A0A077YYG4_TRITR Loading...

N-acetyl-D-glucosamine kinase

AlphaFold DB , UniProt , Accession A0A077YYG4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 345 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
1M37.3Very low70.7Confident231 Ų231103.5 Ų103.5100%1.13854%0.537SS*.  0105.80-78.6176.1172.800107F3M1-F3 PolarHBondContact O-N 2.79Å
2A38.9Very low73Confident94 Ų9494.8 Ų94.878%0.77749%0.493SS*.  trans-61.7125.716400000106L4A2-L4 PolarHBondContact O-N 3.31Å
3F41.8Very low74.9Confident198 Ų19887.5 Ų87.587%0.86846%0.455SS*.  trans-59.693.9162.3-68.1-90.7000105.1M1 N5M1-F3 PolarHBondContact O-N 2.79Å; F3-N5 PolarHBondContact O-N 2.88Å
4L46.1Very low76.5Confident157 Ų15783.1 Ų83.182%0.82243%0.432SS*.  trans-56.7103.7157.4-76.3163.6000102.8A2 E6A2-L4 PolarHBondContact O-N 3.31Å; L4-E6 VanDerWaalsContact C-N 3.27Å; L4-E6 PolarHBondContact O-N 3.08Å
5N54.8Low77.7Confident153 Ų15377.5 Ų77.582%0.81840%0.403SS*.  trans-55.5104.5169.4-85.4-20.5000104.8F3 E7F3-N5 PolarHBondContact O-N 2.88Å; N5-E7 PolarHBondContact O-N 3.36Å
6E77.9Confident78.6Confident160 Ų16073.8 Ų73.875%0.74839%0.389SS*.PPolyproline II helixtrans-54.1130.5175.3-71.2-179.8167.600107.5L4L4-E6 VanDerWaalsContact C-N 3.27Å; L4-E6 PolarHBondContact O-N 3.08Å
7E90.5Very high79.3Confident100 Ų10071.7 Ų71.747%0.46739%0.385SS..PPolyproline II helixtrans-53.6132.3-179.3-173.2-179.5174.700109.6N5 I9 N26N5-E7 PolarHBondContact O-N 3.36Å; E7-I9 PolarHBondContact O-N 2.93Å; E7-I9 VanDerWaalsContact O-N 3.15Å; E7-N26 VanDerWaalsContact OE1-CB 3.3Å; E7-N26 WeakPolarHBondContact OE1-CB 3.24Å; E7-N26 PolarHBondContact OE1-ND2 3.17Å
8P95.6Very high79.8Confident32 Ų3271.7 Ų71.721%0.20839%0.391CS..PPolyproline II helixtrans-59.3119.7179-25.735.3000112.1F10 T74 Y325P8-F10 HydrophobicContact CB-CE2 3.72Å; P8-F10 HydrophobicContact CB-CZ 3.62Å; P8-F10 WeakPolarHBondContact O-CE2 3.32Å; P8-T74 WeakPolarHBondContact CA-OG1 3.34Å; P8-T74 HydrophobicContact CB-CG2 4.34Å; P8-T74 WeakPolarHBondContact CB-OG1 3.34Å; P8-Y325 HydrophobicContact CB-CD1 4.39Å; P8-Y325 HydrophobicContact CB-CE1 4.03Å; P8-Y325 HydrophobicContact CG-CD1 4.41Å; P8-Y325 HydrophobicContact CG-CE1 3.81Å
9I97.7Very high80.5Confident12 Ų1274.3 Ų74.36%0.06240%0.398CS..PPolyproline II helixtrans-104132.4173.8-53.6-56.6000110.3E7 L24 L32 L67 T71 L73 T74E7-I9 PolarHBondContact O-N 2.93Å; E7-I9 VanDerWaalsContact O-N 3.15Å; I9-L24 HydrophobicContact CG2-CD2 4.32Å; I9-L32 HydrophobicContact CD1-CD1 3.82Å; I9-L67 HydrophobicContact CD1-CD1 4.41Å; I9-L67 HydrophobicContact CG1-CD1 4.21Å; I9-L67 HydrophobicContact CG2-CD1 4.04Å; I9-T71 HydrophobicContact CG1-CG2 4.41Å; I9-L73 HydrophobicContact CB-CD2 4.26Å; I9-L73 HydrophobicContact CG2-CD2 3.7Å; I9-T74 WeakPolarHBondContact O-CB 3.1Å; I9-T74 PolarHBondContact O-N 3.13Å
10F98.3Very high81.3Confident1 Ų170.6 Ų70.60%0.00438%0.378CS..EExtended strand (participates in β ladder)trans-115.8139.7-179-52.5-87.2000109.4P8 L24 M25 T74 S75 C316 A320 Y325 I327P8-F10 HydrophobicContact CB-CE2 3.72Å; P8-F10 HydrophobicContact CB-CZ 3.62Å; P8-F10 WeakPolarHBondContact O-CE2 3.32Å; F10-L24 CarbonylContact O-C 3.6Å; F10-L24 WeakPolarHBondContact O-CA 3.31Å; F10-M25 PolarHBondContact N-O 3.37Å; F10-M25 PolarHBondContact O-N 3.23Å; F10-T74 HydrophobicContact CD1-CG2 4.25Å; F10-T74 HydrophobicContact CE1-CG2 3.57Å; F10-T74 HydrophobicContact CZ-CG2 4.1Å; F10-S75 WeakPolarHBondContact CD1-OG 3.45Å; F10-C316 HydrophobicContact CB-CB 4.29Å; F10-A320 HydrophobicContact CD1-CB 3.53Å; F10-A320 HydrophobicContact CE1-CB 3.54Å; F10-A320 HydrophobicContact CG-CB 4.35Å; F10-A320 HydrophobicContact CZ-CB 4.37Å; F10-Y325 HydrophobicContact CE1-CD1 4.32Å; F10-Y325 HydrophobicContact CE1-CD2 4.07Å; F10-Y325 AromaticContact CE1-CG 3.79Å; F10-Y325 HydrophobicContact CE1-CG 3.79Å; F10-Y325 AromaticContact CZ-CD1 3.83Å; F10-Y325 HydrophobicContact CZ-CD1 3.83Å; F10-Y325 HydrophobicContact CZ-CD2 4.4Å; F10-Y325 AromaticContact CZ-CG 3.75Å; F10-Y325 HydrophobicContact CZ-CG 3.75Å; F10-I327 HydrophobicContact CB-CD1 4.24Å; F10-I327 HydrophobicContact CD1-CD1 4.2Å; F10-I327 HydrophobicContact CD2-CD1 3.77Å; F10-I327 HydrophobicContact CD2-CG1 4.42Å; F10-I327 HydrophobicContact CE2-CD1 4.17Å; F10-I327 HydrophobicContact CE2-CG1 4.35Å; F10-I327 HydrophobicContact CG-CD1 3.79Å
