A0A3Q0KEA0_SCHMA Loading...

Putative flotillin-2

AlphaFold DB , UniProt , Accession A0A3Q0KEA0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 441 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
1M72Confident86.4Confident160 Ų16072.8 Ų72.879%0.78842%0.419SS*.  0120.80-74.6-177.2176.400107.9W37M1-W37 HydrophobicContact CB-CD2 4.03Å; M1-W37 HydrophobicContact CB-CE3 4.29Å; M1-W37 HydrophobicContact CB-CG 4.42Å; M1-W37 HydrophobicContact CB-CZ2 4.37Å; M1-W37 VanDerWaalsContact O-CD1 3.24Å; M1-W37 HydrophobicContact SD-CE3 4.38Å; M1-W37 HydrophobicContact SD-CH2 3.74Å; M1-W37 HydrophobicContact SD-CZ2 4.23Å; M1-W37 HydrophobicContact SD-CZ3 3.81Å
2G80.7Confident86.8Confident15 Ų1566.8 Ų66.816%0.15538%0.384CS..EExtended strand (participates in β ladder)trans-146.2160.4177.900000109.5W34 A35G2-W34 WeakPolarHBondContact O-CH2 3.49Å; G2-A35 CarbonylContact C-O 3.25Å; G2-A35 WeakPolarHBondContact CA-O 3.16Å
3N86.9Confident87.1Confident104 Ų10461.6 Ų61.656%0.55636%0.355SS*.EExtended strand (participates in β ladder)trans-111.5142.2-179.3-70-12.3000109.8A35N3-A35 PolarHBondContact N-O 3.31Å; N3-A35 PolarHBondContact O-N 2.82Å
4I87.9Confident87.2Confident99 Ų9957.4 Ų57.451%0.50833%0.33SS..EExtended strand (participates in β ladder)trans-84.1123169.2-65.7169.1000107.5T6 W32 W34I4-T6 HydrophobicContact CG2-CG2 4.24Å; I4-W32 HydrophobicContact CG1-CE3 4.32Å; I4-W32 HydrophobicContact CG1-CZ3 4.33Å; I4-W32 HydrophobicContact CG2-CB 4.14Å; I4-W32 HydrophobicContact CG2-CD2 4.39Å; I4-W32 HydrophobicContact CG2-CE3 3.82Å; I4-W34 HydrophobicContact CD1-CE3 4.28Å; I4-W34 HydrophobicContact CD1-CZ3 4.16Å; I4-W34 HydrophobicContact CG1-CE3 3.57Å; I4-W34 HydrophobicContact CG1-CZ3 3.77Å
5H89Confident87.3Confident61 Ų6154.4 Ų54.428%0.28231%0.313SS..EExtended strand (participates in β ladder)trans-108.1126.3172.5-68.3-86.2000109.4L13 W32 G33 V42H5-L13 HydrophobicContact CB-CD1 4.11Å; H5-L13 HydrophobicContact CB-CD2 3.9Å; H5-W32 CarbonylContact O-C 3.34Å; H5-W32 VanDerWaalsContact O-CA 3.24Å; H5-W32 WeakPolarHBondContact O-CA 3.27Å; H5-G33 PolarHBondContact N-O 3.33Å; H5-G33 PolarHBondContact O-N 3.31Å; H5-V42 HydrophobicContact CB-CG1 4.23Å
6T89.6Confident87.1Confident92 Ų9253.3 Ų53.356%0.56431%0.309SS*.EExtended strand (participates in β ladder)trans-104.8145.6177.1580000110.6I4 G31 W32 K44I4-T6 HydrophobicContact CG2-CG2 4.24Å; T6-G31 CarbonylContact C-O 3.58Å; T6-G31 WeakPolarHBondContact CA-O 3.24Å; T6-W32 HydrophobicContact CG2-CB 3.97Å; T6-K44 PolarHBondContact O-NZ 3.16Å
7V89.2Confident86.6Confident13 Ų1353.1 Ų53.18%0.07932%0.321CS..EExtended strand (participates in β ladder)trans-133.7143.4176.9-78.30000110.7E11 L13 G31 K44V7-E11 HydrophobicContact CB-CB 3.95Å; V7-E11 HydrophobicContact CG1-CB 4.14Å; V7-L13 HydrophobicContact CB-CB 4.44Å; V7-L13 HydrophobicContact CG1-CB 3.76Å; V7-L13 HydrophobicContact CG1-CD1 3.84Å; V7-L13 HydrophobicContact CG1-CG 4.35Å; V7-L13 HydrophobicContact CG2-CB 3.81Å; V7-G31 PolarHBondContact N-O 3.47Å; V7-G31 PolarHBondContact O-N 3Å; V7-K44 HydrophobicContact CG1-CD 4.03Å; V7-K44 HydrophobicContact CG1-CG 4.1Å
8G89.1Confident85.6Confident26 Ų2651.9 Ų51.927%0.26832%0.321SS..EExtended strand (participates in β ladder)trans-70.3167.9174.100000112.3S10 E11 G30G8-S10 PolarHBondContact O-N 3.32Å; G8-S10 VanDerWaalsContact O-N 3.09Å; G8-E11 PolarHBondContact O-N 3.32Å; G8-G30 WeakPolarHBondContact O-CA 3.43Å
9P87.4Confident83.8Confident104 Ų10455.1 Ų55.168%0.67535%0.345SS*.EExtended strand (participates in β ladder)trans-64.8-13178.527.3-35.4000114.2R79P9-R79 PolarHBondContact O-NH2 2.83Å
10S88.7Confident82.4Confident61 Ų6158.5 Ų58.543%0.42737%0.369SS..EExtended strand (participates in β ladder)trans-102.112.5175.658.20000113.1G8 L47G8-S10 PolarHBondContact O-N 3.32Å; G8-S10 VanDerWaalsContact O-N 3.09Å; S10-L47 WeakPolarHBondContact O-CA 3.44Å; S10-L47 WeakPolarHBondContact O-CB 3.47Å; S10-L47 PolarHBondContact O-N 2.73Å
11E90.3Very high81.1Confident66 Ų6659.6 Ų59.631%0.30839%0.391SS..EExtended strand (participates in β ladder)trans-129.4141.7178.7-67.2179.117500109.5V7 G8 G30 K44 I45V7-E11 HydrophobicContact CB-CB 3.95Å; V7-E11 HydrophobicContact CG1-CB 4.14Å; G8-E11 PolarHBondContact O-N 3.32Å; E11-G30 PolarHBondContact O-N 2.85Å; E11-G30 VanDerWaalsContact O-N 3.11Å; E11-K44 IonicContact OE2-NZ 2.69Å; E11-I45 WeakPolarHBondContact CA-O 3.41Å
12A90.4Very high80.4Confident0 Ų055 Ų550%038%0.378CS..EExtended strand (participates in β ladder)trans-104.7130.1166.500000109.5I28 I29 K44 I45 L47 L84A12-I28 CarbonylContact C-O 3.33Å; A12-I28 WeakPolarHBondContact CA-O 3.39Å; A12-I29 HydrophobicContact CB-CG1 4.42Å; A12-K44 WeakPolarHBondContact O-CA 3.25Å; A12-I45 HydrophobicContact CB-CG2 3.64Å; A12-I45 PolarHBondContact N-O 2.73Å; A12-I45 PolarHBondContact O-N 3.04Å; A12-L47 HydrophobicContact CB-CD1 3.96Å; A12-L47 HydrophobicContact CB-CD2 4.11Å; A12-L47 HydrophobicContact CB-CG 4.11Å; A12-L84 HydrophobicContact CB-CD1 4.41Å; A12-L84 HydrophobicContact CB-CD2 4.33Å
13L90.7Very high79.7Confident0 Ų059.3 Ų59.30%041%0.413CS..EExtended strand (participates in β ladder)trans-87.9126.4169.3-167.668.7000108.3H5 V7 I15 T27 I28 V42 K44H5-L13 HydrophobicContact CB-CD1 4.11Å; H5-L13 HydrophobicContact CB-CD2 3.9Å; V7-L13 HydrophobicContact CB-CB 4.44Å; V7-L13 HydrophobicContact CG1-CB 3.76Å; V7-L13 HydrophobicContact CG1-CD1 3.84Å; V7-L13 HydrophobicContact CG1-CG 4.35Å; V7-L13 HydrophobicContact CG2-CB 3.81Å; L13-I15 HydrophobicContact CD2-CD1 3.93Å; L13-I15 HydrophobicContact CD2-CG1 4.08Å; L13-I15 HydrophobicContact CG-CG1 4.12Å; L13-T27 CarbonylContact O-C 3.49Å; L13-T27 WeakPolarHBondContact O-CA 3.48Å; L13-I28 HydrophobicContact CB-CB 4.3Å; L13-I28 PolarHBondContact N-O 3.26Å; L13-I28 PolarHBondContact O-N 3.29Å; L13-V42 HydrophobicContact CD1-CG1 3.26Å; L13-V42 HydrophobicContact CD2-CG1 4.49Å; L13-V42 HydrophobicContact CG-CG1 4Å; L13-K44 HydrophobicContact CD1-CG 3.88Å
14V89.5Confident79Confident2 Ų262.1 Ų62.11%0.01242%0.42CS..EExtended strand (participates in β ladder)trans-111.1118.4173.6-170.60000108.1V25 T27 V42 Q43 C88 L92V14-V25 HydrophobicContact CG1-CG1 3.22Å; V14-T27 HydrophobicContact CG2-CG2 4.38Å; V14-V42 WeakPolarHBondContact O-CA 3.44Å; V14-Q43 PolarHBondContact N-O 2.89Å; V14-Q43 PolarHBondContact O-N 2.91Å; V14-C88 HydrophobicContact CG2-CB 4.5Å; V14-C88 VanDerWaalsContact CG2-SG 3.51Å; V14-L92 HydrophobicContact CB-CD1 4.22Å; V14-L92 HydrophobicContact CB-CD2 4.23Å; V14-L92 HydrophobicContact CG1-CD1 3.89Å; V14-L92 HydrophobicContact CG2-CD1 4.25Å; V14-L92 HydrophobicContact CG2-CD2 3.97Å
15I88.1Confident78.6Confident13 Ų1360 Ų607%0.06741%0.412CS..EExtended strand (participates in β ladder)trans-109.8113.9175.4-54.2176.8000107.1L13 R26 I28 T40 E41 V42L13-I15 HydrophobicContact CD2-CD1 3.93Å; L13-I15 HydrophobicContact CD2-CG1 4.08Å; L13-I15 HydrophobicContact CG-CG1 4.12Å; I15-R26 HydrophobicContact CB-CB 4.49Å; I15-R26 PolarHBondContact N-O 3.33Å; I15-R26 PolarHBondContact O-N 2.72Å; I15-I28 HydrophobicContact CD1-CD1 4.11Å; I15-T40 HydrophobicContact CG2-CG2 4.17Å; I15-E41 WeakPolarHBondContact CA-O 3.26Å; I15-V42 HydrophobicContact CG1-CG2 4.36Å
16S84.1Confident78.4Confident37 Ų3765.1 Ų65.126%0.25943%0.428SS..EExtended strand (participates in β ladder)trans-108.8148.9173.6580000110T40 E41S16-T40 CarbonylContact O-C 3.49Å; S16-T40 VanDerWaalsContact O-CA 3.23Å; S16-T40 WeakPolarHBondContact O-CA 3.39Å; S16-E41 PolarHBondContact N-O 3.01Å; S16-E41 PolarHBondContact O-N 3.4Å
17G78.3Confident78.3Confident49 Ų4962 Ų6251%0.50541%0.41SS..  trans86.7164.7-177.800000114.1V39G17-V39 CarbonylContact C-O 3.59Å; G17-V39 VanDerWaalsContact C-O 3.25Å; G17-V39 VanDerWaalsContact CA-O 3.31Å; G17-V39 WeakPolarHBondContact CA-O 3.39Å
18G69.3Low78.2Confident32 Ų3263.2 Ų63.233%0.3342%0.415SS..  trans161.3148.9-178.300000111.7V39G18-V39 VanDerWaalsContact C-CG1 3.46Å; G18-V39 PolarHBondContact N-O 2.85Å
19C51.6Low78.3Confident113 Ų11365.1 Ų65.176%0.76442%0.419SS*.SBendtrans-78.5136.4171-160.50000108.1V39C19-V39 HydrophobicContact CB-CG1 4.43Å
20C55.7Low78.1Confident123 Ų12360.8 Ų60.883%0.83139%0.393SS*.SBendtrans89.645.7-175.5-54.20000118.1A22C20-A22 VanDerWaalsContact C-N 3.26Å; C20-A22 PolarHBondContact O-N 3.46Å; C20-A22 VanDerWaalsContact O-N 3.09Å
21G54.3Low78.2Confident81 Ų8160 Ų6084%0.83540%0.395SS*.SBendtrans70.314156.100000116.4A23G21-A23 VanDerWaalsContact C-N 3.31Å; G21-A23 PolarHBondContact O-N 2.89Å
22A57.2Low78.1Confident63 Ų6364.6 Ų64.652%0.52141%0.409SS..  trans-7783.9172.900000109.7C20 K24C20-A22 VanDerWaalsContact C-N 3.26Å; C20-A22 PolarHBondContact O-N 3.46Å; C20-A22 VanDerWaalsContact O-N 3.09Å; A22-K24 PolarHBondContact O-N 3.37Å; A22-K24 VanDerWaalsContact O-N 3.14Å
23A65.8Low78Confident106 Ų10664.8 Ų64.888%0.87641%0.411SS*.  trans-63.9-8167.300000112.7G21G21-A23 VanDerWaalsContact C-N 3.31Å; G21-A23 PolarHBondContact O-N 2.89Å
24K72.5Confident77.8Confident163 Ų16370.6 Ų70.671%0.70943%0.433SS*.SBendtrans-82.8120.4-178.3-166.8171.6-176.9178.50110.6A22A22-K24 PolarHBondContact O-N 3.37Å; A22-K24 VanDerWaalsContact O-N 3.14Å
25V81Confident77.6Confident55 Ų5570.7 Ų70.733%0.33343%0.434SS..  trans-65.7132.1169.5179.30000108.8V14V14-V25 HydrophobicContact CG1-CG1 3.22Å
26R84.3Confident77.4Confident168 Ų16877.1 Ų77.163%0.63446%0.457SS*.EExtended strand (participates in β ladder)trans-98.2112.5176.2-176.4179.9-74.8-171.5-3.9109.3I15 I28I15-R26 HydrophobicContact CB-CB 4.49Å; I15-R26 PolarHBondContact N-O 3.33Å; I15-R26 PolarHBondContact O-N 2.72Å; R26-I28 HydrophobicContact CG-CD1 4.31Å; R26-I28 HydrophobicContact CG-CG1 4.04Å
27T87.2Confident77.1Confident28 Ų2883.4 Ų83.417%0.17248%0.476CS..EExtended strand (participates in β ladder)trans-95132.8171.649.90000109.7L13 V14 L84L13-T27 CarbonylContact O-C 3.49Å; L13-T27 WeakPolarHBondContact O-CA 3.48Å; V14-T27 HydrophobicContact CG2-CG2 4.38Å; T27-L84 HydrophobicContact CG2-CD2 4.19Å; T27-L84 HydrophobicContact CG2-CG 4.33Å
28I87.8Confident77.1Confident37 Ų3787.5 Ų87.519%0.1949%0.485CS..EExtended strand (participates in β ladder)trans-131113.8178.8-52.6174000107.5A12 L13 I15 R26 G30A12-I28 CarbonylContact C-O 3.33Å; A12-I28 WeakPolarHBondContact CA-O 3.39Å; L13-I28 HydrophobicContact CB-CB 4.3Å; L13-I28 PolarHBondContact N-O 3.26Å; L13-I28 PolarHBondContact O-N 3.29Å; I15-I28 HydrophobicContact CD1-CD1 4.11Å; R26-I28 HydrophobicContact CG-CD1 4.31Å; R26-I28 HydrophobicContact CG-CG1 4.04Å; I28-G30 WeakPolarHBondContact CG2-O 3.4Å
29I89.2Confident77.7Confident67 Ų6789.2 Ų89.234%0.34449%0.489SS..EExtended strand (participates in β ladder)trans-90109.4178.8-58.2170000108.7A12 L47 R79 L84A12-I29 HydrophobicContact CB-CG1 4.42Å; I29-L47 HydrophobicContact CG1-CD1 4.35Å; I29-L47 HydrophobicContact CG2-CD1 3.7Å; I29-R79 HydrophobicContact CD1-CB 4.09Å; I29-R79 HydrophobicContact CD1-CG 4.39Å; I29-R79 WeakPolarHBondContact CD1-O 3.45Å; I29-L84 HydrophobicContact CD1-CD2 4Å; I29-L84 HydrophobicContact CG1-CD2 3.95Å
30G84.9Confident79.3Confident13 Ų1385.1 Ų85.113%0.13446%0.461CS..EExtended strand (participates in β ladder)trans63.5162.1-173.400000114G8 E11 I28G8-G30 WeakPolarHBondContact O-CA 3.43Å; E11-G30 PolarHBondContact O-N 2.85Å; E11-G30 VanDerWaalsContact O-N 3.11Å; I28-G30 WeakPolarHBondContact CG2-O 3.4Å
31G89.4Confident80.7Confident45 Ų4584.6 Ų84.646%0.46445%0.446SS..EExtended strand (participates in β ladder)trans88.3-140.4179.200000112.4T6 V7T6-G31 CarbonylContact C-O 3.58Å; T6-G31 WeakPolarHBondContact CA-O 3.24Å; V7-G31 PolarHBondContact N-O 3.47Å; V7-G31 PolarHBondContact O-N 3Å
32W90Very high82.3Confident162 Ų16282.7 Ų82.761%0.61442%0.418SS*.EExtended strand (participates in β ladder)trans-140.6151.6-171.669.6-82.8000112.2I4 H5 T6 W34I4-W32 HydrophobicContact CG1-CE3 4.32Å; I4-W32 HydrophobicContact CG1-CZ3 4.33Å; I4-W32 HydrophobicContact CG2-CB 4.14Å; I4-W32 HydrophobicContact CG2-CD2 4.39Å; I4-W32 HydrophobicContact CG2-CE3 3.82Å; H5-W32 CarbonylContact O-C 3.34Å; H5-W32 VanDerWaalsContact O-CA 3.24Å; H5-W32 WeakPolarHBondContact O-CA 3.27Å; T6-W32 HydrophobicContact CG2-CB 3.97Å; W32-W34 HydrophobicContact CZ3-CB 4.49Å
33G86.5Confident83.8Confident4 Ų482.1 Ų82.14%0.04141%0.405CS..EExtended strand (participates in β ladder)trans-135.5148.317500000111.3H5H5-G33 PolarHBondContact N-O 3.33Å; H5-G33 PolarHBondContact O-N 3.31Å
34W86.3Confident84.9Confident121 Ų12182.3 Ų82.346%0.45839%0.386SS..EExtended strand (participates in β ladder)trans-94.1126.7174.9-178.4-83.9000110.4G2 I4 W32 W36G2-W34 WeakPolarHBondContact O-CH2 3.49Å; I4-W34 HydrophobicContact CD1-CE3 4.28Å; I4-W34 HydrophobicContact CD1-CZ3 4.16Å; I4-W34 HydrophobicContact CG1-CE3 3.57Å; I4-W34 HydrophobicContact CG1-CZ3 3.77Å; W32-W34 HydrophobicContact CZ3-CB 4.49Å; W34-W36 AromaticContact CD1-CD1 3.47Å; W34-W36 VanDerWaalsContact CD1-CD1 3.47Å; W34-W36 AromaticContact CD1-NE1 3.45Å; W34-W36 AromaticContact NE1-CD1 3.39Å; W34-W36 AromaticContact NE1-CE2 3.89Å; W34-W36 AromaticContact NE1-NE1 3.22Å
35A85.4Confident85.7Confident4 Ų475.1 Ų75.13%0.03336%0.355CS..EExtended strand (participates in β ladder)trans-120.2135.2178.300000110.7G2 N3 T40 V42G2-A35 CarbonylContact C-O 3.25Å; G2-A35 WeakPolarHBondContact CA-O 3.16Å; N3-A35 PolarHBondContact N-O 3.31Å; N3-A35 PolarHBondContact O-N 2.82Å; A35-T40 WeakPolarHBondContact CA-OG1 3.47Å; A35-T40 WeakPolarHBondContact CB-OG1 3.37Å; A35-V42 HydrophobicContact CB-CG2 3.27Å
36W84.8Confident86.1Confident148 Ų14875.2 Ų75.256%0.56136%0.358SS*.EExtended strand (participates in β ladder)trans-90122.2175.3-73.867.3000110.5W34 L38 V39 T40W34-W36 AromaticContact CD1-CD1 3.47Å; W34-W36 VanDerWaalsContact CD1-CD1 3.47Å; W34-W36 AromaticContact CD1-NE1 3.45Å; W34-W36 AromaticContact NE1-CD1 3.39Å; W34-W36 AromaticContact NE1-CE2 3.89Å; W34-W36 AromaticContact NE1-NE1 3.22Å; W36-L38 PolarHBondContact O-N 2.99Å; W36-V39 PolarHBondContact O-N 3.45Å; W36-V39 VanDerWaalsContact O-N 3.17Å; W36-T40 HydrophobicContact CB-CG2 4.16Å; W36-T40 PolarHBondContact N-OG1 3.34Å; W36-T40 PolarHBondContact O-N 3.23Å; W36-T40 PolarHBondContact O-OG1 3.36Å
37W77.3Confident86.4Confident170 Ų17067.3 Ų67.364%0.64433%0.328SS*.THydrogen-bonded Turntrans-48.8-24.2-172.269.6-20.4000117.7M1M1-W37 HydrophobicContact CB-CD2 4.03Å; M1-W37 HydrophobicContact CB-CE3 4.29Å; M1-W37 HydrophobicContact CB-CG 4.42Å; M1-W37 HydrophobicContact CB-CZ2 4.37Å; M1-W37 VanDerWaalsContact O-CD1 3.24Å; M1-W37 HydrophobicContact SD-CE3 4.38Å; M1-W37 HydrophobicContact SD-CH2 3.74Å; M1-W37 HydrophobicContact SD-CZ2 4.23Å; M1-W37 HydrophobicContact SD-CZ3 3.81Å
38L79Confident86.5Confident135 Ų13567 Ų6771%0.70733%0.331SS*.THydrogen-bonded Turntrans-114.4-13.4-170.4-105.7163.4000113.5W36W36-L38 PolarHBondContact O-N 2.99Å
39V82.6Confident86.8Confident68 Ų6869.1 Ų69.141%0.41235%0.345SS..THydrogen-bonded Turntrans-131.9-10.2-169.6-156.10000112.5G17 G18 C19 W36G17-V39 CarbonylContact C-O 3.59Å; G17-V39 VanDerWaalsContact C-O 3.25Å; G17-V39 VanDerWaalsContact CA-O 3.31Å; G17-V39 WeakPolarHBondContact CA-O 3.39Å; G18-V39 VanDerWaalsContact C-CG1 3.46Å; G18-V39 PolarHBondContact N-O 2.85Å; C19-V39 HydrophobicContact CB-CG1 4.43Å; W36-V39 PolarHBondContact O-N 3.45Å; W36-V39 VanDerWaalsContact O-N 3.17Å
40T83.7Confident86.9Confident27 Ų2766.3 Ų66.317%0.16633%0.331CS..  trans-122.1132.6179.463.10000111I15 S16 A35 W36I15-T40 HydrophobicContact CG2-CG2 4.17Å; S16-T40 CarbonylContact O-C 3.49Å; S16-T40 VanDerWaalsContact O-CA 3.23Å; S16-T40 WeakPolarHBondContact O-CA 3.39Å; A35-T40 WeakPolarHBondContact CA-OG1 3.47Å; A35-T40 WeakPolarHBondContact CB-OG1 3.37Å; W36-T40 HydrophobicContact CB-CG2 4.16Å; W36-T40 PolarHBondContact N-OG1 3.34Å; W36-T40 PolarHBondContact O-N 3.23Å; W36-T40 PolarHBondContact O-OG1 3.36Å
41E86Confident87.4Confident112 Ų11269.8 Ų69.852%0.52335%0.349SS..EExtended strand (participates in β ladder)trans-98.6136.6168.1-169.7-179167.700109.1I15 S16 Q43I15-E41 WeakPolarHBondContact CA-O 3.26Å; S16-E41 PolarHBondContact N-O 3.01Å; S16-E41 PolarHBondContact O-N 3.4Å; E41-Q43 HydrophobicContact CG-CG 4.48Å; E41-Q43 PolarHBondContact OE1-NE2 2.94Å
42V87.3Confident87.6Confident41 Ų4167.8 Ų67.825%0.24833%0.328CS..EExtended strand (participates in β ladder)trans-118.3122.2-178.1-177.50000109.2H5 L13 V14 I15 A35H5-V42 HydrophobicContact CB-CG1 4.23Å; L13-V42 HydrophobicContact CD1-CG1 3.26Å; L13-V42 HydrophobicContact CD2-CG1 4.49Å; L13-V42 HydrophobicContact CG-CG1 4Å; V14-V42 WeakPolarHBondContact O-CA 3.44Å; I15-V42 HydrophobicContact CG1-CG2 4.36Å; A35-V42 HydrophobicContact CB-CG2 3.27Å
43Q89.2Confident87.9Confident50 Ų5064.6 Ų64.623%0.23432%0.323CS..EExtended strand (participates in β ladder)trans-126.9153.3175-61.8-167.91500110.3V14 E41 L92 G93V14-Q43 PolarHBondContact N-O 2.89Å; V14-Q43 PolarHBondContact O-N 2.91Å; E41-Q43 HydrophobicContact CG-CG 4.48Å; E41-Q43 PolarHBondContact OE1-NE2 2.94Å; Q43-L92 HydrophobicContact CB-CD2 3.68Å; Q43-L92 VanDerWaalsContact OE1-CB 3.25Å; Q43-G93 VanDerWaalsContact OE1-N 3.12Å
44K88.9Confident88.3Confident111 Ų11164.4 Ų64.448%0.48332%0.321SS..EExtended strand (participates in β ladder)trans-119.7137-179.9-64.3-177.1172.5-160.50109.3T6 V7 E11 A12 L13T6-K44 PolarHBondContact O-NZ 3.16Å; V7-K44 HydrophobicContact CG1-CD 4.03Å; V7-K44 HydrophobicContact CG1-CG 4.1Å; E11-K44 IonicContact OE2-NZ 2.69Å; A12-K44 WeakPolarHBondContact O-CA 3.25Å; L13-K44 HydrophobicContact CD1-CG 3.88Å
45I89Confident88.7Confident12 Ų1261 Ų616%0.06231%0.314CS..EExtended strand (participates in β ladder)trans-120.4133.5171.8-168.5168.1000109.5E11 A12 L47 V77 F91E11-I45 WeakPolarHBondContact CA-O 3.41Å; A12-I45 HydrophobicContact CB-CG2 3.64Å; A12-I45 PolarHBondContact N-O 2.73Å; A12-I45 PolarHBondContact O-N 3.04Å; I45-L47 HydrophobicContact CG2-CD2 4.44Å; I45-L47 PolarHBondContact O-N 2.97Å; I45-V77 HydrophobicContact CD1-CG2 4.47Å; I45-F91 HydrophobicContact CD1-CB 4.14Å
46S89.1Confident89.1Confident56 Ų5660.9 Ų60.939%0.39231%0.312SS..EExtended strand (participates in β ladder)trans-75.1124.3175.2-177.70000109.5G48S46-G48 VanDerWaalsContact C-N 3.27Å; S46-G48 PolarHBondContact OG-N 2.91Å
47L89.8Confident89.5Confident3 Ų359.4 Ų59.42%0.01631%0.312CS..  trans-93.513.3170.8-54.2176.2000111.4S10 A12 I29 I45 K76 V77 R79 L84S10-L47 WeakPolarHBondContact O-CA 3.44Å; S10-L47 WeakPolarHBondContact O-CB 3.47Å; S10-L47 PolarHBondContact O-N 2.73Å; A12-L47 HydrophobicContact CB-CD1 3.96Å; A12-L47 HydrophobicContact CB-CD2 4.11Å; A12-L47 HydrophobicContact CB-CG 4.11Å; I29-L47 HydrophobicContact CG1-CD1 4.35Å; I29-L47 HydrophobicContact CG2-CD1 3.7Å; I45-L47 HydrophobicContact CG2-CD2 4.44Å; I45-L47 PolarHBondContact O-N 2.97Å; L47-K76 WeakPolarHBondContact O-CE 3.44Å; L47-K76 WeakPolarHBondContact O-CG 3.24Å; L47-V77 HydrophobicContact CD2-CB 3.84Å; L47-V77 HydrophobicContact CD2-CG1 3.82Å; L47-R79 HydrophobicContact CD1-CG 4.49Å; L47-L84 HydrophobicContact CD2-CD1 3.98Å
48G90.1Very high90.1Very high22 Ų2254.9 Ų54.923%0.22730%0.3CS..SBendtrans-67.8161.4176.100000112.4S46S46-G48 VanDerWaalsContact C-N 3.27Å; S46-G48 PolarHBondContact OG-N 2.91Å
49V93.4Very high90.8Very high80 Ų8049.1 Ų49.149%0.48527%0.271SS..  trans-70.3133172.2-178.80000109Q74 L150V49-Q74 HydrophobicContact CG1-CB 4.05Å; V49-Q74 HydrophobicContact CG1-CG 4.46Å; V49-L150 HydrophobicContact CG1-CD1 4.13Å; V49-L150 HydrophobicContact CG2-CD1 3.69Å
50M92.9Very high91.2Very high9 Ų952.1 Ų52.14%0.04428%0.28CS..EExtended strand (participates in β ladder)trans-109.9130.8173.5-58.7-178.5-83.600109.1V75 V77 Q96 I99 Q100 I103 I147M50-V75 HydrophobicContact CB-CG2 3.98Å; M50-V75 HydrophobicContact CE-CG2 4.16Å; M50-V75 PolarHBondContact N-O 3.35Å; M50-V75 PolarHBondContact O-N 3.28Å; M50-V77 HydrophobicContact CE-CG2 4.35Å; M50-Q96 VanDerWaalsContact CG-NE2 3.33Å; M50-Q96 PolarHBondContact SD-NE2 2.91Å; M50-I99 HydrophobicContact CE-CG2 4.3Å; M50-I99 HydrophobicContact SD-CG2 4.25Å; M50-Q100 HydrophobicContact SD-CG 4.27Å; M50-I103 HydrophobicContact CE-CD1 3.92Å; M50-I147 HydrophobicContact CE-CD1 4.34Å
51T94.8Very high91.6Very high85 Ų8551.1 Ų51.152%0.52127%0.274SS..EExtended strand (participates in β ladder)trans-92.2124.2171.352.80000109.6Q74T51-Q74 HydrophobicContact CG2-CG 4.38Å
52L94.6Very high91.9Very high4 Ų448.6 Ų48.62%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-114.8141.3175.1-53.4177.2000109P54 A73 V75 Q100 I103L52-P54 VanDerWaalsContact C-CD 3.48Å; L52-P54 VanDerWaalsContact O-CD 3.25Å; L52-P54 WeakPolarHBondContact O-CD 3.27Å; L52-A73 HydrophobicContact CB-CB 4.33Å; L52-A73 PolarHBondContact N-O 2.94Å; L52-A73 PolarHBondContact O-N 3.44Å; L52-V75 HydrophobicContact CD1-CG1 4.08Å; L52-V75 HydrophobicContact CD1-CG2 3.59Å; L52-V75 HydrophobicContact CG-CG2 3.93Å; L52-Q100 HydrophobicContact CD2-CB 3.68Å; L52-Q100 HydrophobicContact CD2-CG 3.73Å; L52-I103 HydrophobicContact CD1-CB 3.73Å; L52-I103 HydrophobicContact CD1-CG2 3.32Å
53N95.4Very high91.9Very high95 Ų9552.6 Ų52.651%0.50828%0.284SS..  trans-117.179.6178.7-61.3-26.5000108.8V55 G71N53-V55 PolarHBondContact O-N 3.04Å; N53-G71 WeakPolarHBondContact CA-O 3.44Å
54P94.8Very high91.9Very high0 Ų052.2 Ų52.20%029%0.294CS..  trans-65.4133176.626.3-33.6000110.5L52 G71 M107 E108 L111 F152L52-P54 VanDerWaalsContact C-CD 3.48Å; L52-P54 VanDerWaalsContact O-CD 3.25Å; L52-P54 WeakPolarHBondContact O-CD 3.27Å; P54-G71 WeakPolarHBondContact CD-O 3.31Å; P54-G71 PolarHBondContact O-N 2.94Å; P54-M107 HydrophobicContact CB-CB 4.24Å; P54-E108 HydrophobicContact CB-CG 3.75Å; P54-L111 HydrophobicContact CB-CD2 4.5Å; P54-F152 HydrophobicContact CG-CE2 3.95Å
55V94.6Very high92Very high50 Ų5047.7 Ų47.730%0.30328%0.276SS..EExtended strand (participates in β ladder)trans-124.6128.7178.1-178.40000109.5N53 E57 T70 E108N53-V55 PolarHBondContact O-N 3.04Å; V55-E57 HydrophobicContact CG1-CG 3.88Å; V55-T70 HydrophobicContact CG1-CG2 4.2Å; V55-T70 HydrophobicContact CG2-CG2 4.19Å; V55-E108 PolarHBondContact N-OE1 2.82Å; V55-E108 VanDerWaalsContact O-CD 3.31Å
56C93.3Very high92.2Very high0 Ų048.2 Ų48.20%028%0.28CS..EExtended strand (participates in β ladder)trans-117.9106.8172.4-78.60000108.8V59 T68 V69 E108 L111 L115C56-V59 HydrophobicContact CB-CG2 4.01Å; C56-T68 CarbonylContact O-C 3.54Å; C56-T68 VanDerWaalsContact O-CA 3.28Å; C56-T68 WeakPolarHBondContact O-CA 3.28Å; C56-V69 PolarHBondContact N-O 3.47Å; C56-V69 PolarHBondContact O-N 3.24Å; C56-E108 PolarHBondContact SG-O 3.37Å; C56-E108 VanDerWaalsContact SG-O 3.34Å; C56-L111 HydrophobicContact CB-CD2 4.07Å; C56-L111 HydrophobicContact CB-CG 4.35Å; C56-L115 HydrophobicContact CB-CD1 3.96Å
57E92.9Very high92.5Very high117 Ų11745.6 Ų45.655%0.54726%0.262SS..EExtended strand (participates in β ladder)trans-92.5137.5177.8-58.3-168.117600111.8V55 V59 T68 R160V55-E57 HydrophobicContact CG1-CG 3.88Å; E57-V59 PolarHBondContact O-N 3.46Å; E57-T68 HydrophobicContact CB-CG2 4.39Å; E57-T68 HydrophobicContact CG-CG2 4.07Å; E57-R160 IonicContact OE2-NH2 2.78Å
58N91.1Very high92.6Very high75 Ų7545.5 Ų45.540%0.40126%0.261SS..EExtended strand (participates in β ladder)trans53.747.5168-159.370.9000114.1P66 L67 T68N58-P66 WeakPolarHBondContact OD1-CB 3.41Å; N58-L67 PolarHBondContact N-O 3.45Å; N58-T68 PolarHBondContact N-OG1 2.82Å
59V92.5Very high92.8Very high15 Ų1544.4 Ų44.49%0.09125%0.25CS..EExtended strand (participates in β ladder)trans-92.4127.3175.4-1770000108.9C56 E57 L67 R112 L115C56-V59 HydrophobicContact CB-CG2 4.01Å; E57-V59 PolarHBondContact O-N 3.46Å; V59-L67 PolarHBondContact N-O 2.93Å; V59-L67 PolarHBondContact O-N 2.98Å; V59-R112 HydrophobicContact CG1-CG 4.07Å; V59-R112 HydrophobicContact CG2-CB 4.47Å; V59-R112 HydrophobicContact CG2-CG 3.92Å; V59-L115 HydrophobicContact CB-CB 4.45Å; V59-L115 HydrophobicContact CB-CD1 4.3Å; V59-L115 HydrophobicContact CG1-CB 3.85Å; V59-L115 HydrophobicContact CG1-CD1 4.49Å; V59-L115 HydrophobicContact CG2-CD1 4.42Å
60E91.6Very high92.9Very high130 Ų13041.5 Ų41.561%0.60723%0.232SC*.EExtended strand (participates in β ladder)trans-74.2130.2174.6-66.8179.8-179.500109.9G116E60-G116 WeakPolarHBondContact O-CA 3.26Å
61T92.2Very high92.9Very high7 Ų741.1 Ų41.14%0.04323%0.231CC..  trans-78.1178172.149.60000111.2E63 G64 V65 L67 L118 V120 I123T61-E63 PolarHBondContact O-N 2.86Å; T61-G64 PolarHBondContact O-N 3.44Å; T61-V65 PolarHBondContact N-O 2.9Å; T61-V65 VanDerWaalsContact N-O 3.13Å; T61-V65 PolarHBondContact OG1-N 2.84Å; T61-V65 PolarHBondContact OG1-O 3.11Å; T61-V65 VanDerWaalsContact OG1-O 3.06Å; T61-L67 HydrophobicContact CG2-CD1 3.46Å; T61-L67 VanDerWaalsContact CG2-CD1 3.46Å; T61-L67 HydrophobicContact CG2-CG 3.89Å; T61-L118 WeakPolarHBondContact CB-O 3.14Å; T61-V120 HydrophobicContact CG2-CG2 4Å; T61-V120 WeakPolarHBondContact OG1-CG2 3.17Å; T61-I123 HydrophobicContact CG2-CD1 3.81Å
62S91.9Very high93Very high58 Ų5838.9 Ų38.941%0.40622%0.217SC..THydrogen-bonded Turntrans-55.8-25.3175.2660000113.5L118 T119S62-L118 PolarHBondContact N-O 3.45Å; S62-L118 PolarHBondContact OG-O 3.03Å; S62-T119 WeakPolarHBondContact OG-CA 3.36Å; S62-T119 WeakPolarHBondContact OG-CG2 3.21Å; S62-T119 PolarHBondContact OG-N 2.72Å
63E89Confident93Very high125 Ų12538.7 Ų38.758%0.58422%0.216SC*.THydrogen-bonded Turntrans-92.23.7178.7-58.2-57.1134.500113.4T61 V65 T119T61-E63 PolarHBondContact O-N 2.86Å; E63-V65 VanDerWaalsContact C-N 3.29Å; E63-V65 HydrophobicContact CB-CG2 4.41Å; E63-V65 PolarHBondContact O-N 3.3Å; E63-T119 HydrophobicContact CG-CG2 4.3Å
64G88.7Confident93Very high43 Ų4338.3 Ų38.344%0.44321%0.211SC..SBendtrans73.913.7-178.800000114.8T61T61-G64 PolarHBondContact O-N 3.44Å
