A0A087YME4_POEFO Loading...

E3 ubiquitin-protein ligase FANCL

AlphaFold DB , UniProt , Accession A0A087YME4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 371 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
1M47.7Very low69.7Low172 Ų17293.9 Ų93.985%0.84748%0.48SS*.  0-52.60-122.5-178.9-80.600111.5S3 L4 L5 D76M1-S3 PolarHBondContact O-N 3.31Å; M1-L4 PolarHBondContact O-N 3.46Å; M1-L5 PolarHBondContact O-N 3.05Å; M1-D76 HydrophobicContact SD-CB 4.38Å
2E50.7Low71.3Confident112 Ų11286.1 Ų86.152%0.52344%0.44SS..Hα-helixtrans-62.9-35.8178.2-161.6163.5-162.600113.8L4 L6 K19E2-L4 VanDerWaalsContact C-N 3.32Å; E2-L4 PolarHBondContact O-N 3.44Å; E2-L6 HydrophobicContact CG-CD1 4.22Å; E2-K19 WeakPolarHBondContact OE1-CE 3.19Å; E2-K19 IonicContact OE1-NZ 2.81Å; E2-K19 PolarHBondContact OE1-NZ 3.4Å; E2-K19 IonicContact OE2-NZ 2.84Å; E2-K19 PolarHBondContact OE2-NZ 3.43Å
3S57.9Low72.7Confident90 Ų9086.2 Ų86.263%0.62944%0.441SS*.Hα-helixtrans-72.7-17.9178.159.70000115M1 R7M1-S3 PolarHBondContact O-N 3.31Å; S3-R7 WeakPolarHBondContact O-CB 3.44Å
4L62.7Low73.9Confident98 Ų9883.2 Ų83.251%0.51343%0.43SS..Hα-helixtrans-89.1-47.2-178.5-85142.7000110.7M1 E2 L6 R7 D8M1-L4 PolarHBondContact O-N 3.46Å; E2-L4 VanDerWaalsContact C-N 3.32Å; E2-L4 PolarHBondContact O-N 3.44Å; L4-L6 PolarHBondContact O-N 3.24Å; L4-R7 PolarHBondContact O-N 3.48Å; L4-R7 VanDerWaalsContact O-N 3.11Å; L4-D8 WeakPolarHBondContact O-CB 3.41Å; L4-D8 VanDerWaalsContact O-CG 3.3Å; L4-D8 PolarHBondContact O-N 2.86Å
5L72Confident74.9Confident19 Ų1984.7 Ų84.710%0.09944%0.438CS..Hα-helixtrans-62.6-42.4179.6-170.4135.4000112.6M1 R7 N9 Y22 L77M1-L5 PolarHBondContact O-N 3.05Å; L5-R7 VanDerWaalsContact C-N 3.31Å; L5-N9 WeakPolarHBondContact O-CA 3.47Å; L5-N9 WeakPolarHBondContact O-CB 3.38Å; L5-N9 PolarHBondContact O-N 2.89Å; L5-Y22 HydrophobicContact CD2-CD1 4.49Å; L5-Y22 HydrophobicContact CD2-CE1 4.23Å; L5-L77 HydrophobicContact CD1-CB 3.74Å; L5-L77 HydrophobicContact CD1-CD2 3.78Å; L5-L77 HydrophobicContact CD1-CG 3.67Å
6L71.8Confident75.6Confident69 Ų6982.8 Ų82.836%0.36143%0.429SS..Hα-helixtrans-70.7-26.2176-79.9158.2000112.9E2 L4 P10 L13E2-L6 HydrophobicContact CG-CD1 4.22Å; L4-L6 PolarHBondContact O-N 3.24Å; L6-P10 WeakPolarHBondContact O-CA 3.46Å; L6-L13 HydrophobicContact CD2-CD2 3.57Å
7R74.3Confident75.9Confident201 Ų20190.6 Ų90.676%0.75846%0.459SS*.Hα-helixtrans-77.1-40.7176.4-177.1179.5-175.5-170.50.1111.6S3 L4 L5S3-R7 WeakPolarHBondContact O-CB 3.44Å; L4-R7 PolarHBondContact O-N 3.48Å; L4-R7 VanDerWaalsContact O-N 3.11Å; L5-R7 VanDerWaalsContact C-N 3.31Å
8D77.7Confident76.2Confident92 Ų9295.1 Ų95.149%0.49248%0.475SS..Hα-helixtrans-88.3-19.7-176.6-58.3-26.3000112.7L4 K85L4-D8 WeakPolarHBondContact O-CB 3.41Å; L4-D8 VanDerWaalsContact O-CG 3.3Å; L4-D8 PolarHBondContact O-N 2.86Å; D8-K85 PolarHBondContact O-NZ 3.49Å
9N82.5Confident76.5Confident10 Ų1093.9 Ų93.95%0.05347%0.467CS..  trans-141.470-179.5-56.5-79.7000110.9L5 L11 L12 I81 K85L5-N9 WeakPolarHBondContact O-CA 3.47Å; L5-N9 WeakPolarHBondContact O-CB 3.38Å; L5-N9 PolarHBondContact O-N 2.89Å; N9-L11 PolarHBondContact O-N 2.74Å; N9-L11 VanDerWaalsContact O-N 3.11Å; N9-L12 HydrophobicContact CB-CB 4.2Å; N9-L12 PolarHBondContact O-N 2.97Å; N9-L12 VanDerWaalsContact O-N 3.13Å; N9-I81 WeakPolarHBondContact OD1-CG2 3.39Å; N9-K85 WeakPolarHBondContact OD1-CE 3.46Å; N9-K85 PolarHBondContact OD1-NZ 2.96Å
10P83Confident77Confident86 Ų8690.6 Ų90.656%0.55845%0.451SS*.THydrogen-bonded Turntrans-64.3-20.5-173.926.3-35.3000113.6L6L6-P10 WeakPolarHBondContact O-CA 3.46Å
11L86.7Confident77.6Confident84 Ų8487.7 Ų87.744%0.4444%0.439SS..THydrogen-bonded Turntrans-90.80.9-179.4-58.9179.5000113.8N9 G24 F25N9-L11 PolarHBondContact O-N 2.74Å; N9-L11 VanDerWaalsContact O-N 3.11Å; L11-G24 CarbonylContact O-C 3.56Å; L11-G24 WeakPolarHBondContact O-CA 3.45Å; L11-F25 HydrophobicContact CB-CB 4.03Å; L11-F25 HydrophobicContact CD1-CB 4.16Å; L11-F25 PolarHBondContact O-N 3.42Å
12L89.2Confident79.7Confident0 Ų081 Ų810%040%0.404CS..EExtended strand (participates in β ladder)trans-110.4106.7178.1-176.765.6000110.3N9 I35 I81N9-L12 HydrophobicContact CB-CB 4.2Å; N9-L12 PolarHBondContact O-N 2.97Å; N9-L12 VanDerWaalsContact O-N 3.13Å; L12-I35 HydrophobicContact CD1-CD1 4.01Å; L12-I35 HydrophobicContact CD1-CG1 3.97Å; L12-I35 HydrophobicContact CD2-CD1 4.19Å; L12-I81 HydrophobicContact CD2-CD1 3.81Å; L12-I81 HydrophobicContact CD2-CG1 3.91Å
13L89.1Confident81.7Confident87 Ų8777 Ų7746%0.45539%0.386SS..EExtended strand (participates in β ladder)trans-115.6143.5-169.3-60177.4000112.3L6 L15 Y22 D23L6-L13 HydrophobicContact CD2-CD2 3.57Å; L13-L15 PolarHBondContact O-N 3.27Å; L13-Y22 WeakPolarHBondContact O-CA 3.48Å; L13-D23 PolarHBondContact N-O 3.12Å; L13-D23 PolarHBondContact O-N 3.32Å
14P89.7Confident83.3Confident45 Ų4573.1 Ų73.129%0.29236%0.361SS..EExtended strand (participates in β ladder)trans-71.2126.3170.728.8-32000110.5K19 V21 Y22P14-K19 HydrophobicContact CB-CG 4.38Å; P14-V21 CarbonylContact C-O 3.55Å; P14-V21 WeakPolarHBondContact CA-O 3.2Å; P14-Y22 HydrophobicContact CB-CD1 4.12Å; P14-Y22 HydrophobicContact CB-CE1 3.82Å; P14-Y22 HydrophobicContact CG-CE1 4.33Å
15L88.6Confident84.7Confident105 Ų10572.8 Ų72.855%0.5536%0.355SS..  trans-86.2-12.2-179.6-69.4-172.4000114L13 V21 D23L13-L15 PolarHBondContact O-N 3.27Å; L15-V21 HydrophobicContact CB-CB 4.31Å; L15-V21 HydrophobicContact CB-CG1 4.07Å; L15-V21 HydrophobicContact CD1-CG1 3.95Å; L15-V21 HydrophobicContact CG-CG1 4.31Å; L15-V21 PolarHBondContact N-O 3.12Å; L15-D23 HydrophobicContact CD1-CB 3.45Å; L15-D23 VanDerWaalsContact CD1-CB 3.45Å; L15-D23 HydrophobicContact CD2-CB 4.2Å; L15-D23 HydrophobicContact CG-CB 3.75Å
16N86.5Confident85.6Confident54 Ų5472 Ų7229%0.28935%0.351SS..SBendtrans-136.8154-178.468.7-0.1000112.9K18 K19 T20 V21N16-K18 PolarHBondContact O-N 3.09Å; N16-K19 PolarHBondContact O-N 3.19Å; N16-K19 VanDerWaalsContact OD1-CA 3.32Å; N16-K19 WeakPolarHBondContact OD1-CA 3.42Å; N16-K19 PolarHBondContact OD1-N 2.91Å; N16-T20 PolarHBondContact ND2-OG1 3.08Å; N16-T20 PolarHBondContact OD1-N 2.76Å; N16-V21 PolarHBondContact OD1-N 3.33Å
17K80.4Confident86.3Confident216 Ų21671.6 Ų71.694%0.93935%0.351SS*.THydrogen-bonded Turntrans-60.4-26.8178.9-64.9-173.9178.7-177.40113.2K19K17-K19 VanDerWaalsContact C-N 3.26Å; K17-K19 PolarHBondContact O-N 3.12Å
18K81.1Confident86.9Confident172 Ų17262.2 Ų62.275%0.74832%0.317SS*.THydrogen-bonded Turntrans-79.6-5.2177.3-62.5-172.8179.3-176.70113.3N16 T20N16-K18 PolarHBondContact O-N 3.09Å; K18-T20 HydrophobicContact CB-CG2 4.08Å; K18-T20 PolarHBondContact O-N 3.25Å
19K82.9Confident87.1Confident73 Ų7362.3 Ų62.332%0.31731%0.314SS..  trans52.535.4179.9-59.9174.7179.1171.40113.5E2 P14 N16 K17 Y22E2-K19 WeakPolarHBondContact OE1-CE 3.19Å; E2-K19 IonicContact OE1-NZ 2.81Å; E2-K19 PolarHBondContact OE1-NZ 3.4Å; E2-K19 IonicContact OE2-NZ 2.84Å; E2-K19 PolarHBondContact OE2-NZ 3.43Å; P14-K19 HydrophobicContact CB-CG 4.38Å; N16-K19 PolarHBondContact O-N 3.19Å; N16-K19 VanDerWaalsContact OD1-CA 3.32Å; N16-K19 WeakPolarHBondContact OD1-CA 3.42Å; N16-K19 PolarHBondContact OD1-N 2.91Å; K17-K19 VanDerWaalsContact C-N 3.26Å; K17-K19 PolarHBondContact O-N 3.12Å; K19-Y22 VanDerWaalsContact O-CE2 3.28Å; K19-Y22 WeakPolarHBondContact O-CE2 3.36Å
20T86Confident87Confident26 Ų2671 Ų7116%0.1635%0.354CS..  trans-96.5-8.7176.766.70000112.5N16 K18 L39 L43N16-T20 PolarHBondContact ND2-OG1 3.08Å; N16-T20 PolarHBondContact OD1-N 2.76Å; K18-T20 HydrophobicContact CB-CG2 4.08Å; K18-T20 PolarHBondContact O-N 3.25Å; T20-L39 PolarHBondContact O-N 3.03Å; T20-L43 HydrophobicContact CG2-CD2 3.86Å
21V90.1Very high86.9Confident31 Ų3172 Ų7219%0.18835%0.347CS..EExtended strand (participates in β ladder)trans-131.6123-179.4-178.50000108.9P14 L15 N16 L38P14-V21 CarbonylContact C-O 3.55Å; P14-V21 WeakPolarHBondContact CA-O 3.2Å; L15-V21 HydrophobicContact CB-CB 4.31Å; L15-V21 HydrophobicContact CB-CG1 4.07Å; L15-V21 HydrophobicContact CD1-CG1 3.95Å; L15-V21 HydrophobicContact CG-CG1 4.31Å; L15-V21 PolarHBondContact N-O 3.12Å; N16-V21 PolarHBondContact OD1-N 3.33Å; V21-L38 HydrophobicContact CB-CD2 4.29Å; V21-L38 HydrophobicContact CG1-CD2 3.84Å; V21-L38 HydrophobicContact CG2-CD2 3.78Å
22Y91.4Very high87Confident32 Ų3272.3 Ų72.313%0.12535%0.349CS..EExtended strand (participates in β ladder)trans-116.6133.6172.4-68.3-99.3000109.1L5 L13 P14 K19 R36 I37 L39 L77L5-Y22 HydrophobicContact CD2-CD1 4.49Å; L5-Y22 HydrophobicContact CD2-CE1 4.23Å; L13-Y22 WeakPolarHBondContact O-CA 3.48Å; P14-Y22 HydrophobicContact CB-CD1 4.12Å; P14-Y22 HydrophobicContact CB-CE1 3.82Å; P14-Y22 HydrophobicContact CG-CE1 4.33Å; K19-Y22 VanDerWaalsContact O-CE2 3.28Å; K19-Y22 WeakPolarHBondContact O-CE2 3.36Å; Y22-R36 CarbonylContact O-C 3.48Å; Y22-R36 VanDerWaalsContact O-CA 3.26Å; Y22-R36 WeakPolarHBondContact O-CA 3.46Å; Y22-I37 PolarHBondContact N-O 3.15Å; Y22-I37 PolarHBondContact O-N 3.49Å; Y22-L39 HydrophobicContact CD2-CD1 4.24Å; Y22-L39 HydrophobicContact CE2-CD1 3.79Å; Y22-L77 HydrophobicContact CD1-CD2 3.83Å; Y22-L77 HydrophobicContact CD2-CD2 3.54Å; Y22-L77 HydrophobicContact CE1-CD2 3.82Å; Y22-L77 HydrophobicContact CE2-CD2 3.54Å; Y22-L77 HydrophobicContact CG-CD2 3.69Å
23D92.1Very high87.1Confident27 Ų2772.4 Ų72.414%0.14435%0.349CS..EExtended strand (participates in β ladder)trans-138.4142.8178.5-163.649.6000109.1L13 L15 R34 R36L13-D23 PolarHBondContact N-O 3.12Å; L13-D23 PolarHBondContact O-N 3.32Å; L15-D23 HydrophobicContact CD1-CB 3.45Å; L15-D23 VanDerWaalsContact CD1-CB 3.45Å; L15-D23 HydrophobicContact CD2-CB 4.2Å; L15-D23 HydrophobicContact CG-CB 3.75Å; D23-R34 IonicContact OD2-NH2 3.9Å; D23-R36 HydrophobicContact CB-CG 4.47Å; D23-R36 VanDerWaalsContact CG-NH2 3.33Å; D23-R36 VanDerWaalsContact OD1-CB 3.29Å; D23-R36 WeakPolarHBondContact OD1-CB 3.21Å; D23-R36 IonicContact OD1-CZ 3.95Å; D23-R36 IonicContact OD1-NE 2.92Å; D23-R36 PolarHBondContact OD1-NE 3.36Å; D23-R36 IonicContact OD1-NH2 2.75Å; D23-R36 PolarHBondContact OD1-NH2 2.97Å; D23-R36 IonicContact OD2-CZ 3.47Å; D23-R36 IonicContact OD2-NE 2.73Å; D23-R36 IonicContact OD2-NH2 3.77Å; D23-R36 PolarHBondContact OD2-NH2 2.84Å
24G92.1Very high87.2Confident9 Ų974.1 Ų74.19%0.09335%0.35CS..EExtended strand (participates in β ladder)trans157.4-151.7-177.900000114.2L11 R34 I35L11-G24 CarbonylContact O-C 3.56Å; L11-G24 WeakPolarHBondContact O-CA 3.45Å; G24-R34 CarbonylContact O-C 3.58Å; G24-R34 WeakPolarHBondContact O-CA 3.29Å; G24-I35 PolarHBondContact N-O 2.91Å; G24-I35 PolarHBondContact O-N 3.37Å; G24-I35 VanDerWaalsContact O-O 3.1Å
25F91.1Very high87.4Confident91 Ų9172 Ų7240%0.39934%0.336SS..EExtended strand (participates in β ladder)trans-123.9148.1-177.9-60.3-94.7000111.5L11 D32 F33 R34L11-F25 HydrophobicContact CB-CB 4.03Å; L11-F25 HydrophobicContact CD1-CB 4.16Å; L11-F25 PolarHBondContact O-N 3.42Å; F25-D32 HydrophobicContact CD1-CB 4.24Å; F25-F33 VanDerWaalsContact CA-O 3.32Å; F25-F33 WeakPolarHBondContact CA-O 3.45Å; F25-R34 HydrophobicContact CD1-CB 3.96Å; F25-R34 HydrophobicContact CE1-CB 3.71Å; F25-R34 HydrophobicContact CE1-CG 4.18Å; F25-R34 HydrophobicContact CZ-CB 4.4Å; F25-R34 HydrophobicContact CZ-CG 4.4Å
26I91.3Very high87.6Confident1 Ų171.6 Ų71.61%0.00533%0.327CS..EExtended strand (participates in β ladder)trans-115.2132.4163.854.1170.3000108.7F33 I35 I81 L84 L88I26-F33 HydrophobicContact CG1-CB 4.12Å; I26-F33 PolarHBondContact N-O 3.28Å; I26-F33 PolarHBondContact O-N 3.13Å; I26-I35 HydrophobicContact CB-CD1 4.47Å; I26-I35 HydrophobicContact CD1-CD1 4.35Å; I26-I35 HydrophobicContact CD1-CG2 4.05Å; I26-I35 HydrophobicContact CG1-CD1 4.29Å; I26-I35 HydrophobicContact CG1-CG1 4.45Å; I26-I35 HydrophobicContact CG1-CG2 4.05Å; I26-I35 HydrophobicContact CG2-CD1 3.44Å; I26-I35 VanDerWaalsContact CG2-CD1 3.44Å; I26-I35 HydrophobicContact CG2-CG1 4.09Å; I26-I81 HydrophobicContact CG2-CD1 4.36Å; I26-I81 HydrophobicContact CG2-CG2 4.01Å; I26-L84 HydrophobicContact CD1-CD2 3.9Å; I26-L84 HydrophobicContact CD1-CG 4.27Å; I26-L88 HydrophobicContact CD1-CD1 3.52Å
27T87.6Confident87.9Confident61 Ų6169.1 Ų69.137%0.37431%0.314SS..EExtended strand (participates in β ladder)trans-99.4127.6177.6-47.60000109.2R31 D32T27-R31 WeakPolarHBondContact CA-O 3.48Å; T27-D32 VanDerWaalsContact CB-OD1 3.3Å; T27-D32 WeakPolarHBondContact CB-OD1 3.37Å; T27-D32 VanDerWaalsContact CG2-OD1 3.29Å; T27-D32 WeakPolarHBondContact CG2-OD1 3.29Å; T27-D32 PolarHBondContact OG1-OD1 3.41Å
28V86Confident88.4Confident4 Ų461.4 Ų61.42%0.02428%0.283CS..EExtended strand (participates in β ladder)trans-138.2124.7175.6-176.80000108E30 R31 K85 L88 E89 L92V28-E30 VanDerWaalsContact C-N 3.31Å; V28-E30 PolarHBondContact O-N 2.89Å; V28-R31 PolarHBondContact N-O 3.4Å; V28-R31 PolarHBondContact O-N 3.42Å; V28-K85 HydrophobicContact CG2-CB 4.05Å; V28-K85 HydrophobicContact CG2-CD 4.46Å; V28-K85 HydrophobicContact CG2-CG 3.76Å; V28-L88 HydrophobicContact CG1-CB 4.2Å; V28-L88 HydrophobicContact CG2-CB 4.18Å; V28-L88 HydrophobicContact CG2-CD1 4.1Å; V28-E89 HydrophobicContact CG1-CB 4.48Å; V28-E89 HydrophobicContact CG1-CG 3.46Å; V28-E89 VanDerWaalsContact CG1-CG 3.46Å; V28-L92 HydrophobicContact CB-CD1 4.24Å; V28-L92 HydrophobicContact CG1-CD1 3.78Å
29Q81.7Confident88.8Confident94 Ų9454.3 Ų54.344%0.43925%0.253SS..THydrogen-bonded Turntrans47.350.4-177.6-62.6-179.5-13.400113.1R31 N93Q29-R31 PolarHBondContact O-N 2.92Å; Q29-R31 VanDerWaalsContact O-N 3.08Å; Q29-N93 PolarHBondContact NE2-OD1 2.9Å
30E80.4Confident89Confident193 Ų19351.9 Ų51.990%0.90224%0.244SC*.THydrogen-bonded Turntrans63.19.9-178.9-51.3-174166.400115.8V28V28-E30 VanDerWaalsContact C-N 3.31Å; V28-E30 PolarHBondContact O-N 2.89Å
31R81.6Confident88.7Confident108 Ų10856.7 Ų56.741%0.40828%0.276SS..EExtended strand (participates in β ladder)trans-107.8131.2174.9-58.6-179.976.9-1776.1110.9T27 V28 Q29 F33T27-R31 WeakPolarHBondContact CA-O 3.48Å; V28-R31 PolarHBondContact N-O 3.4Å; V28-R31 PolarHBondContact O-N 3.42Å; Q29-R31 PolarHBondContact O-N 2.92Å; Q29-R31 VanDerWaalsContact O-N 3.08Å; R31-F33 HydrophobicContact CB-CE2 3.78Å; R31-F33 HydrophobicContact CB-CZ 3.94Å
32D88.6Confident88.4Confident90 Ų9059.1 Ų59.148%0.48129%0.288SS..EExtended strand (participates in β ladder)trans-95.3125177.8-69.2-26000111.7F25 T27F25-D32 HydrophobicContact CD1-CB 4.24Å; T27-D32 VanDerWaalsContact CB-OD1 3.3Å; T27-D32 WeakPolarHBondContact CB-OD1 3.37Å; T27-D32 VanDerWaalsContact CG2-OD1 3.29Å; T27-D32 WeakPolarHBondContact CG2-OD1 3.29Å; T27-D32 PolarHBondContact OG1-OD1 3.41Å
33F90.2Very high87.8Confident1 Ų162 Ų620%0.00431%0.305CS..EExtended strand (participates in β ladder)trans-115.1124.6176-60.1-80.3000110.7F25 I26 R31 I35 L56 L59 L92F25-F33 VanDerWaalsContact CA-O 3.32Å; F25-F33 WeakPolarHBondContact CA-O 3.45Å; I26-F33 HydrophobicContact CG1-CB 4.12Å; I26-F33 PolarHBondContact N-O 3.28Å; I26-F33 PolarHBondContact O-N 3.13Å; R31-F33 HydrophobicContact CB-CE2 3.78Å; R31-F33 HydrophobicContact CB-CZ 3.94Å; F33-I35 PolarHBondContact O-N 2.82Å; F33-L56 HydrophobicContact CB-CB 4.27Å; F33-L56 HydrophobicContact CB-CD1 4.12Å; F33-L56 HydrophobicContact CB-CD2 3.85Å; F33-L56 HydrophobicContact CB-CG 4.31Å; F33-L56 HydrophobicContact CD1-CB 3.98Å; F33-L56 HydrophobicContact CD1-CD1 4.09Å; F33-L56 HydrophobicContact CD2-CD1 4.49Å; F33-L56 HydrophobicContact CG-CB 4.4Å; F33-L56 HydrophobicContact CG-CD1 3.97Å; F33-L59 HydrophobicContact CE1-CD1 3.55Å; F33-L59 HydrophobicContact CZ-CD1 3.65Å; F33-L92 HydrophobicContact CE2-CD1 4.34Å; F33-L92 HydrophobicContact CZ-CD2 4.38Å
34R92.3Very high87.3Confident124 Ų12465.6 Ų65.647%0.46832%0.321SS..EExtended strand (participates in β ladder)trans-71.9127.3175.7-171.4178.9178.8176.34.7110.5D23 G24 F25 C52 C53D23-R34 IonicContact OD2-NH2 3.9Å; G24-R34 CarbonylContact O-C 3.58Å; G24-R34 WeakPolarHBondContact O-CA 3.29Å; F25-R34 HydrophobicContact CD1-CB 3.96Å; F25-R34 HydrophobicContact CE1-CB 3.71Å; F25-R34 HydrophobicContact CE1-CG 4.18Å; F25-R34 HydrophobicContact CZ-CB 4.4Å; F25-R34 HydrophobicContact CZ-CG 4.4Å; R34-C52 WeakPolarHBondContact O-CA 3.28Å; R34-C53 HydrophobicContact CB-CB 4.37Å; R34-C53 PolarHBondContact O-N 2.9Å; R34-C53 VanDerWaalsContact O-N 3.11Å
35I93.8Very high86.9Confident1 Ų166 Ų661%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-131.7153.4175.662.8163.3000111.8L12 G24 I26 F33 I37 L50 H51 C52 L56 I81L12-I35 HydrophobicContact CD1-CD1 4.01Å; L12-I35 HydrophobicContact CD1-CG1 3.97Å; L12-I35 HydrophobicContact CD2-CD1 4.19Å; G24-I35 PolarHBondContact N-O 2.91Å; G24-I35 PolarHBondContact O-N 3.37Å; G24-I35 VanDerWaalsContact O-O 3.1Å; I26-I35 HydrophobicContact CB-CD1 4.47Å; I26-I35 HydrophobicContact CD1-CD1 4.35Å; I26-I35 HydrophobicContact CD1-CG2 4.05Å; I26-I35 HydrophobicContact CG1-CD1 4.29Å; I26-I35 HydrophobicContact CG1-CG1 4.45Å; I26-I35 HydrophobicContact CG1-CG2 4.05Å; I26-I35 HydrophobicContact CG2-CD1 3.44Å; I26-I35 VanDerWaalsContact CG2-CD1 3.44Å; I26-I35 HydrophobicContact CG2-CG1 4.09Å; F33-I35 PolarHBondContact O-N 2.82Å; I35-I37 HydrophobicContact CD1-CD1 4.14Å; I35-L50 HydrophobicContact CB-CD1 4.31Å; I35-L50 HydrophobicContact CG2-CD1 4.49Å; I35-H51 CarbonylContact C-O 3.57Å; I35-H51 WeakPolarHBondContact CA-O 3.39Å; I35-C52 HydrophobicContact CG2-CB 4.29Å; I35-L56 HydrophobicContact CG2-CD2 3.27Å; I35-I81 HydrophobicContact CD1-CD1 3.63Å
36R93.4Very high86.4Confident96 Ų9668.5 Ų68.536%0.36233%0.332SS..EExtended strand (participates in β ladder)trans-138126.7171.3-179175.7-69.2-169.3-9.3109.6Y22 D23 H51Y22-R36 CarbonylContact O-C 3.48Å; Y22-R36 VanDerWaalsContact O-CA 3.26Å; Y22-R36 WeakPolarHBondContact O-CA 3.46Å; D23-R36 HydrophobicContact CB-CG 4.47Å; D23-R36 VanDerWaalsContact CG-NH2 3.33Å; D23-R36 VanDerWaalsContact OD1-CB 3.29Å; D23-R36 WeakPolarHBondContact OD1-CB 3.21Å; D23-R36 IonicContact OD1-CZ 3.95Å; D23-R36 IonicContact OD1-NE 2.92Å; D23-R36 PolarHBondContact OD1-NE 3.36Å; D23-R36 IonicContact OD1-NH2 2.75Å; D23-R36 PolarHBondContact OD1-NH2 2.97Å; D23-R36 IonicContact OD2-CZ 3.47Å; D23-R36 IonicContact OD2-NE 2.73Å; D23-R36 IonicContact OD2-NH2 3.77Å; D23-R36 PolarHBondContact OD2-NH2 2.84Å; R36-H51 HydrophobicContact CB-CB 4.16Å; R36-H51 PolarHBondContact N-O 3.06Å; R36-H51 PolarHBondContact O-N 2.88Å
37I91.9Very high86Confident1 Ų177.5 Ų77.51%0.00537%0.366CS..EExtended strand (participates in β ladder)trans-116.8123.1-179.2-59.2174.6000108.8Y22 I35 L39 A48 R49 L50 L77 F80 I81Y22-I37 PolarHBondContact N-O 3.15Å; Y22-I37 PolarHBondContact O-N 3.49Å; I35-I37 HydrophobicContact CD1-CD1 4.14Å; I37-L39 HydrophobicContact CG2-CD2 4.22Å; I37-A48 HydrophobicContact CG2-CB 4.49Å; I37-R49 WeakPolarHBondContact CA-O 3.3Å; I37-L50 HydrophobicContact CD1-CD1 4.16Å; I37-L50 HydrophobicContact CG1-CD1 3.65Å; I37-L77 HydrophobicContact CD1-CD1 3.72Å; I37-L77 HydrophobicContact CG2-CD1 3.99Å; I37-F80 HydrophobicContact CD1-CD1 4.16Å; I37-F80 HydrophobicContact CD1-CE1 3.95Å; I37-I81 HydrophobicContact CD1-CD1 3.6Å
38L91.3Very high86Confident55 Ų5575.2 Ų75.229%0.28835%0.353SS..EExtended strand (participates in β ladder)trans-104.6114.4175.2-57.5174.9000108.7V21 A48 R49 H51V21-L38 HydrophobicContact CB-CD2 4.29Å; V21-L38 HydrophobicContact CG1-CD2 3.84Å; V21-L38 HydrophobicContact CG2-CD2 3.78Å; L38-A48 CarbonylContact O-C 3.58Å; L38-A48 WeakPolarHBondContact O-CA 3.35Å; L38-R49 HydrophobicContact CB-CB 4.25Å; L38-R49 PolarHBondContact N-O 3.46Å; L38-R49 PolarHBondContact O-N 3.26Å; L38-H51 WeakPolarHBondContact CD1-NE2 3.29Å
39L88.9Confident86.2Confident22 Ų2283.3 Ų83.312%0.11538%0.383CS..  trans-91.4143.2172.2-59.4174.3000110T20 Y22 I37 L43 L45 A48T20-L39 PolarHBondContact O-N 3.03Å; Y22-L39 HydrophobicContact CD2-CD1 4.24Å; Y22-L39 HydrophobicContact CE2-CD1 3.79Å; I37-L39 HydrophobicContact CG2-CD2 4.22Å; L39-L43 HydrophobicContact CD1-CD2 4.35Å; L39-L45 HydrophobicContact CD2-CD2 3.69Å; L39-L45 HydrophobicContact CD2-CG 4.36Å; L39-A48 HydrophobicContact CD2-CB 3.73Å
40P86.8Confident86.6Confident22 Ų2281 Ų8114%0.14337%0.373CS..  trans-63.1165.1168.329.9-39.4000112.4D42 L43 Q44 R47P40-D42 VanDerWaalsContact CB-OD1 3.23Å; P40-D42 WeakPolarHBondContact CB-OD1 3.47Å; P40-D42 WeakPolarHBondContact CG-OD1 3.18Å; P40-D42 PolarHBondContact O-N 2.87Å; P40-L43 WeakPolarHBondContact O-CA 3.42Å; P40-L43 PolarHBondContact O-N 3.33Å; P40-Q44 VanDerWaalsContact CD-O 3.29Å; P40-Q44 WeakPolarHBondContact CD-O 3.5Å; P40-Q44 WeakPolarHBondContact CG-O 3.36Å; P40-R47 HydrophobicContact CB-CB 4.48Å; P40-R47 HydrophobicContact CG-CB 4.04Å
41P81.3Confident87.1Confident128 Ų12876.1 Ų76.183%0.83135%0.35SS*.THydrogen-bonded Turntrans-60.5-24.1-179.9-2434.3000115.1L43P41-L43 PolarHBondContact O-N 3.47Å
42D81.8Confident87.6Confident81 Ų8173.1 Ų73.143%0.43335%0.345SS..THydrogen-bonded Turntrans-832.7175.361.84.5000113P40 Q44P40-D42 VanDerWaalsContact CB-OD1 3.23Å; P40-D42 WeakPolarHBondContact CB-OD1 3.47Å; P40-D42 WeakPolarHBondContact CG-OD1 3.18Å; P40-D42 PolarHBondContact O-N 2.87Å; D42-Q44 HydrophobicContact CB-CG 4.38Å; D42-Q44 PolarHBondContact O-N 3.46Å; D42-Q44 VanDerWaalsContact O-N 3.08Å; D42-Q44 PolarHBondContact OD1-N 3.48Å
43L79.4Confident87.4Confident93 Ų9370.3 Ų70.349%0.48733%0.333SS..  trans5816179.6-58.3174.2000114.4T20 L39 P40 P41T20-L43 HydrophobicContact CG2-CD2 3.86Å; L39-L43 HydrophobicContact CD1-CD2 4.35Å; P40-L43 WeakPolarHBondContact O-CA 3.42Å; P40-L43 PolarHBondContact O-N 3.33Å; P41-L43 PolarHBondContact O-N 3.47Å
44Q82.4Confident87.1Confident103 Ų10379.6 Ų79.648%0.48137%0.368SS..  trans-80.4126.4179.3-65.3-165.20.200112.1P40 D42 K46 R47P40-Q44 VanDerWaalsContact CD-O 3.29Å; P40-Q44 WeakPolarHBondContact CD-O 3.5Å; P40-Q44 WeakPolarHBondContact CG-O 3.36Å; D42-Q44 HydrophobicContact CB-CG 4.38Å; D42-Q44 PolarHBondContact O-N 3.46Å; D42-Q44 VanDerWaalsContact O-N 3.08Å; D42-Q44 PolarHBondContact OD1-N 3.48Å; Q44-K46 VanDerWaalsContact C-N 3.26Å; Q44-K46 PolarHBondContact O-N 3.1Å; Q44-R47 PolarHBondContact O-N 3.22Å
45L82.8Confident86.6Confident16 Ų1677.5 Ų77.58%0.08436%0.363CS..G310 helixtrans-64.9-27.1179.4-74.1155.9000113.8L39 R47 A48 L71 D76 L77L39-L45 HydrophobicContact CD2-CD2 3.69Å; L39-L45 HydrophobicContact CD2-CG 4.36Å; L45-R47 PolarHBondContact O-N 3.38Å; L45-A48 WeakPolarHBondContact O-CB 3.48Å; L45-A48 PolarHBondContact O-N 3.31Å; L45-L71 CarbonylContact C-O 3.57Å; L45-L71 HydrophobicContact CD2-CD1 4.21Å; L45-D76 VanDerWaalsContact CD1-CA 3.48Å; L45-D76 WeakPolarHBondContact CD1-O 3.46Å; L45-L77 HydrophobicContact CD2-CB 4.42Å; L45-L77 HydrophobicContact CD2-CD1 3.91Å
46K82.2Confident86.3Confident144 Ų14477.5 Ų77.563%0.62636%0.363SS*.G310 helixtrans-54.8-25.7-180-65.2-176.2179.6-178.50114.1Q44Q44-K46 VanDerWaalsContact C-N 3.26Å; Q44-K46 PolarHBondContact O-N 3.1Å
47R82.3Confident85.9Confident191 Ų19180.2 Ų80.272%0.72138%0.377SS*.G310 helixtrans-116.214.4179.6-71.4178.1161.3-177.5-5.5112.9P40 Q44 L45P40-R47 HydrophobicContact CB-CB 4.48Å; P40-R47 HydrophobicContact CG-CB 4.04Å; Q44-R47 PolarHBondContact O-N 3.22Å; L45-R47 PolarHBondContact O-N 3.38Å
48A87.2Confident85.4Confident12 Ų1285.6 Ų85.610%0.09940%0.402CS..  trans-69.8151.6177.600000111.5I37 L38 L39 L45 L71I37-A48 HydrophobicContact CG2-CB 4.49Å; L38-A48 CarbonylContact O-C 3.58Å; L38-A48 WeakPolarHBondContact O-CA 3.35Å; L39-A48 HydrophobicContact CD2-CB 3.73Å; L45-A48 WeakPolarHBondContact O-CB 3.48Å; L45-A48 PolarHBondContact O-N 3.31Å; A48-L71 HydrophobicContact CB-CD1 4.1Å; A48-L71 HydrophobicContact CB-CD2 4.16Å; A48-L71 HydrophobicContact CB-CG 4.35Å; A48-L71 WeakPolarHBondContact O-CD2 3.4Å
49R89.1Confident85Confident175 Ų17584.4 Ų84.466%0.6640%0.396SS*.EExtended strand (participates in β ladder)trans-113.7125173.3-59.9-179.2177.8-177.3-1.6109.7I37 L38I37-R49 WeakPolarHBondContact CA-O 3.3Å; L38-R49 HydrophobicContact CB-CB 4.25Å; L38-R49 PolarHBondContact N-O 3.46Å; L38-R49 PolarHBondContact O-N 3.26Å
50L91.1Very high84.9Confident44 Ų4484 Ų8423%0.2339%0.394CS..EExtended strand (participates in β ladder)trans-96.7122172.3177.667.2000109.4I35 I37 V67 F80 L84I35-L50 HydrophobicContact CB-CD1 4.31Å; I35-L50 HydrophobicContact CG2-CD1 4.49Å; I37-L50 HydrophobicContact CD1-CD1 4.16Å; I37-L50 HydrophobicContact CG1-CD1 3.65Å; L50-V67 HydrophobicContact CD2-CG1 3.99Å; L50-F80 HydrophobicContact CD2-CZ 4.25Å; L50-L84 HydrophobicContact CD2-CD2 4.27Å
51H91.2Very high84.7Confident92 Ų9291.4 Ų91.443%0.42642%0.419SS..EExtended strand (participates in β ladder)trans-111.4144.7167.5-58.9-76.7000108.9I35 R36 L38I35-H51 CarbonylContact C-O 3.57Å; I35-H51 WeakPolarHBondContact CA-O 3.39Å; R36-H51 HydrophobicContact CB-CB 4.16Å; R36-H51 PolarHBondContact N-O 3.06Å; R36-H51 PolarHBondContact O-N 2.88Å; L38-H51 WeakPolarHBondContact CD1-NE2 3.29Å
52C91.1Very high84.8Confident45 Ų4592.1 Ų92.130%0.30442%0.416SS..EExtended strand (participates in β ladder)trans-148.3165.8-176.856.20000111.6R34 I35 L56R34-C52 WeakPolarHBondContact O-CA 3.28Å; I35-C52 HydrophobicContact CG2-CB 4.29Å; C52-L56 HydrophobicContact CB-CB 3.93Å; C52-L56 HydrophobicContact CB-CD2 3.38Å; C52-L56 HydrophobicContact CB-CG 3.82Å
53C85.8Confident85.1Confident31 Ų3189.9 Ų89.921%0.20940%0.402CS..  trans-64.6160.417264.90000111.7R34 Q55 L56 K57R34-C53 HydrophobicContact CB-CB 4.37Å; R34-C53 PolarHBondContact O-N 2.9Å; R34-C53 VanDerWaalsContact O-N 3.11Å; C53-Q55 PolarHBondContact O-N 2.97Å; C53-L56 PolarHBondContact O-N 3.17Å; C53-L56 VanDerWaalsContact O-N 3.16Å; C53-K57 PolarHBondContact O-N 3.49Å
54W82.8Confident85.5Confident196 Ų19690.5 Ų90.574%0.74240%0.402SS*.Hα-helixtrans-58.4-36.7-178.169.6-94.4000112.8K57 H58W54-K57 PolarHBondContact O-N 2.84Å; W54-H58 WeakPolarHBondContact O-CB 3.47Å; W54-H58 PolarHBondContact O-N 3.49Å
55Q82.1Confident85.7Confident80 Ų8092.5 Ų92.537%0.37441%0.411SS..Hα-helixtrans-61.4-47.7177.7-65.3175.4-29.200111.1C53 H58 L59C53-Q55 PolarHBondContact O-N 2.97Å; Q55-H58 PolarHBondContact O-N 3.48Å; Q55-L59 WeakPolarHBondContact O-CG 3.43Å; Q55-L59 PolarHBondContact O-N 3.12Å