11A98.5Very high82.1Confident0 Ų067.4 Ų67.40%036%0.362CS..EExtended strand (participates in β ladder)trans-117.4144.1171.400000110.3V23 L24 L58 L73 S75 L76 G77 C316A11-V23 WeakPolarHBondContact CA-O 3.33Å; A11-L24 HydrophobicContact CB-CD2 3.67Å; A11-L58 HydrophobicContact CB-CD1 4.47Å; A11-L73 HydrophobicContact CB-CD1 3.52Å; A11-L73 HydrophobicContact CB-CD2 4.03Å; A11-L73 HydrophobicContact CB-CG 4.39Å; A11-S75 PolarHBondContact N-O 2.88Å; A11-L76 HydrophobicContact CB-CD1 3.63Å; A11-L76 CarbonylContact O-C 3.39Å; A11-L76 WeakPolarHBondContact O-CA 3.36Å; A11-G77 PolarHBondContact O-N 2.98Å; A11-C316 VanDerWaalsContact C-SG 3.52Å
12G98.3Very high85Confident0 Ų056.4 Ų56.40%031%0.308CS..EExtended strand (participates in β ladder)trans-135.1142.8176.700000109.5L22 V23 G77 A312 C316G12-L22 CarbonylContact O-C 3.37Å; G12-L22 VanDerWaalsContact O-CA 3.3Å; G12-L22 WeakPolarHBondContact O-CA 3.37Å; G12-V23 PolarHBondContact N-O 3.14Å; G12-V23 PolarHBondContact O-N 3.33Å; G12-G77 CarbonylContact C-O 3.35Å; G12-G77 WeakPolarHBondContact CA-O 3.32Å; G12-A312 WeakPolarHBondContact CA-O 3.37Å; G12-C316 WeakPolarHBondContact CA-SG 3.42Å; G12-C316 PolarHBondContact N-SG 3.45Å
13V98.1Very high87.9Confident0 Ų052 Ų520%027%0.271CS..EExtended strand (participates in β ladder)trans-128.3132.1-179.6178.20000109.2T20 T21 L22 F54 L76 G77 L78 A79V13-T20 HydrophobicContact CG1-CG2 3.53Å; V13-T21 CarbonylContact C-O 3.45Å; V13-T21 VanDerWaalsContact CA-O 3.31Å; V13-T21 WeakPolarHBondContact CA-O 3.32Å; V13-L22 HydrophobicContact CG2-CB 4.16Å; V13-L22 HydrophobicContact CG2-CD1 3.79Å; V13-L22 HydrophobicContact CG2-CG 3.96Å; V13-F54 HydrophobicContact CG1-CD1 3.96Å; V13-F54 HydrophobicContact CG1-CE1 3.56Å; V13-F54 HydrophobicContact CG1-CZ 4.13Å; V13-L76 HydrophobicContact CG2-CD1 4.14Å; V13-G77 PolarHBondContact N-O 3.09Å; V13-L78 HydrophobicContact CB-CD2 3.84Å; V13-L78 HydrophobicContact CG1-CD2 4.45Å; V13-L78 HydrophobicContact CG2-CD2 3.68Å; V13-A79 WeakPolarHBondContact O-CA 3.43Å; V13-A79 WeakPolarHBondContact O-CB 3.16Å; V13-A79 PolarHBondContact O-N 2.83Å
14D97.2Very high90.6Very high25 Ų2542.5 Ų42.513%0.13423%0.229CC..EExtended strand (participates in β ladder)trans-107.4104.9165.1172.131000108.3T20 T21 A79 P311 A312D14-T20 CarbonylContact O-C 3.32Å; D14-T20 VanDerWaalsContact O-CA 3.27Å; D14-T20 WeakPolarHBondContact O-CA 3.47Å; D14-T21 PolarHBondContact N-O 3.49Å; D14-T21 PolarHBondContact O-N 3.04Å; D14-A79 WeakPolarHBondContact CA-O 3.46Å; D14-P311 HydrophobicContact CB-CB 4.1Å; D14-P311 HydrophobicContact CB-CG 4.44Å; D14-P311 WeakPolarHBondContact OD2-CG 3.45Å; D14-A312 HydrophobicContact CB-CB 4.11Å
15G95.1Very high93Very high0 Ų035 Ų350%019%0.19CC..EExtended strand (participates in β ladder)trans-107.6104.4-173.300000112.7T40 A79 I80 S81G15-T40 VanDerWaalsContact CA-OG1 3.29Å; G15-T40 WeakPolarHBondContact CA-OG1 3.33Å; G15-A79 PolarHBondContact N-O 3.5Å; G15-I80 WeakPolarHBondContact O-CA 3.44Å; G15-S81 PolarHBondContact O-N 3.46Å
16G92.3Very high95Very high17 Ų1728.3 Ų28.318%0.17515%0.154CC..  trans-109.8-177.2177.400000113.8K19 G39 T40G16-K19 CarbonylContact C-O 3.51Å; G16-K19 WeakPolarHBondContact CA-O 3.44Å; G16-K19 PolarHBondContact N-O 3.38Å; G16-G39 CarbonylContact O-C 3.53Å; G16-G39 WeakPolarHBondContact O-CA 3.48Å; G16-T40 PolarHBondContact O-N 3.35Å
17A89.3Confident95.9Very high39 Ų3922.6 Ų22.632%0.32213%0.132SC..SBendtrans-69.9-35.317900000113.7T41 T132A17-T41 WeakPolarHBondContact CA-OG1 3.46Å; A17-T41 PolarHBondContact N-OG1 3.37Å; A17-T132 HydrophobicContact CB-CG2 3.87Å