65V90.9Very high93Very high15 Ų1538.3 Ų38.39%0.09121%0.211CC..  trans-86.8123.6176.6-178.80000109.2T61 E63 L67 V120 V161 Y163T61-V65 PolarHBondContact N-O 2.9Å; T61-V65 VanDerWaalsContact N-O 3.13Å; T61-V65 PolarHBondContact OG1-N 2.84Å; T61-V65 PolarHBondContact OG1-O 3.11Å; T61-V65 VanDerWaalsContact OG1-O 3.06Å; E63-V65 VanDerWaalsContact C-N 3.29Å; E63-V65 HydrophobicContact CB-CG2 4.41Å; E63-V65 PolarHBondContact O-N 3.3Å; V65-L67 HydrophobicContact CG1-CD2 4.27Å; V65-L67 PolarHBondContact O-N 3.37Å; V65-V120 HydrophobicContact CB-CG2 3.63Å; V65-V120 HydrophobicContact CG1-CG2 4.06Å; V65-V120 HydrophobicContact CG2-CG2 3.97Å; V65-V161 HydrophobicContact CG1-CG2 4.06Å; V65-Y163 HydrophobicContact CG1-CD1 4.26Å; V65-Y163 HydrophobicContact CG1-CG 4.02Å; V65-Y163 HydrophobicContact CG2-CD1 4.48Å; V65-Y163 HydrophobicContact CG2-CD2 4.07Å; V65-Y163 HydrophobicContact CG2-CE2 4.14Å; V65-Y163 HydrophobicContact CG2-CG 4.25Å
66P93.7Very high93Very high23 Ų2338 Ų3815%0.14921%0.206CC..EExtended strand (participates in β ladder)trans-75.1115178.928.9-33.4000111N58 V161N58-P66 WeakPolarHBondContact OD1-CB 3.41Å; P66-V161 HydrophobicContact CG-CG1 4.01Å; P66-V161 HydrophobicContact CG-CG2 4.21Å
67L93.5Very high93Very high1 Ų138.2 Ų38.21%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-109.7148176.7-65.2-175000111.7N58 V59 T61 V65 V69 V120 I123 V157 D159 L164N58-L67 PolarHBondContact N-O 3.45Å; V59-L67 PolarHBondContact N-O 2.93Å; V59-L67 PolarHBondContact O-N 2.98Å; T61-L67 HydrophobicContact CG2-CD1 3.46Å; T61-L67 VanDerWaalsContact CG2-CD1 3.46Å; T61-L67 HydrophobicContact CG2-CG 3.89Å; V65-L67 HydrophobicContact CG1-CD2 4.27Å; V65-L67 PolarHBondContact O-N 3.37Å; L67-V69 HydrophobicContact CB-CG2 4.47Å; L67-V120 HydrophobicContact CD1-CB 4.46Å; L67-V120 HydrophobicContact CD1-CG1 4.14Å; L67-V120 HydrophobicContact CD1-CG2 4.18Å; L67-V120 HydrophobicContact CD2-CG1 4.3Å; L67-I123 HydrophobicContact CD1-CD1 4.05Å; L67-V157 HydrophobicContact CD1-CG1 4.33Å; L67-D159 HydrophobicContact CD2-CB 3.75Å; L67-L164 HydrophobicContact CD2-CD1 4.47Å
68T94Very high93Very high1 Ų134 Ų341%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-112.3124165.9-55.50000109.1C56 E57 N58 Y158C56-T68 CarbonylContact O-C 3.54Å; C56-T68 VanDerWaalsContact O-CA 3.28Å; C56-T68 WeakPolarHBondContact O-CA 3.28Å; E57-T68 HydrophobicContact CB-CG2 4.39Å; E57-T68 HydrophobicContact CG-CG2 4.07Å; N58-T68 PolarHBondContact N-OG1 2.82Å; T68-Y158 WeakPolarHBondContact CA-O 3.3Å; T68-Y158 VanDerWaalsContact CB-CE2 3.49Å; T68-Y158 HydrophobicContact CG2-CD2 4.41Å; T68-Y158 HydrophobicContact CG2-CE1 3.79Å; T68-Y158 HydrophobicContact CG2-CE2 3.61Å; T68-Y158 WeakPolarHBondContact CG2-OH 3.5Å; T68-Y158 PolarHBondContact N-O 3.48Å; T68-Y158 PolarHBondContact O-N 3.39Å; T68-Y158 VanDerWaalsContact O-O 3.12Å
69V94Very high92.9Very high0 Ų036.6 Ų36.60%019%0.192CC..EExtended strand (participates in β ladder)trans-124.2132.1-176.8-179.80000109.8C56 L67 L111 L115 F130 I154 V157C56-V69 PolarHBondContact N-O 3.47Å; C56-V69 PolarHBondContact O-N 3.24Å; L67-V69 HydrophobicContact CB-CG2 4.47Å; V69-L111 HydrophobicContact CG1-CD1 4.42Å; V69-L111 HydrophobicContact CG1-CD2 4.39Å; V69-L115 HydrophobicContact CB-CD1 3.96Å; V69-L115 HydrophobicContact CB-CD2 4.43Å; V69-L115 HydrophobicContact CG2-CD1 3.85Å; V69-L115 HydrophobicContact CG2-CD2 3.67Å; V69-L115 HydrophobicContact CG2-CG 4.43Å; V69-F130 HydrophobicContact CG1-CE1 4.2Å; V69-I154 HydrophobicContact CG1-CD1 4.23Å; V69-I154 HydrophobicContact CG1-CG2 4.07Å; V69-V157 HydrophobicContact CG1-CG2 4.18Å; V69-V157 HydrophobicContact CG2-CG1 4.11Å; V69-V157 HydrophobicContact CG2-CG2 4.1Å
70T94.6Very high92.8Very high18 Ų1840.2 Ų40.211%0.1121%0.211CC..EExtended strand (participates in β ladder)trans-115.6137.4175.161.20000109.2V55 K155 D156 Y158V55-T70 HydrophobicContact CG1-CG2 4.2Å; V55-T70 HydrophobicContact CG2-CG2 4.19Å; T70-K155 PolarHBondContact O-N 3.21Å; T70-D156 PolarHBondContact N-O 2.92Å; T70-D156 PolarHBondContact O-N 2.85Å; T70-D156 WeakPolarHBondContact OG1-CA 3.48Å; T70-D156 WeakPolarHBondContact OG1-CB 3.33Å; T70-D156 PolarHBondContact OG1-N 3.41Å; T70-D156 PolarHBondContact OG1-O 3.38Å; T70-D156 VanDerWaalsContact OG1-O 3.13Å; T70-Y158 HydrophobicContact CG2-CE1 4.3Å
71G93.9Very high92.6Very high2 Ų238.7 Ų38.72%0.02121%0.207CC..EExtended strand (participates in β ladder)trans-123.3165.5176.100000112N53 P54 T153N53-G71 WeakPolarHBondContact CA-O 3.44Å; P54-G71 WeakPolarHBondContact CD-O 3.31Å; P54-G71 PolarHBondContact O-N 2.94Å; G71-T153 CarbonylContact C-O 3.59Å; G71-T153 VanDerWaalsContact CA-O 3.3Å; G71-T153 WeakPolarHBondContact CA-O 3.35Å
72V95.6Very high92.4Very high38 Ų3846.4 Ų46.423%0.2324%0.24CC..EExtended strand (participates in β ladder)trans-125.2121.4165.5179.20000107.6T153 K155V72-T153 PolarHBondContact N-O 2.95Å; V72-T153 PolarHBondContact O-N 3.2Å; V72-T153 PolarHBondContact O-OG1 3.01Å; V72-K155 HydrophobicContact CG2-CB 4.28Å; V72-K155 HydrophobicContact CG2-CD 4.47Å
73A95.7Very high92.4Very high0 Ų046.2 Ų46.20%023%0.234CC..EExtended strand (participates in β ladder)trans-115.3131.2176.700000109.7L52 S151 F152L52-A73 HydrophobicContact CB-CB 4.33Å; L52-A73 PolarHBondContact N-O 2.94Å; L52-A73 PolarHBondContact O-N 3.44Å; A73-S151 CarbonylContact C-O 3.58Å; A73-S151 WeakPolarHBondContact CA-O 3.23Å; A73-F152 HydrophobicContact CB-CD2 3.72Å; A73-F152 HydrophobicContact CB-CE2 4.25Å
74Q95.5Very high92.4Very high86 Ų8640.3 Ų40.340%0.40221%0.207SC..EExtended strand (participates in β ladder)trans-104.1118.4169.3-66.6-174.5700108.1V49 T51 L150 S151V49-Q74 HydrophobicContact CG1-CB 4.05Å; V49-Q74 HydrophobicContact CG1-CG 4.46Å; T51-Q74 HydrophobicContact CG2-CG 4.38Å; Q74-L150 HydrophobicContact CB-CB 4.35Å; Q74-L150 WeakPolarHBondContact O-CB 2.89Å; Q74-L150 PolarHBondContact O-N 3.08Å; Q74-S151 PolarHBondContact N-O 2.67Å; Q74-S151 PolarHBondContact O-N 3.48Å
75V94.8Very high92.5Very high0 Ų041.6 Ų41.60%020%0.201CC..EExtended strand (participates in β ladder)trans-124.4154.2-178.1-59.10000110.6M50 L52 I103 I147 E148 I149M50-V75 HydrophobicContact CB-CG2 3.98Å; M50-V75 HydrophobicContact CE-CG2 4.16Å; M50-V75 PolarHBondContact N-O 3.35Å; M50-V75 PolarHBondContact O-N 3.28Å; L52-V75 HydrophobicContact CD1-CG1 4.08Å; L52-V75 HydrophobicContact CD1-CG2 3.59Å; L52-V75 HydrophobicContact CG-CG2 3.93Å; V75-I103 HydrophobicContact CG2-CD1 4.38Å; V75-I103 HydrophobicContact CG2-CG2 4.48Å; V75-I147 HydrophobicContact CB-CG2 3.75Å; V75-I147 HydrophobicContact CG1-CG2 4.3Å; V75-I147 HydrophobicContact CG2-CG2 4.25Å; V75-E148 CarbonylContact C-O 3.6Å; V75-E148 VanDerWaalsContact CA-O 3.26Å; V75-E148 WeakPolarHBondContact CA-O 3.49Å; V75-I149 HydrophobicContact CG1-CG1 4.39Å
76K93.9Very high92.4Very high44 Ų4442.1 Ų42.119%0.19121%0.207CC..EExtended strand (participates in β ladder)trans-144.7148.9-179.9-175.1-176.5169.9-172.70110L47 E148 L150L47-K76 WeakPolarHBondContact O-CE 3.44Å; L47-K76 WeakPolarHBondContact O-CG 3.24Å; K76-E148 PolarHBondContact N-O 2.98Å; K76-E148 PolarHBondContact O-N 2.99Å; K76-L150 HydrophobicContact CB-CD1 3.88Å; K76-L150 HydrophobicContact CB-CD2 4.48Å; K76-L150 HydrophobicContact CB-CG 4.13Å; K76-L150 HydrophobicContact CD-CD1 4.32Å
77V93.5Very high92.3Very high4 Ų441 Ų412%0.02420%0.2CC..EExtended strand (participates in β ladder)trans-69.6130.2171.1-176.70000109.6I45 L47 M50 L84 A87 I147I45-V77 HydrophobicContact CD1-CG2 4.47Å; L47-V77 HydrophobicContact CD2-CB 3.84Å; L47-V77 HydrophobicContact CD2-CG1 3.82Å; M50-V77 HydrophobicContact CE-CG2 4.35Å; V77-L84 HydrophobicContact CG1-CD1 3.92Å; V77-A87 HydrophobicContact CG1-CB 3.67Å; V77-I147 HydrophobicContact CB-CD1 4.47Å; V77-I147 HydrophobicContact CG2-CD1 3.83Å
78M92.5Very high92.1Very high30 Ų3041.2 Ų41.215%0.14820%0.201CC..  trans-66.2144178.7-74.1-171.5-80.300111.4L83 G143 G146 E148M78-L83 HydrophobicContact CB-CB 3.99Å; M78-L83 HydrophobicContact CB-CD1 4.45Å; M78-L83 HydrophobicContact CE-CB 3.96Å; M78-L83 HydrophobicContact CE-CD1 3.52Å; M78-L83 HydrophobicContact CE-CD2 3.97Å; M78-L83 HydrophobicContact CE-CG 4Å; M78-L83 HydrophobicContact SD-CB 4.44Å; M78-L83 HydrophobicContact SD-CD1 3.43Å; M78-L83 WeakPolarHBondContact SD-CD1 3.29Å; M78-L83 HydrophobicContact SD-CG 4.42Å; M78-G143 WeakPolarHBondContact CE-O 3.38Å; M78-G146 PolarHBondContact N-O 3.2Å; M78-E148 HydrophobicContact CG-CB 3.56Å; M78-E148 HydrophobicContact SD-CB 4.13Å
79R89Confident91.8Very high128 Ų12849 Ų4948%0.48324%0.238SC..  trans-90-10.9-179.3-71.9-177.6171.2172.8-6.4114.1P9 I29 L47P9-R79 PolarHBondContact O-NH2 2.83Å; I29-R79 HydrophobicContact CD1-CB 4.09Å; I29-R79 HydrophobicContact CD1-CG 4.39Å; I29-R79 WeakPolarHBondContact CD1-O 3.45Å; L47-R79 HydrophobicContact CD1-CG 4.49Å
80D90.6Very high91.5Very high91 Ų9152.9 Ų52.949%0.48726%0.256SS..SBendtrans-66.3134.6178.6-177.222.6000110.4K82 L83 L84D80-K82 VanDerWaalsContact C-N 3.29Å; D80-K82 PolarHBondContact O-N 3.42Å; D80-L83 HydrophobicContact CB-CB 4.43Å; D80-L83 HydrophobicContact CB-CD1 4.26Å; D80-L83 PolarHBondContact O-N 2.98Å; D80-L83 VanDerWaalsContact O-N 3.13Å; D80-L84 WeakPolarHBondContact O-CB 3.29Å; D80-L84 PolarHBondContact O-N 2.78Å
81D87.1Confident91.3Very high99 Ų9952.2 Ų52.253%0.52925%0.252SS..Hα-helixtrans-55.8-43.1-169.8-77.4-13000112.1E85D81-E85 WeakPolarHBondContact O-CG 3.45Å; D81-E85 PolarHBondContact O-N 3.38Å
82K88.4Confident91Very high169 Ų16954.6 Ų54.674%0.73526%0.263SS*.Hα-helixtrans-66.4-42.4-179.1-67.1-178.5-179.9177.20112.6D80 A86D80-K82 VanDerWaalsContact C-N 3.29Å; D80-K82 PolarHBondContact O-N 3.42Å; K82-A86 PolarHBondContact O-N 3.15Å
83L90.7Very high90.5Very high54 Ų5456.2 Ų56.228%0.28329%0.288SS..Hα-helixtrans-78.7-31.6-178-65.6169.3000111M78 D80 A86 A87 G146M78-L83 HydrophobicContact CB-CB 3.99Å; M78-L83 HydrophobicContact CB-CD1 4.45Å; M78-L83 HydrophobicContact CE-CB 3.96Å; M78-L83 HydrophobicContact CE-CD1 3.52Å; M78-L83 HydrophobicContact CE-CD2 3.97Å; M78-L83 HydrophobicContact CE-CG 4Å; M78-L83 HydrophobicContact SD-CB 4.44Å; M78-L83 HydrophobicContact SD-CD1 3.43Å; M78-L83 WeakPolarHBondContact SD-CD1 3.29Å; M78-L83 HydrophobicContact SD-CG 4.42Å; D80-L83 HydrophobicContact CB-CB 4.43Å; D80-L83 HydrophobicContact CB-CD1 4.26Å; D80-L83 PolarHBondContact O-N 2.98Å; D80-L83 VanDerWaalsContact O-N 3.13Å; L83-A86 PolarHBondContact O-N 2.78Å; L83-A87 PolarHBondContact O-N 2.74Å; L83-G146 WeakPolarHBondContact O-CA 3.36Å
84L90.8Very high90.1Very high0 Ų060.5 Ų60.50%031%0.306CS..Hα-helixtrans-65.8-41.4172.7-177.161.5000110.8A12 T27 I29 L47 V77 D80 A86 A87 C88A12-L84 HydrophobicContact CB-CD1 4.41Å; A12-L84 HydrophobicContact CB-CD2 4.33Å; T27-L84 HydrophobicContact CG2-CD2 4.19Å; T27-L84 HydrophobicContact CG2-CG 4.33Å; I29-L84 HydrophobicContact CD1-CD2 4Å; I29-L84 HydrophobicContact CG1-CD2 3.95Å; L47-L84 HydrophobicContact CD2-CD1 3.98Å; V77-L84 HydrophobicContact CG1-CD1 3.92Å; D80-L84 WeakPolarHBondContact O-CB 3.29Å; D80-L84 PolarHBondContact O-N 2.78Å; L84-A86 VanDerWaalsContact C-N 3.31Å; L84-A86 PolarHBondContact O-N 2.9Å; L84-A87 PolarHBondContact O-N 3.18Å; L84-C88 VanDerWaalsContact O-CB 3.26Å; L84-C88 WeakPolarHBondContact O-CB 3.28Å; L84-C88 PolarHBondContact O-N 3.1Å; L84-C88 PolarHBondContact O-SG 2.81Å
85E89.3Confident89.9Confident70 Ų7064.1 Ų64.133%0.32732%0.321SS..Hα-helixtrans-57.9-42.8172.2-77.5178.1-171.900111.5D81 C88 Q89D81-E85 WeakPolarHBondContact O-CG 3.45Å; D81-E85 PolarHBondContact O-N 3.38Å; E85-C88 WeakPolarHBondContact O-CB 3.36Å; E85-C88 PolarHBondContact O-N 2.73Å; E85-Q89 WeakPolarHBondContact O-CG 3.28Å; E85-Q89 PolarHBondContact O-N 3.39Å
86A90.1Very high89.6Confident27 Ų2767.8 Ų67.822%0.22334%0.338CS..Hα-helixtrans-64.3-45.4176.100000112.6K82 L83 L84 C88 Q89 Q90K82-A86 PolarHBondContact O-N 3.15Å; L83-A86 PolarHBondContact O-N 2.78Å; L84-A86 VanDerWaalsContact C-N 3.31Å; L84-A86 PolarHBondContact O-N 2.9Å; A86-C88 VanDerWaalsContact C-N 3.29Å; A86-C88 PolarHBondContact O-N 3.4Å; A86-Q89 PolarHBondContact O-N 2.84Å; A86-Q90 PolarHBondContact O-N 3.36Å; A86-Q90 VanDerWaalsContact O-N 3.15Å
87A91.9Very high89.5Confident0 Ų075 Ų750%036%0.364CS..Hα-helixtrans-61-39.9174.100000111.8V77 L83 L84 Q90 F91 M145V77-A87 HydrophobicContact CG1-CB 3.67Å; L83-A87 PolarHBondContact O-N 2.74Å; L84-A87 PolarHBondContact O-N 3.18Å; A87-Q90 PolarHBondContact O-N 3.17Å; A87-F91 HydrophobicContact CB-CD2 4.21Å; A87-F91 WeakPolarHBondContact O-CB 3.47Å; A87-F91 VanDerWaalsContact O-CD2 3.28Å; A87-F91 WeakPolarHBondContact O-CD2 3.5Å; A87-F91 PolarHBondContact O-N 3.32Å; A87-M145 WeakPolarHBondContact CA-O 3.26Å; A87-M145 WeakPolarHBondContact CB-O 3.36Å
88C89.4Confident89.4Confident4 Ų478.3 Ų78.33%0.02738%0.382CS..Hα-helixtrans-62.5-49.1176.8-73.20000110.7V14 L84 E85 A86 Q90 F91 L92V14-C88 HydrophobicContact CG2-CB 4.5Å; V14-C88 VanDerWaalsContact CG2-SG 3.51Å; L84-C88 VanDerWaalsContact O-CB 3.26Å; L84-C88 WeakPolarHBondContact O-CB 3.28Å; L84-C88 PolarHBondContact O-N 3.1Å; L84-C88 PolarHBondContact O-SG 2.81Å; E85-C88 WeakPolarHBondContact O-CB 3.36Å; E85-C88 PolarHBondContact O-N 2.73Å; A86-C88 VanDerWaalsContact C-N 3.29Å; A86-C88 PolarHBondContact O-N 3.4Å; C88-Q90 PolarHBondContact O-N 2.82Å; C88-F91 PolarHBondContact O-N 2.82Å; C88-L92 HydrophobicContact CB-CD1 3.63Å; C88-L92 HydrophobicContact CB-CG 4.02Å; C88-L92 WeakPolarHBondContact O-CB 3.46Å; C88-L92 VanDerWaalsContact O-CD1 3.31Å; C88-L92 WeakPolarHBondContact O-CD1 3.45Å; C88-L92 WeakPolarHBondContact O-CG 3.39Å; C88-L92 PolarHBondContact O-N 3.37Å
89Q87.1Confident89.3Confident166 Ų16677.5 Ų77.578%0.77638%0.378SS*.Hα-helixtrans-57.3-34.6177.5-72.9174.45.600112.8E85 A86E85-Q89 WeakPolarHBondContact O-CG 3.28Å; E85-Q89 PolarHBondContact O-N 3.39Å; A86-Q89 PolarHBondContact O-N 2.84Å
90Q88.2Confident89.5Confident81 Ų8174 Ų7438%0.37937%0.367SS..Hα-helixtrans-86.5-34.7-175.6-17162.94.400114.6A86 A87 C88 K94A86-Q90 PolarHBondContact O-N 3.36Å; A86-Q90 VanDerWaalsContact O-N 3.15Å; A87-Q90 PolarHBondContact O-N 3.17Å; C88-Q90 PolarHBondContact O-N 2.82Å; Q90-K94 WeakPolarHBondContact O-CE 3.4Å; Q90-K94 PolarHBondContact O-NZ 3.16Å
91F90.2Very high89.7Confident4 Ų473.7 Ų73.72%0.01837%0.365CS..Hα-helixtrans-116.1-10.7-166.8-58.5-52.3000115.1I45 A87 C88 G93 K94 I99 T102 I103 M145 I147I45-F91 HydrophobicContact CD1-CB 4.14Å; A87-F91 HydrophobicContact CB-CD2 4.21Å; A87-F91 WeakPolarHBondContact O-CB 3.47Å; A87-F91 VanDerWaalsContact O-CD2 3.28Å; A87-F91 WeakPolarHBondContact O-CD2 3.5Å; A87-F91 PolarHBondContact O-N 3.32Å; C88-F91 PolarHBondContact O-N 2.82Å; F91-G93 PolarHBondContact O-N 3.31Å; F91-K94 PolarHBondContact O-N 2.88Å; F91-I99 HydrophobicContact CB-CD1 3.87Å; F91-I99 HydrophobicContact CB-CG1 3.97Å; F91-I99 HydrophobicContact CD1-CB 4.11Å; F91-I99 HydrophobicContact CD1-CG1 3.76Å; F91-I99 HydrophobicContact CD1-CG2 3.75Å; F91-I99 HydrophobicContact CD2-CG2 4.41Å; F91-I99 HydrophobicContact CE1-CB 4.49Å; F91-I99 HydrophobicContact CE1-CG2 3.91Å; F91-I99 HydrophobicContact CG-CD1 4.37Å; F91-I99 HydrophobicContact CG-CG1 4.08Å; F91-I99 HydrophobicContact CG-CG2 4.01Å; F91-I99 HydrophobicContact CZ-CG2 4.33Å; F91-T102 HydrophobicContact CE1-CG2 4.46Å; F91-I103 HydrophobicContact CZ-CD1 4.41Å; F91-I103 HydrophobicContact CZ-CG1 4.22Å; F91-M145 HydrophobicContact CE2-CB 4.31Å; F91-M145 HydrophobicContact CZ-CB 4.23Å; F91-M145 HydrophobicContact CZ-CE 3.99Å; F91-M145 HydrophobicContact CZ-SD 4.32Å; F91-I147 HydrophobicContact CD2-CD1 4.38Å; F91-I147 HydrophobicContact CE2-CD1 3.68Å; F91-I147 HydrophobicContact CE2-CG1 3.8Å; F91-I147 HydrophobicContact CZ-CD1 4.38Å; F91-I147 HydrophobicContact CZ-CG1 4.19Å
92L86.3Confident89.9Confident51 Ų5170.8 Ų70.827%0.26735%0.351SS..THydrogen-bonded Turntrans-59.4134.9176.4-80.8175.6000111.7V14 Q43 C88 K94V14-L92 HydrophobicContact CB-CD1 4.22Å; V14-L92 HydrophobicContact CB-CD2 4.23Å; V14-L92 HydrophobicContact CG1-CD1 3.89Å; V14-L92 HydrophobicContact CG2-CD1 4.25Å; V14-L92 HydrophobicContact CG2-CD2 3.97Å; Q43-L92 HydrophobicContact CB-CD2 3.68Å; Q43-L92 VanDerWaalsContact OE1-CB 3.25Å; C88-L92 HydrophobicContact CB-CD1 3.63Å; C88-L92 HydrophobicContact CB-CG 4.02Å; C88-L92 WeakPolarHBondContact O-CB 3.46Å; C88-L92 VanDerWaalsContact O-CD1 3.31Å; C88-L92 WeakPolarHBondContact O-CD1 3.45Å; C88-L92 WeakPolarHBondContact O-CG 3.39Å; C88-L92 PolarHBondContact O-N 3.37Å; L92-K94 PolarHBondContact O-N 2.82Å
93G84.9Confident90.1Very high72 Ų7262.7 Ų62.774%0.74232%0.316SS*.THydrogen-bonded Turntrans75.9-8-176.600000116.4Q43 F91Q43-G93 VanDerWaalsContact OE1-N 3.12Å; F91-G93 PolarHBondContact O-N 3.31Å
94K88.1Confident90.3Very high91 Ų9161.9 Ų61.940%0.39631%0.311SS..  trans-84.2152179-67.6-176.7179.4163.40112.2Q90 F91 L92 D98 I99Q90-K94 WeakPolarHBondContact O-CE 3.4Å; Q90-K94 PolarHBondContact O-NZ 3.16Å; F91-K94 PolarHBondContact O-N 2.88Å; L92-K94 PolarHBondContact O-N 2.82Å; K94-D98 HydrophobicContact CB-CB 4.44Å; K94-I99 HydrophobicContact CB-CG1 4.11Å
95K90.5Very high90.4Very high161 Ų16168.3 Ų68.370%0.734%0.342SS*.  trans-72.4150.4172.3-63.6177.3180172.30109.6R97 D98 I99K95-R97 PolarHBondContact O-N 3.43Å; K95-R97 VanDerWaalsContact O-N 3.11Å; K95-D98 WeakPolarHBondContact CB-OD2 3.45Å; K95-D98 PolarHBondContact N-OD2 2.83Å; K95-D98 WeakPolarHBondContact O-CB 3.02Å; K95-D98 PolarHBondContact O-N 3.35Å; K95-I99 PolarHBondContact O-N 2.82Å
96Q88.6Confident90.5Very high78 Ų7866.8 Ų66.836%0.36434%0.337SS..Hα-helixtrans-52.2-37.5178-172.464.813.100113.4M50 D98 I99 Q100M50-Q96 VanDerWaalsContact CG-NE2 3.33Å; M50-Q96 PolarHBondContact SD-NE2 2.91Å; Q96-D98 VanDerWaalsContact C-N 3.35Å; Q96-I99 PolarHBondContact O-N 3.46Å; Q96-Q100 VanDerWaalsContact O-CG 3.28Å; Q96-Q100 WeakPolarHBondContact O-CG 3.44Å; Q96-Q100 PolarHBondContact O-N 3.37Å
97R91.4Very high90.6Very high195 Ų19565.5 Ų65.574%0.73633%0.327SS*.Hα-helixtrans-64.2-38.8176.6-65.9-177.4-177161.40.4112.2K95 Q100 N101K95-R97 PolarHBondContact O-N 3.43Å; K95-R97 VanDerWaalsContact O-N 3.11Å; R97-Q100 PolarHBondContact O-N 2.77Å; R97-N101 WeakPolarHBondContact O-CB 3.39Å; R97-N101 PolarHBondContact O-N 2.85Å; R97-N101 PolarHBondContact O-ND2 3.36Å; R97-N101 PolarHBondContact O-OD1 2.97Å
98D92.1Very high90.7Very high74 Ų7467.4 Ų67.440%0.39634%0.335SS..Hα-helixtrans-70.8-37-178.9-53.9-30.7000110.8K94 K95 Q96 N101 T102K94-D98 HydrophobicContact CB-CB 4.44Å; K95-D98 WeakPolarHBondContact CB-OD2 3.45Å; K95-D98 PolarHBondContact N-OD2 2.83Å; K95-D98 WeakPolarHBondContact O-CB 3.02Å; K95-D98 PolarHBondContact O-N 3.35Å; Q96-D98 VanDerWaalsContact C-N 3.35Å; D98-N101 PolarHBondContact O-N 2.93Å; D98-T102 WeakPolarHBondContact O-CB 3.2Å; D98-T102 PolarHBondContact O-N 3.48Å; D98-T102 PolarHBondContact O-OG1 3.47Å
99I91.4Very high90.9Very high12 Ų1268.9 Ų68.96%0.06235%0.351CS..Hα-helixtrans-61.3-51.6172.3-59.6172000109.7M50 F91 K94 K95 Q96 N101 T102 I103M50-I99 HydrophobicContact CE-CG2 4.3Å; M50-I99 HydrophobicContact SD-CG2 4.25Å; F91-I99 HydrophobicContact CB-CD1 3.87Å; F91-I99 HydrophobicContact CB-CG1 3.97Å; F91-I99 HydrophobicContact CD1-CB 4.11Å; F91-I99 HydrophobicContact CD1-CG1 3.76Å; F91-I99 HydrophobicContact CD1-CG2 3.75Å; F91-I99 HydrophobicContact CD2-CG2 4.41Å; F91-I99 HydrophobicContact CE1-CB 4.49Å; F91-I99 HydrophobicContact CE1-CG2 3.91Å; F91-I99 HydrophobicContact CG-CD1 4.37Å; F91-I99 HydrophobicContact CG-CG1 4.08Å; F91-I99 HydrophobicContact CG-CG2 4.01Å; F91-I99 HydrophobicContact CZ-CG2 4.33Å; K94-I99 HydrophobicContact CB-CG1 4.11Å; K95-I99 PolarHBondContact O-N 2.82Å; Q96-I99 PolarHBondContact O-N 3.46Å; I99-N101 VanDerWaalsContact C-N 3.34Å; I99-N101 PolarHBondContact O-N 3.49Å; I99-T102 PolarHBondContact O-N 2.84Å; I99-I103 HydrophobicContact CG2-CD1 3.89Å; I99-I103 WeakPolarHBondContact O-CG1 3.39Å; I99-I103 PolarHBondContact O-N 3.48Å; I99-I103 VanDerWaalsContact O-N 3.11Å
100Q92.8Very high91.1Very high54 Ų5462.3 Ų62.325%0.25232%0.321SS..Hα-helixtrans-58.4-45.2178.4-73.4174.6-17.200111.7M50 L52 Q96 R97 T102 I103 L104M50-Q100 HydrophobicContact SD-CG 4.27Å; L52-Q100 HydrophobicContact CD2-CB 3.68Å; L52-Q100 HydrophobicContact CD2-CG 3.73Å; Q96-Q100 VanDerWaalsContact O-CG 3.28Å; Q96-Q100 WeakPolarHBondContact O-CG 3.44Å; Q96-Q100 PolarHBondContact O-N 3.37Å; R97-Q100 PolarHBondContact O-N 2.77Å; Q100-T102 PolarHBondContact O-N 2.85Å; Q100-I103 PolarHBondContact O-N 3.34Å; Q100-L104 WeakPolarHBondContact O-CB 3.42Å; Q100-L104 PolarHBondContact O-N 2.9Å
101N93.6Very high91.4Very high85 Ų8558.5 Ų58.546%0.45530%0.303SS..Hα-helixtrans-62.7-41.3178.5-70.4-14.4000112.2R97 D98 I99 L104 Q105R97-N101 WeakPolarHBondContact O-CB 3.39Å; R97-N101 PolarHBondContact O-N 2.85Å; R97-N101 PolarHBondContact O-ND2 3.36Å; R97-N101 PolarHBondContact O-OD1 2.97Å; D98-N101 PolarHBondContact O-N 2.93Å; I99-N101 VanDerWaalsContact C-N 3.34Å; I99-N101 PolarHBondContact O-N 3.49Å; N101-L104 PolarHBondContact O-N 2.89Å; N101-Q105 WeakPolarHBondContact O-CG 3.48Å; N101-Q105 PolarHBondContact O-N 3.29Å
102T91.9Very high91.5Very high38 Ų3864.3 Ų64.323%0.23332%0.324CS..Hα-helixtrans-61.3-47.9177.9-54.40000110.8F91 D98 I99 Q100 T106 M145F91-T102 HydrophobicContact CE1-CG2 4.46Å; D98-T102 WeakPolarHBondContact O-CB 3.2Å; D98-T102 PolarHBondContact O-N 3.48Å; D98-T102 PolarHBondContact O-OG1 3.47Å; I99-T102 PolarHBondContact O-N 2.84Å; Q100-T102 PolarHBondContact O-N 2.85Å; T102-T106 PolarHBondContact O-N 2.81Å; T102-T106 PolarHBondContact O-OG1 3.39Å; T102-M145 HydrophobicContact CG2-SD 4.45Å
103I93.1Very high91.9Very high0 Ų064.7 Ų64.70%034%0.335CS..Hα-helixtrans-68.3-41.2179.8-57.8162.4000110.6M50 L52 V75 F91 I99 Q100 Q105 T106 M107 V142 M145 I147M50-I103 HydrophobicContact CE-CD1 3.92Å; L52-I103 HydrophobicContact CD1-CB 3.73Å; L52-I103 HydrophobicContact CD1-CG2 3.32Å; V75-I103 HydrophobicContact CG2-CD1 4.38Å; V75-I103 HydrophobicContact CG2-CG2 4.48Å; F91-I103 HydrophobicContact CZ-CD1 4.41Å; F91-I103 HydrophobicContact CZ-CG1 4.22Å; I99-I103 HydrophobicContact CG2-CD1 3.89Å; I99-I103 WeakPolarHBondContact O-CG1 3.39Å; I99-I103 PolarHBondContact O-N 3.48Å; I99-I103 VanDerWaalsContact O-N 3.11Å; Q100-I103 PolarHBondContact O-N 3.34Å; I103-Q105 VanDerWaalsContact C-N 3.33Å; I103-Q105 PolarHBondContact O-N 2.96Å; I103-T106 PolarHBondContact O-N 3.33Å; I103-M107 HydrophobicContact CG2-CG 4.4Å; I103-M107 WeakPolarHBondContact O-CG 3.12Å; I103-M107 PolarHBondContact O-N 3.26Å; I103-V142 HydrophobicContact CG2-CG1 4.43Å; I103-M145 HydrophobicContact CB-CE 4.37Å; I103-M145 HydrophobicContact CG1-CE 3.69Å; I103-I147 HydrophobicContact CD1-CD1 3.93Å; I103-I147 HydrophobicContact CD1-CG1 3.89Å; I103-I147 HydrophobicContact CD1-CG2 4.29Å; I103-I147 HydrophobicContact CG1-CG1 4.25Å
104L94.1Very high92.3Very high36 Ų3662.5 Ų62.519%0.18831%0.306CS..Hα-helixtrans-59.8-42.5179.3178.2149.4000111.5Q100 N101 T106 M107 E108Q100-L104 WeakPolarHBondContact O-CB 3.42Å; Q100-L104 PolarHBondContact O-N 2.9Å; N101-L104 PolarHBondContact O-N 2.89Å; L104-T106 VanDerWaalsContact C-N 3.35Å; L104-T106 PolarHBondContact O-N 3.43Å; L104-M107 PolarHBondContact O-N 3.4Å; L104-E108 HydrophobicContact CD2-CG 4.17Å; L104-E108 WeakPolarHBondContact CD2-OE1 3.41Å; L104-E108 WeakPolarHBondContact O-CB 3.45Å; L104-E108 WeakPolarHBondContact O-CG 3.17Å; L104-E108 PolarHBondContact O-N 3.47Å
105Q92.9Very high92.5Very high136 Ų13658.2 Ų58.264%0.63629%0.287SS*.Hα-helixtrans-59.9-42175.6-77179.2-19.600112.7N101 I103 E108 G109N101-Q105 WeakPolarHBondContact O-CG 3.48Å; N101-Q105 PolarHBondContact O-N 3.29Å; I103-Q105 VanDerWaalsContact C-N 3.33Å; I103-Q105 PolarHBondContact O-N 2.96Å; Q105-E108 PolarHBondContact O-N 2.81Å; Q105-G109 PolarHBondContact O-N 2.82Å
106T92.5Very high92.5Very high38 Ų3852.2 Ų52.223%0.23327%0.271CS..Hα-helixtrans-63.3-44.5175.4-54.10000111.1T102 I103 L104 G109 H110 D141 V142T102-T106 PolarHBondContact O-N 2.81Å; T102-T106 PolarHBondContact O-OG1 3.39Å; I103-T106 PolarHBondContact O-N 3.33Å; L104-T106 VanDerWaalsContact C-N 3.35Å; L104-T106 PolarHBondContact O-N 3.43Å; T106-G109 PolarHBondContact O-N 3.3Å; T106-H110 PolarHBondContact O-N 2.82Å; T106-H110 PolarHBondContact O-ND1 2.95Å; T106-D141 HydrophobicContact CG2-CB 4.22Å; T106-V142 HydrophobicContact CG2-CG1 4.13Å
107M92.4Very high92.7Very high0 Ų053.1 Ų53.10%028%0.282CS..Hα-helixtrans-65.5-39.9179-65.5-58.4-63.100112.3P54 I103 L104 H110 L111 V134 A138 V142 I149 F152P54-M107 HydrophobicContact CB-CB 4.24Å; I103-M107 HydrophobicContact CG2-CG 4.4Å; I103-M107 WeakPolarHBondContact O-CG 3.12Å; I103-M107 PolarHBondContact O-N 3.26Å; L104-M107 PolarHBondContact O-N 3.4Å; M107-H110 PolarHBondContact O-N 2.9Å; M107-L111 VanDerWaalsContact O-CB 3.3Å; M107-L111 WeakPolarHBondContact O-CB 3.4Å; M107-L111 PolarHBondContact O-N 3.4Å; M107-V134 HydrophobicContact CE-CG1 4.45Å; M107-A138 HydrophobicContact CE-CB 3.99Å; M107-A138 HydrophobicContact SD-CB 3.68Å; M107-V142 HydrophobicContact SD-CG1 4.04Å; M107-I149 HydrophobicContact CE-CD1 4.04Å; M107-I149 HydrophobicContact SD-CD1 3.99Å; M107-F152 HydrophobicContact CE-CD2 3.52Å; M107-F152 HydrophobicContact CE-CE2 3.68Å; M107-F152 HydrophobicContact CE-CG 4.46Å
108E93Very high92.7Very high40 Ų4045.7 Ų45.719%0.18726%0.257CS..Hα-helixtrans-66.2-38176-74.5179.8170.400112.4P54 V55 C56 L104 Q105 L111 R112P54-E108 HydrophobicContact CB-CG 3.75Å; V55-E108 PolarHBondContact N-OE1 2.82Å; V55-E108 VanDerWaalsContact O-CD 3.31Å; C56-E108 PolarHBondContact SG-O 3.37Å; C56-E108 VanDerWaalsContact SG-O 3.34Å; L104-E108 HydrophobicContact CD2-CG 4.17Å; L104-E108 WeakPolarHBondContact CD2-OE1 3.41Å; L104-E108 WeakPolarHBondContact O-CB 3.45Å; L104-E108 WeakPolarHBondContact O-CG 3.17Å; L104-E108 PolarHBondContact O-N 3.47Å; Q105-E108 PolarHBondContact O-N 2.81Å; E108-L111 PolarHBondContact O-N 3.24Å; E108-R112 VanDerWaalsContact O-CB 3.27Å; E108-R112 WeakPolarHBondContact O-CB 3.46Å; E108-R112 PolarHBondContact O-N 2.84Å
109G92.8Very high92.8Very high35 Ų3544.5 Ų44.536%0.36125%0.252SS..Hα-helixtrans-59.1-46.9174.200000112.1Q105 T106 R112 A113Q105-G109 PolarHBondContact O-N 2.82Å; T106-G109 PolarHBondContact O-N 3.3Å; G109-R112 PolarHBondContact O-N 3.24Å; G109-A113 WeakPolarHBondContact O-CB 3.45Å; G109-A113 PolarHBondContact O-N 3.45Å