56L86.7Confident86Confident0 Ų095 Ų950%042%0.424CS..Hα-helixtrans-67.3-39.1178.8-175.359.6000111.6F33 I35 C52 C53 H58 L59 L60 L88F33-L56 HydrophobicContact CB-CB 4.27Å; F33-L56 HydrophobicContact CB-CD1 4.12Å; F33-L56 HydrophobicContact CB-CD2 3.85Å; F33-L56 HydrophobicContact CB-CG 4.31Å; F33-L56 HydrophobicContact CD1-CB 3.98Å; F33-L56 HydrophobicContact CD1-CD1 4.09Å; F33-L56 HydrophobicContact CD2-CD1 4.49Å; F33-L56 HydrophobicContact CG-CB 4.4Å; F33-L56 HydrophobicContact CG-CD1 3.97Å; I35-L56 HydrophobicContact CG2-CD2 3.27Å; C52-L56 HydrophobicContact CB-CB 3.93Å; C52-L56 HydrophobicContact CB-CD2 3.38Å; C52-L56 HydrophobicContact CB-CG 3.82Å; C53-L56 PolarHBondContact O-N 3.17Å; C53-L56 VanDerWaalsContact O-N 3.16Å; L56-H58 VanDerWaalsContact C-N 3.31Å; L56-H58 PolarHBondContact O-N 2.85Å; L56-L59 PolarHBondContact O-N 3.31Å; L56-L60 HydrophobicContact CD1-CD1 3.95Å; L56-L60 HydrophobicContact CD1-CG 4.28Å; L56-L60 HydrophobicContact CG-CD1 3.99Å; L56-L60 WeakPolarHBondContact O-CB 3.4Å; L56-L60 WeakPolarHBondContact O-CG 3.42Å; L56-L60 PolarHBondContact O-N 2.97Å; L56-L88 HydrophobicContact CD1-CD1 3.77Å; L56-L88 HydrophobicContact CD1-CD2 3.21Å; L56-L88 HydrophobicContact CD1-CG 4.11Å
57K86.4Confident86.4Confident153 Ų15388.9 Ų88.967%0.66540%0.398SS*.Hα-helixtrans-61.8-39175.2-170.2177.9179.4-176.40112.1C53 W54 R61C53-K57 PolarHBondContact O-N 3.49Å; W54-K57 PolarHBondContact O-N 2.84Å; K57-R61 PolarHBondContact O-N 2.73Å
58H80.9Confident86.7Confident115 Ų11585.3 Ų85.353%0.53239%0.388SS..Hα-helixtrans-68.7-45.6176.8-172.3-78.9000111.7W54 Q55 L56 L60 R61W54-H58 WeakPolarHBondContact O-CB 3.47Å; W54-H58 PolarHBondContact O-N 3.49Å; Q55-H58 PolarHBondContact O-N 3.48Å; L56-H58 VanDerWaalsContact C-N 3.31Å; L56-H58 PolarHBondContact O-N 2.85Å; H58-L60 PolarHBondContact O-N 3.47Å; H58-R61 WeakPolarHBondContact O-CB 3.21Å; H58-R61 PolarHBondContact O-N 3.5Å
59L83.5Confident86.8Confident30 Ų3088.4 Ų88.416%0.15740%0.4CS..Hα-helixtrans-59.1-34176.9-74.7168.6000112.6F33 Q55 L56 L92F33-L59 HydrophobicContact CE1-CD1 3.55Å; F33-L59 HydrophobicContact CZ-CD1 3.65Å; Q55-L59 WeakPolarHBondContact O-CG 3.43Å; Q55-L59 PolarHBondContact O-N 3.12Å; L56-L59 PolarHBondContact O-N 3.31Å; L59-L92 HydrophobicContact CD1-CD2 4.07Å; L59-L92 HydrophobicContact CD2-CD2 4.24Å
60L85.6Confident86.8Confident13 Ų1384.5 Ų84.57%0.06839%0.386CS..THydrogen-bonded Turntrans-92.45.1-178.2-65.9175.5000114.2L56 H58 D62 Y63 E64 V67 L84 V87 L88L56-L60 HydrophobicContact CD1-CD1 3.95Å; L56-L60 HydrophobicContact CD1-CG 4.28Å; L56-L60 HydrophobicContact CG-CD1 3.99Å; L56-L60 WeakPolarHBondContact O-CB 3.4Å; L56-L60 WeakPolarHBondContact O-CG 3.42Å; L56-L60 PolarHBondContact O-N 2.97Å; H58-L60 PolarHBondContact O-N 3.47Å; L60-D62 VanDerWaalsContact C-N 3.33Å; L60-D62 PolarHBondContact O-N 2.92Å; L60-Y63 CarbonylContact O-C 3.58Å; L60-Y63 WeakPolarHBondContact O-CA 3.41Å; L60-Y63 PolarHBondContact O-N 3.19Å; L60-E64 PolarHBondContact O-N 3.05Å; L60-V67 HydrophobicContact CD1-CG2 4.32Å; L60-V67 HydrophobicContact CD2-CG2 3.96Å; L60-L84 HydrophobicContact CD1-CD1 4.08Å; L60-V87 HydrophobicContact CD2-CG1 3.9Å; L60-L88 HydrophobicContact CD1-CD2 4.22Å; L60-L88 HydrophobicContact CD2-CD2 3.57Å; L60-L88 HydrophobicContact CD2-CG 4.26Å; L60-L88 HydrophobicContact CG-CD2 3.87Å
61R83.5Confident86.6Confident178 Ų17883.3 Ų83.367%0.67238%0.379SS*.G310 helixtrans-55.5-46.2-173.7-173.9-179.7-178179.6-1.4112.4K57 H58 Y63K57-R61 PolarHBondContact O-N 2.73Å; H58-R61 WeakPolarHBondContact O-CB 3.21Å; H58-R61 PolarHBondContact O-N 3.5Å; R61-Y63 VanDerWaalsContact C-N 3.28Å; R61-Y63 PolarHBondContact O-N 2.94Å
62D83.4Confident86.4Confident143 Ų14384.4 Ų84.477%0.76539%0.385SS*.G310 helixtrans-84.8-6.4-179.2-56.2-31.5000112.8L60L60-D62 VanDerWaalsContact C-N 3.33Å; L60-D62 PolarHBondContact O-N 2.92Å
63Y87.3Confident86.2Confident33 Ų3387.8 Ų87.813%0.12940%0.396CS..G310 helixtrans-109.65.7-177.4-62.3-86.2000112.5L60 R61 H65 I66 V67 V87 V90 A91 R94L60-Y63 CarbonylContact O-C 3.58Å; L60-Y63 WeakPolarHBondContact O-CA 3.41Å; L60-Y63 PolarHBondContact O-N 3.19Å; R61-Y63 VanDerWaalsContact C-N 3.28Å; R61-Y63 PolarHBondContact O-N 2.94Å; Y63-H65 VanDerWaalsContact C-N 3.3Å; Y63-H65 PolarHBondContact O-N 2.9Å; Y63-I66 HydrophobicContact CD1-CD1 4.1Å; Y63-I66 WeakPolarHBondContact O-CB 3.5Å; Y63-I66 PolarHBondContact O-N 2.87Å; Y63-V67 WeakPolarHBondContact O-CG2 3.49Å; Y63-V67 PolarHBondContact O-N 2.83Å; Y63-V87 HydrophobicContact CD1-CG1 4.1Å; Y63-V87 HydrophobicContact CG-CG1 4.13Å; Y63-V90 HydrophobicContact CE1-CG1 4.5Å; Y63-A91 HydrophobicContact CD2-CB 4.1Å; Y63-A91 HydrophobicContact CE2-CB 3.78Å; Y63-R94 WeakPolarHBondContact OH-CD 3.41Å
64E87.3Confident86.3Confident107 Ų10787 Ų8750%0.539%0.391SS..Hα-helixtrans-58.1-41.3-172.5-169.2-177.4159.400112.2L60 I66 V67 K68L60-E64 PolarHBondContact O-N 3.05Å; E64-I66 VanDerWaalsContact C-N 3.34Å; E64-I66 PolarHBondContact O-N 2.74Å; E64-V67 PolarHBondContact O-N 2.8Å; E64-K68 WeakPolarHBondContact O-CG 3.37Å; E64-K68 PolarHBondContact O-N 2.96Å; E64-K68 WeakPolarHBondContact OE1-CE 3.4Å; E64-K68 IonicContact OE1-NZ 3.2Å; E64-K68 PolarHBondContact OE1-NZ 2.79Å
65H87.7Confident86.3Confident145 Ų14584.5 Ų84.567%0.67140%0.397SS*.Hα-helixtrans-63.3-41.2176.4-174.1-77.6000111.9Y63 K68 Q69Y63-H65 VanDerWaalsContact C-N 3.3Å; Y63-H65 PolarHBondContact O-N 2.9Å; H65-K68 PolarHBondContact O-N 2.68Å; H65-Q69 WeakPolarHBondContact O-CB 3.47Å; H65-Q69 PolarHBondContact O-N 3.43Å
66I89.3Confident86.5Confident69 Ų6983.7 Ų83.735%0.35440%0.395SS..Hα-helixtrans-66.9-45.1179.7-55.4-172.9000109.9Y63 E64 K68 Q69 R70 V87Y63-I66 HydrophobicContact CD1-CD1 4.1Å; Y63-I66 WeakPolarHBondContact O-CB 3.5Å; Y63-I66 PolarHBondContact O-N 2.87Å; E64-I66 VanDerWaalsContact C-N 3.34Å; E64-I66 PolarHBondContact O-N 2.74Å; I66-K68 VanDerWaalsContact C-N 3.34Å; I66-K68 PolarHBondContact O-N 3.38Å; I66-Q69 PolarHBondContact O-N 3.2Å; I66-R70 HydrophobicContact CG2-CG 4.32Å; I66-R70 VanDerWaalsContact O-CG 3.24Å; I66-R70 WeakPolarHBondContact O-CG 3.45Å; I66-R70 PolarHBondContact O-N 3.29Å; I66-V87 HydrophobicContact CG2-CG2 4.19Å
67V90.2Very high86.4Confident14 Ų1484.4 Ų84.49%0.08540%0.399CS..Hα-helixtrans-61.5-42.3177.6176.50000111.3L50 L60 Y63 E64 R70 L71 F80 L84 V87L50-V67 HydrophobicContact CD2-CG1 3.99Å; L60-V67 HydrophobicContact CD1-CG2 4.32Å; L60-V67 HydrophobicContact CD2-CG2 3.96Å; Y63-V67 WeakPolarHBondContact O-CG2 3.49Å; Y63-V67 PolarHBondContact O-N 2.83Å; E64-V67 PolarHBondContact O-N 2.8Å; V67-R70 PolarHBondContact O-N 3.5Å; V67-L71 WeakPolarHBondContact O-CB 3.47Å; V67-L71 PolarHBondContact O-N 3.19Å; V67-F80 HydrophobicContact CG1-CE2 4.48Å; V67-F80 HydrophobicContact CG1-CZ 4.35Å; V67-L84 HydrophobicContact CG1-CD1 4.14Å; V67-L84 HydrophobicContact CG2-CD1 4.15Å; V67-V87 HydrophobicContact CG2-CG1 4.16Å
68K88.8Confident86.4Confident116 Ų11678 Ų7850%0.50438%0.377SS..Hα-helixtrans-62.3-42.9174.9-76.4177.1-175.6165.60112.2E64 H65 I66 L71 Q72E64-K68 WeakPolarHBondContact O-CG 3.37Å; E64-K68 PolarHBondContact O-N 2.96Å; E64-K68 WeakPolarHBondContact OE1-CE 3.4Å; E64-K68 IonicContact OE1-NZ 3.2Å; E64-K68 PolarHBondContact OE1-NZ 2.79Å; H65-K68 PolarHBondContact O-N 2.68Å; I66-K68 VanDerWaalsContact C-N 3.34Å; I66-K68 PolarHBondContact O-N 3.38Å; K68-L71 PolarHBondContact O-N 2.92Å; K68-Q72 WeakPolarHBondContact O-CG 3.46Å; K68-Q72 PolarHBondContact O-N 3.44Å
69Q89.3Confident86.7Confident77 Ų7774 Ų7436%0.3637%0.366SS..Hα-helixtrans-62.9-46.4177.4-179.2-178-13.900111.4H65 I66 L71 Q72 Q73H65-Q69 WeakPolarHBondContact O-CB 3.47Å; H65-Q69 PolarHBondContact O-N 3.43Å; I66-Q69 PolarHBondContact O-N 3.2Å; Q69-L71 VanDerWaalsContact C-N 3.34Å; Q69-L71 PolarHBondContact O-N 3.27Å; Q69-Q72 PolarHBondContact O-N 3.47Å; Q69-Q72 VanDerWaalsContact O-N 3.12Å; Q69-Q73 HydrophobicContact CG-CG 4.46Å; Q69-Q73 WeakPolarHBondContact O-CG 3.27Å; Q69-Q73 PolarHBondContact O-N 3.47Å; Q69-Q73 VanDerWaalsContact O-N 3.09Å
70R87.9Confident87Confident94 Ų9472.6 Ų72.636%0.35536%0.359SS..Hα-helixtrans-59.2-46.6177.1-65.6-67.4174.3172.9-2110.8I66 V67 Q72 Q73 S74 E83I66-R70 HydrophobicContact CG2-CG 4.32Å; I66-R70 VanDerWaalsContact O-CG 3.24Å; I66-R70 WeakPolarHBondContact O-CG 3.45Å; I66-R70 PolarHBondContact O-N 3.29Å; V67-R70 PolarHBondContact O-N 3.5Å; R70-Q72 PolarHBondContact O-N 3.49Å; R70-Q72 VanDerWaalsContact O-N 3.13Å; R70-Q73 PolarHBondContact O-N 2.96Å; R70-S74 PolarHBondContact O-N 3.23Å; R70-S74 PolarHBondContact O-OG 3.14Å; R70-E83 HydrophobicContact CB-CB 4.42Å; R70-E83 VanDerWaalsContact CD-CD 3.46Å; R70-E83 WeakPolarHBondContact CD-OE1 3.4Å; R70-E83 WeakPolarHBondContact CD-OE2 3.38Å; R70-E83 HydrophobicContact CG-CB 4.4Å; R70-E83 IonicContact CZ-OE1 3.7Å; R70-E83 IonicContact NH1-OE1 3.93Å; R70-E83 PolarHBondContact NH1-OE1 2.86Å
71L87.9Confident87.2Confident18 Ų1872 Ų729%0.09436%0.356CS..Hα-helixtrans-57.4-31.2176.4-168.665.9000113.8L45 A48 V67 K68 Q69 F80L45-L71 CarbonylContact C-O 3.57Å; L45-L71 HydrophobicContact CD2-CD1 4.21Å; A48-L71 HydrophobicContact CB-CD1 4.1Å; A48-L71 HydrophobicContact CB-CD2 4.16Å; A48-L71 HydrophobicContact CB-CG 4.35Å; A48-L71 WeakPolarHBondContact O-CD2 3.4Å; V67-L71 WeakPolarHBondContact O-CB 3.47Å; V67-L71 PolarHBondContact O-N 3.19Å; K68-L71 PolarHBondContact O-N 2.92Å; Q69-L71 VanDerWaalsContact C-N 3.34Å; Q69-L71 PolarHBondContact O-N 3.27Å; L71-F80 HydrophobicContact CB-CD2 4.02Å; L71-F80 HydrophobicContact CB-CE2 3.66Å; L71-F80 HydrophobicContact CB-CZ 4.31Å; L71-F80 HydrophobicContact CD1-CD1 3.84Å; L71-F80 HydrophobicContact CD1-CD2 3.67Å; L71-F80 HydrophobicContact CD1-CE1 3.77Å; L71-F80 HydrophobicContact CD1-CE2 3.6Å; L71-F80 HydrophobicContact CD1-CG 3.79Å; L71-F80 HydrophobicContact CD1-CZ 3.65Å; L71-F80 HydrophobicContact CG-CD2 4.47Å; L71-F80 HydrophobicContact CG-CE2 4.21Å; L71-F80 HydrophobicContact CG-CZ 4.48Å
72Q86.8Confident87.5Confident116 Ų11669 Ų6954%0.54235%0.352SS..Hα-helixtrans-81.7-26.2177-70.2175.9-0.700113.9K68 Q69 R70K68-Q72 WeakPolarHBondContact O-CG 3.46Å; K68-Q72 PolarHBondContact O-N 3.44Å; Q69-Q72 PolarHBondContact O-N 3.47Å; Q69-Q72 VanDerWaalsContact O-N 3.12Å; R70-Q72 PolarHBondContact O-N 3.49Å; R70-Q72 VanDerWaalsContact O-N 3.13Å
73Q87.1Confident87.8Confident115 Ų11564.6 Ų64.654%0.53733%0.327SS..Hα-helixtrans-96.9-24-174.2-69.3-179.3-19.200113Q69 R70Q69-Q73 HydrophobicContact CG-CG 4.46Å; Q69-Q73 WeakPolarHBondContact O-CG 3.27Å; Q69-Q73 PolarHBondContact O-N 3.47Å; Q69-Q73 VanDerWaalsContact O-N 3.09Å; R70-Q73 PolarHBondContact O-N 2.96Å
74S87.4Confident88Confident16 Ų1663.1 Ų63.111%0.11232%0.322CS..  trans-65.3135179.9-48.30000111.7R70 F80 E83R70-S74 PolarHBondContact O-N 3.23Å; R70-S74 PolarHBondContact O-OG 3.14Å; S74-F80 VanDerWaalsContact OG-CA 3.28Å; S74-F80 WeakPolarHBondContact OG-CA 3.45Å; S74-F80 WeakPolarHBondContact OG-CB 3.15Å; S74-E83 PolarHBondContact OG-OE2 3.17Å
75V83.6Confident88.1Confident143 Ų14359.9 Ų59.987%0.86731%0.306SS*.SBendtrans-75.6-34.3-178.7-1770000111.6
76D86.1Confident88.2Confident62 Ų6256.5 Ų56.533%0.33230%0.295SS..SBendtrans-145.2168.8177.968.657.5000111.8M1 L45 G78 G79 F80M1-D76 HydrophobicContact SD-CB 4.38Å; L45-D76 VanDerWaalsContact CD1-CA 3.48Å; L45-D76 WeakPolarHBondContact CD1-O 3.46Å; D76-G78 VanDerWaalsContact C-N 3.26Å; D76-G78 PolarHBondContact O-N 3.34Å; D76-G78 WeakPolarHBondContact OD1-CA 3.38Å; D76-G78 PolarHBondContact OD1-N 3.29Å; D76-G79 PolarHBondContact O-N 3Å; D76-G79 PolarHBondContact OD1-N 3.42Å; D76-F80 PolarHBondContact O-N 2.95Å
77L84.8Confident88.2Confident15 Ų1554 Ų548%0.07928%0.283CS..Hα-helixtrans-64.8-30.8-175.6-174.965.6000112L5 Y22 I37 L45 F80 I81L5-L77 HydrophobicContact CD1-CB 3.74Å; L5-L77 HydrophobicContact CD1-CD2 3.78Å; L5-L77 HydrophobicContact CD1-CG 3.67Å; Y22-L77 HydrophobicContact CD1-CD2 3.83Å; Y22-L77 HydrophobicContact CD2-CD2 3.54Å; Y22-L77 HydrophobicContact CE1-CD2 3.82Å; Y22-L77 HydrophobicContact CE2-CD2 3.54Å; Y22-L77 HydrophobicContact CG-CD2 3.69Å; I37-L77 HydrophobicContact CD1-CD1 3.72Å; I37-L77 HydrophobicContact CG2-CD1 3.99Å; L45-L77 HydrophobicContact CD2-CB 4.42Å; L45-L77 HydrophobicContact CD2-CD1 3.91Å; L77-F80 HydrophobicContact CD1-CD1 4.34Å; L77-F80 PolarHBondContact O-N 3.08Å; L77-I81 VanDerWaalsContact O-CG1 3.28Å; L77-I81 WeakPolarHBondContact O-CG1 3.47Å; L77-I81 PolarHBondContact O-N 3.16Å
78G86.1Confident88.1Confident19 Ų1953.3 Ų53.320%0.19628%0.279CS..Hα-helixtrans-69.5-44.6179.300000111.1D76 F80 I81 L82D76-G78 VanDerWaalsContact C-N 3.26Å; D76-G78 PolarHBondContact O-N 3.34Å; D76-G78 WeakPolarHBondContact OD1-CA 3.38Å; D76-G78 PolarHBondContact OD1-N 3.29Å; G78-F80 VanDerWaalsContact C-N 3.34Å; G78-F80 PolarHBondContact O-N 3.18Å; G78-I81 PolarHBondContact O-N 3.02Å; G78-L82 PolarHBondContact O-N 2.95Å
79G86.6Confident88Confident30 Ų3051.7 Ų51.731%0.30927%0.274SS..Hα-helixtrans-58.1-45.1171.800000112.1D76 I81 L82 E83D76-G79 PolarHBondContact O-N 3Å; D76-G79 PolarHBondContact OD1-N 3.42Å; G79-I81 PolarHBondContact O-N 3.45Å; G79-L82 PolarHBondContact O-N 2.86Å; G79-E83 WeakPolarHBondContact O-CG 3.44Å; G79-E83 PolarHBondContact O-N 2.84Å
80F90.8Very high87.8Confident1 Ų151.1 Ų51.10%0.00428%0.275CS..Hα-helixtrans-60-46.1175.8172.7-108.6000112.6I37 L50 V67 L71 S74 D76 L77 G78 L82 E83 L84I37-F80 HydrophobicContact CD1-CD1 4.16Å; I37-F80 HydrophobicContact CD1-CE1 3.95Å; L50-F80 HydrophobicContact CD2-CZ 4.25Å; V67-F80 HydrophobicContact CG1-CE2 4.48Å; V67-F80 HydrophobicContact CG1-CZ 4.35Å; L71-F80 HydrophobicContact CB-CD2 4.02Å; L71-F80 HydrophobicContact CB-CE2 3.66Å; L71-F80 HydrophobicContact CB-CZ 4.31Å; L71-F80 HydrophobicContact CD1-CD1 3.84Å; L71-F80 HydrophobicContact CD1-CD2 3.67Å; L71-F80 HydrophobicContact CD1-CE1 3.77Å; L71-F80 HydrophobicContact CD1-CE2 3.6Å; L71-F80 HydrophobicContact CD1-CG 3.79Å; L71-F80 HydrophobicContact CD1-CZ 3.65Å; L71-F80 HydrophobicContact CG-CD2 4.47Å; L71-F80 HydrophobicContact CG-CE2 4.21Å; L71-F80 HydrophobicContact CG-CZ 4.48Å; S74-F80 VanDerWaalsContact OG-CA 3.28Å; S74-F80 WeakPolarHBondContact OG-CA 3.45Å; S74-F80 WeakPolarHBondContact OG-CB 3.15Å; D76-F80 PolarHBondContact O-N 2.95Å; L77-F80 HydrophobicContact CD1-CD1 4.34Å; L77-F80 PolarHBondContact O-N 3.08Å; G78-F80 VanDerWaalsContact C-N 3.34Å; G78-F80 PolarHBondContact O-N 3.18Å; F80-L82 VanDerWaalsContact C-N 3.3Å; F80-L82 PolarHBondContact O-N 3.3Å; F80-E83 PolarHBondContact O-N 3.01Å; F80-L84 HydrophobicContact CE1-CD2 4.13Å; F80-L84 HydrophobicContact CZ-CB 4.4Å; F80-L84 HydrophobicContact CZ-CD2 4.19Å; F80-L84 WeakPolarHBondContact O-CB 3.42Å; F80-L84 PolarHBondContact O-N 2.83Å
81I89.9Confident87.6Confident0 Ų046.9 Ų46.90%026%0.26CS..Hα-helixtrans-63.1-38.9179.5-67.7-63.1000111.1N9 L12 I26 I35 I37 L77 G78 G79 L84 K85N9-I81 WeakPolarHBondContact OD1-CG2 3.39Å; L12-I81 HydrophobicContact CD2-CD1 3.81Å; L12-I81 HydrophobicContact CD2-CG1 3.91Å; I26-I81 HydrophobicContact CG2-CD1 4.36Å; I26-I81 HydrophobicContact CG2-CG2 4.01Å; I35-I81 HydrophobicContact CD1-CD1 3.63Å; I37-I81 HydrophobicContact CD1-CD1 3.6Å; L77-I81 VanDerWaalsContact O-CG1 3.28Å; L77-I81 WeakPolarHBondContact O-CG1 3.47Å; L77-I81 PolarHBondContact O-N 3.16Å; G78-I81 PolarHBondContact O-N 3.02Å; G79-I81 PolarHBondContact O-N 3.45Å; I81-L84 PolarHBondContact O-N 3Å; I81-K85 WeakPolarHBondContact O-CG 3.38Å; I81-K85 PolarHBondContact O-N 2.8Å
82L88.9Confident87.2Confident115 Ų11546.7 Ų46.760%0.60226%0.259SS*.Hα-helixtrans-62.3-48.3175.8-175.665000111.4G78 G79 F80 L84 K85 T86G78-L82 PolarHBondContact O-N 2.95Å; G79-L82 PolarHBondContact O-N 2.86Å; F80-L82 VanDerWaalsContact C-N 3.3Å; F80-L82 PolarHBondContact O-N 3.3Å; L82-L84 VanDerWaalsContact C-N 3.29Å; L82-L84 PolarHBondContact O-N 2.82Å; L82-K85 WeakPolarHBondContact O-CB 3.42Å; L82-K85 PolarHBondContact O-N 2.93Å; L82-K85 VanDerWaalsContact O-N 3.17Å; L82-T86 PolarHBondContact O-N 3.22Å; L82-T86 PolarHBondContact O-OG1 3.23Å
83E90.1Very high86.6Confident51 Ų5146.4 Ų46.424%0.23826%0.262CS..Hα-helixtrans-62.3-37.8176.8-68.2-173131.700112R70 S74 G79 F80 T86 V87R70-E83 HydrophobicContact CB-CB 4.42Å; R70-E83 VanDerWaalsContact CD-CD 3.46Å; R70-E83 WeakPolarHBondContact CD-OE1 3.4Å; R70-E83 WeakPolarHBondContact CD-OE2 3.38Å; R70-E83 HydrophobicContact CG-CB 4.4Å; R70-E83 IonicContact CZ-OE1 3.7Å; R70-E83 IonicContact NH1-OE1 3.93Å; R70-E83 PolarHBondContact NH1-OE1 2.86Å; S74-E83 PolarHBondContact OG-OE2 3.17Å; G79-E83 WeakPolarHBondContact O-CG 3.44Å; G79-E83 PolarHBondContact O-N 2.84Å; F80-E83 PolarHBondContact O-N 3.01Å; E83-T86 PolarHBondContact O-N 2.83Å; E83-V87 VanDerWaalsContact O-CG2 3.31Å; E83-V87 WeakPolarHBondContact O-CG2 3.4Å; E83-V87 PolarHBondContact O-N 3.47Å
84L90.6Very high85.7Confident2 Ų250 Ų501%0.0127%0.27CS..Hα-helixtrans-63.2-42.1174.7-178.862.2000111.3I26 L50 L60 V67 F80 I81 L82 T86 V87 L88I26-L84 HydrophobicContact CD1-CD2 3.9Å; I26-L84 HydrophobicContact CD1-CG 4.27Å; L50-L84 HydrophobicContact CD2-CD2 4.27Å; L60-L84 HydrophobicContact CD1-CD1 4.08Å; V67-L84 HydrophobicContact CG1-CD1 4.14Å; V67-L84 HydrophobicContact CG2-CD1 4.15Å; F80-L84 HydrophobicContact CE1-CD2 4.13Å; F80-L84 HydrophobicContact CZ-CB 4.4Å; F80-L84 HydrophobicContact CZ-CD2 4.19Å; F80-L84 WeakPolarHBondContact O-CB 3.42Å; F80-L84 PolarHBondContact O-N 2.83Å; I81-L84 PolarHBondContact O-N 3Å; L82-L84 VanDerWaalsContact C-N 3.29Å; L82-L84 PolarHBondContact O-N 2.82Å; L84-T86 VanDerWaalsContact C-N 3.35Å; L84-V87 PolarHBondContact O-N 2.98Å; L84-L88 HydrophobicContact CD1-CD1 4.46Å; L84-L88 HydrophobicContact CG-CD1 4.13Å; L84-L88 WeakPolarHBondContact O-CB 3.43Å; L84-L88 VanDerWaalsContact O-CG 3.25Å; L84-L88 WeakPolarHBondContact O-CG 3.29Å; L84-L88 PolarHBondContact O-N 3Å
85K90.6Very high84.3Confident40 Ų4051.9 Ų51.917%0.17428%0.283CS..Hα-helixtrans-60.3-43.6173.9-71.5-175.9-180178.20111.2D8 N9 V28 I81 L82 V87 L88 E89D8-K85 PolarHBondContact O-NZ 3.49Å; N9-K85 WeakPolarHBondContact OD1-CE 3.46Å; N9-K85 PolarHBondContact OD1-NZ 2.96Å; V28-K85 HydrophobicContact CG2-CB 4.05Å; V28-K85 HydrophobicContact CG2-CD 4.46Å; V28-K85 HydrophobicContact CG2-CG 3.76Å; I81-K85 WeakPolarHBondContact O-CG 3.38Å; I81-K85 PolarHBondContact O-N 2.8Å; L82-K85 WeakPolarHBondContact O-CB 3.42Å; L82-K85 PolarHBondContact O-N 2.93Å; L82-K85 VanDerWaalsContact O-N 3.17Å; K85-V87 PolarHBondContact O-N 2.75Å; K85-L88 CarbonylContact O-C 3.55Å; K85-L88 WeakPolarHBondContact O-CB 3.38Å; K85-L88 PolarHBondContact O-N 2.92Å; K85-L88 VanDerWaalsContact O-N 3.13Å; K85-E89 WeakPolarHBondContact O-CG 3.46Å; K85-E89 PolarHBondContact O-N 3.31Å
86T89.6Confident82.6Confident73 Ų7350.3 Ų50.345%0.44828%0.276SS..Hα-helixtrans-61.9-42.7176.8-51.50000112.5L82 E83 L84 L88 E89 V90L82-T86 PolarHBondContact O-N 3.22Å; L82-T86 PolarHBondContact O-OG1 3.23Å; E83-T86 PolarHBondContact O-N 2.83Å; L84-T86 VanDerWaalsContact C-N 3.35Å; T86-L88 VanDerWaalsContact C-N 3.27Å; T86-L88 PolarHBondContact O-N 2.68Å; T86-E89 PolarHBondContact O-N 3.18Å; T86-V90 WeakPolarHBondContact O-CG2 3.36Å; T86-V90 PolarHBondContact O-N 3.15Å; T86-V90 VanDerWaalsContact O-N 3.12Å
87V89.3Confident80.7Confident16 Ų1656.4 Ų56.410%0.09730%0.302CS..Hα-helixtrans-61.5-40174.9174.60000110.5L60 Y63 I66 V67 E83 L84 K85 V90 A91L60-V87 HydrophobicContact CD2-CG1 3.9Å; Y63-V87 HydrophobicContact CD1-CG1 4.1Å; Y63-V87 HydrophobicContact CG-CG1 4.13Å; I66-V87 HydrophobicContact CG2-CG2 4.19Å; V67-V87 HydrophobicContact CG2-CG1 4.16Å; E83-V87 VanDerWaalsContact O-CG2 3.31Å; E83-V87 WeakPolarHBondContact O-CG2 3.4Å; E83-V87 PolarHBondContact O-N 3.47Å; L84-V87 PolarHBondContact O-N 2.98Å; K85-V87 PolarHBondContact O-N 2.75Å; V87-V90 PolarHBondContact O-N 3.31Å; V87-A91 WeakPolarHBondContact O-CB 3.46Å; V87-A91 PolarHBondContact O-N 3.48Å
88L87.4Confident78.9Confident0 Ų058.2 Ų58.20%032%0.324CS..Hα-helixtrans-68.6-38.9177.8-71.5168.4000113.2I26 V28 L56 L60 L84 K85 T86 V90 A91 L92I26-L88 HydrophobicContact CD1-CD1 3.52Å; V28-L88 HydrophobicContact CG1-CB 4.2Å; V28-L88 HydrophobicContact CG2-CB 4.18Å; V28-L88 HydrophobicContact CG2-CD1 4.1Å; L56-L88 HydrophobicContact CD1-CD1 3.77Å; L56-L88 HydrophobicContact CD1-CD2 3.21Å; L56-L88 HydrophobicContact CD1-CG 4.11Å; L60-L88 HydrophobicContact CD1-CD2 4.22Å; L60-L88 HydrophobicContact CD2-CD2 3.57Å; L60-L88 HydrophobicContact CD2-CG 4.26Å; L60-L88 HydrophobicContact CG-CD2 3.87Å; L84-L88 HydrophobicContact CD1-CD1 4.46Å; L84-L88 HydrophobicContact CG-CD1 4.13Å; L84-L88 WeakPolarHBondContact O-CB 3.43Å; L84-L88 VanDerWaalsContact O-CG 3.25Å; L84-L88 WeakPolarHBondContact O-CG 3.29Å; L84-L88 PolarHBondContact O-N 3Å; K85-L88 CarbonylContact O-C 3.55Å; K85-L88 WeakPolarHBondContact O-CB 3.38Å; K85-L88 PolarHBondContact O-N 2.92Å; K85-L88 VanDerWaalsContact O-N 3.13Å; T86-L88 VanDerWaalsContact C-N 3.27Å; T86-L88 PolarHBondContact O-N 2.68Å; L88-V90 VanDerWaalsContact C-N 3.31Å; L88-V90 PolarHBondContact O-N 2.92Å; L88-A91 PolarHBondContact O-N 2.86Å; L88-L92 VanDerWaalsContact O-CB 3.27Å; L88-L92 WeakPolarHBondContact O-CB 3.35Å; L88-L92 WeakPolarHBondContact O-CD1 3.26Å; L88-L92 WeakPolarHBondContact O-CG 3.33Å; L88-L92 PolarHBondContact O-N 2.82Å
89E87.6Confident77.1Confident83 Ų8364.4 Ų64.439%0.38834%0.342SS..Hα-helixtrans-60.3-43.1173.6-72.7172178.800111V28 K85 T86 L92 N93V28-E89 HydrophobicContact CG1-CB 4.48Å; V28-E89 HydrophobicContact CG1-CG 3.46Å; V28-E89 VanDerWaalsContact CG1-CG 3.46Å; K85-E89 WeakPolarHBondContact O-CG 3.46Å; K85-E89 PolarHBondContact O-N 3.31Å; T86-E89 PolarHBondContact O-N 3.18Å; E89-L92 PolarHBondContact O-N 2.91Å; E89-N93 VanDerWaalsContact O-CB 3.28Å; E89-N93 WeakPolarHBondContact O-CB 3.27Å; E89-N93 PolarHBondContact O-N 2.83Å; E89-N93 PolarHBondContact O-ND2 3.18Å
90V85.4Confident75.6Confident64 Ų6467.9 Ų67.939%0.38836%0.361SS..Hα-helixtrans-64.5-44.2175.5175.10000111.3Y63 T86 V87 L88 N93 R94Y63-V90 HydrophobicContact CE1-CG1 4.5Å; T86-V90 WeakPolarHBondContact O-CG2 3.36Å; T86-V90 PolarHBondContact O-N 3.15Å; T86-V90 VanDerWaalsContact O-N 3.12Å; V87-V90 PolarHBondContact O-N 3.31Å; L88-V90 VanDerWaalsContact C-N 3.31Å; L88-V90 PolarHBondContact O-N 2.92Å; V90-N93 PolarHBondContact O-N 2.8Å; V90-R94 WeakPolarHBondContact O-CG 3.22Å; V90-R94 PolarHBondContact O-N 2.74Å
91A82.9Confident74.4Confident6 Ų673.2 Ų73.25%0.0539%0.394CS..Hα-helixtrans-64.9-39.6178.800000112.1Y63 V87 L88 C95Y63-A91 HydrophobicContact CD2-CB 4.1Å; Y63-A91 HydrophobicContact CE2-CB 3.78Å; V87-A91 WeakPolarHBondContact O-CB 3.46Å; V87-A91 PolarHBondContact O-N 3.48Å; L88-A91 PolarHBondContact O-N 2.86Å; A91-C95 WeakPolarHBondContact O-CB 3.49Å; A91-C95 PolarHBondContact O-N 2.74Å; A91-C95 VanDerWaalsContact O-N 3.12Å
92L79.3Confident73.5Confident13 Ų1374.9 Ų74.97%0.06840%0.404CS..Hα-helixtrans-68.8-40.8176.1-73.1167.1000111.5V28 F33 L59 L88 E89 R94 C95V28-L92 HydrophobicContact CB-CD1 4.24Å; V28-L92 HydrophobicContact CG1-CD1 3.78Å; F33-L92 HydrophobicContact CE2-CD1 4.34Å; F33-L92 HydrophobicContact CZ-CD2 4.38Å; L59-L92 HydrophobicContact CD1-CD2 4.07Å; L59-L92 HydrophobicContact CD2-CD2 4.24Å; L88-L92 VanDerWaalsContact O-CB 3.27Å; L88-L92 WeakPolarHBondContact O-CB 3.35Å; L88-L92 WeakPolarHBondContact O-CD1 3.26Å; L88-L92 WeakPolarHBondContact O-CG 3.33Å; L88-L92 PolarHBondContact O-N 2.82Å; E89-L92 PolarHBondContact O-N 2.91Å; L92-R94 VanDerWaalsContact C-N 3.32Å; L92-R94 PolarHBondContact O-N 2.97Å; L92-C95 CarbonylContact O-C 3.41Å; L92-C95 PolarHBondContact O-N 2.64Å; L92-C95 VanDerWaalsContact O-N 3.17Å
93N74.4Confident73.1Confident111 Ų11173.8 Ų73.859%0.59440%0.404SS*.Hα-helixtrans-68.9-29.7177.1-70.4-19.3000113.1Q29 E89 V90 C95Q29-N93 PolarHBondContact NE2-OD1 2.9Å; E89-N93 VanDerWaalsContact O-CB 3.28Å; E89-N93 WeakPolarHBondContact O-CB 3.27Å; E89-N93 PolarHBondContact O-N 2.83Å; E89-N93 PolarHBondContact O-ND2 3.18Å; V90-N93 PolarHBondContact O-N 2.8Å; N93-C95 VanDerWaalsContact C-N 3.32Å
94R68.2Low72.7Confident189 Ų18976.3 Ų76.371%0.71343%0.425SS*.Hα-helixtrans-80.6-14.3173-74.3-161-174.1-175.2-5.8113.8Y63 V90 L92 P96Y63-R94 WeakPolarHBondContact OH-CD 3.41Å; V90-R94 WeakPolarHBondContact O-CG 3.22Å; V90-R94 PolarHBondContact O-N 2.74Å; L92-R94 VanDerWaalsContact C-N 3.32Å; L92-R94 PolarHBondContact O-N 2.97Å; R94-P96 VanDerWaalsContact C-CD 3.49Å; R94-P96 WeakPolarHBondContact O-CD 3.08Å
95C58.5Low72.4Confident56 Ų5685.4 Ų85.438%0.37846%0.459SS..SBendtrans-101.982.2173.7-163.10000107.1A91 L92 N93 E97A91-C95 WeakPolarHBondContact O-CB 3.49Å; A91-C95 PolarHBondContact O-N 2.74Å; A91-C95 VanDerWaalsContact O-N 3.12Å; L92-C95 CarbonylContact O-C 3.41Å; L92-C95 PolarHBondContact O-N 2.64Å; L92-C95 VanDerWaalsContact O-N 3.17Å; N93-C95 VanDerWaalsContact C-N 3.32Å; C95-E97 PolarHBondContact O-N 2.84Å; C95-E97 VanDerWaalsContact O-N 3.1Å
96P48Very low72.2Confident111 Ų11184.9 Ų84.972%0.72146%0.456SS*.  trans-51.8126.4-179.623-32.6000108.2R94R94-P96 VanDerWaalsContact C-CD 3.49Å; R94-P96 WeakPolarHBondContact O-CD 3.08Å
97E45.2Very low72.1Confident190 Ų19084.3 Ų84.389%0.88845%0.447SS*.SBendtrans19114.1173.8-64.3-175.4163.500116C95 R99C95-E97 PolarHBondContact O-N 2.84Å; C95-E97 VanDerWaalsContact O-N 3.1Å; E97-R99 PolarHBondContact O-N 2.81Å
98G46.8Very low72Confident53 Ų5387.3 Ų87.355%0.54647%0.468SS..  trans-11.2117.4177.100000115.5S100G98-S100 PolarHBondContact O-N 3.05Å
99R49.7Very low72Confident149 Ų14991.2 Ų91.256%0.56249%0.489SS*.  trans-47.890.7159.1-70.1178173.5-165.4-9.2107.8E97 V101 D128E97-R99 PolarHBondContact O-N 2.81Å; R99-V101 VanDerWaalsContact C-N 3.35Å; R99-V101 PolarHBondContact O-N 3.4Å; R99-D128 IonicContact CZ-OD1 2.82Å; R99-D128 IonicContact CZ-OD2 2.87Å; R99-D128 IonicContact NH1-OD1 3.56Å; R99-D128 PolarHBondContact NH1-OD1 3.46Å; R99-D128 IonicContact NH1-OD2 2.65Å; R99-D128 PolarHBondContact NH1-OD2 3.16Å; R99-D128 IonicContact NH2-OD2 2.79Å; R99-D128 PolarHBondContact NH2-OD2 2.8Å