18S89Confident96.1Very high72 Ų7223.8 Ų23.850%0.50314%0.137SC..SBendtrans-101-28.9-174.6-58.40000113.7T132S18-T132 PolarHBondContact OG-OG1 3.08Å
19K93.2Very high96Very high120 Ų12023 Ų2352%0.52214%0.135SC..EExtended strand (participates in β ladder)trans-149.7161.1-178.966.5171.5-174165.20111G16 V36 G37G16-K19 CarbonylContact C-O 3.51Å; G16-K19 WeakPolarHBondContact CA-O 3.44Å; G16-K19 PolarHBondContact N-O 3.38Å; K19-V36 HydrophobicContact CB-CG1 4.39Å; K19-V36 HydrophobicContact CD-CG1 4.42Å; K19-G37 CarbonylContact C-O 3.53Å; K19-G37 VanDerWaalsContact CA-O 3.31Å; K19-G37 WeakPolarHBondContact CA-O 3.22Å
20T95.9Very high96Very high0 Ų026.5 Ų26.50%015%0.154CC..EExtended strand (participates in β ladder)trans-128133.5170.6-56.30000108.2V13 D14 V36 G37 P38 T40 F54 L57V13-T20 HydrophobicContact CG1-CG2 3.53Å; D14-T20 CarbonylContact O-C 3.32Å; D14-T20 VanDerWaalsContact O-CA 3.27Å; D14-T20 WeakPolarHBondContact O-CA 3.47Å; T20-V36 CarbonylContact O-C 3.54Å; T20-V36 VanDerWaalsContact O-CA 3.32Å; T20-V36 WeakPolarHBondContact O-CA 3.24Å; T20-G37 PolarHBondContact N-O 3.48Å; T20-G37 PolarHBondContact O-N 3.45Å; T20-P38 VanDerWaalsContact CB-O 3.27Å; T20-P38 WeakPolarHBondContact CB-O 3.47Å; T20-P38 PolarHBondContact N-O 3Å; T20-P38 PolarHBondContact OG1-O 3.16Å; T20-T40 HydrophobicContact CG2-CG2 4.29Å; T20-T40 WeakPolarHBondContact OG1-CB 3.39Å; T20-T40 WeakPolarHBondContact OG1-CG2 3.4Å; T20-T40 PolarHBondContact OG1-N 3.22Å; T20-T40 PolarHBondContact OG1-OG1 3.43Å; T20-F54 HydrophobicContact CG2-CD1 4.08Å; T20-F54 HydrophobicContact CG2-CE1 3.74Å; T20-L57 HydrophobicContact CG2-CD1 3.71Å
21T98.2Very high95.9Very high4 Ų429.8 Ų29.83%0.02517%0.174CC..EExtended strand (participates in β ladder)trans-114.2133.6172.5-64.20000109.3V13 D14 V23 E34 T35 V36 S310V13-T21 CarbonylContact C-O 3.45Å; V13-T21 VanDerWaalsContact CA-O 3.31Å; V13-T21 WeakPolarHBondContact CA-O 3.32Å; D14-T21 PolarHBondContact N-O 3.49Å; D14-T21 PolarHBondContact O-N 3.04Å; T21-V23 HydrophobicContact CG2-CG2 4.46Å; T21-E34 HydrophobicContact CG2-CG 3.65Å; T21-T35 CarbonylContact C-O 3.19Å; T21-T35 VanDerWaalsContact CA-O 3.3Å; T21-T35 WeakPolarHBondContact CA-O 3.22Å; T21-V36 HydrophobicContact CG2-CG2 4.29Å; T21-S310 VanDerWaalsContact CG2-OG 3.25Å; T21-S310 WeakPolarHBondContact CG2-OG 3.49Å
22L98.6Very high95.9Very high1 Ų133 Ų331%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-116.5134.5171.5-178.3153.9000109.5G12 V13 L24 E34 T35 L57 L58 A61G12-L22 CarbonylContact O-C 3.37Å; G12-L22 VanDerWaalsContact O-CA 3.3Å; G12-L22 WeakPolarHBondContact O-CA 3.37Å; V13-L22 HydrophobicContact CG2-CB 4.16Å; V13-L22 HydrophobicContact CG2-CD1 3.79Å; V13-L22 HydrophobicContact CG2-CG 3.96Å; L22-L24 HydrophobicContact CD2-CD2 4.25Å; L22-L24 HydrophobicContact CD2-CG 4.17Å; L22-E34 CarbonylContact O-C 3.57Å; L22-E34 WeakPolarHBondContact O-CA 3.45Å; L22-T35 PolarHBondContact N-O 3.16Å; L22-T35 PolarHBondContact O-N 3.46Å; L22-L57 HydrophobicContact CB-CB 4.05Å; L22-L57 HydrophobicContact CB-CD1 4.49Å; L22-L57 HydrophobicContact CD1-CB 4.17Å; L22-L58 HydrophobicContact CD1-CB 3.88Å; L22-L58 HydrophobicContact CD1-CD1 4.27Å; L22-L58 HydrophobicContact CD2-CD1 4.39Å; L22-A61 HydrophobicContact CD2-CB 3.53Å
23V98.7Very high95.9Very high0 Ų033.3 Ų33.30%019%0.194CC..EExtended strand (participates in β ladder)trans-118.6138176.2163.80000109.2A11 G12 T21 M25 V31 A33 E34 A312 V313A11-V23 WeakPolarHBondContact CA-O 3.33Å; G12-V23 PolarHBondContact N-O 3.14Å; G12-V23 PolarHBondContact O-N 3.33Å; T21-V23 HydrophobicContact CG2-CG2 4.46Å; V23-M25 HydrophobicContact CG1-CG 3.71Å; V23-M25 HydrophobicContact CG1-SD 4Å; V23-V31 HydrophobicContact CG1-CG1 4.05Å; V23-V31 HydrophobicContact CG1-CG2 4.02Å; V23-A33 WeakPolarHBondContact CA-O 3.38Å; V23-E34 HydrophobicContact CG2-CB 4.25Å; V23-E34 HydrophobicContact CG2-CG 3.93Å; V23-A312 HydrophobicContact CB-CB 3.99Å; V23-A312 HydrophobicContact CG2-CB 3.83Å; V23-V313 HydrophobicContact CG1-CG2 4.26Å