110H92.9Very high92.7Very high28 Ų2844.1 Ų44.113%0.1325%0.251CS..Hα-helixtrans-66.5-45.5176.8-72.792.6000112.3T106 M107 R112 A113 I114 A138 D141T106-H110 PolarHBondContact O-N 2.82Å; T106-H110 PolarHBondContact O-ND1 2.95Å; M107-H110 PolarHBondContact O-N 2.9Å; H110-R112 VanDerWaalsContact C-N 3.3Å; H110-R112 PolarHBondContact O-N 3.47Å; H110-A113 PolarHBondContact O-N 3.36Å; H110-A113 VanDerWaalsContact O-N 3.16Å; H110-I114 WeakPolarHBondContact O-CG1 3.17Å; H110-I114 PolarHBondContact O-N 2.97Å; H110-A138 HydrophobicContact CB-CB 4.19Å; H110-D141 IonicContact CE1-OD2 2.67Å; H110-D141 PolarHBondContact CE1-OD2 2.92Å; H110-D141 IonicContact NE2-OD2 2.82Å; H110-D141 PolarHBondContact NE2-OD2 3.32Å
111L93.9Very high92.5Very high0 Ų045.1 Ų45.10%026%0.256CS..Hα-helixtrans-56.9-46.4177-175.364.6000110.8P54 C56 V69 M107 E108 A113 I114 L115 F130 V134 F152 I154P54-L111 HydrophobicContact CB-CD2 4.5Å; C56-L111 HydrophobicContact CB-CD2 4.07Å; C56-L111 HydrophobicContact CB-CG 4.35Å; V69-L111 HydrophobicContact CG1-CD1 4.42Å; V69-L111 HydrophobicContact CG1-CD2 4.39Å; M107-L111 VanDerWaalsContact O-CB 3.3Å; M107-L111 WeakPolarHBondContact O-CB 3.4Å; M107-L111 PolarHBondContact O-N 3.4Å; E108-L111 PolarHBondContact O-N 3.24Å; L111-A113 PolarHBondContact O-N 3.37Å; L111-I114 PolarHBondContact O-N 2.87Å; L111-L115 HydrophobicContact CG-CD1 4.19Å; L111-L115 WeakPolarHBondContact O-CB 3.29Å; L111-L115 VanDerWaalsContact O-CG 3.23Å; L111-L115 WeakPolarHBondContact O-CG 3.36Å; L111-L115 PolarHBondContact O-N 3.41Å; L111-F130 HydrophobicContact CD1-CE1 3.95Å; L111-F130 HydrophobicContact CD1-CE2 4.41Å; L111-F130 HydrophobicContact CD1-CZ 3.48Å; L111-F130 VanDerWaalsContact CD1-CZ 3.48Å; L111-V134 HydrophobicContact CD1-CG1 4.47Å; L111-V134 HydrophobicContact CD1-CG2 3.91Å; L111-F152 HydrophobicContact CD1-CZ 4.18Å; L111-I154 HydrophobicContact CD1-CD1 4.31Å
112R93.2Very high92.4Very high126 Ų12642.8 Ų42.848%0.47525%0.248SC..Hα-helixtrans-60.6-43.7175.8-178.2179.7-64.1123.73.1112.4V59 E108 G109 H110 L115 G116V59-R112 HydrophobicContact CG1-CG 4.07Å; V59-R112 HydrophobicContact CG2-CB 4.47Å; V59-R112 HydrophobicContact CG2-CG 3.92Å; E108-R112 VanDerWaalsContact O-CB 3.27Å; E108-R112 WeakPolarHBondContact O-CB 3.46Å; E108-R112 PolarHBondContact O-N 2.84Å; G109-R112 PolarHBondContact O-N 3.24Å; H110-R112 VanDerWaalsContact C-N 3.3Å; H110-R112 PolarHBondContact O-N 3.47Å; R112-L115 PolarHBondContact O-N 2.9Å; R112-G116 PolarHBondContact O-N 2.74Å
113A92.9Very high92.3Very high60 Ų6041 Ų4150%0.49624%0.237SC..Hα-helixtrans-62.9-45-179.500000111.9G109 H110 L111 G116G109-A113 WeakPolarHBondContact O-CB 3.45Å; G109-A113 PolarHBondContact O-N 3.45Å; H110-A113 PolarHBondContact O-N 3.36Å; H110-A113 VanDerWaalsContact O-N 3.16Å; L111-A113 PolarHBondContact O-N 3.37Å; A113-G116 PolarHBondContact O-N 2.92Å
114I93.6Very high92.1Very high25 Ų2546.8 Ų46.813%0.12826%0.26CS..Hα-helixtrans-69.7-38179.7-56.1-57.5000111.3H110 L111 G116 T117 L118 F130 V134 V137H110-I114 WeakPolarHBondContact O-CG1 3.17Å; H110-I114 PolarHBondContact O-N 2.97Å; L111-I114 PolarHBondContact O-N 2.87Å; I114-G116 PolarHBondContact O-N 3.23Å; I114-T117 PolarHBondContact O-N 3.49Å; I114-T117 PolarHBondContact O-OG1 3.33Å; I114-L118 HydrophobicContact CG2-CD1 3.93Å; I114-L118 HydrophobicContact CG2-CG 4.41Å; I114-L118 PolarHBondContact O-N 3.39Å; I114-F130 HydrophobicContact CB-CE2 4.05Å; I114-F130 HydrophobicContact CG2-CD2 3.79Å; I114-F130 HydrophobicContact CG2-CE2 3.58Å; I114-V134 HydrophobicContact CB-CG2 4.23Å; I114-V134 HydrophobicContact CG1-CG2 4.2Å; I114-V134 HydrophobicContact CG2-CG2 4.43Å; I114-V137 HydrophobicContact CD1-CG2 4.05Å
115L93Very high91.7Very high1 Ų153.3 Ų53.31%0.00528%0.282CS..Hα-helixtrans-57.1-37.1177.1-76.9170.7000113.1C56 V59 V69 L111 R112 T117 I123 F130C56-L115 HydrophobicContact CB-CD1 3.96Å; V59-L115 HydrophobicContact CB-CB 4.45Å; V59-L115 HydrophobicContact CB-CD1 4.3Å; V59-L115 HydrophobicContact CG1-CB 3.85Å; V59-L115 HydrophobicContact CG1-CD1 4.49Å; V59-L115 HydrophobicContact CG2-CD1 4.42Å; V69-L115 HydrophobicContact CB-CD1 3.96Å; V69-L115 HydrophobicContact CB-CD2 4.43Å; V69-L115 HydrophobicContact CG2-CD1 3.85Å; V69-L115 HydrophobicContact CG2-CD2 3.67Å; V69-L115 HydrophobicContact CG2-CG 4.43Å; L111-L115 HydrophobicContact CG-CD1 4.19Å; L111-L115 WeakPolarHBondContact O-CB 3.29Å; L111-L115 VanDerWaalsContact O-CG 3.23Å; L111-L115 WeakPolarHBondContact O-CG 3.36Å; L111-L115 PolarHBondContact O-N 3.41Å; R112-L115 PolarHBondContact O-N 2.9Å; L115-T117 PolarHBondContact O-N 3.05Å; L115-I123 HydrophobicContact CD2-CD1 3.72Å; L115-I123 HydrophobicContact CD2-CG1 4.43Å; L115-F130 HydrophobicContact CD2-CE1 4.09Å; L115-F130 HydrophobicContact CD2-CE2 4.04Å; L115-F130 HydrophobicContact CD2-CZ 3.44Å; L115-F130 VanDerWaalsContact CD2-CZ 3.44Å; L115-F130 HydrophobicContact CG-CE2 4.31Å; L115-F130 HydrophobicContact CG-CZ 3.8Å
116G91.4Very high91.6Very high35 Ų3551 Ų5136%0.36127%0.274SS..THydrogen-bonded Turntrans-69.4-16.5177.400000114.6E60 R112 A113 I114E60-G116 WeakPolarHBondContact O-CA 3.26Å; R112-G116 PolarHBondContact O-N 2.74Å; A113-G116 PolarHBondContact O-N 2.92Å; I114-G116 PolarHBondContact O-N 3.23Å
117T92.1Very high91.5Very high97 Ų9753.5 Ų53.560%0.59528%0.279SS*.THydrogen-bonded Turntrans-96.1-18.6-177.664.80000114.1I114 L115I114-T117 PolarHBondContact O-N 3.49Å; I114-T117 PolarHBondContact O-OG1 3.33Å; L115-T117 PolarHBondContact O-N 3.05Å
118L91.9Very high91.5Very high40 Ų4060 Ų6021%0.20931%0.313CS..SBendtrans-105.6151.4-173.9-65.9177.9000111.8T61 S62 I114 I123 F130T61-L118 WeakPolarHBondContact CB-O 3.14Å; S62-L118 PolarHBondContact N-O 3.45Å; S62-L118 PolarHBondContact OG-O 3.03Å; I114-L118 HydrophobicContact CG2-CD1 3.93Å; I114-L118 HydrophobicContact CG2-CG 4.41Å; I114-L118 PolarHBondContact O-N 3.39Å; L118-I123 HydrophobicContact CB-CD1 4.02Å; L118-I123 HydrophobicContact CB-CG1 3.85Å; L118-I123 HydrophobicContact CD1-CG1 4.25Å; L118-F130 HydrophobicContact CD1-CB 4.49Å; L118-F130 HydrophobicContact CD1-CD2 3.54Å; L118-F130 HydrophobicContact CD1-CE2 4.2Å; L118-F130 HydrophobicContact CD1-CG 4.34Å
119T92.5Very high91.5Very high48 Ų4864 Ų6429%0.29433%0.332SS..  trans-75.4153.3171.566.60000110.4S62 E63 E121 A122 I123S62-T119 WeakPolarHBondContact OG-CA 3.36Å; S62-T119 WeakPolarHBondContact OG-CG2 3.21Å; S62-T119 PolarHBondContact OG-N 2.72Å; E63-T119 HydrophobicContact CG-CG2 4.3Å; T119-E121 PolarHBondContact O-N 2.99Å; T119-A122 PolarHBondContact O-N 3.31Å; T119-A122 WeakPolarHBondContact OG1-CB 3.34Å; T119-A122 PolarHBondContact OG1-N 2.98Å; T119-I123 WeakPolarHBondContact O-CG1 3.31Å; T119-I123 PolarHBondContact O-N 2.86Å
120V90.9Very high91.5Very high4 Ų462.4 Ų62.42%0.02432%0.316CS..Hα-helixtrans-55.6-38.9176.5-1780000111.6T61 V65 L67 I123 Y124 Y163 L164T61-V120 HydrophobicContact CG2-CG2 4Å; T61-V120 WeakPolarHBondContact OG1-CG2 3.17Å; V65-V120 HydrophobicContact CB-CG2 3.63Å; V65-V120 HydrophobicContact CG1-CG2 4.06Å; V65-V120 HydrophobicContact CG2-CG2 3.97Å; L67-V120 HydrophobicContact CD1-CB 4.46Å; L67-V120 HydrophobicContact CD1-CG1 4.14Å; L67-V120 HydrophobicContact CD1-CG2 4.18Å; L67-V120 HydrophobicContact CD2-CG1 4.3Å; V120-I123 PolarHBondContact O-N 2.73Å; V120-Y124 WeakPolarHBondContact O-CB 3.28Å; V120-Y124 PolarHBondContact O-N 2.71Å; V120-Y163 HydrophobicContact CB-CE1 4.15Å; V120-Y163 HydrophobicContact CG1-CD1 4Å; V120-Y163 HydrophobicContact CG1-CE1 3.96Å; V120-Y163 HydrophobicContact CG2-CE1 4.37Å; V120-L164 HydrophobicContact CG1-CD2 3.55Å
121E88.4Confident91.5Very high76 Ų7661.2 Ų61.236%0.35531%0.31SS..Hα-helixtrans-66.9-42.4-178.9-59.5-174.5156.100112.4T119 Y124 R125 L167T119-E121 PolarHBondContact O-N 2.99Å; E121-Y124 PolarHBondContact O-N 2.95Å; E121-R125 WeakPolarHBondContact O-CB 3.26Å; E121-R125 WeakPolarHBondContact O-CG 3.39Å; E121-R125 PolarHBondContact O-N 2.82Å; E121-L167 HydrophobicContact CG-CD2 4.43Å
122A90.6Very high91.4Very high36 Ų3663.1 Ų63.130%0.29833%0.326SS..Hα-helixtrans-63.7-42.9177.800000111.1T119 Y124 D126T119-A122 PolarHBondContact O-N 3.31Å; T119-A122 WeakPolarHBondContact OG1-CB 3.34Å; T119-A122 PolarHBondContact OG1-N 2.98Å; A122-Y124 VanDerWaalsContact C-N 3.29Å; A122-Y124 PolarHBondContact O-N 2.83Å; A122-D126 PolarHBondContact O-N 2.87Å
123I91.1Very high91.4Very high1 Ų160 Ų601%0.00532%0.318CS..Hα-helixtrans-62.8-38.3176.7-62.7161.2000110.9T61 L67 L115 L118 T119 V120 R127 F130 V157T61-I123 HydrophobicContact CG2-CD1 3.81Å; L67-I123 HydrophobicContact CD1-CD1 4.05Å; L115-I123 HydrophobicContact CD2-CD1 3.72Å; L115-I123 HydrophobicContact CD2-CG1 4.43Å; L118-I123 HydrophobicContact CB-CD1 4.02Å; L118-I123 HydrophobicContact CB-CG1 3.85Å; L118-I123 HydrophobicContact CD1-CG1 4.25Å; T119-I123 WeakPolarHBondContact O-CG1 3.31Å; T119-I123 PolarHBondContact O-N 2.86Å; V120-I123 PolarHBondContact O-N 2.73Å; I123-R127 WeakPolarHBondContact O-CG 3.27Å; I123-F130 HydrophobicContact CG2-CD1 4.27Å; I123-F130 HydrophobicContact CG2-CE1 4.39Å; I123-V157 HydrophobicContact CG2-CG1 4.29Å; I123-V157 HydrophobicContact CG2-CG2 4.23Å
124Y88Confident91.4Very high120 Ų12057.1 Ų57.147%0.47130%0.295SS..Hα-helixtrans-76.7-41.3-177.8-170.3-95.9000113.2V120 E121 A122 L164V120-Y124 WeakPolarHBondContact O-CB 3.28Å; V120-Y124 PolarHBondContact O-N 2.71Å; E121-Y124 PolarHBondContact O-N 2.95Å; A122-Y124 VanDerWaalsContact C-N 3.29Å; A122-Y124 PolarHBondContact O-N 2.83Å; Y124-L164 HydrophobicContact CD2-CD2 4.11Å
125R86.8Confident91.4Very high174 Ų17459.9 Ų59.966%0.65730%0.304SS*.Hα-helixtrans-73.5-49.4-178.9-70.3-178.3-171.9178.78.3112E121E121-R125 WeakPolarHBondContact O-CB 3.26Å; E121-R125 WeakPolarHBondContact O-CG 3.39Å; E121-R125 PolarHBondContact O-N 2.82Å
126D89.9Confident91.4Very high87 Ų8766.7 Ų66.747%0.46534%0.335SS..  trans-118.267.8-168.3-63.8-49.6000111.9A122 D128 Q129 F130A122-D126 PolarHBondContact O-N 2.87Å; D126-D128 VanDerWaalsContact C-N 3.29Å; D126-D128 PolarHBondContact O-N 2.99Å; D126-Q129 HydrophobicContact CB-CB 4.05Å; D126-Q129 PolarHBondContact O-N 2.91Å; D126-F130 PolarHBondContact O-N 2.78Å; D126-F130 VanDerWaalsContact O-N 3.12Å
127R91.2Very high91.5Very high90 Ų9068.1 Ų68.134%0.3434%0.337SS..Hα-helixtrans-61.1-35.6-179-64.6-176.4-176.6-168.3-0113.2I123 A131I123-R127 WeakPolarHBondContact O-CG 3.27Å; R127-A131 WeakPolarHBondContact O-CB 3.4Å; R127-A131 PolarHBondContact O-N 2.86Å
128D92.3Very high91.6Very high136 Ų13663.5 Ų63.573%0.72731%0.309SS*.Hα-helixtrans-72.5-37.3-178.8-68.4-36.8000112.2D126 A131 A132D126-D128 VanDerWaalsContact C-N 3.29Å; D126-D128 PolarHBondContact O-N 2.99Å; D128-A131 PolarHBondContact O-N 3.2Å; D128-A132 WeakPolarHBondContact O-CB 3.31Å; D128-A132 PolarHBondContact O-N 2.8Å
129Q91.9Very high91.7Very high124 Ų12463.7 Ų63.758%0.57932%0.316SS*.Hα-helixtrans-65.3-45.5174.6-173.7-179.816.800110.2D126 A131 A132 L133D126-Q129 HydrophobicContact CB-CB 4.05Å; D126-Q129 PolarHBondContact O-N 2.91Å; Q129-A131 VanDerWaalsContact C-N 3.33Å; Q129-A131 PolarHBondContact O-N 3.3Å; Q129-A132 PolarHBondContact O-N 2.83Å; Q129-L133 HydrophobicContact CG-CD1 4.49Å; Q129-L133 WeakPolarHBondContact O-CG 3.34Å; Q129-L133 PolarHBondContact O-N 2.93Å
130F92.1Very high91.7Very high3 Ų364.6 Ų64.61%0.01332%0.322CS..Hα-helixtrans-59-44174172.7-124.3000111.9V69 L111 I114 L115 L118 I123 D126 A132 L133 V134 I154V69-F130 HydrophobicContact CG1-CE1 4.2Å; L111-F130 HydrophobicContact CD1-CE1 3.95Å; L111-F130 HydrophobicContact CD1-CE2 4.41Å; L111-F130 HydrophobicContact CD1-CZ 3.48Å; L111-F130 VanDerWaalsContact CD1-CZ 3.48Å; I114-F130 HydrophobicContact CB-CE2 4.05Å; I114-F130 HydrophobicContact CG2-CD2 3.79Å; I114-F130 HydrophobicContact CG2-CE2 3.58Å; L115-F130 HydrophobicContact CD2-CE1 4.09Å; L115-F130 HydrophobicContact CD2-CE2 4.04Å; L115-F130 HydrophobicContact CD2-CZ 3.44Å; L115-F130 VanDerWaalsContact CD2-CZ 3.44Å; L115-F130 HydrophobicContact CG-CE2 4.31Å; L115-F130 HydrophobicContact CG-CZ 3.8Å; L118-F130 HydrophobicContact CD1-CB 4.49Å; L118-F130 HydrophobicContact CD1-CD2 3.54Å; L118-F130 HydrophobicContact CD1-CE2 4.2Å; L118-F130 HydrophobicContact CD1-CG 4.34Å; I123-F130 HydrophobicContact CG2-CD1 4.27Å; I123-F130 HydrophobicContact CG2-CE1 4.39Å; D126-F130 PolarHBondContact O-N 2.78Å; D126-F130 VanDerWaalsContact O-N 3.12Å; F130-A132 VanDerWaalsContact C-N 3.34Å; F130-A132 PolarHBondContact O-N 3.37Å; F130-L133 PolarHBondContact O-N 3.43Å; F130-V134 HydrophobicContact CD2-CG2 4.23Å; F130-V134 HydrophobicContact CE2-CG2 3.83Å; F130-V134 HydrophobicContact CZ-CG2 4.13Å; F130-V134 WeakPolarHBondContact O-CG2 3.4Å; F130-V134 PolarHBondContact O-N 3.16Å; F130-V134 VanDerWaalsContact O-N 3.08Å; F130-I154 HydrophobicContact CD1-CD1 3.77Å; F130-I154 HydrophobicContact CD1-CG1 3.72Å; F130-I154 HydrophobicContact CE1-CD1 3.48Å; F130-I154 VanDerWaalsContact CE1-CD1 3.48Å; F130-I154 HydrophobicContact CE1-CG1 3.94Å; F130-I154 HydrophobicContact CZ-CD1 4.49Å
131A93.4Very high91.8Very high2 Ų266.9 Ų66.92%0.01734%0.335CS..Hα-helixtrans-62.4-37.7175.200000113.2R127 D128 Q129 R135 F152 I154R127-A131 WeakPolarHBondContact O-CB 3.4Å; R127-A131 PolarHBondContact O-N 2.86Å; D128-A131 PolarHBondContact O-N 3.2Å; Q129-A131 VanDerWaalsContact C-N 3.33Å; Q129-A131 PolarHBondContact O-N 3.3Å; A131-R135 WeakPolarHBondContact O-CB 3.18Å; A131-R135 PolarHBondContact O-N 2.81Å; A131-R135 VanDerWaalsContact O-N 3.09Å; A131-F152 HydrophobicContact CB-CD1 3.92Å; A131-F152 HydrophobicContact CB-CE1 4.38Å; A131-F152 WeakPolarHBondContact O-CD1 3.4Å; A131-I154 HydrophobicContact CB-CG1 4.28Å
132A93.3Very high92Very high40 Ų4063.3 Ų63.333%0.33132%0.318SS..Hα-helixtrans-66.5-43.3176.700000111.9D128 Q129 F130 R135 E136D128-A132 WeakPolarHBondContact O-CB 3.31Å; D128-A132 PolarHBondContact O-N 2.8Å; Q129-A132 PolarHBondContact O-N 2.83Å; F130-A132 VanDerWaalsContact C-N 3.34Å; F130-A132 PolarHBondContact O-N 3.37Å; A132-R135 WeakPolarHBondContact O-CB 3.4Å; A132-R135 PolarHBondContact O-N 3.07Å; A132-E136 PolarHBondContact O-N 2.86Å
133L92.7Very high92.1Very high60 Ų6062.4 Ų62.431%0.31431%0.312SS..Hα-helixtrans-60.7-46.3175.9-70.4169.9000111.5Q129 F130 R135 E136 V137Q129-L133 HydrophobicContact CG-CD1 4.49Å; Q129-L133 WeakPolarHBondContact O-CG 3.34Å; Q129-L133 PolarHBondContact O-N 2.93Å; F130-L133 PolarHBondContact O-N 3.43Å; L133-R135 VanDerWaalsContact C-N 3.27Å; L133-R135 PolarHBondContact O-N 2.84Å; L133-E136 PolarHBondContact O-N 2.83Å; L133-V137 WeakPolarHBondContact O-CG2 3.45Å; L133-V137 PolarHBondContact O-N 3.37Å
134V92.6Very high92.2Very high0 Ų070.8 Ų70.80%034%0.344CS..Hα-helixtrans-60.4-40176.8175.60000110.9M107 L111 I114 F130 A138 F152M107-V134 HydrophobicContact CE-CG1 4.45Å; L111-V134 HydrophobicContact CD1-CG1 4.47Å; L111-V134 HydrophobicContact CD1-CG2 3.91Å; I114-V134 HydrophobicContact CB-CG2 4.23Å; I114-V134 HydrophobicContact CG1-CG2 4.2Å; I114-V134 HydrophobicContact CG2-CG2 4.43Å; F130-V134 HydrophobicContact CD2-CG2 4.23Å; F130-V134 HydrophobicContact CE2-CG2 3.83Å; F130-V134 HydrophobicContact CZ-CG2 4.13Å; F130-V134 WeakPolarHBondContact O-CG2 3.4Å; F130-V134 PolarHBondContact O-N 3.16Å; F130-V134 VanDerWaalsContact O-N 3.08Å; V134-A138 WeakPolarHBondContact O-CB 3.39Å; V134-A138 PolarHBondContact O-N 3Å; V134-F152 HydrophobicContact CB-CD1 4.19Å; V134-F152 HydrophobicContact CB-CE1 3.78Å; V134-F152 HydrophobicContact CB-CZ 4.24Å; V134-F152 HydrophobicContact CG1-CD1 4.2Å; V134-F152 HydrophobicContact CG1-CE1 3.67Å; V134-F152 HydrophobicContact CG1-CE2 4.07Å; V134-F152 HydrophobicContact CG1-CZ 3.61Å; V134-F152 HydrophobicContact CG2-CE1 4.29Å
135R93.1Very high92.3Very high84 Ų8466.4 Ų66.432%0.31733%0.328SS..Hα-helixtrans-64.4-44.8176.3-170.2-175-51.9114.65112A131 A132 L133 A138 A139 I149 F152A131-R135 WeakPolarHBondContact O-CB 3.18Å; A131-R135 PolarHBondContact O-N 2.81Å; A131-R135 VanDerWaalsContact O-N 3.09Å; A132-R135 WeakPolarHBondContact O-CB 3.4Å; A132-R135 PolarHBondContact O-N 3.07Å; L133-R135 VanDerWaalsContact C-N 3.27Å; L133-R135 PolarHBondContact O-N 2.84Å; R135-A138 PolarHBondContact O-N 2.89Å; R135-A139 WeakPolarHBondContact O-CB 3.29Å; R135-A139 PolarHBondContact O-N 3.36Å; R135-I149 HydrophobicContact CG-CB 4.46Å; R135-I149 HydrophobicContact CG-CD1 4.43Å; R135-I149 HydrophobicContact CG-CG2 4.16Å; R135-F152 HydrophobicContact CB-CB 4.47Å; R135-F152 PolarHBondContact NH2-O 3.24Å
136E93.4Very high92.6Very high144 Ų14458.1 Ų58.167%0.67330%0.296SS*.Hα-helixtrans-62.6-43.9-178.6-173.8178.6177.300111.8A132 L133 P140A132-E136 PolarHBondContact O-N 2.86Å; L133-E136 PolarHBondContact O-N 2.83Å; E136-P140 WeakPolarHBondContact O-CD 3.38Å
137V93.5Very high92.8Very high65 Ų6554 Ų5439%0.39427%0.274SS..Hα-helixtrans-75.6-37-179.6-1720000111.5I114 L133 P140I114-V137 HydrophobicContact CD1-CG2 4.05Å; L133-V137 WeakPolarHBondContact O-CG2 3.45Å; L133-V137 PolarHBondContact O-N 3.37Å; V137-P140 WeakPolarHBondContact O-CD 3.21Å; V137-P140 WeakPolarHBondContact O-CG 3.32Å
138A93.7Very high92.9Very high0 Ų054.3 Ų54.30%028%0.279CS..Hα-helixtrans-78.2-29.8-179.500000113.8M107 H110 V134 R135 D141 V142 I149M107-A138 HydrophobicContact CE-CB 3.99Å; M107-A138 HydrophobicContact SD-CB 3.68Å; H110-A138 HydrophobicContact CB-CB 4.19Å; V134-A138 WeakPolarHBondContact O-CB 3.39Å; V134-A138 PolarHBondContact O-N 3Å; R135-A138 PolarHBondContact O-N 2.89Å; A138-D141 PolarHBondContact O-N 3.22Å; A138-D141 VanDerWaalsContact O-N 3.13Å; A138-V142 WeakPolarHBondContact O-CG2 3.27Å; A138-V142 PolarHBondContact O-N 2.84Å; A138-I149 HydrophobicContact CB-CD1 4Å
139A93.6Very high93Very high43 Ų4348.8 Ų48.836%0.35525%0.25SC..Hα-helixtrans-50.4-49.3-177.900000114.8R135 D141 G143R135-A139 WeakPolarHBondContact O-CB 3.29Å; R135-A139 PolarHBondContact O-N 3.36Å; A139-D141 VanDerWaalsContact C-N 3.31Å; A139-D141 PolarHBondContact O-N 2.92Å; A139-G143 WeakPolarHBondContact O-CA 3.2Å; A139-G143 PolarHBondContact O-N 3.28Å
140P93.4Very high93.1Very high67 Ų6746.5 Ų46.544%0.43524%0.241SC..Hα-helixtrans-63.7-36.1178.923.8-34.6000112.8E136 V137 R144E136-P140 WeakPolarHBondContact O-CD 3.38Å; V137-P140 WeakPolarHBondContact O-CD 3.21Å; V137-P140 WeakPolarHBondContact O-CG 3.32Å; P140-R144 WeakPolarHBondContact O-CG 3.48Å; P140-R144 PolarHBondContact O-N 3.42Å; P140-R144 VanDerWaalsContact O-N 3.13Å
141D92.8Very high93.2Very high53 Ų5348.3 Ų48.328%0.28325%0.254SS..Hα-helixtrans-74.7-45.4-175.9-83.36.6000112.2T106 H110 A138 A139 G143 R144T106-D141 HydrophobicContact CG2-CB 4.22Å; H110-D141 IonicContact CE1-OD2 2.67Å; H110-D141 PolarHBondContact CE1-OD2 2.92Å; H110-D141 IonicContact NE2-OD2 2.82Å; H110-D141 PolarHBondContact NE2-OD2 3.32Å; A138-D141 PolarHBondContact O-N 3.22Å; A138-D141 VanDerWaalsContact O-N 3.13Å; A139-D141 VanDerWaalsContact C-N 3.31Å; A139-D141 PolarHBondContact O-N 2.92Å; D141-G143 VanDerWaalsContact C-N 3.29Å; D141-R144 PolarHBondContact O-N 2.89Å; D141-R144 IonicContact OD1-CZ 3.28Å; D141-R144 VanDerWaalsContact OD1-CZ 3.28Å; D141-R144 IonicContact OD1-NH1 3.65Å; D141-R144 PolarHBondContact OD1-NH1 2.95Å; D141-R144 IonicContact OD1-NH2 3.23Å; D141-R144 PolarHBondContact OD1-NH2 3.02Å
142V92.7Very high93.2Very high1 Ų148.2 Ų48.21%0.00625%0.254CS..Hα-helixtrans-70.9-29.3173.4-57.70000111.8I103 T106 M107 A138 R144 M145 G146 I147 I149I103-V142 HydrophobicContact CG2-CG1 4.43Å; T106-V142 HydrophobicContact CG2-CG1 4.13Å; M107-V142 HydrophobicContact SD-CG1 4.04Å; A138-V142 WeakPolarHBondContact O-CG2 3.27Å; A138-V142 PolarHBondContact O-N 2.84Å; V142-R144 VanDerWaalsContact C-N 3.35Å; V142-R144 PolarHBondContact O-N 3.47Å; V142-M145 WeakPolarHBondContact O-CB 3.2Å; V142-M145 PolarHBondContact O-N 3.42Å; V142-G146 PolarHBondContact O-N 2.92Å; V142-I147 CarbonylContact C-O 3.47Å; V142-I147 HydrophobicContact CB-CB 4.21Å; V142-I147 HydrophobicContact CB-CG2 4.44Å; V142-I147 PolarHBondContact O-N 2.89Å; V142-I149 HydrophobicContact CG2-CD1 3.72Å; V142-I149 HydrophobicContact CG2-CG1 3.61Å
143G93.1Very high93.3Very high16 Ų1649.4 Ų49.417%0.16526%0.257CS..Hα-helixtrans-61.5-39.2174.700000112.8M78 A139 D141 M145 G146 I147M78-G143 WeakPolarHBondContact CE-O 3.38Å; A139-G143 WeakPolarHBondContact O-CA 3.2Å; A139-G143 PolarHBondContact O-N 3.28Å; D141-G143 VanDerWaalsContact C-N 3.29Å; G143-M145 PolarHBondContact O-N 3.43Å; G143-G146 PolarHBondContact O-N 2.88Å; G143-I147 WeakPolarHBondContact CA-O 3.49Å; G143-I147 PolarHBondContact N-O 3.49Å
144R91.9Very high93.4Very high178 Ų17847.7 Ų47.767%0.67225%0.247SC*.Hα-helixtrans-62.4-24.4173.5-71.1-177-147.1119.310.6113.3P140 D141 V142 G146P140-R144 WeakPolarHBondContact O-CG 3.48Å; P140-R144 PolarHBondContact O-N 3.42Å; P140-R144 VanDerWaalsContact O-N 3.13Å; D141-R144 PolarHBondContact O-N 2.89Å; D141-R144 IonicContact OD1-CZ 3.28Å; D141-R144 VanDerWaalsContact OD1-CZ 3.28Å; D141-R144 IonicContact OD1-NH1 3.65Å; D141-R144 PolarHBondContact OD1-NH1 2.95Å; D141-R144 IonicContact OD1-NH2 3.23Å; D141-R144 PolarHBondContact OD1-NH2 3.02Å; V142-R144 VanDerWaalsContact C-N 3.35Å; V142-R144 PolarHBondContact O-N 3.47Å; R144-G146 VanDerWaalsContact C-N 3.3Å
145M91.1Very high93.4Very high28 Ų2853.6 Ų53.614%0.13827%0.273CS..THydrogen-bonded Turntrans-86.81.7173.7-49.9-161-5500113.3A87 F91 T102 I103 V142 G143 I147A87-M145 WeakPolarHBondContact CA-O 3.26Å; A87-M145 WeakPolarHBondContact CB-O 3.36Å; F91-M145 HydrophobicContact CE2-CB 4.31Å; F91-M145 HydrophobicContact CZ-CB 4.23Å; F91-M145 HydrophobicContact CZ-CE 3.99Å; F91-M145 HydrophobicContact CZ-SD 4.32Å; T102-M145 HydrophobicContact CG2-SD 4.45Å; I103-M145 HydrophobicContact CB-CE 4.37Å; I103-M145 HydrophobicContact CG1-CE 3.69Å; V142-M145 WeakPolarHBondContact O-CB 3.2Å; V142-M145 PolarHBondContact O-N 3.42Å; G143-M145 PolarHBondContact O-N 3.43Å; M145-I147 HydrophobicContact CB-CG1 4.32Å; M145-I147 HydrophobicContact CE-CG1 4.43Å
146G92.3Very high93.4Very high0 Ų053.5 Ų53.50%028%0.279CS..THydrogen-bonded Turntrans76.922.1-175.300000114.5M78 L83 V142 G143 R144M78-G146 PolarHBondContact N-O 3.2Å; L83-G146 WeakPolarHBondContact O-CA 3.36Å; V142-G146 PolarHBondContact O-N 2.92Å; G143-G146 PolarHBondContact O-N 2.88Å; R144-G146 VanDerWaalsContact C-N 3.3Å
147I93.9Very high93.3Very high1 Ų147.4 Ų47.41%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-108.6134.2178.9-57.1-61.3000110.3M50 V75 V77 F91 I103 V142 G143 M145M50-I147 HydrophobicContact CE-CD1 4.34Å; V75-I147 HydrophobicContact CB-CG2 3.75Å; V75-I147 HydrophobicContact CG1-CG2 4.3Å; V75-I147 HydrophobicContact CG2-CG2 4.25Å; V77-I147 HydrophobicContact CB-CD1 4.47Å; V77-I147 HydrophobicContact CG2-CD1 3.83Å; F91-I147 HydrophobicContact CD2-CD1 4.38Å; F91-I147 HydrophobicContact CE2-CD1 3.68Å; F91-I147 HydrophobicContact CE2-CG1 3.8Å; F91-I147 HydrophobicContact CZ-CD1 4.38Å; F91-I147 HydrophobicContact CZ-CG1 4.19Å; I103-I147 HydrophobicContact CD1-CD1 3.93Å; I103-I147 HydrophobicContact CD1-CG1 3.89Å; I103-I147 HydrophobicContact CD1-CG2 4.29Å; I103-I147 HydrophobicContact CG1-CG1 4.25Å; V142-I147 CarbonylContact C-O 3.47Å; V142-I147 HydrophobicContact CB-CB 4.21Å; V142-I147 HydrophobicContact CB-CG2 4.44Å; V142-I147 PolarHBondContact O-N 2.89Å; G143-I147 WeakPolarHBondContact CA-O 3.49Å; G143-I147 PolarHBondContact N-O 3.49Å; M145-I147 HydrophobicContact CB-CG1 4.32Å; M145-I147 HydrophobicContact CE-CG1 4.43Å
148E93.8Very high93.2Very high95 Ų9549.5 Ų49.544%0.44425%0.253SS..EExtended strand (participates in β ladder)trans-104.6136172.6179.7177.9-163.800110.2V75 K76 M78 L150V75-E148 CarbonylContact C-O 3.6Å; V75-E148 VanDerWaalsContact CA-O 3.26Å; V75-E148 WeakPolarHBondContact CA-O 3.49Å; K76-E148 PolarHBondContact N-O 2.98Å; K76-E148 PolarHBondContact O-N 2.99Å; M78-E148 HydrophobicContact CG-CB 3.56Å; M78-E148 HydrophobicContact SD-CB 4.13Å; E148-L150 HydrophobicContact CG-CD2 4.35Å
149I95.2Very high93.1Very high20 Ų2050.8 Ų50.810%0.10326%0.26CS..EExtended strand (participates in β ladder)trans-87.4108.5171.2-53171.7000107.6V75 M107 R135 A138 V142 F152V75-I149 HydrophobicContact CG1-CG1 4.39Å; M107-I149 HydrophobicContact CE-CD1 4.04Å; M107-I149 HydrophobicContact SD-CD1 3.99Å; R135-I149 HydrophobicContact CG-CB 4.46Å; R135-I149 HydrophobicContact CG-CD1 4.43Å; R135-I149 HydrophobicContact CG-CG2 4.16Å; A138-I149 HydrophobicContact CB-CD1 4Å; V142-I149 HydrophobicContact CG2-CD1 3.72Å; V142-I149 HydrophobicContact CG2-CG1 3.61Å; I149-F152 HydrophobicContact CG2-CB 4.24Å
150L93.6Very high92.8Very high76 Ų7656.6 Ų56.640%0.39827%0.273SS..EExtended strand (participates in β ladder)trans-75.4-43.2175.8-61.1178.5000111V49 Q74 K76 E148V49-L150 HydrophobicContact CG1-CD1 4.13Å; V49-L150 HydrophobicContact CG2-CD1 3.69Å; Q74-L150 HydrophobicContact CB-CB 4.35Å; Q74-L150 WeakPolarHBondContact O-CB 2.89Å; Q74-L150 PolarHBondContact O-N 3.08Å; K76-L150 HydrophobicContact CB-CD1 3.88Å; K76-L150 HydrophobicContact CB-CD2 4.48Å; K76-L150 HydrophobicContact CB-CG 4.13Å; K76-L150 HydrophobicContact CD-CD1 4.32Å; E148-L150 HydrophobicContact CG-CD2 4.35Å
151S93.4Very high92.3Very high41 Ų4157.4 Ų57.429%0.28728%0.277SS..EExtended strand (participates in β ladder)trans-152.5146.7178.9-176.50000110.7A73 Q74A73-S151 CarbonylContact C-O 3.58Å; A73-S151 WeakPolarHBondContact CA-O 3.23Å; Q74-S151 PolarHBondContact N-O 2.67Å; Q74-S151 PolarHBondContact O-N 3.48Å
152F94.8Very high92Very high1 Ų159.3 Ų59.30%0.00428%0.283CS..EExtended strand (participates in β ladder)trans-137.6125.2172.5-175.2-92.6000107.6P54 A73 M107 L111 A131 V134 R135 I149 I154P54-F152 HydrophobicContact CG-CE2 3.95Å; A73-F152 HydrophobicContact CB-CD2 3.72Å; A73-F152 HydrophobicContact CB-CE2 4.25Å; M107-F152 HydrophobicContact CE-CD2 3.52Å; M107-F152 HydrophobicContact CE-CE2 3.68Å; M107-F152 HydrophobicContact CE-CG 4.46Å; L111-F152 HydrophobicContact CD1-CZ 4.18Å; A131-F152 HydrophobicContact CB-CD1 3.92Å; A131-F152 HydrophobicContact CB-CE1 4.38Å; A131-F152 WeakPolarHBondContact O-CD1 3.4Å; V134-F152 HydrophobicContact CB-CD1 4.19Å; V134-F152 HydrophobicContact CB-CE1 3.78Å; V134-F152 HydrophobicContact CB-CZ 4.24Å; V134-F152 HydrophobicContact CG1-CD1 4.2Å; V134-F152 HydrophobicContact CG1-CE1 3.67Å; V134-F152 HydrophobicContact CG1-CE2 4.07Å; V134-F152 HydrophobicContact CG1-CZ 3.61Å; V134-F152 HydrophobicContact CG2-CE1 4.29Å; R135-F152 HydrophobicContact CB-CB 4.47Å; R135-F152 PolarHBondContact NH2-O 3.24Å; I149-F152 HydrophobicContact CG2-CB 4.24Å; F152-I154 HydrophobicContact CE1-CD1 3.64Å; F152-I154 HydrophobicContact CZ-CD1 4.12Å
