O-CB 3.47Å; R120-R124 VanDerWaalsContact O-CG 3.26Å; R120-R124 WeakPolarHBondContact O-CG 3.4Å; R120-R124 PolarHBondContact O-N 3.09Å; R120-R124 VanDerWaalsContact O-N 3.15Å; V121-R124 PolarHBondContact O-N 2.82Å; G122-R124 VanDerWaalsContact C-N 3.32Å; G122-R124 PolarHBondContact O-N 3.36Å; R124-L128 WeakPolarHBondContact O-CB 3.37Å; R124-L128 PolarHBondContact O-N 3.19Å
125G89.3Confident88.7Confident39 Ų3997.7 Ų97.740%0.40253%0.533SS..Hα-helixtrans-61.5-48.3174.600000112.4V121 G122 L128 A129V121-G125 PolarHBondContact O-N 2.85Å; G122-G125 PolarHBondContact O-N 3.02Å; G122-G125 VanDerWaalsContact O-N 3.16Å; G125-L128 PolarHBondContact O-N 3.33Å; G125-A129 WeakPolarHBondContact O-CB 3.48Å; G125-A129 PolarHBondContact O-N 3.41Å
126L93.8Very high89Confident128 Ų12893.3 Ų93.367%0.6753%0.529SS*.Hα-helixtrans-61.9-45.1176.9-93.871.6000112.2G122 L128 A129 A130G122-L126 WeakPolarHBondContact O-CD1 3.48Å; G122-L126 PolarHBondContact O-N 3.06Å; L126-L128 VanDerWaalsContact C-N 3.34Å; L126-L128 PolarHBondContact O-N 3.13Å; L126-A129 PolarHBondContact O-N 3.39Å; L126-A130 VanDerWaalsContact O-CB 3.27Å; L126-A130 WeakPolarHBondContact O-CB 3.34Å; L126-A130 PolarHBondContact O-N 3Å
127N92.1Very high89Confident106 Ų10691 Ų9157%0.56753%0.529SS*.Hα-helixtrans-66.6-34.8177.8-78.8-23.8000112.7K123 N131K123-N127 WeakPolarHBondContact O-CB 3.46Å; K123-N127 PolarHBondContact O-N 3.32Å; K123-N127 PolarHBondContact O-ND2 3.38Å; N127-N131 WeakPolarHBondContact O-CB 3.38Å; N127-N131 PolarHBondContact O-N 3.06Å; N127-N131 PolarHBondContact O-ND2 3.34Å
128L90.4Very high88.9Confident128 Ų12890.4 Ų90.467%0.6753%0.531SS*.Hα-helixtrans-67.5-44.3174.3-175.661.9000111.1R124 G125 L126 A132R124-L128 WeakPolarHBondContact O-CB 3.37Å; R124-L128 PolarHBondContact O-N 3.19Å; G125-L128 PolarHBondContact O-N 3.33Å; L126-L128 VanDerWaalsContact C-N 3.34Å; L126-L128 PolarHBondContact O-N 3.13Å; L128-A132 VanDerWaalsContact O-CB 3.29Å; L128-A132 WeakPolarHBondContact O-CB 3.32Å; L128-A132 PolarHBondContact O-N 2.9Å
129A91.6Very high88.9Confident61 Ų6190.7 Ų90.750%0.50453%0.529SS..Hα-helixtrans-63.6-43.1175.800000112.2G125 L126 A132 A133G125-A129 WeakPolarHBondContact O-CB 3.48Å; G125-A129 PolarHBondContact O-N 3.41Å; L126-A129 PolarHBondContact O-N 3.39Å; A129-A132 PolarHBondContact O-N 3.15Å; A129-A133 VanDerWaalsContact O-CB 3.29Å; A129-A133 WeakPolarHBondContact O-CB 3.45Å; A129-A133 PolarHBondContact O-N 3.09Å
130A89.4Confident88.5Confident47 Ų4788 Ų8839%0.38852%0.523SS..Hα-helixtrans-62.6-47.5176.900000111.8L126 A132 A133 V134L126-A130 VanDerWaalsContact O-CB 3.27Å; L126-A130 WeakPolarHBondContact O-CB 3.34Å; L126-A130 PolarHBondContact O-N 3Å; A130-A132 VanDerWaalsContact C-N 3.34Å; A130-A132 PolarHBondContact O-N 2.9Å; A130-A133 PolarHBondContact O-N 3.2Å; A130-V134 WeakPolarHBondContact O-CB 3.26Å; A130-V134 WeakPolarHBondContact O-CG2 3.5Å; A130-V134 PolarHBondContact O-N 3.33Å