100S54.7Low72.1Confident103 Ų10387.4 Ų87.472%0.7247%0.471SS*.  trans-65.2107.9167.363.80000103G98 P102G98-S100 PolarHBondContact O-N 3.05Å; S100-P102 WeakPolarHBondContact O-CD 3.41Å
101V65.2Low72.4Confident113 Ų11387.3 Ų87.369%0.68547%0.468SS*.PPolyproline II helixtrans-49.8119.3174.6177.30000105.9R99 Y107R99-V101 VanDerWaalsContact C-N 3.35Å; R99-V101 PolarHBondContact O-N 3.4Å; V101-Y107 HydrophobicContact CG1-CE2 4.12Å
102P71.2Confident72.8Confident34 Ų3489.4 Ų89.422%0.22148%0.482CS..PPolyproline II helixtrans-49.5144.7178.8-28.832.6000110.4S100 Y106 Y107S100-P102 WeakPolarHBondContact O-CD 3.41Å; P102-Y106 HydrophobicContact CB-CD1 3.46Å; P102-Y106 VanDerWaalsContact CB-CD1 3.46Å; P102-Y106 HydrophobicContact CB-CD2 4.35Å; P102-Y106 HydrophobicContact CB-CE1 4.21Å; P102-Y106 HydrophobicContact CB-CG 3.55Å; P102-Y106 HydrophobicContact CG-CD1 3.91Å; P102-Y106 HydrophobicContact CG-CE1 4.16Å; P102-Y106 HydrophobicContact CG-CG 4.34Å; P102-Y107 HydrophobicContact CB-CE2 4.16Å; P102-Y107 WeakPolarHBondContact CD-OH 3.25Å; P102-Y107 WeakPolarHBondContact O-CE2 3.21Å
103P80.3Confident73.5Confident93 Ų9390 Ų9060%0.60448%0.484SS*.PPolyproline II helixtrans-53.3147.8176.4-23.632.3000110.7R105 Y106P103-R105 PolarHBondContact O-N 3.23Å; P103-Y106 WeakPolarHBondContact O-CB 3.41Å; P103-Y106 PolarHBondContact O-N 2.96Å
104P82.7Confident74.3Confident104 Ų10484.9 Ų84.968%0.67546%0.457SS*.Hα-helixtrans-51.3-28.8-178.8-29.735.4000115Y106 Y107 S108P104-Y106 VanDerWaalsContact C-N 3.27Å; P104-Y106 PolarHBondContact O-N 3.41Å; P104-Y107 PolarHBondContact O-N 2.67Å; P104-S108 PolarHBondContact O-N 2.9Å; P104-S108 VanDerWaalsContact O-N 3.13Å; P104-S108 PolarHBondContact O-OG 3.26Å; P104-S108 VanDerWaalsContact O-OG 3.08Å
105R83.9Confident75.5Confident192 Ų19281.4 Ų81.473%0.72545%0.449SS*.Hα-helixtrans-59.7-34.7175-171.4176.4-179.91790112.9P103 S108 L109P103-R105 PolarHBondContact O-N 3.23Å; R105-S108 PolarHBondContact O-N 3.02Å; R105-L109 HydrophobicContact CG-CD1 4.25Å; R105-L109 WeakPolarHBondContact O-CG 3.21Å; R105-L109 PolarHBondContact O-N 3.32Å
106Y85.2Confident77.2Confident29 Ų2982.6 Ų82.611%0.11445%0.454CS..Hα-helixtrans-58-52.4175.1171-95.5000111P102 P103 P104 S108 L109 L110 H154P102-Y106 HydrophobicContact CB-CD1 3.46Å; P102-Y106 VanDerWaalsContact CB-CD1 3.46Å; P102-Y106 HydrophobicContact CB-CD2 4.35Å; P102-Y106 HydrophobicContact CB-CE1 4.21Å; P102-Y106 HydrophobicContact CB-CG 3.55Å; P102-Y106 HydrophobicContact CG-CD1 3.91Å; P102-Y106 HydrophobicContact CG-CE1 4.16Å; P102-Y106 HydrophobicContact CG-CG 4.34Å; P103-Y106 WeakPolarHBondContact O-CB 3.41Å; P103-Y106 PolarHBondContact O-N 2.96Å; P104-Y106 VanDerWaalsContact C-N 3.27Å; P104-Y106 PolarHBondContact O-N 3.41Å; Y106-S108 VanDerWaalsContact C-N 3.31Å; Y106-S108 PolarHBondContact O-N 3.14Å; Y106-L109 PolarHBondContact O-N 2.83Å; Y106-L110 HydrophobicContact CE1-CD2 4.12Å; Y106-L110 WeakPolarHBondContact O-CB 3.43Å; Y106-L110 PolarHBondContact O-N 3.16Å; Y106-H154 HydrophobicContact CE2-CB 4.09Å
107Y87.4Confident79.4Confident62 Ų6277.4 Ų77.424%0.24342%0.421CS..Hα-helixtrans-64.9-36.7-179.4-62-70.9000112.3V101 P102 P104 L110 I111 F129V101-Y107 HydrophobicContact CG1-CE2 4.12Å; P102-Y107 HydrophobicContact CB-CE2 4.16Å; P102-Y107 WeakPolarHBondContact CD-OH 3.25Å; P102-Y107 WeakPolarHBondContact O-CE2 3.21Å; P104-Y107 PolarHBondContact O-N 2.67Å; Y107-L110 PolarHBondContact O-N 3.25Å; Y107-I111 WeakPolarHBondContact O-CB 3.16Å; Y107-I111 WeakPolarHBondContact O-CD1 3.03Å; Y107-I111 WeakPolarHBondContact O-CG1 3.03Å; Y107-I111 PolarHBondContact O-N 2.95Å; Y107-F129 HydrophobicContact CD1-CB 4.33Å; Y107-F129 HydrophobicContact CD1-CD1 4.44Å; Y107-F129 HydrophobicContact CD1-CG 4.39Å; Y107-F129 HydrophobicContact CE1-CB 3.96Å; Y107-F129 HydrophobicContact CE1-CG 4.27Å
108S88.3Confident81.7Confident79 Ų7969 Ų6955%0.55239%0.385SS*.Hα-helixtrans-63.5-42.6176.6-54.20000111.6P104 R105 Y106 S112P104-S108 PolarHBondContact O-N 2.9Å; P104-S108 VanDerWaalsContact O-N 3.13Å; P104-S108 PolarHBondContact O-OG 3.26Å; P104-S108 VanDerWaalsContact O-OG 3.08Å; R105-S108 PolarHBondContact O-N 3.02Å; Y106-S108 VanDerWaalsContact C-N 3.31Å; Y106-S108 PolarHBondContact O-N 3.14Å; S108-S112 PolarHBondContact O-N 2.93Å; S108-S112 VanDerWaalsContact O-N 3.12Å
109L88.1Confident83.8Confident82 Ų8273.1 Ų73.143%0.42938%0.384SS..Hα-helixtrans-64.7-48.5175.3-72.2168.5000111.1R105 Y106 I111 S112 E113R105-L109 HydrophobicContact CG-CD1 4.25Å; R105-L109 WeakPolarHBondContact O-CG 3.21Å; R105-L109 PolarHBondContact O-N 3.32Å; Y106-L109 PolarHBondContact O-N 2.83Å; L109-I111 PolarHBondContact O-N 3.36Å; L109-S112 PolarHBondContact O-N 2.94Å; L109-S112 VanDerWaalsContact O-N 3.09Å; L109-S112 PolarHBondContact O-OG 2.95Å; L109-E113 PolarHBondContact O-N 2.7Å
110L89.7Confident85.8Confident2 Ų271.7 Ų71.71%0.0139%0.388CS..Hα-helixtrans-59-46.1-18018059.8000111.8Y106 Y107 S112 E113 M114 F129 L132 L150 L179Y106-L110 HydrophobicContact CE1-CD2 4.12Å; Y106-L110 WeakPolarHBondContact O-CB 3.43Å; Y106-L110 PolarHBondContact O-N 3.16Å; Y107-L110 PolarHBondContact O-N 3.25Å; L110-S112 VanDerWaalsContact C-N 3.29Å; L110-S112 PolarHBondContact O-N 3.35Å; L110-E113 PolarHBondContact O-N 3.15Å; L110-M114 HydrophobicContact CD1-CG 4.44Å; L110-M114 HydrophobicContact CD1-SD 4.5Å; L110-M114 HydrophobicContact CG-SD 4.08Å; L110-M114 WeakPolarHBondContact O-CG 3.42Å; L110-M114 PolarHBondContact O-N 3.46Å; L110-F129 HydrophobicContact CD2-CB 4.25Å; L110-F129 HydrophobicContact CD2-CD1 4.24Å; L110-L132 HydrophobicContact CD1-CD1 4.28Å; L110-L150 HydrophobicContact CD1-CD1 3.57Å; L110-L150 HydrophobicContact CD2-CD1 3.78Å; L110-L150 HydrophobicContact CG-CD1 4.35Å; L110-L179 HydrophobicContact CD1-CD1 3.87Å
111I91.3Very high87.7Confident63 Ų6370.1 Ų70.132%0.32337%0.368SS..Hα-helixtrans-61.1-40.4176.4-68.7166.6000110.5Y107 L109 E113 M114 E115 W119Y107-I111 WeakPolarHBondContact O-CB 3.16Å; Y107-I111 WeakPolarHBondContact O-CD1 3.03Å; Y107-I111 WeakPolarHBondContact O-CG1 3.03Å; Y107-I111 PolarHBondContact O-N 2.95Å; L109-I111 PolarHBondContact O-N 3.36Å; I111-E113 PolarHBondContact O-N 3.38Å; I111-M114 WeakPolarHBondContact O-CB 3.43Å; I111-M114 PolarHBondContact O-N 3.4Å; I111-E115 WeakPolarHBondContact O-CG 3.29Å; I111-E115 PolarHBondContact O-N 3.41Å; I111-W119 HydrophobicContact CG2-CZ2 4.31Å
112S91.8Very high89Confident49 Ų4966.2 Ų66.234%0.34334%0.342SS..Hα-helixtrans-65.8-36.6176.483.30000113S108 L109 L110 E115 T116S108-S112 PolarHBondContact O-N 2.93Å; S108-S112 VanDerWaalsContact O-N 3.12Å; L109-S112 PolarHBondContact O-N 2.94Å; L109-S112 VanDerWaalsContact O-N 3.09Å; L109-S112 PolarHBondContact O-OG 2.95Å; L110-S112 VanDerWaalsContact C-N 3.29Å; L110-S112 PolarHBondContact O-N 3.35Å; S112-E115 PolarHBondContact O-N 2.92Å; S112-T116 WeakPolarHBondContact O-CB 3.26Å; S112-T116 PolarHBondContact O-N 2.72Å; S112-T116 PolarHBondContact O-OG1 2.8Å
113E92.2Very high90.1Very high26 Ų2668.7 Ų68.712%0.12135%0.354CS..Hα-helixtrans-65.2-41.7173.5-71.8176.5-16600110.6L109 L110 I111 T116 V117 H154 L179L109-E113 PolarHBondContact O-N 2.7Å; L110-E113 PolarHBondContact O-N 3.15Å; I111-E113 PolarHBondContact O-N 3.38Å; E113-T116 PolarHBondContact O-N 2.78Å; E113-V117 VanDerWaalsContact O-CG2 3.29Å; E113-V117 WeakPolarHBondContact O-CG2 3.41Å; E113-V117 PolarHBondContact O-N 2.75Å; E113-H154 IonicContact OE1-NE2 2.72Å; E113-H154 IonicContact OE2-CE1 2.92Å; E113-H154 IonicContact OE2-NE2 3.3Å; E113-H154 PolarHBondContact OE2-NE2 3.23Å; E113-L179 HydrophobicContact CB-CB 4.3Å; E113-L179 HydrophobicContact CB-CD1 3.97Å; E113-L179 HydrophobicContact CB-CG 4.23Å; E113-L179 WeakPolarHBondContact OE2-CG 3.36Å
114M92.6Very high90.8Very high4 Ų467 Ų672%0.0234%0.344CS..Hα-helixtrans-63.8-41.9176.3-66.1170.370.800112.2L110 I111 T116 V117 G118 W119 M122 I125 L132 L179L110-M114 HydrophobicContact CD1-CG 4.44Å; L110-M114 HydrophobicContact CD1-SD 4.5Å; L110-M114 HydrophobicContact CG-SD 4.08Å; L110-M114 WeakPolarHBondContact O-CG 3.42Å; L110-M114 PolarHBondContact O-N 3.46Å; I111-M114 WeakPolarHBondContact O-CB 3.43Å; I111-M114 PolarHBondContact O-N 3.4Å; M114-T116 VanDerWaalsContact C-N 3.32Å; M114-V117 PolarHBondContact O-N 3.08Å; M114-G118 PolarHBondContact O-N 2.83Å; M114-W119 HydrophobicContact CB-CH2 4.25Å; M114-W119 HydrophobicContact CB-CZ2 4.45Å; M114-W119 HydrophobicContact CE-CE3 4.46Å; M114-W119 HydrophobicContact CE-CH2 3.77Å; M114-W119 HydrophobicContact CE-CZ3 3.5Å; M114-W119 HydrophobicContact SD-CH2 4.44Å; M114-M122 HydrophobicContact CB-CE 3.66Å; M114-M122 HydrophobicContact CE-CE 4.22Å; M114-M122 HydrophobicContact CE-CG 4.37Å; M114-M122 HydrophobicContact CE-SD 3.82Å; M114-M122 HydrophobicContact CG-CE 3.51Å; M114-M122 HydrophobicContact CG-SD 4.34Å; M114-I125 HydrophobicContact CE-CD1 3.95Å; M114-I125 HydrophobicContact SD-CD1 4.17Å; M114-L132 HydrophobicContact CE-CD2 4.16Å; M114-L132 HydrophobicContact SD-CD2 4.24Å; M114-L179 HydrophobicContact CG-CD1 4.27Å
115E93.8Very high91.2Very high115 Ų11565 Ų6554%0.53733%0.327SS..Hα-helixtrans-61.1-41.3173.5-79.1173.7176.700111.8I111 S112 G118 W119I111-E115 WeakPolarHBondContact O-CG 3.29Å; I111-E115 PolarHBondContact O-N 3.41Å; S112-E115 PolarHBondContact O-N 2.92Å; E115-G118 PolarHBondContact O-N 3.34Å; E115-W119 HydrophobicContact CG-CZ2 3.96Å; E115-W119 VanDerWaalsContact CG-NE1 3.33Å
116T93.8Very high91.5Very high81 Ų8158 Ų5850%0.49730%0.304SS..Hα-helixtrans-66.4-41.7178.9-54.50000111.5S112 E113 M114 G118 E180S112-T116 WeakPolarHBondContact O-CB 3.26Å; S112-T116 PolarHBondContact O-N 2.72Å; S112-T116 PolarHBondContact O-OG1 2.8Å; E113-T116 PolarHBondContact O-N 2.78Å; M114-T116 VanDerWaalsContact C-N 3.32Å; T116-G118 VanDerWaalsContact C-N 3.3Å; T116-G118 PolarHBondContact O-N 2.8Å; T116-E180 HydrophobicContact CG2-CB 4.34Å; T116-E180 HydrophobicContact CG2-CG 4.49Å
117V93.9Very high91.3Very high3 Ų365.5 Ų65.52%0.01834%0.342CS..Hα-helixtrans-61.9-40.3174.5171.70000111.4E113 M114 K121 M122 L179 E180E113-V117 VanDerWaalsContact O-CG2 3.29Å; E113-V117 WeakPolarHBondContact O-CG2 3.41Å; E113-V117 PolarHBondContact O-N 2.75Å; M114-V117 PolarHBondContact O-N 3.08Å; V117-K121 HydrophobicContact CG1-CB 4.26Å; V117-K121 HydrophobicContact CG1-CD 4.16Å; V117-K121 WeakPolarHBondContact O-CD 3.39Å; V117-K121 WeakPolarHBondContact O-CE 3.09Å; V117-K121 PolarHBondContact O-NZ 3.19Å; V117-M122 HydrophobicContact CB-CE 4.37Å; V117-M122 HydrophobicContact CG1-CE 4.33Å; V117-L179 HydrophobicContact CG2-CB 3.63Å; V117-E180 HydrophobicContact CG2-CB 4.13Å
118G92.6Very high90.9Very high14 Ų1465.6 Ų65.614%0.14435%0.347CS..  trans109.2127.7-175.700000112.2M114 E115 T116 D120 K121M114-G118 PolarHBondContact O-N 2.83Å; E115-G118 PolarHBondContact O-N 3.34Å; T116-G118 VanDerWaalsContact C-N 3.3Å; T116-G118 PolarHBondContact O-N 2.8Å; G118-D120 WeakPolarHBondContact CA-OD1 3.41Å; G118-D120 PolarHBondContact O-N 3.29Å; G118-K121 PolarHBondContact O-N 2.98Å; G118-K121 VanDerWaalsContact O-N 3.12Å
119W91.3Very high90.8Very high139 Ų13965.3 Ų65.353%0.52734%0.336SS..G310 helixtrans-66.3-24.2179-68.8104.5000113.3I111 M114 E115 K121 M122I111-W119 HydrophobicContact CG2-CZ2 4.31Å; M114-W119 HydrophobicContact CB-CH2 4.25Å; M114-W119 HydrophobicContact CB-CZ2 4.45Å; M114-W119 HydrophobicContact CE-CE3 4.46Å; M114-W119 HydrophobicContact CE-CH2 3.77Å; M114-W119 HydrophobicContact CE-CZ3 3.5Å; M114-W119 HydrophobicContact SD-CH2 4.44Å; E115-W119 HydrophobicContact CG-CZ2 3.96Å; E115-W119 VanDerWaalsContact CG-NE1 3.33Å; W119-K121 PolarHBondContact O-N 3.25Å; W119-M122 HydrophobicContact CE3-CB 4.39Å; W119-M122 HydrophobicContact CE3-CG 4.24Å; W119-M122 PolarHBondContact O-N 3.24Å; W119-M122 VanDerWaalsContact O-N 3.12Å
120D92.5Very high90.7Very high119 Ų11965.2 Ų65.264%0.63633%0.333SS*.G310 helixtrans-62.4-26.5173.261.7-62.7000112.5G118G118-D120 WeakPolarHBondContact CA-OD1 3.41Å; G118-D120 PolarHBondContact O-N 3.29Å
121K93.3Very high90.9Very high70 Ų7066.9 Ų66.930%0.30434%0.343SS..G310 helixtrans-90.3-7.7176.9-53.8179.8-166.9152.80112.8V117 G118 W119 L123 L134 R135V117-K121 HydrophobicContact CG1-CB 4.26Å; V117-K121 HydrophobicContact CG1-CD 4.16Å; V117-K121 WeakPolarHBondContact O-CD 3.39Å; V117-K121 WeakPolarHBondContact O-CE 3.09Å; V117-K121 PolarHBondContact O-NZ 3.19Å; G118-K121 PolarHBondContact O-N 2.98Å; G118-K121 VanDerWaalsContact O-N 3.12Å; W119-K121 PolarHBondContact O-N 3.25Å; K121-L123 PolarHBondContact O-N 3.28Å; K121-L134 CarbonylContact O-C 3.39Å; K121-L134 VanDerWaalsContact O-CA 3.29Å; K121-L134 WeakPolarHBondContact O-CA 3.32Å; K121-R135 PolarHBondContact O-N 3.06Å
122M93.8Very high91.1Very high30 Ų3063.9 Ų63.915%0.14833%0.328CS..EExtended strand (participates in β ladder)trans-86.8110179.8-72.5-76.216800110.5M114 V117 W119 L134M114-M122 HydrophobicContact CB-CE 3.66Å; M114-M122 HydrophobicContact CE-CE 4.22Å; M114-M122 HydrophobicContact CE-CG 4.37Å; M114-M122 HydrophobicContact CE-SD 3.82Å; M114-M122 HydrophobicContact CG-CE 3.51Å; M114-M122 HydrophobicContact CG-SD 4.34Å; V117-M122 HydrophobicContact CB-CE 4.37Å; V117-M122 HydrophobicContact CG1-CE 4.33Å; W119-M122 HydrophobicContact CE3-CB 4.39Å; W119-M122 HydrophobicContact CE3-CG 4.24Å; W119-M122 PolarHBondContact O-N 3.24Å; W119-M122 VanDerWaalsContact O-N 3.12Å; M122-L134 HydrophobicContact CE-CD2 3.27Å; M122-L134 HydrophobicContact CG-CD2 4.36Å; M122-L134 HydrophobicContact SD-CD2 3.28Å; M122-L134 WeakPolarHBondContact SD-CD2 3.21Å
123L94.5Very high91.3Very high87 Ų8765.7 Ų65.746%0.45533%0.33SS..EExtended strand (participates in β ladder)trans-81.9-45.7178-66.1174.1000112K121 K133 R135 T145K121-L123 PolarHBondContact O-N 3.28Å; L123-K133 HydrophobicContact CB-CB 4.1Å; L123-K133 WeakPolarHBondContact CB-O 3.45Å; L123-K133 PolarHBondContact N-O 3.45Å; L123-R135 HydrophobicContact CD1-CB 4.11Å; L123-R135 HydrophobicContact CD2-CB 3.92Å; L123-R135 HydrophobicContact CD2-CG 4.24Å; L123-R135 HydrophobicContact CG-CB 3.85Å; L123-T145 HydrophobicContact CD1-CG2 3.85Å
124S93.8Very high91.6Very high58 Ų5864.5 Ų64.541%0.40632%0.324SS..EExtended strand (participates in β ladder)trans-163.3153.5179.566.50000111.8K133S124-K133 PolarHBondContact N-O 3.43Å; S124-K133 PolarHBondContact O-N 3.32Å; S124-K133 WeakPolarHBondContact OG-CD 3.31Å
125I92.5Very high91.8Very high61 Ų6169.5 Ų69.531%0.31334%0.343SS..EExtended strand (participates in β ladder)trans-126.1142167.8-172.5163.7000108.9M114 F129 T131 L132M114-I125 HydrophobicContact CE-CD1 3.95Å; M114-I125 HydrophobicContact SD-CD1 4.17Å; I125-F129 HydrophobicContact CD1-CB 4.16Å; I125-F129 HydrophobicContact CD1-CD1 3.21Å; I125-F129 HydrophobicContact CD1-CD2 4.43Å; I125-F129 HydrophobicContact CD1-CE1 3.58Å; I125-F129 HydrophobicContact CD1-CG 3.69Å; I125-F129 HydrophobicContact CD1-CZ 4.32Å; I125-F129 HydrophobicContact CG1-CD1 4.29Å; I125-F129 HydrophobicContact CG1-CG 4.36Å; I125-T131 WeakPolarHBondContact CA-O 3.44Å; I125-L132 HydrophobicContact CB-CD2 4.13Å; I125-L132 HydrophobicContact CD1-CD2 3.4Å; I125-L132 VanDerWaalsContact CD1-CD2 3.4Å; I125-L132 HydrophobicContact CG1-CD2 3.66Å
126D89.1Confident91.9Very high46 Ų4664.2 Ų64.225%0.24632%0.319CS..  trans-73.2164.9173.369.32000112.2D128 F129 Q130 T131D126-D128 PolarHBondContact O-N 3.23Å; D126-D128 VanDerWaalsContact O-N 3.15Å; D126-D128 PolarHBondContact OD1-N 3.09Å; D126-F129 PolarHBondContact O-N 3.23Å; D126-F129 WeakPolarHBondContact OD1-CA 3.34Å; D126-F129 PolarHBondContact OD1-N 2.99Å; D126-Q130 PolarHBondContact OD1-N 2.88Å; D126-T131 PolarHBondContact N-O 3.12Å; D126-T131 PolarHBondContact OD1-N 3.47Å; D126-T131 WeakPolarHBondContact OD2-CB 3.36Å; D126-T131 PolarHBondContact OD2-N 3.37Å; D126-T131 PolarHBondContact OD2-OG1 3.24Å
127M80.4Confident92Very high185 Ų18565.4 Ų65.491%0.91132%0.319SS*.THydrogen-bonded Turntrans-65.5-18.5-178.1-62.9-174.771.400113.2
128D80.6Confident92Very high65 Ų6565.6 Ų65.635%0.34832%0.32SS..THydrogen-bonded Turntrans-94.4-2.9-177.3-66.1-36.4000112.8R99 D126 Q130R99-D128 IonicContact CZ-OD1 2.82Å; R99-D128 IonicContact CZ-OD2 2.87Å; R99-D128 IonicContact NH1-OD1 3.56Å; R99-D128 PolarHBondContact NH1-OD1 3.46Å; R99-D128 IonicContact NH1-OD2 2.65Å; R99-D128 PolarHBondContact NH1-OD2 3.16Å; R99-D128 IonicContact NH2-OD2 2.79Å; R99-D128 PolarHBondContact NH2-OD2 2.8Å; D126-D128 PolarHBondContact O-N 3.23Å; D126-D128 VanDerWaalsContact O-N 3.15Å; D126-D128 PolarHBondContact OD1-N 3.09Å; D128-Q130 HydrophobicContact CB-CG 4.26Å; D128-Q130 PolarHBondContact O-N 2.96Å
129F84.8Confident92.1Very high72 Ų7268.7 Ų68.732%0.31634%0.339SS..SBendtrans53.238-174.9-74.9-111.3000112.4Y107 L110 I125 D126Y107-F129 HydrophobicContact CD1-CB 4.33Å; Y107-F129 HydrophobicContact CD1-CD1 4.44Å; Y107-F129 HydrophobicContact CD1-CG 4.39Å; Y107-F129 HydrophobicContact CE1-CB 3.96Å; Y107-F129 HydrophobicContact CE1-CG 4.27Å; L110-F129 HydrophobicContact CD2-CB 4.25Å; L110-F129 HydrophobicContact CD2-CD1 4.24Å; I125-F129 HydrophobicContact CD1-CB 4.16Å; I125-F129 HydrophobicContact CD1-CD1 3.21Å; I125-F129 HydrophobicContact CD1-CD2 4.43Å; I125-F129 HydrophobicContact CD1-CE1 3.58Å; I125-F129 HydrophobicContact CD1-CG 3.69Å; I125-F129 HydrophobicContact CD1-CZ 4.32Å; I125-F129 HydrophobicContact CG1-CD1 4.29Å; I125-F129 HydrophobicContact CG1-CG 4.36Å; D126-F129 PolarHBondContact O-N 3.23Å; D126-F129 WeakPolarHBondContact OD1-CA 3.34Å; D126-F129 PolarHBondContact OD1-N 2.99Å
130Q86.9Confident92.2Very high81 Ų8165 Ų6538%0.37934%0.335SS..  trans-111.2-37.3177.1-69.5-175.64.300111.4D126 D128 K149 L150D126-Q130 PolarHBondContact OD1-N 2.88Å; D128-Q130 HydrophobicContact CB-CG 4.26Å; D128-Q130 PolarHBondContact O-N 2.96Å; Q130-K149 CarbonylContact O-C 3.48Å; Q130-K149 WeakPolarHBondContact O-CA 3.37Å; Q130-L150 WeakPolarHBondContact O-CB 3.32Å; Q130-L150 PolarHBondContact O-N 3.38Å
131T93.3Very high92.3Very high36 Ų3661.1 Ų61.122%0.22132%0.322CS..EExtended strand (participates in β ladder)trans-109.2116.8-178.1-46.40000110.4I125 D126 T147 V148 K149I125-T131 WeakPolarHBondContact CA-O 3.44Å; D126-T131 PolarHBondContact N-O 3.12Å; D126-T131 PolarHBondContact OD1-N 3.47Å; D126-T131 WeakPolarHBondContact OD2-CB 3.36Å; D126-T131 PolarHBondContact OD2-N 3.37Å; D126-T131 PolarHBondContact OD2-OG1 3.24Å; T131-T147 HydrophobicContact CG2-CG2 3.76Å; T131-V148 WeakPolarHBondContact CA-O 3.5Å; T131-K149 HydrophobicContact CG2-CG 4.05Å
132L95.4Very high92.4Very high0 Ų058.7 Ų58.70%031%0.311CS..EExtended strand (participates in β ladder)trans-106142.1174.3-56.5167.4000109.5L110 M114 I125 T147 V148 L150 L179L110-L132 HydrophobicContact CD1-CD1 4.28Å; M114-L132 HydrophobicContact CE-CD2 4.16Å; M114-L132 HydrophobicContact SD-CD2 4.24Å; I125-L132 HydrophobicContact CB-CD2 4.13Å; I125-L132 HydrophobicContact CD1-CD2 3.4Å; I125-L132 VanDerWaalsContact CD1-CD2 3.4Å; I125-L132 HydrophobicContact CG1-CD2 3.66Å; L132-T147 CarbonylContact O-C 3.49Å; L132-T147 WeakPolarHBondContact O-CA 3.46Å; L132-V148 HydrophobicContact CB-CB 4.31Å; L132-V148 PolarHBondContact N-O 3.33Å; L132-V148 PolarHBondContact O-N 3.2Å; L132-L150 HydrophobicContact CD1-CD1 4.01Å; L132-L150 HydrophobicContact CD1-CD2 4.41Å; L132-L150 HydrophobicContact CD1-CG 4.32Å; L132-L150 HydrophobicContact CG-CD1 4.46Å; L132-L179 HydrophobicContact CD1-CD1 3.58Å; L132-L179 HydrophobicContact CD1-CD2 4.05Å; L132-L179 HydrophobicContact CD1-CG 4.5Å
133K97.1Very high92.4Very high88 Ų8861 Ų6138%0.38332%0.322SS..EExtended strand (participates in β ladder)trans-117120.7166.4-64.8-169.7-180-177.50109.6L123 S124 T145 L146 T147L123-K133 HydrophobicContact CB-CB 4.1Å; L123-K133 WeakPolarHBondContact CB-O 3.45Å; L123-K133 PolarHBondContact N-O 3.45Å; S124-K133 PolarHBondContact N-O 3.43Å; S124-K133 PolarHBondContact O-N 3.32Å; S124-K133 WeakPolarHBondContact OG-CD 3.31Å; K133-T145 HydrophobicContact CB-CG2 4.23Å; K133-T145 HydrophobicContact CD-CG2 4.4Å; K133-L146 CarbonylContact C-O 3.5Å; K133-L146 WeakPolarHBondContact CA-O 3.41Å; K133-T147 HydrophobicContact CG-CG2 4.47Å
134L96.9Very high92.6Very high0 Ų057.4 Ų57.40%030%0.302CS..EExtended strand (participates in β ladder)trans-107.8136.8-179.4-52.7179.3000110K121 M122 T145 L146 V148K121-L134 CarbonylContact O-C 3.39Å; K121-L134 VanDerWaalsContact O-CA 3.29Å; K121-L134 WeakPolarHBondContact O-CA 3.32Å; M122-L134 HydrophobicContact CE-CD2 3.27Å; M122-L134 HydrophobicContact CG-CD2 4.36Å; M122-L134 HydrophobicContact SD-CD2 3.28Å; M122-L134 WeakPolarHBondContact SD-CD2 3.21Å; L134-T145 CarbonylContact O-C 3.59Å; L134-T145 WeakPolarHBondContact O-CA 2.96Å; L134-L146 HydrophobicContact CB-CB 4.31Å; L134-L146 HydrophobicContact CD1-CD2 4.4Å; L134-L146 PolarHBondContact N-O 3.19Å; L134-L146 PolarHBondContact O-N 2.9Å; L134-V148 HydrophobicContact CD1-CG2 4.16Å
135R96.9Very high92.8Very high109 Ų10957.7 Ų57.741%0.41130%0.302SS..EExtended strand (participates in β ladder)trans-81.6141.1170-165.9178.1-168.1-175.6-5.2109.3K121 L123 Q143 H183K121-R135 PolarHBondContact O-N 3.06Å; L123-R135 HydrophobicContact CD1-CB 4.11Å; L123-R135 HydrophobicContact CD2-CB 3.92Å; L123-R135 HydrophobicContact CD2-CG 4.24Å; L123-R135 HydrophobicContact CG-CB 3.85Å; R135-Q143 VanDerWaalsContact CZ-OE1 3.26Å; R135-Q143 VanDerWaalsContact NH2-OE1 3.09Å; R135-H183 PolarHBondContact O-NE2 3.08Å
136A96.1Very high93Very high4 Ų454.8 Ų54.83%0.03329%0.287CS..EExtended strand (participates in β ladder)trans-137.3149.2165.800000109.1H144 F186 L187 L190A136-H144 HydrophobicContact CB-CB 4.42Å; A136-H144 PolarHBondContact N-O 3.14Å; A136-H144 PolarHBondContact O-N 3.15Å; A136-F186 HydrophobicContact CB-CD1 3.75Å; A136-F186 HydrophobicContact CB-CE1 3.54Å; A136-L187 HydrophobicContact CB-CD2 3.84Å; A136-L190 HydrophobicContact CB-CD1 3.6Å
137E95.5Very high93.4Very high107 Ų10753.8 Ų53.850%0.528%0.283SS..EExtended strand (participates in β ladder)trans-123.2131.4176.2-172.7171.6151.900107.6G141 R142 Q143E137-G141 WeakPolarHBondContact OE1-CA 3.47Å; E137-R142 VanDerWaalsContact CA-O 3.3Å; E137-R142 WeakPolarHBondContact CA-O 3.29Å; E137-Q143 PolarHBondContact OE2-NE2 3.46Å
138D94.8Very high94.2Very high7 Ų745 Ų454%0.03724%0.239CC..  trans-86.1172.7174.767.324.9000111.9S140 G141 R142 H144 L190D138-S140 PolarHBondContact O-N 2.89Å; D138-S140 WeakPolarHBondContact OD1-CA 3.39Å; D138-S140 WeakPolarHBondContact OD1-CB 3.5Å; D138-S140 PolarHBondContact OD1-N 3.45Å; D138-G141 PolarHBondContact O-N 3.32Å; D138-G141 PolarHBondContact OD1-N 3.11Å; D138-R142 PolarHBondContact N-O 3.45Å; D138-R142 VanDerWaalsContact N-O 3.12Å; D138-R142 WeakPolarHBondContact OD1-CB 3.37Å; D138-R142 PolarHBondContact OD1-N 2.79Å; D138-R142 IonicContact OD1-NE 3.19Å; D138-R142 PolarHBondContact OD1-NE 2.92Å; D138-R142 WeakPolarHBondContact OD2-CB 3.3Å; D138-R142 IonicContact OD2-CZ 3.06Å; D138-R142 IonicContact OD2-NE 3.78Å; D138-R142 PolarHBondContact OD2-NE 3.01Å; D138-R142 IonicContact OD2-NH2 3.68Å; D138-R142 PolarHBondContact OD2-NH2 3.06Å; D138-H144 IonicContact OD2-CD2 3.29Å; D138-H144 IonicContact OD2-CE1 3.44Å; D138-H144 IonicContact OD2-NE2 3.7Å; D138-H144 PolarHBondContact OD2-NE2 2.99Å; D138-L190 HydrophobicContact CB-CB 4.31Å
139S93.9Very high94.8Very high79 Ų7947 Ų4755%0.55225%0.245SC*.THydrogen-bonded Turntrans-57.9-16.9178.449.90000115.5E191S139-E191 WeakPolarHBondContact CB-OE1 3.37Å; S139-E191 VanDerWaalsContact CB-OE2 3.29Å; S139-E191 WeakPolarHBondContact CB-OE2 3.31Å; S139-E191 PolarHBondContact N-OE1 3.48Å; S139-E191 PolarHBondContact OG-OE1 2.82Å; S139-E191 PolarHBondContact OG-OE2 3Å
140S93.9Very high95.2Very high62 Ų6244 Ų4443%0.43423%0.232SC..THydrogen-bonded Turntrans-96.66.6175.7-60.90000113.2D138 R142 D198D138-S140 PolarHBondContact O-N 2.89Å; D138-S140 WeakPolarHBondContact OD1-CA 3.39Å; D138-S140 WeakPolarHBondContact OD1-CB 3.5Å; D138-S140 PolarHBondContact OD1-N 3.45Å; S140-R142 VanDerWaalsContact C-N 3.31Å; S140-R142 PolarHBondContact O-N 2.95Å; S140-R142 PolarHBondContact OG-NH2 3.07Å; S140-D198 PolarHBondContact OG-OD1 2.8Å
141G93.7Very high95.2Very high36 Ų3642.8 Ų42.837%0.37123%0.225SC..  trans7910.5178.600000114.2E137 D138E137-G141 WeakPolarHBondContact OE1-CA 3.47Å; D138-G141 PolarHBondContact O-N 3.32Å; D138-G141 PolarHBondContact OD1-N 3.11Å
142R95.4Very high94.6Very high20 Ų2046 Ų468%0.07525%0.249CC..  trans-80.3141.8-179.9-58.1171-78.5-131.8-7.8110.1E137 D138 S140 H144 T194 W197 D198 D201E137-R142 VanDerWaalsContact CA-O 3.3Å; E137-R142 WeakPolarHBondContact CA-O 3.29Å; D138-R142 PolarHBondContact N-O 3.45Å; D138-R142 VanDerWaalsContact N-O 3.12Å; D138-R142 WeakPolarHBondContact OD1-CB 3.37Å; D138-R142 PolarHBondContact OD1-N 2.79Å; D138-R142 IonicContact OD1-NE 3.19Å; D138-R142 PolarHBondContact OD1-NE 2.92Å; D138-R142 WeakPolarHBondContact OD2-CB 3.3Å; D138-R142 IonicContact OD2-CZ 3.06Å; D138-R142 IonicContact OD2-NE 3.78Å; D138-R142 PolarHBondContact OD2-NE 3.01Å; D138-R142 IonicContact OD2-NH2 3.68Å; D138-R142 PolarHBondContact OD2-NH2 3.06Å; S140-R142 VanDerWaalsContact C-N 3.31Å; S140-R142 PolarHBondContact O-N 2.95Å; S140-R142 PolarHBondContact OG-NH2 3.07Å; R142-H144 PolarHBondContact O-CD2 2.86Å; R142-H144 VanDerWaalsContact O-CD2 3.31Å; R142-T194 PolarHBondContact NH2-O 3.12Å; R142-W197 VanDerWaalsContact CZ-CB 3.45Å; R142-D198 IonicContact CZ-OD1 3.72Å; R142-D198 VanDerWaalsContact NH1-N 3.16Å; R142-D198 IonicContact NH1-OD1 3.82Å; R142-D198 PolarHBondContact NH1-OD1 2.81Å; R142-D198 IonicContact NH2-OD1 2.9Å; R142-D198 PolarHBondContact NH2-OD1 3.46Å; R142-D201 VanDerWaalsContact CD-OD2 3.27Å; R142-D201 WeakPolarHBondContact CD-OD2 3.28Å; R142-D201 IonicContact CZ-OD2 2.75Å; R142-D201 IonicContact NE-OD2 3.74Å; R142-D201 IonicContact NH1-OD2 2.83Å; R142-D201 PolarHBondContact NH1-OD2 3.42Å
143Q95.8Very high94.1Very high79 Ų7952.8 Ų52.837%0.36928%0.279SS..EExtended strand (participates in β ladder)trans-96.1125.9-175.1-59.7-64.4-35.400110.6R135 E137R135-Q143 VanDerWaalsContact CZ-OE1 3.26Å; R135-Q143 VanDerWaalsContact NH2-OE1 3.09Å; E137-Q143 PolarHBondContact OE2-NE2 3.46Å