153T94.7Very high91.8Very high65 Ų6563.5 Ų63.540%0.39930%0.3SS..EExtended strand (participates in β ladder)trans-137.1147.2-178.753.10000109.7G71 V72G71-T153 CarbonylContact C-O 3.59Å; G71-T153 VanDerWaalsContact CA-O 3.3Å; G71-T153 WeakPolarHBondContact CA-O 3.35Å; V72-T153 PolarHBondContact N-O 2.95Å; V72-T153 PolarHBondContact O-N 3.2Å; V72-T153 PolarHBondContact O-OG1 3.01Å
154I94.5Very high91.4Very high23 Ų2363.8 Ų63.812%0.11830%0.297CS..EExtended strand (participates in β ladder)trans-86.1129.7172.6-56.7-57.5000108.2V69 L111 F130 A131 F152 V157V69-I154 HydrophobicContact CG1-CD1 4.23Å; V69-I154 HydrophobicContact CG1-CG2 4.07Å; L111-I154 HydrophobicContact CD1-CD1 4.31Å; F130-I154 HydrophobicContact CD1-CD1 3.77Å; F130-I154 HydrophobicContact CD1-CG1 3.72Å; F130-I154 HydrophobicContact CE1-CD1 3.48Å; F130-I154 VanDerWaalsContact CE1-CD1 3.48Å; F130-I154 HydrophobicContact CE1-CG1 3.94Å; F130-I154 HydrophobicContact CZ-CD1 4.49Å; A131-I154 HydrophobicContact CB-CG1 4.28Å; F152-I154 HydrophobicContact CE1-CD1 3.64Å; F152-I154 HydrophobicContact CZ-CD1 4.12Å; I154-V157 HydrophobicContact CG2-CG2 3.73Å
155K92.9Very high91.2Very high125 Ų12559.5 Ų59.554%0.54329%0.288SS..EExtended strand (participates in β ladder)trans-86.5-70.6178.5-174.8-168172.5-172.10109.7T70 V72T70-K155 PolarHBondContact O-N 3.21Å; V72-K155 HydrophobicContact CG2-CB 4.28Å; V72-K155 HydrophobicContact CG2-CD 4.47Å
156D92.4Very high91Very high81 Ų8161.2 Ų61.243%0.43330%0.303SS..EExtended strand (participates in β ladder)trans-134.4142.8-177.1-61.3-55.6000111.2T70 Y158T70-D156 PolarHBondContact N-O 2.92Å; T70-D156 PolarHBondContact O-N 2.85Å; T70-D156 WeakPolarHBondContact OG1-CA 3.48Å; T70-D156 WeakPolarHBondContact OG1-CB 3.33Å; T70-D156 PolarHBondContact OG1-N 3.41Å; T70-D156 PolarHBondContact OG1-O 3.38Å; T70-D156 VanDerWaalsContact OG1-O 3.13Å; D156-Y158 HydrophobicContact CB-CD1 4.4Å
157V91.9Very high90.6Very high17 Ų1763.3 Ų63.310%0.10331%0.314CS..EExtended strand (participates in β ladder)trans-123.9117.7172178.90000106.9L67 V69 I123 I154 L164L67-V157 HydrophobicContact CD1-CG1 4.33Å; V69-V157 HydrophobicContact CG1-CG2 4.18Å; V69-V157 HydrophobicContact CG2-CG1 4.11Å; V69-V157 HydrophobicContact CG2-CG2 4.1Å; I123-V157 HydrophobicContact CG2-CG1 4.29Å; I123-V157 HydrophobicContact CG2-CG2 4.23Å; I154-V157 HydrophobicContact CG2-CG2 3.73Å; V157-L164 HydrophobicContact CG1-CD1 4.48Å
158Y91.4Very high90.2Very high109 Ų10964.9 Ų64.943%0.42733%0.331SS..EExtended strand (participates in β ladder)trans-141.4154.4179.160.4-89.3000111T68 T70 D156T68-Y158 WeakPolarHBondContact CA-O 3.3Å; T68-Y158 VanDerWaalsContact CB-CE2 3.49Å; T68-Y158 HydrophobicContact CG2-CD2 4.41Å; T68-Y158 HydrophobicContact CG2-CE1 3.79Å; T68-Y158 HydrophobicContact CG2-CE2 3.61Å; T68-Y158 WeakPolarHBondContact CG2-OH 3.5Å; T68-Y158 PolarHBondContact N-O 3.48Å; T68-Y158 PolarHBondContact O-N 3.39Å; T68-Y158 VanDerWaalsContact O-O 3.12Å; T70-Y158 HydrophobicContact CG2-CE1 4.3Å; D156-Y158 HydrophobicContact CB-CD1 4.4Å
159D91.1Very high90Very high27 Ų2768 Ų6814%0.14434%0.338CS..EExtended strand (participates in β ladder)trans-117.6158.4-177.665.7-46.2000111.4L67 V161 E162 Y163 L164L67-D159 HydrophobicContact CD2-CB 3.75Å; D159-V161 HydrophobicContact CB-CG2 4.48Å; D159-E162 VanDerWaalsContact OD2-C 3.29Å; D159-E162 VanDerWaalsContact OD2-CA 3.26Å; D159-E162 WeakPolarHBondContact OD2-CA 3.34Å; D159-E162 PolarHBondContact OD2-N 3.2Å; D159-Y163 WeakPolarHBondContact OD2-CA 3.16Å; D159-Y163 WeakPolarHBondContact OD2-CB 3.49Å; D159-Y163 PolarHBondContact OD2-N 2.85Å; D159-L164 HydrophobicContact CB-CD1 4.36Å; D159-L164 HydrophobicContact CB-CG 4.46Å; D159-L164 PolarHBondContact OD2-N 2.76Å
160R87.4Confident89.7Confident164 Ų16469.4 Ų69.462%0.61935%0.353SS*.SBendtrans-89.9-16.4175-68.3-177.2178.7173.91.1113.1E57E57-R160 IonicContact OE2-NH2 2.78Å
161V83.4Confident89.3Confident85 Ų8570.5 Ų70.552%0.51536%0.356SS..SBendtrans-105.86.2-167.7-680000114.1V65 P66 D159 Y163V65-V161 HydrophobicContact CG1-CG2 4.06Å; P66-V161 HydrophobicContact CG-CG1 4.01Å; P66-V161 HydrophobicContact CG-CG2 4.21Å; D159-V161 HydrophobicContact CB-CG2 4.48Å; V161-Y163 PolarHBondContact O-N 3.48Å; V161-Y163 VanDerWaalsContact O-N 3.15Å
162E86.8Confident89.1Confident92 Ų9272 Ų7243%0.4336%0.363SS..SBendtrans58.123.9178.1-158.7168.9-168.400114.8D159 N165 S166 R169D159-E162 VanDerWaalsContact OD2-C 3.29Å; D159-E162 VanDerWaalsContact OD2-CA 3.26Å; D159-E162 WeakPolarHBondContact OD2-CA 3.34Å; D159-E162 PolarHBondContact OD2-N 3.2Å; E162-N165 HydrophobicContact CG-CB 3.47Å; E162-N165 VanDerWaalsContact CG-CB 3.47Å; E162-N165 WeakPolarHBondContact CG-ND2 3.26Å; E162-N165 PolarHBondContact OE1-ND2 3.43Å; E162-S166 PolarHBondContact O-N 2.92Å; E162-S166 VanDerWaalsContact O-N 3.13Å; E162-S166 PolarHBondContact O-OG 3.15Å; E162-R169 IonicContact OE1-NH2 3.8Å; E162-R169 PolarHBondContact OE1-NH2 2.82Å
163Y87.4Confident88.9Confident89 Ų8974.3 Ų74.335%0.34938%0.382SS..Hα-helixtrans-61.8-45.9172.4-175.8-90.1000111.8V65 V120 D159 V161 N165 S166 L167V65-Y163 HydrophobicContact CG1-CD1 4.26Å; V65-Y163 HydrophobicContact CG1-CG 4.02Å; V65-Y163 HydrophobicContact CG2-CD1 4.48Å; V65-Y163 HydrophobicContact CG2-CD2 4.07Å; V65-Y163 HydrophobicContact CG2-CE2 4.14Å; V65-Y163 HydrophobicContact CG2-CG 4.25Å; V120-Y163 HydrophobicContact CB-CE1 4.15Å; V120-Y163 HydrophobicContact CG1-CD1 4Å; V120-Y163 HydrophobicContact CG1-CE1 3.96Å; V120-Y163 HydrophobicContact CG2-CE1 4.37Å; D159-Y163 WeakPolarHBondContact OD2-CA 3.16Å; D159-Y163 WeakPolarHBondContact OD2-CB 3.49Å; D159-Y163 PolarHBondContact OD2-N 2.85Å; V161-Y163 PolarHBondContact O-N 3.48Å; V161-Y163 VanDerWaalsContact O-N 3.15Å; Y163-N165 PolarHBondContact O-N 2.84Å; Y163-S166 WeakPolarHBondContact O-CB 3.33Å; Y163-S166 PolarHBondContact O-N 3.34Å; Y163-S166 VanDerWaalsContact O-N 3.15Å; Y163-L167 PolarHBondContact O-N 2.8Å
164L86.2Confident88.9Confident22 Ų2274 Ų7412%0.11538%0.378CS..Hα-helixtrans-64.5-41-178.6-68.8175.7000112L67 V120 Y124 V157 D159 S166 L167 G168L67-L164 HydrophobicContact CD2-CD1 4.47Å; V120-L164 HydrophobicContact CG1-CD2 3.55Å; Y124-L164 HydrophobicContact CD2-CD2 4.11Å; V157-L164 HydrophobicContact CG1-CD1 4.48Å; D159-L164 HydrophobicContact CB-CD1 4.36Å; D159-L164 HydrophobicContact CB-CG 4.46Å; D159-L164 PolarHBondContact OD2-N 2.76Å; L164-S166 VanDerWaalsContact C-N 3.3Å; L164-S166 PolarHBondContact O-N 3.23Å; L164-L167 PolarHBondContact O-N 3.49Å; L164-G168 PolarHBondContact O-N 3.46Å
165N86.4Confident88.8Confident88 Ų8877.4 Ų77.447%0.47140%0.4SS..Hα-helixtrans-63.8-38.4174.9-73-7.6000111.2E162 Y163 G168 R169E162-N165 HydrophobicContact CG-CB 3.47Å; E162-N165 VanDerWaalsContact CG-CB 3.47Å; E162-N165 WeakPolarHBondContact CG-ND2 3.26Å; E162-N165 PolarHBondContact OE1-ND2 3.43Å; Y163-N165 PolarHBondContact O-N 2.84Å; N165-G168 PolarHBondContact O-N 2.72Å; N165-R169 WeakPolarHBondContact O-CG 3.39Å; N165-R169 PolarHBondContact O-N 3.43Å
166S87.5Confident88.9Confident64 Ų6477.9 Ų77.945%0.44840%0.402SS..Hα-helixtrans-64.7-41.8177.3-61.10000111.7E162 Y163 L164 R169 A170E162-S166 PolarHBondContact O-N 2.92Å; E162-S166 VanDerWaalsContact O-N 3.13Å; E162-S166 PolarHBondContact O-OG 3.15Å; Y163-S166 WeakPolarHBondContact O-CB 3.33Å; Y163-S166 PolarHBondContact O-N 3.34Å; Y163-S166 VanDerWaalsContact O-N 3.15Å; L164-S166 VanDerWaalsContact C-N 3.3Å; L164-S166 PolarHBondContact O-N 3.23Å; S166-R169 PolarHBondContact O-N 3Å; S166-A170 PolarHBondContact O-N 3.43Å
167L85Confident88.9Confident44 Ų4480.3 Ų80.323%0.2341%0.405CS..Hα-helixtrans-60.9-44.5173.5-174.864.8000111.6E121 Y163 L164 R169 A170 Q171E121-L167 HydrophobicContact CG-CD2 4.43Å; Y163-L167 PolarHBondContact O-N 2.8Å; L164-L167 PolarHBondContact O-N 3.49Å; L167-R169 PolarHBondContact O-N 2.79Å; L167-A170 PolarHBondContact O-N 3.02Å; L167-Q171 WeakPolarHBondContact O-CG 3.44Å; L167-Q171 PolarHBondContact O-N 3.25Å
168G85.4Confident89.1Confident35 Ų3584.4 Ų84.436%0.36143%0.427SS..Hα-helixtrans-63.4-38.7176.900000113.5L164 N165 Q171 T172L164-G168 PolarHBondContact O-N 3.46Å; N165-G168 PolarHBondContact O-N 2.72Å; G168-Q171 PolarHBondContact O-N 3.5Å; G168-T172 VanDerWaalsContact O-CB 3.3Å; G168-T172 WeakPolarHBondContact O-CB 3.39Å; G168-T172 PolarHBondContact O-N 2.97Å; G168-T172 PolarHBondContact O-OG1 3.33Å
169R89.7Confident89.2Confident160 Ų16081.8 Ų81.860%0.60443%0.427SS*.Hα-helixtrans-62.1-44.4175.9-75.6178.6-170.5164.810.8111.8E162 N165 S166 L167 T172 A173E162-R169 IonicContact OE1-NH2 3.8Å; E162-R169 PolarHBondContact OE1-NH2 2.82Å; N165-R169 WeakPolarHBondContact O-CG 3.39Å; N165-R169 PolarHBondContact O-N 3.43Å; S166-R169 PolarHBondContact O-N 3Å; L167-R169 PolarHBondContact O-N 2.79Å; R169-T172 PolarHBondContact O-N 3.48Å; R169-A173 WeakPolarHBondContact O-CB 3.32Å; R169-A173 PolarHBondContact O-N 3.31Å
170A88.6Confident89.5Confident49 Ų4985.8 Ų85.841%0.40545%0.449SS..Hα-helixtrans-63.5-46.3178.800000112S166 L167 A173 N174S166-A170 PolarHBondContact O-N 3.43Å; L167-A170 PolarHBondContact O-N 3.02Å; A170-A173 PolarHBondContact O-N 3.28Å; A170-N174 PolarHBondContact O-N 3.5Å; A170-N174 PolarHBondContact O-ND2 3.48Å
171Q84.6Confident89.8Confident99 Ų9981.8 Ų81.846%0.46344%0.439SS..Hα-helixtrans-64.3-42.9177.2-67.4-59.6-31.100111.9L167 G168 A173 N174 V175L167-Q171 WeakPolarHBondContact O-CG 3.44Å; L167-Q171 PolarHBondContact O-N 3.25Å; G168-Q171 PolarHBondContact O-N 3.5Å; Q171-A173 VanDerWaalsContact C-N 3.3Å; Q171-A173 PolarHBondContact O-N 2.9Å; Q171-N174 PolarHBondContact O-N 2.81Å; Q171-V175 WeakPolarHBondContact O-CG2 3.44Å; Q171-V175 PolarHBondContact O-N 3.49Å
172T88.8Confident90.3Very high73 Ų7379.4 Ų79.445%0.44843%0.432SS..Hα-helixtrans-61-40.6176.1-56.40000111.5G168 R169 K176G168-T172 VanDerWaalsContact O-CB 3.3Å; G168-T172 WeakPolarHBondContact O-CB 3.39Å; G168-T172 PolarHBondContact O-N 2.97Å; G168-T172 PolarHBondContact O-OG1 3.33Å; R169-T172 PolarHBondContact O-N 3.48Å; T172-K176 HydrophobicContact CG2-CD 4.23Å; T172-K176 WeakPolarHBondContact O-CB 3.48Å; T172-K176 VanDerWaalsContact O-CG 3.27Å; T172-K176 WeakPolarHBondContact O-CG 3.46Å; T172-K176 PolarHBondContact O-N 2.77Å
173A91.9Very high90.7Very high49 Ų4978.9 Ų78.941%0.40543%0.434SS..Hα-helixtrans-65.6-38.3176.900000112.2R169 A170 Q171 R177R169-A173 WeakPolarHBondContact O-CB 3.32Å; R169-A173 PolarHBondContact O-N 3.31Å; A170-A173 PolarHBondContact O-N 3.28Å; Q171-A173 VanDerWaalsContact C-N 3.3Å; Q171-A173 PolarHBondContact O-N 2.9Å; A173-R177 WeakPolarHBondContact O-CB 3.39Å; A173-R177 PolarHBondContact O-N 3.44Å
174N93.3Very high91Very high59 Ų5976.9 Ų76.932%0.31644%0.437SS..Hα-helixtrans-67.4-48.7176-68.3-18.2000111.7A170 Q171 K176 R177 D178A170-N174 PolarHBondContact O-N 3.5Å; A170-N174 PolarHBondContact O-ND2 3.48Å; Q171-N174 PolarHBondContact O-N 2.81Å; N174-K176 VanDerWaalsContact C-N 3.3Å; N174-K176 PolarHBondContact O-N 3.33Å; N174-R177 WeakPolarHBondContact O-CB 3.43Å; N174-R177 PolarHBondContact O-N 2.83Å; N174-R177 VanDerWaalsContact O-N 3.12Å; N174-R177 PolarHBondContact OD1-NH1 3.19Å; N174-D178 VanDerWaalsContact O-CG 3.3Å; N174-D178 PolarHBondContact O-N 3.41Å
175V92.9Very high91.5Very high95 Ų9580.1 Ų80.158%0.57645%0.451SS*.Hα-helixtrans-60.3-40.8177.8173.80000111.3Q171 D178 A179Q171-V175 WeakPolarHBondContact O-CG2 3.44Å; Q171-V175 PolarHBondContact O-N 3.49Å; V175-D178 PolarHBondContact O-N 3.44Å; V175-A179 VanDerWaalsContact O-CB 3.28Å; V175-A179 WeakPolarHBondContact O-CB 3.37Å; V175-A179 PolarHBondContact O-N 2.87Å
176K94.2Very high91.8Very high134 Ų13478.8 Ų78.858%0.58345%0.452SS*.Hα-helixtrans-62.7-46.8174-76.9-179.6178.2-174.60111.9T172 N174 D178 A179 D180T172-K176 HydrophobicContact CG2-CD 4.23Å; T172-K176 WeakPolarHBondContact O-CB 3.48Å; T172-K176 VanDerWaalsContact O-CG 3.27Å; T172-K176 WeakPolarHBondContact O-CG 3.46Å; T172-K176 PolarHBondContact O-N 2.77Å; N174-K176 VanDerWaalsContact C-N 3.3Å; N174-K176 PolarHBondContact O-N 3.33Å; K176-D178 VanDerWaalsContact C-N 3.33Å; K176-D178 PolarHBondContact O-N 3.23Å; K176-A179 PolarHBondContact O-N 3.5Å; K176-D180 WeakPolarHBondContact O-CB 3.32Å; K176-D180 PolarHBondContact O-N 3.22Å
177R93.4Very high92.2Very high133 Ų13382.1 Ų82.150%0.50246%0.461SS..Hα-helixtrans-56.9-47.7176.8-175.2-169.7-62.11141.8111.2A173 N174 D180 I181A173-R177 WeakPolarHBondContact O-CB 3.39Å; A173-R177 PolarHBondContact O-N 3.44Å; N174-R177 WeakPolarHBondContact O-CB 3.43Å; N174-R177 PolarHBondContact O-N 2.83Å; N174-R177 VanDerWaalsContact O-N 3.12Å; N174-R177 PolarHBondContact OD1-NH1 3.19Å; R177-D180 PolarHBondContact O-N 2.9Å; R177-I181 HydrophobicContact CG-CD1 3.88Å; R177-I181 VanDerWaalsContact O-CG1 3.23Å; R177-I181 WeakPolarHBondContact O-CG1 3.26Å; R177-I181 PolarHBondContact O-N 3.47Å
178D95.8Very high92.7Very high103 Ų10386.3 Ų86.355%0.55147%0.474SS*.Hα-helixtrans-67.5-38.4-178.2-63.7-16.4000111.4N174 V175 K176 I181 G182N174-D178 VanDerWaalsContact O-CG 3.3Å; N174-D178 PolarHBondContact O-N 3.41Å; V175-D178 PolarHBondContact O-N 3.44Å; K176-D178 VanDerWaalsContact C-N 3.33Å; K176-D178 PolarHBondContact O-N 3.23Å; D178-I181 PolarHBondContact O-N 2.92Å; D178-G182 PolarHBondContact O-N 3.45Å
179A94.1Very high93.2Very high53 Ų5389.2 Ų89.244%0.43848%0.481SS..Hα-helixtrans-63.2-45.317300000111.9V175 K176 I181 G182 V183V175-A179 VanDerWaalsContact O-CB 3.28Å; V175-A179 WeakPolarHBondContact O-CB 3.37Å; V175-A179 PolarHBondContact O-N 2.87Å; K176-A179 PolarHBondContact O-N 3.5Å; A179-I181 VanDerWaalsContact C-N 3.35Å; A179-I181 PolarHBondContact O-N 3.18Å; A179-G182 PolarHBondContact O-N 2.96Å; A179-V183 WeakPolarHBondContact O-CG2 3.37Å; A179-V183 PolarHBondContact O-N 3.31Å
180D96.3Very high93.4Very high112 Ų11284.4 Ų84.460%0.59948%0.475SS*.Hα-helixtrans-64.1-40.1178.7-67.1-22.8000111.3K176 R177 V183 A184K176-D180 WeakPolarHBondContact O-CB 3.32Å; K176-D180 PolarHBondContact O-N 3.22Å; R177-D180 PolarHBondContact O-N 2.9Å; D180-V183 PolarHBondContact O-N 3.31Å; D180-A184 VanDerWaalsContact O-CB 3.32Å; D180-A184 WeakPolarHBondContact O-CB 3.34Å; D180-A184 PolarHBondContact O-N 3.5Å
181I94Very high93.7Very high79 Ų7983.7 Ų83.741%0.40547%0.473SS..Hα-helixtrans-62.1-47.2173.3-69.3166.2000110.2R177 D178 A179 V183 A184 E185R177-I181 HydrophobicContact CG-CD1 3.88Å; R177-I181 VanDerWaalsContact O-CG1 3.23Å; R177-I181 WeakPolarHBondContact O-CG1 3.26Å; R177-I181 PolarHBondContact O-N 3.47Å; D178-I181 PolarHBondContact O-N 2.92Å; A179-I181 VanDerWaalsContact C-N 3.35Å; A179-I181 PolarHBondContact O-N 3.18Å; I181-V183 VanDerWaalsContact C-N 3.35Å; I181-V183 PolarHBondContact O-N 3.11Å; I181-A184 PolarHBondContact O-N 3.08Å; I181-E185 HydrophobicContact CG2-CG 4.35Å; I181-E185 WeakPolarHBondContact O-CB 3.22Å; I181-E185 WeakPolarHBondContact O-CG 3.48Å; I181-E185 PolarHBondContact O-N 3.29Å
182G94.8Very high94.2Very high36 Ų3683 Ų8337%0.37147%0.471SS..Hα-helixtrans-61.7-39.717900000113.2D178 A179 A186D178-G182 PolarHBondContact O-N 3.45Å; A179-G182 PolarHBondContact O-N 2.96Å; G182-A186 WeakPolarHBondContact O-CB 3.39Å; G182-A186 PolarHBondContact O-N 3.35Å
183V95.2Very high94.4Very high80 Ų8085.2 Ų85.249%0.48548%0.475SS..Hα-helixtrans-65.9-47.6174.3172.70000110.7A179 D180 I181 E185 A186 E187A179-V183 WeakPolarHBondContact O-CG2 3.37Å; A179-V183 PolarHBondContact O-N 3.31Å; D180-V183 PolarHBondContact O-N 3.31Å; I181-V183 VanDerWaalsContact C-N 3.35Å; I181-V183 PolarHBondContact O-N 3.11Å; V183-E185 VanDerWaalsContact C-N 3.32Å; V183-E185 PolarHBondContact O-N 3.39Å; V183-A186 PolarHBondContact O-N 3.39Å; V183-E187 HydrophobicContact CG1-CG 4.3Å; V183-E187 WeakPolarHBondContact O-CB 3.32Å; V183-E187 WeakPolarHBondContact O-CG 3.28Å; V183-E187 PolarHBondContact O-N 3.01Å
184A93.1Very high94.5Very high48 Ų4889 Ų8940%0.39748%0.484SS..Hα-helixtrans-64.4-34.7-179.800000112.9D180 I181 R188D180-A184 VanDerWaalsContact O-CB 3.32Å; D180-A184 WeakPolarHBondContact O-CB 3.34Å; D180-A184 PolarHBondContact O-N 3.5Å; I181-A184 PolarHBondContact O-N 3.08Å; A184-R188 WeakPolarHBondContact O-CB 3.28Å; A184-R188 PolarHBondContact O-N 2.9Å
185E95.8Very high94.6Very high89 Ų8989 Ų8942%0.41649%0.492SS..Hα-helixtrans-67.1-48.1172.8-76.9177.5169.300111.6I181 V183 E187 R188 D189I181-E185 HydrophobicContact CG2-CG 4.35Å; I181-E185 WeakPolarHBondContact O-CB 3.22Å; I181-E185 WeakPolarHBondContact O-CG 3.48Å; I181-E185 PolarHBondContact O-N 3.29Å; V183-E185 VanDerWaalsContact C-N 3.32Å; V183-E185 PolarHBondContact O-N 3.39Å; E185-E187 PolarHBondContact O-N 3.49Å; E185-R188 PolarHBondContact O-N 3.35Å; E185-D189 WeakPolarHBondContact O-CB 3.36Å; E185-D189 VanDerWaalsContact O-CG 3.31Å; E185-D189 PolarHBondContact O-N 3.39Å
186A94.1Very high94.7Very high60 Ų6089.2 Ų89.250%0.49649%0.487SS..Hα-helixtrans-62.2-42.5178.400000112.5G182 V183 D189 A190G182-A186 WeakPolarHBondContact O-CB 3.39Å; G182-A186 PolarHBondContact O-N 3.35Å; V183-A186 PolarHBondContact O-N 3.39Å; A186-D189 PolarHBondContact O-N 3.34Å; A186-A190 VanDerWaalsContact O-CB 3.24Å; A186-A190 WeakPolarHBondContact O-CB 3.25Å; A186-A190 PolarHBondContact O-N 3.23Å
187E95.8Very high94.6Very high135 Ų13586 Ų8663%0.63148%0.48SS*.Hα-helixtrans-65.1-41.6176.2-75-178.1171.400112.1V183 E185 G191V183-E187 HydrophobicContact CG1-CG 4.3Å; V183-E187 WeakPolarHBondContact O-CB 3.32Å; V183-E187 WeakPolarHBondContact O-CG 3.28Å; V183-E187 PolarHBondContact O-N 3.01Å; E185-E187 PolarHBondContact O-N 3.49Å; E187-G191 PolarHBondContact O-N 3.32Å
188R94.3Very high94.6Very high132 Ų13282.9 Ų82.950%0.49847%0.474SS..Hα-helixtrans-61.2-47.8175.9-173.2-156.4-45137.44.8111A184 E185 G191 I192A184-R188 WeakPolarHBondContact O-CB 3.28Å; A184-R188 PolarHBondContact O-N 2.9Å; E185-R188 PolarHBondContact O-N 3.35Å; R188-G191 PolarHBondContact O-N 2.85Å; R188-I192 HydrophobicContact CG-CD1 4.04Å; R188-I192 VanDerWaalsContact O-CG1 3.29Å; R188-I192 WeakPolarHBondContact O-CG1 3.08Å; R188-I192 PolarHBondContact O-N 3.45Å
189D95.8Very high94.4Very high96 Ų9686.8 Ų86.851%0.51348%0.481SS..Hα-helixtrans-68.8-40.8-177.2-70.4-7.1000111.3E185 A186 I192 K193E185-D189 WeakPolarHBondContact O-CB 3.36Å; E185-D189 VanDerWaalsContact O-CG 3.31Å; E185-D189 PolarHBondContact O-N 3.39Å; A186-D189 PolarHBondContact O-N 3.34Å; D189-I192 PolarHBondContact O-N 3.04Å; D189-K193 WeakPolarHBondContact O-CB 3.19Å; D189-K193 PolarHBondContact O-N 2.82Å
190A94.4Very high94.4Very high58 Ų5887.3 Ų87.348%0.47948%0.481SS..Hα-helixtrans-59.4-46.5171.600000111.2A186 K193 E194A186-A190 VanDerWaalsContact O-CB 3.24Å; A186-A190 WeakPolarHBondContact O-CB 3.25Å; A186-A190 PolarHBondContact O-N 3.23Å; A190-K193 PolarHBondContact O-N 2.9Å; A190-E194 WeakPolarHBondContact O-CB 3.31Å; A190-E194 PolarHBondContact O-N 2.98Å
191G95.4Very high94.3Very high35 Ų3590.6 Ų90.636%0.36149%0.485SS..Hα-helixtrans-64.6-39.1178.700000113.7E187 R188 A195E187-G191 PolarHBondContact O-N 3.32Å; R188-G191 PolarHBondContact O-N 2.85Å; G191-A195 VanDerWaalsContact O-CB 3.26Å; G191-A195 WeakPolarHBondContact O-CB 3.35Å; G191-A195 PolarHBondContact O-N 3.3Å
192I94.6Very high94.3Very high84 Ų8490 Ų9043%0.43148%0.483SS..Hα-helixtrans-63.2-46.7173.6-69.2164.6000109.8R188 D189 E194 A195 E196R188-I192 HydrophobicContact CG-CD1 4.04Å; R188-I192 VanDerWaalsContact O-CG1 3.29Å; R188-I192 WeakPolarHBondContact O-CG1 3.08Å; R188-I192 PolarHBondContact O-N 3.45Å; D189-I192 PolarHBondContact O-N 3.04Å; I192-E194 PolarHBondContact O-N 2.92Å; I192-A195 PolarHBondContact O-N 3.46Å; I192-E196 HydrophobicContact CG2-CG 4.41Å; I192-E196 WeakPolarHBondContact O-CB 3.33Å; I192-E196 VanDerWaalsContact O-CG 3.31Å; I192-E196 WeakPolarHBondContact O-CG 3.45Å; I192-E196 PolarHBondContact O-N 3.46Å
193K93.9Very high94.2Very high119 Ų11992.6 Ų92.652%0.51749%0.488SS..Hα-helixtrans-64-42-179.6-163.172.3-140.2154.60111.9D189 A190 E196 C197D189-K193 WeakPolarHBondContact O-CB 3.19Å; D189-K193 PolarHBondContact O-N 2.82Å; A190-K193 PolarHBondContact O-N 2.9Å; K193-E196 IonicContact NZ-OE2 3.2Å; K193-E196 PolarHBondContact NZ-OE2 2.78Å; K193-E196 PolarHBondContact O-N 3.06Å; K193-C197 WeakPolarHBondContact O-CB 3.37Å; K193-C197 PolarHBondContact O-N 3.43Å; K193-C197 PolarHBondContact O-SG 3.49Å
194E93.9Very high94Very high128 Ų12893.5 Ų93.560%0.59849%0.493SS*.Hα-helixtrans-62.4-48.4175.3-172.8171.1-162.500110.9A190 I192 E196 C197 D198A190-E194 WeakPolarHBondContact O-CB 3.31Å; A190-E194 PolarHBondContact O-N 2.98Å; I192-E194 PolarHBondContact O-N 2.92Å; E194-E196 VanDerWaalsContact C-N 3.32Å; E194-E196 PolarHBondContact O-N 3.32Å; E194-C197 PolarHBondContact O-N 2.72Å; E194-D198 WeakPolarHBondContact O-CB 3.44Å; E194-D198 PolarHBondContact O-N 3.42Å
195A94.8Very high94Very high59 Ų5998.7 Ų98.749%0.48850%0.503SS..Hα-helixtrans-61.4-37.4177.400000112.9G191 I192 R199G191-A195 VanDerWaalsContact O-CB 3.26Å; G191-A195 WeakPolarHBondContact O-CB 3.35Å; G191-A195 PolarHBondContact O-N 3.3Å; I192-A195 PolarHBondContact O-N 3.46Å; A195-R199 VanDerWaalsContact O-CB 3.26Å; A195-R199 WeakPolarHBondContact O-CB 3.37Å; A195-R199 PolarHBondContact O-N 3.47Å
196E94.7Very high93.9Very high100 Ų100100.9 Ų100.947%0.46751%0.508SS..Hα-helixtrans-66.8-45.5173.2-75.6178.7173.200112.3I192 K193 E194 D198 R199 S200I192-E196 HydrophobicContact CG2-CG 4.41Å; I192-E196 WeakPolarHBondContact O-CB 3.33Å; I192-E196 VanDerWaalsContact O-CG 3.31Å; I192-E196 WeakPolarHBondContact O-CG 3.45Å; I192-E196 PolarHBondContact O-N 3.46Å; K193-E196 IonicContact NZ-OE2 3.2Å; K193-E196 PolarHBondContact NZ-OE2 2.78Å; K193-E196 PolarHBondContact O-N 3.06Å; E194-E196 VanDerWaalsContact C-N 3.32Å; E194-E196 PolarHBondContact O-N 3.32Å; E196-D198 VanDerWaalsContact C-N 3.31Å; E196-D198 PolarHBondContact O-N 3.05Å; E196-R199 PolarHBondContact O-N 3.36Å; E196-S200 WeakPolarHBondContact O-CB 3.3Å; E196-S200 PolarHBondContact O-N 3.38Å; E196-S200 PolarHBondContact O-OG 3.22Å
197C92.2Very high93.8Very high66 Ų66100.6 Ų100.645%0.44650%0.503SS..Hα-helixtrans-62.2-40.3176.3-77.40000111.2K193 E194 S200 R201K193-C197 WeakPolarHBondContact O-CB 3.37Å; K193-C197 PolarHBondContact O-N 3.43Å; K193-C197 PolarHBondContact O-SG 3.49Å; E194-C197 PolarHBondContact O-N 2.72Å; C197-S200 WeakPolarHBondContact CA-OG 3.47Å; C197-S200 PolarHBondContact O-OG 3.37Å; C197-R201 WeakPolarHBondContact O-CB 3.49Å; C197-R201 PolarHBondContact O-N 2.72Å
198D93.8Very high93.7Very high68 Ų6896.3 Ų96.336%0.36449%0.49SS..Hα-helixtrans-69.8-43.3176.5-81.7-18000112E194 E196 S200 R201 L202E194-D198 WeakPolarHBondContact O-CB 3.44Å; E194-D198 PolarHBondContact O-N 3.42Å; E196-D198 VanDerWaalsContact C-N 3.31Å; E196-D198 PolarHBondContact O-N 3.05Å; D198-S200 PolarHBondContact O-N 3.11Å; D198-R201 PolarHBondContact O-N 3.15Å; D198-L202 VanDerWaalsContact O-CB 3.29Å; D198-L202 WeakPolarHBondContact O-CB 3.29Å; D198-L202 WeakPolarHBondContact O-CG 3.5Å; D198-L202 PolarHBondContact O-N 3.27Å
199R92.5Very high93.7Very high185 Ų18593.5 Ų93.570%0.69849%0.485SS*.Hα-helixtrans-59.3-48.7175.8-174.3176.7-178.3163.92.2111.2A195 E196 L202 D203A195-R199 VanDerWaalsContact O-CB 3.26Å; A195-R199 WeakPolarHBondContact O-CB 3.37Å; A195-R199 PolarHBondContact O-N 3.47Å; E196-R199 PolarHBondContact O-N 3.36Å; R199-L202 PolarHBondContact O-N 3.09Å; R199-D203 WeakPolarHBondContact O-CB 3.3Å; R199-D203 PolarHBondContact O-N 3.49Å
200S93.4Very high93.6Very high64 Ų6492.5 Ų92.545%0.44848%0.482SS..Hα-helixtrans-64.6-40.6177.655.40000112.6E196 C197 D198 L202 D203 V204E196-S200 WeakPolarHBondContact O-CB 3.3Å; E196-S200 PolarHBondContact O-N 3.38Å; E196-S200 PolarHBondContact O-OG 3.22Å; C197-S200 WeakPolarHBondContact CA-OG 3.47Å; C197-S200 PolarHBondContact O-OG 3.37Å; D198-S200 PolarHBondContact O-N 3.11Å; S200-L202 PolarHBondContact O-N 3.4Å; S200-D203 PolarHBondContact O-N 3.42Å; S200-V204 WeakPolarHBondContact O-CG2 3.47Å; S200-V204 PolarHBondContact O-N 3.5Å; S200-V204 VanDerWaalsContact O-N 3.1Å
201R94.6Very high93.5Very high182 Ų18295.7 Ų95.769%0.68749%0.487SS*.Hα-helixtrans-60.1-44.7173.3-178.7-170.5-120.8-173.41.3111.6C197 D198 R205C197-R201 WeakPolarHBondContact O-CB 3.49Å; C197-R201 PolarHBondContact O-N 2.72Å; D198-R201 PolarHBondContact O-N 3.15Å; R201-R205 WeakPolarHBondContact O-CB 3.23Å; R201-R205 PolarHBondContact O-N 2.82Å
202L92.5Very high93.4Very high67 Ų6799.4 Ų99.435%0.35150%0.498SS..Hα-helixtrans-68.1-41.2179.4-73.5173.4000111.5D198 R199 S200 V204 R205 Y206D198-L202 VanDerWaalsContact O-CB 3.29Å; D198-L202 WeakPolarHBondContact O-CB 3.29Å; D198-L202 WeakPolarHBondContact O-CG 3.5Å; D198-L202 PolarHBondContact O-N 3.27Å; R199-L202 PolarHBondContact O-N 3.09Å; S200-L202 PolarHBondContact O-N 3.4Å; L202-V204 PolarHBondContact O-N 3.2Å; L202-R205 CarbonylContact O-C 3.57Å; L202-R205 WeakPolarHBondContact O-CB 3.2Å; L202-R205 PolarHBondContact O-N 3.07Å; L202-R205 VanDerWaalsContact O-N 3.15Å; L202-Y206 HydrophobicContact CB-CD2 4.22Å; L202-Y206 HydrophobicContact CB-CE2 3.83Å; L202-Y206 HydrophobicContact CD2-CE2 4.49Å; L202-Y206 WeakPolarHBondContact O-CB 3.32Å; L202-Y206 WeakPolarHBondContact O-CD2 3.5Å; L202-Y206 VanDerWaalsContact O-CG 3.26Å; L202-Y206 PolarHBondContact O-N 3.25Å
203D92.8Very high93.3Very high89 Ų8998.1 Ų98.148%0.47650%0.5SS..Hα-helixtrans-61.6-42.9177.1-71.5-21.7000111.7R199 S200 Y206 S207R199-D203 WeakPolarHBondContact O-CB 3.3Å; R199-D203 PolarHBondContact O-N 3.49Å; S200-D203 PolarHBondContact O-N 3.42Å; D203-Y206 PolarHBondContact O-N 2.75Å; D203-S207 WeakPolarHBondContact O-CB 3.3Å; D203-S207 PolarHBondContact O-N 3.24Å; D203-S207 PolarHBondContact O-OG 3.31Å