24L98.6Very high95.9Very high0 Ų037.6 Ų37.60%021%0.214CC..EExtended strand (participates in β ladder)trans-103.5136.3163.9-68-179.1000109.8I9 F10 A11 L22 V31 L32 A33 L58 A61 M62 A65 L67 L73I9-L24 HydrophobicContact CG2-CD2 4.32Å; F10-L24 CarbonylContact O-C 3.6Å; F10-L24 WeakPolarHBondContact O-CA 3.31Å; A11-L24 HydrophobicContact CB-CD2 3.67Å; L22-L24 HydrophobicContact CD2-CD2 4.25Å; L22-L24 HydrophobicContact CD2-CG 4.17Å; L24-V31 CarbonylContact O-C 3.59Å; L24-V31 WeakPolarHBondContact O-CA 3.44Å; L24-L32 HydrophobicContact CB-CB 4.29Å; L24-L32 PolarHBondContact O-N 2.91Å; L24-A33 HydrophobicContact CB-CB 4.48Å; L24-A33 PolarHBondContact N-O 3.27Å; L24-L58 HydrophobicContact CD2-CD1 3.92Å; L24-A61 VanDerWaalsContact CD1-C 3.5Å; L24-A61 HydrophobicContact CD1-CB 3.69Å; L24-A61 HydrophobicContact CG-CB 3.86Å; L24-M62 HydrophobicContact CD1-CG 4.27Å; L24-M62 HydrophobicContact CD1-SD 3.7Å; L24-A65 HydrophobicContact CD1-CB 4.21Å; L24-L67 HydrophobicContact CD1-CD1 4.22Å; L24-L73 HydrophobicContact CD2-CD2 3.92Å
25M98.1Very high96Very high0 Ų036.8 Ų36.80%021%0.21CC..EExtended strand (participates in β ladder)trans-134149.4178.3-75.6167.470.500111.5F10 V23 G29 N30 V31 V313 C316 I327F10-M25 PolarHBondContact N-O 3.37Å; F10-M25 PolarHBondContact O-N 3.23Å; V23-M25 HydrophobicContact CG1-CG 3.71Å; V23-M25 HydrophobicContact CG1-SD 4Å; M25-G29 WeakPolarHBondContact CE-O 3.36Å; M25-N30 VanDerWaalsContact CA-O 3.24Å; M25-N30 WeakPolarHBondContact CA-O 3.39Å; M25-V31 HydrophobicContact CG-CG2 4.01Å; M25-V31 HydrophobicContact SD-CG2 4.47Å; M25-V313 HydrophobicContact CE-CG1 4.02Å; M25-V313 HydrophobicContact SD-CB 4.22Å; M25-V313 HydrophobicContact SD-CG1 3.87Å; M25-V313 HydrophobicContact SD-CG2 4.22Å; M25-C316 HydrophobicContact SD-CB 3.58Å; M25-C316 VanDerWaalsContact SD-CB 3.58Å; M25-I327 HydrophobicContact CE-CG2 3.94Å
26N96.5Very high96.1Very high11 Ų1141 Ų416%0.05924%0.235CC..  trans-90.5-179.5168.279.7-15000111.8E7 E28 G29 N30 L32E7-N26 VanDerWaalsContact OE1-CB 3.3Å; E7-N26 WeakPolarHBondContact OE1-CB 3.24Å; E7-N26 PolarHBondContact OE1-ND2 3.17Å; N26-E28 PolarHBondContact O-N 2.85Å; N26-E28 PolarHBondContact OD1-N 3.05Å; N26-E28 VanDerWaalsContact OD1-N 3.14Å; N26-G29 PolarHBondContact O-N 2.82Å; N26-G29 VanDerWaalsContact O-N 3.17Å; N26-G29 PolarHBondContact OD1-N 3.37Å; N26-N30 PolarHBondContact N-O 3.21Å; N26-N30 VanDerWaalsContact N-O 3.17Å; N26-N30 WeakPolarHBondContact OD1-CB 3.38Å; N26-N30 PolarHBondContact OD1-N 2.85Å; N26-L32 HydrophobicContact CB-CD1 4.22Å; N26-L32 HydrophobicContact CB-CD2 4.37Å; N26-L32 HydrophobicContact CB-CG 4.46Å
27S95.4Very high96.3Very high41 Ų4141 Ų4129%0.28724%0.235SC..THydrogen-bonded Turntrans-68-18.4179.946.50000114.8G29 P328S27-G29 VanDerWaalsContact C-N 3.27Å; S27-P328 VanDerWaalsContact O-CD 3.3Å; S27-P328 WeakPolarHBondContact O-CD 3.14Å
28E95.2Very high96.4Very high124 Ų12442.7 Ų42.758%0.57924%0.243SC*.THydrogen-bonded Turntrans-82.9-6.6175.9-59.4-178.5162.700112.5N26 N30N26-E28 PolarHBondContact O-N 2.85Å; N26-E28 PolarHBondContact OD1-N 3.05Å; N26-E28 VanDerWaalsContact OD1-N 3.14Å; E28-N30 PolarHBondContact OE2-ND2 2.84Å; E28-N30 VanDerWaalsContact OE2-ND2 3.12Å
29G94.8Very high96.5Very high16 Ų1639.6 Ų39.617%0.16522%0.222CC..  trans85.29.9-17700000114.2M25 N26 S27 I327M25-G29 WeakPolarHBondContact CE-O 3.36Å; N26-G29 PolarHBondContact O-N 2.82Å; N26-G29 VanDerWaalsContact O-N 3.17Å; N26-G29 PolarHBondContact OD1-N 3.37Å; S27-G29 VanDerWaalsContact C-N 3.27Å; G29-I327 VanDerWaalsContact CA-CG2 3.47Å