144H97.1Very high93.5Very high10 Ų1049.3 Ų49.35%0.04626%0.264CS..EExtended strand (participates in β ladder)trans-120.8150.3-179.9-60.6-86.6000110.1A136 D138 R142 F186 L190 W197A136-H144 HydrophobicContact CB-CB 4.42Å; A136-H144 PolarHBondContact N-O 3.14Å; A136-H144 PolarHBondContact O-N 3.15Å; D138-H144 IonicContact OD2-CD2 3.29Å; D138-H144 IonicContact OD2-CE1 3.44Å; D138-H144 IonicContact OD2-NE2 3.7Å; D138-H144 PolarHBondContact OD2-NE2 2.99Å; R142-H144 PolarHBondContact O-CD2 2.86Å; R142-H144 VanDerWaalsContact O-CD2 3.31Å; H144-F186 HydrophobicContact CB-CE1 4.23Å; H144-F186 HydrophobicContact CB-CZ 4.14Å; H144-L190 HydrophobicContact CB-CD1 3.83Å; H144-L190 HydrophobicContact CB-CD2 4.05Å; H144-W197 AromaticContact CE1-CD2 3.97Å; H144-W197 AromaticContact CE1-CE2 3.94Å; H144-W197 AromaticContact CE1-CE3 3.68Å; H144-W197 AromaticContact CE1-CH2 3.39Å; H144-W197 WeakPolarHBondContact CE1-CH2 3.44Å; H144-W197 AromaticContact CE1-CZ2 3.67Å; H144-W197 AromaticContact CE1-CZ3 3.38Å; H144-W197 WeakPolarHBondContact CE1-CZ3 3.49Å; H144-W197 AromaticContact ND1-CH2 3.94Å; H144-W197 AromaticContact NE2-CE3 3.94Å; H144-W197 AromaticContact NE2-CZ3 3.65Å
145T97.6Very high93Very high65 Ų6551.2 Ų51.240%0.39928%0.277SS..EExtended strand (participates in β ladder)trans-121122.8178.8-61.90000110.5L123 K133 L134 A163L123-T145 HydrophobicContact CD1-CG2 3.85Å; K133-T145 HydrophobicContact CB-CG2 4.23Å; K133-T145 HydrophobicContact CD-CG2 4.4Å; L134-T145 CarbonylContact O-C 3.59Å; L134-T145 WeakPolarHBondContact O-CA 2.96Å; T145-A163 WeakPolarHBondContact O-CB 3.37Å
146L97.6Very high92.5Very high0 Ų049.4 Ų49.40%029%0.285CS..EExtended strand (participates in β ladder)trans-100.3120171.5178.861.7000109.7K133 L134 V148 C161 A163 L169 L182 F186K133-L146 CarbonylContact C-O 3.5Å; K133-L146 WeakPolarHBondContact CA-O 3.41Å; L134-L146 HydrophobicContact CB-CB 4.31Å; L134-L146 HydrophobicContact CD1-CD2 4.4Å; L134-L146 PolarHBondContact N-O 3.19Å; L134-L146 PolarHBondContact O-N 2.9Å; L146-V148 HydrophobicContact CD2-CG2 4.08Å; L146-V148 HydrophobicContact CG-CG2 3.88Å; L146-C161 HydrophobicContact CD1-CB 4.28Å; L146-A163 HydrophobicContact CD1-CB 4.31Å; L146-L169 HydrophobicContact CD1-CD2 3.57Å; L146-L182 HydrophobicContact CD2-CD2 3.35Å; L146-L182 HydrophobicContact CG-CD2 4.45Å; L146-F186 HydrophobicContact CB-CD1 3.8Å; L146-F186 HydrophobicContact CB-CE1 3.65Å; L146-F186 HydrophobicContact CB-CE2 4.46Å; L146-F186 HydrophobicContact CB-CG 4.27Å; L146-F186 HydrophobicContact CB-CZ 4.01Å; L146-F186 HydrophobicContact CD1-CD2 4.09Å; L146-F186 HydrophobicContact CD1-CE2 4.24Å; L146-F186 HydrophobicContact CD1-CG 4.31Å; L146-F186 HydrophobicContact CD2-CB 3.79Å; L146-F186 HydrophobicContact CD2-CD1 3.91Å; L146-F186 HydrophobicContact CD2-CD2 4.39Å; L146-F186 HydrophobicContact CD2-CG 3.79Å; L146-F186 HydrophobicContact CG-CD1 4.35Å; L146-F186 HydrophobicContact CG-CG 4.36Å
147T97.6Very high92.1Very high24 Ų2452.8 Ų52.815%0.14730%0.3CS..EExtended strand (participates in β ladder)trans-95.5123.6171.4-57.50000109.1T131 L132 K133 C161 S162T131-T147 HydrophobicContact CG2-CG2 3.76Å; L132-T147 CarbonylContact O-C 3.49Å; L132-T147 WeakPolarHBondContact O-CA 3.46Å; K133-T147 HydrophobicContact CG-CG2 4.47Å; T147-C161 WeakPolarHBondContact O-CA 3.33Å; T147-S162 PolarHBondContact N-O 3.39Å; T147-S162 PolarHBondContact O-N 2.96Å
148V96.8Very high92Very high0 Ų049.7 Ų49.70%029%0.292CS..EExtended strand (participates in β ladder)trans-116.5119.1179.7-174.60000108.4T131 L132 L134 L146 L150 P159 L179 L182T131-V148 WeakPolarHBondContact CA-O 3.5Å; L132-V148 HydrophobicContact CB-CB 4.31Å; L132-V148 PolarHBondContact N-O 3.33Å; L132-V148 PolarHBondContact O-N 3.2Å; L134-V148 HydrophobicContact CD1-CG2 4.16Å; L146-V148 HydrophobicContact CD2-CG2 4.08Å; L146-V148 HydrophobicContact CG-CG2 3.88Å; V148-L150 HydrophobicContact CG1-CD2 4.04Å; V148-P159 HydrophobicContact CG1-CB 3.65Å; V148-P159 HydrophobicContact CG1-CG 3.98Å; V148-L179 HydrophobicContact CG1-CD2 4.19Å; V148-L182 HydrophobicContact CG1-CD1 4.19Å; V148-L182 HydrophobicContact CG2-CD2 3.81Å
149K94.4Very high91.9Very high108 Ų10850 Ų5047%0.4729%0.294SS..EExtended strand (participates in β ladder)trans-104.4105.2174.5-66.7178.8-178.2176.70109.5Q130 T131 P159 D160Q130-K149 CarbonylContact O-C 3.48Å; Q130-K149 WeakPolarHBondContact O-CA 3.37Å; T131-K149 HydrophobicContact CG2-CG 4.05Å; K149-P159 CarbonylContact O-C 3.59Å; K149-P159 VanDerWaalsContact O-CA 3.26Å; K149-P159 WeakPolarHBondContact O-CA 3.41Å; K149-P159 WeakPolarHBondContact O-CB 3.2Å; K149-D160 HydrophobicContact CB-CB 4.25Å; K149-D160 PolarHBondContact N-O 3.28Å; K149-D160 PolarHBondContact O-N 2.66Å
150L91.7Very high92Very high8 Ų850.3 Ų50.34%0.04229%0.29CS..  trans-70.4137.8176.3-54.4177.4000110.2L110 Q130 L132 V148 H154 P159 L179L110-L150 HydrophobicContact CD1-CD1 3.57Å; L110-L150 HydrophobicContact CD2-CD1 3.78Å; L110-L150 HydrophobicContact CG-CD1 4.35Å; Q130-L150 WeakPolarHBondContact O-CB 3.32Å; Q130-L150 PolarHBondContact O-N 3.38Å; L132-L150 HydrophobicContact CD1-CD1 4.01Å; L132-L150 HydrophobicContact CD1-CD2 4.41Å; L132-L150 HydrophobicContact CD1-CG 4.32Å; L132-L150 HydrophobicContact CG-CD1 4.46Å; V148-L150 HydrophobicContact CG1-CD2 4.04Å; L150-H154 HydrophobicContact CB-CB 4.4Å; L150-P159 HydrophobicContact CD2-CB 4.14Å; L150-L179 HydrophobicContact CD2-CD2 4.33Å
151K87.4Confident92.1Very high56 Ų5649 Ų4924%0.24328%0.28CS..  trans-92.6163.9174.5-61.5-173.3-175163.80110.5K153 H154 E157 A158 D160K151-K153 PolarHBondContact O-N 3.03Å; K151-H154 WeakPolarHBondContact O-CB 3.08Å; K151-H154 PolarHBondContact O-N 3.44Å; K151-E157 HydrophobicContact CB-CB 4.41Å; K151-E157 HydrophobicContact CB-CG 4.37Å; K151-E157 HydrophobicContact CD-CG 3.77Å; K151-E157 WeakPolarHBondContact CD-OE1 3.21Å; K151-E157 IonicContact NZ-OE1 3.74Å; K151-A158 WeakPolarHBondContact CD-O 3.32Å; K151-A158 VanDerWaalsContact CE-O 3.29Å; K151-A158 WeakPolarHBondContact CE-O 3.34Å; K151-A158 PolarHBondContact NZ-O 2.97Å; K151-D160 WeakPolarHBondContact CE-OD1 3.32Å; K151-D160 WeakPolarHBondContact CE-OD2 3.19Å; K151-D160 IonicContact NZ-OD1 2.73Å; K151-D160 PolarHBondContact NZ-OD1 2.9Å; K151-D160 IonicContact NZ-OD2 4Å
152S82Confident92.2Very high103 Ų10350 Ų5072%0.7228%0.282SS*.THydrogen-bonded Turntrans-59.5-20.8-175.957.60000114.1
153K83.9Confident92.3Very high143 Ų14350.3 Ų50.362%0.62229%0.289SS*.THydrogen-bonded Turntrans-106.718.5179-61.7179.6-177.1174.60113.8K151 A156 E157K151-K153 PolarHBondContact O-N 3.03Å; K153-A156 WeakPolarHBondContact O-CA 3.22Å; K153-A156 WeakPolarHBondContact O-CB 3.25Å; K153-A156 PolarHBondContact O-N 3.32Å; K153-E157 HydrophobicContact CB-CB 3.98Å; K153-E157 PolarHBondContact O-N 3.06Å
154H84.8Confident92.3Very high15 Ų1551.8 Ų51.87%0.06930%0.299CS..THydrogen-bonded Turntrans-55.4135.1174.4174.883.1000111.1Y106 E113 L150 K151 W173Y106-H154 HydrophobicContact CE2-CB 4.09Å; E113-H154 IonicContact OE1-NE2 2.72Å; E113-H154 IonicContact OE2-CE1 2.92Å; E113-H154 IonicContact OE2-NE2 3.3Å; E113-H154 PolarHBondContact OE2-NE2 3.23Å; L150-H154 HydrophobicContact CB-CB 4.4Å; K151-H154 WeakPolarHBondContact O-CB 3.08Å; K151-H154 PolarHBondContact O-N 3.44Å; H154-W173 AromaticContact CE1-CH2 3.72Å; H154-W173 AromaticContact CE1-CZ2 3.64Å; H154-W173 AromaticContact ND1-CZ2 3.8Å
155P85.6Confident92.2Very high41 Ų4152.1 Ų52.127%0.26630%0.301SS..THydrogen-bonded Turncis-91.20.6435.7-36.3000115.3E157 W173P155-E157 PolarHBondContact O-N 2.94Å; P155-W173 HydrophobicContact CB-CZ2 3.86Å; P155-W173 PolarHBondContact O-NE1 3.31Å
156A87.4Confident92.2Very high70 Ų7050.2 Ų50.258%0.57929%0.29SS*.THydrogen-bonded Turntrans-65.4-28.3-177.400000113.2K153K153-A156 WeakPolarHBondContact O-CA 3.22Å; K153-A156 WeakPolarHBondContact O-CB 3.25Å; K153-A156 PolarHBondContact O-N 3.32Å
157E88.3Confident92Very high76 Ų7651.7 Ų51.736%0.35530%0.299SS..SBendtrans-108.1136.1172.7-164.5-177.517200110.5K151 K153 P155K151-E157 HydrophobicContact CB-CB 4.41Å; K151-E157 HydrophobicContact CB-CG 4.37Å; K151-E157 HydrophobicContact CD-CG 3.77Å; K151-E157 WeakPolarHBondContact CD-OE1 3.21Å; K151-E157 IonicContact NZ-OE1 3.74Å; K153-E157 HydrophobicContact CB-CB 3.98Å; K153-E157 PolarHBondContact O-N 3.06Å; P155-E157 PolarHBondContact O-N 2.94Å
158A91.8Very high91.8Very high41 Ų4155.7 Ų55.734%0.33933%0.325SS..PPolyproline II helixtrans-65.9136.5-177.800000112.2K151 W173K151-A158 WeakPolarHBondContact CD-O 3.32Å; K151-A158 VanDerWaalsContact CE-O 3.29Å; K151-A158 WeakPolarHBondContact CE-O 3.34Å; K151-A158 PolarHBondContact NZ-O 2.97Å; A158-W173 HydrophobicContact CB-CB 3.75Å; A158-W173 HydrophobicContact CB-CG 3.68Å
159P94.1Very high91.7Very high13 Ų1357.4 Ų57.48%0.08433%0.334CS..PPolyproline II helixtrans-72151.617531.5-35.1000111.4V148 K149 L150 W173 L182V148-P159 HydrophobicContact CG1-CB 3.65Å; V148-P159 HydrophobicContact CG1-CG 3.98Å; K149-P159 CarbonylContact O-C 3.59Å; K149-P159 VanDerWaalsContact O-CA 3.26Å; K149-P159 WeakPolarHBondContact O-CA 3.41Å; K149-P159 WeakPolarHBondContact O-CB 3.2Å; L150-P159 HydrophobicContact CD2-CB 4.14Å; P159-W173 HydrophobicContact CG-CD2 4.42Å; P159-W173 HydrophobicContact CG-CE3 4.29Å; P159-W173 HydrophobicContact CG-CZ3 4.37Å; P159-L182 HydrophobicContact CG-CD1 3.67Å
160D94.5Very high91.5Very high87 Ų8757.9 Ų57.947%0.46535%0.346SS..EExtended strand (participates in β ladder)trans-83.7121.3172.3-57.3-39.3000109K149 K151K149-D160 HydrophobicContact CB-CB 4.25Å; K149-D160 PolarHBondContact N-O 3.28Å; K149-D160 PolarHBondContact O-N 2.66Å; K151-D160 WeakPolarHBondContact CE-OD1 3.32Å; K151-D160 WeakPolarHBondContact CE-OD2 3.19Å; K151-D160 IonicContact NZ-OD1 2.73Å; K151-D160 PolarHBondContact NZ-OD1 2.9Å; K151-D160 IonicContact NZ-OD2 4Å
161C96.1Very high91.5Very high33 Ų3359.3 Ų59.322%0.22335%0.354CS..EExtended strand (participates in β ladder)trans-111.8137-175.3-60.60000110.9L146 T147 L169 I171L146-C161 HydrophobicContact CD1-CB 4.28Å; T147-C161 WeakPolarHBondContact O-CA 3.33Å; C161-L169 HydrophobicContact CB-CD2 3.72Å; C161-I171 HydrophobicContact CB-CG1 4.27Å
162S96.1Very high91.8Very high59 Ų5961.5 Ų61.541%0.41337%0.372SS..EExtended strand (participates in β ladder)trans-143.9140.8175.862.50000111.6T147T147-S162 PolarHBondContact N-O 3.39Å; T147-S162 PolarHBondContact O-N 2.96Å
163A96.8Very high92.4Very high26 Ų2658.4 Ų58.422%0.21534%0.344CS..  trans-149.5160.5175.300000109.2T145 L146 L165 F186T145-A163 WeakPolarHBondContact O-CB 3.37Å; L146-A163 HydrophobicContact CD1-CB 4.31Å; A163-L165 HydrophobicContact CB-CD1 4.28Å; A163-L165 HydrophobicContact CB-CG 3.96Å; A163-L165 PolarHBondContact O-N 2.73Å; A163-F186 HydrophobicContact CB-CE2 3.59Å; A163-F186 HydrophobicContact CB-CZ 3.81Å
164D96.3Very high92.8Very high110 Ų11054.4 Ų54.459%0.58833%0.332SS*.SBendtrans-7775.1178.1-64.1-19.1000109.9R217 S218D164-R217 HydrophobicContact CB-CB 4.41Å; D164-R217 CarbonylContact O-C 3.59Å; D164-R217 WeakPolarHBondContact O-CB 3.4Å; D164-S218 PolarHBondContact O-N 3.29Å
165L96.6Very high93Very high16 Ų1657.1 Ų57.18%0.08435%0.351CS..  trans-113.8147.4-178.3-62.6-179.7000111.2A163 V167 L169 F186 V189 L190 L193 W197 S218A163-L165 HydrophobicContact CB-CD1 4.28Å; A163-L165 HydrophobicContact CB-CG 3.96Å; A163-L165 PolarHBondContact O-N 2.73Å; L165-V167 WeakPolarHBondContact CB-O 3.42Å; L165-V167 PolarHBondContact O-N 2.75Å; L165-L169 HydrophobicContact CD1-CB 4.17Å; L165-L169 HydrophobicContact CD1-CD1 3.9Å; L165-L169 HydrophobicContact CD1-CG 4.5Å; L165-F186 HydrophobicContact CD1-CE2 4.06Å; L165-F186 HydrophobicContact CD2-CE2 4.36Å; L165-F186 HydrophobicContact CG-CE2 4.47Å; L165-V189 HydrophobicContact CD1-CG1 3.86Å; L165-L190 HydrophobicContact CD2-CD2 3.88Å; L165-L193 HydrophobicContact CD2-CD1 4.03Å; L165-W197 HydrophobicContact CD2-CH2 3.81Å; L165-W197 HydrophobicContact CD2-CZ2 3.8Å; L165-S218 WeakPolarHBondContact O-CB 3.42Å
166P95.6Very high93.1Very high25 Ų2562.5 Ų62.516%0.16237%0.373CS..SBendtrans-78.1-4177.237.4-40.9000112.6L193 F196 T220 P238P166-L193 HydrophobicContact CG-CD1 4.17Å; P166-L193 HydrophobicContact CG-CD2 3.94Å; P166-F196 HydrophobicContact CB-CE1 3.74Å; P166-F196 HydrophobicContact CB-CZ 3.76Å; P166-F196 HydrophobicContact CG-CD1 3.9Å; P166-F196 HydrophobicContact CG-CE1 3.51Å; P166-F196 HydrophobicContact CG-CZ 4.02Å; P166-T220 HydrophobicContact CB-CG2 3.66Å; P166-P238 HydrophobicContact CB-CB 4.04Å; P166-P238 HydrophobicContact CB-CG 3.57Å; P166-P238 HydrophobicContact CG-CB 3.79Å; P166-P238 HydrophobicContact CG-CG 3.93Å
167V94.8Very high93.4Very high32 Ų3259.7 Ų59.719%0.19435%0.349CS..SBendtrans-132.3153.6179.1-63.60000110.2L165 L169 L193 P238L165-V167 WeakPolarHBondContact CB-O 3.42Å; L165-V167 PolarHBondContact O-N 2.75Å; V167-L169 PolarHBondContact O-N 2.66Å; V167-L193 HydrophobicContact CG2-CD1 4.06Å; V167-L193 HydrophobicContact CG2-CD2 4.25Å; V167-P238 HydrophobicContact CG1-CB 3.85Å; V167-P238 HydrophobicContact CG1-CG 4.21Å
168P93.8Very high93.5Very high107 Ų10757.3 Ų57.370%0.69534%0.34SS*.  trans-59.2129.1176.7-2434.1000112.3T170P168-T170 PolarHBondContact O-N 3.21Å
169L93.4Very high93.6Very high37 Ų3755.3 Ų55.319%0.19432%0.324CS..  trans-73.5112.1174.7-177.260.4000110L146 C161 L165 V167 I171 F186 V189L146-L169 HydrophobicContact CD1-CD2 3.57Å; C161-L169 HydrophobicContact CB-CD2 3.72Å; L165-L169 HydrophobicContact CD1-CB 4.17Å; L165-L169 HydrophobicContact CD1-CD1 3.9Å; L165-L169 HydrophobicContact CD1-CG 4.5Å; V167-L169 PolarHBondContact O-N 2.66Å; L169-I171 HydrophobicContact CD1-CD1 3.82Å; L169-I171 HydrophobicContact CD1-CG1 4.28Å; L169-I171 HydrophobicContact CD2-CG1 4.35Å; L169-I171 HydrophobicContact CG-CD1 4.13Å; L169-I171 HydrophobicContact CG-CG1 4.03Å; L169-F186 HydrophobicContact CD1-CD2 4.01Å; L169-V189 HydrophobicContact CD1-CG2 4.34Å
170T90.5Very high93.6Very high117 Ų11759 Ų5972%0.71834%0.34SS*.  trans-109.6108176.819.10000109.6P168P168-T170 PolarHBondContact O-N 3.21Å
171I91.9Very high93.6Very high39 Ų3959.2 Ų59.220%0.234%0.338CS..  trans-104.6128.6176.9-59.3-60.1000108.9C161 L169 L182 Q185C161-I171 HydrophobicContact CB-CG1 4.27Å; L169-I171 HydrophobicContact CD1-CD1 3.82Å; L169-I171 HydrophobicContact CD1-CG1 4.28Å; L169-I171 HydrophobicContact CD2-CG1 4.35Å; L169-I171 HydrophobicContact CG-CD1 4.13Å; L169-I171 HydrophobicContact CG-CG1 4.03Å; I171-L182 HydrophobicContact CG2-CD1 4.46Å; I171-L182 HydrophobicContact CG2-CG 4.17Å; I171-Q185 HydrophobicContact CD1-CB 4.09Å
172T93.6Very high93.6Very high102 Ų10257.7 Ų57.763%0.62633%0.328SS*.  trans-83.6120.6170.1-55.10000108.4Q185T172-Q185 PolarHBondContact O-NE2 3.31Å; T172-Q185 PolarHBondContact O-OE1 2.88Å
173W94.6Very high93.6Very high37 Ų3755.1 Ų55.114%0.1431%0.31CS..  trans-127.6134.3-178.1-172.4-90.1000111.5H154 P155 A158 P159 S177 L182H154-W173 AromaticContact CE1-CH2 3.72Å; H154-W173 AromaticContact CE1-CZ2 3.64Å; H154-W173 AromaticContact ND1-CZ2 3.8Å; P155-W173 HydrophobicContact CB-CZ2 3.86Å; P155-W173 PolarHBondContact O-NE1 3.31Å; A158-W173 HydrophobicContact CB-CB 3.75Å; A158-W173 HydrophobicContact CB-CG 3.68Å; P159-W173 HydrophobicContact CG-CD2 4.42Å; P159-W173 HydrophobicContact CG-CE3 4.29Å; P159-W173 HydrophobicContact CG-CZ3 4.37Å; W173-S177 WeakPolarHBondContact CH2-O 3.36Å; W173-L182 HydrophobicContact CE3-CB 4.49Å; W173-L182 HydrophobicContact CE3-CD1 4.06Å; W173-L182 HydrophobicContact CZ3-CB 4.03Å; W173-L182 HydrophobicContact CZ3-CD1 3.79Å
174T92.8Very high93.5Very high60 Ų6056.6 Ų56.637%0.36832%0.318SS..  trans-126.3161.3171.667.20000109.6Q176 S177T174-Q176 PolarHBondContact O-N 3.42Å; T174-Q176 PolarHBondContact OG1-OE1 2.88Å; T174-S177 PolarHBondContact N-OG 2.97Å; T174-S177 WeakPolarHBondContact O-CB 3.36Å; T174-S177 PolarHBondContact O-N 3.49Å; T174-S177 PolarHBondContact O-OG 2.6Å; T174-S177 PolarHBondContact OG1-N 2.89Å; T174-S177 PolarHBondContact OG1-OG 2.96Å
175P88.6Confident93.5Very high72 Ų7253.7 Ų53.747%0.46830%0.301SS..THydrogen-bonded Turntrans-59.3-13.3176.1-27.136.9000115.3
176Q88.8Confident93.6Very high154 Ų15452.9 Ų52.972%0.7230%0.297SS*.THydrogen-bonded Turntrans-97.8-0.7175.4-59.377.519.300112.6T174T174-Q176 PolarHBondContact O-N 3.42Å; T174-Q176 PolarHBondContact OG1-OE1 2.88Å
177S91.9Very high93.6Very high10 Ų1054.2 Ų54.27%0.0730%0.302CS..  trans-73.9152.9179.7-60.80000111.7W173 T174W173-S177 WeakPolarHBondContact CH2-O 3.36Å; T174-S177 PolarHBondContact N-OG 2.97Å; T174-S177 WeakPolarHBondContact O-CB 3.36Å; T174-S177 PolarHBondContact O-N 3.49Å; T174-S177 PolarHBondContact O-OG 2.6Å; T174-S177 PolarHBondContact OG1-N 2.89Å; T174-S177 PolarHBondContact OG1-OG 2.96Å
178S91.9Very high93.7Very high26 Ų2658.7 Ų58.718%0.18233%0.325CS..  trans-122.4164.9177.870.10000111.7E180 Q181 L182S178-E180 PolarHBondContact O-N 3.22Å; S178-E180 PolarHBondContact OG-N 2.95Å; S178-Q181 PolarHBondContact O-N 3.44Å; S178-Q181 PolarHBondContact OG-N 3.34Å; S178-L182 PolarHBondContact O-N 2.9Å; S178-L182 VanDerWaalsContact O-N 3.1Å
179L93.6Very high93.8Very high0 Ų055 Ų550%030%0.3CS..Hα-helixtrans-58-30.4172-68.9176.4000113.1L110 E113 M114 V117 L132 V148 L150 L182 H183L110-L179 HydrophobicContact CD1-CD1 3.87Å; E113-L179 HydrophobicContact CB-CB 4.3Å; E113-L179 HydrophobicContact CB-CD1 3.97Å; E113-L179 HydrophobicContact CB-CG 4.23Å; E113-L179 WeakPolarHBondContact OE2-CG 3.36Å; M114-L179 HydrophobicContact CG-CD1 4.27Å; V117-L179 HydrophobicContact CG2-CB 3.63Å; L132-L179 HydrophobicContact CD1-CD1 3.58Å; L132-L179 HydrophobicContact CD1-CD2 4.05Å; L132-L179 HydrophobicContact CD1-CG 4.5Å; V148-L179 HydrophobicContact CG1-CD2 4.19Å; L150-L179 HydrophobicContact CD2-CD2 4.33Å; L179-L182 PolarHBondContact O-N 3.34Å; L179-H183 WeakPolarHBondContact O-CB 3.49Å; L179-H183 PolarHBondContact O-N 3.28Å
180E94.4Very high94Very high89 Ų8953.2 Ų53.242%0.41629%0.291SS..Hα-helixtrans-66.1-45176.6-179-170.7-146.500111.7T116 V117 S178 L182 H183 S184T116-E180 HydrophobicContact CG2-CB 4.34Å; T116-E180 HydrophobicContact CG2-CG 4.49Å; V117-E180 HydrophobicContact CG2-CB 4.13Å; S178-E180 PolarHBondContact O-N 3.22Å; S178-E180 PolarHBondContact OG-N 2.95Å; E180-L182 VanDerWaalsContact C-N 3.31Å; E180-L182 PolarHBondContact O-N 2.88Å; E180-H183 PolarHBondContact O-N 3.41Å; E180-S184 WeakPolarHBondContact O-CB 3.25Å; E180-S184 PolarHBondContact O-N 3.26Å; E180-S184 PolarHBondContact O-OG 2.96Å
181Q94.1Very high94.3Very high93 Ų9351.7 Ų51.744%0.43528%0.275SS..Hα-helixtrans-66.6-36.9177.3-69174.5-14.700111.6S178 S184 Q185S178-Q181 PolarHBondContact O-N 3.44Å; S178-Q181 PolarHBondContact OG-N 3.34Å; Q181-S184 PolarHBondContact O-N 3.1Å; Q181-Q185 WeakPolarHBondContact O-CG 3.48Å; Q181-Q185 PolarHBondContact O-N 2.85Å
182L95.5Very high94.4Very high0 Ų054 Ų540%030%0.295CS..Hα-helixtrans-63.6-45.5173.5179159.7000111.3L146 V148 P159 I171 W173 S178 L179 E180 S184 Q185 F186L146-L182 HydrophobicContact CD2-CD2 3.35Å; L146-L182 HydrophobicContact CG-CD2 4.45Å; V148-L182 HydrophobicContact CG1-CD1 4.19Å; V148-L182 HydrophobicContact CG2-CD2 3.81Å; P159-L182 HydrophobicContact CG-CD1 3.67Å; I171-L182 HydrophobicContact CG2-CD1 4.46Å; I171-L182 HydrophobicContact CG2-CG 4.17Å; W173-L182 HydrophobicContact CE3-CB 4.49Å; W173-L182 HydrophobicContact CE3-CD1 4.06Å; W173-L182 HydrophobicContact CZ3-CB 4.03Å; W173-L182 HydrophobicContact CZ3-CD1 3.79Å; S178-L182 PolarHBondContact O-N 2.9Å; S178-L182 VanDerWaalsContact O-N 3.1Å; L179-L182 PolarHBondContact O-N 3.34Å; E180-L182 VanDerWaalsContact C-N 3.31Å; E180-L182 PolarHBondContact O-N 2.88Å; L182-S184 VanDerWaalsContact C-N 3.34Å; L182-Q185 PolarHBondContact O-N 2.93Å; L182-F186 PolarHBondContact O-N 3.28Å
183H96.1Very high94.6Very high6 Ų649.4 Ų49.43%0.02827%0.266CS..Hα-helixtrans-63.6-40.6176.5-173.7-92.8000111.7R135 L179 E180 F186 L187R135-H183 PolarHBondContact O-NE2 3.08Å; L179-H183 WeakPolarHBondContact O-CB 3.49Å; L179-H183 PolarHBondContact O-N 3.28Å; E180-H183 PolarHBondContact O-N 3.41Å; H183-F186 WeakPolarHBondContact O-CB 3.41Å; H183-F186 PolarHBondContact O-N 2.86Å; H183-L187 WeakPolarHBondContact O-CG 3.36Å; H183-L187 PolarHBondContact O-N 2.85Å
184S95.6Very high94.7Very high57 Ų5748.4 Ų48.440%0.39927%0.265SS..Hα-helixtrans-63.6-41.7176.1-580000112.5E180 Q181 L182 F186 L187 L188E180-S184 WeakPolarHBondContact O-CB 3.25Å; E180-S184 PolarHBondContact O-N 3.26Å; E180-S184 PolarHBondContact O-OG 2.96Å; Q181-S184 PolarHBondContact O-N 3.1Å; L182-S184 VanDerWaalsContact C-N 3.34Å; S184-F186 VanDerWaalsContact C-N 3.31Å; S184-F186 PolarHBondContact O-N 3.08Å; S184-L187 PolarHBondContact O-N 2.98Å; S184-L188 WeakPolarHBondContact O-CG 3.37Å; S184-L188 PolarHBondContact O-N 3.3Å; S184-L188 VanDerWaalsContact O-N 3.15Å
185Q96.6Very high94.9Very high48 Ų4849.1 Ų49.122%0.22427%0.266CS..Hα-helixtrans-62-40.4172.7-76.4177.972.900111.7I171 T172 Q181 L182 L188 V189I171-Q185 HydrophobicContact CD1-CB 4.09Å; T172-Q185 PolarHBondContact O-NE2 3.31Å; T172-Q185 PolarHBondContact O-OE1 2.88Å; Q181-Q185 WeakPolarHBondContact O-CG 3.48Å; Q181-Q185 PolarHBondContact O-N 2.85Å; L182-Q185 PolarHBondContact O-N 2.93Å; Q185-L188 PolarHBondContact O-N 3.37Å; Q185-V189 WeakPolarHBondContact O-CG2 3.33Å; Q185-V189 PolarHBondContact O-N 2.77Å; Q185-V189 VanDerWaalsContact O-N 3.16Å
186F97.3Very high95.3Very high0 Ų045.8 Ų45.80%024%0.244CC..Hα-helixtrans-62.2-44.4175.8-179.7-121.1000111.8A136 H144 L146 A163 L165 L169 L182 H183 S184 L188 V189 L190A136-F186 HydrophobicContact CB-CD1 3.75Å; A136-F186 HydrophobicContact CB-CE1 3.54Å; H144-F186 HydrophobicContact CB-CE1 4.23Å; H144-F186 HydrophobicContact CB-CZ 4.14Å; L146-F186 HydrophobicContact CB-CD1 3.8Å; L146-F186 HydrophobicContact CB-CE1 3.65Å; L146-F186 HydrophobicContact CB-CE2 4.46Å; L146-F186 HydrophobicContact CB-CG 4.27Å; L146-F186 HydrophobicContact CB-CZ 4.01Å; L146-F186 HydrophobicContact CD1-CD2 4.09Å; L146-F186 HydrophobicContact CD1-CE2 4.24Å; L146-F186 HydrophobicContact CD1-CG 4.31Å; L146-F186 HydrophobicContact CD2-CB 3.79Å; L146-F186 HydrophobicContact CD2-CD1 3.91Å; L146-F186 HydrophobicContact CD2-CD2 4.39Å; L146-F186 HydrophobicContact CD2-CG 3.79Å; L146-F186 HydrophobicContact CG-CD1 4.35Å; L146-F186 HydrophobicContact CG-CG 4.36Å; A163-F186 HydrophobicContact CB-CE2 3.59Å; A163-F186 HydrophobicContact CB-CZ 3.81Å; L165-F186 HydrophobicContact CD1-CE2 4.06Å; L165-F186 HydrophobicContact CD2-CE2 4.36Å; L165-F186 HydrophobicContact CG-CE2 4.47Å; L169-F186 HydrophobicContact CD1-CD2 4.01Å; L182-F186 PolarHBondContact O-N 3.28Å; H183-F186 WeakPolarHBondContact O-CB 3.41Å; H183-F186 PolarHBondContact O-N 2.86Å; S184-F186 VanDerWaalsContact C-N 3.31Å; S184-F186 PolarHBondContact O-N 3.08Å; F186-L188 VanDerWaalsContact C-N 3.3Å; F186-L188 PolarHBondContact O-N 2.8Å; F186-V189 WeakPolarHBondContact O-CB 3.44Å; F186-V189 PolarHBondContact O-N 2.85Å; F186-V189 VanDerWaalsContact O-N 3.08Å; F186-L190 HydrophobicContact CD1-CD1 4.19Å; F186-L190 HydrophobicContact CD1-CG 4.48Å; F186-L190 HydrophobicContact CE1-CD1 3.85Å; F186-L190 HydrophobicContact CE1-CD2 4.28Å; F186-L190 HydrophobicContact CE1-CG 4.25Å; F186-L190 HydrophobicContact CE2-CD2 3.92Å; F186-L190 HydrophobicContact CE2-CG 4.39Å; F186-L190 HydrophobicContact CZ-CD1 4.19Å; F186-L190 HydrophobicContact CZ-CD2 3.77Å; F186-L190 HydrophobicContact CZ-CG 4.21Å; F186-L190 WeakPolarHBondContact O-CG 3.44Å; F186-L190 PolarHBondContact O-N 2.96Å
187L96.5Very high95.8Very high52 Ų5238.5 Ų38.527%0.27221%0.21SC..Hα-helixtrans-57.3-40.9175-70.2172.1000112.3A136 H183 S184 V189 L190 E191A136-L187 HydrophobicContact CB-CD2 3.84Å; H183-L187 WeakPolarHBondContact O-CG 3.36Å; H183-L187 PolarHBondContact O-N 2.85Å; S184-L187 PolarHBondContact O-N 2.98Å; L187-V189 VanDerWaalsContact C-N 3.32Å; L187-V189 PolarHBondContact O-N 2.93Å; L187-L190 HydrophobicContact CD2-CD1 4.36Å; L187-L190 WeakPolarHBondContact O-CB 3.35Å; L187-L190 PolarHBondContact O-N 2.68Å; L187-E191 WeakPolarHBondContact O-CG 3.19Å; L187-E191 PolarHBondContact O-N 2.78Å
188L96.2Very high96Very high127 Ų12741 Ų4167%0.66522%0.223SC*.Hα-helixtrans-62.9-37.9176-67.5172.6000112.5S184 Q185 F186 E191 S192S184-L188 WeakPolarHBondContact O-CG 3.37Å; S184-L188 PolarHBondContact O-N 3.3Å; S184-L188 VanDerWaalsContact O-N 3.15Å; Q185-L188 PolarHBondContact O-N 3.37Å; F186-L188 VanDerWaalsContact C-N 3.3Å; F186-L188 PolarHBondContact O-N 2.8Å; L188-E191 PolarHBondContact O-N 2.87Å; L188-S192 PolarHBondContact O-N 3.17Å; L188-S192 VanDerWaalsContact O-N 3.14Å
189V96.5Very high96.3Very high29 Ų2940.2 Ų40.218%0.17622%0.217CC..Hα-helixtrans-64-43.1173.81750000110.5L165 L169 Q185 F186 L187 E191 S192 L193L165-V189 HydrophobicContact CD1-CG1 3.86Å; L169-V189 HydrophobicContact CD1-CG2 4.34Å; Q185-V189 WeakPolarHBondContact O-CG2 3.33Å; Q185-V189 PolarHBondContact O-N 2.77Å; Q185-V189 VanDerWaalsContact O-N 3.16Å; F186-V189 WeakPolarHBondContact O-CB 3.44Å; F186-V189 PolarHBondContact O-N 2.85Å; F186-V189 VanDerWaalsContact O-N 3.08Å; L187-V189 VanDerWaalsContact C-N 3.32Å; L187-V189 PolarHBondContact O-N 2.93Å; V189-E191 PolarHBondContact O-N 2.81Å; V189-S192 PolarHBondContact O-N 3.02Å; V189-S192 PolarHBondContact O-OG 3.17Å; V189-L193 HydrophobicContact CG1-CD1 4.11Å; V189-L193 PolarHBondContact O-N 2.87Å