204V92.5Very high93.3Very high99 Ų9996.5 Ų96.560%0.650%0.496SS*.Hα-helixtrans-64.1-41.7173.3175.20000111S200 L202 S207 A208S200-V204 WeakPolarHBondContact O-CG2 3.47Å; S200-V204 PolarHBondContact O-N 3.5Å; S200-V204 VanDerWaalsContact O-N 3.1Å; L202-V204 PolarHBondContact O-N 3.2Å; V204-S207 WeakPolarHBondContact CA-OG 3.31Å; V204-S207 PolarHBondContact O-OG 2.67Å; V204-A208 WeakPolarHBondContact O-CB 3.38Å; V204-A208 PolarHBondContact O-N 2.93Å
205R93.2Very high93.2Very high157 Ų15794 Ų9459%0.59249%0.493SS*.Hα-helixtrans-64.3-46.5177.1-176.4176.6179.8170.72.6111.9R201 L202 A208 D209R201-R205 WeakPolarHBondContact O-CB 3.23Å; R201-R205 PolarHBondContact O-N 2.82Å; L202-R205 CarbonylContact O-C 3.57Å; L202-R205 WeakPolarHBondContact O-CB 3.2Å; L202-R205 PolarHBondContact O-N 3.07Å; L202-R205 VanDerWaalsContact O-N 3.15Å; R205-A208 PolarHBondContact O-N 3.37Å; R205-D209 WeakPolarHBondContact CG-OD2 3.39Å; R205-D209 IonicContact NE-OD2 3.18Å; R205-D209 VanDerWaalsContact O-CB 3.31Å; R205-D209 WeakPolarHBondContact O-CB 3.08Å; R205-D209 VanDerWaalsContact O-CG 3.22Å; R205-D209 PolarHBondContact O-N 3.32Å
206Y92.3Very high93.1Very high136 Ų13693.7 Ų93.753%0.53349%0.487SS..Hα-helixtrans-65.3-41179.3-68-43.3000111.7L202 D203 D209 T210L202-Y206 HydrophobicContact CB-CD2 4.22Å; L202-Y206 HydrophobicContact CB-CE2 3.83Å; L202-Y206 HydrophobicContact CD2-CE2 4.49Å; L202-Y206 WeakPolarHBondContact O-CB 3.32Å; L202-Y206 WeakPolarHBondContact O-CD2 3.5Å; L202-Y206 VanDerWaalsContact O-CG 3.26Å; L202-Y206 PolarHBondContact O-N 3.25Å; D203-Y206 PolarHBondContact O-N 2.75Å; Y206-D209 PolarHBondContact O-N 2.81Å; Y206-T210 WeakPolarHBondContact O-CB 3.33Å; Y206-T210 WeakPolarHBondContact O-CG2 3.23Å; Y206-T210 PolarHBondContact O-N 2.76Å; Y206-T210 PolarHBondContact O-OG1 3.1Å
207S93.1Very high93Very high54 Ų5496.8 Ų96.838%0.37850%0.495SS..Hα-helixtrans-61.9-45.9173.756.10000111.5D203 V204 D209 T210 H211D203-S207 WeakPolarHBondContact O-CB 3.3Å; D203-S207 PolarHBondContact O-N 3.24Å; D203-S207 PolarHBondContact O-OG 3.31Å; V204-S207 WeakPolarHBondContact CA-OG 3.31Å; V204-S207 PolarHBondContact O-OG 2.67Å; S207-D209 PolarHBondContact O-N 3.41Å; S207-T210 WeakPolarHBondContact CA-OG1 3.37Å; S207-T210 PolarHBondContact O-N 2.9Å; S207-T210 PolarHBondContact O-OG1 2.9Å; S207-H211 PolarHBondContact O-CD2 3.39Å; S207-H211 PolarHBondContact O-N 3.4Å
208A92.6Very high93.1Very high45 Ų4598.1 Ų98.137%0.37250%0.495SS..Hα-helixtrans-60.5-47.1174.600000112.6V204 R205 T210 H211 I212V204-A208 WeakPolarHBondContact O-CB 3.38Å; V204-A208 PolarHBondContact O-N 2.93Å; R205-A208 PolarHBondContact O-N 3.37Å; A208-T210 PolarHBondContact O-N 3.09Å; A208-H211 PolarHBondContact O-N 2.65Å; A208-I212 WeakPolarHBondContact O-CG1 3.24Å; A208-I212 PolarHBondContact O-N 3.08Å
209D94.4Very high93.1Very high73 Ų73101.3 Ų101.339%0.3951%0.506SS..Hα-helixtrans-64-39.6-179.7-73.2-17000111.4R205 Y206 S207 I212 A213R205-D209 WeakPolarHBondContact CG-OD2 3.39Å; R205-D209 IonicContact NE-OD2 3.18Å; R205-D209 VanDerWaalsContact O-CB 3.31Å; R205-D209 WeakPolarHBondContact O-CB 3.08Å; R205-D209 VanDerWaalsContact O-CG 3.22Å; R205-D209 PolarHBondContact O-N 3.32Å; Y206-D209 PolarHBondContact O-N 2.81Å; S207-D209 PolarHBondContact O-N 3.41Å; D209-I212 PolarHBondContact O-N 3.37Å; D209-A213 VanDerWaalsContact O-CB 3.24Å; D209-A213 WeakPolarHBondContact O-CB 3.45Å; D209-A213 PolarHBondContact O-N 2.74Å
210T93.5Very high93.2Very high74 Ų7498.1 Ų98.145%0.45450%0.499SS..Hα-helixtrans-65.3-39.8174.657.70000111.9Y206 S207 A208 A213 N214Y206-T210 WeakPolarHBondContact O-CB 3.33Å; Y206-T210 WeakPolarHBondContact O-CG2 3.23Å; Y206-T210 PolarHBondContact O-N 2.76Å; Y206-T210 PolarHBondContact O-OG1 3.1Å; S207-T210 WeakPolarHBondContact CA-OG1 3.37Å; S207-T210 PolarHBondContact O-N 2.9Å; S207-T210 PolarHBondContact O-OG1 2.9Å; A208-T210 PolarHBondContact O-N 3.09Å; T210-A213 PolarHBondContact O-N 2.81Å; T210-N214 VanDerWaalsContact O-CB 3.23Å; T210-N214 WeakPolarHBondContact O-CB 3.43Å; T210-N214 PolarHBondContact O-N 3.41Å; T210-N214 PolarHBondContact O-ND2 3.18Å
211H94Very high93.2Very high126 Ų126100.1 Ų100.158%0.58350%0.504SS*.Hα-helixtrans-64.4-41.7174.5-75.9-60.7000112.4S207 A208 S215S207-H211 PolarHBondContact O-CD2 3.39Å; S207-H211 PolarHBondContact O-N 3.4Å; A208-H211 PolarHBondContact O-N 2.65Å; H211-S215 WeakPolarHBondContact O-CB 3.46Å; H211-S215 PolarHBondContact O-N 3.24Å; H211-S215 PolarHBondContact O-OG 2.78Å
212I92.3Very high93.1Very high113 Ų11398.5 Ų98.558%0.57950%0.498SS*.Hα-helixtrans-65.2-47.3176.1-66.7165.6000110.4A208 D209 N214 S215 S216A208-I212 WeakPolarHBondContact O-CG1 3.24Å; A208-I212 PolarHBondContact O-N 3.08Å; D209-I212 PolarHBondContact O-N 3.37Å; I212-N214 PolarHBondContact O-N 3.3Å; I212-S215 PolarHBondContact O-N 3.08Å; I212-S216 WeakPolarHBondContact O-CB 3.46Å; I212-S216 PolarHBondContact O-N 3.38Å
213A92.3Very high93.2Very high57 Ų57100.6 Ų100.647%0.47150%0.504SS..Hα-helixtrans-62.4-43.3179.100000111.7D209 T210 S216 R217D209-A213 VanDerWaalsContact O-CB 3.24Å; D209-A213 WeakPolarHBondContact O-CB 3.45Å; D209-A213 PolarHBondContact O-N 2.74Å; T210-A213 PolarHBondContact O-N 2.81Å; A213-S216 PolarHBondContact O-N 3.2Å; A213-R217 VanDerWaalsContact O-CB 3.28Å; A213-R217 WeakPolarHBondContact O-CB 3.48Å; A213-R217 PolarHBondContact O-N 2.71Å
214N93.4Very high93.2Very high84 Ų8498.9 Ų98.945%0.44950%0.502SS..Hα-helixtrans-63.4-45175.5-75-24.1000111.5T210 I212 S216 R217 E218T210-N214 VanDerWaalsContact O-CB 3.23Å; T210-N214 WeakPolarHBondContact O-CB 3.43Å; T210-N214 PolarHBondContact O-N 3.41Å; T210-N214 PolarHBondContact O-ND2 3.18Å; I212-N214 PolarHBondContact O-N 3.3Å; N214-S216 PolarHBondContact O-N 3.34Å; N214-R217 PolarHBondContact O-N 3.48Å; N214-E218 WeakPolarHBondContact O-CB 3.29Å; N214-E218 WeakPolarHBondContact O-CG 3.44Å; N214-E218 PolarHBondContact O-N 3.49Å
215S92Very high93.2Very high76 Ų7696.8 Ų96.853%0.53149%0.491SS..Hα-helixtrans-63.6-41.9177.8-58.50000111.9H211 I212 E218 F219H211-S215 WeakPolarHBondContact O-CB 3.46Å; H211-S215 PolarHBondContact O-N 3.24Å; H211-S215 PolarHBondContact O-OG 2.78Å; I212-S215 PolarHBondContact O-N 3.08Å; S215-E218 PolarHBondContact O-N 2.77Å; S215-F219 WeakPolarHBondContact O-CB 3.41Å; S215-F219 PolarHBondContact O-N 2.82Å
216S93.4Very high93.2Very high52 Ų5295.1 Ų95.136%0.36449%0.489SS..Hα-helixtrans-64.5-43.4174.8178.40000111.4I212 A213 N214 F219 Q220I212-S216 WeakPolarHBondContact O-CB 3.46Å; I212-S216 PolarHBondContact O-N 3.38Å; A213-S216 PolarHBondContact O-N 3.2Å; N214-S216 PolarHBondContact O-N 3.34Å; S216-F219 PolarHBondContact O-N 2.98Å; S216-Q220 WeakPolarHBondContact O-CB 3.47Å; S216-Q220 VanDerWaalsContact O-CG 3.24Å; S216-Q220 WeakPolarHBondContact O-CG 3.45Å; S216-Q220 PolarHBondContact O-N 3.49Å; S216-Q220 PolarHBondContact OG-NE2 2.95Å
217R93.1Very high93.2Very high165 Ų16592.1 Ų92.162%0.62348%0.482SS*.Hα-helixtrans-61.6-46.5175.9-172.6-163.7-169.4-164.95111.2A213 N214 Q220 L221A213-R217 VanDerWaalsContact O-CB 3.28Å; A213-R217 WeakPolarHBondContact O-CB 3.48Å; A213-R217 PolarHBondContact O-N 2.71Å; N214-R217 PolarHBondContact O-N 3.48Å; R217-Q220 PolarHBondContact O-N 3.39Å; R217-L221 HydrophobicContact CG-CD1 4.15Å; R217-L221 HydrophobicContact CG-CG 4.49Å; R217-L221 WeakPolarHBondContact O-CB 3.28Å; R217-L221 WeakPolarHBondContact O-CG 3.31Å; R217-L221 PolarHBondContact O-N 2.78Å
218E94Very high93.2Very high95 Ų9595.8 Ų95.844%0.44449%0.493SS..Hα-helixtrans-60.9-45176.5-80.2-169.6-159.900111.9N214 S215 Q220 L221 R222N214-E218 WeakPolarHBondContact O-CB 3.29Å; N214-E218 WeakPolarHBondContact O-CG 3.44Å; N214-E218 PolarHBondContact O-N 3.49Å; S215-E218 PolarHBondContact O-N 2.77Å; E218-Q220 VanDerWaalsContact C-N 3.34Å; E218-Q220 PolarHBondContact O-N 2.75Å; E218-L221 PolarHBondContact O-N 2.81Å; E218-R222 WeakPolarHBondContact O-CB 3.49Å; E218-R222 WeakPolarHBondContact O-CG 3.34Å; E218-R222 PolarHBondContact O-N 2.83Å; E218-R222 IonicContact OE2-CZ 3.5Å; E218-R222 IonicContact OE2-NH1 2.99Å; E218-R222 IonicContact OE2-NH2 3.55Å; E218-R222 PolarHBondContact OE2-NH2 2.89Å
219F93Very high93.2Very high135 Ų13598.9 Ų98.959%0.59250%0.5SS*.Hα-helixtrans-59.6-45.6175.7175.2-102.3000111.3S215 S216 R222 K223S215-F219 WeakPolarHBondContact O-CB 3.41Å; S215-F219 PolarHBondContact O-N 2.82Å; S216-F219 PolarHBondContact O-N 2.98Å; F219-R222 PolarHBondContact O-N 3.44Å; F219-K223 HydrophobicContact CE1-CD 4.49Å; F219-K223 VanDerWaalsContact O-CB 3.27Å; F219-K223 WeakPolarHBondContact O-CB 3.45Å; F219-K223 PolarHBondContact O-N 3.25Å
220Q94.2Very high93.1Very high118 Ų11898.6 Ų98.655%0.55150%0.501SS*.Hα-helixtrans-64.9-40.5177.7-72.8174.825.400112.4S216 R217 E218 K223 A224S216-Q220 WeakPolarHBondContact O-CB 3.47Å; S216-Q220 VanDerWaalsContact O-CG 3.24Å; S216-Q220 WeakPolarHBondContact O-CG 3.45Å; S216-Q220 PolarHBondContact O-N 3.49Å; S216-Q220 PolarHBondContact OG-NE2 2.95Å; R217-Q220 PolarHBondContact O-N 3.39Å; E218-Q220 VanDerWaalsContact C-N 3.34Å; E218-Q220 PolarHBondContact O-N 2.75Å; Q220-K223 PolarHBondContact O-N 2.77Å; Q220-A224 WeakPolarHBondContact O-CB 3.4Å; Q220-A224 PolarHBondContact O-N 3.41Å
221L93.6Very high93Very high106 Ų10699.5 Ų99.556%0.55550%0.503SS*.Hα-helixtrans-65.2-45.4175.8-75.3172.7000111.7R217 E218 A224 S225R217-L221 HydrophobicContact CG-CD1 4.15Å; R217-L221 HydrophobicContact CG-CG 4.49Å; R217-L221 WeakPolarHBondContact O-CB 3.28Å; R217-L221 WeakPolarHBondContact O-CG 3.31Å; R217-L221 PolarHBondContact O-N 2.78Å; E218-L221 PolarHBondContact O-N 2.81Å; L221-A224 PolarHBondContact O-N 3.49Å; L221-S225 WeakPolarHBondContact O-CB 3.47Å; L221-S225 PolarHBondContact O-N 2.94Å
222R92.6Very high92.9Very high148 Ų14896.6 Ų96.656%0.55849%0.494SS*.Hα-helixtrans-62.8-45.4175.9-73-174.7-171.5123.215.2111E218 F219 S225 F226E218-R222 WeakPolarHBondContact O-CB 3.49Å; E218-R222 WeakPolarHBondContact O-CG 3.34Å; E218-R222 PolarHBondContact O-N 2.83Å; E218-R222 IonicContact OE2-CZ 3.5Å; E218-R222 IonicContact OE2-NH1 2.99Å; E218-R222 IonicContact OE2-NH2 3.55Å; E218-R222 PolarHBondContact OE2-NH2 2.89Å; F219-R222 PolarHBondContact O-N 3.44Å; R222-S225 WeakPolarHBondContact O-CB 3.48Å; R222-S225 PolarHBondContact O-N 2.77Å; R222-F226 HydrophobicContact CB-CE2 4.23Å; R222-F226 WeakPolarHBondContact O-CD2 3.3Å; R222-F226 WeakPolarHBondContact O-CG 3.42Å; R222-F226 PolarHBondContact O-N 3.48Å
223K94.2Very high92.8Very high111 Ų11193.5 Ų93.548%0.48349%0.485SS..Hα-helixtrans-59.2-47.8175.4-175.4-177.1175.4-172.90111.3F219 Q220 S225 F226 D227F219-K223 HydrophobicContact CE1-CD 4.49Å; F219-K223 VanDerWaalsContact O-CB 3.27Å; F219-K223 WeakPolarHBondContact O-CB 3.45Å; F219-K223 PolarHBondContact O-N 3.25Å; Q220-K223 PolarHBondContact O-N 2.77Å; K223-S225 VanDerWaalsContact C-N 3.31Å; K223-S225 PolarHBondContact O-N 3.24Å; K223-F226 PolarHBondContact O-N 2.79Å; K223-D227 WeakPolarHBondContact O-CB 3.42Å; K223-D227 VanDerWaalsContact O-CG 3.27Å; K223-D227 PolarHBondContact O-N 2.99Å
224A93.1Very high92.8Very high53 Ų5398.4 Ų98.444%0.43849%0.492SS..Hα-helixtrans-62.4-37.4177.600000112.1Q220 L221 Q228Q220-A224 WeakPolarHBondContact O-CB 3.4Å; Q220-A224 PolarHBondContact O-N 3.41Å; L221-A224 PolarHBondContact O-N 3.49Å; A224-Q228 VanDerWaalsContact O-CB 3.24Å; A224-Q228 WeakPolarHBondContact O-CB 3.39Å; A224-Q228 PolarHBondContact O-N 2.83Å
225S93.5Very high92.7Very high54 Ų5496.5 Ų96.538%0.37849%0.488SS..Hα-helixtrans-62.3-48.8173.7-167.40000111.4L221 R222 K223 Q228 E229L221-S225 WeakPolarHBondContact O-CB 3.47Å; L221-S225 PolarHBondContact O-N 2.94Å; R222-S225 WeakPolarHBondContact O-CB 3.48Å; R222-S225 PolarHBondContact O-N 2.77Å; K223-S225 VanDerWaalsContact C-N 3.31Å; K223-S225 PolarHBondContact O-N 3.24Å; S225-Q228 WeakPolarHBondContact O-CB 3.4Å; S225-Q228 PolarHBondContact O-N 3.23Å; S225-E229 WeakPolarHBondContact O-CG 3.37Å; S225-E229 PolarHBondContact O-N 3.48Å
226F92.6Very high92.7Very high122 Ų12299.2 Ų99.254%0.53549%0.492SS..Hα-helixtrans-65.4-40.9177.3-67.6-54.2000112.2R222 K223 Q228 E229 V230R222-F226 HydrophobicContact CB-CE2 4.23Å; R222-F226 WeakPolarHBondContact O-CD2 3.3Å; R222-F226 WeakPolarHBondContact O-CG 3.42Å; R222-F226 PolarHBondContact O-N 3.48Å; K223-F226 PolarHBondContact O-N 2.79Å; F226-Q228 VanDerWaalsContact C-N 3.3Å; F226-Q228 PolarHBondContact O-N 2.85Å; F226-E229 PolarHBondContact O-N 2.91Å; F226-V230 WeakPolarHBondContact O-CB 3.32Å; F226-V230 VanDerWaalsContact O-CG2 3.27Å; F226-V230 WeakPolarHBondContact O-CG2 3.39Å; F226-V230 PolarHBondContact O-N 2.82Å
227D93.3Very high92.5Very high73 Ų73100.6 Ų100.639%0.3950%0.501SS..Hα-helixtrans-63.7-39.5175.6-73.4-22.4000110.5K223 N231K223-D227 WeakPolarHBondContact O-CB 3.42Å; K223-D227 VanDerWaalsContact O-CG 3.27Å; K223-D227 PolarHBondContact O-N 2.99Å; D227-N231 WeakPolarHBondContact O-CB 3.31Å; D227-N231 PolarHBondContact O-N 3.27Å; D227-N231 PolarHBondContact O-ND2 2.91Å
228Q92.7Very high92.4Very high132 Ų13297.8 Ų97.862%0.61750%0.495SS*.Hα-helixtrans-61.2-48.8172.9-178.7177.9-14.700110.8A224 S225 F226 V230 N231 T232A224-Q228 VanDerWaalsContact O-CB 3.24Å; A224-Q228 WeakPolarHBondContact O-CB 3.39Å; A224-Q228 PolarHBondContact O-N 2.83Å; S225-Q228 WeakPolarHBondContact O-CB 3.4Å; S225-Q228 PolarHBondContact O-N 3.23Å; F226-Q228 VanDerWaalsContact C-N 3.3Å; F226-Q228 PolarHBondContact O-N 2.85Å; Q228-V230 PolarHBondContact O-N 3.28Å; Q228-N231 CarbonylContact O-C 3.59Å; Q228-N231 PolarHBondContact O-N 3.1Å; Q228-T232 HydrophobicContact CG-CG2 4.35Å; Q228-T232 WeakPolarHBondContact O-CG2 3.43Å; Q228-T232 PolarHBondContact O-N 2.82Å; Q228-T232 PolarHBondContact O-OG1 3.49Å; Q228-T232 VanDerWaalsContact O-OG1 3.1Å
229E92.3Very high92.2Very high109 Ų10998.6 Ų98.651%0.50950%0.502SS..Hα-helixtrans-60.6-44.2177.9-73.9171.9-160.100112.5S225 F226 N231 T232 A233S225-E229 WeakPolarHBondContact O-CG 3.37Å; S225-E229 PolarHBondContact O-N 3.48Å; F226-E229 PolarHBondContact O-N 2.91Å; E229-N231 VanDerWaalsContact C-N 3.35Å; E229-T232 WeakPolarHBondContact CA-OG1 3.25Å; E229-T232 PolarHBondContact O-N 3.37Å; E229-T232 PolarHBondContact O-OG1 3.27Å; E229-A233 VanDerWaalsContact O-CB 3.31Å; E229-A233 WeakPolarHBondContact O-CB 3.49Å; E229-A233 PolarHBondContact O-N 3.42Å
230V91.9Very high92Very high67 Ų6795 Ų9541%0.40650%0.498SS..Hα-helixtrans-64.6-41.9176.2171.20000110.4F226 Q228 R234F226-V230 WeakPolarHBondContact O-CB 3.32Å; F226-V230 VanDerWaalsContact O-CG2 3.27Å; F226-V230 WeakPolarHBondContact O-CG2 3.39Å; F226-V230 PolarHBondContact O-N 2.82Å; Q228-V230 PolarHBondContact O-N 3.28Å; V230-R234 HydrophobicContact CG1-CG 4.44Å; V230-R234 VanDerWaalsContact O-CB 3.3Å; V230-R234 WeakPolarHBondContact O-CB 3.27Å; V230-R234 VanDerWaalsContact O-CG 3.24Å; V230-R234 WeakPolarHBondContact O-CG 2.97Å; V230-R234 PolarHBondContact O-N 2.8Å
231N91.3Very high91.9Very high93 Ų9398 Ų9850%0.49751%0.505SS..Hα-helixtrans-70.4-37.9179.1-72.5-29.3000112.2D227 Q228 E229 R234 A235D227-N231 WeakPolarHBondContact O-CB 3.31Å; D227-N231 PolarHBondContact O-N 3.27Å; D227-N231 PolarHBondContact O-ND2 2.91Å; Q228-N231 CarbonylContact O-C 3.59Å; Q228-N231 PolarHBondContact O-N 3.1Å; E229-N231 VanDerWaalsContact C-N 3.35Å; N231-R234 PolarHBondContact O-N 2.95Å; N231-A235 WeakPolarHBondContact O-CB 3.43Å; N231-A235 PolarHBondContact O-N 3.48Å
232T92.3Very high91.7Very high66 Ų6698.7 Ų98.741%0.40550%0.504SS..Hα-helixtrans-65.6-46173.951.40000110.3Q228 E229 R234 A235 E236Q228-T232 HydrophobicContact CG-CG2 4.35Å; Q228-T232 WeakPolarHBondContact O-CG2 3.43Å; Q228-T232 PolarHBondContact O-N 2.82Å; Q228-T232 PolarHBondContact O-OG1 3.49Å; Q228-T232 VanDerWaalsContact O-OG1 3.1Å; E229-T232 WeakPolarHBondContact CA-OG1 3.25Å; E229-T232 PolarHBondContact O-N 3.37Å; E229-T232 PolarHBondContact O-OG1 3.27Å; T232-R234 VanDerWaalsContact C-N 3.34Å; T232-R234 PolarHBondContact O-N 3.25Å; T232-A235 PolarHBondContact O-N 3.29Å; T232-E236 WeakPolarHBondContact O-CB 3.21Å; T232-E236 VanDerWaalsContact O-CG 3.29Å; T232-E236 WeakPolarHBondContact O-CG 3.22Å; T232-E236 PolarHBondContact O-N 2.86Å
233A90.8Very high91.6Very high48 Ų4896.1 Ų96.140%0.39750%0.5SS..Hα-helixtrans-63-39.4177.500000112.2E229 S237E229-A233 VanDerWaalsContact O-CB 3.31Å; E229-A233 WeakPolarHBondContact O-CB 3.49Å; E229-A233 PolarHBondContact O-N 3.42Å; A233-S237 WeakPolarHBondContact O-CB 3.47Å; A233-S237 PolarHBondContact O-N 3.44Å; A233-S237 PolarHBondContact O-OG 2.88Å
234R92.3Very high91.3Very high159 Ų15995.8 Ų95.860%0.650%0.501SS*.Hα-helixtrans-66.3-45.7173.1-77.4177.2-179.2176.91.8111.9V230 N231 T232 E236 S237 E238V230-R234 HydrophobicContact CG1-CG 4.44Å; V230-R234 VanDerWaalsContact O-CB 3.3Å; V230-R234 WeakPolarHBondContact O-CB 3.27Å; V230-R234 VanDerWaalsContact O-CG 3.24Å; V230-R234 WeakPolarHBondContact O-CG 2.97Å; V230-R234 PolarHBondContact O-N 2.8Å; N231-R234 PolarHBondContact O-N 2.95Å; T232-R234 VanDerWaalsContact C-N 3.34Å; T232-R234 PolarHBondContact O-N 3.25Å; R234-E236 VanDerWaalsContact C-N 3.34Å; R234-E236 PolarHBondContact O-N 2.86Å; R234-S237 PolarHBondContact O-N 2.88Å; R234-E238 WeakPolarHBondContact O-CB 3.44Å; R234-E238 WeakPolarHBondContact O-CG 3.17Å; R234-E238 PolarHBondContact O-N 3.34Å
235A90.1Very high91.2Very high45 Ų4595 Ų9537%0.37250%0.495SS..Hα-helixtrans-63-41.117800000111.2N231 T232 E238 L239N231-A235 WeakPolarHBondContact O-CB 3.43Å; N231-A235 PolarHBondContact O-N 3.48Å; T232-A235 PolarHBondContact O-N 3.29Å; A235-E238 PolarHBondContact O-N 2.83Å; A235-L239 WeakPolarHBondContact O-CB 3.35Å; A235-L239 WeakPolarHBondContact O-CG 3.35Å; A235-L239 PolarHBondContact O-N 3.19Å
236E91.6Very high91.2Very high133 Ų13395 Ų9562%0.62150%0.497SS*.Hα-helixtrans-62.7-44.8173.2-76.2176.7178.900111.5T232 R234 L239 A240T232-E236 WeakPolarHBondContact O-CB 3.21Å; T232-E236 VanDerWaalsContact O-CG 3.29Å; T232-E236 WeakPolarHBondContact O-CG 3.22Å; T232-E236 PolarHBondContact O-N 2.86Å; R234-E236 VanDerWaalsContact C-N 3.34Å; R234-E236 PolarHBondContact O-N 2.86Å; E236-L239 PolarHBondContact O-N 2.84Å; E236-A240 WeakPolarHBondContact O-CB 3.24Å; E236-A240 PolarHBondContact O-N 3.38Å
237S89.4Confident91.2Very high80 Ų8094 Ų9456%0.55949%0.493SS*.Hα-helixtrans-62.7-43.6176.6-60.40000111.8A233 R234 A240 Y241A233-S237 WeakPolarHBondContact O-CB 3.47Å; A233-S237 PolarHBondContact O-N 3.44Å; A233-S237 PolarHBondContact O-OG 2.88Å; R234-S237 PolarHBondContact O-N 2.88Å; S237-A240 PolarHBondContact O-N 3.49Å; S237-Y241 WeakPolarHBondContact O-CB 3.3Å; S237-Y241 PolarHBondContact O-N 2.91Å
238E92.4Very high91Very high106 Ų10694.4 Ų94.450%0.49549%0.492SS..Hα-helixtrans-67.4-42.5175.4-78.9-167.8-159.800112.6R234 A235 A240 Y241 K242R234-E238 WeakPolarHBondContact O-CB 3.44Å; R234-E238 WeakPolarHBondContact O-CG 3.17Å; R234-E238 PolarHBondContact O-N 3.34Å; A235-E238 PolarHBondContact O-N 2.83Å; E238-A240 VanDerWaalsContact C-N 3.34Å; E238-Y241 PolarHBondContact O-N 3.46Å; E238-K242 VanDerWaalsContact O-CB 3.27Å; E238-K242 WeakPolarHBondContact O-CB 3.15Å; E238-K242 VanDerWaalsContact O-CG 3.25Å; E238-K242 WeakPolarHBondContact O-CG 3.27Å; E238-K242 PolarHBondContact O-N 3.48Å; E238-K242 IonicContact OE2-NZ 3.31Å; E238-K242 PolarHBondContact OE2-NZ 2.94Å
239L89.1Confident91Very high113 Ų11397 Ų9759%0.59250%0.497SS*.Hα-helixtrans-64.9-40.7176.3-77.7173.8000110.1A235 E236 K242 L243A235-L239 WeakPolarHBondContact O-CB 3.35Å; A235-L239 WeakPolarHBondContact O-CG 3.35Å; A235-L239 PolarHBondContact O-N 3.19Å; E236-L239 PolarHBondContact O-N 2.84Å; L239-K242 PolarHBondContact O-N 2.84Å; L239-L243 WeakPolarHBondContact O-CA 3.18Å; L239-L243 WeakPolarHBondContact O-CB 3.29Å; L239-L243 PolarHBondContact O-N 3.27Å
240A89.8Confident90.8Very high60 Ų6098.1 Ų98.150%0.49650%0.501SS..Hα-helixtrans-60.9-4617400000111E236 S237 E238 L243 Q244E236-A240 WeakPolarHBondContact O-CB 3.24Å; E236-A240 PolarHBondContact O-N 3.38Å; S237-A240 PolarHBondContact O-N 3.49Å; E238-A240 VanDerWaalsContact C-N 3.34Å; A240-L243 PolarHBondContact O-N 3.47Å; A240-Q244 VanDerWaalsContact O-CB 3.31Å; A240-Q244 WeakPolarHBondContact O-CB 3.31Å; A240-Q244 PolarHBondContact O-N 3.31Å
241Y90.2Very high90.8Very high181 Ų181100.5 Ų100.571%0.7151%0.506SS*.Hα-helixtrans-62.5-47.9175.6-175.1-96.9000112.3S237 E238 Q244 A245S237-Y241 WeakPolarHBondContact O-CB 3.3Å; S237-Y241 PolarHBondContact O-N 2.91Å; E238-Y241 PolarHBondContact O-N 3.46Å; Y241-Q244 PolarHBondContact O-N 2.82Å; Y241-A245 WeakPolarHBondContact O-CB 3.38Å; Y241-A245 PolarHBondContact O-N 3.49Å
242K90.8Very high90.7Very high119 Ų119100.6 Ų100.652%0.51751%0.506SS..Hα-helixtrans-64.9-39.9178.2-75.1166178.6157.50111.9E238 L239 A245 A246E238-K242 VanDerWaalsContact O-CB 3.27Å; E238-K242 WeakPolarHBondContact O-CB 3.15Å; E238-K242 VanDerWaalsContact O-CG 3.25Å; E238-K242 WeakPolarHBondContact O-CG 3.27Å; E238-K242 PolarHBondContact O-N 3.48Å; E238-K242 IonicContact OE2-NZ 3.31Å; E238-K242 PolarHBondContact OE2-NZ 2.94Å; L239-K242 PolarHBondContact O-N 2.84Å; K242-A245 PolarHBondContact O-N 2.85Å; K242-A246 WeakPolarHBondContact O-CB 3.14Å; K242-A246 PolarHBondContact O-N 3.44Å
243L89.8Confident90.5Very high94 Ų94105.8 Ų105.849%0.49252%0.518SS..Hα-helixtrans-68.3-39.2178.1-175.3145.3000110.4L239 A240 A246 K247L239-L243 WeakPolarHBondContact O-CA 3.18Å; L239-L243 WeakPolarHBondContact O-CB 3.29Å; L239-L243 PolarHBondContact O-N 3.27Å; A240-L243 PolarHBondContact O-N 3.47Å; L243-A246 PolarHBondContact O-N 2.77Å; L243-K247 HydrophobicContact CD2-CD 3.84Å; L243-K247 VanDerWaalsContact CD2-CE 3.48Å; L243-K247 HydrophobicContact CD2-CG 4.31Å; L243-K247 WeakPolarHBondContact O-CB 3.34Å; L243-K247 WeakPolarHBondContact O-CG 3.44Å; L243-K247 PolarHBondContact O-N 2.94Å
244Q88Confident90.4Very high105 Ų105106.8 Ų106.849%0.49152%0.519SS..Hα-helixtrans-65.8-44.7173-16669-1000111.3A240 Y241 A246 K247 E248A240-Q244 VanDerWaalsContact O-CB 3.31Å; A240-Q244 WeakPolarHBondContact O-CB 3.31Å; A240-Q244 PolarHBondContact O-N 3.31Å; Y241-Q244 PolarHBondContact O-N 2.82Å; Q244-A246 VanDerWaalsContact C-N 3.31Å; Q244-A246 PolarHBondContact O-N 2.95Å; Q244-K247 PolarHBondContact O-N 2.86Å; Q244-E248 PolarHBondContact O-N 3.37Å
245A91.7Very high90.1Very high37 Ų37104.9 Ų104.931%0.30652%0.517SS..Hα-helixtrans-61.7-38.1173.700000112.4Y241 K242 R249Y241-A245 WeakPolarHBondContact O-CB 3.38Å; Y241-A245 PolarHBondContact O-N 3.49Å; K242-A245 PolarHBondContact O-N 2.85Å; A245-R249 WeakPolarHBondContact O-CB 3.36Å; A245-R249 VanDerWaalsContact O-CG 3.3Å; A245-R249 WeakPolarHBondContact O-CG 3.24Å; A245-R249 PolarHBondContact O-N 2.83Å
246A92.5Very high90Very high52 Ų52108.2 Ų108.243%0.4353%0.525SS..Hα-helixtrans-70.5-39.217700000112.1K242 L243 Q244 R249 Q250K242-A246 WeakPolarHBondContact O-CB 3.14Å; K242-A246 PolarHBondContact O-N 3.44Å; L243-A246 PolarHBondContact O-N 2.77Å; Q244-A246 VanDerWaalsContact C-N 3.31Å; Q244-A246 PolarHBondContact O-N 2.95Å; A246-R249 CarbonylContact O-C 3.55Å; A246-R249 PolarHBondContact O-N 3.5Å; A246-Q250 VanDerWaalsContact O-CB 3.32Å; A246-Q250 WeakPolarHBondContact O-CB 3.46Å; A246-Q250 PolarHBondContact O-N 3.41Å
247K92.1Very high89.8Confident103 Ų103105.3 Ų105.345%0.44852%0.516SS..Hα-helixtrans-60.4-46.3172.2-82.4179.7174.7172.50111.1L243 Q244 Q250 K251L243-K247 HydrophobicContact CD2-CD 3.84Å; L243-K247 VanDerWaalsContact CD2-CE 3.48Å; L243-K247 HydrophobicContact CD2-CG 4.31Å; L243-K247 WeakPolarHBondContact O-CB 3.34Å; L243-K247 WeakPolarHBondContact O-CG 3.44Å; L243-K247 PolarHBondContact O-N 2.94Å; Q244-K247 PolarHBondContact O-N 2.86Å; K247-Q250 WeakPolarHBondContact O-CB 3.41Å; K247-Q250 PolarHBondContact O-N 2.81Å; K247-K251 WeakPolarHBondContact O-CG 3.47Å; K247-K251 PolarHBondContact O-N 3.03Å
248E90.6Very high89.5Confident80 Ų80105 Ų10537%0.37451%0.508SS..Hα-helixtrans-64.3-42.9176-69.6-54.1142.200111.6Q244 Q250 K251 I252Q244-E248 PolarHBondContact O-N 3.37Å; E248-Q250 VanDerWaalsContact C-N 3.31Å; E248-Q250 PolarHBondContact O-N 3.22Å; E248-K251 WeakPolarHBondContact O-CB 3.27Å; E248-K251 PolarHBondContact O-N 3.04Å; E248-K251 IonicContact OE1-NZ 3.74Å; E248-K251 PolarHBondContact OE1-NZ 3.42Å; E248-K251 IonicContact OE2-NZ 3.63Å; E248-I252 VanDerWaalsContact O-CG1 3.31Å; E248-I252 WeakPolarHBondContact O-CG1 3.43Å; E248-I252 PolarHBondContact O-N 3.46Å
249R91.1Very high89Confident188 Ų188104.7 Ų104.771%0.70951%0.509SS*.Hα-helixtrans-61.1-37.3172-76176.7-178.8174.50.8113.1A245 A246 I252 R253A245-R249 WeakPolarHBondContact O-CB 3.36Å; A245-R249 VanDerWaalsContact O-CG 3.3Å; A245-R249 WeakPolarHBondContact O-CG 3.24Å; A245-R249 PolarHBondContact O-N 2.83Å; A246-R249 CarbonylContact O-C 3.55Å; A246-R249 PolarHBondContact O-N 3.5Å; R249-I252 PolarHBondContact O-N 2.88Å; R249-R253 WeakPolarHBondContact O-CB 3.42Å; R249-R253 PolarHBondContact O-N 3.49Å
250Q88.9Confident88.7Confident131 Ų131103.2 Ų103.261%0.61250%0.502SS*.Hα-helixtrans-64.6-45.3176.1-177.5-177.73.200110A246 K247 E248 R253 T254A246-Q250 VanDerWaalsContact O-CB 3.32Å; A246-Q250 WeakPolarHBondContact O-CB 3.46Å; A246-Q250 PolarHBondContact O-N 3.41Å; K247-Q250 WeakPolarHBondContact O-CB 3.41Å; K247-Q250 PolarHBondContact O-N 2.81Å; E248-Q250 VanDerWaalsContact C-N 3.31Å; E248-Q250 PolarHBondContact O-N 3.22Å; Q250-R253 PolarHBondContact O-N 2.74Å; Q250-T254 WeakPolarHBondContact O-CB 3.01Å; Q250-T254 PolarHBondContact O-N 2.99Å; Q250-T254 PolarHBondContact O-OG1 2.8Å
251K91.4Very high88.4Confident118 Ų118103.8 Ų103.851%0.51350%0.496SS..Hα-helixtrans-58.7-49.2174.1-69173.7-172.8170.90111.2K247 E248 R253 T254 E255K247-K251 WeakPolarHBondContact O-CG 3.47Å; K247-K251 PolarHBondContact O-N 3.03Å; E248-K251 WeakPolarHBondContact O-CB 3.27Å; E248-K251 PolarHBondContact O-N 3.04Å; E248-K251 IonicContact OE1-NZ 3.74Å; E248-K251 PolarHBondContact OE1-NZ 3.42Å; E248-K251 IonicContact OE2-NZ 3.63Å; K251-R253 VanDerWaalsContact C-N 3.34Å; K251-R253 PolarHBondContact O-N 3.21Å; K251-T254 PolarHBondContact O-N 2.97Å; K251-E255 WeakPolarHBondContact O-CG 3.22Å; K251-E255 PolarHBondContact O-N 3.15Å