131N91.4Very high87.6Confident107 Ų10788 Ų8857%0.57253%0.529SS*.Hα-helixtrans-64.2-38.2176.5-75.6-37.6000112.3N127 T135N127-N131 WeakPolarHBondContact O-CB 3.38Å; N127-N131 PolarHBondContact O-N 3.06Å; N127-N131 PolarHBondContact O-ND2 3.34Å; N131-T135 VanDerWaalsContact O-CB 3.26Å; N131-T135 WeakPolarHBondContact O-CB 3.42Å; N131-T135 PolarHBondContact O-N 3.29Å; N131-T135 PolarHBondContact O-OG1 2.9Å
132A89.4Confident86.6Confident58 Ų5885 Ų8548%0.47952%0.517SS..Hα-helixtrans-65.2-43.7174.300000111.8L128 A129 A130 T135 A136L128-A132 VanDerWaalsContact O-CB 3.29Å; L128-A132 WeakPolarHBondContact O-CB 3.32Å; L128-A132 PolarHBondContact O-N 2.9Å; A129-A132 PolarHBondContact O-N 3.15Å; A130-A132 VanDerWaalsContact C-N 3.34Å; A130-A132 PolarHBondContact O-N 2.9Å; A132-T135 PolarHBondContact O-N 3.41Å; A132-A136 VanDerWaalsContact O-CB 3.31Å; A132-A136 WeakPolarHBondContact O-CB 3.19Å; A132-A136 PolarHBondContact O-N 2.96Å
133A91.4Very high85.2Confident59 Ų5987.7 Ų87.749%0.48853%0.527SS..Hα-helixtrans-64.5-45.4177.500000112.2A129 A130 T135 A136 A137A129-A133 VanDerWaalsContact O-CB 3.29Å; A129-A133 WeakPolarHBondContact O-CB 3.45Å; A129-A133 PolarHBondContact O-N 3.09Å; A130-A133 PolarHBondContact O-N 3.2Å; A133-T135 VanDerWaalsContact C-N 3.33Å; A133-T135 PolarHBondContact O-N 3.25Å; A133-A136 PolarHBondContact O-N 3.42Å; A133-A137 WeakPolarHBondContact O-CB 3.41Å; A133-A137 PolarHBondContact O-N 3.26Å
134V89.8Confident84Confident98 Ų9885.7 Ų85.759%0.59452%0.522SS*.Hα-helixtrans-62.2-41.7174.6171.60000110.8A130 A137 A138A130-V134 WeakPolarHBondContact O-CB 3.26Å; A130-V134 WeakPolarHBondContact O-CG2 3.5Å; A130-V134 PolarHBondContact O-N 3.33Å; V134-A137 PolarHBondContact O-N 2.89Å; V134-A138 VanDerWaalsContact O-CB 3.28Å; V134-A138 WeakPolarHBondContact O-CB 3.23Å; V134-A138 PolarHBondContact O-N 3.45Å
135T86.4Confident82.9Confident68 Ų6880.7 Ų80.742%0.41751%0.514SS..Hα-helixtrans-65.3-40.3176.3-58.60000111.9N131 A132 A133 K139N131-T135 VanDerWaalsContact O-CB 3.26Å; N131-T135 WeakPolarHBondContact O-CB 3.42Å; N131-T135 PolarHBondContact O-N 3.29Å; N131-T135 PolarHBondContact O-OG1 2.9Å; A132-T135 PolarHBondContact O-N 3.41Å; A133-T135 VanDerWaalsContact C-N 3.33Å; A133-T135 PolarHBondContact O-N 3.25Å; T135-K139 HydrophobicContact CG2-CD 4.05Å; T135-K139 WeakPolarHBondContact O-CB 3.02Å; T135-K139 VanDerWaalsContact O-CG 3.28Å; T135-K139 WeakPolarHBondContact O-CG 3.34Å; T135-K139 PolarHBondContact O-N 2.87Å
136A85.9Confident81.6Confident63 Ų6385.3 Ų85.352%0.52153%0.525SS..Hα-helixtrans-67.9-41176.700000111.8A132 A133 G140A132-A136 VanDerWaalsContact O-CB 3.31Å; A132-A136 WeakPolarHBondContact O-CB 3.19Å; A132-A136 PolarHBondContact O-N 2.96Å; A133-A136 PolarHBondContact O-N 3.42Å; A136-G140 WeakPolarHBondContact O-CA 3.19Å; A136-G140 PolarHBondContact O-N 3.28Å
137A85.9Confident80.2Confident62 Ų6285.7 Ų85.751%0.51252%0.522SS..Hα-helixtrans-65-46.7175.500000111.8A133 V134 G140 Q141A133-A137 WeakPolarHBondContact O-CB 3.41Å; A133-A137 PolarHBondContact O-N 3.26Å; V134-A137 PolarHBondContact O-N 2.89Å; A137-G140 PolarHBondContact O-N 3.36Å; A137-Q141 WeakPolarHBondContact O-CG 3.19Å; A137-Q141 PolarHBondContact O-N 2.91Å