190L96.8Very high96.5Very high0 Ų040.3 Ų40.30%022%0.217CC..Hα-helixtrans-60.5-46.2177.3-60.8-177.3000111.4A136 D138 H144 L165 F186 L187 S192 L193 T194 W197A136-L190 HydrophobicContact CB-CD1 3.6Å; D138-L190 HydrophobicContact CB-CB 4.31Å; H144-L190 HydrophobicContact CB-CD1 3.83Å; H144-L190 HydrophobicContact CB-CD2 4.05Å; L165-L190 HydrophobicContact CD2-CD2 3.88Å; F186-L190 HydrophobicContact CD1-CD1 4.19Å; F186-L190 HydrophobicContact CD1-CG 4.48Å; F186-L190 HydrophobicContact CE1-CD1 3.85Å; F186-L190 HydrophobicContact CE1-CD2 4.28Å; F186-L190 HydrophobicContact CE1-CG 4.25Å; F186-L190 HydrophobicContact CE2-CD2 3.92Å; F186-L190 HydrophobicContact CE2-CG 4.39Å; F186-L190 HydrophobicContact CZ-CD1 4.19Å; F186-L190 HydrophobicContact CZ-CD2 3.77Å; F186-L190 HydrophobicContact CZ-CG 4.21Å; F186-L190 WeakPolarHBondContact O-CG 3.44Å; F186-L190 PolarHBondContact O-N 2.96Å; L187-L190 HydrophobicContact CD2-CD1 4.36Å; L187-L190 WeakPolarHBondContact O-CB 3.35Å; L187-L190 PolarHBondContact O-N 2.68Å; L190-S192 VanDerWaalsContact C-N 3.25Å; L190-S192 PolarHBondContact O-N 2.97Å; L190-L193 CarbonylContact O-C 3.53Å; L190-L193 PolarHBondContact O-N 3.48Å; L190-T194 PolarHBondContact O-N 3.4Å; L190-T194 PolarHBondContact O-OG1 2.73Å; L190-W197 HydrophobicContact CB-CZ3 4.26Å; L190-W197 HydrophobicContact CD2-CH2 3.56Å; L190-W197 HydrophobicContact CD2-CZ3 4Å; L190-W197 WeakPolarHBondContact O-CZ3 3.25Å
191E96.3Very high96.6Very high85 Ų8538.8 Ų38.840%0.39721%0.212SC..Hα-helixtrans-61.2-34.1178.1-69.9-54.314000112.6S139 L187 L188 V189 L193 T194S139-E191 WeakPolarHBondContact CB-OE1 3.37Å; S139-E191 VanDerWaalsContact CB-OE2 3.29Å; S139-E191 WeakPolarHBondContact CB-OE2 3.31Å; S139-E191 PolarHBondContact N-OE1 3.48Å; S139-E191 PolarHBondContact OG-OE1 2.82Å; S139-E191 PolarHBondContact OG-OE2 3Å; L187-E191 WeakPolarHBondContact O-CG 3.19Å; L187-E191 PolarHBondContact O-N 2.78Å; L188-E191 PolarHBondContact O-N 2.87Å; V189-E191 PolarHBondContact O-N 2.81Å; E191-L193 PolarHBondContact O-N 2.91Å; E191-T194 PolarHBondContact O-N 2.81Å; E191-T194 PolarHBondContact O-OG1 3.41Å
192S95.8Very high96.8Very high87 Ų8736.1 Ų36.161%0.60820%0.2SC*.Hα-helixtrans-67.2-18174.978.10000114.3L188 V189 L190L188-S192 PolarHBondContact O-N 3.17Å; L188-S192 VanDerWaalsContact O-N 3.14Å; V189-S192 PolarHBondContact O-N 3.02Å; V189-S192 PolarHBondContact O-OG 3.17Å; L190-S192 VanDerWaalsContact C-N 3.25Å; L190-S192 PolarHBondContact O-N 2.97Å
193L97.5Very high96.8Very high5 Ų536.2 Ų36.23%0.02620%0.2CC..THydrogen-bonded Turntrans-107.91.1-175.9-67.5169.9000112.9L165 P166 V167 V189 L190 E191 D195 F196 W197 P238L165-L193 HydrophobicContact CD2-CD1 4.03Å; P166-L193 HydrophobicContact CG-CD1 4.17Å; P166-L193 HydrophobicContact CG-CD2 3.94Å; V167-L193 HydrophobicContact CG2-CD1 4.06Å; V167-L193 HydrophobicContact CG2-CD2 4.25Å; V189-L193 HydrophobicContact CG1-CD1 4.11Å; V189-L193 PolarHBondContact O-N 2.87Å; L190-L193 CarbonylContact O-C 3.53Å; L190-L193 PolarHBondContact O-N 3.48Å; E191-L193 PolarHBondContact O-N 2.91Å; L193-D195 PolarHBondContact O-N 2.98Å; L193-F196 WeakPolarHBondContact O-CB 3.5Å; L193-F196 PolarHBondContact O-N 3.3Å; L193-W197 HydrophobicContact CB-CD2 4.33Å; L193-W197 HydrophobicContact CB-CE3 3.91Å; L193-W197 HydrophobicContact CB-CH2 3.59Å; L193-W197 HydrophobicContact CB-CZ2 4.05Å; L193-W197 HydrophobicContact CB-CZ3 3.53Å; L193-W197 HydrophobicContact CD1-CH2 3.68Å; L193-W197 HydrophobicContact CD1-CZ2 3.91Å; L193-W197 HydrophobicContact CD1-CZ3 4.45Å; L193-W197 HydrophobicContact CG-CH2 4.31Å; L193-W197 PolarHBondContact O-N 3.13Å; L193-W197 VanDerWaalsContact O-N 3.09Å; L193-P238 HydrophobicContact CD2-CB 3.99Å
194T96.3Very high96.8Very high17 Ų1738.1 Ų38.110%0.10421%0.21CC..Hα-helixtrans-53.2-52.8-179.4-61.50000111.7R142 L190 E191 F196 W197 D198R142-T194 PolarHBondContact NH2-O 3.12Å; L190-T194 PolarHBondContact O-N 3.4Å; L190-T194 PolarHBondContact O-OG1 2.73Å; E191-T194 PolarHBondContact O-N 2.81Å; E191-T194 PolarHBondContact O-OG1 3.41Å; T194-F196 PolarHBondContact O-N 2.87Å; T194-W197 PolarHBondContact O-N 3.5Å; T194-D198 PolarHBondContact O-N 3.11Å; T194-D198 VanDerWaalsContact O-OD1 3.13Å
195D96.5Very high96.7Very high75 Ų7538 Ų3840%0.40122%0.218SC..Hα-helixtrans-58.2-33178.8-93.1-15.9000112.6L193 V199 P241 K242L193-D195 PolarHBondContact O-N 2.98Å; D195-V199 WeakPolarHBondContact O-CG2 3.27Å; D195-V199 PolarHBondContact O-N 2.79Å; D195-P241 HydrophobicContact CB-CG 3.78Å; D195-K242 IonicContact OD1-NZ 3.72Å; D195-K242 PolarHBondContact OD1-NZ 3.29Å; D195-K242 IonicContact OD2-NZ 2.83Å; D195-K242 PolarHBondContact OD2-NZ 3.01Å
196F98Very high96.6Very high1 Ų141 Ų410%0.00423%0.231CC..Hα-helixtrans-70.1-46.8178.7162.6-98000111.6P166 L193 T194 D198 V199 L200 T220 V236 P238 P241P166-F196 HydrophobicContact CB-CE1 3.74Å; P166-F196 HydrophobicContact CB-CZ 3.76Å; P166-F196 HydrophobicContact CG-CD1 3.9Å; P166-F196 HydrophobicContact CG-CE1 3.51Å; P166-F196 HydrophobicContact CG-CZ 4.02Å; L193-F196 WeakPolarHBondContact O-CB 3.5Å; L193-F196 PolarHBondContact O-N 3.3Å; T194-F196 PolarHBondContact O-N 2.87Å; F196-D198 VanDerWaalsContact C-N 3.32Å; F196-V199 PolarHBondContact O-N 3.12Å; F196-L200 HydrophobicContact CD1-CD1 4.38Å; F196-L200 HydrophobicContact CD2-CD1 4.45Å; F196-L200 HydrophobicContact CE1-CD1 3.63Å; F196-L200 HydrophobicContact CE2-CD1 3.75Å; F196-L200 HydrophobicContact CE2-CG 4.33Å; F196-L200 HydrophobicContact CZ-CD1 3.29Å; F196-L200 HydrophobicContact CZ-CG 4.31Å; F196-L200 PolarHBondContact O-N 3.27Å; F196-T220 HydrophobicContact CE2-CG2 4.28Å; F196-T220 HydrophobicContact CZ-CG2 4.02Å; F196-V236 HydrophobicContact CD2-CB 4.42Å; F196-V236 HydrophobicContact CD2-CG1 3.88Å; F196-V236 HydrophobicContact CE2-CB 4.15Å; F196-V236 HydrophobicContact CE2-CG1 4.12Å; F196-P238 VanDerWaalsContact CD2-CA 3.49Å; F196-P238 HydrophobicContact CD2-CB 4.03Å; F196-P238 HydrophobicContact CD2-CG 4.24Å; F196-P238 HydrophobicContact CE2-CB 4.22Å; F196-P238 HydrophobicContact CE2-CG 3.95Å; F196-P238 HydrophobicContact CG-CB 4.2Å; F196-P238 HydrophobicContact CZ-CG 4.27Å; F196-P241 HydrophobicContact CB-CB 3.92Å; F196-P241 HydrophobicContact CB-CG 4.13Å; F196-P241 HydrophobicContact CD2-CB 4.37Å
197W98.1Very high96.5Very high1 Ų141.1 Ų41.10%0.00423%0.231CC..Hα-helixtrans-70.3-30.5177.3-68.5-46.3000112.3R142 H144 L165 L190 L193 T194 V199 L200 D201 R217R142-W197 VanDerWaalsContact CZ-CB 3.45Å; H144-W197 AromaticContact CE1-CD2 3.97Å; H144-W197 AromaticContact CE1-CE2 3.94Å; H144-W197 AromaticContact CE1-CE3 3.68Å; H144-W197 AromaticContact CE1-CH2 3.39Å; H144-W197 WeakPolarHBondContact CE1-CH2 3.44Å; H144-W197 AromaticContact CE1-CZ2 3.67Å; H144-W197 AromaticContact CE1-CZ3 3.38Å; H144-W197 WeakPolarHBondContact CE1-CZ3 3.49Å; H144-W197 AromaticContact ND1-CH2 3.94Å; H144-W197 AromaticContact NE2-CE3 3.94Å; H144-W197 AromaticContact NE2-CZ3 3.65Å; L165-W197 HydrophobicContact CD2-CH2 3.81Å; L165-W197 HydrophobicContact CD2-CZ2 3.8Å; L190-W197 HydrophobicContact CB-CZ3 4.26Å; L190-W197 HydrophobicContact CD2-CH2 3.56Å; L190-W197 HydrophobicContact CD2-CZ3 4Å; L190-W197 WeakPolarHBondContact O-CZ3 3.25Å; L193-W197 HydrophobicContact CB-CD2 4.33Å; L193-W197 HydrophobicContact CB-CE3 3.91Å; L193-W197 HydrophobicContact CB-CH2 3.59Å; L193-W197 HydrophobicContact CB-CZ2 4.05Å; L193-W197 HydrophobicContact CB-CZ3 3.53Å; L193-W197 HydrophobicContact CD1-CH2 3.68Å; L193-W197 HydrophobicContact CD1-CZ2 3.91Å; L193-W197 HydrophobicContact CD1-CZ3 4.45Å; L193-W197 HydrophobicContact CG-CH2 4.31Å; L193-W197 PolarHBondContact O-N 3.13Å; L193-W197 VanDerWaalsContact O-N 3.09Å; T194-W197 PolarHBondContact O-N 3.5Å; W197-V199 VanDerWaalsContact C-N 3.32Å; W197-V199 PolarHBondContact O-N 2.95Å; W197-L200 PolarHBondContact O-N 3.36Å; W197-D201 WeakPolarHBondContact O-CB 3.46Å; W197-D201 PolarHBondContact O-N 3.47Å; W197-R217 HydrophobicContact CZ2-CB 4.36Å; W197-R217 PolarHBondContact NE1-O 2.79Å
198D97.4Very high96.2Very high64 Ų6440.5 Ų40.534%0.34223%0.225SC..Hα-helixtrans-60.7-43.3175.1-67.8-5.6000111.3S140 R142 T194 F196 E202S140-D198 PolarHBondContact OG-OD1 2.8Å; R142-D198 IonicContact CZ-OD1 3.72Å; R142-D198 VanDerWaalsContact NH1-N 3.16Å; R142-D198 IonicContact NH1-OD1 3.82Å; R142-D198 PolarHBondContact NH1-OD1 2.81Å; R142-D198 IonicContact NH2-OD1 2.9Å; R142-D198 PolarHBondContact NH2-OD1 3.46Å; T194-D198 PolarHBondContact O-N 3.11Å; T194-D198 VanDerWaalsContact O-OD1 3.13Å; F196-D198 VanDerWaalsContact C-N 3.32Å; D198-E202 PolarHBondContact O-N 3Å; D198-E202 VanDerWaalsContact O-N 3.08Å
199V97.9Very high96.1Very high9 Ų935.9 Ų35.96%0.05520%0.202CC..Hα-helixtrans-60.1-47.3174.5164.90000111.2D195 F196 W197 E202 I203 V236 P241 V276D195-V199 WeakPolarHBondContact O-CG2 3.27Å; D195-V199 PolarHBondContact O-N 2.79Å; F196-V199 PolarHBondContact O-N 3.12Å; W197-V199 VanDerWaalsContact C-N 3.32Å; W197-V199 PolarHBondContact O-N 2.95Å; V199-E202 PolarHBondContact O-N 2.8Å; V199-I203 HydrophobicContact CG1-CD1 4.1Å; V199-I203 WeakPolarHBondContact O-CG1 3.3Å; V199-I203 PolarHBondContact O-N 3.17Å; V199-I203 VanDerWaalsContact O-N 3.15Å; V199-V236 HydrophobicContact CG1-CG1 4.3Å; V199-V236 HydrophobicContact CG1-CG2 4.27Å; V199-P241 HydrophobicContact CG2-CB 4.31Å; V199-V276 HydrophobicContact CB-CG2 4.43Å; V199-V276 HydrophobicContact CG1-CB 3.82Å; V199-V276 HydrophobicContact CG1-CG1 4.28Å; V199-V276 HydrophobicContact CG1-CG2 3.62Å; V199-V276 HydrophobicContact CG2-CG2 3.86Å
200L97.5Very high95.8Very high2 Ų235.1 Ų35.11%0.0120%0.197CC..Hα-helixtrans-70.5-38.7-178.4-68-177.8000112.6F196 W197 E202 I203 D204 D219 R222 V236F196-L200 HydrophobicContact CD1-CD1 4.38Å; F196-L200 HydrophobicContact CD2-CD1 4.45Å; F196-L200 HydrophobicContact CE1-CD1 3.63Å; F196-L200 HydrophobicContact CE2-CD1 3.75Å; F196-L200 HydrophobicContact CE2-CG 4.33Å; F196-L200 HydrophobicContact CZ-CD1 3.29Å; F196-L200 HydrophobicContact CZ-CG 4.31Å; F196-L200 PolarHBondContact O-N 3.27Å; W197-L200 PolarHBondContact O-N 3.36Å; L200-E202 VanDerWaalsContact C-N 3.28Å; L200-E202 PolarHBondContact O-N 2.86Å; L200-I203 PolarHBondContact O-N 3.45Å; L200-D204 VanDerWaalsContact O-CB 3.27Å; L200-D204 WeakPolarHBondContact O-CB 3.22Å; L200-D204 PolarHBondContact O-N 2.84Å; L200-D219 WeakPolarHBondContact CD1-O 3.31Å; L200-R222 HydrophobicContact CD2-CG 4.06Å; L200-V236 HydrophobicContact CD2-CG2 4.12Å
201D96.9Very high95.5Very high56 Ų5636.8 Ų36.830%0.29921%0.205SC..Hα-helixtrans-62.7-37.1176.4-71.6-32.3000111R142 W197 G205 R217R142-D201 VanDerWaalsContact CD-OD2 3.27Å; R142-D201 WeakPolarHBondContact CD-OD2 3.28Å; R142-D201 IonicContact CZ-OD2 2.75Å; R142-D201 IonicContact NE-OD2 3.74Å; R142-D201 IonicContact NH1-OD2 2.83Å; R142-D201 PolarHBondContact NH1-OD2 3.42Å; W197-D201 WeakPolarHBondContact O-CB 3.46Å; W197-D201 PolarHBondContact O-N 3.47Å; D201-G205 PolarHBondContact O-N 3Å; D201-R217 IonicContact OD1-CZ 2.86Å; D201-R217 VanDerWaalsContact OD1-CZ 3.3Å; D201-R217 IonicContact OD1-NH1 2.68Å; D201-R217 PolarHBondContact OD1-NH1 3.48Å; D201-R217 IonicContact OD1-NH2 3.72Å; D201-R217 PolarHBondContact OD1-NH2 3.23Å; D201-R217 IonicContact OD2-NH1 2.92Å; D201-R217 PolarHBondContact OD2-NH1 2.89Å; D201-R217 IonicContact OD2-NH2 3.83Å
202E96.9Very high95.2Very high38 Ų3834.3 Ų34.318%0.17820%0.196CC..Hα-helixtrans-64.8-47.2173.4-175.8-178.6-147.200111.9D198 V199 L200 G205 K206 S275 L277D198-E202 PolarHBondContact O-N 3Å; D198-E202 VanDerWaalsContact O-N 3.08Å; V199-E202 PolarHBondContact O-N 2.8Å; L200-E202 VanDerWaalsContact C-N 3.28Å; L200-E202 PolarHBondContact O-N 2.86Å; E202-G205 PolarHBondContact O-N 3.41Å; E202-K206 HydrophobicContact CG-CD 3.73Å; E202-K206 HydrophobicContact CG-CG 4.4Å; E202-K206 VanDerWaalsContact O-CB 3.31Å; E202-K206 WeakPolarHBondContact O-CB 3.23Å; E202-K206 WeakPolarHBondContact O-CG 3.13Å; E202-K206 PolarHBondContact O-N 3.2Å; E202-K206 IonicContact OE1-NZ 3.22Å; E202-K206 PolarHBondContact OE1-NZ 3.03Å; E202-S275 WeakPolarHBondContact OE2-CB 3.49Å; E202-L277 HydrophobicContact CG-CB 4.48Å; E202-L277 HydrophobicContact CG-CD2 4.14Å
203I96.7Very high94.7Very high1 Ų134.8 Ų34.81%0.00519%0.189CC..Hα-helixtrans-60.7-49.5178-71.1170.2000110.2V199 L200 G205 K206 T207 V209 R222 I224 V276V199-I203 HydrophobicContact CG1-CD1 4.1Å; V199-I203 WeakPolarHBondContact O-CG1 3.3Å; V199-I203 PolarHBondContact O-N 3.17Å; V199-I203 VanDerWaalsContact O-N 3.15Å; L200-I203 PolarHBondContact O-N 3.45Å; I203-G205 VanDerWaalsContact C-N 3.28Å; I203-G205 PolarHBondContact O-N 2.87Å; I203-K206 PolarHBondContact O-N 2.85Å; I203-T207 WeakPolarHBondContact O-CB 3.43Å; I203-T207 PolarHBondContact O-N 3Å; I203-T207 PolarHBondContact O-OG1 2.92Å; I203-V209 HydrophobicContact CG2-CG2 4.24Å; I203-R222 HydrophobicContact CG2-CB 4.23Å; I203-R222 HydrophobicContact CG2-CG 4.12Å; I203-I224 HydrophobicContact CG2-CD1 3.56Å; I203-I224 HydrophobicContact CG2-CG1 4.07Å; I203-V276 HydrophobicContact CD1-CG1 4.35Å
204D95.3Very high94.3Very high46 Ų4643.2 Ų43.225%0.24623%0.225CC..Hα-helixtrans-63.4-34.6-178.5-69.4-19.2000111.5L200 R222L200-D204 VanDerWaalsContact O-CB 3.27Å; L200-D204 WeakPolarHBondContact O-CB 3.22Å; L200-D204 PolarHBondContact O-N 2.84Å; D204-R222 VanDerWaalsContact OD1-CD 3.31Å; D204-R222 WeakPolarHBondContact OD1-CD 3.43Å; D204-R222 IonicContact OD1-CZ 3.51Å; D204-R222 IonicContact OD1-NE 2.74Å; D204-R222 PolarHBondContact OD1-NE 3.39Å; D204-R222 IonicContact OD1-NH2 2.86Å; D204-R222 IonicContact OD2-CZ 2.68Å; D204-R222 IonicContact OD2-NE 3.86Å; D204-R222 PolarHBondContact OD2-NE 3.23Å; D204-R222 IonicContact OD2-NH2 3.48Å; D204-R222 PolarHBondContact OD2-NH2 3.26Å
205G93.8Very high94.2Very high55 Ų5545 Ų4557%0.56724%0.237SC*.Hα-helixtrans-81.7-29.3179.400000115.2D201 E202 I203D201-G205 PolarHBondContact O-N 3Å; E202-G205 PolarHBondContact O-N 3.41Å; I203-G205 VanDerWaalsContact C-N 3.28Å; I203-G205 PolarHBondContact O-N 2.87Å
206K94.6Very high94.1Very high112 Ų11243.2 Ų43.249%0.48723%0.231SC..Hα-helixtrans-109.9-10.6-171-64.4-177.3-174.3170.80114.7E202 I203 L277 S290E202-K206 HydrophobicContact CG-CD 3.73Å; E202-K206 HydrophobicContact CG-CG 4.4Å; E202-K206 VanDerWaalsContact O-CB 3.31Å; E202-K206 WeakPolarHBondContact O-CB 3.23Å; E202-K206 WeakPolarHBondContact O-CG 3.13Å; E202-K206 PolarHBondContact O-N 3.2Å; E202-K206 IonicContact OE1-NZ 3.22Å; E202-K206 PolarHBondContact OE1-NZ 3.03Å; I203-K206 PolarHBondContact O-N 2.85Å; K206-L277 HydrophobicContact CB-CD2 3.62Å; K206-L277 HydrophobicContact CD-CD2 3.87Å; K206-L277 HydrophobicContact CG-CD2 4.36Å; K206-S290 WeakPolarHBondContact O-CB 3.45Å
207T94.3Very high94Very high2 Ų246.5 Ų46.51%0.01224%0.243CC..SBendtrans-124.7168.5-175.175.60000112.7I203 V209 I224 L277 F288 P289I203-T207 WeakPolarHBondContact O-CB 3.43Å; I203-T207 PolarHBondContact O-N 3Å; I203-T207 PolarHBondContact O-OG1 2.92Å; T207-V209 PolarHBondContact O-N 3.34Å; T207-I224 HydrophobicContact CG2-CG2 4.19Å; T207-I224 WeakPolarHBondContact OG1-CG2 3.23Å; T207-L277 HydrophobicContact CG2-CD1 3.45Å; T207-L277 VanDerWaalsContact CG2-CD1 3.45Å; T207-L277 HydrophobicContact CG2-CD2 3.94Å; T207-L277 HydrophobicContact CG2-CG 4.36Å; T207-F288 HydrophobicContact CG2-CB 4.14Å; T207-F288 HydrophobicContact CG2-CD1 4.14Å; T207-F288 HydrophobicContact CG2-CG 4.21Å; T207-P289 CarbonylContact C-O 3.6Å; T207-P289 WeakPolarHBondContact CA-O 3.41Å
208W91.6Very high93.9Very high39 Ų3948.5 Ų48.515%0.14826%0.257CS..  trans-90.992.6172.1-165-102.8000111.6L210 I224 A225 P289 P291 K296 F299W208-L210 PolarHBondContact O-N 3.17Å; W208-I224 WeakPolarHBondContact O-CA 3.46Å; W208-A225 HydrophobicContact CB-CB 4.17Å; W208-A225 HydrophobicContact CG-CB 4.42Å; W208-A225 PolarHBondContact O-N 3.09Å; W208-P289 PolarHBondContact N-O 3.44Å; W208-P289 VanDerWaalsContact N-O 3.12Å; W208-P291 HydrophobicContact CE3-CB 4.27Å; W208-P291 HydrophobicContact CE3-CG 3.9Å; W208-P291 HydrophobicContact CZ3-CB 4.1Å; W208-P291 HydrophobicContact CZ3-CG 4.06Å; W208-K296 HydrophobicContact CH2-CB 3.53Å; W208-K296 HydrophobicContact CH2-CD 3.8Å; W208-K296 HydrophobicContact CH2-CG 3.84Å; W208-K296 HydrophobicContact CZ2-CB 3.42Å; W208-K296 VanDerWaalsContact CZ2-CB 3.42Å; W208-K296 HydrophobicContact CZ2-CD 3.56Å; W208-K296 HydrophobicContact CZ2-CG 3.34Å; W208-F299 HydrophobicContact CB-CD2 4.3Å; W208-F299 HydrophobicContact CB-CE2 4.44Å; W208-F299 AromaticContact CD1-CD2 3.41Å; W208-F299 VanDerWaalsContact CD1-CD2 3.41Å; W208-F299 AromaticContact CD1-CG 3.78Å; W208-F299 HydrophobicContact CD2-CD2 4.25Å; W208-F299 AromaticContact CG-CD2 3.7Å; W208-F299 HydrophobicContact CG-CD2 3.7Å; W208-F299 HydrophobicContact CG-CE2 4.23Å; W208-F299 HydrophobicContact CG-CG 4.44Å; W208-F299 AromaticContact NE1-CD2 3.84Å
209V93Very high93.9Very high29 Ų2948 Ų4818%0.17625%0.254CS..EExtended strand (participates in β ladder)trans-78.8118.8177.1179.60000110.5I203 T207 R223I203-V209 HydrophobicContact CG2-CG2 4.24Å; T207-V209 PolarHBondContact O-N 3.34Å; V209-R223 CarbonylContact C-O 3.56Å
210L89.9Confident93.9Very high14 Ų1449 Ų497%0.07326%0.261CS..EExtended strand (participates in β ladder)trans-84.4-42176-58.5178.1000111.7W208 R223 A225 F299 I315W208-L210 PolarHBondContact O-N 3.17Å; L210-R223 HydrophobicContact CB-CB 4.46Å; L210-R223 HydrophobicContact CB-CG 4.35Å; L210-R223 WeakPolarHBondContact CB-O 3.29Å; L210-R223 HydrophobicContact CD1-CG 4.37Å; L210-R223 PolarHBondContact N-O 2.83Å; L210-A225 HydrophobicContact CD1-CB 4.13Å; L210-A225 HydrophobicContact CD2-CB 4.22Å; L210-A225 HydrophobicContact CG-CB 4.17Å; L210-F299 HydrophobicContact CD2-CB 4.12Å; L210-I315 HydrophobicContact CB-CD1 4.09Å; L210-I315 HydrophobicContact CD1-CD1 4.48Å
211E90.3Very high93.9Very high35 Ų3551.3 Ų51.316%0.16427%0.272CS..EExtended strand (participates in β ladder)trans-144.8137.6-176.1-56.9-178.1109.500111.8R222 R223 I315E211-R222 CarbonylContact O-C 3.54Å; E211-R222 WeakPolarHBondContact O-CA 3.14Å; E211-R223 HydrophobicContact CB-CB 3.91Å; E211-R223 HydrophobicContact CG-CB 4.46Å; E211-R223 PolarHBondContact N-O 3.49Å; E211-R223 PolarHBondContact O-N 2.73Å; E211-R223 WeakPolarHBondContact OE2-CD 3.25Å; E211-R223 IonicContact OE2-CZ 3.45Å; E211-R223 IonicContact OE2-NE 2.88Å; E211-R223 IonicContact OE2-NH1 2.93Å; E211-R223 PolarHBondContact OE2-NH1 3.05Å; E211-I315 VanDerWaalsContact CD-CD1 3.47Å; E211-I315 HydrophobicContact CG-CD1 3.7Å; E211-I315 HydrophobicContact CG-CG1 4.28Å; E211-I315 HydrophobicContact CG-CG2 4.46Å; E211-I315 WeakPolarHBondContact OE2-CD1 3.28Å; E211-I315 WeakPolarHBondContact OE2-CG1 3.48Å
212P91.3Very high93.9Very high32 Ų3248.8 Ų48.821%0.20826%0.258CS..SBendcis-65.4149.8-12.830-36.5000111.7K214 P215 D219 M221P212-K214 VanDerWaalsContact C-N 3.26Å; P212-K214 PolarHBondContact O-N 2.91Å; P212-P215 HydrophobicContact CG-CB 3.86Å; P212-D219 HydrophobicContact CG-CB 4.11Å; P212-M221 WeakPolarHBondContact CD-O 3.49Å
213E84.8Confident93.8Very high98 Ų9848 Ų4846%0.45825%0.254SS..SBendtrans-68.5-29.3179.4177.9169.9-146.800112.4K296 R310E213-K296 IonicContact OE1-NZ 3.76Å; E213-K296 PolarHBondContact OE1-NZ 3.34Å; E213-R310 IonicContact OE2-CZ 3.77Å; E213-R310 IonicContact OE2-NH1 2.78Å; E213-R310 PolarHBondContact OE2-NH1 3.04Å
214K89.1Confident93.7Very high182 Ų18248 Ų4879%0.79125%0.253SS*.SBendtrans-127.484.3174.4-66.3-176.7-176.71780107.9P212 S216P212-K214 VanDerWaalsContact C-N 3.26Å; P212-K214 PolarHBondContact O-N 2.91Å; K214-S216 PolarHBondContact O-N 2.93Å
215P93.4Very high93.5Very high54 Ų5445.8 Ų45.835%0.35124%0.242SC..  trans-61.1133.2-179.119.7-27.3000111.6P212 R222P212-P215 HydrophobicContact CG-CB 3.86Å; P215-R222 VanDerWaalsContact CB-CZ 3.41Å
216S95.1Very high93.5Very high38 Ų3844.1 Ų44.127%0.26622%0.22SC..  trans-93167.2167.271.20000110.5K214 S218 D219K214-S216 PolarHBondContact O-N 2.93Å; S216-S218 PolarHBondContact O-N 3.18Å; S216-S218 PolarHBondContact OG-OG 3.43Å; S216-D219 WeakPolarHBondContact CA-OD2 3.2Å; S216-D219 WeakPolarHBondContact CB-OD2 2.99Å; S216-D219 PolarHBondContact N-OD2 2.65Å; S216-D219 PolarHBondContact O-N 3.49Å; S216-D219 PolarHBondContact OG-N 3.13Å; S216-D219 PolarHBondContact OG-OD2 2.93Å
217R95.7Very high93.1Very high69 Ų6940 Ų4026%0.2621%0.209SC..THydrogen-bonded Turntrans-71.6-13.2177.4-67.7-65.8175.7-164.8-3.9113.5D164 W197 D201D164-R217 HydrophobicContact CB-CB 4.41Å; D164-R217 CarbonylContact O-C 3.59Å; D164-R217 WeakPolarHBondContact O-CB 3.4Å; W197-R217 HydrophobicContact CZ2-CB 4.36Å; W197-R217 PolarHBondContact NE1-O 2.79Å; D201-R217 IonicContact OD1-CZ 2.86Å; D201-R217 VanDerWaalsContact OD1-CZ 3.3Å; D201-R217 IonicContact OD1-NH1 2.68Å; D201-R217 PolarHBondContact OD1-NH1 3.48Å; D201-R217 IonicContact OD1-NH2 3.72Å; D201-R217 PolarHBondContact OD1-NH2 3.23Å; D201-R217 IonicContact OD2-NH1 2.92Å; D201-R217 PolarHBondContact OD2-NH1 2.89Å; D201-R217 IonicContact OD2-NH2 3.83Å
218S96.8Very high92.5Very high43 Ų4345.7 Ų45.730%0.30124%0.239SC..THydrogen-bonded Turntrans-85.4-16.2171.346.80000114.6D164 L165 S216 T220D164-S218 PolarHBondContact O-N 3.29Å; L165-S218 WeakPolarHBondContact O-CB 3.42Å; S216-S218 PolarHBondContact O-N 3.18Å; S216-S218 PolarHBondContact OG-OG 3.43Å; S218-T220 PolarHBondContact O-N 3.34Å
219D97.2Very high91.9Very high53 Ų5346.5 Ų46.528%0.28325%0.246SC..  trans-77.3111.2-175.8-66-47.2000111.3L200 P212 S216 M221 R222L200-D219 WeakPolarHBondContact CD1-O 3.31Å; P212-D219 HydrophobicContact CG-CB 4.11Å; S216-D219 WeakPolarHBondContact CA-OD2 3.2Å; S216-D219 WeakPolarHBondContact CB-OD2 2.99Å; S216-D219 PolarHBondContact N-OD2 2.65Å; S216-D219 PolarHBondContact O-N 3.49Å; S216-D219 PolarHBondContact OG-N 3.13Å; S216-D219 PolarHBondContact OG-OD2 2.93Å; D219-M221 VanDerWaalsContact C-N 3.33Å; D219-R222 PolarHBondContact O-NH1 2.96Å
220T97.4Very high91.7Very high32 Ų3245.7 Ų45.720%0.19624%0.241CC..  trans-83.6-8.9179.257.70000114.1P166 F196 S218 V236 P238P166-T220 HydrophobicContact CB-CG2 3.66Å; F196-T220 HydrophobicContact CE2-CG2 4.28Å; F196-T220 HydrophobicContact CZ-CG2 4.02Å; S218-T220 PolarHBondContact O-N 3.34Å; T220-V236 PolarHBondContact O-N 3.36Å; T220-P238 HydrophobicContact CG2-CG 3.7Å
221M96.9Very high91.9Very high49 Ų4945.1 Ų45.124%0.24124%0.239CC..EExtended strand (participates in β ladder)trans-118.7140.8-169.3-174.2-80.3-67.700111.4P212 D219 R223 K233 V234 E235P212-M221 WeakPolarHBondContact CD-O 3.49Å; D219-M221 VanDerWaalsContact C-N 3.33Å; M221-R223 HydrophobicContact SD-CB 4.43Å; M221-K233 HydrophobicContact CG-CD 4.15Å; M221-K233 HydrophobicContact CG-CG 3.75Å; M221-K233 HydrophobicContact SD-CD 4.18Å; M221-K233 HydrophobicContact SD-CG 3.55Å; M221-K233 VanDerWaalsContact SD-CG 3.55Å; M221-V234 CarbonylContact C-O 3.35Å; M221-V234 VanDerWaalsContact CA-O 3.31Å; M221-V234 WeakPolarHBondContact CA-O 3.39Å; M221-E235 HydrophobicContact CG-CB 4.47Å
222R96.9Very high92.1Very high4 Ų443.5 Ų43.52%0.01523%0.231CC..EExtended strand (participates in β ladder)trans-130.6125.8170.3-63.9-63.3-176.8-79.1-7.1110.2L200 I203 D204 E211 P215 D219 I224 V234L200-R222 HydrophobicContact CD2-CG 4.06Å; I203-R222 HydrophobicContact CG2-CB 4.23Å; I203-R222 HydrophobicContact CG2-CG 4.12Å; D204-R222 VanDerWaalsContact OD1-CD 3.31Å; D204-R222 WeakPolarHBondContact OD1-CD 3.43Å; D204-R222 IonicContact OD1-CZ 3.51Å; D204-R222 IonicContact OD1-NE 2.74Å; D204-R222 PolarHBondContact OD1-NE 3.39Å; D204-R222 IonicContact OD1-NH2 2.86Å; D204-R222 IonicContact OD2-CZ 2.68Å; D204-R222 IonicContact OD2-NE 3.86Å; D204-R222 PolarHBondContact OD2-NE 3.23Å; D204-R222 IonicContact OD2-NH2 3.48Å; D204-R222 PolarHBondContact OD2-NH2 3.26Å; E211-R222 CarbonylContact O-C 3.54Å; E211-R222 WeakPolarHBondContact O-CA 3.14Å; P215-R222 VanDerWaalsContact CB-CZ 3.41Å; D219-R222 PolarHBondContact O-NH1 2.96Å; R222-I224 HydrophobicContact CB-CD1 4.34Å; R222-I224 HydrophobicContact CB-CG1 4Å; R222-V234 PolarHBondContact N-O 2.97Å; R222-V234 PolarHBondContact O-N 3.42Å
223R94.9Very high92.3Very high21 Ų2145.3 Ų45.38%0.07924%0.236CC..EExtended strand (participates in β ladder)trans-92.4113.3164.5-172.9-178.7177.4176.6-6.6108.2V209 L210 E211 M221 S231 I232 P316V209-R223 CarbonylContact C-O 3.56Å; L210-R223 HydrophobicContact CB-CB 4.46Å; L210-R223 HydrophobicContact CB-CG 4.35Å; L210-R223 WeakPolarHBondContact CB-O 3.29Å; L210-R223 HydrophobicContact CD1-CG 4.37Å; L210-R223 PolarHBondContact N-O 2.83Å; E211-R223 HydrophobicContact CB-CB 3.91Å; E211-R223 HydrophobicContact CG-CB 4.46Å; E211-R223 PolarHBondContact N-O 3.49Å; E211-R223 PolarHBondContact O-N 2.73Å; E211-R223 WeakPolarHBondContact OE2-CD 3.25Å; E211-R223 IonicContact OE2-CZ 3.45Å; E211-R223 IonicContact OE2-NE 2.88Å; E211-R223 IonicContact OE2-NH1 2.93Å; E211-R223 PolarHBondContact OE2-NH1 3.05Å; M221-R223 HydrophobicContact SD-CB 4.43Å; R223-S231 PolarHBondContact NE-OG 3.44Å; R223-S231 PolarHBondContact NH2-OG 2.99Å; R223-I232 CarbonylContact C-O 3.46Å; R223-I232 WeakPolarHBondContact CA-O 3.26Å; R223-P316 PolarHBondContact NH2-O 2.99Å
224I94.9Very high92.9Very high0 Ų040.6 Ų40.60%021%0.214CC..EExtended strand (participates in β ladder)trans-110.4132.4-172.3-52.7164.7000108.5I203 T207 W208 R222 S231 I232 V234 F288I203-I224 HydrophobicContact CG2-CD1 3.56Å; I203-I224 HydrophobicContact CG2-CG1 4.07Å; T207-I224 HydrophobicContact CG2-CG2 4.19Å; T207-I224 WeakPolarHBondContact OG1-CG2 3.23Å; W208-I224 WeakPolarHBondContact O-CA 3.46Å; R222-I224 HydrophobicContact CB-CD1 4.34Å; R222-I224 HydrophobicContact CB-CG1 4Å; I224-S231 CarbonylContact O-C 3.27Å; I224-S231 WeakPolarHBondContact O-CA 3.48Å; I224-S231 VanDerWaalsContact O-CB 3.24Å; I224-S231 WeakPolarHBondContact O-CB 3.28Å; I224-I232 HydrophobicContact CB-CG2 4.01Å; I224-I232 PolarHBondContact N-O 3.25Å; I224-I232 PolarHBondContact O-N 3.01Å; I224-V234 HydrophobicContact CD1-CB 4.49Å; I224-V234 HydrophobicContact CD1-CG2 3.98Å; I224-F288 HydrophobicContact CG2-CD1 3.77Å; I224-F288 HydrophobicContact CG2-CE1 3.92Å
225A92.7Very high93.4Very high1 Ų135.2 Ų35.21%0.00819%0.192CC..EExtended strand (participates in β ladder)trans-71.1135.2171.800000110.2W208 L210 P289 F299W208-A225 HydrophobicContact CB-CB 4.17Å; W208-A225 HydrophobicContact CG-CB 4.42Å; W208-A225 PolarHBondContact O-N 3.09Å; L210-A225 HydrophobicContact CD1-CB 4.13Å; L210-A225 HydrophobicContact CD2-CB 4.22Å; L210-A225 HydrophobicContact CG-CB 4.17Å; A225-P289 WeakPolarHBondContact O-CD 3.44Å; A225-F299 HydrophobicContact CB-CB 4.13Å; A225-F299 HydrophobicContact CB-CD1 3.81Å; A225-F299 HydrophobicContact CB-CD2 4.4Å; A225-F299 HydrophobicContact CB-CE1 4.36Å; A225-F299 HydrophobicContact CB-CG 3.85Å