30N96.2Very high96.2Very high85 Ų8533.9 Ų33.946%0.45520%0.197SC..  trans-75131.8174.2-62.5-40.4000109.9M25 N26 E28 L32M25-N30 VanDerWaalsContact CA-O 3.24Å; M25-N30 WeakPolarHBondContact CA-O 3.39Å; N26-N30 PolarHBondContact N-O 3.21Å; N26-N30 VanDerWaalsContact N-O 3.17Å; N26-N30 WeakPolarHBondContact OD1-CB 3.38Å; N26-N30 PolarHBondContact OD1-N 2.85Å; E28-N30 PolarHBondContact OE2-ND2 2.84Å; E28-N30 VanDerWaalsContact OE2-ND2 3.12Å; N30-L32 PolarHBondContact O-N 3.43Å
31V97.7Very high95.3Very high71 Ų7134.7 Ų34.743%0.4320%0.203SC..EExtended strand (participates in β ladder)trans-75.6119.1171.6173.80000108.9V23 L24 M25 V313V23-V31 HydrophobicContact CG1-CG1 4.05Å; V23-V31 HydrophobicContact CG1-CG2 4.02Å; L24-V31 CarbonylContact O-C 3.59Å; L24-V31 WeakPolarHBondContact O-CA 3.44Å; M25-V31 HydrophobicContact CG-CG2 4.01Å; M25-V31 HydrophobicContact SD-CG2 4.47Å; V31-V313 HydrophobicContact CG2-CG2 4.2Å
32L98Very high93.8Very high66 Ų6636.2 Ų36.235%0.34621%0.212SC..EExtended strand (participates in β ladder)trans-89-35.1-179.9-57.2179.6000112.2I9 L24 N26 N30 A65I9-L32 HydrophobicContact CD1-CD1 3.82Å; L24-L32 HydrophobicContact CB-CB 4.29Å; L24-L32 PolarHBondContact O-N 2.91Å; N26-L32 HydrophobicContact CB-CD1 4.22Å; N26-L32 HydrophobicContact CB-CD2 4.37Å; N26-L32 HydrophobicContact CB-CG 4.46Å; N30-L32 PolarHBondContact O-N 3.43Å; L32-A65 HydrophobicContact CB-CB 4Å
33A98.4Very high92.3Very high7 Ų742.6 Ų42.66%0.05824%0.24CC..EExtended strand (participates in β ladder)trans-157.6153178.100000110.8V23 L24 A61 Q64 A65V23-A33 WeakPolarHBondContact CA-O 3.38Å; L24-A33 HydrophobicContact CB-CB 4.48Å; L24-A33 PolarHBondContact N-O 3.27Å; A33-A61 HydrophobicContact CB-CB 4.11Å; A33-A61 VanDerWaalsContact CB-O 3.3Å; A33-A61 WeakPolarHBondContact CB-O 3.3Å; A33-Q64 HydrophobicContact CB-CB 3.87Å; A33-A65 HydrophobicContact CB-CB 4.11Å
34E98.5Very high90.6Very high91 Ų9148.1 Ų48.143%0.42527%0.273SS..EExtended strand (participates in β ladder)trans-135.1129.8171.3-176176135.900109.5T21 L22 V23 Q64T21-E34 HydrophobicContact CG2-CG 3.65Å; L22-E34 CarbonylContact O-C 3.57Å; L22-E34 WeakPolarHBondContact O-CA 3.45Å; V23-E34 HydrophobicContact CG2-CB 4.25Å; V23-E34 HydrophobicContact CG2-CG 3.93Å; E34-Q64 PolarHBondContact O-OE1 3.38Å
35T98.5Very high89.5Confident8 Ų851 Ų515%0.04929%0.286CS..EExtended strand (participates in β ladder)trans-127.1148.9177.656.60000110.7T21 L22 L57 A61T21-T35 CarbonylContact C-O 3.19Å; T21-T35 VanDerWaalsContact CA-O 3.3Å; T21-T35 WeakPolarHBondContact CA-O 3.22Å; L22-T35 PolarHBondContact N-O 3.16Å; L22-T35 PolarHBondContact O-N 3.46Å; T35-L57 PolarHBondContact OG1-O 3.09Å; T35-A61 HydrophobicContact CG2-CB 3.76Å
36V97.9Very high88.8Confident87 Ų8754.8 Ų54.853%0.52731%0.311SS..EExtended strand (participates in β ladder)trans-129.2137.8-179-175.80000109.7K19 T20 T21K19-V36 HydrophobicContact CB-CG1 4.39Å; K19-V36 HydrophobicContact CD-CG1 4.42Å; T20-V36 CarbonylContact O-C 3.54Å; T20-V36 VanDerWaalsContact O-CA 3.32Å; T20-V36 WeakPolarHBondContact O-CA 3.24Å; T21-V36 HydrophobicContact CG2-CG2 4.29Å
37G96.1Very high88.3Confident18 Ų1860.7 Ų60.719%0.18633%0.332CS..EExtended strand (participates in β ladder)trans-147-169.1-179.300000113.4K19 T20K19-G37 CarbonylContact C-O 3.53Å; K19-G37 VanDerWaalsContact CA-O 3.31Å; K19-G37 WeakPolarHBondContact CA-O 3.22Å; T20-G37 PolarHBondContact N-O 3.48Å; T20-G37 PolarHBondContact O-N 3.45Å
38P92Very high87.9Confident75 Ų7562.8 Ų62.849%0.48735%0.347SS..EExtended strand (participates in β ladder)trans-65.3159.2-178.928.4-35.6000112.2T20 V53T20-P38 VanDerWaalsContact CB-O 3.27Å; T20-P38 WeakPolarHBondContact CB-O 3.47Å; T20-P38 PolarHBondContact N-O 3Å; T20-P38 PolarHBondContact OG1-O 3.16Å; P38-V53 HydrophobicContact CG-CG1 4.04Å; P38-V53 HydrophobicContact CG-CG2 3.78Å
39G89.5Confident87.6Confident6 Ų659.6 Ų59.66%0.06233%0.332CS..  trans-63.8153.8-179.800000114.7G16 K45G16-G39 CarbonylContact O-C 3.53Å; G16-G39 WeakPolarHBondContact O-CA 3.48Å; G39-K45 WeakPolarHBondContact O-CD 3.44Å; G39-K45 WeakPolarHBondContact O-CE 3.45Å