138A82Confident78.9Confident67 Ų6786.7 Ų86.755%0.55453%0.526SS*.Hα-helixtrans-62.1-45177.500000112V134 G142V134-A138 VanDerWaalsContact O-CB 3.28Å; V134-A138 WeakPolarHBondContact O-CB 3.23Å; V134-A138 PolarHBondContact O-N 3.45Å; A138-G142 PolarHBondContact O-N 2.8Å
139K83.6Confident77.6Confident147 Ų14789.2 Ų89.264%0.63953%0.527SS*.Hα-helixtrans-65.7-40.6174.5-72.1178.7-180-176.90111.8T135 G142 V143T135-K139 HydrophobicContact CG2-CD 4.05Å; T135-K139 WeakPolarHBondContact O-CB 3.02Å; T135-K139 VanDerWaalsContact O-CG 3.28Å; T135-K139 WeakPolarHBondContact O-CG 3.34Å; T135-K139 PolarHBondContact O-N 2.87Å; K139-G142 WeakPolarHBondContact O-CA 3.18Å; K139-G142 PolarHBondContact O-N 2.9Å; K139-G142 VanDerWaalsContact O-N 3.08Å; K139-V143 WeakPolarHBondContact O-CG2 3.37Å; K139-V143 PolarHBondContact O-N 3.47Å
140G76.6Confident76.2Confident30 Ų3088.3 Ų88.331%0.30952%0.517SS..Hα-helixtrans-61.2-42.317800000113.5A136 A137 G142 V143 L144A136-G140 WeakPolarHBondContact O-CA 3.19Å; A136-G140 PolarHBondContact O-N 3.28Å; A137-G140 PolarHBondContact O-N 3.36Å; G140-G142 VanDerWaalsContact C-N 3.3Å; G140-G142 PolarHBondContact O-N 2.88Å; G140-V143 PolarHBondContact O-N 3.42Å; G140-L144 WeakPolarHBondContact O-CG 3.01Å; G140-L144 PolarHBondContact O-N 2.91Å; G140-L144 VanDerWaalsContact O-N 3.13Å
141Q67.4Low74.8Confident134 Ų13492.7 Ų92.763%0.62653%0.527SS*.Hα-helixtrans-61.6-39.1170.8-72.9-69.3-77.200111.7A137 L144 S145A137-Q141 WeakPolarHBondContact O-CG 3.19Å; A137-Q141 PolarHBondContact O-N 2.91Å; Q141-L144 PolarHBondContact O-N 2.89Å; Q141-S145 WeakPolarHBondContact O-CB 3.4Å; Q141-S145 PolarHBondContact O-N 2.77Å; Q141-S145 PolarHBondContact O-OG 3.35Å
142G68.8Low73.4Confident31 Ų3191.7 Ų91.732%0.3253%0.529SS..Hα-helixtrans-54.1-57.1171.900000112.8A138 K139 G140 L144 S145 E146A138-G142 PolarHBondContact O-N 2.8Å; K139-G142 WeakPolarHBondContact O-CA 3.18Å; K139-G142 PolarHBondContact O-N 2.9Å; K139-G142 VanDerWaalsContact O-N 3.08Å; G140-G142 VanDerWaalsContact C-N 3.3Å; G140-G142 PolarHBondContact O-N 2.88Å; G142-L144 VanDerWaalsContact C-N 3.29Å; G142-L144 PolarHBondContact O-N 2.88Å; G142-S145 PolarHBondContact O-N 3.45Å; G142-S145 VanDerWaalsContact O-N 3.14Å; G142-S145 PolarHBondContact O-OG 2.59Å; G142-E146 WeakPolarHBondContact O-CB 3.43Å; G142-E146 PolarHBondContact O-N 2.84Å
143V63.5Low71.8Confident90 Ų9095.1 Ų95.155%0.54554%0.536SS..Hα-helixtrans-64.6-32.3-177.1-140.80000112.9K139 G140 E146 K147K139-V143 WeakPolarHBondContact O-CG2 3.37Å; K139-V143 PolarHBondContact O-N 3.47Å; G140-V143 PolarHBondContact O-N 3.42Å; V143-E146 PolarHBondContact O-N 3.33Å; V143-K147 PolarHBondContact O-N 2.93Å
144L63.7Low70.2Confident100 Ų10097.8 Ų97.852%0.52454%0.539SS..Hα-helixtrans-67.8-44174-75.3166.1000111.5G140 Q141 G142 E146 K147 L148G140-L144 WeakPolarHBondContact O-CG 3.01Å; G140-L144 PolarHBondContact O-N 2.91Å; G140-L144 VanDerWaalsContact O-N 3.13Å; Q141-L144 PolarHBondContact O-N 2.89Å; G142-L144 VanDerWaalsContact C-N 3.29Å; G142-L144 PolarHBondContact O-N 2.88Å; L144-E146 VanDerWaalsContact C-N 3.28Å; L144-E146 PolarHBondContact O-N 3.45Å; L144-K147 PolarHBondContact O-N 2.69Å; L144-L148 WeakPolarHBondContact O-CB 3.35Å; L144-L148 WeakPolarHBondContact O-CG 3.41Å; L144-L148 PolarHBondContact O-N 3.33Å