226I92.2Very high93.6Very high20 Ų2032.9 Ų32.910%0.10318%0.176CC..EExtended strand (participates in β ladder)trans-122.3-5.5176.359174.8000112.7V230 I232 L249 L259 I286 F288I226-V230 HydrophobicContact CD1-CG1 3.74Å; I226-V230 HydrophobicContact CG1-CB 4.14Å; I226-V230 HydrophobicContact CG1-CG1 3.65Å; I226-V230 PolarHBondContact N-O 3.01Å; I226-I232 HydrophobicContact CD1-CB 4.38Å; I226-I232 HydrophobicContact CG2-CB 4.4Å; I226-I232 HydrophobicContact CG2-CG2 3.66Å; I226-L249 HydrophobicContact CD1-CD2 3.6Å; I226-L259 HydrophobicContact CD1-CD1 3.7Å; I226-I286 HydrophobicContact CB-CD1 3.85Å; I226-I286 HydrophobicContact CD1-CD1 4.47Å; I226-I286 HydrophobicContact CG2-CD1 3.68Å; I226-F288 HydrophobicContact CG2-CD1 3.86Å; I226-F288 HydrophobicContact CG2-CE1 3.5Å; I226-F288 VanDerWaalsContact CG2-CE1 3.5Å; I226-F288 HydrophobicContact CG2-CZ 4.31Å
227G86.7Confident93.6Very high24 Ų2434.6 Ų34.625%0.24718%0.182CC..EExtended strand (participates in β ladder)trans176.8-176.4176.200000111.1N229 V230G227-N229 PolarHBondContact O-N 2.91Å; G227-V230 PolarHBondContact N-O 3.43Å; G227-V230 PolarHBondContact O-N 3.43Å; G227-V230 VanDerWaalsContact O-O 3.08Å
228N81.5Confident93.7Very high123 Ų12332 Ų3266%0.65818%0.175SC*.THydrogen-bonded Turntrans-65.8122.6178.2-66.6-5.7000110.2V230N228-V230 PolarHBondContact O-N 3.45Å; N228-V230 VanDerWaalsContact O-N 3.16Å
229N79.8Confident93.6Very high55 Ų5538.9 Ų38.929%0.29419%0.194SC..THydrogen-bonded Turntrans56.424.6-177.3-57.5-23.4000114.2G227 G251 V301 V319 G326G227-N229 PolarHBondContact O-N 2.91Å; N229-G251 WeakPolarHBondContact O-CA 3.48Å; N229-V301 WeakPolarHBondContact OD1-CB 3.5Å; N229-V301 WeakPolarHBondContact OD1-CG2 3.42Å; N229-V319 HydrophobicContact CB-CG1 4.5Å; N229-G326 PolarHBondContact ND2-O 2.99Å
230V88.8Confident93.5Very high12 Ų1241.5 Ų41.57%0.07320%0.204CC..EExtended strand (participates in β ladder)trans-134.7133.3176.3-170.60000110.6I226 G227 N228 L250 V255 V256 L259I226-V230 HydrophobicContact CD1-CG1 3.74Å; I226-V230 HydrophobicContact CG1-CB 4.14Å; I226-V230 HydrophobicContact CG1-CG1 3.65Å; I226-V230 PolarHBondContact N-O 3.01Å; G227-V230 PolarHBondContact N-O 3.43Å; G227-V230 PolarHBondContact O-N 3.43Å; G227-V230 VanDerWaalsContact O-O 3.08Å; N228-V230 PolarHBondContact O-N 3.45Å; N228-V230 VanDerWaalsContact O-N 3.16Å; V230-L250 WeakPolarHBondContact CA-O 3.46Å; V230-V255 HydrophobicContact CG2-CB 4Å; V230-V255 HydrophobicContact CG2-CG1 3.58Å; V230-V256 HydrophobicContact CG1-CG1 4.11Å; V230-L259 HydrophobicContact CG1-CD1 4.25Å
231S92.9Very high93.5Very high3 Ų340.6 Ų40.62%0.02120%0.199CC..EExtended strand (participates in β ladder)trans-141.1159.2179.255.80000111.2R223 I224 L250R223-S231 PolarHBondContact NE-OG 3.44Å; R223-S231 PolarHBondContact NH2-OG 2.99Å; I224-S231 CarbonylContact O-C 3.27Å; I224-S231 WeakPolarHBondContact O-CA 3.48Å; I224-S231 VanDerWaalsContact O-CB 3.24Å; I224-S231 WeakPolarHBondContact O-CB 3.28Å; S231-L250 PolarHBondContact N-O 3.43Å; S231-L250 PolarHBondContact O-N 3.4Å
232I95.3Very high93.4Very high0 Ų042 Ų420%020%0.204CC..EExtended strand (participates in β ladder)trans-117.3126.8170.8-173170.6000109R223 I224 I226 V234 C247 L249 L280 L284 F288R223-I232 CarbonylContact C-O 3.46Å; R223-I232 WeakPolarHBondContact CA-O 3.26Å; I224-I232 HydrophobicContact CB-CG2 4.01Å; I224-I232 PolarHBondContact N-O 3.25Å; I224-I232 PolarHBondContact O-N 3.01Å; I226-I232 HydrophobicContact CD1-CB 4.38Å; I226-I232 HydrophobicContact CG2-CB 4.4Å; I226-I232 HydrophobicContact CG2-CG2 3.66Å; I232-V234 HydrophobicContact CD1-CG2 4.2Å; I232-V234 HydrophobicContact CG1-CG2 4Å; I232-V234 HydrophobicContact CG2-CG2 4.17Å; I232-C247 HydrophobicContact CD1-CB 4.12Å; I232-C247 HydrophobicContact CG1-CB 4.5Å; I232-L249 HydrophobicContact CB-CD2 4Å; I232-L249 HydrophobicContact CD1-CD2 4.17Å; I232-L249 HydrophobicContact CG1-CD2 4.11Å; I232-L280 HydrophobicContact CD1-CD2 4.48Å; I232-L284 HydrophobicContact CD1-CD1 3.81Å; I232-F288 HydrophobicContact CG2-CE1 4.18Å
233K96.1Very high93.4Very high70 Ų7047 Ų4730%0.30423%0.228SC..EExtended strand (participates in β ladder)trans-86.3122.2166.8-173.5-168.2172.2-156.30107.8M221 E235 C247 C248M221-K233 HydrophobicContact CG-CD 4.15Å; M221-K233 HydrophobicContact CG-CG 3.75Å; M221-K233 HydrophobicContact SD-CD 4.18Å; M221-K233 HydrophobicContact SD-CG 3.55Å; M221-K233 VanDerWaalsContact SD-CG 3.55Å; K233-E235 IonicContact NZ-OE2 3.21Å; K233-E235 PolarHBondContact NZ-OE2 3.39Å; K233-C247 CarbonylContact O-C 3.59Å; K233-C247 VanDerWaalsContact O-CA 3.31Å; K233-C247 WeakPolarHBondContact O-CA 3.07Å; K233-C248 HydrophobicContact CB-CB 4.16Å; K233-C248 PolarHBondContact N-O 3.11Å; K233-C248 PolarHBondContact O-N 2.88Å
234V97.5Very high93.4Very high0 Ų049.1 Ų49.10%024%0.241CC..EExtended strand (participates in β ladder)trans-117.3123.7178.6-178.50000108.1M221 R222 I224 I232 V236 P245 L280M221-V234 CarbonylContact C-O 3.35Å; M221-V234 VanDerWaalsContact CA-O 3.31Å; M221-V234 WeakPolarHBondContact CA-O 3.39Å; R222-V234 PolarHBondContact N-O 2.97Å; R222-V234 PolarHBondContact O-N 3.42Å; I224-V234 HydrophobicContact CD1-CB 4.49Å; I224-V234 HydrophobicContact CD1-CG2 3.98Å; I232-V234 HydrophobicContact CD1-CG2 4.2Å; I232-V234 HydrophobicContact CG1-CG2 4Å; I232-V234 HydrophobicContact CG2-CG2 4.17Å; V234-V236 HydrophobicContact CG1-CG2 4.15Å; V234-P245 HydrophobicContact CG1-CB 3.76Å; V234-P245 HydrophobicContact CG1-CG 3.58Å; V234-L280 HydrophobicContact CG1-CD1 4.32Å; V234-L280 HydrophobicContact CG2-CD1 3.99Å
235E97.8Very high93.4Very high69 Ų6949.7 Ų49.732%0.32225%0.245SC..EExtended strand (participates in β ladder)trans-117111.8178-173.3159.317300109.6M221 K233 P245 E246M221-E235 HydrophobicContact CG-CB 4.47Å; K233-E235 IonicContact NZ-OE2 3.21Å; K233-E235 PolarHBondContact NZ-OE2 3.39Å; E235-P245 WeakPolarHBondContact O-CB 3.37Å; E235-E246 HydrophobicContact CB-CB 4.29Å; E235-E246 PolarHBondContact N-O 3.29Å; E235-E246 PolarHBondContact O-N 3.35Å
236V97.8Very high93.6Very high5 Ų556.3 Ų56.33%0.0328%0.276CS..  trans-95127.5-173.1-177.60000109.4F196 V199 L200 T220 V234 P238 P241 P245F196-V236 HydrophobicContact CD2-CB 4.42Å; F196-V236 HydrophobicContact CD2-CG1 3.88Å; F196-V236 HydrophobicContact CE2-CB 4.15Å; F196-V236 HydrophobicContact CE2-CG1 4.12Å; V199-V236 HydrophobicContact CG1-CG1 4.3Å; V199-V236 HydrophobicContact CG1-CG2 4.27Å; L200-V236 HydrophobicContact CD2-CG2 4.12Å; T220-V236 PolarHBondContact O-N 3.36Å; V234-V236 HydrophobicContact CG1-CG2 4.15Å; V236-P238 WeakPolarHBondContact O-CD 3.47Å; V236-P241 HydrophobicContact CG1-CB 3.9Å; V236-P245 HydrophobicContact CG2-CB 4.47Å
237D96.9Very high93.7Very high73 Ų7356.8 Ų56.839%0.3928%0.281SS..  trans-71.7118.8172.8-179.6-3.9000109.8R239 H240 P241D237-R239 PolarHBondContact O-N 2.99Å; D237-R239 VanDerWaalsContact O-N 3.15Å; D237-R239 PolarHBondContact OD1-N 3.29Å; D237-H240 HydrophobicContact CB-CB 4.49Å; D237-H240 CarbonylContact O-C 3.59Å; D237-H240 VanDerWaalsContact O-C 3.27Å; D237-H240 PolarHBondContact O-N 2.92Å; D237-H240 VanDerWaalsContact O-N 3.14Å; D237-H240 IonicContact OD2-CE1 2.88Å; D237-H240 IonicContact OD2-CG 2.77Å; D237-H240 IonicContact OD2-ND1 3.82Å; D237-H240 PolarHBondContact OD2-ND1 2.86Å; D237-P241 VanDerWaalsContact O-CA 3.25Å; D237-P241 WeakPolarHBondContact O-CA 3.48Å; D237-P241 VanDerWaalsContact O-N 3.11Å
238P96.8Very high94Very high16 Ų1658.4 Ų58.410%0.10429%0.288CS..THydrogen-bonded Turntrans-59.9-25.2178.6-22.734.4000114.6P166 V167 L193 F196 T220 V236P166-P238 HydrophobicContact CB-CB 4.04Å; P166-P238 HydrophobicContact CB-CG 3.57Å; P166-P238 HydrophobicContact CG-CB 3.79Å; P166-P238 HydrophobicContact CG-CG 3.93Å; V167-P238 HydrophobicContact CG1-CB 3.85Å; V167-P238 HydrophobicContact CG1-CG 4.21Å; L193-P238 HydrophobicContact CD2-CB 3.99Å; F196-P238 VanDerWaalsContact CD2-CA 3.49Å; F196-P238 HydrophobicContact CD2-CB 4.03Å; F196-P238 HydrophobicContact CD2-CG 4.24Å; F196-P238 HydrophobicContact CE2-CB 4.22Å; F196-P238 HydrophobicContact CE2-CG 3.95Å; F196-P238 HydrophobicContact CG-CB 4.2Å; F196-P238 HydrophobicContact CZ-CG 4.27Å; T220-P238 HydrophobicContact CG2-CG 3.7Å; V236-P238 WeakPolarHBondContact O-CD 3.47Å
239R94.4Very high94.6Very high186 Ų18653.2 Ų53.270%0.70226%0.259SS*.THydrogen-bonded Turntrans-87.4-22.7-179.7-62.2179.6-177.3161.61.8112.7D237D237-R239 PolarHBondContact O-N 2.99Å; D237-R239 VanDerWaalsContact O-N 3.15Å; D237-R239 PolarHBondContact OD1-N 3.29Å
240H96.1Very high95Very high108 Ų10852.8 Ų52.850%0.526%0.257SS..SBendtrans-13858.5-177.9-49.2100.8000111D237 K242 M243D237-H240 HydrophobicContact CB-CB 4.49Å; D237-H240 CarbonylContact O-C 3.59Å; D237-H240 VanDerWaalsContact O-C 3.27Å; D237-H240 PolarHBondContact O-N 2.92Å; D237-H240 VanDerWaalsContact O-N 3.14Å; D237-H240 IonicContact OD2-CE1 2.88Å; D237-H240 IonicContact OD2-CG 2.77Å; D237-H240 IonicContact OD2-ND1 3.82Å; D237-H240 PolarHBondContact OD2-ND1 2.86Å; H240-K242 PolarHBondContact O-N 3.17Å; H240-K242 VanDerWaalsContact O-N 3.08Å; H240-M243 HydrophobicContact CB-CB 4.25Å; H240-M243 HydrophobicContact CB-CG 3.73Å; H240-M243 WeakPolarHBondContact O-CB 3.31Å; H240-M243 PolarHBondContact O-N 3.47Å
241P96.4Very high95Very high13 Ų1353 Ų538%0.08426%0.262CS..THydrogen-bonded Turntrans-67.1-18.4-165.226.8-36.8000114.8D195 F196 V199 V236 D237 V276D195-P241 HydrophobicContact CB-CG 3.78Å; F196-P241 HydrophobicContact CB-CB 3.92Å; F196-P241 HydrophobicContact CB-CG 4.13Å; F196-P241 HydrophobicContact CD2-CB 4.37Å; V199-P241 HydrophobicContact CG2-CB 4.31Å; V236-P241 HydrophobicContact CG1-CB 3.9Å; D237-P241 VanDerWaalsContact O-CA 3.25Å; D237-P241 WeakPolarHBondContact O-CA 3.48Å; D237-P241 VanDerWaalsContact O-N 3.11Å; P241-V276 WeakPolarHBondContact O-CG2 3.3Å
242K95.8Very high94.7Very high80 Ų8053.1 Ų53.135%0.34826%0.263SS..THydrogen-bonded Turntrans-93.4-5179.3-60.3177.7-178.5153.30113.4D195 H240 W270D195-K242 IonicContact OD1-NZ 3.72Å; D195-K242 PolarHBondContact OD1-NZ 3.29Å; D195-K242 IonicContact OD2-NZ 2.83Å; D195-K242 PolarHBondContact OD2-NZ 3.01Å; H240-K242 PolarHBondContact O-N 3.17Å; H240-K242 VanDerWaalsContact O-N 3.08Å; K242-W270 PolarHBondContact O-NE1 3.42Å
243M95.6Very high94.3Very high107 Ų10757.1 Ų57.153%0.52728%0.284SS..SBendtrans-75.8163.8174.4-65.1-60.1-67.800111H240 P245 P272H240-M243 HydrophobicContact CB-CB 4.25Å; H240-M243 HydrophobicContact CB-CG 3.73Å; H240-M243 WeakPolarHBondContact O-CB 3.31Å; H240-M243 PolarHBondContact O-N 3.47Å; M243-P245 WeakPolarHBondContact O-CD 3.22Å; M243-P245 VanDerWaalsContact O-N 3.11Å; M243-P272 HydrophobicContact SD-CG 4.41Å
244L95.5Very high93.9Very high66 Ų6658 Ų5835%0.34629%0.289SS..  trans-56.7114.7175.5179.476.4000109.8M267 W270L244-M267 HydrophobicContact CD1-CG 4.38Å; L244-M267 HydrophobicContact CD2-CG 3.39Å; L244-M267 HydrophobicContact CD2-SD 3.43Å; L244-M267 WeakPolarHBondContact CD2-SD 3.35Å; L244-W270 HydrophobicContact CB-CD2 4.05Å; L244-W270 HydrophobicContact CB-CE3 4.44Å; L244-W270 HydrophobicContact CB-CG 4.22Å; L244-W270 HydrophobicContact CD1-CD2 3.74Å; L244-W270 HydrophobicContact CD1-CE3 3.26Å; L244-W270 HydrophobicContact CD1-CG 4.38Å; L244-W270 HydrophobicContact CD1-CH2 4.31Å; L244-W270 HydrophobicContact CD1-CZ3 3.59Å; L244-W270 HydrophobicContact CG-CE3 4.44Å
245P96.1Very high93.5Very high13 Ų1360.6 Ų60.68%0.08431%0.305CS..  trans-76.1162.2-179.430.1-32.9000111.4V234 E235 V236 M243 C247 W270 V276V234-P245 HydrophobicContact CG1-CB 3.76Å; V234-P245 HydrophobicContact CG1-CG 3.58Å; E235-P245 WeakPolarHBondContact O-CB 3.37Å; V236-P245 HydrophobicContact CG2-CB 4.47Å; M243-P245 WeakPolarHBondContact O-CD 3.22Å; M243-P245 VanDerWaalsContact O-N 3.11Å; P245-C247 PolarHBondContact O-N 3.32Å; P245-C247 PolarHBondContact O-SG 2.76Å; P245-C247 VanDerWaalsContact O-SG 3.34Å; P245-W270 VanDerWaalsContact CD-CZ2 3.47Å; P245-W270 HydrophobicContact CG-CH2 4.09Å; P245-V276 HydrophobicContact CG-CG1 4.24Å
246E95.4Very high93.2Very high139 Ų13957.4 Ų57.465%0.6529%0.29SS*.EExtended strand (participates in β ladder)trans-68.4122.3169.4-174.7179.8163.600109.1E235E235-E246 HydrophobicContact CB-CB 4.29Å; E235-E246 PolarHBondContact N-O 3.29Å; E235-E246 PolarHBondContact O-N 3.35Å
247C94.8Very high93Very high31 Ų3159.9 Ų59.921%0.20931%0.305CS..EExtended strand (participates in β ladder)trans-119.1125.8-174.5-67.70000110.7I232 K233 P245 L263I232-C247 HydrophobicContact CD1-CB 4.12Å; I232-C247 HydrophobicContact CG1-CB 4.5Å; K233-C247 CarbonylContact O-C 3.59Å; K233-C247 VanDerWaalsContact O-CA 3.31Å; K233-C247 WeakPolarHBondContact O-CA 3.07Å; P245-C247 PolarHBondContact O-N 3.32Å; P245-C247 PolarHBondContact O-SG 2.76Å; P245-C247 VanDerWaalsContact O-SG 3.34Å; C247-L263 HydrophobicContact CB-CD2 3.99Å
248C93.4Very high92.9Very high58 Ų5859.6 Ų59.639%0.39231%0.308SS..EExtended strand (participates in β ladder)trans-125.9113.1175.1-175.40000110.9K233K233-C248 HydrophobicContact CB-CB 4.16Å; K233-C248 PolarHBondContact N-O 3.11Å; K233-C248 PolarHBondContact O-N 2.88Å
249L93Very high92.9Very high13 Ų1360 Ų607%0.06831%0.309CS..EExtended strand (participates in β ladder)trans-80.9130.2176.7-70.7162.3000110.7I226 I232 V256 L259 R260I226-L249 HydrophobicContact CD1-CD2 3.6Å; I232-L249 HydrophobicContact CB-CD2 4Å; I232-L249 HydrophobicContact CD1-CD2 4.17Å; I232-L249 HydrophobicContact CG1-CD2 4.11Å; L249-V256 HydrophobicContact CB-CB 4.17Å; L249-V256 HydrophobicContact CB-CG1 4.23Å; L249-L259 HydrophobicContact CD1-CB 3.68Å; L249-L259 HydrophobicContact CD2-CB 4.3Å; L249-L259 HydrophobicContact CD2-CD1 4.35Å; L249-R260 HydrophobicContact CD1-CB 4.03Å
250L89.5Confident92.9Very high47 Ų4756.2 Ų56.225%0.24629%0.294CS..EExtended strand (participates in β ladder)trans-124.6128-176.5-59.6172.2000109.8V230 S231V230-L250 WeakPolarHBondContact CA-O 3.46Å; S231-L250 PolarHBondContact N-O 3.43Å; S231-L250 PolarHBondContact O-N 3.4Å
251G89Confident92.9Very high17 Ų1755.7 Ų55.718%0.17530%0.296CS..SBendtrans155.5-175.9-177.300000111.2N229N229-G251 WeakPolarHBondContact O-CA 3.48Å
252A86.2Confident92.9Very high5 Ų558.3 Ų58.34%0.04131%0.306CS..  trans-62.5140176.500000111.5H254 V255 V256 V319A252-H254 VanDerWaalsContact C-N 3.26Å; A252-H254 PolarHBondContact O-N 2.89Å; A252-H254 VanDerWaalsContact O-N 3.14Å; A252-V255 HydrophobicContact CB-CG2 4.31Å; A252-V255 PolarHBondContact O-N 2.83Å; A252-V256 PolarHBondContact O-N 3.42Å; A252-V319 HydrophobicContact CB-CG1 4.05Å
253D86.8Confident92.8Very high83 Ų8355.5 Ų55.544%0.44429%0.294SS..Hα-helixtrans-54.7-40-171.3-78.5-34.6000113.2V255 T257 N321D253-V255 PolarHBondContact O-N 2.78Å; D253-T257 WeakPolarHBondContact O-CB 3.24Å; D253-T257 PolarHBondContact O-N 2.88Å; D253-T257 PolarHBondContact O-OG1 3.06Å; D253-N321 PolarHBondContact N-OD1 3.32Å; D253-N321 PolarHBondContact OD2-ND2 3.04Å
254H86.8Confident92.8Very high88 Ų8855.2 Ų55.241%0.40730%0.295SS..Hα-helixtrans-67.2-21.7-179.967.1-89.8000113.2A252 P258 N321A252-H254 VanDerWaalsContact C-N 3.26Å; A252-H254 PolarHBondContact O-N 2.89Å; A252-H254 VanDerWaalsContact O-N 3.14Å; H254-P258 WeakPolarHBondContact O-CD 3.03Å; H254-N321 PolarHBondContact ND1-O 3.14Å
255V89.4Confident92.8Very high56 Ų5654.9 Ų54.934%0.33930%0.302SS..Hα-helixtrans-93.4-40.2177.6-1650000111.6V230 A252 D253 P258V230-V255 HydrophobicContact CG2-CB 4Å; V230-V255 HydrophobicContact CG2-CG1 3.58Å; A252-V255 HydrophobicContact CB-CG2 4.31Å; A252-V255 PolarHBondContact O-N 2.83Å; D253-V255 PolarHBondContact O-N 2.78Å; V255-P258 WeakPolarHBondContact O-CD 3.16Å
256V92.1Very high92.8Very high2 Ų255.3 Ų55.31%0.01230%0.303CS..Hα-helixtrans-78.9-28-178-61.30000113.4V230 L249 A252 L259 R260V230-V256 HydrophobicContact CG1-CG1 4.11Å; L249-V256 HydrophobicContact CB-CB 4.17Å; L249-V256 HydrophobicContact CB-CG1 4.23Å; A252-V256 PolarHBondContact O-N 3.42Å; V256-L259 PolarHBondContact O-N 3.13Å; V256-R260 WeakPolarHBondContact O-CB 3.41Å; V256-R260 PolarHBondContact O-N 3.03Å
257T93.6Very high92.7Very high56 Ų5653.3 Ų53.334%0.34430%0.295SS..Hα-helixtrans-62.1-46.7-177.3-61.40000112.7D253 L259 R260 N261D253-T257 WeakPolarHBondContact O-CB 3.24Å; D253-T257 PolarHBondContact O-N 2.88Å; D253-T257 PolarHBondContact O-OG1 3.06Å; T257-L259 VanDerWaalsContact C-N 3.34Å; T257-L259 PolarHBondContact O-N 3.46Å; T257-R260 PolarHBondContact O-N 3.17Å; T257-N261 VanDerWaalsContact O-CG 3.28Å; T257-N261 PolarHBondContact O-N 2.81Å; T257-N261 PolarHBondContact O-ND2 2.86Å
258P94.9Very high92.7Very high68 Ų6859.1 Ų59.144%0.44232%0.319SS..Hα-helixtrans-57.5-43.9173.1-25.434.6000113.2H254 V255 R260 N261 K262H254-P258 WeakPolarHBondContact O-CD 3.03Å; V255-P258 WeakPolarHBondContact O-CD 3.16Å; P258-R260 PolarHBondContact O-N 3.41Å; P258-N261 PolarHBondContact O-N 3.42Å; P258-K262 WeakPolarHBondContact O-CG 3.45Å; P258-K262 PolarHBondContact O-N 3.29Å
259L95.3Very high92.8Very high23 Ų2360.9 Ų60.912%0.1232%0.322CS..Hα-helixtrans-65-39.4179.2-67.3170.7000112I226 V230 L249 V256 T257 N261 K262 L263 I286I226-L259 HydrophobicContact CD1-CD1 3.7Å; V230-L259 HydrophobicContact CG1-CD1 4.25Å; L249-L259 HydrophobicContact CD1-CB 3.68Å; L249-L259 HydrophobicContact CD2-CB 4.3Å; L249-L259 HydrophobicContact CD2-CD1 4.35Å; V256-L259 PolarHBondContact O-N 3.13Å; T257-L259 VanDerWaalsContact C-N 3.34Å; T257-L259 PolarHBondContact O-N 3.46Å; L259-N261 VanDerWaalsContact C-N 3.33Å; L259-N261 PolarHBondContact O-N 3.12Å; L259-K262 PolarHBondContact O-N 3.02Å; L259-L263 WeakPolarHBondContact O-CB 3.4Å; L259-L263 PolarHBondContact O-N 3.49Å; L259-I286 HydrophobicContact CD2-CG2 3.73Å
260R95.3Very high92.9Very high107 Ų10761.7 Ų61.740%0.40433%0.325SS..Hα-helixtrans-63.5-40174.7-172.2-178.3-651381.4111.5L249 V256 T257 P258 L263 N264L249-R260 HydrophobicContact CD1-CB 4.03Å; V256-R260 WeakPolarHBondContact O-CB 3.41Å; V256-R260 PolarHBondContact O-N 3.03Å; T257-R260 PolarHBondContact O-N 3.17Å; P258-R260 PolarHBondContact O-N 3.41Å; R260-L263 PolarHBondContact O-N 2.85Å; R260-N264 WeakPolarHBondContact O-CB 3.39Å; R260-N264 VanDerWaalsContact O-CG 3.27Å; R260-N264 PolarHBondContact O-N 3.42Å; R260-N264 PolarHBondContact O-ND2 2.77Å
261N95.7Very high93.2Very high98 Ų9862.4 Ų62.452%0.52433%0.329SS..Hα-helixtrans-64.4-42.4176.2-67.9-16.3000111.5T257 P258 L259 N264 A265T257-N261 VanDerWaalsContact O-CG 3.28Å; T257-N261 PolarHBondContact O-N 2.81Å; T257-N261 PolarHBondContact O-ND2 2.86Å; P258-N261 PolarHBondContact O-N 3.42Å; L259-N261 VanDerWaalsContact C-N 3.33Å; L259-N261 PolarHBondContact O-N 3.12Å; N261-N264 PolarHBondContact O-N 3.17Å; N261-A265 VanDerWaalsContact O-CB 3.3Å; N261-A265 WeakPolarHBondContact O-CB 3.43Å; N261-A265 PolarHBondContact O-N 3.26Å
262K96.4Very high93.5Very high68 Ų6864.2 Ų64.230%0.29634%0.337SS..Hα-helixtrans-60.6-50.3173.8-68.9-172.7-179.3-156.10111.7P258 L259 N264 A265 N266 L284 E285P258-K262 WeakPolarHBondContact O-CG 3.45Å; P258-K262 PolarHBondContact O-N 3.29Å; L259-K262 PolarHBondContact O-N 3.02Å; K262-N264 VanDerWaalsContact C-N 3.3Å; K262-N264 PolarHBondContact O-N 3.32Å; K262-A265 PolarHBondContact O-N 2.91Å; K262-N266 VanDerWaalsContact O-CB 3.23Å; K262-N266 WeakPolarHBondContact O-CB 3.4Å; K262-N266 PolarHBondContact O-N 3.45Å; K262-L284 WeakPolarHBondContact CD-O 3.28Å; K262-E285 HydrophobicContact CD-CB 4.2Å; K262-E285 HydrophobicContact CD-CG 4.45Å; K262-E285 WeakPolarHBondContact CE-OE2 3.36Å; K262-E285 IonicContact NZ-OE2 2.88Å; K262-E285 PolarHBondContact NZ-OE2 3.01Å
263L94.6Very high93.9Very high20 Ų2071.4 Ų71.411%0.10538%0.375CS..Hα-helixtrans-51.5-49.5177-179.261.4000111.7C247 L259 R260 M267 V283 L284C247-L263 HydrophobicContact CB-CD2 3.99Å; L259-L263 WeakPolarHBondContact O-CB 3.4Å; L259-L263 PolarHBondContact O-N 3.49Å; R260-L263 PolarHBondContact O-N 2.85Å; L263-M267 WeakPolarHBondContact O-CB 3.46Å; L263-M267 PolarHBondContact O-N 3.2Å; L263-V283 HydrophobicContact CD1-CG1 3.57Å; L263-L284 HydrophobicContact CB-CD2 3.9Å; L263-L284 HydrophobicContact CD1-CD2 4.26Å
264N94.9Very high94.4Very high101 Ų10169.4 Ų69.454%0.5437%0.368SS..Hα-helixtrans-68.1-40.3-179.3-69.4-20.5000112.9R260 N261 K262R260-N264 WeakPolarHBondContact O-CB 3.39Å; R260-N264 VanDerWaalsContact O-CG 3.27Å; R260-N264 PolarHBondContact O-N 3.42Å; R260-N264 PolarHBondContact O-ND2 2.77Å; N261-N264 PolarHBondContact O-N 3.17Å; K262-N264 VanDerWaalsContact C-N 3.3Å; K262-N264 PolarHBondContact O-N 3.32Å
265A95.9Very high94.8Very high60 Ų6066.7 Ų66.750%0.49636%0.358SS..Hα-helixtrans-68.5-39.7179.800000111.8N261 K262 H268N261-A265 VanDerWaalsContact O-CB 3.3Å; N261-A265 WeakPolarHBondContact O-CB 3.43Å; N261-A265 PolarHBondContact O-N 3.26Å; K262-A265 PolarHBondContact O-N 2.91Å; A265-H268 PolarHBondContact O-CE1 3.22Å; A265-H268 PolarHBondContact O-ND1 3.45Å
266N96.4Very high95.2Very high22 Ų2264 Ų6412%0.11834%0.342CS..Hα-helixtrans-96.5-2.1-170.3-67.5-12.8000113.4K262 H268 M269 V283 E285K262-N266 VanDerWaalsContact O-CB 3.23Å; K262-N266 WeakPolarHBondContact O-CB 3.4Å; K262-N266 PolarHBondContact O-N 3.45Å; N266-H268 PolarHBondContact O-N 2.94Å; N266-M269 HydrophobicContact CB-CE 3.38Å; N266-M269 WeakPolarHBondContact O-CB 3.33Å; N266-M269 PolarHBondContact O-N 3.18Å; N266-V283 HydrophobicContact CB-CB 4.31Å; N266-V283 HydrophobicContact CB-CG1 3.97Å; N266-V283 HydrophobicContact CB-CG2 4.46Å; N266-V283 WeakPolarHBondContact CB-O 3.35Å; N266-V283 PolarHBondContact ND2-O 3.16Å; N266-E285 PolarHBondContact ND2-OE1 3.42Å
267M92.9Very high95.4Very high96 Ų9664.6 Ų64.647%0.47335%0.345SS..G310 helixtrans-53.4-31.7-178.1-165.7175.46900113.8L244 L263 M269 W270L244-M267 HydrophobicContact CD1-CG 4.38Å; L244-M267 HydrophobicContact CD2-CG 3.39Å; L244-M267 HydrophobicContact CD2-SD 3.43Å; L244-M267 WeakPolarHBondContact CD2-SD 3.35Å; L263-M267 WeakPolarHBondContact O-CB 3.46Å; L263-M267 PolarHBondContact O-N 3.2Å; M267-M269 PolarHBondContact O-N 3.5Å; M267-W270 WeakPolarHBondContact O-CB 3.17Å; M267-W270 PolarHBondContact O-N 2.98Å
268H93.9Very high95.5Very high153 Ų15364.6 Ų64.671%0.70834%0.343SS*.G310 helixtrans-69.3-15.1178.169.4-82.6000114A265 N266 W270A265-H268 PolarHBondContact O-CE1 3.22Å; A265-H268 PolarHBondContact O-ND1 3.45Å; N266-H268 PolarHBondContact O-N 2.94Å; H268-W270 VanDerWaalsContact C-N 3.3Å
269M95.1Very high95.7Very high95 Ų9561.6 Ų61.647%0.46832%0.323SS..G310 helixtrans-85.3-1.4176.5-59.6-165.4-71.600113N266 M267 N271N266-M269 HydrophobicContact CB-CE 3.38Å; N266-M269 WeakPolarHBondContact O-CB 3.33Å; N266-M269 PolarHBondContact O-N 3.18Å; M267-M269 PolarHBondContact O-N 3.5Å; M269-N271 PolarHBondContact O-N 3.44Å
270W96.9Very high95.7Very high31 Ų3160.5 Ų60.512%0.11732%0.318CS..  trans-60.1119.9179-168.6-84.6000111.1K242 L244 P245 M267 H268 V276 N279 L280 V283K242-W270 PolarHBondContact O-NE1 3.42Å; L244-W270 HydrophobicContact CB-CD2 4.05Å; L244-W270 HydrophobicContact CB-CE3 4.44Å; L244-W270 HydrophobicContact CB-CG 4.22Å; L244-W270 HydrophobicContact CD1-CD2 3.74Å; L244-W270 HydrophobicContact CD1-CE3 3.26Å; L244-W270 HydrophobicContact CD1-CG 4.38Å; L244-W270 HydrophobicContact CD1-CH2 4.31Å; L244-W270 HydrophobicContact CD1-CZ3 3.59Å; L244-W270 HydrophobicContact CG-CE3 4.44Å; P245-W270 VanDerWaalsContact CD-CZ2 3.47Å; P245-W270 HydrophobicContact CG-CH2 4.09Å; M267-W270 WeakPolarHBondContact O-CB 3.17Å; M267-W270 PolarHBondContact O-N 2.98Å; H268-W270 VanDerWaalsContact C-N 3.3Å; W270-V276 HydrophobicContact CH2-CG1 3.97Å; W270-V276 HydrophobicContact CZ2-CB 4.44Å; W270-V276 HydrophobicContact CZ2-CG1 4.24Å; W270-V276 HydrophobicContact CZ2-CG2 4.23Å; W270-N279 HydrophobicContact CD2-CB 3.82Å; W270-N279 HydrophobicContact CE3-CB 3.54Å; W270-N279 HydrophobicContact CH2-CB 3.65Å; W270-N279 HydrophobicContact CZ2-CB 3.92Å; W270-N279 HydrophobicContact CZ3-CB 3.45Å; W270-N279 VanDerWaalsContact CZ3-CB 3.45Å; W270-L280 HydrophobicContact CH2-CD2 4.25Å; W270-L280 HydrophobicContact CH2-CG 4.08Å; W270-L280 HydrophobicContact CZ3-CD2 3.98Å; W270-L280 HydrophobicContact CZ3-CG 4.1Å; W270-V283 HydrophobicContact CE3-CG2 4.32Å
271N95.9Very high95.8Very high62 Ų6260.1 Ų60.133%0.33232%0.316SS..  trans-111.4111.2-179.4-178.814.8000110.8M269 D273 S274 N279M269-N271 PolarHBondContact O-N 3.44Å; N271-D273 PolarHBondContact O-N 3.29Å; N271-D273 VanDerWaalsContact O-N 3.16Å; N271-D273 PolarHBondContact OD1-N 3.19Å; N271-D273 VanDerWaalsContact OD1-N 3.14Å; N271-S274 PolarHBondContact ND2-OG 3.12Å; N271-S274 WeakPolarHBondContact O-CB 3.5Å; N271-S274 PolarHBondContact O-N 3.13Å; N271-N279 PolarHBondContact N-OD1 2.79Å; N271-N279 PolarHBondContact O-ND2 3.08Å; N271-N279 PolarHBondContact O-OD1 3.44Å
272P94.7Very high95.8Very high55 Ų5559.2 Ų59.236%0.35731%0.312SS..THydrogen-bonded Turntrans-61.1-20.5177.5-24.335.2000115M243 S274M243-P272 HydrophobicContact SD-CG 4.41Å; P272-S274 VanDerWaalsContact C-N 3.3Å
273D95.1Very high95.8Very high156 Ų15656.1 Ų56.183%0.83430%0.298SS*.THydrogen-bonded Turntrans-79.1-17.2175.3-62.2-35.8000112.3N271N271-D273 PolarHBondContact O-N 3.29Å; N271-D273 VanDerWaalsContact O-N 3.16Å; N271-D273 PolarHBondContact OD1-N 3.19Å; N271-D273 VanDerWaalsContact OD1-N 3.14Å
274S95.8Very high95.8Very high41 Ų4155.1 Ų55.129%0.28729%0.293SS..SBendtrans-89.4149.2171.8-67.40000110.4N271 P272 N279N271-S274 PolarHBondContact ND2-OG 3.12Å; N271-S274 WeakPolarHBondContact O-CB 3.5Å; N271-S274 PolarHBondContact O-N 3.13Å; P272-S274 VanDerWaalsContact C-N 3.3Å; S274-N279 PolarHBondContact O-ND2 2.88Å; S274-N279 VanDerWaalsContact O-ND2 3.12Å