40T87.3Confident87.4Confident0 Ų058.9 Ų58.90%032%0.324CS..  trans-134.923.1-168.647.20000114.8G15 G16 T20 T42 V50 V53 F54G15-T40 VanDerWaalsContact CA-OG1 3.29Å; G15-T40 WeakPolarHBondContact CA-OG1 3.33Å; G16-T40 PolarHBondContact O-N 3.35Å; T20-T40 HydrophobicContact CG2-CG2 4.29Å; T20-T40 WeakPolarHBondContact OG1-CB 3.39Å; T20-T40 WeakPolarHBondContact OG1-CG2 3.4Å; T20-T40 PolarHBondContact OG1-N 3.22Å; T20-T40 PolarHBondContact OG1-OG1 3.43Å; T40-T42 PolarHBondContact O-N 2.88Å; T40-V50 HydrophobicContact CG2-CG1 4.37Å; T40-V50 WeakPolarHBondContact O-CG2 3.45Å; T40-V53 HydrophobicContact CG2-CB 3.64Å; T40-V53 HydrophobicContact CG2-CG1 3.53Å; T40-V53 HydrophobicContact CG2-CG2 4.14Å; T40-F54 HydrophobicContact CG2-CD1 4.13Å; T40-F54 HydrophobicContact CG2-CE1 3.55Å; T40-F54 HydrophobicContact CG2-CZ 4.16Å; T40-F54 WeakPolarHBondContact OG1-CE1 3.38Å
41T76.8Confident87.3Confident18 Ų1855.5 Ų55.511%0.1131%0.305CS..  trans-52125.3178.4-55.10000112.7A17 F43 V44 K45A17-T41 WeakPolarHBondContact CA-OG1 3.46Å; A17-T41 PolarHBondContact N-OG1 3.37Å; T41-F43 PolarHBondContact O-N 3.05Å; T41-V44 HydrophobicContact CG2-CG2 4.18Å; T41-V44 PolarHBondContact O-N 3.18Å; T41-K45 PolarHBondContact O-N 2.88Å
42T66.7Low87.1Confident35 Ų3558.1 Ų58.122%0.21531%0.307CS..THydrogen-bonded Turntrans-65.1-32.6-172.749.60000114.2T40 I80 S81 G82 F92T40-T42 PolarHBondContact O-N 2.88Å; T42-I80 HydrophobicContact CG2-CB 4.45Å; T42-I80 HydrophobicContact CG2-CD1 4.34Å; T42-I80 HydrophobicContact CG2-CG2 3.92Å; T42-S81 PolarHBondContact OG1-O 3.35Å; T42-G82 PolarHBondContact OG1-O 3.22Å; T42-F92 HydrophobicContact CG2-CE2 4.43Å
43F67Low86.9Confident135 Ų13555.1 Ų55.159%0.59229%0.291SS*.THydrogen-bonded Turntrans-80.1-19.4-178-71.8-65.8000114.8T41 G82T41-F43 PolarHBondContact O-N 3.05Å; F43-G82 VanDerWaalsContact CE2-CA 3.44Å; F43-G82 WeakPolarHBondContact CE2-O 3.5Å
44V64.3Low86.7Confident117 Ų11755 Ų5571%0.70929%0.29SS*.THydrogen-bonded Turntrans-103.4-30.5-174.3-176.50000111.2T41T41-V44 HydrophobicContact CG2-CG2 4.18Å; T41-V44 PolarHBondContact O-N 3.18Å
45K75.6Confident86.6Confident60 Ų6053.2 Ų53.226%0.26128%0.283SS..SBendtrans-110.2142.9-173.8-69.4-178172.6-71.10111.7G39 T41 E49 V50G39-K45 WeakPolarHBondContact O-CD 3.44Å; G39-K45 WeakPolarHBondContact O-CE 3.45Å; T41-K45 PolarHBondContact O-N 2.88Å; K45-E49 VanDerWaalsContact NZ-CD 3.35Å; K45-E49 IonicContact NZ-OE1 3.51Å; K45-E49 PolarHBondContact NZ-OE1 3.24Å; K45-E49 IonicContact NZ-OE2 3.59Å; K45-E49 PolarHBondContact NZ-OE2 2.85Å; K45-V50 HydrophobicContact CB-CG2 3.99Å
46P83.4Confident86.5Confident80 Ų8057.4 Ų57.452%0.51930%0.304SS..  trans-56.1144.4168-22.433.2000111.3S48 E49 V50P46-S48 PolarHBondContact O-N 2.73Å; P46-S48 VanDerWaalsContact O-N 3.17Å; P46-E49 WeakPolarHBondContact O-CB 3.34Å; P46-E49 PolarHBondContact O-N 2.48Å; P46-V50 PolarHBondContact O-N 3.04Å
47R85.4Confident86.5Confident135 Ų13554 Ų5451%0.50928%0.283SS..Hα-helixtrans-54.4-38.7179.6-59.7-177.3-158.9166.36.1112.6E49 V50 Y51 F92R47-E49 VanDerWaalsContact C-N 3.28Å; R47-E49 PolarHBondContact O-N 3.36Å; R47-V50 WeakPolarHBondContact O-CB 3.25Å; R47-V50 PolarHBondContact O-N 3.14Å; R47-Y51 HydrophobicContact CB-CE1 4.47Å; R47-Y51 HydrophobicContact CB-CE2 4.21Å; R47-Y51 WeakPolarHBondContact O-CD1 3.46Å; R47-Y51 PolarHBondContact O-N 2.93Å; R47-F92 HydrophobicContact CB-CE2 4.46Å; R47-F92 HydrophobicContact CG-CD2 4.11Å; R47-F92 HydrophobicContact CG-CE2 4.31Å
48S87.5Confident86.6Confident85 Ų8553.7 Ų53.759%0.59428%0.277SS*.Hα-helixtrans-60-37.4177.852.50000112.6P46 R52P46-S48 PolarHBondContact O-N 2.73Å; P46-S48 VanDerWaalsContact O-N 3.17Å; S48-R52 WeakPolarHBondContact O-CB 3.38Å; S48-R52 PolarHBondContact O-N 2.95Å