145S67.8Low68.5Low71 Ų7198 Ų9850%0.49754%0.537SS..Hα-helixtrans-63.6-35.217575.60000112.2Q141 G142 R149Q141-S145 WeakPolarHBondContact O-CB 3.4Å; Q141-S145 PolarHBondContact O-N 2.77Å; Q141-S145 PolarHBondContact O-OG 3.35Å; G142-S145 PolarHBondContact O-N 3.45Å; G142-S145 VanDerWaalsContact O-N 3.14Å; G142-S145 PolarHBondContact O-OG 2.59Å; S145-R149 WeakPolarHBondContact O-CB 3.49Å; S145-R149 PolarHBondContact O-N 3.5Å
146E61.7Low66.9Low136 Ų136101.4 Ų101.464%0.63655%0.552SS**Hα-helixtrans-71.2-41178.8-163.5164.1-138.900111.8G142 V143 L144 R149 S150G142-E146 WeakPolarHBondContact O-CB 3.43Å; G142-E146 PolarHBondContact O-N 2.84Å; V143-E146 PolarHBondContact O-N 3.33Å; L144-E146 VanDerWaalsContact C-N 3.28Å; L144-E146 PolarHBondContact O-N 3.45Å; E146-R149 PolarHBondContact O-N 3.42Å; E146-S150 PolarHBondContact O-N 3.44Å
147K65.8Low65.4Low137 Ų137102.8 Ų102.860%0.59655%0.554SS**Hα-helixtrans-65.1-44.3170.1-95.6-158.9171.4-166.80113.1V143 L144 R149 S150 F151V143-K147 PolarHBondContact O-N 2.93Å; L144-K147 PolarHBondContact O-N 2.69Å; K147-R149 VanDerWaalsContact C-N 3.3Å; K147-R149 PolarHBondContact O-N 3.47Å; K147-S150 PolarHBondContact O-N 3.25Å; K147-S150 PolarHBondContact O-OG 2.91Å; K147-F151 WeakPolarHBondContact O-CD2 3.26Å; K147-F151 PolarHBondContact O-N 3.37Å
148L63.5Low63.8Low126 Ų126105.8 Ų105.866%0.6656%0.561SS**Hα-helixtrans-62.8-40.4177.6-75.2165.9000111.1L144 S152L144-L148 WeakPolarHBondContact O-CB 3.35Å; L144-L148 WeakPolarHBondContact O-CG 3.41Å; L144-L148 PolarHBondContact O-N 3.33Å; L148-S152 VanDerWaalsContact O-CB 3.31Å; L148-S152 WeakPolarHBondContact O-CB 3.46Å; L148-S152 PolarHBondContact O-N 3.15Å
149R64.8Low62.4Low182 Ų182109.1 Ų109.169%0.68757%0.568SS**Hα-helixtrans-68.2-34175.3-174.5177127.5782.8112.9S145 E146 K147 M153S145-R149 WeakPolarHBondContact O-CB 3.49Å; S145-R149 PolarHBondContact O-N 3.5Å; E146-R149 PolarHBondContact O-N 3.42Å; K147-R149 VanDerWaalsContact C-N 3.3Å; K147-R149 PolarHBondContact O-N 3.47Å; R149-M153 PolarHBondContact O-N 3.05Å
150S61.1Low60.9Low42 Ų42112.1 Ų112.129%0.29458%0.575SS.*Hα-helixtrans-66.9-52.1174.274.30000110.9E146 K147 S152 M153 Q154E146-S150 PolarHBondContact O-N 3.44Å; K147-S150 PolarHBondContact O-N 3.25Å; K147-S150 PolarHBondContact O-OG 2.91Å; S150-S152 VanDerWaalsContact C-N 3.31Å; S150-S152 PolarHBondContact O-N 2.99Å; S150-M153 PolarHBondContact O-N 3.13Å; S150-M153 VanDerWaalsContact O-N 3.14Å; S150-Q154 WeakPolarHBondContact O-CG 3.38Å; S150-Q154 PolarHBondContact O-N 3.19Å; S150-Q154 PolarHBondContact O-OE1 3.21Å; S150-Q154 VanDerWaalsContact O-OE1 3.07Å
151F60.4Low59.6Low138 Ų138117.2 Ų117.261%0.60560%0.595SS**Hα-helixtrans-56.7-42.9177.2-86.6-74.1000112.1K147 M153 Q154 D155K147-F151 WeakPolarHBondContact O-CD2 3.26Å; K147-F151 PolarHBondContact O-N 3.37Å; F151-M153 VanDerWaalsContact C-N 3.28Å; F151-M153 PolarHBondContact O-N 3.26Å; F151-Q154 PolarHBondContact O-N 3.41Å; F151-D155 PolarHBondContact O-N 3.34Å