275S96.5Very high95.8Very high30 Ų3055.6 Ų55.621%0.2129%0.292CS..  trans-58.3147.3171.761.50000112.1E202 L277 N278 N279E202-S275 WeakPolarHBondContact OE2-CB 3.49Å; S275-L277 VanDerWaalsContact C-N 3.26Å; S275-L277 PolarHBondContact O-N 3.03Å; S275-N278 PolarHBondContact O-N 3.43Å; S275-N278 VanDerWaalsContact OG-CB 3.22Å; S275-N278 WeakPolarHBondContact OG-CB 2.95Å; S275-N278 VanDerWaalsContact OG-CG 3.26Å; S275-N278 PolarHBondContact OG-N 2.89Å; S275-N278 PolarHBondContact OG-ND2 3.22Å; S275-N279 PolarHBondContact O-N 2.71Å; S275-N279 PolarHBondContact O-ND2 3.09Å
276V96.9Very high95.7Very high1 Ų154.3 Ų54.31%0.00628%0.276CS..Hα-helixtrans-52.9-42.8175.2175.20000112.1V199 I203 P241 P245 W270 N279 L280V199-V276 HydrophobicContact CB-CG2 4.43Å; V199-V276 HydrophobicContact CG1-CB 3.82Å; V199-V276 HydrophobicContact CG1-CG1 4.28Å; V199-V276 HydrophobicContact CG1-CG2 3.62Å; V199-V276 HydrophobicContact CG2-CG2 3.86Å; I203-V276 HydrophobicContact CD1-CG1 4.35Å; P241-V276 WeakPolarHBondContact O-CG2 3.3Å; P245-V276 HydrophobicContact CG-CG1 4.24Å; W270-V276 HydrophobicContact CH2-CG1 3.97Å; W270-V276 HydrophobicContact CZ2-CB 4.44Å; W270-V276 HydrophobicContact CZ2-CG1 4.24Å; W270-V276 HydrophobicContact CZ2-CG2 4.23Å; V276-N279 PolarHBondContact O-N 2.95Å; V276-L280 HydrophobicContact CG1-CD1 3.95Å; V276-L280 HydrophobicContact CG1-CG 4.39Å; V276-L280 WeakPolarHBondContact O-CB 3.47Å; V276-L280 WeakPolarHBondContact O-CG 3.31Å; V276-L280 PolarHBondContact O-N 3.48Å
277L96.6Very high95.5Very high14 Ų1461.6 Ų61.67%0.07331%0.31CS..Hα-helixtrans-64.7-45.7-179-178.260.5000112.5E202 K206 T207 S275 L280 R281 F288E202-L277 HydrophobicContact CG-CB 4.48Å; E202-L277 HydrophobicContact CG-CD2 4.14Å; K206-L277 HydrophobicContact CB-CD2 3.62Å; K206-L277 HydrophobicContact CD-CD2 3.87Å; K206-L277 HydrophobicContact CG-CD2 4.36Å; T207-L277 HydrophobicContact CG2-CD1 3.45Å; T207-L277 VanDerWaalsContact CG2-CD1 3.45Å; T207-L277 HydrophobicContact CG2-CD2 3.94Å; T207-L277 HydrophobicContact CG2-CG 4.36Å; S275-L277 VanDerWaalsContact C-N 3.26Å; S275-L277 PolarHBondContact O-N 3.03Å; L277-L280 PolarHBondContact O-N 3.07Å; L277-R281 WeakPolarHBondContact O-CB 3.17Å; L277-R281 PolarHBondContact O-N 3.36Å; L277-F288 HydrophobicContact CD1-CD1 4.46Å; L277-F288 HydrophobicContact CD1-CD2 3.76Å; L277-F288 HydrophobicContact CD1-CE2 3.91Å; L277-F288 HydrophobicContact CD1-CG 4.05Å; L277-F288 HydrophobicContact CD1-CZ 4.33Å
278N96.6Very high95.5Very high55 Ų5558.4 Ų58.429%0.29429%0.293SS..Hα-helixtrans-62.8-42.6174.7-72.8-46.5000111.8S275 L280 R281 D282S275-N278 PolarHBondContact O-N 3.43Å; S275-N278 VanDerWaalsContact OG-CB 3.22Å; S275-N278 WeakPolarHBondContact OG-CB 2.95Å; S275-N278 VanDerWaalsContact OG-CG 3.26Å; S275-N278 PolarHBondContact OG-N 2.89Å; S275-N278 PolarHBondContact OG-ND2 3.22Å; N278-L280 VanDerWaalsContact C-N 3.35Å; N278-L280 PolarHBondContact O-N 2.88Å; N278-R281 WeakPolarHBondContact O-CB 3.39Å; N278-R281 PolarHBondContact O-N 2.84Å; N278-R281 VanDerWaalsContact OD1-CZ 3.31Å; N278-R281 PolarHBondContact OD1-NH1 3.49Å; N278-R281 PolarHBondContact OD1-NH2 3.29Å; N278-D282 PolarHBondContact O-N 3.42Å
279N97.5Very high95.4Very high5 Ų551.5 Ų51.53%0.02726%0.262CS..Hα-helixtrans-58.8-46.5175-79-52.2000111.5W270 N271 S274 S275 V276 R281 D282 V283W270-N279 HydrophobicContact CD2-CB 3.82Å; W270-N279 HydrophobicContact CE3-CB 3.54Å; W270-N279 HydrophobicContact CH2-CB 3.65Å; W270-N279 HydrophobicContact CZ2-CB 3.92Å; W270-N279 HydrophobicContact CZ3-CB 3.45Å; W270-N279 VanDerWaalsContact CZ3-CB 3.45Å; N271-N279 PolarHBondContact N-OD1 2.79Å; N271-N279 PolarHBondContact O-ND2 3.08Å; N271-N279 PolarHBondContact O-OD1 3.44Å; S274-N279 PolarHBondContact O-ND2 2.88Å; S274-N279 VanDerWaalsContact O-ND2 3.12Å; S275-N279 PolarHBondContact O-N 2.71Å; S275-N279 PolarHBondContact O-ND2 3.09Å; V276-N279 PolarHBondContact O-N 2.95Å; N279-R281 VanDerWaalsContact C-N 3.31Å; N279-R281 PolarHBondContact O-N 3.37Å; N279-D282 PolarHBondContact O-N 3.28Å; N279-V283 VanDerWaalsContact O-CB 3.25Å; N279-V283 WeakPolarHBondContact O-CB 3.4Å; N279-V283 WeakPolarHBondContact O-CG2 3.48Å; N279-V283 PolarHBondContact O-N 3.46Å
280L96.9Very high94.9Very high0 Ų048.1 Ų48.10%025%0.248CC..Hα-helixtrans-61-40.5177.3-73.1170.7000112I232 V234 W270 V276 L277 N278 L284 F288I232-L280 HydrophobicContact CD1-CD2 4.48Å; V234-L280 HydrophobicContact CG1-CD1 4.32Å; V234-L280 HydrophobicContact CG2-CD1 3.99Å; W270-L280 HydrophobicContact CH2-CD2 4.25Å; W270-L280 HydrophobicContact CH2-CG 4.08Å; W270-L280 HydrophobicContact CZ3-CD2 3.98Å; W270-L280 HydrophobicContact CZ3-CG 4.1Å; V276-L280 HydrophobicContact CG1-CD1 3.95Å; V276-L280 HydrophobicContact CG1-CG 4.39Å; V276-L280 WeakPolarHBondContact O-CB 3.47Å; V276-L280 WeakPolarHBondContact O-CG 3.31Å; V276-L280 PolarHBondContact O-N 3.48Å; L277-L280 PolarHBondContact O-N 3.07Å; N278-L280 VanDerWaalsContact C-N 3.35Å; N278-L280 PolarHBondContact O-N 2.88Å; L280-L284 WeakPolarHBondContact O-CB 3.43Å; L280-L284 VanDerWaalsContact O-CG 3.3Å; L280-L284 WeakPolarHBondContact O-CG 3.42Å; L280-L284 PolarHBondContact O-N 2.83Å; L280-F288 HydrophobicContact CB-CE2 3.99Å; L280-F288 HydrophobicContact CB-CZ 3.94Å
281R96.4Very high94.2Very high99 Ų9949.9 Ų49.937%0.37426%0.263SS..Hα-helixtrans-59.2-48.7176.2-172.2-164.860.1-147.5-10.7111.1L277 N278 N279 E285 I286 F288L277-R281 WeakPolarHBondContact O-CB 3.17Å; L277-R281 PolarHBondContact O-N 3.36Å; N278-R281 WeakPolarHBondContact O-CB 3.39Å; N278-R281 PolarHBondContact O-N 2.84Å; N278-R281 VanDerWaalsContact OD1-CZ 3.31Å; N278-R281 PolarHBondContact OD1-NH1 3.49Å; N278-R281 PolarHBondContact OD1-NH2 3.29Å; N279-R281 VanDerWaalsContact C-N 3.31Å; N279-R281 PolarHBondContact O-N 3.37Å; R281-E285 VanDerWaalsContact O-CA 3.25Å; R281-E285 WeakPolarHBondContact O-CA 3Å; R281-E285 PolarHBondContact O-N 3.26Å; R281-I286 WeakPolarHBondContact CG-O 3.24Å; R281-I286 PolarHBondContact O-N 3.4Å; R281-F288 HydrophobicContact CB-CD2 4.39Å; R281-F288 HydrophobicContact CB-CE2 4.32Å
282D95.9Very high93.4Very high80 Ų8051.7 Ų51.743%0.42829%0.286SS..Hα-helixtrans-74.7-39.4-174.1-59.9-12.9000111.2N278 N279 E285N278-D282 PolarHBondContact O-N 3.42Å; N279-D282 PolarHBondContact O-N 3.28Å; D282-E285 WeakPolarHBondContact O-CG 3.16Å; D282-E285 PolarHBondContact O-N 3.05Å
283V96.4Very high92.5Very high2 Ų253.5 Ų53.51%0.01230%0.297CS..Hα-helixtrans-68.4-42.3178.3167.70000112L263 N266 W270 N279 E285L263-V283 HydrophobicContact CD1-CG1 3.57Å; N266-V283 HydrophobicContact CB-CB 4.31Å; N266-V283 HydrophobicContact CB-CG1 3.97Å; N266-V283 HydrophobicContact CB-CG2 4.46Å; N266-V283 WeakPolarHBondContact CB-O 3.35Å; N266-V283 PolarHBondContact ND2-O 3.16Å; W270-V283 HydrophobicContact CE3-CG2 4.32Å; N279-V283 VanDerWaalsContact O-CB 3.25Å; N279-V283 WeakPolarHBondContact O-CB 3.4Å; N279-V283 WeakPolarHBondContact O-CG2 3.48Å; N279-V283 PolarHBondContact O-N 3.46Å; V283-E285 VanDerWaalsContact C-N 3.34Å
284L95Very high91.8Very high0 Ų050.1 Ų50.10%028%0.276CS..Hα-helixtrans-82.7-15.1177.7-63.9171.6000112.8I232 K262 L263 L280 I286 F288I232-L284 HydrophobicContact CD1-CD1 3.81Å; K262-L284 WeakPolarHBondContact CD-O 3.28Å; L263-L284 HydrophobicContact CB-CD2 3.9Å; L263-L284 HydrophobicContact CD1-CD2 4.26Å; L280-L284 WeakPolarHBondContact O-CB 3.43Å; L280-L284 VanDerWaalsContact O-CG 3.3Å; L280-L284 WeakPolarHBondContact O-CG 3.42Å; L280-L284 PolarHBondContact O-N 2.83Å; L284-I286 VanDerWaalsContact C-N 3.33Å; L284-I286 HydrophobicContact CB-CD1 4.06Å; L284-I286 HydrophobicContact CB-CG1 3.86Å; L284-I286 HydrophobicContact CB-CG2 4.23Å; L284-I286 HydrophobicContact CD1-CD1 3.88Å; L284-I286 HydrophobicContact CD1-CG1 4.48Å; L284-I286 WeakPolarHBondContact O-CG2 3.33Å; L284-I286 PolarHBondContact O-N 3.02Å; L284-F288 HydrophobicContact CD1-CZ 4.39Å
285E95.4Very high90.9Very high111 Ų11154.9 Ų54.952%0.51929%0.294SS..THydrogen-bonded Turntrans51.251.1-173.5-55.6166.5-171.900111.6K262 N266 R281 D282 V283K262-E285 HydrophobicContact CD-CB 4.2Å; K262-E285 HydrophobicContact CD-CG 4.45Å; K262-E285 WeakPolarHBondContact CE-OE2 3.36Å; K262-E285 IonicContact NZ-OE2 2.88Å; K262-E285 PolarHBondContact NZ-OE2 3.01Å; N266-E285 PolarHBondContact ND2-OE1 3.42Å; R281-E285 VanDerWaalsContact O-CA 3.25Å; R281-E285 WeakPolarHBondContact O-CA 3Å; R281-E285 PolarHBondContact O-N 3.26Å; D282-E285 WeakPolarHBondContact O-CG 3.16Å; D282-E285 PolarHBondContact O-N 3.05Å; V283-E285 VanDerWaalsContact C-N 3.34Å
286I93.9Very high89.8Confident33 Ų3357.8 Ų57.817%0.16930%0.302CS..  trans-128163.7178.965.2175.9000110.4I226 L259 R281 L284 F288I226-I286 HydrophobicContact CB-CD1 3.85Å; I226-I286 HydrophobicContact CD1-CD1 4.47Å; I226-I286 HydrophobicContact CG2-CD1 3.68Å; L259-I286 HydrophobicContact CD2-CG2 3.73Å; R281-I286 WeakPolarHBondContact CG-O 3.24Å; R281-I286 PolarHBondContact O-N 3.4Å; L284-I286 VanDerWaalsContact C-N 3.33Å; L284-I286 HydrophobicContact CB-CD1 4.06Å; L284-I286 HydrophobicContact CB-CG1 3.86Å; L284-I286 HydrophobicContact CB-CG2 4.23Å; L284-I286 HydrophobicContact CD1-CD1 3.88Å; L284-I286 HydrophobicContact CD1-CG1 4.48Å; L284-I286 WeakPolarHBondContact O-CG2 3.33Å; L284-I286 PolarHBondContact O-N 3.02Å; I286-F288 HydrophobicContact CD1-CE1 4.34Å; I286-F288 HydrophobicContact CD1-CE2 4.15Å; I286-F288 HydrophobicContact CD1-CZ 4.06Å; I286-F288 HydrophobicContact CG1-CD2 4.45Å; I286-F288 HydrophobicContact CG1-CE2 4.23Å
287E92.1Very high88.6Confident174 Ų17461.6 Ų61.681%0.81333%0.329SS*.PPolyproline II helixtrans-102.2131.1161.6-65.9-172.2167.800109.1
288F92.7Very high87.5Confident30 Ų3063.2 Ų63.213%0.13234%0.341CS..PPolyproline II helixtrans-75.8130.8177.2-80-90.5000110.3T207 I224 I226 I232 L277 L280 R281 L284 I286 S290T207-F288 HydrophobicContact CG2-CB 4.14Å; T207-F288 HydrophobicContact CG2-CD1 4.14Å; T207-F288 HydrophobicContact CG2-CG 4.21Å; I224-F288 HydrophobicContact CG2-CD1 3.77Å; I224-F288 HydrophobicContact CG2-CE1 3.92Å; I226-F288 HydrophobicContact CG2-CD1 3.86Å; I226-F288 HydrophobicContact CG2-CE1 3.5Å; I226-F288 VanDerWaalsContact CG2-CE1 3.5Å; I226-F288 HydrophobicContact CG2-CZ 4.31Å; I232-F288 HydrophobicContact CG2-CE1 4.18Å; L277-F288 HydrophobicContact CD1-CD1 4.46Å; L277-F288 HydrophobicContact CD1-CD2 3.76Å; L277-F288 HydrophobicContact CD1-CE2 3.91Å; L277-F288 HydrophobicContact CD1-CG 4.05Å; L277-F288 HydrophobicContact CD1-CZ 4.33Å; L280-F288 HydrophobicContact CB-CE2 3.99Å; L280-F288 HydrophobicContact CB-CZ 3.94Å; R281-F288 HydrophobicContact CB-CD2 4.39Å; R281-F288 HydrophobicContact CB-CE2 4.32Å; L284-F288 HydrophobicContact CD1-CZ 4.39Å; I286-F288 HydrophobicContact CD1-CE1 4.34Å; I286-F288 HydrophobicContact CD1-CE2 4.15Å; I286-F288 HydrophobicContact CD1-CZ 4.06Å; I286-F288 HydrophobicContact CG1-CD2 4.45Å; I286-F288 HydrophobicContact CG1-CE2 4.23Å; F288-S290 PolarHBondContact O-N 2.88Å
289P90.2Very high86.4Confident7 Ų761.4 Ų61.45%0.04533%0.331CS..PPolyproline II helixtrans-57133166.3-21.331.3000110.8T207 W208 A225 F299T207-P289 CarbonylContact C-O 3.6Å; T207-P289 WeakPolarHBondContact CA-O 3.41Å; W208-P289 PolarHBondContact N-O 3.44Å; W208-P289 VanDerWaalsContact N-O 3.12Å; A225-P289 WeakPolarHBondContact O-CD 3.44Å; P289-F299 HydrophobicContact CB-CE1 4.26Å; P289-F299 HydrophobicContact CB-CE2 3.8Å; P289-F299 HydrophobicContact CB-CZ 3.43Å; P289-F299 VanDerWaalsContact CB-CZ 3.43Å; P289-F299 HydrophobicContact CG-CE1 4.08Å; P289-F299 HydrophobicContact CG-CE2 4.5Å; P289-F299 HydrophobicContact CG-CZ 3.72Å
290S85.4Confident85.3Confident25 Ų2563 Ų6318%0.17534%0.339CS..  trans-118.7153.6178.174.40000111.5K206 F288 A292 T293 H294K206-S290 WeakPolarHBondContact O-CB 3.45Å; F288-S290 PolarHBondContact O-N 2.88Å; S290-A292 PolarHBondContact O-N 3.32Å; S290-A292 VanDerWaalsContact O-N 3.07Å; S290-T293 PolarHBondContact N-OG1 2.83Å; S290-T293 VanDerWaalsContact N-OG1 3.17Å; S290-T293 PolarHBondContact O-N 3.43Å; S290-T293 PolarHBondContact O-OG1 3.5Å; S290-T293 PolarHBondContact OG-N 3.27Å; S290-T293 PolarHBondContact OG-OG1 2.94Å; S290-H294 PolarHBondContact O-N 3.25Å
291P81.3Confident84.6Confident68 Ų6865.2 Ų65.244%0.44235%0.353SS..THydrogen-bonded Turntrans-57.5-21.8174.1-23.231.7000114.1W208W208-P291 HydrophobicContact CE3-CB 4.27Å; W208-P291 HydrophobicContact CE3-CG 3.9Å; W208-P291 HydrophobicContact CZ3-CB 4.1Å; W208-P291 HydrophobicContact CZ3-CG 4.06Å
292A80.3Confident84.2Confident99 Ų9965.4 Ų65.482%0.81836%0.358SS*.THydrogen-bonded Turntrans-78.9-21.2176.600000113.3S290S290-A292 PolarHBondContact O-N 3.32Å; S290-A292 VanDerWaalsContact O-N 3.07Å
293T76.1Confident84Confident93 Ų9361.6 Ų61.657%0.57134%0.338SS*.THydrogen-bonded Turntrans-112-22.4-173.151.30000113.1S290S290-T293 PolarHBondContact N-OG1 2.83Å; S290-T293 VanDerWaalsContact N-OG1 3.17Å; S290-T293 PolarHBondContact O-N 3.43Å; S290-T293 PolarHBondContact O-OG1 3.5Å; S290-T293 PolarHBondContact OG-N 3.27Å; S290-T293 PolarHBondContact OG-OG1 2.94Å
294H80.6Confident83.7Confident85 Ų8561.7 Ų61.739%0.39434%0.339SS..SBendtrans-136.1147-173.3-62.577.7000112.4S290 F299S290-H294 PolarHBondContact O-N 3.25Å; H294-F299 HydrophobicContact CB-CE2 3.57Å; H294-F299 HydrophobicContact CB-CZ 3.98Å; H294-F299 AromaticContact CD2-CZ 3.77Å; H294-F299 AromaticContact CG-CZ 3.93Å
295E76.6Confident83.7Confident142 Ų14263.7 Ų63.766%0.66435%0.349SS*.  trans-85.1145.7174.2-65-174.4178.900112.2S297 S298E295-S297 WeakPolarHBondContact CB-OG 3.1Å; E295-S297 PolarHBondContact O-N 3.03Å; E295-S297 VanDerWaalsContact O-N 3.13Å; E295-S297 PolarHBondContact OE2-OG 3.5Å; E295-S298 VanDerWaalsContact O-CB 3.26Å; E295-S298 WeakPolarHBondContact O-CB 3.35Å; E295-S298 PolarHBondContact O-N 3.31Å; E295-S298 PolarHBondContact O-OG 3Å
296K72.5Confident83.6Confident91 Ų9160.7 Ų60.740%0.39634%0.34SS..G310 helixtrans-51.4-35.4177.2177.3154.8-168.3178.20113.6W208 E213 S298 F299 N300W208-K296 HydrophobicContact CH2-CB 3.53Å; W208-K296 HydrophobicContact CH2-CD 3.8Å; W208-K296 HydrophobicContact CH2-CG 3.84Å; W208-K296 HydrophobicContact CZ2-CB 3.42Å; W208-K296 VanDerWaalsContact CZ2-CB 3.42Å; W208-K296 HydrophobicContact CZ2-CD 3.56Å; W208-K296 HydrophobicContact CZ2-CG 3.34Å; E213-K296 IonicContact OE1-NZ 3.76Å; E213-K296 PolarHBondContact OE1-NZ 3.34Å; K296-S298 PolarHBondContact O-N 2.87Å; K296-F299 PolarHBondContact O-N 3.09Å; K296-N300 WeakPolarHBondContact CE-ND2 3.47Å; K296-N300 PolarHBondContact O-N 3.01Å
297S71.5Confident83.4Confident81 Ų8166.4 Ų66.457%0.56636%0.36SS*.G310 helixtrans-59.6-26177.949.70000113.4E295 F299E295-S297 WeakPolarHBondContact CB-OG 3.1Å; E295-S297 PolarHBondContact O-N 3.03Å; E295-S297 VanDerWaalsContact O-N 3.13Å; E295-S297 PolarHBondContact OE2-OG 3.5Å; S297-F299 VanDerWaalsContact C-N 3.29Å; S297-F299 PolarHBondContact O-N 3.04Å
298S73.3Confident83.3Confident47 Ų4760.3 Ų60.333%0.32934%0.337SS..G310 helixtrans-70.3-25.7-176.9-45.70000113.1E295 K296E295-S298 VanDerWaalsContact O-CB 3.26Å; E295-S298 WeakPolarHBondContact O-CB 3.35Å; E295-S298 PolarHBondContact O-N 3.31Å; E295-S298 PolarHBondContact O-OG 3Å; K296-S298 PolarHBondContact O-N 2.87Å
299F74.8Confident82.9Confident17 Ų1760.4 Ų60.48%0.07534%0.337CS..THydrogen-bonded Turntrans-116.5-15.6-173.5-53.5-64.7000113.6W208 L210 A225 P289 H294 K296 S297 V301W208-F299 HydrophobicContact CB-CD2 4.3Å; W208-F299 HydrophobicContact CB-CE2 4.44Å; W208-F299 AromaticContact CD1-CD2 3.41Å; W208-F299 VanDerWaalsContact CD1-CD2 3.41Å; W208-F299 AromaticContact CD1-CG 3.78Å; W208-F299 HydrophobicContact CD2-CD2 4.25Å; W208-F299 AromaticContact CG-CD2 3.7Å; W208-F299 HydrophobicContact CG-CD2 3.7Å; W208-F299 HydrophobicContact CG-CE2 4.23Å; W208-F299 HydrophobicContact CG-CG 4.44Å; W208-F299 AromaticContact NE1-CD2 3.84Å; L210-F299 HydrophobicContact CD2-CB 4.12Å; A225-F299 HydrophobicContact CB-CB 4.13Å; A225-F299 HydrophobicContact CB-CD1 3.81Å; A225-F299 HydrophobicContact CB-CD2 4.4Å; A225-F299 HydrophobicContact CB-CE1 4.36Å; A225-F299 HydrophobicContact CB-CG 3.85Å; P289-F299 HydrophobicContact CB-CE1 4.26Å; P289-F299 HydrophobicContact CB-CE2 3.8Å; P289-F299 HydrophobicContact CB-CZ 3.43Å; P289-F299 VanDerWaalsContact CB-CZ 3.43Å; P289-F299 HydrophobicContact CG-CE1 4.08Å; P289-F299 HydrophobicContact CG-CE2 4.5Å; P289-F299 HydrophobicContact CG-CZ 3.72Å; H294-F299 HydrophobicContact CB-CE2 3.57Å; H294-F299 HydrophobicContact CB-CZ 3.98Å; H294-F299 AromaticContact CD2-CZ 3.77Å; H294-F299 AromaticContact CG-CZ 3.93Å; K296-F299 PolarHBondContact O-N 3.09Å; S297-F299 VanDerWaalsContact C-N 3.29Å; S297-F299 PolarHBondContact O-N 3.04Å; F299-V301 PolarHBondContact O-N 3.35Å
300N75.1Confident82.7Confident39 Ų3963.5 Ų63.521%0.20935%0.347CS..  trans-83.962.1176.3-7812000111.4K296 E302 Y309K296-N300 WeakPolarHBondContact CE-ND2 3.47Å; K296-N300 PolarHBondContact O-N 3.01Å; N300-E302 PolarHBondContact O-N 3.39Å; N300-Y309 HydrophobicContact CB-CD1 4.37Å; N300-Y309 HydrophobicContact CB-CD2 4.01Å; N300-Y309 HydrophobicContact CB-CE2 4.21Å; N300-Y309 HydrophobicContact CB-CG 4.09Å
301V80.4Confident82.8Confident46 Ų4665.7 Ų65.728%0.27936%0.357SS..PPolyproline II helixtrans-77.8123.2-178.4-172.60000110.1N229 F299 P328N229-V301 WeakPolarHBondContact OD1-CB 3.5Å; N229-V301 WeakPolarHBondContact OD1-CG2 3.42Å; F299-V301 PolarHBondContact O-N 3.35Å; V301-P328 HydrophobicContact CB-CG 3.92Å; V301-P328 HydrophobicContact CG1-CG 3.42Å; V301-P328 VanDerWaalsContact CG1-CG 3.42Å
302E87.8Confident82.9Confident104 Ų10470.7 Ų70.749%0.48637%0.374SS..PPolyproline II helixtrans-68.5149.6-176.9-65.1174.3174.200112.2N300 G304 Q327N300-E302 PolarHBondContact O-N 3.39Å; E302-G304 PolarHBondContact O-N 3.25Å; E302-Q327 PolarHBondContact O-NE2 3.1Å
303C91.9Very high82.9Confident0 Ų072.5 Ų72.50%037%0.37CS..PPolyproline II helixtrans-60.4130.7171.2178.30000110.5I305 C306 Y307 S308 P316 P328 H330C303-I305 PolarHBondContact O-N 3.49Å; C303-C306 WeakPolarHBondContact CB-SG 3.39Å; C303-C306 VanDerWaalsContact SG-SG 3.66Å; C303-Y307 VanDerWaalsContact O-CA 3.3Å; C303-Y307 WeakPolarHBondContact O-CA 3.36Å; C303-Y307 PolarHBondContact O-N 3.34Å; C303-S308 WeakPolarHBondContact CB-O 3.26Å; C303-S308 PolarHBondContact N-O 2.96Å; C303-P316 HydrophobicContact CB-CG 3.89Å; C303-P328 WeakPolarHBondContact CA-O 3.42Å; C303-H330 VanDerWaalsContact CB-ND1 3.26Å; C303-H330 WeakPolarHBondContact CB-ND1 3.45Å; C303-H330 PolarHBondContact SG-N 3.2Å; C303-H330 VanDerWaalsContact SG-N 3.38Å; C303-H330 PolarHBondContact SG-ND1 3.42Å
304G91Very high83.2Confident4 Ų470.4 Ų70.44%0.04136%0.362CS..THydrogen-bonded Turntrans-65.4-7.5179.200000115.1E302 Q327 P328 Y357E302-G304 PolarHBondContact O-N 3.25Å; G304-Q327 VanDerWaalsContact CA-NE2 3.32Å; G304-P328 PolarHBondContact N-O 2.99Å; G304-Y357 WeakPolarHBondContact CA-OH 3.42Å; G304-Y357 WeakPolarHBondContact O-CE2 3.48Å; G304-Y357 PolarHBondContact O-OH 3.27Å
305I94.1Very high83.5Confident42 Ų4266.6 Ų66.622%0.21535%0.345CS..THydrogen-bonded Turntrans-106.8-52.9-178.6-67.4161.9000111.5C303 Y307 F329 C333 L334 W337 P356C303-I305 PolarHBondContact O-N 3.49Å; I305-Y307 WeakPolarHBondContact O-CD2 3.42Å; I305-Y307 WeakPolarHBondContact O-CE2 3.43Å; I305-F329 HydrophobicContact CD1-CD1 3.67Å; I305-F329 HydrophobicContact CD1-CE1 4.2Å; I305-F329 HydrophobicContact CD1-CG 4.45Å; I305-F329 HydrophobicContact CG1-CD1 3.72Å; I305-F329 HydrophobicContact CG1-CE1 3.97Å; I305-C333 HydrophobicContact CB-CB 4.03Å; I305-C333 HydrophobicContact CD1-CB 4.03Å; I305-C333 HydrophobicContact CG2-CB 4.09Å; I305-L334 HydrophobicContact CD1-CB 4.48Å; I305-L334 HydrophobicContact CD1-CD1 4.48Å; I305-W337 HydrophobicContact CD1-CB 3.9Å; I305-W337 HydrophobicContact CD1-CG 4.27Å; I305-P356 HydrophobicContact CD1-CG 4.33Å; I305-P356 HydrophobicContact CG1-CG 4.39Å
306C93.5Very high84.1Confident47 Ų4760.4 Ų60.432%0.31832%0.317SS..THydrogen-bonded Turntrans-94.7-4.9-176.868.20000113.7C303 S308 H330C303-C306 WeakPolarHBondContact CB-SG 3.39Å; C303-C306 VanDerWaalsContact SG-SG 3.66Å; C306-S308 PolarHBondContact O-N 3.49Å; C306-S308 VanDerWaalsContact O-N 3.1Å; C306-H330 PolarHBondContact SG-ND1 3.46Å
307Y91.1Very high84.7Confident154 Ų15458.3 Ų58.360%0.60431%0.31SS*.  trans5232.9-179.7-51-79.6000113C303 I305C303-Y307 VanDerWaalsContact O-CA 3.3Å; C303-Y307 WeakPolarHBondContact O-CA 3.36Å; C303-Y307 PolarHBondContact O-N 3.34Å; I305-Y307 WeakPolarHBondContact O-CD2 3.42Å; I305-Y307 WeakPolarHBondContact O-CE2 3.43Å
308S89.1Confident85.5Confident45 Ų4556.4 Ų56.432%0.31529%0.292SS..  trans-125.1141.3173.5-177.90000108.6C303 C306 R310 H330C303-S308 WeakPolarHBondContact CB-O 3.26Å; C303-S308 PolarHBondContact N-O 2.96Å; C306-S308 PolarHBondContact O-N 3.49Å; C306-S308 VanDerWaalsContact O-N 3.1Å; S308-R310 VanDerWaalsContact C-N 3.32Å; S308-R310 PolarHBondContact OG-N 2.78Å; S308-R310 VanDerWaalsContact OG-N 3.09Å; S308-R310 PolarHBondContact OG-O 3Å; S308-H330 PolarHBondContact O-CE1 3Å; S308-H330 VanDerWaalsContact O-CE1 3.25Å
309Y84.5Confident86.4Confident33 Ų3355.1 Ų55.113%0.12928%0.282CS..SBendtrans-71.8-29.3167.5175.5-110000111.6N300 I315 P316 H330N300-Y309 HydrophobicContact CB-CD1 4.37Å; N300-Y309 HydrophobicContact CB-CD2 4.01Å; N300-Y309 HydrophobicContact CB-CE2 4.21Å; N300-Y309 HydrophobicContact CB-CG 4.09Å; Y309-I315 HydrophobicContact CE1-CG2 3.97Å; Y309-I315 HydrophobicContact CE2-CB 4.14Å; Y309-I315 HydrophobicContact CE2-CD1 4.32Å; Y309-I315 HydrophobicContact CE2-CG2 4.31Å; Y309-I315 WeakPolarHBondContact OH-CD1 3.43Å; Y309-P316 WeakPolarHBondContact O-CD 3.48Å; Y309-H330 PolarHBondContact O-NE2 3.26Å
310R86.5Confident87.1Confident71 Ų7154.3 Ų54.327%0.26828%0.278SS..  trans-128124.3-176.1-173.4153.2-97.3148.4-1.6111.4E213 S308 E312E213-R310 IonicContact OE2-CZ 3.77Å; E213-R310 IonicContact OE2-NH1 2.78Å; E213-R310 PolarHBondContact OE2-NH1 3.04Å; S308-R310 VanDerWaalsContact C-N 3.32Å; S308-R310 PolarHBondContact OG-N 2.78Å; S308-R310 VanDerWaalsContact OG-N 3.09Å; S308-R310 PolarHBondContact OG-O 3Å; R310-E312 WeakPolarHBondContact CD-O 3.36Å; R310-E312 WeakPolarHBondContact CG-O 3.49Å
311L85.9Confident87.8Confident71 Ų7155.6 Ų55.637%0.37229%0.285SS..BIsolated β-bridgetrans-120.199.9172.4-175.969.7000106.7D313 A314L311-D313 PolarHBondContact O-N 3.14Å; L311-A314 PolarHBondContact N-O 3.19Å; L311-A314 PolarHBondContact O-N 3.35Å
312E84.9Confident88.3Confident174 Ų17454.6 Ų54.681%0.81328%0.278SS*.THydrogen-bonded Turntrans55.9-118.9-167.4-56.2175.2177.700110.7R310R310-E312 WeakPolarHBondContact CD-O 3.36Å; R310-E312 WeakPolarHBondContact CG-O 3.49Å
313D79.1Confident88.2Confident136 Ų13654.2 Ų54.273%0.72729%0.285SS*.THydrogen-bonded Turntrans-91.9-3.3177.6-62.3-39.9000113.2L311L311-D313 PolarHBondContact O-N 3.14Å
314A83.4Confident88Confident49 Ų4964.1 Ų64.141%0.40532%0.322SS..BIsolated β-bridgetrans-95.3142.9-17500000113L311 H330L311-A314 PolarHBondContact N-O 3.19Å; L311-A314 PolarHBondContact O-N 3.35Å; A314-H330 PolarHBondContact O-CD2 2.98Å; A314-H330 PolarHBondContact O-NE2 3.06Å
315I87Confident87.9Confident6 Ų665.5 Ų65.53%0.03133%0.331CS..  trans-115.5161.9168.873.6173.2000111.1L210 E211 Y309 D317 H330L210-I315 HydrophobicContact CB-CD1 4.09Å; L210-I315 HydrophobicContact CD1-CD1 4.48Å; E211-I315 VanDerWaalsContact CD-CD1 3.47Å; E211-I315 HydrophobicContact CG-CD1 3.7Å; E211-I315 HydrophobicContact CG-CG1 4.28Å; E211-I315 HydrophobicContact CG-CG2 4.46Å; E211-I315 WeakPolarHBondContact OE2-CD1 3.28Å; E211-I315 WeakPolarHBondContact OE2-CG1 3.48Å; Y309-I315 HydrophobicContact CE1-CG2 3.97Å; Y309-I315 HydrophobicContact CE2-CB 4.14Å; Y309-I315 HydrophobicContact CE2-CD1 4.32Å; Y309-I315 HydrophobicContact CE2-CG2 4.31Å; Y309-I315 WeakPolarHBondContact OH-CD1 3.43Å; I315-D317 PolarHBondContact O-N 3.29Å; I315-H330 PolarHBondContact O-CD2 3.35Å
316P88.3Confident87.5Confident12 Ų1264.2 Ų64.28%0.07833%0.329CS..  trans-60.7120178.2-26.837.8000111.5R223 C303 Y309 P328 F329 H330R223-P316 PolarHBondContact NH2-O 2.99Å; C303-P316 HydrophobicContact CB-CG 3.89Å; Y309-P316 WeakPolarHBondContact O-CD 3.48Å; P316-P328 HydrophobicContact CB-CB 3.73Å; P316-P328 HydrophobicContact CB-CG 4.32Å; P316-F329 WeakPolarHBondContact CA-O 3.21Å; P316-H330 WeakPolarHBondContact CD-NE2 3.46Å
317D85Confident87.4Confident46 Ų4664.1 Ų64.125%0.24632%0.323CS..  trans-129.4-13.8-176.270.5-31.4000112.6I315 F329 Q331I315-D317 PolarHBondContact O-N 3.29Å; D317-F329 PolarHBondContact N-O 2.74Å; D317-F329 VanDerWaalsContact N-O 3.14Å; D317-Q331 PolarHBondContact OD1-N 2.88Å
318Q89.3Confident87.4Confident41 Ų4157 Ų5719%0.19230%0.296CS..EExtended strand (participates in β ladder)trans-95.3113.1174.5-56.1-54.5-49.700109.8P328 F329 Q331 L334 V364Q318-P328 CarbonylContact O-C 3.57Å; Q318-P328 WeakPolarHBondContact O-CA 3.37Å; Q318-F329 HydrophobicContact CB-CB 4.45Å; Q318-F329 WeakPolarHBondContact CB-O 3.43Å; Q318-F329 PolarHBondContact N-O 2.93Å; Q318-F329 PolarHBondContact O-N 3.38Å; Q318-Q331 HydrophobicContact CG-CB 4Å; Q318-Q331 HydrophobicContact CG-CG 4.42Å; Q318-L334 HydrophobicContact CB-CD2 3.89Å; Q318-L334 HydrophobicContact CG-CD2 4.42Å; Q318-V364 HydrophobicContact CG-CG2 4.11Å
319V90.8Very high87.6Confident20 Ų2054.9 Ų54.912%0.12128%0.281CS..EExtended strand (participates in β ladder)trans-110.3137.8-176.5-172.20000110.2N229 A252 N321 G326 P328N229-V319 HydrophobicContact CB-CG1 4.5Å; A252-V319 HydrophobicContact CB-CG1 4.05Å; V319-N321 PolarHBondContact O-N 2.87Å; V319-G326 WeakPolarHBondContact CG1-O 3.18Å; V319-P328 HydrophobicContact CG2-CB 4.21Å
320C91.4Very high87.9Confident0 Ų053.3 Ų53.30%028%0.275CS..  trans-62.4128.2171.3-176.10000111.1D322 C325 Q327 I362C320-D322 VanDerWaalsContact C-N 3.33Å; C320-D322 PolarHBondContact O-N 2.68Å; C320-C325 HydrophobicContact CB-CB 4.18Å; C320-Q327 PolarHBondContact N-O 3.16Å; C320-I362 HydrophobicContact CB-CD1 4.29Å
321N89.8Confident88.2Confident66 Ų6652.4 Ų52.435%0.35327%0.274SS..  trans-75.4-14.1-178.2-81.2-26.8000114.8D253 H254 V319 P323D253-N321 PolarHBondContact N-OD1 3.32Å; D253-N321 PolarHBondContact OD2-ND2 3.04Å; H254-N321 PolarHBondContact ND1-O 3.14Å; V319-N321 PolarHBondContact O-N 2.87Å; N321-P323 WeakPolarHBondContact O-CD 3.42Å