252I89.5Confident88.1Confident94 Ų9498.9 Ų98.948%0.48248%0.484SS..Hα-helixtrans-57-48.3177-66.2165.7000110.4E248 R249 T254 E255 E256E248-I252 VanDerWaalsContact O-CG1 3.31Å; E248-I252 WeakPolarHBondContact O-CG1 3.43Å; E248-I252 PolarHBondContact O-N 3.46Å; R249-I252 PolarHBondContact O-N 2.88Å; I252-T254 PolarHBondContact O-N 3.01Å; I252-E255 PolarHBondContact O-N 3.31Å; I252-E256 HydrophobicContact CG2-CG 4.31Å; I252-E256 WeakPolarHBondContact O-CG 3.42Å; I252-E256 PolarHBondContact O-N 2.94Å
253R88.8Confident87.8Confident175 Ų17598.8 Ų98.866%0.6649%0.486SS*.Hα-helixtrans-63.4-39.4178.3-178.1178.6-70.2178-3112.3R249 Q250 K251 E255 E256 V257R249-R253 WeakPolarHBondContact O-CB 3.42Å; R249-R253 PolarHBondContact O-N 3.49Å; Q250-R253 PolarHBondContact O-N 2.74Å; K251-R253 VanDerWaalsContact C-N 3.34Å; K251-R253 PolarHBondContact O-N 3.21Å; R253-E255 VanDerWaalsContact C-N 3.3Å; R253-E256 PolarHBondContact O-N 3.29Å; R253-V257 HydrophobicContact CG-CG2 4.23Å; R253-V257 WeakPolarHBondContact O-CB 3.4Å; R253-V257 VanDerWaalsContact O-CG2 3.28Å; R253-V257 WeakPolarHBondContact O-CG2 3.47Å; R253-V257 PolarHBondContact O-N 3.43Å
254T87.3Confident87.5Confident70 Ų70102.4 Ų102.443%0.42949%0.493SS..Hα-helixtrans-60.9-43.6175.5-65.70000110.2Q250 K251 I252 V257 N258Q250-T254 WeakPolarHBondContact O-CB 3.01Å; Q250-T254 PolarHBondContact O-N 2.99Å; Q250-T254 PolarHBondContact O-OG1 2.8Å; K251-T254 PolarHBondContact O-N 2.97Å; I252-T254 PolarHBondContact O-N 3.01Å; T254-V257 PolarHBondContact O-N 3.46Å; T254-N258 WeakPolarHBondContact O-CB 3.36Å; T254-N258 PolarHBondContact O-N 2.86Å; T254-N258 PolarHBondContact O-ND2 3.47Å; T254-N258 PolarHBondContact O-OD1 3.5Å
255E86.6Confident87.4Confident119 Ų119106 Ų10656%0.55650%0.502SS*.Hα-helixtrans-65.5-41.5174.4-64.2-57163.700112.4K251 I252 R253 V257 N258 I259K251-E255 WeakPolarHBondContact O-CG 3.22Å; K251-E255 PolarHBondContact O-N 3.15Å; I252-E255 PolarHBondContact O-N 3.31Å; R253-E255 VanDerWaalsContact C-N 3.3Å; E255-V257 PolarHBondContact O-N 2.98Å; E255-N258 WeakPolarHBondContact O-CB 3.43Å; E255-N258 PolarHBondContact O-N 3.32Å; E255-I259 VanDerWaalsContact O-CG1 3.31Å; E255-I259 WeakPolarHBondContact O-CG1 3.37Å; E255-I259 PolarHBondContact O-N 2.81Å
256E87.5Confident87.1Confident115 Ų115110.3 Ų110.354%0.53751%0.514SS..Hα-helixtrans-61.7-43.2174.5-72.9172.6170.700112.5I252 R253 N258 I259 N260I252-E256 HydrophobicContact CG2-CG 4.31Å; I252-E256 WeakPolarHBondContact O-CG 3.42Å; I252-E256 PolarHBondContact O-N 2.94Å; R253-E256 PolarHBondContact O-N 3.29Å; E256-N258 VanDerWaalsContact C-N 3.33Å; E256-I259 WeakPolarHBondContact O-CB 3.24Å; E256-I259 PolarHBondContact O-N 2.79Å; E256-N260 PolarHBondContact O-N 3.1Å
257V87.6Confident86.7Confident72 Ų72112.3 Ų112.344%0.43652%0.515SS..Hα-helixtrans-65.4-38.9175.4169.80000110.2R253 T254 E255 I259 N260 I261R253-V257 HydrophobicContact CG-CG2 4.23Å; R253-V257 WeakPolarHBondContact O-CB 3.4Å; R253-V257 VanDerWaalsContact O-CG2 3.28Å; R253-V257 WeakPolarHBondContact O-CG2 3.47Å; R253-V257 PolarHBondContact O-N 3.43Å; T254-V257 PolarHBondContact O-N 3.46Å; E255-V257 PolarHBondContact O-N 2.98Å; V257-I259 VanDerWaalsContact C-N 3.34Å; V257-I259 PolarHBondContact O-N 3.5Å; V257-N260 PolarHBondContact O-N 2.95Å; V257-I261 HydrophobicContact CG1-CD1 3.74Å; V257-I261 HydrophobicContact CG1-CG1 4.19Å; V257-I261 WeakPolarHBondContact O-CB 3.47Å; V257-I261 VanDerWaalsContact O-CG1 3.24Å; V257-I261 WeakPolarHBondContact O-CG1 3.47Å; V257-I261 PolarHBondContact O-N 2.94Å
258N84.2Confident86.3Confident72 Ų72111.3 Ų111.339%0.38551%0.513SS..Hα-helixtrans-61.3-43.6173.8-71.2-20.8000111.1T254 E255 E256 N260 I261 V262T254-N258 WeakPolarHBondContact O-CB 3.36Å; T254-N258 PolarHBondContact O-N 2.86Å; T254-N258 PolarHBondContact O-ND2 3.47Å; T254-N258 PolarHBondContact O-OD1 3.5Å; E255-N258 WeakPolarHBondContact O-CB 3.43Å; E255-N258 PolarHBondContact O-N 3.32Å; E256-N258 VanDerWaalsContact C-N 3.33Å; N258-N260 PolarHBondContact O-N 2.87Å; N258-I261 PolarHBondContact O-N 2.89Å; N258-V262 WeakPolarHBondContact O-CG2 3.33Å; N258-V262 PolarHBondContact O-N 3.42Å
259I82.1Confident86.1Confident100 Ų100112 Ų11251%0.51352%0.516SS..Hα-helixtrans-58.8-48.1173.5-66.5164000110E255 E256 V257 I261 V262 E263E255-I259 VanDerWaalsContact O-CG1 3.31Å; E255-I259 WeakPolarHBondContact O-CG1 3.37Å; E255-I259 PolarHBondContact O-N 2.81Å; E256-I259 WeakPolarHBondContact O-CB 3.24Å; E256-I259 PolarHBondContact O-N 2.79Å; V257-I259 VanDerWaalsContact C-N 3.34Å; V257-I259 PolarHBondContact O-N 3.5Å; I259-I261 PolarHBondContact O-N 2.9Å; I259-V262 PolarHBondContact O-N 2.91Å; I259-V262 VanDerWaalsContact O-N 3.15Å; I259-E263 WeakPolarHBondContact O-CG 3.33Å; I259-E263 PolarHBondContact O-N 3.18Å
260N82.7Confident85.6Confident82 Ų82108.2 Ų108.244%0.43951%0.509SS..Hα-helixtrans-64.1-38.4179.4-160.1-77.4000112.5E256 V257 N258 V262 E263 R264E256-N260 PolarHBondContact O-N 3.1Å; V257-N260 PolarHBondContact O-N 2.95Å; N258-N260 PolarHBondContact O-N 2.87Å; N260-V262 VanDerWaalsContact C-N 3.32Å; N260-V262 PolarHBondContact O-N 3.34Å; N260-E263 PolarHBondContact O-N 3.35Å; N260-R264 VanDerWaalsContact O-CB 3.23Å; N260-R264 WeakPolarHBondContact O-CB 3.28Å; N260-R264 WeakPolarHBondContact O-CG 3.31Å; N260-R264 PolarHBondContact O-N 3.43Å; N260-R264 WeakPolarHBondContact OD1-CG 3.33Å
261I82.5Confident85.2Confident72 Ų72106.8 Ų106.837%0.36950%0.502SS..Hα-helixtrans-63-41.3174.6-71.7166.9000110V257 N258 I259 R265V257-I261 HydrophobicContact CG1-CD1 3.74Å; V257-I261 HydrophobicContact CG1-CG1 4.19Å; V257-I261 WeakPolarHBondContact O-CB 3.47Å; V257-I261 VanDerWaalsContact O-CG1 3.24Å; V257-I261 WeakPolarHBondContact O-CG1 3.47Å; V257-I261 PolarHBondContact O-N 2.94Å; N258-I261 PolarHBondContact O-N 2.89Å; I259-I261 PolarHBondContact O-N 2.9Å; I261-R265 HydrophobicContact CG2-CG 4.25Å; I261-R265 WeakPolarHBondContact O-CB 3.42Å; I261-R265 VanDerWaalsContact O-CG 3.23Å; I261-R265 WeakPolarHBondContact O-CG 3.47Å; I261-R265 PolarHBondContact O-N 2.78Å
262V84.4Confident84.7Confident78 Ų78107 Ų10747%0.47351%0.505SS..Hα-helixtrans-65.4-43.3176.6172.60000110.9N258 I259 N260 K266N258-V262 WeakPolarHBondContact O-CG2 3.33Å; N258-V262 PolarHBondContact O-N 3.42Å; I259-V262 PolarHBondContact O-N 2.91Å; I259-V262 VanDerWaalsContact O-N 3.15Å; N260-V262 VanDerWaalsContact C-N 3.32Å; N260-V262 PolarHBondContact O-N 3.34Å; V262-K266 WeakPolarHBondContact O-CG 3.37Å; V262-K266 PolarHBondContact O-N 2.86Å
263E83.9Confident84.3Confident118 Ų118108.2 Ų108.255%0.55151%0.507SS*.Hα-helixtrans-63.2-48.6174.9-71.2178.3166.500112.1I259 N260 R265 K266 Q267I259-E263 WeakPolarHBondContact O-CG 3.33Å; I259-E263 PolarHBondContact O-N 3.18Å; N260-E263 PolarHBondContact O-N 3.35Å; E263-R265 PolarHBondContact O-N 3.31Å; E263-K266 WeakPolarHBondContact O-CB 3.15Å; E263-K266 PolarHBondContact O-N 2.91Å; E263-Q267 WeakPolarHBondContact O-CB 3.49Å; E263-Q267 PolarHBondContact O-N 3.44Å
264R84.7Confident83.8Confident169 Ų169101.6 Ų101.664%0.63849%0.493SS*.Hα-helixtrans-61.4-42.1176.2-79.3-81.1-175.4133.2-1.6111.9N260 K266 Q267 I268N260-R264 VanDerWaalsContact O-CB 3.23Å; N260-R264 WeakPolarHBondContact O-CB 3.28Å; N260-R264 WeakPolarHBondContact O-CG 3.31Å; N260-R264 PolarHBondContact O-N 3.43Å; N260-R264 WeakPolarHBondContact OD1-CG 3.33Å; R264-K266 VanDerWaalsContact C-N 3.35Å; R264-Q267 PolarHBondContact O-N 3.31Å; R264-I268 WeakPolarHBondContact O-CB 3.24Å; R264-I268 VanDerWaalsContact O-CG1 3.29Å; R264-I268 WeakPolarHBondContact O-CG1 3.23Å; R264-I268 PolarHBondContact O-N 2.89Å
265R85.4Confident83.4Confident180 Ų180102.6 Ų102.668%0.67950%0.495SS*.Hα-helixtrans-61.3-44174.9-82.8-179.9174.7-172.4-0.6111.1I261 E263 Q267 I268 E269I261-R265 HydrophobicContact CG2-CG 4.25Å; I261-R265 WeakPolarHBondContact O-CB 3.42Å; I261-R265 VanDerWaalsContact O-CG 3.23Å; I261-R265 WeakPolarHBondContact O-CG 3.47Å; I261-R265 PolarHBondContact O-N 2.78Å; E263-R265 PolarHBondContact O-N 3.31Å; R265-Q267 VanDerWaalsContact C-N 3.31Å; R265-Q267 PolarHBondContact O-N 2.87Å; R265-I268 PolarHBondContact O-N 3Å; R265-E269 WeakPolarHBondContact O-CB 3.36Å; R265-E269 PolarHBondContact O-N 2.88Å
266K86.3Confident83.2Confident129 Ų129101 Ų10156%0.56149%0.49SS*.Hα-helixtrans-62.1-40.3174-75.8-179.1178.3-178.40111.6V262 E263 R264 E269 I270V262-K266 WeakPolarHBondContact O-CG 3.37Å; V262-K266 PolarHBondContact O-N 2.86Å; E263-K266 WeakPolarHBondContact O-CB 3.15Å; E263-K266 PolarHBondContact O-N 2.91Å; R264-K266 VanDerWaalsContact C-N 3.35Å; K266-E269 PolarHBondContact O-N 3.48Å; K266-I270 WeakPolarHBondContact O-CD1 3.47Å; K266-I270 VanDerWaalsContact O-CG1 3.22Å; K266-I270 WeakPolarHBondContact O-CG1 3.39Å; K266-I270 PolarHBondContact O-N 2.89Å
267Q83.5Confident82.7Confident94 Ų9499.2 Ų99.244%0.43949%0.489SS..Hα-helixtrans-65.7-46177.6-172.162.223.400111.9E263 R264 R265 E269 I270 E271E263-Q267 WeakPolarHBondContact O-CB 3.49Å; E263-Q267 PolarHBondContact O-N 3.44Å; R264-Q267 PolarHBondContact O-N 3.31Å; R265-Q267 VanDerWaalsContact C-N 3.31Å; R265-Q267 PolarHBondContact O-N 2.87Å; Q267-E269 VanDerWaalsContact C-N 3.31Å; Q267-E269 PolarHBondContact O-N 3.46Å; Q267-I270 PolarHBondContact O-N 2.93Å; Q267-E271 WeakPolarHBondContact CG-OE1 3.49Å; Q267-E271 PolarHBondContact NE2-OE1 3.28Å; Q267-E271 WeakPolarHBondContact O-CB 3.09Å; Q267-E271 WeakPolarHBondContact O-CG 3.16Å; Q267-E271 PolarHBondContact O-N 3.03Å
268I84.5Confident82.3Confident82 Ų8299.4 Ų99.442%0.42149%0.49SS..Hα-helixtrans-60.5-42.7173.7-67.6165.6000109.9R264 R265 I270 E271 E272R264-I268 WeakPolarHBondContact O-CB 3.24Å; R264-I268 VanDerWaalsContact O-CG1 3.29Å; R264-I268 WeakPolarHBondContact O-CG1 3.23Å; R264-I268 PolarHBondContact O-N 2.89Å; R265-I268 PolarHBondContact O-N 3Å; I268-I270 VanDerWaalsContact C-N 3.33Å; I268-I270 PolarHBondContact O-N 3.3Å; I268-E271 CarbonylContact O-C 3.56Å; I268-E271 PolarHBondContact O-N 3.39Å; I268-E272 HydrophobicContact CG2-CG 3.98Å; I268-E272 WeakPolarHBondContact CG2-OE1 3.29Å; I268-E272 VanDerWaalsContact O-CB 3.3Å; I268-E272 WeakPolarHBondContact O-CB 3.42Å; I268-E272 VanDerWaalsContact O-CG 3.3Å; I268-E272 WeakPolarHBondContact O-CG 3.21Å; I268-E272 PolarHBondContact O-N 2.92Å
269E84.8Confident82.1Confident94 Ų94101.2 Ų101.244%0.43950%0.496SS..Hα-helixtrans-63.1-39.1177.5-170.1-171.2162.400111.9R265 K266 Q267 K273R265-E269 WeakPolarHBondContact O-CB 3.36Å; R265-E269 PolarHBondContact O-N 2.88Å; K266-E269 PolarHBondContact O-N 3.48Å; Q267-E269 VanDerWaalsContact C-N 3.31Å; Q267-E269 PolarHBondContact O-N 3.46Å; E269-K273 WeakPolarHBondContact O-CB 3.43Å; E269-K273 VanDerWaalsContact O-CG 3.26Å; E269-K273 WeakPolarHBondContact O-CG 3.45Å; E269-K273 PolarHBondContact O-N 3.47Å; E269-K273 WeakPolarHBondContact OE1-CE 3.44Å; E269-K273 IonicContact OE1-NZ 2.67Å; E269-K273 PolarHBondContact OE1-NZ 2.86Å
270I82Confident82.2Confident108 Ų108102.7 Ų102.755%0.55450%0.499SS*.Hα-helixtrans-65.8-44174.2-68.9163.5000110.4K266 Q267 I268 K273 G274K266-I270 WeakPolarHBondContact O-CD1 3.47Å; K266-I270 VanDerWaalsContact O-CG1 3.22Å; K266-I270 WeakPolarHBondContact O-CG1 3.39Å; K266-I270 PolarHBondContact O-N 2.89Å; Q267-I270 PolarHBondContact O-N 2.93Å; I268-I270 VanDerWaalsContact C-N 3.33Å; I268-I270 PolarHBondContact O-N 3.3Å; I270-K273 PolarHBondContact O-N 3.07Å; I270-G274 PolarHBondContact O-N 3.26Å
271E79Confident82Confident101 Ų101103.9 Ų103.947%0.47251%0.506SS..Hα-helixtrans-66.7-43.9178.4-75.1172.6-164.700112.1Q267 I268 K273 G274 I275Q267-E271 WeakPolarHBondContact CG-OE1 3.49Å; Q267-E271 PolarHBondContact NE2-OE1 3.28Å; Q267-E271 WeakPolarHBondContact O-CB 3.09Å; Q267-E271 WeakPolarHBondContact O-CG 3.16Å; Q267-E271 PolarHBondContact O-N 3.03Å; I268-E271 CarbonylContact O-C 3.56Å; I268-E271 PolarHBondContact O-N 3.39Å; E271-K273 PolarHBondContact O-N 2.87Å; E271-G274 CarbonylContact O-C 3.59Å; E271-G274 WeakPolarHBondContact O-CA 3.44Å; E271-G274 PolarHBondContact O-N 3.34Å; E271-I275 WeakPolarHBondContact O-CG1 3.37Å; E271-I275 PolarHBondContact O-N 3.43Å
272E81.3Confident81.5Confident122 Ų122106.1 Ų106.157%0.5752%0.516SS*.Hα-helixtrans-60.6-43.6174.6-78178.1172.800111I268 G274 I275 L276I268-E272 HydrophobicContact CG2-CG 3.98Å; I268-E272 WeakPolarHBondContact CG2-OE1 3.29Å; I268-E272 VanDerWaalsContact O-CB 3.3Å; I268-E272 WeakPolarHBondContact O-CB 3.42Å; I268-E272 VanDerWaalsContact O-CG 3.3Å; I268-E272 WeakPolarHBondContact O-CG 3.21Å; I268-E272 PolarHBondContact O-N 2.92Å; E272-G274 VanDerWaalsContact C-N 3.28Å; E272-G274 PolarHBondContact O-N 2.9Å; E272-I275 PolarHBondContact O-N 2.92Å; E272-L276 WeakPolarHBondContact O-CB 3.4Å; E272-L276 PolarHBondContact O-N 2.93Å
273K81.6Confident81.4Confident121 Ų121105.1 Ų105.153%0.52651%0.508SS..Hα-helixtrans-62.2-38.7172.2-75.6175.7-172.5166.50111.3E269 I270 E271 C277E269-K273 WeakPolarHBondContact O-CB 3.43Å; E269-K273 VanDerWaalsContact O-CG 3.26Å; E269-K273 WeakPolarHBondContact O-CG 3.45Å; E269-K273 PolarHBondContact O-N 3.47Å; E269-K273 WeakPolarHBondContact OE1-CE 3.44Å; E269-K273 IonicContact OE1-NZ 2.67Å; E269-K273 PolarHBondContact OE1-NZ 2.86Å; I270-K273 PolarHBondContact O-N 3.07Å; E271-K273 PolarHBondContact O-N 2.87Å; K273-C277 PolarHBondContact O-N 3.27Å; K273-C277 PolarHBondContact O-SG 3.12Å
274G79Confident81Confident35 Ų35101.6 Ų101.636%0.36150%0.499SS..Hα-helixtrans-61.1-49.2173.200000112.6I270 E271 E272 L276 C277 T278I270-G274 PolarHBondContact O-N 3.26Å; E271-G274 CarbonylContact O-C 3.59Å; E271-G274 WeakPolarHBondContact O-CA 3.44Å; E271-G274 PolarHBondContact O-N 3.34Å; E272-G274 VanDerWaalsContact C-N 3.28Å; E272-G274 PolarHBondContact O-N 2.9Å; G274-L276 PolarHBondContact O-N 3.23Å; G274-C277 WeakPolarHBondContact O-CB 3.26Å; G274-C277 PolarHBondContact O-N 3.49Å; G274-T278 WeakPolarHBondContact O-CG2 3.31Å; G274-T278 PolarHBondContact O-N 2.95Å; G274-T278 PolarHBondContact O-OG1 3.48Å
275I77.7Confident80.9Confident91 Ų9198.4 Ų98.447%0.46750%0.498SS..Hα-helixtrans-60-48177.2-67.7166.2000109.5E271 E272 C277 T278 E279E271-I275 WeakPolarHBondContact O-CG1 3.37Å; E271-I275 PolarHBondContact O-N 3.43Å; E272-I275 PolarHBondContact O-N 2.92Å; I275-C277 VanDerWaalsContact C-N 3.29Å; I275-C277 PolarHBondContact O-N 2.96Å; I275-T278 VanDerWaalsContact CA-OG1 3.3Å; I275-T278 WeakPolarHBondContact CA-OG1 3.46Å; I275-T278 CarbonylContact O-C 3.6Å; I275-T278 WeakPolarHBondContact O-CA 3.34Å; I275-T278 PolarHBondContact O-N 3.3Å; I275-T278 PolarHBondContact O-OG1 3.42Å; I275-E279 HydrophobicContact CG2-CG 4.04Å; I275-E279 WeakPolarHBondContact O-CB 3.26Å; I275-E279 PolarHBondContact O-N 2.93Å
276L82.1Confident80.6Confident87 Ų8793.9 Ų93.946%0.45549%0.49SS..Hα-helixtrans-58.8-40.2178.2-167.2106.3000112.2E272 G274 K280E272-L276 WeakPolarHBondContact O-CB 3.4Å; E272-L276 PolarHBondContact O-N 2.93Å; G274-L276 PolarHBondContact O-N 3.23Å; L276-K280 HydrophobicContact CD2-CD 4.41Å; L276-K280 WeakPolarHBondContact O-CB 3.39Å; L276-K280 VanDerWaalsContact O-CG 3.29Å; L276-K280 WeakPolarHBondContact O-CG 3.45Å; L276-K280 PolarHBondContact O-N 3.49Å
277C77.4Confident80.2Confident77 Ų7794.7 Ų94.752%0.5249%0.49SS..Hα-helixtrans-63.5-43.6172.7-78.10000111.6K273 G274 I275 N281K273-C277 PolarHBondContact O-N 3.27Å; K273-C277 PolarHBondContact O-SG 3.12Å; G274-C277 WeakPolarHBondContact O-CB 3.26Å; G274-C277 PolarHBondContact O-N 3.49Å; I275-C277 VanDerWaalsContact C-N 3.29Å; I275-C277 PolarHBondContact O-N 2.96Å; C277-N281 WeakPolarHBondContact O-CB 3.24Å; C277-N281 PolarHBondContact O-N 3.47Å
278T79.2Confident80.1Confident75 Ų7598.4 Ų98.446%0.4650%0.5SS..Hα-helixtrans-68.5-39177.458.70000113.1G274 I275 N281 M282G274-T278 WeakPolarHBondContact O-CG2 3.31Å; G274-T278 PolarHBondContact O-N 2.95Å; G274-T278 PolarHBondContact O-OG1 3.48Å; I275-T278 VanDerWaalsContact CA-OG1 3.3Å; I275-T278 WeakPolarHBondContact CA-OG1 3.46Å; I275-T278 CarbonylContact O-C 3.6Å; I275-T278 WeakPolarHBondContact O-CA 3.34Å; I275-T278 PolarHBondContact O-N 3.3Å; I275-T278 PolarHBondContact O-OG1 3.42Å; T278-N281 CarbonylContact O-C 3.58Å; T278-N281 WeakPolarHBondContact O-CB 3.29Å; T278-N281 PolarHBondContact O-N 2.89Å; T278-M282 WeakPolarHBondContact O-CB 3.21Å; T278-M282 WeakPolarHBondContact O-CG 3.35Å; T278-M282 PolarHBondContact O-N 3.35Å
279E80.7Confident80.1Confident111 Ų11197.3 Ų97.352%0.51950%0.498SS..Hα-helixtrans-63.4-45.5174.7-77.5-173.1158.300110.4I275 N281 M282 D283I275-E279 HydrophobicContact CG2-CG 4.04Å; I275-E279 WeakPolarHBondContact O-CB 3.26Å; I275-E279 PolarHBondContact O-N 2.93Å; E279-N281 VanDerWaalsContact C-N 3.28Å; E279-N281 PolarHBondContact O-N 2.97Å; E279-M282 CarbonylContact O-C 3.52Å; E279-M282 PolarHBondContact O-N 2.91Å; E279-D283 WeakPolarHBondContact O-CB 3.44Å; E279-D283 PolarHBondContact O-N 3.19Å
280K83.4Confident80Confident131 Ų13195.2 Ų95.257%0.5750%0.497SS*.Hα-helixtrans-60.9-38174-75.4179.7178.4-179.30112.2L276 A284L276-K280 HydrophobicContact CD2-CD 4.41Å; L276-K280 WeakPolarHBondContact O-CB 3.39Å; L276-K280 VanDerWaalsContact O-CG 3.29Å; L276-K280 WeakPolarHBondContact O-CG 3.45Å; L276-K280 PolarHBondContact O-N 3.49Å; K280-A284 WeakPolarHBondContact O-CB 3.36Å; K280-A284 PolarHBondContact O-N 3.3Å
281N79.3Confident80.1Confident107 Ų10795.9 Ų95.957%0.57250%0.498SS*.Hα-helixtrans-68-41.2174.3-80.6-12.7000112.2C277 T278 E279 A284 T285C277-N281 WeakPolarHBondContact O-CB 3.24Å; C277-N281 PolarHBondContact O-N 3.47Å; T278-N281 CarbonylContact O-C 3.58Å; T278-N281 WeakPolarHBondContact O-CB 3.29Å; T278-N281 PolarHBondContact O-N 2.89Å; E279-N281 VanDerWaalsContact C-N 3.28Å; E279-N281 PolarHBondContact O-N 2.97Å; N281-A284 PolarHBondContact O-N 2.8Å; N281-T285 WeakPolarHBondContact O-CB 3.32Å; N281-T285 PolarHBondContact O-N 2.72Å; N281-T285 PolarHBondContact O-OG1 3.5Å
282M72.7Confident80.3Confident119 Ų11994 Ų9459%0.58650%0.5SS*.Hα-helixtrans-66.7-40.3176.1-71.7-88.4169.600111.2T278 E279 T285 V286 R287T278-M282 WeakPolarHBondContact O-CB 3.21Å; T278-M282 WeakPolarHBondContact O-CG 3.35Å; T278-M282 PolarHBondContact O-N 3.35Å; E279-M282 CarbonylContact O-C 3.52Å; E279-M282 PolarHBondContact O-N 2.91Å; M282-T285 PolarHBondContact O-N 2.9Å; M282-V286 WeakPolarHBondContact O-CA 3.41Å; M282-V286 VanDerWaalsContact O-CB 3.29Å; M282-V286 WeakPolarHBondContact O-CB 3.28Å; M282-V286 PolarHBondContact O-N 3.45Å; M282-V286 HydrophobicContact SD-CG2 4.28Å; M282-R287 PolarHBondContact O-N 2.94Å; M282-R287 VanDerWaalsContact O-N 3.15Å
283D80.5Confident80.4Confident56 Ų5694.2 Ų94.230%0.29950%0.501SS..Iπ-helixtrans-61.6-45.6174.2-79.3-14.4000110.5E279 R287 R288E279-D283 WeakPolarHBondContact O-CB 3.44Å; E279-D283 PolarHBondContact O-N 3.19Å; D283-R287 PolarHBondContact O-N 3.17Å; D283-R287 WeakPolarHBondContact OD1-CD 3.27Å; D283-R287 IonicContact OD1-CZ 3.15Å; D283-R287 IonicContact OD1-NE 2.81Å; D283-R287 IonicContact OD1-NH1 2.74Å; D283-R287 PolarHBondContact OD1-NH1 3.39Å; D283-R287 IonicContact OD2-NH1 2.93Å; D283-R288 WeakPolarHBondContact O-CG 3.47Å; D283-R288 PolarHBondContact O-N 3.02Å
284A77.1Confident80.3Confident45 Ų4591 Ų9137%0.37250%0.497SS..Iπ-helixtrans-68.8-40.3178.200000113.4K280 N281K280-A284 WeakPolarHBondContact O-CB 3.36Å; K280-A284 PolarHBondContact O-N 3.3Å; N281-A284 PolarHBondContact O-N 2.8Å
285T80.9Confident80.6Confident102 Ų10296.3 Ų96.363%0.62651%0.507SS*.Iπ-helixtrans-91.4-32.1-170.6-48.40000113.2N281 M282 P289N281-T285 WeakPolarHBondContact O-CB 3.32Å; N281-T285 PolarHBondContact O-N 2.72Å; N281-T285 PolarHBondContact O-OG1 3.5Å; M282-T285 PolarHBondContact O-N 2.9Å; T285-P289 WeakPolarHBondContact O-CG 3.36Å
286V79.3Confident80.9Confident84 Ų8499.4 Ų99.451%0.50951%0.513SS..Iπ-helixtrans-113.2-53.3-173.5-174.30000110.9M282 P289 A290M282-V286 WeakPolarHBondContact O-CA 3.41Å; M282-V286 VanDerWaalsContact O-CB 3.29Å; M282-V286 WeakPolarHBondContact O-CB 3.28Å; M282-V286 PolarHBondContact O-N 3.45Å; M282-V286 HydrophobicContact SD-CG2 4.28Å; V286-P289 WeakPolarHBondContact O-CD 3.38Å; V286-P289 WeakPolarHBondContact O-CG 3.36Å; V286-A290 WeakPolarHBondContact O-CB 3.44Å; V286-A290 PolarHBondContact O-N 3.38Å; V286-A290 VanDerWaalsContact O-N 3.1Å
287R79.2Confident81Confident147 Ų147100.2 Ų100.256%0.55552%0.517SS*.Iπ-helixtrans-69-48.4-175.4-66.6-159.8177.6140.9-10.4112.6M282 D283 A290 E291M282-R287 PolarHBondContact O-N 2.94Å; M282-R287 VanDerWaalsContact O-N 3.15Å; D283-R287 PolarHBondContact O-N 3.17Å; D283-R287 WeakPolarHBondContact OD1-CD 3.27Å; D283-R287 IonicContact OD1-CZ 3.15Å; D283-R287 IonicContact OD1-NE 2.81Å; D283-R287 IonicContact OD1-NH1 2.74Å; D283-R287 PolarHBondContact OD1-NH1 3.39Å; D283-R287 IonicContact OD2-NH1 2.93Å; R287-A290 CarbonylContact O-C 3.57Å; R287-A290 PolarHBondContact O-N 3.32Å; R287-E291 VanDerWaalsContact O-CB 3.31Å; R287-E291 WeakPolarHBondContact O-CB 3.43Å; R287-E291 WeakPolarHBondContact O-CG 3.23Å; R287-E291 PolarHBondContact O-N 3.5Å
288R80.4Confident81.2Confident171 Ų171101.9 Ų101.965%0.64552%0.517SS*.Hα-helixtrans-57.5-47-179.8-72.2-178-161.9-167.13114D283 A292D283-R288 WeakPolarHBondContact O-CG 3.47Å; D283-R288 PolarHBondContact O-N 3.02Å; R288-A292 VanDerWaalsContact O-CB 3.24Å; R288-A292 WeakPolarHBondContact O-CB 3.37Å; R288-A292 PolarHBondContact O-N 3.21Å
289P84.3Confident81.4Confident59 Ų59102.4 Ų102.438%0.38351%0.514SS..Hα-helixtrans-68.5-37.4174.921.8-28.3000112.3T285 V286 A292 E293T285-P289 WeakPolarHBondContact O-CG 3.36Å; V286-P289 WeakPolarHBondContact O-CD 3.38Å; V286-P289 WeakPolarHBondContact O-CG 3.36Å; P289-A292 PolarHBondContact O-N 3.34Å; P289-E293 WeakPolarHBondContact O-CB 3.5Å; P289-E293 WeakPolarHBondContact O-CG 3.36Å; P289-E293 PolarHBondContact O-N 2.93Å
290A83.9Confident81.6Confident51 Ų51100.3 Ų100.342%0.42151%0.506SS..Hα-helixtrans-65.8-40.617700000112.7V286 R287 E293 A294V286-A290 WeakPolarHBondContact O-CB 3.44Å; V286-A290 PolarHBondContact O-N 3.38Å; V286-A290 VanDerWaalsContact O-N 3.1Å; R287-A290 CarbonylContact O-C 3.57Å; R287-A290 PolarHBondContact O-N 3.32Å; A290-E293 PolarHBondContact O-N 3.34Å; A290-A294 VanDerWaalsContact O-CB 3.28Å; A290-A294 WeakPolarHBondContact O-CB 3.41Å; A290-A294 PolarHBondContact O-N 3.5Å
291E83.6Confident81.6Confident122 Ų12296.8 Ų96.857%0.5750%0.501SS*.Hα-helixtrans-67.7-39.8174.3-74.7174.4-171.300111.1R287 E293 A294 Y295R287-E291 VanDerWaalsContact O-CB 3.31Å; R287-E291 WeakPolarHBondContact O-CB 3.43Å; R287-E291 WeakPolarHBondContact O-CG 3.23Å; R287-E291 PolarHBondContact O-N 3.5Å; E291-E293 VanDerWaalsContact C-N 3.35Å; E291-A294 PolarHBondContact O-N 3.13Å; E291-Y295 VanDerWaalsContact O-CB 3.26Å; E291-Y295 WeakPolarHBondContact O-CB 3.3Å; E291-Y295 PolarHBondContact O-N 2.99Å
292A82.6Confident81.8Confident62 Ų6296 Ų9651%0.51250%0.495SS..Hα-helixtrans-63.2-40.6173.300000111.7R288 P289 R296R288-A292 VanDerWaalsContact O-CB 3.24Å; R288-A292 WeakPolarHBondContact O-CB 3.37Å; R288-A292 PolarHBondContact O-N 3.21Å; P289-A292 PolarHBondContact O-N 3.34Å; A292-R296 VanDerWaalsContact O-CB 3.27Å; A292-R296 WeakPolarHBondContact O-CB 3.38Å; A292-R296 PolarHBondContact O-N 3.45Å
293E83Confident82.3Confident125 Ų12591.9 Ų91.958%0.58448%0.482SS*.Hα-helixtrans-67.7-42.7174.2-78.2-174.6173.100112.5P289 A290 E291 R296 L297P289-E293 WeakPolarHBondContact O-CB 3.5Å; P289-E293 WeakPolarHBondContact O-CG 3.36Å; P289-E293 PolarHBondContact O-N 2.93Å; A290-E293 PolarHBondContact O-N 3.34Å; E291-E293 VanDerWaalsContact C-N 3.35Å; E293-R296 PolarHBondContact O-N 2.98Å; E293-L297 WeakPolarHBondContact O-CB 3.5Å; E293-L297 WeakPolarHBondContact O-CG 3.26Å; E293-L297 PolarHBondContact O-N 3.24Å
294A81.1Confident82.5Confident54 Ų5496.4 Ų96.445%0.44650%0.496SS..Hα-helixtrans-63.1-45.1176.200000111.2A290 E291 L297 Q298A290-A294 VanDerWaalsContact O-CB 3.28Å; A290-A294 WeakPolarHBondContact O-CB 3.41Å; A290-A294 PolarHBondContact O-N 3.5Å; E291-A294 PolarHBondContact O-N 3.13Å; A294-L297 PolarHBondContact O-N 3.4Å; A294-Q298 WeakPolarHBondContact O-CB 3.35Å; A294-Q298 PolarHBondContact O-N 3.15Å
295Y85.3Confident82.6Confident147 Ų147103.1 Ų103.158%0.57651%0.512SS*.Hα-helixtrans-63-41.8174.5-174-101.2000111.4E291 Q298 Q299E291-Y295 VanDerWaalsContact O-CB 3.26Å; E291-Y295 WeakPolarHBondContact O-CB 3.3Å; E291-Y295 PolarHBondContact O-N 2.99Å; Y295-Q298 PolarHBondContact O-N 3.33Å; Y295-Q299 HydrophobicContact CD1-CG 4.1Å; Y295-Q299 HydrophobicContact CE1-CG 3.74Å; Y295-Q299 HydrophobicContact CE2-CG 4.32Å; Y295-Q299 WeakPolarHBondContact O-CB 3.36Å; Y295-Q299 VanDerWaalsContact O-CG 3.27Å; Y295-Q299 WeakPolarHBondContact O-CG 3.41Å; Y295-Q299 PolarHBondContact O-N 3.02Å; Y295-Q299 PolarHBondContact OH-NE2 2.88Å
296R83.5Confident82.6Confident155 Ų155101.1 Ų101.159%0.58550%0.502SS*.Hα-helixtrans-60.8-46.6174.5-168.4-172.481.2115.3-0.9111.4A292 E293 Q299 I300A292-R296 VanDerWaalsContact O-CB 3.27Å; A292-R296 WeakPolarHBondContact O-CB 3.38Å; A292-R296 PolarHBondContact O-N 3.45Å; E293-R296 PolarHBondContact O-N 2.98Å; R296-Q299 PolarHBondContact O-N 3.45Å; R296-I300 HydrophobicContact CG-CD1 3.97Å; R296-I300 WeakPolarHBondContact O-CB 3.5Å; R296-I300 WeakPolarHBondContact O-CD1 3.38Å; R296-I300 WeakPolarHBondContact O-CG1 3.41Å; R296-I300 PolarHBondContact O-N 3.3Å
297L83.3Confident82.8Confident105 Ų105102.3 Ų102.355%0.5550%0.502SS..Hα-helixtrans-64.9-40.6178.1-82.8165.4000111.8E293 A294 I300 A301E293-L297 WeakPolarHBondContact O-CB 3.5Å; E293-L297 WeakPolarHBondContact O-CG 3.26Å; E293-L297 PolarHBondContact O-N 3.24Å; A294-L297 PolarHBondContact O-N 3.4Å; L297-I300 PolarHBondContact O-N 2.96Å; L297-A301 VanDerWaalsContact O-CB 3.31Å; L297-A301 WeakPolarHBondContact O-CB 3.38Å; L297-A301 PolarHBondContact O-N 3.15Å