152S62.4Low58.9Low86 Ų86119.2 Ų119.260%0.60160%0.604SS**Hα-helixtrans-67-20.4-179.9-177.60000115.2L148 S150L148-S152 VanDerWaalsContact O-CB 3.31Å; L148-S152 WeakPolarHBondContact O-CB 3.46Å; L148-S152 PolarHBondContact O-N 3.15Å; S150-S152 VanDerWaalsContact C-N 3.31Å; S150-S152 PolarHBondContact O-N 2.99Å
153M55.4Low57.9Low130 Ų130125.4 Ų125.464%0.6463%0.63SS**Hα-helixtrans-98.7-15.5179.9-96.2-78.3168.800113.5R149 S150 F151R149-M153 PolarHBondContact O-N 3.05Å; S150-M153 PolarHBondContact O-N 3.13Å; S150-M153 VanDerWaalsContact O-N 3.14Å; F151-M153 VanDerWaalsContact C-N 3.28Å; F151-M153 PolarHBondContact O-N 3.26Å
154Q58.8Low56.8Low115 Ų115125.5 Ų125.554%0.53764%0.64SS.*Hα-helixtrans-87.9-27-179.6-72.8146.46.400112.3S150 F151 T157S150-Q154 WeakPolarHBondContact O-CG 3.38Å; S150-Q154 PolarHBondContact O-N 3.19Å; S150-Q154 PolarHBondContact O-OE1 3.21Å; S150-Q154 VanDerWaalsContact O-OE1 3.07Å; F151-Q154 PolarHBondContact O-N 3.41Å; Q154-T157 PolarHBondContact O-OG1 2.85Å
155D53.5Low56.1Low104 Ų104128.8 Ų128.856%0.55666%0.658SS**SBendtrans-82.3-28.7-179.4-152.624.7000112.8F151 T157 L158F151-D155 PolarHBondContact O-N 3.34Å; D155-T157 PolarHBondContact O-N 3.2Å; D155-L158 PolarHBondContact O-N 3.09Å; D155-L158 VanDerWaalsContact O-N 3.17Å
156L51.6Low55Low139 Ų139131 Ų13173%0.72867%0.67SS**THydrogen-bonded Turntrans-72.7-8.4-178.6-139.582.5000114.4
157T54.8Low54.4Low91 Ų91132.1 Ų132.156%0.55868%0.68SS**THydrogen-bonded Turntrans-91.7-22.9171.738.30000113.4Q154 D155Q154-T157 PolarHBondContact O-OG1 2.85Å; D155-T157 PolarHBondContact O-N 3.2Å
158L52.3Low52.8Low126 Ų126133.9 Ų133.966%0.6669%0.69SS**THydrogen-bonded Turntrans-78.7-24.4-176.6-105.4168.4000113.8D155D155-L158 PolarHBondContact O-N 3.09Å; D155-L158 VanDerWaalsContact O-N 3.17Å
159I53.3Low51.6Low137 Ų137130.3 Ų130.370%0.70368%0.684SS**SBendtrans-89.7-7.1-178.6-56.9174.4000112
160R51.4Low51Low209 Ų209127.2 Ų127.279%0.78969%0.687SS**SBendtrans-86.6-23.6178.6-176.967.882.9140.99113.4
161D50.5Low50Low138 Ų138132.9 Ų132.974%0.73871%0.714SS**SBendtrans-102.75.3-169.6-87.1-71.5000114.9D163D161-D163 VanDerWaalsContact C-N 3.35Å
162E51.2Low49Very low175 Ų175129.9 Ų129.982%0.81872%0.722SS**SBendtrans-85.74.2177.4-78.6-111.8100.400114.5
163D48.3Very low48Very low162 Ų162136.4 Ų136.487%0.86673%0.733SS**SBendtrans-103.738.2-179.2-81.1-43.8000113.8D161D161-D163 VanDerWaalsContact C-N 3.35Å
164A40.8Very low47.5Very low91 Ų91137.1 Ų137.175%0.75274%0.739SS**  trans-148.590177.200000115.9
165L47.8Very low46.9Very low170 Ų170141.6 Ų141.689%0.8975%0.751SS**  trans-72.3154.5165.9-67.2178.4000111.3
166P45.8Very low46.6Very low117 Ų117141.1 Ų141.176%0.7675%0.754SS**  -154.2159.661.640.1-17.7000121.2
167L48.2Very low46.1Very low159 Ų159137.6 Ų137.683%0.83275%0.751SS**  trans4.1142.8152.3-58.5170.8000122.9
168Q34Very low45.8Very low175 Ų175139.9 Ų139.982%0.81877%0.767SS**  147.7128117-169.460.448.100114.9
169G37.4Very low45Very low51 Ų51137.4 Ų137.453%0.52677%0.773SS.*  trans-107.4-165.2167.600000112.9
170P52.1Low43.9Very low117 Ų117136.5 Ų136.576%0.7678%0.779SS**  cis-150.2-179.72244.1-23000119.6