49E89Confident86.9Confident57 Ų5755.8 Ų55.827%0.26628%0.279SS..Hα-helixtrans-68.6-44.1176.1-167-172.7165.100110.8K45 P46 R47 Y51 R52 V53K45-E49 VanDerWaalsContact NZ-CD 3.35Å; K45-E49 IonicContact NZ-OE1 3.51Å; K45-E49 PolarHBondContact NZ-OE1 3.24Å; K45-E49 IonicContact NZ-OE2 3.59Å; K45-E49 PolarHBondContact NZ-OE2 2.85Å; P46-E49 WeakPolarHBondContact O-CB 3.34Å; P46-E49 PolarHBondContact O-N 2.48Å; R47-E49 VanDerWaalsContact C-N 3.28Å; R47-E49 PolarHBondContact O-N 3.36Å; E49-Y51 PolarHBondContact O-N 3.48Å; E49-R52 PolarHBondContact O-N 3.45Å; E49-V53 WeakPolarHBondContact O-CG2 3.32Å; E49-V53 PolarHBondContact O-N 3.01Å
50V90.5Very high87.3Confident1 Ų157.6 Ų57.61%0.00629%0.29CS..Hα-helixtrans-59.1-48.1176.91750000110.9T40 K45 P46 R47 R52 V53 F54 I80 F92T40-V50 HydrophobicContact CG2-CG1 4.37Å; T40-V50 WeakPolarHBondContact O-CG2 3.45Å; K45-V50 HydrophobicContact CB-CG2 3.99Å; P46-V50 PolarHBondContact O-N 3.04Å; R47-V50 WeakPolarHBondContact O-CB 3.25Å; R47-V50 PolarHBondContact O-N 3.14Å; V50-R52 PolarHBondContact O-N 2.9Å; V50-V53 PolarHBondContact O-N 3.2Å; V50-F54 HydrophobicContact CG1-CD2 3.99Å; V50-F54 HydrophobicContact CG1-CE1 4.2Å; V50-F54 HydrophobicContact CG1-CE2 3.27Å; V50-F54 HydrophobicContact CG1-CZ 3.39Å; V50-F54 WeakPolarHBondContact O-CG 3.49Å; V50-F54 PolarHBondContact O-N 3.31Å; V50-F54 VanDerWaalsContact O-N 3.09Å; V50-I80 HydrophobicContact CG1-CD1 4.5Å; V50-F92 HydrophobicContact CG1-CE2 4.23Å; V50-F92 HydrophobicContact CG1-CZ 3.83Å
51Y92.6Very high87.8Confident14 Ų1457.6 Ų57.66%0.05529%0.29CS..Hα-helixtrans-60-44.9176.9-60.7-16.8000112.1R47 E49 V53 F54 L55 F92 H95 F96R47-Y51 HydrophobicContact CB-CE1 4.47Å; R47-Y51 HydrophobicContact CB-CE2 4.21Å; R47-Y51 WeakPolarHBondContact O-CD1 3.46Å; R47-Y51 PolarHBondContact O-N 2.93Å; E49-Y51 PolarHBondContact O-N 3.48Å; Y51-V53 VanDerWaalsContact C-N 3.3Å; Y51-V53 PolarHBondContact O-N 2.96Å; Y51-F54 PolarHBondContact O-N 2.9Å; Y51-L55 WeakPolarHBondContact O-CB 3.32Å; Y51-L55 VanDerWaalsContact O-CG 3.29Å; Y51-L55 WeakPolarHBondContact O-CG 3.43Å; Y51-L55 PolarHBondContact O-N 2.97Å; Y51-F92 HydrophobicContact CD1-CE1 4.4Å; Y51-F92 HydrophobicContact CD1-CE2 4.31Å; Y51-F92 AromaticContact CD1-CZ 3.89Å; Y51-F92 HydrophobicContact CD1-CZ 3.89Å; Y51-F92 HydrophobicContact CE1-CD1 4.19Å; Y51-F92 HydrophobicContact CE1-CD2 4.12Å; Y51-F92 AromaticContact CE1-CE1 3.64Å; Y51-F92 HydrophobicContact CE1-CE1 3.64Å; Y51-F92 AromaticContact CE1-CE2 3.56Å; Y51-F92 HydrophobicContact CE1-CE2 3.56Å; Y51-F92 HydrophobicContact CE1-CG 4.42Å; Y51-F92 AromaticContact CE1-CZ 3.32Å; Y51-F92 HydrophobicContact CE1-CZ 3.32Å; Y51-F92 PolarHBondContact OH-O 3.35Å; Y51-H95 AromaticContact CE2-CD2 3.55Å; Y51-H95 AromaticContact CZ-CD2 3.94Å; Y51-H95 PolarHBondContact OH-CD2 3.15Å; Y51-F96 HydrophobicContact CD1-CB 4.48Å; Y51-F96 AromaticContact CD1-CD2 3.48Å; Y51-F96 HydrophobicContact CD1-CD2 3.48Å; Y51-F96 VanDerWaalsContact CD1-CD2 3.48Å; Y51-F96 HydrophobicContact CD1-CE2 4.18Å; Y51-F96 HydrophobicContact CD1-CG 4.4Å; Y51-F96 HydrophobicContact CD2-CD2 4.31Å; Y51-F96 HydrophobicContact CE1-CB 3.81Å; Y51-F96 AromaticContact CE1-CD2 3.69Å; Y51-F96 HydrophobicContact CE1-CD2 3.69Å; Y51-F96 HydrophobicContact CE1-CG 4.19Å; Y51-F96 AromaticContact CG-CD2 3.8Å; Y51-F96 HydrophobicContact CG-CD2 3.8Å; Y51-F96 HydrophobicContact CG-CE2 4.37Å; Y51-F96 PolarHBondContact OH-N 3.41Å
52R93.5Very high88.8Confident126 Ų12657.1 Ų57.148%0.47529%0.287SS..Hα-helixtrans-58.3-44178.6-176.1-172.264.3781.2111.3S48 E49 V50 L56S48-R52 WeakPolarHBondContact O-CB 3.38Å; S48-R52 PolarHBondContact O-N 2.95Å; E49-R52 PolarHBondContact O-N 3.45Å; V50-R52 PolarHBondContact O-N 2.9Å; R52-L56 HydrophobicContact CG-CD1 4.04Å; R52-L56 VanDerWaalsContact NH1-CD1 3.33Å; R52-L56 WeakPolarHBondContact O-CB 3.41Å; R52-L56 VanDerWaalsContact O-CG 3.24Å; R52-L56 WeakPolarHBondContact O-CG 3.38Å; R52-L56 PolarHBondContact O-N 3.24Å