322D89.4Confident88.5Confident25 Ų2551.3 Ų51.313%0.13428%0.275CS..SBendtrans-67.8122.5175.9-172.6-70.9000109.5C320 R324 C325 G326 K360C320-D322 VanDerWaalsContact C-N 3.33Å; C320-D322 PolarHBondContact O-N 2.68Å; D322-R324 PolarHBondContact O-N 2.94Å; D322-R324 WeakPolarHBondContact OD1-CB 3.33Å; D322-R324 PolarHBondContact OD1-N 3Å; D322-R324 IonicContact OD1-NE 3.52Å; D322-R324 PolarHBondContact OD1-NE 2.93Å; D322-R324 IonicContact OD2-NH2 2.7Å; D322-C325 HydrophobicContact CB-CB 4.15Å; D322-C325 PolarHBondContact O-N 2.91Å; D322-G326 PolarHBondContact O-N 3.06Å; D322-G326 VanDerWaalsContact O-N 3.16Å; D322-K360 HydrophobicContact CB-CB 4.14Å; D322-K360 HydrophobicContact CB-CG 3.95Å; D322-K360 WeakPolarHBondContact OD2-CE 3.37Å; D322-K360 WeakPolarHBondContact OD2-CG 3.3Å
323P85.4Confident88.9Confident97 Ų9743.8 Ų43.863%0.6324%0.242SC*.THydrogen-bonded Turntrans-60.1-19.3-176-25.734.6000115.1N321N321-P323 WeakPolarHBondContact O-CD 3.42Å
324R87.9Confident89.7Confident207 Ų20737.3 Ų37.378%0.78121%0.207SC*.THydrogen-bonded Turntrans-92.1-7.8178.1-57.4171.5-65.6171.72.7112.7D322D322-R324 PolarHBondContact O-N 2.94Å; D322-R324 WeakPolarHBondContact OD1-CB 3.33Å; D322-R324 PolarHBondContact OD1-N 3Å; D322-R324 IonicContact OD1-NE 3.52Å; D322-R324 PolarHBondContact OD1-NE 2.93Å; D322-R324 IonicContact OD2-NH2 2.7Å
325C88.8Confident90.2Very high34 Ų3436.8 Ų36.823%0.2320%0.195CC..THydrogen-bonded Turntrans-106.4-69.7-179.3-177.20000110.9C320 D322 Q327 C358C320-C325 HydrophobicContact CB-CB 4.18Å; D322-C325 HydrophobicContact CB-CB 4.15Å; D322-C325 PolarHBondContact O-N 2.91Å; C325-Q327 PolarHBondContact O-N 2.95Å; C325-C358 HydrophobicContact CB-CB 3.88Å; C325-C358 VanDerWaalsContact SG-SG 3.69Å
326G86.4Confident90.5Very high15 Ų1540.6 Ų40.616%0.15521%0.212CC..  trans56.713.9179.800000115.8N229 V319 D322 P328N229-G326 PolarHBondContact ND2-O 2.99Å; V319-G326 WeakPolarHBondContact CG1-O 3.18Å; D322-G326 PolarHBondContact O-N 3.06Å; D322-G326 VanDerWaalsContact O-N 3.16Å; G326-P328 WeakPolarHBondContact O-CD 3.31Å
327Q90.6Very high90.8Very high44 Ų4445.5 Ų45.521%0.20623%0.229CC..  trans-66127.8-177.7-175.365.740.100110.1E302 G304 C320 C325 F329 Y357E302-Q327 PolarHBondContact O-NE2 3.1Å; G304-Q327 VanDerWaalsContact CA-NE2 3.32Å; C320-Q327 PolarHBondContact N-O 3.16Å; C325-Q327 PolarHBondContact O-N 2.95Å; Q327-F329 HydrophobicContact CB-CE2 4Å; Q327-F329 HydrophobicContact CB-CZ 3.83Å; Q327-F329 HydrophobicContact CG-CE1 3.85Å; Q327-F329 HydrophobicContact CG-CE2 4Å; Q327-F329 HydrophobicContact CG-CZ 3.48Å; Q327-F329 VanDerWaalsContact CG-CZ 3.48Å; Q327-F329 WeakPolarHBondContact O-CD2 3.41Å; Q327-F329 WeakPolarHBondContact O-CE2 3.25Å; Q327-Y357 HydrophobicContact CB-CD2 4.49Å; Q327-Y357 HydrophobicContact CB-CG 4.36Å; Q327-Y357 HydrophobicContact CG-CD1 4.36Å; Q327-Y357 HydrophobicContact CG-CD2 3.92Å; Q327-Y357 HydrophobicContact CG-CE1 4.4Å; Q327-Y357 HydrophobicContact CG-CE2 3.99Å; Q327-Y357 HydrophobicContact CG-CG 4.14Å
328P91.4Very high91.2Very high5 Ų543.3 Ų43.33%0.03222%0.218CC..EExtended strand (participates in β ladder)trans-87.2151.5174.736-36.7000112.1V301 C303 G304 P316 Q318 V319 G326V301-P328 HydrophobicContact CB-CG 3.92Å; V301-P328 HydrophobicContact CG1-CG 3.42Å; V301-P328 VanDerWaalsContact CG1-CG 3.42Å; C303-P328 WeakPolarHBondContact CA-O 3.42Å; G304-P328 PolarHBondContact N-O 2.99Å; P316-P328 HydrophobicContact CB-CB 3.73Å; P316-P328 HydrophobicContact CB-CG 4.32Å; Q318-P328 CarbonylContact O-C 3.57Å; Q318-P328 WeakPolarHBondContact O-CA 3.37Å; V319-P328 HydrophobicContact CG2-CB 4.21Å; G326-P328 WeakPolarHBondContact O-CD 3.31Å
329F92.9Very high91.3Very high0 Ų048.2 Ų48.20%023%0.234CC..EExtended strand (participates in β ladder)trans-139.4147.5179-53.5-82.3000109.8I305 P316 D317 Q318 Q327 L334 P356 Y357 I362I305-F329 HydrophobicContact CD1-CD1 3.67Å; I305-F329 HydrophobicContact CD1-CE1 4.2Å; I305-F329 HydrophobicContact CD1-CG 4.45Å; I305-F329 HydrophobicContact CG1-CD1 3.72Å; I305-F329 HydrophobicContact CG1-CE1 3.97Å; P316-F329 WeakPolarHBondContact CA-O 3.21Å; D317-F329 PolarHBondContact N-O 2.74Å; D317-F329 VanDerWaalsContact N-O 3.14Å; Q318-F329 HydrophobicContact CB-CB 4.45Å; Q318-F329 WeakPolarHBondContact CB-O 3.43Å; Q318-F329 PolarHBondContact N-O 2.93Å; Q318-F329 PolarHBondContact O-N 3.38Å; Q327-F329 HydrophobicContact CB-CE2 4Å; Q327-F329 HydrophobicContact CB-CZ 3.83Å; Q327-F329 HydrophobicContact CG-CE1 3.85Å; Q327-F329 HydrophobicContact CG-CE2 4Å; Q327-F329 HydrophobicContact CG-CZ 3.48Å; Q327-F329 VanDerWaalsContact CG-CZ 3.48Å; Q327-F329 WeakPolarHBondContact O-CD2 3.41Å; Q327-F329 WeakPolarHBondContact O-CE2 3.25Å; F329-L334 HydrophobicContact CB-CB 3.95Å; F329-L334 HydrophobicContact CB-CD2 4.4Å; F329-L334 HydrophobicContact CD2-CD1 4.47Å; F329-L334 HydrophobicContact CD2-CD2 4.37Å; F329-L334 HydrophobicContact CG-CD1 4.44Å; F329-P356 HydrophobicContact CE1-CG 4.06Å; F329-P356 HydrophobicContact CZ-CG 4.21Å; F329-Y357 AromaticContact CE1-CD2 3.98Å; F329-Y357 HydrophobicContact CE1-CD2 3.98Å; F329-Y357 AromaticContact CE1-CE2 3.95Å; F329-Y357 HydrophobicContact CE1-CE2 3.95Å; F329-Y357 AromaticContact CZ-CD2 3.81Å; F329-Y357 HydrophobicContact CZ-CD2 3.81Å; F329-Y357 HydrophobicContact CZ-CE2 4.24Å; F329-I362 HydrophobicContact CD2-CD1 4.12Å; F329-I362 HydrophobicContact CE2-CD1 4.08Å
330H92.3Very high91.4Very high1 Ų151.1 Ų51.11%0.00526%0.26CS..  trans-64.8139.5161.4-63.5109.5000109.5C303 C306 S308 Y309 A314 I315 P316 A332 C333 L334C303-H330 VanDerWaalsContact CB-ND1 3.26Å; C303-H330 WeakPolarHBondContact CB-ND1 3.45Å; C303-H330 PolarHBondContact SG-N 3.2Å; C303-H330 VanDerWaalsContact SG-N 3.38Å; C303-H330 PolarHBondContact SG-ND1 3.42Å; C306-H330 PolarHBondContact SG-ND1 3.46Å; S308-H330 PolarHBondContact O-CE1 3Å; S308-H330 VanDerWaalsContact O-CE1 3.25Å; Y309-H330 PolarHBondContact O-NE2 3.26Å; A314-H330 PolarHBondContact O-CD2 2.98Å; A314-H330 PolarHBondContact O-NE2 3.06Å; I315-H330 PolarHBondContact O-CD2 3.35Å; P316-H330 WeakPolarHBondContact CD-NE2 3.46Å; H330-A332 PolarHBondContact O-N 3.17Å; H330-C333 HydrophobicContact CB-CB 4.08Å; H330-C333 PolarHBondContact O-N 3.25Å; H330-L334 PolarHBondContact O-N 2.93Å
331Q91.8Very high91.4Very high52 Ų5254 Ų5424%0.24328%0.275CS..Hα-helixtrans-49.7-46.4172.9-172.8-171.6-3200112.2D317 Q318 Y335 V364 K365D317-Q331 PolarHBondContact OD1-N 2.88Å; Q318-Q331 HydrophobicContact CG-CB 4Å; Q318-Q331 HydrophobicContact CG-CG 4.42Å; Q331-Y335 VanDerWaalsContact O-CB 3.25Å; Q331-Y335 WeakPolarHBondContact O-CB 3.48Å; Q331-Y335 PolarHBondContact O-N 2.97Å; Q331-V364 HydrophobicContact CB-CG2 4.47Å; Q331-V364 HydrophobicContact CG-CG2 3.71Å; Q331-K365 WeakPolarHBondContact CG-O 3.32Å; Q331-K365 PolarHBondContact NE2-O 3.22Å
332A92.7Very high91.3Very high48 Ų4857.2 Ų57.240%0.39730%0.3SS..Hα-helixtrans-63.2-47.5179.600000112.3H330 L334 Y335 E336H330-A332 PolarHBondContact O-N 3.17Å; A332-L334 PolarHBondContact O-N 2.79Å; A332-Y335 PolarHBondContact O-N 2.94Å; A332-E336 WeakPolarHBondContact O-CB 3.44Å; A332-E336 VanDerWaalsContact O-CG 3.31Å; A332-E336 WeakPolarHBondContact O-CG 3.15Å; A332-E336 PolarHBondContact O-N 3.35Å
333C94.1Very high91.3Very high16 Ų1659.7 Ų59.711%0.10832%0.319CS..Hα-helixtrans-60.8-45.9178.7-660000112I305 H330 E336 W337I305-C333 HydrophobicContact CB-CB 4.03Å; I305-C333 HydrophobicContact CD1-CB 4.03Å; I305-C333 HydrophobicContact CG2-CB 4.09Å; H330-C333 HydrophobicContact CB-CB 4.08Å; H330-C333 PolarHBondContact O-N 3.25Å; C333-E336 PolarHBondContact O-N 2.86Å; C333-W337 WeakPolarHBondContact O-CB 3.49Å; C333-W337 PolarHBondContact O-N 3.45Å
334L94.6Very high91.6Very high0 Ų056.2 Ų56.20%030%0.298CS..Hα-helixtrans-67.5-38.4-179.6-176.960.8000111.6I305 Q318 F329 H330 A332 W337 L338 I362 V364I305-L334 HydrophobicContact CD1-CB 4.48Å; I305-L334 HydrophobicContact CD1-CD1 4.48Å; Q318-L334 HydrophobicContact CB-CD2 3.89Å; Q318-L334 HydrophobicContact CG-CD2 4.42Å; F329-L334 HydrophobicContact CB-CB 3.95Å; F329-L334 HydrophobicContact CB-CD2 4.4Å; F329-L334 HydrophobicContact CD2-CD1 4.47Å; F329-L334 HydrophobicContact CD2-CD2 4.37Å; F329-L334 HydrophobicContact CG-CD1 4.44Å; H330-L334 PolarHBondContact O-N 2.93Å; A332-L334 PolarHBondContact O-N 2.79Å; L334-W337 PolarHBondContact O-N 3.03Å; L334-L338 HydrophobicContact CD1-CD1 4.12Å; L334-L338 HydrophobicContact CD1-CG 4.07Å; L334-L338 HydrophobicContact CG-CD1 4.12Å; L334-L338 HydrophobicContact CG-CG 4.42Å; L334-L338 WeakPolarHBondContact O-CB 3.33Å; L334-L338 WeakPolarHBondContact O-CG 3.4Å; L334-L338 PolarHBondContact O-N 2.86Å; L334-I362 HydrophobicContact CD1-CD1 4.4Å; L334-I362 HydrophobicContact CD1-CG2 4.38Å; L334-I362 HydrophobicContact CD2-CD1 3.69Å; L334-I362 HydrophobicContact CD2-CG1 4.11Å; L334-V364 HydrophobicContact CB-CG2 4.22Å; L334-V364 HydrophobicContact CD2-CB 3.85Å; L334-V364 HydrophobicContact CD2-CG2 4.11Å; L334-V364 HydrophobicContact CG-CB 4.02Å; L334-V364 HydrophobicContact CG-CG1 4.3Å; L334-V364 HydrophobicContact CG-CG2 4.25Å
335Y93.9Very high91.8Very high38 Ų3855.9 Ų55.915%0.14930%0.296CS..Hα-helixtrans-62.4-49.2174.4170.8-108000112.3Q331 A332 W337 L338 R339 V351 M366Q331-Y335 VanDerWaalsContact O-CB 3.25Å; Q331-Y335 WeakPolarHBondContact O-CB 3.48Å; Q331-Y335 PolarHBondContact O-N 2.97Å; A332-Y335 PolarHBondContact O-N 2.94Å; Y335-W337 VanDerWaalsContact C-N 3.28Å; Y335-W337 PolarHBondContact O-N 3.39Å; Y335-L338 PolarHBondContact O-N 3.4Å; Y335-R339 WeakPolarHBondContact O-CB 3.36Å; Y335-R339 WeakPolarHBondContact O-CG 3.47Å; Y335-R339 PolarHBondContact O-N 3.36Å; Y335-V351 HydrophobicContact CD2-CG2 3.93Å; Y335-V351 HydrophobicContact CE2-CG2 3.88Å; Y335-M366 HydrophobicContact CD2-CG 4.26Å; Y335-M366 HydrophobicContact CE2-CB 4.2Å; Y335-M366 HydrophobicContact CE2-CE 4.15Å; Y335-M366 HydrophobicContact CE2-CG 3.74Å; Y335-M366 WeakPolarHBondContact OH-CE 3.38Å
336E93.4Very high91.8Very high85 Ų8560.4 Ų60.440%0.39731%0.314SS..Hα-helixtrans-60.4-38.4177.4-74.1-61.913600112.2A332 C333 R339A332-E336 WeakPolarHBondContact O-CB 3.44Å; A332-E336 VanDerWaalsContact O-CG 3.31Å; A332-E336 WeakPolarHBondContact O-CG 3.15Å; A332-E336 PolarHBondContact O-N 3.35Å; C333-E336 PolarHBondContact O-N 2.86Å; E336-R339 VanDerWaalsContact CD-NE 3.28Å; E336-R339 WeakPolarHBondContact O-CG 3.45Å; E336-R339 IonicContact OE1-CZ 3.36Å; E336-R339 IonicContact OE1-NE 3.52Å; E336-R339 PolarHBondContact OE1-NE 2.96Å; E336-R339 IonicContact OE1-NH1 3.09Å; E336-R339 PolarHBondContact OE1-NH1 3.28Å; E336-R339 VanDerWaalsContact OE1-NH1 3.13Å; E336-R339 IonicContact OE1-NH2 3.5Å; E336-R339 PolarHBondContact OE1-NH2 2.72Å; E336-R339 VanDerWaalsContact OE1-NH2 3.09Å; E336-R339 IonicContact OE2-CZ 2.83Å; E336-R339 IonicContact OE2-NE 3.71Å; E336-R339 PolarHBondContact OE2-NE 3.35Å; E336-R339 IonicContact OE2-NH1 2.63Å; E336-R339 IonicContact OE2-NH2 3.13Å; E336-R339 PolarHBondContact OE2-NH2 2.93Å
337W94.3Very high92Very high116 Ų11662.4 Ų62.444%0.43933%0.325SS..Hα-helixtrans-65.4-54.2174.8-177.7-87.3000112I305 C333 L334 Y335 R339 A340 P356I305-W337 HydrophobicContact CD1-CB 3.9Å; I305-W337 HydrophobicContact CD1-CG 4.27Å; C333-W337 WeakPolarHBondContact O-CB 3.49Å; C333-W337 PolarHBondContact O-N 3.45Å; L334-W337 PolarHBondContact O-N 3.03Å; Y335-W337 VanDerWaalsContact C-N 3.28Å; Y335-W337 PolarHBondContact O-N 3.39Å; W337-R339 PolarHBondContact O-N 3.47Å; W337-A340 PolarHBondContact O-N 2.92Å; W337-P356 HydrophobicContact CD2-CG 4.35Å; W337-P356 HydrophobicContact CG-CG 4.27Å; W337-P356 HydrophobicContact CZ2-CB 4.17Å
338L93.9Very high91.8Very high0 Ų069 Ų690%035%0.354CS..Hα-helixtrans-65.6-37.8-174.8-70.4-178.9000112.2L334 Y335 A340 L341 S344 V351 I362 V364L334-L338 HydrophobicContact CD1-CD1 4.12Å; L334-L338 HydrophobicContact CD1-CG 4.07Å; L334-L338 HydrophobicContact CG-CD1 4.12Å; L334-L338 HydrophobicContact CG-CG 4.42Å; L334-L338 WeakPolarHBondContact O-CB 3.33Å; L334-L338 WeakPolarHBondContact O-CG 3.4Å; L334-L338 PolarHBondContact O-N 2.86Å; Y335-L338 PolarHBondContact O-N 3.4Å; L338-A340 PolarHBondContact O-N 2.88Å; L338-L341 HydrophobicContact CD2-CD1 4.35Å; L338-L341 PolarHBondContact O-N 3.45Å; L338-L341 VanDerWaalsContact O-N 3.14Å; L338-S344 WeakPolarHBondContact O-CB 3.33Å; L338-S344 PolarHBondContact O-OG 2.98Å; L338-V351 HydrophobicContact CB-CG1 3.74Å; L338-V351 HydrophobicContact CD1-CG1 4.3Å; L338-I362 HydrophobicContact CD1-CG2 4.23Å; L338-V364 HydrophobicContact CD1-CG1 3.8Å
339R92.3Very high91.6Very high143 Ų14374.7 Ų74.754%0.5438%0.384SS..Hα-helixtrans-66.6-21.5179.277.3-178.4-164165.11.8113.5Y335 E336 W337 L341Y335-R339 WeakPolarHBondContact O-CB 3.36Å; Y335-R339 WeakPolarHBondContact O-CG 3.47Å; Y335-R339 PolarHBondContact O-N 3.36Å; E336-R339 VanDerWaalsContact CD-NE 3.28Å; E336-R339 WeakPolarHBondContact O-CG 3.45Å; E336-R339 IonicContact OE1-CZ 3.36Å; E336-R339 IonicContact OE1-NE 3.52Å; E336-R339 PolarHBondContact OE1-NE 2.96Å; E336-R339 IonicContact OE1-NH1 3.09Å; E336-R339 PolarHBondContact OE1-NH1 3.28Å; E336-R339 VanDerWaalsContact OE1-NH1 3.13Å; E336-R339 IonicContact OE1-NH2 3.5Å; E336-R339 PolarHBondContact OE1-NH2 2.72Å; E336-R339 VanDerWaalsContact OE1-NH2 3.09Å; E336-R339 IonicContact OE2-CZ 2.83Å; E336-R339 IonicContact OE2-NE 3.71Å; E336-R339 PolarHBondContact OE2-NE 3.35Å; E336-R339 IonicContact OE2-NH1 2.63Å; E336-R339 IonicContact OE2-NH2 3.13Å; E336-R339 PolarHBondContact OE2-NH2 2.93Å; W337-R339 PolarHBondContact O-N 3.47Å; R339-L341 VanDerWaalsContact C-N 3.31Å
340A91.4Very high91.5Very high81 Ų8177.6 Ų77.667%0.66940%0.399SS*.THydrogen-bonded Turntrans-80.4-13.6177.300000112.9W337 L338W337-A340 PolarHBondContact O-N 2.92Å; L338-A340 PolarHBondContact O-N 2.88Å
341L91.2Very high91.6Very high60 Ų6077.8 Ų77.831%0.31440%0.4SS..  trans-92.7131-177.8-62.7176000111.5L338 R339 S343 S344L338-L341 HydrophobicContact CD2-CD1 4.35Å; L338-L341 PolarHBondContact O-N 3.45Å; L338-L341 VanDerWaalsContact O-N 3.14Å; R339-L341 VanDerWaalsContact C-N 3.31Å; L341-S343 PolarHBondContact O-N 2.63Å; L341-S344 PolarHBondContact O-N 3.21Å
342P88.8Confident91.7Very high135 Ų13579.3 Ų79.388%0.87741%0.406SS*.THydrogen-bonded Turntrans-69.6-17.2177.828.8-35000113.3
343S89.8Confident91.7Very high76 Ų7677.7 Ų77.753%0.53139%0.394SS..THydrogen-bonded Turntrans-80.4-14.917751.90000113.6L341L341-S343 PolarHBondContact O-N 2.63Å
344S91Very high91.8Very high25 Ų2581.8 Ų81.818%0.17541%0.412CS..  trans-72.5143.1-179.1-64.80000111.5L338 L341 F352L338-S344 WeakPolarHBondContact O-CB 3.33Å; L338-S344 PolarHBondContact O-OG 2.98Å; L341-S344 PolarHBondContact O-N 3.21Å; S344-F352 CarbonylContact C-O 3.54Å; S344-F352 WeakPolarHBondContact CA-O 3.44Å
345R92Very high91.8Very high199 Ų19981.9 Ų81.975%0.75141%0.413SS*.EExtended strand (participates in β ladder)trans-112.9133.1176.5-59.9-176.1-176.2-151.20.7109.2F352R345-F352 PolarHBondContact N-O 2.94Å; R345-F352 PolarHBondContact O-N 2.91Å
346Q89.9Confident91.8Very high130 Ų13082.2 Ų82.261%0.60742%0.419SS*.EExtended strand (participates in β ladder)trans-103.6135.5173.2-173.5180-20.100109.8V351 M366Q346-V351 HydrophobicContact CG-CG2 4.38Å; Q346-M366 HydrophobicContact CG-SD 4.36Å; Q346-M366 PolarHBondContact NE2-SD 2.86Å
347S89.8Confident91.8Very high56 Ų5683.1 Ų83.139%0.39242%0.42SS..EExtended strand (participates in β ladder)trans-140120.3169.7-169.90000109.2N349 L350S347-N349 PolarHBondContact O-N 3.13Å; S347-L350 PolarHBondContact N-O 2.98Å; S347-L350 PolarHBondContact O-N 3.09Å; S347-L350 VanDerWaalsContact O-O 3.13Å
348F86.1Confident91.8Very high184 Ų18479.5 Ų79.581%0.80741%0.412SS*.THydrogen-bonded Turntrans49.7-119.8-172.8-57.6-83.6000111.4
349N88.5Confident91.8Very high123 Ų12383.2 Ų83.266%0.65844%0.438SS*.THydrogen-bonded Turntrans-9816.1-178-56.8-12.1000112.3S347 K365 M366S347-N349 PolarHBondContact O-N 3.13Å; N349-K365 WeakPolarHBondContact O-CA 3.38Å; N349-M366 PolarHBondContact O-N 3.14Å
350L90.8Very high91.9Very high62 Ų6280.7 Ų80.733%0.32543%0.43SS..EExtended strand (participates in β ladder)trans-120.3138.7-179.6-63.9176.5000111S347 F352 T363 V364 K365S347-L350 PolarHBondContact N-O 2.98Å; S347-L350 PolarHBondContact O-N 3.09Å; S347-L350 VanDerWaalsContact O-O 3.13Å; L350-F352 HydrophobicContact CB-CE2 3.76Å; L350-F352 HydrophobicContact CB-CZ 4.03Å; L350-F352 HydrophobicContact CD1-CZ 4.06Å; L350-T363 HydrophobicContact CB-CG2 4.16Å; L350-T363 HydrophobicContact CD1-CG2 4.44Å; L350-T363 HydrophobicContact CD2-CG2 4.19Å; L350-V364 WeakPolarHBondContact CA-O 3.39Å; L350-K365 HydrophobicContact CD2-CB 4.32Å; L350-K365 HydrophobicContact CD2-CG 3.48Å; L350-K365 VanDerWaalsContact CD2-CG 3.48Å
351V92.8Very high92Very high4 Ų481.9 Ų81.92%0.02443%0.431CS..EExtended strand (participates in β ladder)trans-112.5127.6170-175.90000108.3Y335 L338 Q346 T363 V364 M366Y335-V351 HydrophobicContact CD2-CG2 3.93Å; Y335-V351 HydrophobicContact CE2-CG2 3.88Å; L338-V351 HydrophobicContact CB-CG1 3.74Å; L338-V351 HydrophobicContact CD1-CG1 4.3Å; Q346-V351 HydrophobicContact CG-CG2 4.38Å; V351-T363 WeakPolarHBondContact O-CA 3.45Å; V351-V364 HydrophobicContact CB-CG1 4.03Å; V351-V364 PolarHBondContact N-O 3.25Å; V351-V364 PolarHBondContact O-N 3.33Å; V351-M366 HydrophobicContact CG2-CG 4.1Å
352F93.8Very high92.1Very high84 Ų8479.4 Ų79.437%0.36842%0.419SS..EExtended strand (participates in β ladder)trans-107.4134.2177.8-58.2-95.7000108.6S344 R345 L350 T363S344-F352 CarbonylContact C-O 3.54Å; S344-F352 WeakPolarHBondContact CA-O 3.44Å; R345-F352 PolarHBondContact N-O 2.94Å; R345-F352 PolarHBondContact O-N 2.91Å; L350-F352 HydrophobicContact CB-CE2 3.76Å; L350-F352 HydrophobicContact CB-CZ 4.03Å; L350-F352 HydrophobicContact CD1-CZ 4.06Å; F352-T363 HydrophobicContact CD1-CG2 3.8Å; F352-T363 VanDerWaalsContact CD1-OG1 3.27Å; F352-T363 WeakPolarHBondContact CD1-OG1 3.11Å; F352-T363 HydrophobicContact CE1-CG2 3.68Å; F352-T363 HydrophobicContact CG-CG2 4.33Å; F352-T363 HydrophobicContact CZ-CG2 4.11Å
353G94.3Very high92.3Very high14 Ų1475.8 Ų75.814%0.14439%0.394CS..EExtended strand (participates in β ladder)trans-165.9-150.7174.100000111.4P361 I362G353-P361 WeakPolarHBondContact O-CA 3.34Å; G353-I362 PolarHBondContact N-O 2.8Å; G353-I362 PolarHBondContact O-N 3.01Å
354E95.3Very high92.4Very high103 Ų10372.2 Ų72.248%0.48137%0.369SS..EExtended strand (participates in β ladder)trans-114.4140.5-175.7-65.6-178.2172.600110.9K360E354-K360 CarbonylContact C-O 3.6Å; E354-K360 WeakPolarHBondContact CA-O 3.48Å
355C94.9Very high92.4Very high2 Ų277.4 Ų77.41%0.01439%0.388CS..  trans-61.9132.6176.9177.20000110.5Y357 S359 K360 I362C355-Y357 PolarHBondContact O-N 2.89Å; C355-S359 WeakPolarHBondContact O-CA 3.27Å; C355-S359 PolarHBondContact O-N 2.95Å; C355-K360 WeakPolarHBondContact CB-O 3.34Å; C355-K360 PolarHBondContact N-O 3.18Å; C355-I362 HydrophobicContact CB-CB 4.41Å; C355-I362 HydrophobicContact CB-CG2 4.32Å
356P93.9Very high92Very high44 Ų4470.4 Ų70.429%0.28637%0.365SS..THydrogen-bonded Turntrans-59.3-20179.9-20.728.5000114.9I305 F329 W337I305-P356 HydrophobicContact CD1-CG 4.33Å; I305-P356 HydrophobicContact CG1-CG 4.39Å; F329-P356 HydrophobicContact CE1-CG 4.06Å; F329-P356 HydrophobicContact CZ-CG 4.21Å; W337-P356 HydrophobicContact CD2-CG 4.35Å; W337-P356 HydrophobicContact CG-CG 4.27Å; W337-P356 HydrophobicContact CZ2-CB 4.17Å
357Y93.7Very high90.9Very high105 Ų10566.7 Ų66.741%0.41236%0.356SS..THydrogen-bonded Turntrans-100.6-37-173.6-80-110.4000113.7G304 Q327 F329 C355G304-Y357 WeakPolarHBondContact CA-OH 3.42Å; G304-Y357 WeakPolarHBondContact O-CE2 3.48Å; G304-Y357 PolarHBondContact O-OH 3.27Å; Q327-Y357 HydrophobicContact CB-CD2 4.49Å; Q327-Y357 HydrophobicContact CB-CG 4.36Å; Q327-Y357 HydrophobicContact CG-CD1 4.36Å; Q327-Y357 HydrophobicContact CG-CD2 3.92Å; Q327-Y357 HydrophobicContact CG-CE1 4.4Å; Q327-Y357 HydrophobicContact CG-CE2 3.99Å; Q327-Y357 HydrophobicContact CG-CG 4.14Å; F329-Y357 AromaticContact CE1-CD2 3.98Å; F329-Y357 HydrophobicContact CE1-CD2 3.98Å; F329-Y357 AromaticContact CE1-CE2 3.95Å; F329-Y357 HydrophobicContact CE1-CE2 3.95Å; F329-Y357 AromaticContact CZ-CD2 3.81Å; F329-Y357 HydrophobicContact CZ-CD2 3.81Å; F329-Y357 HydrophobicContact CZ-CE2 4.24Å; C355-Y357 PolarHBondContact O-N 2.89Å
358C94.4Very high89.4Confident40 Ų4068.4 Ų68.427%0.2737%0.374SS..THydrogen-bonded Turntrans-125.6-0.2-172.869.50000114.2C325 K360C325-C358 HydrophobicContact CB-CB 3.88Å; C325-C358 VanDerWaalsContact SG-SG 3.69Å; C358-K360 HydrophobicContact CB-CG 4.37Å; C358-K360 PolarHBondContact O-N 2.91Å; C358-K360 VanDerWaalsContact SG-CB 3.58Å
359S93.6Very high87.5Confident78 Ų7868.2 Ų68.255%0.54538%0.375SS..  trans56.417-177.6-52.20000114.7C355C355-S359 WeakPolarHBondContact O-CA 3.27Å; C355-S359 PolarHBondContact O-N 2.95Å
360K94.7Very high85.2Confident89 Ų8972.1 Ų72.139%0.38739%0.387SS..  trans-83.6154.9175.1-65.1-66.9-171.9-174.60111.2D322 E354 C355 C358 I362D322-K360 HydrophobicContact CB-CB 4.14Å; D322-K360 HydrophobicContact CB-CG 3.95Å; D322-K360 WeakPolarHBondContact OD2-CE 3.37Å; D322-K360 WeakPolarHBondContact OD2-CG 3.3Å; E354-K360 CarbonylContact C-O 3.6Å; E354-K360 WeakPolarHBondContact CA-O 3.48Å; C355-K360 WeakPolarHBondContact CB-O 3.34Å; C355-K360 PolarHBondContact N-O 3.18Å; C358-K360 HydrophobicContact CB-CG 4.37Å; C358-K360 PolarHBondContact O-N 2.91Å; C358-K360 VanDerWaalsContact SG-CB 3.58Å; K360-I362 PolarHBondContact O-N 2.93Å
361P93.5Very high82.2Confident106 Ų10678.8 Ų78.869%0.68843%0.43SS*.EExtended strand (participates in β ladder)trans-54131.5179-26.335.1000112.2G353G353-P361 WeakPolarHBondContact O-CA 3.34Å
362I93.8Very high81.7Confident9 Ų982.6 Ų82.65%0.04645%0.451CS..EExtended strand (participates in β ladder)trans-139.6148.9173.5-163.6169.8000109.2C320 F329 L334 L338 G353 C355 K360C320-I362 HydrophobicContact CB-CD1 4.29Å; F329-I362 HydrophobicContact CD2-CD1 4.12Å; F329-I362 HydrophobicContact CE2-CD1 4.08Å; L334-I362 HydrophobicContact CD1-CD1 4.4Å; L334-I362 HydrophobicContact CD1-CG2 4.38Å; L334-I362 HydrophobicContact CD2-CD1 3.69Å; L334-I362 HydrophobicContact CD2-CG1 4.11Å; L338-I362 HydrophobicContact CD1-CG2 4.23Å; G353-I362 PolarHBondContact N-O 2.8Å; G353-I362 PolarHBondContact O-N 3.01Å; C355-I362 HydrophobicContact CB-CB 4.41Å; C355-I362 HydrophobicContact CB-CG2 4.32Å; K360-I362 PolarHBondContact O-N 2.93Å
363T92.2Very high81.1Confident58 Ų5882.5 Ų82.536%0.35646%0.455SS..EExtended strand (participates in β ladder)trans-126.7142.2-178.5-52.70000109.3L350 V351 F352L350-T363 HydrophobicContact CB-CG2 4.16Å; L350-T363 HydrophobicContact CD1-CG2 4.44Å; L350-T363 HydrophobicContact CD2-CG2 4.19Å; V351-T363 WeakPolarHBondContact O-CA 3.45Å; F352-T363 HydrophobicContact CD1-CG2 3.8Å; F352-T363 VanDerWaalsContact CD1-OG1 3.27Å; F352-T363 WeakPolarHBondContact CD1-OG1 3.11Å; F352-T363 HydrophobicContact CE1-CG2 3.68Å; F352-T363 HydrophobicContact CG-CG2 4.33Å; F352-T363 HydrophobicContact CZ-CG2 4.11Å
364V92.5Very high80.4Confident1 Ų186.3 Ų86.31%0.00647%0.472CS..EExtended strand (participates in β ladder)trans-134.8144.2175.569.60000110.9Q318 Q331 L334 L338 L350 V351Q318-V364 HydrophobicContact CG-CG2 4.11Å; Q331-V364 HydrophobicContact CB-CG2 4.47Å; Q331-V364 HydrophobicContact CG-CG2 3.71Å; L334-V364 HydrophobicContact CB-CG2 4.22Å; L334-V364 HydrophobicContact CD2-CB 3.85Å; L334-V364 HydrophobicContact CD2-CG2 4.11Å; L334-V364 HydrophobicContact CG-CB 4.02Å; L334-V364 HydrophobicContact CG-CG1 4.3Å; L334-V364 HydrophobicContact CG-CG2 4.25Å; L338-V364 HydrophobicContact CD1-CG1 3.8Å; L350-V364 WeakPolarHBondContact CA-O 3.39Å; V351-V364 HydrophobicContact CB-CG1 4.03Å; V351-V364 PolarHBondContact N-O 3.25Å; V351-V364 PolarHBondContact O-N 3.33Å
365K89.8Confident79.5Confident135 Ų13585.3 Ų85.359%0.58747%0.472SS*.EExtended strand (participates in β ladder)trans-75.8137.8170.8-73.2178.6-177179.20110.3Q331 N349 L350 A367Q331-K365 WeakPolarHBondContact CG-O 3.32Å; Q331-K365 PolarHBondContact NE2-O 3.22Å; N349-K365 WeakPolarHBondContact O-CA 3.38Å; L350-K365 HydrophobicContact CD2-CB 4.32Å; L350-K365 HydrophobicContact CD2-CG 3.48Å; L350-K365 VanDerWaalsContact CD2-CG 3.48Å; K365-A367 PolarHBondContact O-N 3.42Å
366M84.7Confident78.5Confident51 Ų5190.5 Ų90.525%0.25150%0.5SS..PPolyproline II helixtrans-60.1132.6168.5-61.6-179.972.700108.9Y335 Q346 N349 V351 A368Y335-M366 HydrophobicContact CD2-CG 4.26Å; Y335-M366 HydrophobicContact CE2-CB 4.2Å; Y335-M366 HydrophobicContact CE2-CE 4.15Å; Y335-M366 HydrophobicContact CE2-CG 3.74Å; Y335-M366 WeakPolarHBondContact OH-CE 3.38Å; Q346-M366 HydrophobicContact CG-SD 4.36Å; Q346-M366 PolarHBondContact NE2-SD 2.86Å; N349-M366 PolarHBondContact O-N 3.14Å; V351-M366 HydrophobicContact CG2-CG 4.1Å; M366-A368 PolarHBondContact O-N 2.62Å
367A66.6Low77.5Confident52 Ų5293.6 Ų93.643%0.4352%0.515SS..PPolyproline II helixtrans-64.3128.2173.700000108.9K365 Q369K365-A367 PolarHBondContact O-N 3.42Å; A367-Q369 PolarHBondContact O-N 2.8Å
368A57.7Low76.3Confident93 Ų9392.8 Ų92.877%0.76952%0.522SS*.PPolyproline II helixtrans-63.3124.516800000107.5M366 K370M366-A368 PolarHBondContact O-N 2.62Å; A368-K370 PolarHBondContact O-N 3.26Å
369Q47.3Very low74.9Confident179 Ų17996.8 Ų96.884%0.83654%0.541SS*.  trans-60.4114.3168.2-77.4177.8-20.200106.8A367 T371A367-Q369 PolarHBondContact O-N 2.8Å; Q369-T371 VanDerWaalsContact C-N 3.31Å; Q369-T371 PolarHBondContact O-N 3.24Å
370K39.9Very low73.4Confident206 Ų20698.4 Ų98.490%0.89654%0.541SS*.  trans-62.4100163.7-74.1-178.2177.8177.40105.8A368A368-K370 PolarHBondContact O-N 3.26Å
371T28.2Very low71.5Confident202 Ų20299.3 Ų99.3100%1.23956%0.555SS**  trans-68.6017040.80000111.3Q369Q369-T371 VanDerWaalsContact C-N 3.31Å; Q369-T371 PolarHBondContact O-N 3.24Å

Retrieved 371 of 371 residues in 169.9 ms (Link to these results)

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