171D39.8Very low43.4Very low161 Ų161133.7 Ų133.786%0.86178%0.779SS**  trans68.7137.9140.7-90.9-49.8000128.6
172G39.7Very low42.9Very low75 Ų75133.6 Ų133.677%0.77378%0.777SS**  trans114.4124140.500000120.4
173R42Very low42Very low222 Ų222132.3 Ų132.384%0.83878%0.776SS**  cis-179.4151.9-39.3-177.3-179.2-171.8-167.18.2108
174L44.8Very low41.5Very low145 Ų145129.7 Ų129.776%0.75977%0.766SS**  trans132.6140.9143.5-68.7166.6000114.4
175R45.8Very low41.8Very low209 Ų209133.1 Ų133.179%0.78977%0.77SS**  cis-147.6-86.9-16.9-173.6-178.180.388.7-4.4116.4
176P47.9Very low41.4Very low94 Ų94133.3 Ų133.361%0.6177%0.766SS**  trans-109.7-177.4-166.646.6-38.6000113.5
177G40.4Very low40.7Very low66 Ų66134.2 Ų134.268%0.6877%0.765SS**  cis100.3165.3-1.600000115.2
178P48.8Very low40.4Very low138 Ų138134 Ų13490%0.89676%0.764SS**  cis-133.8177.30.643.1-27.2000115.9
179G34.7Very low40.4Very low75 Ų75128.5 Ų128.577%0.77375%0.754SS**  trans176.198.5167.400000116.2
180S31.2Very low40.2Very low118 Ų118134 Ų13483%0.82577%0.771SS**  trans7.6129.9158.9-115.40000120.1
181L39.8Very low39.6Very low150 Ų150135.7 Ų135.779%0.78577%0.774SS**  cis49.213944.5-68.4-161.2000114.9
182L40.9Very low40Very low136 Ų136133.4 Ų133.471%0.71277%0.768SS**  cis-174.2133.2-13.2-166.8178.7000104.3
183D32.8Very low39.5Very low147 Ų147133.5 Ų133.579%0.78676%0.761SS**  trans170.8157.6161.7-100.7-10.8000109.7
184T36.3Very low39.3Very low107 Ų107131.4 Ų131.466%0.65677%0.766SS**  cis-155.9163.9-22.2-116.50000108.3
185I47.3Very low38.7Very low163 Ų163128 Ų12884%0.83677%0.766SS**  trans-84.9126.7179.3-62.6162.2000110.3
186E39Very low38Very low175 Ų175125.5 Ų125.582%0.81877%0.767SS**  trans174.4155.8163-102.4167.6165.700107.7
187D32.8Very low37.2Very low136 Ų136132 Ų13273%0.72778%0.779SS**  cis-157.5179.7-13.7-168.420.4000109.4
188L40.2Very low36.7Very low154 Ų154133.6 Ų133.681%0.80678%0.78SS**  trans-52.1162.6171.6-85.765.4000115.8
189G34.2Very low35.9Very low59 Ų59132.3 Ų132.361%0.60877%0.774SS**  116.7119.5124.100000119
190D34.8Very low35.9Very low168 Ų168134.6 Ų134.690%0.89877%0.774SS**  trans66.2118.1139.7-58.7-65.2000122.6
191D38.2Very low35.9Very low151 Ų151135.8 Ų135.881%0.80777%0.771SS**  trans-48.5164.5151-103.1-62000112.6
192P47.7Very low35.6Very low114 Ų114135.4 Ų135.474%0.7477%0.774SS**  cis-152.2171.438.242.6-21.5000119.9
193A29.7Very low35.2Very low77 Ų77133 Ų13364%0.63678%0.775SS**  trans64.5125.9139.900000122.4
194L38.2Very low35.2Very low178 Ų178133 Ų13393%0.93277%0.774SS**  166.9148.7100.1-85.1179.9000113.2
195G31.2Very low35Very low73 Ų73133.2 Ų133.275%0.75378%0.78SS**  trans92.478162.600000116.6
196L32.1Very low34.2Very low157 Ų157135.8 Ų135.882%0.82278%0.779SS**  87.1124.554.8-158.491.8000114.9
197R31.6Very low34Very low229 Ų229133.9 Ų133.986%0.86478%0.78SS**  trans82.8142.9169.6-50.2-171148.9178.2-8.9115.9
198S29.4Very low34Very low101 Ų101135.6 Ų135.671%0.70678%0.784SS**  cis-154.4139.411-175.30000112.4
199S32.3Very low33.6Very low110 Ų110133.5 Ų133.577%0.76979%0.788SS**  161.190.4129.1-71.10000114.6
200T34.1Very low33.8Very low123 Ų123136.2 Ų136.276%0.75580%0.798SS**  trans14.8118.8140-31.50000122.5