298Q82.7Confident82.9Confident111 Ų111103.1 Ų103.152%0.51951%0.51SS..Hα-helixtrans-65-44176.4-171.6174.1-15.300111.1A294 Y295 I300 A301 E302A294-Q298 WeakPolarHBondContact O-CB 3.35Å; A294-Q298 PolarHBondContact O-N 3.15Å; Y295-Q298 PolarHBondContact O-N 3.33Å; Q298-I300 VanDerWaalsContact C-N 3.34Å; Q298-I300 PolarHBondContact O-N 2.87Å; Q298-A301 CarbonylContact O-C 3.59Å; Q298-A301 PolarHBondContact O-N 2.64Å; Q298-A301 VanDerWaalsContact O-N 3.16Å; Q298-E302 HydrophobicContact CG-CG 4.42Å; Q298-E302 WeakPolarHBondContact CG-OE1 3.36Å; Q298-E302 PolarHBondContact NE2-OE1 3.41Å; Q298-E302 WeakPolarHBondContact O-CB 3.42Å; Q298-E302 WeakPolarHBondContact O-CG 3.46Å; Q298-E302 PolarHBondContact O-N 2.81Å
299Q82.8Confident83Confident86 Ų8698.8 Ų98.840%0.40250%0.499SS..Hα-helixtrans-64.8-37.6175.6-71.2-72.347.700112.5Y295 R296 G303Y295-Q299 HydrophobicContact CD1-CG 4.1Å; Y295-Q299 HydrophobicContact CE1-CG 3.74Å; Y295-Q299 HydrophobicContact CE2-CG 4.32Å; Y295-Q299 WeakPolarHBondContact O-CB 3.36Å; Y295-Q299 VanDerWaalsContact O-CG 3.27Å; Y295-Q299 WeakPolarHBondContact O-CG 3.41Å; Y295-Q299 PolarHBondContact O-N 3.02Å; Y295-Q299 PolarHBondContact OH-NE2 2.88Å; R296-Q299 PolarHBondContact O-N 3.45Å; Q299-G303 PolarHBondContact O-N 3.27Å
300I84.3Confident83Confident67 Ų67101.3 Ų101.334%0.34451%0.508SS..Hα-helixtrans-63.7-44.2172-70.7166000110.2R296 L297 Q298 G303 Y304R296-I300 HydrophobicContact CG-CD1 3.97Å; R296-I300 WeakPolarHBondContact O-CB 3.5Å; R296-I300 WeakPolarHBondContact O-CD1 3.38Å; R296-I300 WeakPolarHBondContact O-CG1 3.41Å; R296-I300 PolarHBondContact O-N 3.3Å; L297-I300 PolarHBondContact O-N 2.96Å; Q298-I300 VanDerWaalsContact C-N 3.34Å; Q298-I300 PolarHBondContact O-N 2.87Å; I300-G303 PolarHBondContact O-N 3.03Å; I300-Y304 HydrophobicContact CG2-CD2 3.6Å; I300-Y304 HydrophobicContact CG2-CE2 3.33Å; I300-Y304 WeakPolarHBondContact O-CD2 3.11Å; I300-Y304 PolarHBondContact O-N 3.34Å
301A83.6Confident83Confident57 Ų57103.1 Ų103.147%0.47151%0.51SS..Hα-helixtrans-67.7-40.6179.400000112.8L297 Q298 Y304 R305L297-A301 VanDerWaalsContact O-CB 3.31Å; L297-A301 WeakPolarHBondContact O-CB 3.38Å; L297-A301 PolarHBondContact O-N 3.15Å; Q298-A301 CarbonylContact O-C 3.59Å; Q298-A301 PolarHBondContact O-N 2.64Å; Q298-A301 VanDerWaalsContact O-N 3.16Å; A301-Y304 PolarHBondContact O-N 3.12Å; A301-R305 WeakPolarHBondContact O-CB 3.43Å; A301-R305 PolarHBondContact O-N 3.33Å
302E83.6Confident82.9Confident92 Ų9299.9 Ų99.943%0.4351%0.505SS..Hα-helixtrans-66.5-38172.8-74.1179.4-165.100111.1Q298 R305 S306Q298-E302 HydrophobicContact CG-CG 4.42Å; Q298-E302 WeakPolarHBondContact CG-OE1 3.36Å; Q298-E302 PolarHBondContact NE2-OE1 3.41Å; Q298-E302 WeakPolarHBondContact O-CB 3.42Å; Q298-E302 WeakPolarHBondContact O-CG 3.46Å; Q298-E302 PolarHBondContact O-N 2.81Å; E302-R305 PolarHBondContact O-N 3.19Å; E302-S306 WeakPolarHBondContact O-CB 3.43Å; E302-S306 PolarHBondContact O-N 2.88Å; E302-S306 PolarHBondContact O-OG 2.91Å
303G83.8Confident82.9Confident32 Ų32102 Ų10233%0.3350%0.504SS..Hα-helixtrans-58.6-48.8169.400000112.3Q299 I300 R305 S306 Q307Q299-G303 PolarHBondContact O-N 3.27Å; I300-G303 PolarHBondContact O-N 3.03Å; G303-R305 PolarHBondContact O-N 3.3Å; G303-S306 WeakPolarHBondContact CA-OG 3.25Å; G303-S306 PolarHBondContact O-N 3.48Å; G303-S306 PolarHBondContact O-OG 2.86Å; G303-Q307 WeakPolarHBondContact O-CB 3.38Å; G303-Q307 PolarHBondContact O-N 3.23Å
304Y84.5Confident82.9Confident150 Ų15099 Ų9959%0.58850%0.5SS*.Hα-helixtrans-65.1-38.2175.4-79.2-60.1000112.8I300 A301 K308I300-Y304 HydrophobicContact CG2-CD2 3.6Å; I300-Y304 HydrophobicContact CG2-CE2 3.33Å; I300-Y304 WeakPolarHBondContact O-CD2 3.11Å; I300-Y304 PolarHBondContact O-N 3.34Å; A301-Y304 PolarHBondContact O-N 3.12Å; Y304-K308 WeakPolarHBondContact O-CB 3.19Å; Y304-K308 PolarHBondContact O-N 3.33Å
305R80Confident83Confident186 Ų186102.3 Ų102.370%0.70251%0.506SS*.Hα-helixtrans-66-47.6177.8-172.2179.2-177.8174.11.1111A301 E302 G303 K308 I309A301-R305 WeakPolarHBondContact O-CB 3.43Å; A301-R305 PolarHBondContact O-N 3.33Å; E302-R305 PolarHBondContact O-N 3.19Å; G303-R305 PolarHBondContact O-N 3.3Å; R305-K308 PolarHBondContact O-N 3.09Å; R305-I309 HydrophobicContact CG-CD1 4.04Å; R305-I309 VanDerWaalsContact O-CG1 3.26Å; R305-I309 WeakPolarHBondContact O-CG1 3.46Å; R305-I309 PolarHBondContact O-N 2.85Å
306S80.2Confident82.8Confident60 Ų6098 Ų9842%0.4250%0.501SS..Hα-helixtrans-64.7-41.7176.457.10000111.6E302 G303 K308 I309 L310E302-S306 WeakPolarHBondContact O-CB 3.43Å; E302-S306 PolarHBondContact O-N 2.88Å; E302-S306 PolarHBondContact O-OG 2.91Å; G303-S306 WeakPolarHBondContact CA-OG 3.25Å; G303-S306 PolarHBondContact O-N 3.48Å; G303-S306 PolarHBondContact O-OG 2.86Å; S306-K308 PolarHBondContact O-N 2.93Å; S306-I309 PolarHBondContact O-N 2.98Å; S306-L310 WeakPolarHBondContact O-CB 3.49Å; S306-L310 WeakPolarHBondContact O-CG 3.35Å; S306-L310 PolarHBondContact O-N 2.91Å
307Q82.8Confident82.7Confident110 Ų11094 Ų9451%0.51449%0.492SS..Hα-helixtrans-60.6-44.9174.4-172.1-176.713.600111.8G303 L310 L311G303-Q307 WeakPolarHBondContact O-CB 3.38Å; G303-Q307 PolarHBondContact O-N 3.23Å; Q307-L310 PolarHBondContact O-N 3.25Å; Q307-L311 HydrophobicContact CG-CD1 4.38Å; Q307-L311 WeakPolarHBondContact O-CB 3.43Å; Q307-L311 PolarHBondContact O-N 2.84Å
308K82.1Confident82.5Confident163 Ų16390.3 Ų90.371%0.70948%0.479SS*.Hα-helixtrans-64.4-40.4176.1-83.5-166.3175.9-173.70112.7Y304 R305 S306 A312Y304-K308 WeakPolarHBondContact O-CB 3.19Å; Y304-K308 PolarHBondContact O-N 3.33Å; R305-K308 PolarHBondContact O-N 3.09Å; S306-K308 PolarHBondContact O-N 2.93Å; K308-A312 WeakPolarHBondContact O-CB 3.3Å; K308-A312 PolarHBondContact O-N 2.96Å
309I82.8Confident82.4Confident81 Ų8191 Ų9142%0.41549%0.485SS..Hα-helixtrans-65.7-45.5177.2-69165.7000110.4R305 S306 A312 Q313R305-I309 HydrophobicContact CG-CD1 4.04Å; R305-I309 VanDerWaalsContact O-CG1 3.26Å; R305-I309 WeakPolarHBondContact O-CG1 3.46Å; R305-I309 PolarHBondContact O-N 2.85Å; S306-I309 PolarHBondContact O-N 2.98Å; I309-A312 PolarHBondContact O-N 2.86Å; I309-Q313 HydrophobicContact CG2-CG 4.39Å; I309-Q313 WeakPolarHBondContact O-CB 3.46Å; I309-Q313 WeakPolarHBondContact O-CG 3.49Å; I309-Q313 PolarHBondContact O-N 3.13Å
310L84.2Confident82.3Confident111 Ų11193.8 Ų93.858%0.58149%0.492SS*.Hα-helixtrans-64.4-40.7177.9-79168.2000112.2S306 Q307 Q313 A314S306-L310 WeakPolarHBondContact O-CB 3.49Å; S306-L310 WeakPolarHBondContact O-CG 3.35Å; S306-L310 PolarHBondContact O-N 2.91Å; Q307-L310 PolarHBondContact O-N 3.25Å; L310-Q313 PolarHBondContact O-N 3.38Å; L310-A314 WeakPolarHBondContact O-CB 3.36Å; L310-A314 PolarHBondContact O-N 3.24Å
311L83.8Confident82.2Confident90 Ų9095.6 Ų95.647%0.47150%0.502SS..Hα-helixtrans-61.7-48.3173.2-97.9163.6000111.3Q307 Q313 A314 E315Q307-L311 HydrophobicContact CG-CD1 4.38Å; Q307-L311 WeakPolarHBondContact O-CB 3.43Å; Q307-L311 PolarHBondContact O-N 2.84Å; L311-Q313 VanDerWaalsContact C-N 3.31Å; L311-Q313 PolarHBondContact O-N 2.84Å; L311-A314 PolarHBondContact O-N 2.83Å; L311-E315 WeakPolarHBondContact O-CB 3.49Å; L311-E315 WeakPolarHBondContact O-CG 3.43Å; L311-E315 PolarHBondContact O-N 2.95Å
312A81.1Confident82.2Confident54 Ų5499.9 Ų99.945%0.44651%0.509SS..Hα-helixtrans-62.4-38.1178.500000112.3K308 I309 A316K308-A312 WeakPolarHBondContact O-CB 3.3Å; K308-A312 PolarHBondContact O-N 2.96Å; I309-A312 PolarHBondContact O-N 2.86Å; A312-A316 VanDerWaalsContact O-CB 3.3Å; A312-A316 WeakPolarHBondContact O-CB 3.4Å; A312-A316 PolarHBondContact O-N 2.76Å
313Q82.6Confident82.1Confident105 Ų10597.4 Ų97.449%0.49151%0.509SS..Hα-helixtrans-68.4-44174.1-75.7176.1-1800111.9I309 L310 L311 E315 A316 D317I309-Q313 HydrophobicContact CG2-CG 4.39Å; I309-Q313 WeakPolarHBondContact O-CB 3.46Å; I309-Q313 WeakPolarHBondContact O-CG 3.49Å; I309-Q313 PolarHBondContact O-N 3.13Å; L310-Q313 PolarHBondContact O-N 3.38Å; L311-Q313 VanDerWaalsContact C-N 3.31Å; L311-Q313 PolarHBondContact O-N 2.84Å; Q313-E315 VanDerWaalsContact C-N 3.33Å; Q313-E315 PolarHBondContact O-N 2.93Å; Q313-A316 PolarHBondContact O-N 3.2Å; Q313-D317 WeakPolarHBondContact O-CB 3.4Å; Q313-D317 PolarHBondContact O-N 3.35Å
314A82.6Confident82Confident62 Ų6299 Ų9951%0.51251%0.509SS..Hα-helixtrans-64.2-37.4176.800000112L310 L311 G318L310-A314 WeakPolarHBondContact O-CB 3.36Å; L310-A314 PolarHBondContact O-N 3.24Å; L311-A314 PolarHBondContact O-N 2.83Å; A314-G318 WeakPolarHBondContact O-CA 3.41Å; A314-G318 PolarHBondContact O-N 2.96Å
315E83.4Confident81.8Confident124 Ų12494.4 Ų94.458%0.57950%0.502SS*.Hα-helixtrans-66.1-44.6172.3-74.8176.6177.900111.3L311 Q313 G318 I319L311-E315 WeakPolarHBondContact O-CB 3.49Å; L311-E315 WeakPolarHBondContact O-CG 3.43Å; L311-E315 PolarHBondContact O-N 2.95Å; Q313-E315 VanDerWaalsContact C-N 3.33Å; Q313-E315 PolarHBondContact O-N 2.93Å; E315-G318 PolarHBondContact O-N 2.89Å; E315-I319 VanDerWaalsContact O-CG1 3.29Å; E315-I319 WeakPolarHBondContact O-CG1 3.46Å; E315-I319 PolarHBondContact O-N 2.94Å
316A81Confident81.8Confident57 Ų5792.1 Ų92.147%0.47150%0.498SS..Hα-helixtrans-63-45.9176.900000112.3A312 Q313 G318 I319 R320A312-A316 VanDerWaalsContact O-CB 3.3Å; A312-A316 WeakPolarHBondContact O-CB 3.4Å; A312-A316 PolarHBondContact O-N 2.76Å; Q313-A316 PolarHBondContact O-N 3.2Å; A316-G318 VanDerWaalsContact C-N 3.35Å; A316-I319 PolarHBondContact O-N 3.19Å; A316-R320 WeakPolarHBondContact O-CB 3.36Å; A316-R320 PolarHBondContact O-N 3.09Å
317D81.1Confident81.7Confident72 Ų7291.6 Ų91.639%0.38550%0.496SS..Hα-helixtrans-66.8-36.5174.7-86.9-38.8000111.8Q313 R320 L321Q313-D317 WeakPolarHBondContact O-CB 3.4Å; Q313-D317 PolarHBondContact O-N 3.35Å; D317-R320 PolarHBondContact O-N 3.33Å; D317-R320 IonicContact OD1-CZ 2.83Å; D317-R320 IonicContact OD1-NE 2.94Å; D317-R320 PolarHBondContact OD1-NE 3.08Å; D317-R320 IonicContact OD1-NH2 3.62Å; D317-R320 PolarHBondContact OD1-NH2 3.35Å; D317-L321 VanDerWaalsContact O-CB 3.28Å; D317-L321 WeakPolarHBondContact O-CB 3.43Å; D317-L321 VanDerWaalsContact O-CG 3.29Å; D317-L321 WeakPolarHBondContact O-CG 3.26Å; D317-L321 PolarHBondContact O-N 3.24Å
318G79.6Confident81.7Confident27 Ų2792 Ų9228%0.27850%0.498SS..Hα-helixtrans-61.7-42.5173.800000112.4A314 E315 A316 K322A314-G318 WeakPolarHBondContact O-CA 3.41Å; A314-G318 PolarHBondContact O-N 2.96Å; E315-G318 PolarHBondContact O-N 2.89Å; A316-G318 VanDerWaalsContact C-N 3.35Å; G318-K322 VanDerWaalsContact O-CB 3.27Å; G318-K322 WeakPolarHBondContact O-CB 3.4Å; G318-K322 WeakPolarHBondContact O-CG 3.42Å; G318-K322 PolarHBondContact O-N 3.43Å
319I80.4Confident81.5Confident126 Ų12686.8 Ų86.865%0.64649%0.486SS*.Hα-helixtrans-67.3-43.2174.7-67.1164.5000110.4E315 A316 K322 G323E315-I319 VanDerWaalsContact O-CG1 3.29Å; E315-I319 WeakPolarHBondContact O-CG1 3.46Å; E315-I319 PolarHBondContact O-N 2.94Å; A316-I319 PolarHBondContact O-N 3.19Å; I319-K322 PolarHBondContact O-N 3.44Å; I319-G323 PolarHBondContact O-N 3.42Å
320R80.8Confident81.3Confident144 Ų14489.2 Ų89.254%0.54350%0.497SS..Hα-helixtrans-62.8-47.6178.5-171.5177.466.696.6-0.6111.9A316 D317 G323 I324A316-R320 WeakPolarHBondContact O-CB 3.36Å; A316-R320 PolarHBondContact O-N 3.09Å; D317-R320 PolarHBondContact O-N 3.33Å; D317-R320 IonicContact OD1-CZ 2.83Å; D317-R320 IonicContact OD1-NE 2.94Å; D317-R320 PolarHBondContact OD1-NE 3.08Å; D317-R320 IonicContact OD1-NH2 3.62Å; D317-R320 PolarHBondContact OD1-NH2 3.35Å; R320-G323 WeakPolarHBondContact O-CA 3.37Å; R320-G323 PolarHBondContact O-N 3.06Å; R320-G323 VanDerWaalsContact O-N 3.16Å; R320-I324 HydrophobicContact CG-CD1 4.05Å; R320-I324 VanDerWaalsContact O-CG1 3.32Å; R320-I324 WeakPolarHBondContact O-CG1 3.37Å; R320-I324 PolarHBondContact O-N 2.78Å
321L83.2Confident81.2Confident105 Ų10589.4 Ų89.455%0.5550%0.495SS..Hα-helixtrans-64.9-42.4177.3-74.4170.5000111.7D317 G323 I324 A325D317-L321 VanDerWaalsContact O-CB 3.28Å; D317-L321 WeakPolarHBondContact O-CB 3.43Å; D317-L321 VanDerWaalsContact O-CG 3.29Å; D317-L321 WeakPolarHBondContact O-CG 3.26Å; D317-L321 PolarHBondContact O-N 3.24Å; L321-G323 VanDerWaalsContact C-N 3.27Å; L321-G323 PolarHBondContact O-N 3.11Å; L321-I324 PolarHBondContact O-N 3.48Å; L321-A325 VanDerWaalsContact O-CB 3.26Å; L321-A325 WeakPolarHBondContact O-CB 3.48Å; L321-A325 PolarHBondContact O-N 3.27Å
322K82.6Confident81Confident146 Ų14687.5 Ų87.564%0.63549%0.492SS*.Hα-helixtrans-61.9-37.3171.9-76.5174.5-179176.60111.6G318 I319 K326G318-K322 VanDerWaalsContact O-CB 3.27Å; G318-K322 WeakPolarHBondContact O-CB 3.4Å; G318-K322 WeakPolarHBondContact O-CG 3.42Å; G318-K322 PolarHBondContact O-N 3.43Å; I319-K322 PolarHBondContact O-N 3.44Å; K322-K326 VanDerWaalsContact O-CB 3.26Å; K322-K326 WeakPolarHBondContact O-CB 3.41Å; K322-K326 WeakPolarHBondContact O-CG 3.28Å; K322-K326 PolarHBondContact O-N 2.84Å
323G81.3Confident81Confident40 Ų4089 Ų8941%0.41250%0.495SS..Hα-helixtrans-63.2-48.8175.300000112.2I319 R320 L321 K326 A327I319-G323 PolarHBondContact O-N 3.42Å; R320-G323 WeakPolarHBondContact O-CA 3.37Å; R320-G323 PolarHBondContact O-N 3.06Å; R320-G323 VanDerWaalsContact O-N 3.16Å; L321-G323 VanDerWaalsContact C-N 3.27Å; L321-G323 PolarHBondContact O-N 3.11Å; G323-K326 PolarHBondContact O-N 2.82Å; G323-A327 WeakPolarHBondContact O-CB 3.23Å; G323-A327 PolarHBondContact O-N 3.02Å
324I82.2Confident80.8Confident65 Ų6585.9 Ų85.933%0.33349%0.491SS..Hα-helixtrans-63.5-49.2177-65.8163.5000110.5R320 L321 K326 A327 E328R320-I324 HydrophobicContact CG-CD1 4.05Å; R320-I324 VanDerWaalsContact O-CG1 3.32Å; R320-I324 WeakPolarHBondContact O-CG1 3.37Å; R320-I324 PolarHBondContact O-N 2.78Å; L321-I324 PolarHBondContact O-N 3.48Å; I324-K326 VanDerWaalsContact C-N 3.29Å; I324-K326 PolarHBondContact O-N 2.81Å; I324-A327 WeakPolarHBondContact O-CB 3.11Å; I324-A327 PolarHBondContact O-N 2.93Å; I324-E328 HydrophobicContact CG2-CG 4.26Å; I324-E328 WeakPolarHBondContact O-CG 3.4Å; I324-E328 PolarHBondContact O-N 3.48Å
325A80.2Confident80.7Confident55 Ų5590.4 Ų90.446%0.45550%0.495SS..Hα-helixtrans-61.2-37.6178.800000112.3L321 A329L321-A325 VanDerWaalsContact O-CB 3.26Å; L321-A325 WeakPolarHBondContact O-CB 3.48Å; L321-A325 PolarHBondContact O-N 3.27Å; A325-A329 WeakPolarHBondContact O-CB 3.3Å; A325-A329 PolarHBondContact O-N 2.99Å
326K80.1Confident80.6Confident138 Ų13886.9 Ų86.960%0.649%0.487SS*.Hα-helixtrans-67.2-40.1173.2-79177.4179.2-175.90112.1K322 G323 I324 M330K322-K326 VanDerWaalsContact O-CB 3.26Å; K322-K326 WeakPolarHBondContact O-CB 3.41Å; K322-K326 WeakPolarHBondContact O-CG 3.28Å; K322-K326 PolarHBondContact O-N 2.84Å; G323-K326 PolarHBondContact O-N 2.82Å; I324-K326 VanDerWaalsContact C-N 3.29Å; I324-K326 PolarHBondContact O-N 2.81Å; K326-M330 HydrophobicContact CB-CE 4.12Å; K326-M330 WeakPolarHBondContact O-CB 3.42Å; K326-M330 WeakPolarHBondContact O-CE 3.43Å; K326-M330 WeakPolarHBondContact O-CG 3.48Å; K326-M330 PolarHBondContact O-N 3.49Å
327A78.8Confident80.5Confident48 Ų4888.2 Ų88.240%0.39748%0.484SS..Hα-helixtrans-64.7-48.3176.300000111.1G323 I324 A329 M330 E331G323-A327 WeakPolarHBondContact O-CB 3.23Å; G323-A327 PolarHBondContact O-N 3.02Å; I324-A327 WeakPolarHBondContact O-CB 3.11Å; I324-A327 PolarHBondContact O-N 2.93Å; A327-A329 PolarHBondContact O-N 3.34Å; A327-M330 PolarHBondContact O-N 3.21Å; A327-E331 WeakPolarHBondContact O-CG 3.14Å; A327-E331 PolarHBondContact O-N 2.88Å
328E81.5Confident80.2Confident119 Ų11987.7 Ų87.756%0.55649%0.489SS*.Hα-helixtrans-62.8-41.4176.5-71.6178.5168.800112.2I324 E331 A332I324-E328 HydrophobicContact CG2-CG 4.26Å; I324-E328 WeakPolarHBondContact O-CG 3.4Å; I324-E328 PolarHBondContact O-N 3.48Å; E328-E331 PolarHBondContact O-N 2.92Å; E328-A332 VanDerWaalsContact O-CB 3.28Å; E328-A332 WeakPolarHBondContact O-CB 3.37Å; E328-A332 PolarHBondContact O-N 3.34Å
329A78.6Confident80.3Confident54 Ų5491.7 Ų91.745%0.44650%0.501SS..Hα-helixtrans-63.8-43174.700000111.6A325 A327 A332 V333A325-A329 WeakPolarHBondContact O-CB 3.3Å; A325-A329 PolarHBondContact O-N 2.99Å; A327-A329 PolarHBondContact O-N 3.34Å; A329-A332 PolarHBondContact O-N 2.91Å; A329-V333 WeakPolarHBondContact O-CB 3.41Å; A329-V333 WeakPolarHBondContact O-CG2 3.35Å; A329-V333 PolarHBondContact O-N 2.94Å
330M78.4Confident80.1Confident132 Ų13291.5 Ų91.565%0.6549%0.492SS*.Hα-helixtrans-65.8-37.9175.2-84.4-175.5-87.700112.3K326 A327 G334K326-M330 HydrophobicContact CB-CE 4.12Å; K326-M330 WeakPolarHBondContact O-CB 3.42Å; K326-M330 WeakPolarHBondContact O-CE 3.43Å; K326-M330 WeakPolarHBondContact O-CG 3.48Å; K326-M330 PolarHBondContact O-N 3.49Å; A327-M330 PolarHBondContact O-N 3.21Å; M330-G334 PolarHBondContact O-N 3.43Å
331E81Confident79.8Confident115 Ų11591.3 Ų91.354%0.53750%0.499SS..Hα-helixtrans-67.4-38.9173.5-76.6-175.3177.800112.5A327 E328 R335A327-E331 WeakPolarHBondContact O-CG 3.14Å; A327-E331 PolarHBondContact O-N 2.88Å; E328-E331 PolarHBondContact O-N 2.92Å; E331-R335 WeakPolarHBondContact O-CB 3.24Å; E331-R335 WeakPolarHBondContact O-CG 3.2Å; E331-R335 PolarHBondContact O-N 2.89Å; E331-R335 PolarHBondContact O-NE 3.34Å; E331-R335 IonicContact OE2-NH2 3.82Å
332A80.4Confident79.5Confident49 Ų4993.8 Ų93.841%0.40550%0.501SS..Hα-helixtrans-67.1-45.2176.500000111.2E328 A329 R335 A336E328-A332 VanDerWaalsContact O-CB 3.28Å; E328-A332 WeakPolarHBondContact O-CB 3.37Å; E328-A332 PolarHBondContact O-N 3.34Å; A329-A332 PolarHBondContact O-N 2.91Å; A332-R335 PolarHBondContact O-N 2.91Å; A332-A336 VanDerWaalsContact O-CB 3.28Å; A332-A336 WeakPolarHBondContact O-CB 3.43Å; A332-A336 PolarHBondContact O-N 2.8Å
333V80.7Confident79.2Confident86 Ų8691.4 Ų91.452%0.52150%0.495SS..Hα-helixtrans-60.9-48.2173.2172.40000110.1A329 R335 A336 E337A329-V333 WeakPolarHBondContact O-CB 3.41Å; A329-V333 WeakPolarHBondContact O-CG2 3.35Å; A329-V333 PolarHBondContact O-N 2.94Å; V333-R335 PolarHBondContact O-N 3.49Å; V333-A336 PolarHBondContact O-N 3.03Å; V333-E337 WeakPolarHBondContact O-CB 3.28Å; V333-E337 PolarHBondContact O-N 3.46Å
334G78.5Confident78.7Confident39 Ų3996.3 Ų96.340%0.40250%0.501SS..Hα-helixtrans-60.1-41.7178.600000113.5M330 A338M330-G334 PolarHBondContact O-N 3.43Å; G334-A338 WeakPolarHBondContact O-CB 3.1Å; G334-A338 PolarHBondContact O-N 3.38Å
335R81.7Confident77.9Confident157 Ų15796.3 Ų96.359%0.59251%0.51SS*.Hα-helixtrans-66.3-45.7173.9-80-177-74.3-153-6112.3E331 A332 V333 E337 A338 E339E331-R335 WeakPolarHBondContact O-CB 3.24Å; E331-R335 WeakPolarHBondContact O-CG 3.2Å; E331-R335 PolarHBondContact O-N 2.89Å; E331-R335 PolarHBondContact O-NE 3.34Å; E331-R335 IonicContact OE2-NH2 3.82Å; A332-R335 PolarHBondContact O-N 2.91Å; V333-R335 PolarHBondContact O-N 3.49Å; R335-E337 VanDerWaalsContact C-N 3.31Å; R335-E337 PolarHBondContact O-N 3.33Å; R335-A338 PolarHBondContact O-N 3.13Å; R335-E339 PolarHBondContact O-N 2.88Å
336A80.8Confident77.4Confident50 Ų5098.5 Ų98.541%0.41351%0.511SS..Hα-helixtrans-62.5-39.4178.200000111.4A332 V333 R340A332-A336 VanDerWaalsContact O-CB 3.28Å; A332-A336 WeakPolarHBondContact O-CB 3.43Å; A332-A336 PolarHBondContact O-N 2.8Å; V333-A336 PolarHBondContact O-N 3.03Å; A336-R340 VanDerWaalsContact O-CB 3.23Å; A336-R340 WeakPolarHBondContact O-CB 3.39Å; A336-R340 PolarHBondContact O-N 3.06Å
337E78.1Confident76.8Confident86 Ų8694.2 Ų94.240%0.40250%0.501SS..Hα-helixtrans-67.9-41.1177-146.4124.7-124.200111.7V333 R335 R340 M341V333-E337 WeakPolarHBondContact O-CB 3.28Å; V333-E337 PolarHBondContact O-N 3.46Å; R335-E337 VanDerWaalsContact C-N 3.31Å; R335-E337 PolarHBondContact O-N 3.33Å; E337-R340 PolarHBondContact O-N 2.99Å; E337-R340 IonicContact OE1-CZ 3.43Å; E337-R340 IonicContact OE1-NH1 3.33Å; E337-R340 PolarHBondContact OE1-NH1 3.23Å; E337-R340 IonicContact OE1-NH2 2.73Å; E337-R340 PolarHBondContact OE1-NH2 3Å; E337-M341 PolarHBondContact O-N 3.31Å
338A75.3Confident76.2Confident61 Ų6197.3 Ų97.350%0.50450%0.504SS..Hα-helixtrans-63.3-43.4173.800000112.3G334 R335 M341 R342G334-A338 WeakPolarHBondContact O-CB 3.1Å; G334-A338 PolarHBondContact O-N 3.38Å; R335-A338 PolarHBondContact O-N 3.13Å; A338-M341 PolarHBondContact O-N 3.26Å; A338-R342 PolarHBondContact O-N 2.74Å
339E81Confident75.4Confident110 Ų11096.6 Ų96.651%0.51451%0.512SS..Hα-helixtrans-66.2-42.7173.9-79-161.4149.700112.2R335 M341 R342 L343R335-E339 PolarHBondContact O-N 2.88Å; E339-M341 VanDerWaalsContact C-N 3.27Å; E339-M341 PolarHBondContact O-N 3.46Å; E339-R342 PolarHBondContact O-N 3.44Å; E339-R342 VanDerWaalsContact O-N 3.11Å; E339-L343 WeakPolarHBondContact O-CB 3.2Å; E339-L343 WeakPolarHBondContact O-CG 3.33Å; E339-L343 PolarHBondContact O-N 3.5Å
340R77.3Confident74.8Confident122 Ų122102 Ų10246%0.4653%0.525SS..Hα-helixtrans-59.2-41176.9-149.6-163.8-44.4147.211.2110.7A336 E337 R344A336-R340 VanDerWaalsContact O-CB 3.23Å; A336-R340 WeakPolarHBondContact O-CB 3.39Å; A336-R340 PolarHBondContact O-N 3.06Å; E337-R340 PolarHBondContact O-N 2.99Å; E337-R340 IonicContact OE1-CZ 3.43Å; E337-R340 IonicContact OE1-NH1 3.33Å; E337-R340 PolarHBondContact OE1-NH1 3.23Å; E337-R340 IonicContact OE1-NH2 2.73Å; E337-R340 PolarHBondContact OE1-NH2 3Å; R340-R344 VanDerWaalsContact O-CB 3.31Å; R340-R344 WeakPolarHBondContact O-CB 3.19Å; R340-R344 WeakPolarHBondContact O-CG 3.4Å; R340-R344 PolarHBondContact O-N 3.06Å
341M74.5Confident73.8Confident140 Ų140102 Ų10269%0.6952%0.519SS*.Hα-helixtrans-65.7-42.8173.5-88.3-172.5-179.300112.3E337 A338 E339 R344 A345E337-M341 PolarHBondContact O-N 3.31Å; A338-M341 PolarHBondContact O-N 3.26Å; E339-M341 VanDerWaalsContact C-N 3.27Å; E339-M341 PolarHBondContact O-N 3.46Å; M341-R344 PolarHBondContact O-N 2.91Å; M341-A345 WeakPolarHBondContact O-CB 3.38Å; M341-A345 PolarHBondContact O-N 3.01Å
342R76.4Confident72.9Confident158 Ų15899 Ų9960%0.59652%0.518SS*.Hα-helixtrans-63.9-46.7178.7-165-173.971.3-179.8-3.8111.9A338 E339 A345 E346A338-R342 PolarHBondContact O-N 2.74Å; E339-R342 PolarHBondContact O-N 3.44Å; E339-R342 VanDerWaalsContact O-N 3.11Å; R342-A345 WeakPolarHBondContact O-CB 3.49Å; R342-A345 PolarHBondContact O-N 3.39Å; R342-E346 WeakPolarHBondContact O-CB 3.47Å; R342-E346 PolarHBondContact O-N 2.91Å
343L76.8Confident72Confident95 Ų95103.6 Ų103.650%0.49754%0.536SS..Hα-helixtrans-65.1-39.1177.2-72.5171.6000111.7E339 E346 A347E339-L343 WeakPolarHBondContact O-CB 3.2Å; E339-L343 WeakPolarHBondContact O-CG 3.33Å; E339-L343 PolarHBondContact O-N 3.5Å; L343-E346 PolarHBondContact O-N 3.05Å; L343-A347 VanDerWaalsContact O-CB 3.24Å; L343-A347 WeakPolarHBondContact O-CB 3.41Å; L343-A347 PolarHBondContact O-N 2.87Å
344R70Confident71Confident143 Ų143103.5 Ų103.554%0.5454%0.544SS..Hα-helixtrans-59.2-49.2171-89.3-176.9171.9166.8-3.3111R340 M341 E346 A347 Y348R340-R344 VanDerWaalsContact O-CB 3.31Å; R340-R344 WeakPolarHBondContact O-CB 3.19Å; R340-R344 WeakPolarHBondContact O-CG 3.4Å; R340-R344 PolarHBondContact O-N 3.06Å; M341-R344 PolarHBondContact O-N 2.91Å; R344-E346 VanDerWaalsContact C-N 3.28Å; R344-E346 PolarHBondContact O-N 3.11Å; R344-A347 PolarHBondContact O-N 3.45Å; R344-Y348 HydrophobicContact CB-CD2 4.25Å; R344-Y348 HydrophobicContact CB-CE2 3.91Å; R344-Y348 HydrophobicContact CG-CE2 4.21Å; R344-Y348 WeakPolarHBondContact O-CB 3.49Å; R344-Y348 WeakPolarHBondContact O-CD2 3.27Å; R344-Y348 PolarHBondContact O-N 2.83Å
345A65.3Low70Confident65 Ų65103.3 Ų103.354%0.53754%0.539SS..Hα-helixtrans-59-40178.500000112.3M341 R342 S349M341-A345 WeakPolarHBondContact O-CB 3.38Å; M341-A345 PolarHBondContact O-N 3.01Å; R342-A345 WeakPolarHBondContact O-CB 3.49Å; R342-A345 PolarHBondContact O-N 3.39Å; A345-S349 PolarHBondContact O-N 2.96Å
346E71.3Confident69.1Low102 Ų10299.3 Ų99.348%0.47753%0.528SS..Hα-helixtrans-72.7-38178.6-159.8176.6-174.900112.8R342 L343 R344 S349R342-E346 WeakPolarHBondContact O-CB 3.47Å; R342-E346 PolarHBondContact O-N 2.91Å; L343-E346 PolarHBondContact O-N 3.05Å; R344-E346 VanDerWaalsContact C-N 3.28Å; R344-E346 PolarHBondContact O-N 3.11Å; E346-S349 WeakPolarHBondContact O-CB 3.43Å; E346-S349 PolarHBondContact O-N 3.3Å
347A67.1Low68.3Low47 Ų47102 Ų10239%0.38854%0.536SS..Hα-helixtrans-64.4-43.3173.800000111.2L343 R344 S349 K350 Y351L343-A347 VanDerWaalsContact O-CB 3.24Å; L343-A347 WeakPolarHBondContact O-CB 3.41Å; L343-A347 PolarHBondContact O-N 2.87Å; R344-A347 PolarHBondContact O-N 3.45Å; A347-S349 PolarHBondContact O-N 3.39Å; A347-K350 PolarHBondContact O-N 2.88Å; A347-K350 VanDerWaalsContact O-N 3.16Å; A347-Y351 WeakPolarHBondContact O-CD2 3.4Å
348Y65.8Low67.7Low114 Ų114102.8 Ų102.845%0.44754%0.542SS..Hα-helixtrans-64.4-28176.4-69.6-53.5000113R344 K350 L359R344-Y348 HydrophobicContact CB-CD2 4.25Å; R344-Y348 HydrophobicContact CB-CE2 3.91Å; R344-Y348 HydrophobicContact CG-CE2 4.21Å; R344-Y348 WeakPolarHBondContact O-CB 3.49Å; R344-Y348 WeakPolarHBondContact O-CD2 3.27Å; R344-Y348 PolarHBondContact O-N 2.83Å; Y348-K350 PolarHBondContact O-N 2.92Å; Y348-L359 HydrophobicContact CD1-CD2 4.1Å; Y348-L359 HydrophobicContact CE1-CD1 3.98Å; Y348-L359 HydrophobicContact CE1-CD2 3.56Å; Y348-L359 HydrophobicContact CE1-CG 4.44Å
349S64.9Low67.3Low104 Ų104103.4 Ų103.473%0.72754%0.537SS*.THydrogen-bonded Turntrans-68.6-17.6175.4-1740000114.3A345 E346 A347A345-S349 PolarHBondContact O-N 2.96Å; E346-S349 WeakPolarHBondContact O-CB 3.43Å; E346-S349 PolarHBondContact O-N 3.3Å; A347-S349 PolarHBondContact O-N 3.39Å
350K66.6Low66.6Low168 Ų168102.4 Ų102.473%0.7353%0.534SS*.THydrogen-bonded Turntrans-102.3-4.3-175.5-67.5-178-177.71730114.2A347 Y348A347-K350 PolarHBondContact O-N 2.88Å; A347-K350 VanDerWaalsContact O-N 3.16Å; Y348-K350 PolarHBondContact O-N 2.92Å
351Y57.3Low66.3Low132 Ų132101 Ų10152%0.51854%0.535SS..  trans-84.1118.3175.6-78.9-74.1000110.2A347 A355A347-Y351 WeakPolarHBondContact O-CD2 3.4Å; Y351-A355 HydrophobicContact CD1-CB 3.39Å; Y351-A355 HydrophobicContact CE1-CB 4.26Å; Y351-A355 HydrophobicContact CG-CB 4.1Å
352G61.7Low66.3Low50 Ų50100.1 Ų100.152%0.51553%0.533SS..  trans-67.6165.4173.300000112.7A354 A355 I356G352-A354 PolarHBondContact O-N 3.42Å; G352-A355 PolarHBondContact O-N 3.5Å; G352-I356 PolarHBondContact O-N 2.84Å
353D61.2Low65.9Low147 Ų14795 Ų9579%0.78652%0.519SS*.Hα-helixtrans-49.8-31.7-171.6-66.4-21.9000114.6L357D353-L357 PolarHBondContact O-N 3.25Å