201N31.8Very low34Very low144 Ų144136.6 Ų136.677%0.7779%0.794SS**  trans4.2138.5139.3-53.8-37000121.7
202V33.3Very low33.8Very low141 Ų141136.9 Ų136.986%0.85580%0.796SS**  -158.4105.5117-1780000106.2
203A32.8Very low33Very low87 Ų87137.7 Ų137.772%0.71979%0.794SS**  77.7102.974.100000116.7
204D33.3Very low33.3Very low145 Ų145141.7 Ų141.778%0.77580%0.801SS**  trans69.8127136.2-129.6-32000122.9R206D204-R206 PolarHBondContact OD1-N 3.08Å
205S31.2Very low33Very low112 Ų112136.9 Ų136.978%0.78380%0.795SS**  trans-160.167.4159.7-75.50000111.6T207S205-T207 PolarHBondContact O-N 3.19Å; S205-T207 PolarHBondContact O-OG1 2.85Å
206R29.6Very low33.1Very low218 Ų218140 Ų14082%0.82379%0.794SS**  trans-21116.1154.6-178.8-178.3-171.8157.54.1114.3D204D204-R206 PolarHBondContact OD1-N 3.08Å
207T34.6Very low33.1Very low135 Ų135141.8 Ų141.883%0.82880%0.795SS**  trans-120.7110.3173.4-580000109.7S205S205-T207 PolarHBondContact O-N 3.19Å; S205-T207 PolarHBondContact O-OG1 2.85Å
208E33.3Very low33.1Very low172 Ų172135 Ų13580%0.80479%0.788SS**  trans-145.1155.7166.8-79.1-164.212700110.8
209A32Very low33.9Very low109 Ų109135.7 Ų135.790%0.90179%0.79SS**  trans99.289.3172.200000116.5
210S39.4Very low33.9Very low116 Ų116140.9 Ų140.981%0.81180%0.799SS**  trans-130.1118.9152.7-179.50000106.8
211E37.5Very low33.7Very low177 Ų177146.2 Ų146.283%0.82781%0.805SS**  trans-178.2113.6165.6-105.5161.2-169.200108.2
212D34.5Very low33.6Very low157 Ų157143.7 Ų143.784%0.8480%0.804SS**  44.8149.3112.8-57.9-13.2000119.8
213D31.3Very low33.7Very low130 Ų130146.1 Ų146.170%0.69580%0.803SS**  cis-167.3167.4-8.8172.341.4000108.9
214M35.9Very low34Very low161 Ų161147.6 Ų147.679%0.79381%0.805SS**  trans37.8128.1160.2-138.569.967.700122.2
215G31.8Very low34.3Very low77 Ų77148.1 Ų148.179%0.79481%0.807SS**  trans-169.360.4171.600000115.7K217G215-K217 PolarHBondContact O-N 2.97Å
216D34Very low34.3Very low139 Ų139152.7 Ų152.774%0.74381%0.812SS**  trans-55.4129.3176.2171.150.5000113.6
217K31.2Very low34.2Very low195 Ų195152.2 Ų152.285%0.84882%0.816SS**  trans-176.3118.8136.8-105.5158-172.3163.40114.8G215G215-K217 PolarHBondContact O-N 2.97Å
218A32.8Very low34.3Very low86 Ų86150.2 Ų150.271%0.71181%0.814SS**  trans-133.5173.6147.400000108.3
219P45.4Very low34.3Very low116 Ų116147.9 Ų147.975%0.75381%0.813SS**  cis-124.7173.1-1738.7-25000112.3
220K31.9Very low34Very low219 Ų219151.7 Ų151.795%0.95281%0.81SS**  trans-135.1139.1156.1-76.2-165.2176.8-179.50112.5
221R30Very low33.5Very low235 Ų235151.2 Ų151.289%0.88781%0.812SS**  trans-128.9117.7-161.6171.6-173.1177.8-169.91.6111.9
222A30.6Very low33.3Very low90 Ų90150.7 Ų150.774%0.74481%0.81SS**  trans61.1168.4157.900000117
223K34.3Very low33.7Very low193 Ų193147.8 Ų147.884%0.83980%0.8SS**  cis-138.5-142.113.4-66.7177.9178.6177.40110.8
224P38.3Very low33.6Very low117 Ų117149.8 Ų149.876%0.7681%0.809SS**  -130.6-175.3-97.542.5-24.4000116.9
225I40.1Very low33.5Very low157 Ų157146.3 Ų146.381%0.80581%0.807SS**  trans-36.1138.8170-61154.9000116.4
226K30.9Very low33.6Very low208 Ų208148.2 Ų148.290%0.90481%0.807SS**  trans-141.3158.3149.5-84-165.3177.6178.50113
227K28Very low33.6Very low208 Ų208151.1 Ų151.190%0.90481%0.814SS**  trans-85.5165.2-167.9-69.8174.5172.7176.60114.8
228A36.2Very low33.8Very low93 Ų93148.2 Ų148.277%0.76981%0.812SS**  trans-73.1168.2170.900000114.7
229P34.2Very low33.8Very low123 Ų123151.8 Ų151.880%0.79982%0.818SS**  -130.1136.1115.235.7-26.5000111.5
230K26.1Very low33.2Very low189 Ų189155.7 Ų155.782%0.82282%0.824SS**  76102.173.4-162.9-175.7-175.8-175.10114.7
231A29Very low33.3Very low105 Ų105151.3 Ų151.387%0.86882%0.815SS**  trans-144.9135.7151.600000109.4
232E31.8Very low33.5Very low166 Ų166151.4 Ų151.478%0.77682%0.816SS**  trans-139.6176.1177.1-122.3-160102.700105.3
233P44.1Very low34Very low97 Ų97153.2 Ų153.263%0.6382%0.82SS**  cis-135.5-178.44.239.4-21.3000114.7
234L29Very low34Very low171 Ų171154 Ų15490%0.89582%0.823SS**  -179.1164.2129.7-99.3162.6000112.7
235A34.3Very low33.8Very low89 Ų89158 Ų15874%0.73683%0.829SS**  trans80.854.3171.700000119.5
236S32.9Very low33.5Very low116 Ų116160.4 Ų160.481%0.81183%0.833SS**  trans-10.4118.9141.154.10000119.9
237K34.5Very low33.8Very low201 Ų201154 Ų15487%0.87482%0.82SS**  trans-146.6126.2136.7-63.3-170.3-178.7176.80106.8
238T34.9Very low34.1Very low133 Ų133150.1 Ų150.182%0.81682%0.819SS**  -174.3130.584.8-58.60000109.1
239L34.1Very low34Very low161 Ų161149.3 Ų149.384%0.84382%0.819SS**  trans-79.6128.8174-167.577.5000110.1
240K32.5Very low34Very low199 Ų199147.7 Ų147.787%0.86582%0.824SS**  trans-141.199.6176.9-170.3177.9-175.6177.90111.3
241T33.9Very low34.5Very low126 Ų126141.7 Ų141.777%0.77382%0.817SS**  trans-119.7110.5178.736.60000111.4
242R33.5Very low35Very low237 Ų237144.3 Ų144.389%0.89482%0.816SS**  trans-157.5107.5159.7-173.7179.3-176.7-1753.8109.7
243P41.9Very low35.7Very low129 Ų129141.2 Ų141.284%0.83881%0.813SS**  trans-81.4162.5172.932.2-31.9000111.9
244K33.4Very low35.7Very low209 Ų209145.3 Ų145.391%0.90986%0.855SS**  trans-124.9142.5-175.6-167-178.8-179-175.10110.6
245K35.5Very low36Very low202 Ų202144 Ų14488%0.87885%0.853SS**  trans-47.8141.5-178.5-79.7-178.5168-177.80116.4
246K33.3Very low36.1Very low206 Ų206146.9 Ų146.990%0.89686%0.859SS**  159.8153.9124.2-94-163170.6-172.50109
247A35.7Very low36.3Very low75 Ų75148.6 Ų148.662%0.6286%0.861SS**  cis-167.3162.5-14.900000109
248S35.4Very low36.4Very low126 Ų126145.5 Ų145.588%0.88186%0.861SS**  trans48.1140.1156.655.30000120.6
249G34Very low36.5Very low75 Ų75146.3 Ų146.377%0.77386%0.863SS**  cis152.8152.12.100000110.9
250G34.2Very low36.6Very low89 Ų89145.3 Ų145.392%0.91887%0.865SS**  trans74.1149.7-175.700000113.5
251G35.7Very low36.9Very low64 Ų64141.5 Ų141.566%0.6687%0.865SS**  cis166.6154.1-1.600000108.9
252D40.1Very low37.2Very low160 Ų160142.7 Ų142.786%0.85687%0.872SS**  trans62.5160173.5-68.2-54000118.1
253S46.1Very low37.5Very low100 Ų100134.8 Ų134.870%0.69987%0.87SS**  cis-172.5165.9-34-97.20000107.1
254A44.4Very low37.1Very low183 Ų183135.4 Ų135.4100%1.51287%0.873SS**  trans79.60-179.600000116.7

Retrieved 254 of 254 residues in 227.3 ms (Link to these results)

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