354A58.5Low65.7Low84 Ų8494.8 Ų94.869%0.69452%0.519SS*.Hα-helixtrans-72.3-25.9177.500000114.4G352G352-A354 PolarHBondContact O-N 3.42Å
355A59.3Low66Low35 Ų3591.9 Ų91.929%0.28952%0.518SS..Hα-helixtrans-90-27.9178.900000112.8Y351 G352 L357 N358 L359Y351-A355 HydrophobicContact CD1-CB 3.39Å; Y351-A355 HydrophobicContact CE1-CB 4.26Å; Y351-A355 HydrophobicContact CG-CB 4.1Å; G352-A355 PolarHBondContact O-N 3.5Å; A355-L357 VanDerWaalsContact C-N 3.27Å; A355-N358 PolarHBondContact O-N 3.47Å; A355-L359 PolarHBondContact O-N 3.43Å
356I61.6Low66.4Low72 Ų7295.3 Ų95.337%0.36952%0.523SS..Hα-helixtrans-62.9-39.1168.3-61.4172.5000109.7G352 N358 L359 I360G352-I356 PolarHBondContact O-N 2.84Å; I356-N358 PolarHBondContact O-N 3.37Å; I356-L359 PolarHBondContact O-N 3.49Å; I356-I360 HydrophobicContact CG2-CD1 3.92Å; I356-I360 VanDerWaalsContact O-CG1 3.27Å; I356-I360 WeakPolarHBondContact O-CG1 3.43Å; I356-I360 PolarHBondContact O-N 3.45Å
357L63.6Low66.5Low108 Ų10895.2 Ų95.257%0.56553%0.525SS*.Hα-helixtrans-61.8-41.4174.7-163.978.3000112.4D353 A355 I360 L361D353-L357 PolarHBondContact O-N 3.25Å; A355-L357 VanDerWaalsContact C-N 3.27Å; L357-I360 PolarHBondContact O-N 3.11Å; L357-L361 HydrophobicContact CD2-CD1 4.42Å; L357-L361 HydrophobicContact CG-CD1 4.13Å; L357-L361 WeakPolarHBondContact O-CB 3.35Å; L357-L361 WeakPolarHBondContact O-CD1 3.43Å; L357-L361 WeakPolarHBondContact O-CG 3.49Å; L357-L361 PolarHBondContact O-N 2.84Å
358N66.9Low66.7Low102 Ų10295.8 Ų95.855%0.54553%0.53SS..Hα-helixtrans-67.4-38.2175.9-112.1-20.5000112.3A355 I356 I360 L361 D362A355-N358 PolarHBondContact O-N 3.47Å; I356-N358 PolarHBondContact O-N 3.37Å; N358-I360 VanDerWaalsContact C-N 3.32Å; N358-I360 PolarHBondContact O-N 3.03Å; N358-L361 PolarHBondContact O-N 3.21Å; N358-D362 WeakPolarHBondContact O-CB 3.44Å; N358-D362 PolarHBondContact O-N 3Å
359L66.7Low67.2Low74 Ų7493.3 Ų93.339%0.38753%0.532SS..Hα-helixtrans-63.5-38.8174.5-16390.8000111.7Y348 A355 I356 T363Y348-L359 HydrophobicContact CD1-CD2 4.1Å; Y348-L359 HydrophobicContact CE1-CD1 3.98Å; Y348-L359 HydrophobicContact CE1-CD2 3.56Å; Y348-L359 HydrophobicContact CE1-CG 4.44Å; A355-L359 PolarHBondContact O-N 3.43Å; I356-L359 PolarHBondContact O-N 3.49Å; L359-T363 WeakPolarHBondContact O-CB 3.42Å; L359-T363 VanDerWaalsContact O-CG2 3.26Å; L359-T363 WeakPolarHBondContact O-CG2 3.42Å; L359-T363 PolarHBondContact O-N 2.87Å; L359-T363 PolarHBondContact O-OG1 3.42Å
360I65.7Low67.6Low89 Ų8995.2 Ų95.246%0.45653%0.53SS..Hα-helixtrans-69-39.9175.1-66.7166.7000110.5I356 L357 N358 T363 L364I356-I360 HydrophobicContact CG2-CD1 3.92Å; I356-I360 VanDerWaalsContact O-CG1 3.27Å; I356-I360 WeakPolarHBondContact O-CG1 3.43Å; I356-I360 PolarHBondContact O-N 3.45Å; L357-I360 PolarHBondContact O-N 3.11Å; N358-I360 VanDerWaalsContact C-N 3.32Å; N358-I360 PolarHBondContact O-N 3.03Å; I360-T363 WeakPolarHBondContact CA-OG1 3.34Å; I360-T363 PolarHBondContact O-N 3.19Å; I360-T363 PolarHBondContact O-OG1 2.93Å; I360-L364 HydrophobicContact CG2-CD1 4.37Å; I360-L364 WeakPolarHBondContact O-CB 3.5Å; I360-L364 WeakPolarHBondContact O-CG 3.46Å; I360-L364 PolarHBondContact O-N 3.45Å
361L71.5Confident67.9Low93 Ų9391.3 Ų91.349%0.48752%0.52SS..Hα-helixtrans-66.2-35.7175.4-80.1159.4000113L357 N358 L364 P365L357-L361 HydrophobicContact CD2-CD1 4.42Å; L357-L361 HydrophobicContact CG-CD1 4.13Å; L357-L361 WeakPolarHBondContact O-CB 3.35Å; L357-L361 WeakPolarHBondContact O-CD1 3.43Å; L357-L361 WeakPolarHBondContact O-CG 3.49Å; L357-L361 PolarHBondContact O-N 2.84Å; N358-L361 PolarHBondContact O-N 3.21Å; L361-L364 HydrophobicContact CD2-CD1 4.27Å; L361-P365 VanDerWaalsContact O-CD 3.25Å; L361-P365 WeakPolarHBondContact O-CD 3.4Å
362D73.2Confident68.6Low120 Ų12087.2 Ų87.264%0.64251%0.513SS*.Hα-helixtrans-77.3-26.4176.1-86.6-8.2000113.5N358 P365N358-D362 WeakPolarHBondContact O-CB 3.44Å; N358-D362 PolarHBondContact O-N 3Å; D362-P365 WeakPolarHBondContact O-CD 3.48Å
363T69.6Low69.1Low50 Ų5086 Ų8631%0.30750%0.498SS..Hα-helixtrans-88.4-19.2177.450.90000113L359 I360 Q366 I367L359-T363 WeakPolarHBondContact O-CB 3.42Å; L359-T363 VanDerWaalsContact O-CG2 3.26Å; L359-T363 WeakPolarHBondContact O-CG2 3.42Å; L359-T363 PolarHBondContact O-N 2.87Å; L359-T363 PolarHBondContact O-OG1 3.42Å; I360-T363 WeakPolarHBondContact CA-OG1 3.34Å; I360-T363 PolarHBondContact O-N 3.19Å; I360-T363 PolarHBondContact O-OG1 2.93Å; T363-Q366 PolarHBondContact O-N 3.43Å; T363-Q366 VanDerWaalsContact O-N 3.08Å; T363-I367 WeakPolarHBondContact O-CG1 3.02Å; T363-I367 PolarHBondContact O-N 2.77Å
364L71.4Confident69.5Low92 Ų9283 Ų8348%0.48249%0.487SS..Hα-helixtrans-53.7-43.1174.6-100.2158.6000113.7I360 L361 Q366 I367 A368I360-L364 HydrophobicContact CG2-CD1 4.37Å; I360-L364 WeakPolarHBondContact O-CB 3.5Å; I360-L364 WeakPolarHBondContact O-CG 3.46Å; I360-L364 PolarHBondContact O-N 3.45Å; L361-L364 HydrophobicContact CD2-CD1 4.27Å; L364-Q366 PolarHBondContact O-N 3.04Å; L364-I367 PolarHBondContact O-N 3.06Å; L364-A368 VanDerWaalsContact O-CB 3.25Å; L364-A368 WeakPolarHBondContact O-CB 3.28Å; L364-A368 PolarHBondContact O-N 2.78Å
365P77Confident69.8Low82 Ų8284.2 Ų84.253%0.53248%0.481SS..Hα-helixtrans-63.8-35.2173.9-2332000114L361 D362 A369L361-P365 VanDerWaalsContact O-CD 3.25Å; L361-P365 WeakPolarHBondContact O-CD 3.4Å; D362-P365 WeakPolarHBondContact O-CD 3.48Å; P365-A369 VanDerWaalsContact O-CB 3.28Å; P365-A369 WeakPolarHBondContact O-CB 3.35Å; P365-A369 PolarHBondContact O-N 3.2Å
366Q74.2Confident70.2Confident136 Ų13687.2 Ų87.264%0.63650%0.5SS*.Hα-helixtrans-73.3-40.6178.5-76.4174.70.200111.6T363 L364 A369 E370T363-Q366 PolarHBondContact O-N 3.43Å; T363-Q366 VanDerWaalsContact O-N 3.08Å; L364-Q366 PolarHBondContact O-N 3.04Å; Q366-A369 PolarHBondContact O-N 3.37Å; Q366-E370 PolarHBondContact O-N 3.02Å
367I72.2Confident70.4Confident101 Ų10192 Ų9252%0.51852%0.518SS..Hα-helixtrans-64.9-43173.4-63.7169.9000109.7T363 L364 A369 E370 V371T363-I367 WeakPolarHBondContact O-CG1 3.02Å; T363-I367 PolarHBondContact O-N 2.77Å; L364-I367 PolarHBondContact O-N 3.06Å; I367-A369 VanDerWaalsContact C-N 3.31Å; I367-A369 PolarHBondContact O-N 3.38Å; I367-E370 PolarHBondContact O-N 3.16Å; I367-V371 HydrophobicContact CG2-CG2 4.16Å; I367-V371 VanDerWaalsContact O-CB 3.31Å; I367-V371 WeakPolarHBondContact O-CB 3.44Å; I367-V371 WeakPolarHBondContact O-CG2 3.26Å; I367-V371 PolarHBondContact O-N 3.46Å
368A71.7Confident70.1Confident59 Ų5990.4 Ų90.449%0.48851%0.513SS..Hα-helixtrans-61.4-38.6174.400000112.1L364 A372L364-A368 VanDerWaalsContact O-CB 3.25Å; L364-A368 WeakPolarHBondContact O-CB 3.28Å; L364-A368 PolarHBondContact O-N 2.78Å; A368-A372 WeakPolarHBondContact O-CB 3.38Å; A368-A372 PolarHBondContact O-N 3.42Å
369A76.3Confident69.5Low61 Ų6196 Ų9650%0.50453%0.532SS..Hα-helixtrans-69.4-42.5177.500000113.1P365 Q366 I367 A372 A373P365-A369 VanDerWaalsContact O-CB 3.28Å; P365-A369 WeakPolarHBondContact O-CB 3.35Å; P365-A369 PolarHBondContact O-N 3.2Å; Q366-A369 PolarHBondContact O-N 3.37Å; I367-A369 VanDerWaalsContact C-N 3.31Å; I367-A369 PolarHBondContact O-N 3.38Å; A369-A372 CarbonylContact O-C 3.59Å; A369-A372 PolarHBondContact O-N 3.49Å; A369-A373 VanDerWaalsContact O-CB 3.28Å; A369-A373 WeakPolarHBondContact O-CB 3.34Å; A369-A373 PolarHBondContact O-N 2.89Å
370E73.8Confident68.6Low145 Ų145100.2 Ų100.268%0.67855%0.55SS*.Hα-helixtrans-72.2-35.2176.8-85.1-71179.900112.7Q366 I367 A372 A373 P374Q366-E370 PolarHBondContact O-N 3.02Å; I367-E370 PolarHBondContact O-N 3.16Å; E370-A372 VanDerWaalsContact C-N 3.35Å; E370-A373 PolarHBondContact O-N 3.35Å; E370-P374 WeakPolarHBondContact O-CD 3.47Å
371V72.6Confident68.1Low86 Ų86101.5 Ų101.552%0.52156%0.557SS.*Hα-helixtrans-71.6-31.1173.6175.30000111.4I367I367-V371 HydrophobicContact CG2-CG2 4.16Å; I367-V371 VanDerWaalsContact O-CB 3.31Å; I367-V371 WeakPolarHBondContact O-CB 3.44Å; I367-V371 WeakPolarHBondContact O-CG2 3.26Å; I367-V371 PolarHBondContact O-N 3.46Å
372A71.3Confident67.1Low45 Ų45101.6 Ų101.637%0.37256%0.561SS.*Hα-helixtrans-84.5-16.2174.200000113.8A368 A369 E370 L375 S376A368-A372 WeakPolarHBondContact O-CB 3.38Å; A368-A372 PolarHBondContact O-N 3.42Å; A369-A372 CarbonylContact O-C 3.59Å; A369-A372 PolarHBondContact O-N 3.49Å; E370-A372 VanDerWaalsContact C-N 3.35Å; A372-L375 CarbonylContact O-C 3.58Å; A372-L375 WeakPolarHBondContact O-CA 3.21Å; A372-L375 WeakPolarHBondContact O-CB 2.96Å; A372-L375 PolarHBondContact O-N 3.01Å; A372-S376 PolarHBondContact O-N 3.46Å
373A73.1Confident66.1Low24 Ų24102.9 Ų102.920%0.19857%0.566CS.*Hα-helixtrans-62.4-36.8-178.300000113.8A369 E370 S376 K377A369-A373 VanDerWaalsContact O-CB 3.28Å; A369-A373 WeakPolarHBondContact O-CB 3.34Å; A369-A373 PolarHBondContact O-N 2.89Å; E370-A373 PolarHBondContact O-N 3.35Å; A373-S376 PolarHBondContact O-OG 3.13Å; A373-K377 WeakPolarHBondContact O-CG 3.35Å; A373-K377 PolarHBondContact O-N 3.21Å
374P68.9Low64.8Low84 Ų84108.7 Ų108.755%0.54559%0.592SS.*Hα-helixtrans-66.5-36168.6-22.733.1000112.9E370 T378E370-P374 WeakPolarHBondContact O-CD 3.47Å; P374-T378 PolarHBondContact O-OG1 2.88Å
375L64.9Low63.3Low111 Ų111109.9 Ų109.958%0.58160%0.599SS**Hα-helixtrans-74.8-28.8179.9-77160.1000113.4A372 T378 I381A372-L375 CarbonylContact O-C 3.58Å; A372-L375 WeakPolarHBondContact O-CA 3.21Å; A372-L375 WeakPolarHBondContact O-CB 2.96Å; A372-L375 PolarHBondContact O-N 3.01Å; L375-T378 PolarHBondContact O-OG1 3.13Å; L375-I381 HydrophobicContact CD2-CD1 4.37Å
376S68.4Low62Low97 Ų97109.1 Ų109.168%0.67861%0.606SS**Hα-helixtrans-80.8-19.3177.676.40000113.4A372 A373A372-S376 PolarHBondContact O-N 3.46Å; A373-S376 PolarHBondContact O-OG 3.13Å
377K66.2Low60Low173 Ų173107.1 Ų107.175%0.75261%0.607SS**SBendtrans-87.2-12.3175.8-72.6174.7-177.1171.90113.3A373A373-K377 WeakPolarHBondContact O-CG 3.35Å; A373-K377 PolarHBondContact O-N 3.21Å
378T57Low58.2Low74 Ų74109.2 Ų109.245%0.45462%0.619SS.*  trans-89.5107.9173.638.60000111P374 L375 E380P374-T378 PolarHBondContact O-OG1 2.88Å; L375-T378 PolarHBondContact O-OG1 3.13Å; T378-E380 VanDerWaalsContact C-N 3.31Å; T378-E380 PolarHBondContact O-N 3.41Å
379K53.7Low56.3Low220 Ų220110.1 Ų110.196%0.95763%0.634SS**SBendtrans-72-19.9179.6-84.6180175.6176.70114.2
380E47.3Very low54.2Low162 Ų162115.4 Ų115.476%0.75765%0.648SS**  trans-156.6120-174.8-162172.4-178.800109.7T378 V382T378-E380 VanDerWaalsContact C-N 3.31Å; T378-E380 PolarHBondContact O-N 3.41Å; E380-V382 HydrophobicContact CG-CG2 4Å
381I56.2Low52.4Low117 Ų117113.7 Ų113.760%0.665%0.65SS**  trans-102.997.4173.2-60.1174.4000106.3L375 I383L375-I381 HydrophobicContact CD2-CD1 4.37Å; I381-I383 HydrophobicContact CG2-CG1 4.23Å; I381-I383 PolarHBondContact O-N 3.05Å
382V50.7Low50.7Low94 Ų94113.7 Ų113.757%0.5766%0.659SS**  trans-84.2103.4175.9-173.50000108.8E380 M384E380-V382 HydrophobicContact CG-CG2 4Å; V382-M384 VanDerWaalsContact C-N 3.34Å; V382-M384 HydrophobicContact CG1-CG 3.67Å; V382-M384 PolarHBondContact O-N 3.31Å; V382-M384 VanDerWaalsContact O-N 3.09Å
383I52.2Low49Very low148 Ų148117.2 Ų117.276%0.75968%0.676SS**  trans-78.687170.6-54.3173.6000107.1I381 N385I381-I383 HydrophobicContact CG2-CG1 4.23Å; I381-I383 PolarHBondContact O-N 3.05Å; I383-N385 PolarHBondContact O-N 3.13Å
384M42.1Very low47.4Very low171 Ų171123.8 Ų123.884%0.84271%0.707SS**  trans-76.4100.9171.2-72.5-165.5-99.300109.4V382V382-M384 VanDerWaalsContact C-N 3.34Å; V382-M384 HydrophobicContact CG1-CG 3.67Å; V382-M384 PolarHBondContact O-N 3.31Å; V382-M384 VanDerWaalsContact O-N 3.09Å
385N39.1Very low46.5Very low118 Ų118127.3 Ų127.363%0.63172%0.716SS**  trans-87.9120.5163.5-167.727.7000109.2I383I383-N385 PolarHBondContact O-N 3.13Å
386G49.1Very low45.8Very low66 Ų66125.6 Ų125.668%0.6871%0.713SS**  trans-97.1105.2171.900000111.1
387S34.1Very low44.6Very low94 Ų94127.3 Ų127.366%0.65771%0.714SS**SBendtrans64.9132.3-179.585.70000116
388N32.5Very low43.9Very low145 Ų145123.7 Ų123.778%0.77571%0.706SS**  cis-126.8139.3-20.2-93.8-23.9000105.4E390N388-E390 PolarHBondContact O-N 3.18Å
389G32.7Very low43.5Very low78 Ų78124.6 Ų124.680%0.80471%0.709SS**  trans-53.696.6-167.500000113.6
390E32.7Very low43.1Very low171 Ų171120 Ų12080%0.79969%0.694SS**  trans-138.8146.2147.8-86.2-157.1145.200110.5N388N388-E390 PolarHBondContact O-N 3.18Å
391P35.7Very low43.1Very low109 Ų109114.6 Ų114.671%0.70868%0.681SS**  trans-85.2162.2-138.7-6.224.6000110.9T393P391-T393 PolarHBondContact O-N 2.91Å; P391-T393 VanDerWaalsContact O-N 3.1Å
392A37.2Very low42.8Very low86 Ų86115.9 Ų115.971%0.71168%0.683SS**  trans-62.1114.5166.900000110.9
393T34.7Very low42.8Very low119 Ų119116.2 Ų116.273%0.7368%0.681SS**SBendtrans-114.3108.7148.8-31.90000106.7P391 Q395P391-T393 PolarHBondContact O-N 2.91Å; P391-T393 VanDerWaalsContact O-N 3.1Å; T393-Q395 PolarHBondContact O-N 2.96Å
394L40.6Very low42.5Very low162 Ų162115.6 Ų115.685%0.84867%0.673SS**SBendtrans54.9-17.4164.8-140.9100.9000121
395Q50.3Low43Very low159 Ų159112.3 Ų112.374%0.74366%0.663SS**SBendtrans-90.9-26.5-168.6-68.2-174.81.600115.1T393 L397 T398T393-Q395 PolarHBondContact O-N 2.96Å; Q395-L397 VanDerWaalsContact C-N 3.26Å; Q395-L397 PolarHBondContact O-N 2.81Å; Q395-T398 PolarHBondContact O-N 3.44Å; Q395-T398 PolarHBondContact O-OG1 2.9Å
396S50.2Low43.8Very low75 Ų75111.1 Ų111.152%0.52466%0.66SS.*G310 helixtrans-74-11.5-17967.60000114.7T398S396-T398 PolarHBondContact O-N 3.17Å
397L43.1Very low44Very low133 Ų133113.7 Ų113.770%0.69666%0.657SS**G310 helixtrans-69.8-18171-111.182.4000113Q395 N399Q395-L397 VanDerWaalsContact C-N 3.26Å; Q395-L397 PolarHBondContact O-N 2.81Å; L397-N399 VanDerWaalsContact C-N 3.34Å; L397-N399 PolarHBondContact O-N 2.91Å
398T51.6Low45Very low96 Ų96113.6 Ų113.659%0.58965%0.653SS**G310 helixtrans-74.8-21-175.756.90000113.7Q395 S396 G401Q395-T398 PolarHBondContact O-N 3.44Å; Q395-T398 PolarHBondContact O-OG1 2.9Å; S396-T398 PolarHBondContact O-N 3.17Å; T398-G401 PolarHBondContact O-N 3.04Å
399N47.5Very low46.2Very low94 Ų94109 Ų10950%0.50364%0.64SS.*SBendtrans-82.8-20.5-180-73.1-20.8000113.6L397 G401 K402L397-N399 VanDerWaalsContact C-N 3.34Å; L397-N399 PolarHBondContact O-N 2.91Å; N399-G401 PolarHBondContact O-N 3.17Å; N399-K402 PolarHBondContact O-N 3.43Å; N399-K402 VanDerWaalsContact O-N 3.08Å
400L45.3Very low47.6Very low124 Ų124109.3 Ų109.365%0.64963%0.626SS**Hα-helixtrans-65.1-24.3170.1-76.4164.8000112.2K402L400-K402 VanDerWaalsContact C-N 3.34Å
401G47.2Very low48.7Very low47 Ų47105 Ų10549%0.48561%0.612SS.*Hα-helixtrans-70.3-25.9172.400000113.9T398 N399 T405T398-G401 PolarHBondContact O-N 3.04Å; N399-G401 PolarHBondContact O-N 3.17Å; G401-T405 PolarHBondContact O-OG1 2.76Å; G401-T405 VanDerWaalsContact O-OG1 3.05Å
402K50Low49.9Very low145 Ų145102.4 Ų102.463%0.6360%0.595SS**Hα-helixtrans-81-36.8180-77-179175.2171.10112.6N399 L400 F404 T405N399-K402 PolarHBondContact O-N 3.43Å; N399-K402 VanDerWaalsContact O-N 3.08Å; L400-K402 VanDerWaalsContact C-N 3.34Å; K402-F404 VanDerWaalsContact C-N 3.29Å; K402-F404 PolarHBondContact O-N 3.05Å; K402-T405 WeakPolarHBondContact O-CB 3.38Å; K402-T405 PolarHBondContact O-N 2.99Å; K402-T405 VanDerWaalsContact O-N 3.08Å
403D50.7Low51.1Low100 Ų100104.6 Ų104.654%0.53559%0.59SS.*Hα-helixtrans-73.8-22.7-179.4-65.6-23.5000113.1T405 T406 L407D403-T405 VanDerWaalsContact C-N 3.27Å; D403-T405 PolarHBondContact O-N 3.41Å; D403-T406 PolarHBondContact O-OG1 2.98Å; D403-T406 VanDerWaalsContact O-OG1 3.06Å; D403-L407 PolarHBondContact O-N 2.9Å
404F45.6Very low52.3Low135 Ų135101.7 Ų101.759%0.59258%0.578SS**Hα-helixtrans-70.5-25.5170-155.3-98.6000112.4K402 V408K402-F404 VanDerWaalsContact C-N 3.29Å; K402-F404 PolarHBondContact O-N 3.05Å; F404-V408 VanDerWaalsContact O-CG2 3.29Å; F404-V408 WeakPolarHBondContact O-CG2 3.23Å
405T52.2Low53.2Low103 Ų10397 Ų9763%0.63255%0.553SS**Hα-helixtrans-80.7-29.7-178.1-46.10000111.7G401 K402 D403G401-T405 PolarHBondContact O-OG1 2.76Å; G401-T405 VanDerWaalsContact O-OG1 3.05Å; K402-T405 WeakPolarHBondContact O-CB 3.38Å; K402-T405 PolarHBondContact O-N 2.99Å; K402-T405 VanDerWaalsContact O-N 3.08Å; D403-T405 VanDerWaalsContact C-N 3.27Å; D403-T405 PolarHBondContact O-N 3.41Å
406T56.4Low53.8Low93 Ų9393.8 Ų93.857%0.57153%0.534SS*.Hα-helixtrans-81.9-29178.348.50000113.3D403 G409D403-T406 PolarHBondContact O-OG1 2.98Å; D403-T406 VanDerWaalsContact O-OG1 3.06Å; T406-G409 PolarHBondContact O-N 3.31Å
407L52.8Low54.4Low119 Ų11994.4 Ų94.462%0.62354%0.543SS*.Hα-helixtrans-72-27.1173.9-81.4165.6000113.6D403 G409 T410D403-L407 PolarHBondContact O-N 2.9Å; L407-G409 VanDerWaalsContact C-N 3.3Å; L407-T410 PolarHBondContact O-OG1 2.93Å; L407-T410 VanDerWaalsContact O-OG1 3.11Å
408V56.1Low55Low92 Ų9295.4 Ų95.456%0.55855%0.549SS*.Hα-helixtrans-74.4-23.7175.31730000111.7F404F404-V408 VanDerWaalsContact O-CG2 3.29Å; F404-V408 WeakPolarHBondContact O-CG2 3.23Å
409G58.5Low55.4Low50 Ų5094.5 Ų94.552%0.51554%0.543SS..THydrogen-bonded Turntrans-76.7-18.618000000115.5T406 L407 P412T406-G409 PolarHBondContact O-N 3.31Å; L407-G409 VanDerWaalsContact C-N 3.3Å; G409-P412 WeakPolarHBondContact O-CD 3.44Å
410T60.9Low55.8Low84 Ų8497.7 Ų97.752%0.51556%0.561SS.*THydrogen-bonded Turntrans-94.9-17.4-175.347.70000113.8L407 P412 H413 A414L407-T410 PolarHBondContact O-OG1 2.93Å; L407-T410 VanDerWaalsContact O-OG1 3.11Å; T410-P412 VanDerWaalsContact C-CD 3.47Å; T410-H413 PolarHBondContact O-N 2.82Å; T410-H413 VanDerWaalsContact O-N 3.15Å; T410-A414 PolarHBondContact O-N 3.41Å
411V57Low56.6Low80 Ų8095.7 Ų95.749%0.48555%0.553SS.*Hα-helixtrans-56.8-41.8177.6-178.90000113.1H413 A414 I415V411-H413 VanDerWaalsContact C-N 3.28Å; V411-H413 PolarHBondContact O-N 3.48Å; V411-A414 PolarHBondContact O-N 3.32Å; V411-I415 HydrophobicContact CG1-CD1 3.83Å; V411-I415 WeakPolarHBondContact O-CG1 3.08Å; V411-I415 PolarHBondContact O-N 3.41Å
412P58.9Low57.2Low55 Ų5596 Ų9636%0.35754%0.544SS..Hα-helixtrans-65.1-29178.4-21.334000113.7G409 T410 R416G409-P412 WeakPolarHBondContact O-CD 3.44Å; T410-P412 VanDerWaalsContact C-CD 3.47Å; P412-R416 PolarHBondContact O-N 3.3Å
413H63.3Low57.5Low132 Ų13291.7 Ų91.761%0.61153%0.527SS*.Hα-helixtrans-79.7-36.4-178.8-99.9-66.5000112.9T410 V411 I415 A417T410-H413 PolarHBondContact O-N 2.82Å; T410-H413 VanDerWaalsContact O-N 3.15Å; V411-H413 VanDerWaalsContact C-N 3.28Å; V411-H413 PolarHBondContact O-N 3.48Å; H413-I415 VanDerWaalsContact C-N 3.34Å; H413-A417 PolarHBondContact O-N 2.93Å
414A60Low57.9Low57 Ų5790.3 Ų90.347%0.47153%0.526SS..Hα-helixtrans-67.2-35.1176.900000112.5T410 V411 A417 L418T410-A414 PolarHBondContact O-N 3.41Å; V411-A414 PolarHBondContact O-N 3.32Å; A414-A417 PolarHBondContact O-N 3.24Å; A414-L418 PolarHBondContact O-N 2.69Å
415I59.7Low58.6Low65 Ų6590.5 Ų90.533%0.33353%0.528SS..Hα-helixtrans-76.9-36.7-179.4-57.9166.2000111.5V411 H413 A417 L418 T419 L423V411-I415 HydrophobicContact CG1-CD1 3.83Å; V411-I415 WeakPolarHBondContact O-CG1 3.08Å; V411-I415 PolarHBondContact O-N 3.41Å; H413-I415 VanDerWaalsContact C-N 3.34Å; I415-A417 VanDerWaalsContact C-N 3.29Å; I415-A417 PolarHBondContact O-N 3.44Å; I415-L418 PolarHBondContact O-N 3.23Å; I415-T419 HydrophobicContact CG2-CG2 4.46Å; I415-T419 PolarHBondContact O-N 3.44Å; I415-T419 VanDerWaalsContact O-N 3.09Å; I415-T419 PolarHBondContact O-OG1 3.35Å; I415-L423 HydrophobicContact CB-CD1 3.63Å; I415-L423 HydrophobicContact CD1-CD1 3.99Å; I415-L423 HydrophobicContact CG1-CD1 4.43Å; I415-L423 HydrophobicContact CG2-CD1 3.41Å; I415-L423 VanDerWaalsContact CG2-CD1 3.41Å
416R62Low58.8Low91 Ų9189.3 Ų89.334%0.34352%0.521SS..Hα-helixtrans-57.3-42.4170.6-109-175.7-178.7129.7-14.3111.8P412 L418 N420 D422P412-R416 PolarHBondContact O-N 3.3Å; R416-L418 VanDerWaalsContact C-N 3.34Å; R416-L418 PolarHBondContact O-N 2.81Å; R416-N420 WeakPolarHBondContact O-CA 3.31Å; R416-N420 PolarHBondContact O-N 2.82Å; R416-D422 IonicContact CZ-OD1 2.78Å; R416-D422 IonicContact CZ-OD2 3.87Å; R416-D422 IonicContact NE-OD1 3.81Å; R416-D422 PolarHBondContact NE-OD1 3.27Å; R416-D422 IonicContact NE-OD2 2.71Å; R416-D422 PolarHBondContact NE-OD2 2.97Å; R416-D422 IonicContact NH1-OD1 3.96Å; R416-D422 IonicContact NH2-OD1 3.32Å; R416-D422 PolarHBondContact NH2-OD1 2.86Å; R416-D422 IonicContact NH2-OD2 3.39Å; R416-D422 PolarHBondContact NH2-OD2 3.33Å
417A63.3Low59Low87 Ų8789.2 Ų89.272%0.71952%0.516SS*.Hα-helixtrans-70.4-26.9-176.900000113.9H413 A414 I415H413-A417 PolarHBondContact O-N 2.93Å; A414-A417 PolarHBondContact O-N 3.24Å; I415-A417 VanDerWaalsContact C-N 3.29Å; I415-A417 PolarHBondContact O-N 3.44Å
418L55.5Low59.3Low154 Ų15487.2 Ų87.281%0.80651%0.512SS*.Hα-helixtrans-98.6-29-175.5-75.2169.4000114.2A414 I415 R416A414-L418 PolarHBondContact O-N 2.69Å; I415-L418 PolarHBondContact O-N 3.23Å; R416-L418 VanDerWaalsContact C-N 3.34Å; R416-L418 PolarHBondContact O-N 2.81Å
419T61.3Low59.4Low78 Ų7891.5 Ų91.548%0.47952%0.523SS..Hα-helixtrans-115-8.7-17261.90000113.4I415 V421I415-T419 HydrophobicContact CG2-CG2 4.46Å; I415-T419 PolarHBondContact O-N 3.44Å; I415-T419 VanDerWaalsContact O-N 3.09Å; I415-T419 PolarHBondContact O-OG1 3.35Å; T419-V421 WeakPolarHBondContact O-CG2 3.35Å; T419-V421 PolarHBondContact O-N 2.78Å; T419-V421 VanDerWaalsContact O-N 3.11Å; T419-V421 PolarHBondContact OG1-N 2.76Å
420N54.5Low59.1Low161 Ų16194.5 Ų94.586%0.86153%0.526SS*.  trans54.321.7-169.5-147.427000112.7R416R416-N420 WeakPolarHBondContact O-CA 3.31Å; R416-N420 PolarHBondContact O-N 2.82Å
421V62.3Low58.4Low81 Ų8196.7 Ų96.749%0.49154%0.542SS..  trans-110.1136.1178.7-179.90000109.9T419T419-V421 WeakPolarHBondContact O-CG2 3.35Å; T419-V421 PolarHBondContact O-N 2.78Å; T419-V421 VanDerWaalsContact O-N 3.11Å; T419-V421 PolarHBondContact OG1-N 2.76Å
422D59.5Low58.6Low54 Ų5496.9 Ų96.929%0.28956%0.56SS.*  trans-106.994.2-166.5-156-36.1000111.4R416 S424 Q425R416-D422 IonicContact CZ-OD1 2.78Å; R416-D422 IonicContact CZ-OD2 3.87Å; R416-D422 IonicContact NE-OD1 3.81Å; R416-D422 PolarHBondContact NE-OD1 3.27Å; R416-D422 IonicContact NE-OD2 2.71Å; R416-D422 PolarHBondContact NE-OD2 2.97Å; R416-D422 IonicContact NH1-OD1 3.96Å; R416-D422 IonicContact NH2-OD1 3.32Å; R416-D422 PolarHBondContact NH2-OD1 2.86Å; R416-D422 IonicContact NH2-OD2 3.39Å; R416-D422 PolarHBondContact NH2-OD2 3.33Å; D422-S424 PolarHBondContact O-N 2.91Å; D422-S424 VanDerWaalsContact O-N 3.07Å; D422-S424 PolarHBondContact OD1-OG 2.98Å; D422-Q425 PolarHBondContact O-N 2.97Å
423L56.3Low58Low55 Ų5596.9 Ų96.929%0.28857%0.565SS.*Hα-helixtrans-61.5-19.2-172.4-79.5102.3000114.8I415 Q425 T426 I427I415-L423 HydrophobicContact CB-CD1 3.63Å; I415-L423 HydrophobicContact CD1-CD1 3.99Å; I415-L423 HydrophobicContact CG1-CD1 4.43Å; I415-L423 HydrophobicContact CG2-CD1 3.41Å; I415-L423 VanDerWaalsContact CG2-CD1 3.41Å; L423-Q425 PolarHBondContact O-N 3.19Å; L423-T426 WeakPolarHBondContact CA-OG1 3.31Å; L423-T426 PolarHBondContact O-N 3.15Å; L423-T426 PolarHBondContact O-OG1 2.85Å; L423-T426 VanDerWaalsContact O-OG1 3.08Å; L423-I427 PolarHBondContact O-N 3.32Å
424S60.8Low57.2Low71 Ų71100 Ų10050%0.49758%0.576SS.*Hα-helixtrans-63.1-28.3179.764.10000112.7D422D422-S424 PolarHBondContact O-N 2.91Å; D422-S424 VanDerWaalsContact O-N 3.07Å; D422-S424 PolarHBondContact OD1-OG 2.98Å
425Q59.2Low56.6Low138 Ų138102.2 Ų102.265%0.64558%0.584SS**Hα-helixtrans-96-14.9-178.3-63.8-170.11.400114.1D422 L423 S428D422-Q425 PolarHBondContact O-N 2.97Å; L423-Q425 PolarHBondContact O-N 3.19Å; Q425-S428 PolarHBondContact O-OG 3.06Å
426T56.3Low56.3Low78 Ų78104.9 Ų104.948%0.47960%0.603SS.*Hα-helixtrans-86.3-28.617651.90000112.3L423 S428L423-T426 WeakPolarHBondContact CA-OG1 3.31Å; L423-T426 PolarHBondContact O-N 3.15Å; L423-T426 PolarHBondContact O-OG1 2.85Å; L423-T426 VanDerWaalsContact O-OG1 3.08Å; T426-S428 VanDerWaalsContact C-N 3.3Å; T426-S428 PolarHBondContact O-N 3.17Å
427I59.9Low55.3Low92 Ų92104.8 Ų104.847%0.47261%0.614SS.*G310 helixtrans-71.5-23.2176.4-77.1169.1000112.4L423 K429L423-I427 PolarHBondContact O-N 3.32Å; I427-K429 VanDerWaalsContact C-N 3.28Å; I427-K429 PolarHBondContact O-N 2.83Å
428S59.6Low54.1Low77 Ų77107 Ų10754%0.53862%0.622SS.*G310 helixtrans-79.52.2178.458.90000115.1Q425 T426Q425-S428 PolarHBondContact O-OG 3.06Å; T426-S428 VanDerWaalsContact C-N 3.3Å; T426-S428 PolarHBondContact O-N 3.17Å
429K58.8Low53.2Low182 Ų182108.5 Ų108.579%0.79162%0.624SS**G310 helixtrans-106.36.7-179-69.6-175.2178.4179.30115.1I427I427-K429 VanDerWaalsContact C-N 3.28Å; I427-K429 PolarHBondContact O-N 2.83Å
430I51.3Low52.1Low112 Ų112108.3 Ų108.357%0.57464%0.638SS**SBendtrans-96125.3178-62.2173000110.2G432I430-G432 PolarHBondContact O-N 3.06Å
431P46.8Very low51.1Low130 Ų130112.5 Ų112.584%0.84466%0.658SS**THydrogen-bonded Turntrans-70116.4-179.827.9-32.2000110.7
432G61.8Low50.5Low84 Ų84114.1 Ų114.187%0.86667%0.666SS**THydrogen-bonded Turntrans120-13.8178.600000115I430I430-G432 PolarHBondContact O-N 3.06Å
433A45.5Very low50Low56 Ų56117.3 Ų117.346%0.46369%0.686SS.*  trans-89.5109.4176.900000111.3V435A433-V435 PolarHBondContact O-N 3.14Å
434K46.3Very low49.7Very low196 Ų196120.7 Ų120.785%0.85271%0.708SS**  trans-82.6108169.1-79.2-178.3176.3178.40109.4V436K434-V436 PolarHBondContact O-N 3.09Å
435V48.8Very low49Very low104 Ų104123.6 Ų123.663%0.6372%0.721SS**  trans-79.1107.3165.6-176.50000107.6A433A433-V435 PolarHBondContact O-N 3.14Å
436V53.4Low48.4Very low121 Ų121122.8 Ų122.873%0.73373%0.725SS**  trans-85.7125173.6-178.20000107.5K434K434-V436 PolarHBondContact O-N 3.09Å
437P40.7Very low47.9Very low89 Ų89125.7 Ų125.758%0.57874%0.742SS**  trans-72.8160.1-179.531.5-34.2000111Q439P437-Q439 PolarHBondContact O-N 2.95Å
438P37.9Very low47Very low135 Ų135128.1 Ų128.188%0.87776%0.761SS**  trans-72.6114174.829.8-30.1000109.6
439Q36.5Very low46Very low184 Ų184132.1 Ų132.186%0.8678%0.778SS**  trans-99.4138.7155-67.8-172.4-12.800107.4P437P437-Q439 PolarHBondContact O-N 2.95Å
440G37.5Very low45Very low75 Ų75127.9 Ų127.977%0.77378%0.777SS**  trans-66.1155.8-158.300000118.1
441I33.1Very low44.4Very low249 Ų249129.4 Ų129.4100%1.27780%0.796SS**  -166.10113.6-85.9158.9000106.7

Retrieved 441 of 441 residues in 645.2 ms (Link to these results)

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