53V94.6Very high90.3Very high2 Ų261 Ų611%0.01230%0.303CS..Hα-helixtrans-62.4-47177.4174.90000110.7P38 T40 E49 V50 Y51 L55 L56 L57P38-V53 HydrophobicContact CG-CG1 4.04Å; P38-V53 HydrophobicContact CG-CG2 3.78Å; T40-V53 HydrophobicContact CG2-CB 3.64Å; T40-V53 HydrophobicContact CG2-CG1 3.53Å; T40-V53 HydrophobicContact CG2-CG2 4.14Å; E49-V53 WeakPolarHBondContact O-CG2 3.32Å; E49-V53 PolarHBondContact O-N 3.01Å; V50-V53 PolarHBondContact O-N 3.2Å; Y51-V53 VanDerWaalsContact C-N 3.3Å; Y51-V53 PolarHBondContact O-N 2.96Å; V53-L55 PolarHBondContact O-N 2.95Å; V53-L56 PolarHBondContact O-N 2.95Å; V53-L57 HydrophobicContact CG1-CD1 3.94Å; V53-L57 HydrophobicContact CG1-CG 4.36Å; V53-L57 WeakPolarHBondContact O-CG 3.38Å; V53-L57 PolarHBondContact O-N 3.17Å
54F94.6Very high91.8Very high5 Ų560 Ų602%0.02230%0.3CS..Hα-helixtrans-62-44.3179.2-61.9-21.2000112.9V13 T20 T40 V50 Y51 L56 L57 L58 L78 I80 F92V13-F54 HydrophobicContact CG1-CD1 3.96Å; V13-F54 HydrophobicContact CG1-CE1 3.56Å; V13-F54 HydrophobicContact CG1-CZ 4.13Å; T20-F54 HydrophobicContact CG2-CD1 4.08Å; T20-F54 HydrophobicContact CG2-CE1 3.74Å; T40-F54 HydrophobicContact CG2-CD1 4.13Å; T40-F54 HydrophobicContact CG2-CE1 3.55Å; T40-F54 HydrophobicContact CG2-CZ 4.16Å; T40-F54 WeakPolarHBondContact OG1-CE1 3.38Å; V50-F54 HydrophobicContact CG1-CD2 3.99Å; V50-F54 HydrophobicContact CG1-CE1 4.2Å; V50-F54 HydrophobicContact CG1-CE2 3.27Å; V50-F54 HydrophobicContact CG1-CZ 3.39Å; V50-F54 WeakPolarHBondContact O-CG 3.49Å; V50-F54 PolarHBondContact O-N 3.31Å; V50-F54 VanDerWaalsContact O-N 3.09Å; Y51-F54 PolarHBondContact O-N 2.9Å; F54-L56 VanDerWaalsContact C-N 3.34Å; F54-L56 PolarHBondContact O-N 2.92Å; F54-L57 PolarHBondContact O-N 3.09Å; F54-L58 VanDerWaalsContact O-CB 3.24Å; F54-L58 WeakPolarHBondContact O-CB 3.45Å; F54-L58 PolarHBondContact O-N 3.42Å; F54-L78 HydrophobicContact CD2-CD1 4.35Å; F54-L78 HydrophobicContact CD2-CD2 3.86Å; F54-L78 HydrophobicContact CE2-CD1 4.09Å; F54-L78 HydrophobicContact CE2-CD2 3.82Å; F54-L78 HydrophobicContact CE2-CG 4.47Å; F54-L78 HydrophobicContact CG-CD2 4.43Å; F54-L78 HydrophobicContact CZ-CD2 4.38Å; F54-I80 HydrophobicContact CE2-CD1 3.61Å; F54-I80 HydrophobicContact CZ-CD1 3.38Å; F54-I80 HydrophobicContact CZ-CG1 3.97Å; F54-F92 HydrophobicContact CE2-CZ 4.36Å
55L95.6Very high93.4Very high54 Ų5455.8 Ų55.828%0.28328%0.278SS..Hα-helixtrans-65.8-37.2179.6-67.3170.6000112Y51 V53 K59 F96 N100 I103Y51-L55 WeakPolarHBondContact O-CB 3.32Å; Y51-L55 VanDerWaalsContact O-CG 3.29Å; Y51-L55 WeakPolarHBondContact O-CG 3.43Å; Y51-L55 PolarHBondContact O-N 2.97Å; V53-L55 PolarHBondContact O-N 2.95Å; L55-K59 WeakPolarHBondContact O-CB 3.3Å; L55-K59 PolarHBondContact O-N 2.78Å; L55-F96 HydrophobicContact CD2-CE2 4.49Å; L55-F96 HydrophobicContact CD2-CZ 4.38Å; L55-N100 WeakPolarHBondContact CD1-OD1 3.33Å; L55-I103 HydrophobicContact CD2-CD1 3.78Å; L55-I103 HydrophobicContact CD2-CG1 3.92Å
56L97.1Very high94.4Very high96 Ų9656.3 Ų56.350%0.50330%0.3SS..Hα-helixtrans-65.6-45.5174.7-74.8170.5000111.9R52 V53 F54 K59 S60R52-L56 HydrophobicContact CG-CD1 4.04Å; R52-L56 VanDerWaalsContact NH1-CD1 3.33Å; R52-L56 WeakPolarHBondContact O-CB 3.41Å; R52-L56 VanDerWaalsContact O-CG 3.24Å; R52-L56 WeakPolarHBondContact O-CG 3.38Å; R52-L56 PolarHBondContact O-N 3.24Å; V53-L56 PolarHBondContact O-N 2.95Å; F54-L56 VanDerWaalsContact C-N 3.34Å; F54-L56 PolarHBondContact O-N 2.92Å; L56-K59 PolarHBondContact O-N 2.91Å; L56-S60 PolarHBondContact O-N 2.79Å; L56-S60 VanDerWaalsContact O-N 3.1Å
57L98.2Very high95Very high14 Ų1454.7 Ų54.77%0.07329%0.287CS..Hα-helixtrans-64.2-42.7176.6-69.9178.4000111.6T20 L22 T35 V53 F54 K59 S60 A61T20-L57 HydrophobicContact CG2-CD1 3.71Å; L22-L57 HydrophobicContact CB-CB 4.05Å; L22-L57 HydrophobicContact CB-CD1 4.49Å; L22-L57 HydrophobicContact CD1-CB 4.17Å; T35-L57 PolarHBondContact OG1-O 3.09Å; V53-L57 HydrophobicContact CG1-CD1 3.94Å; V53-L57 HydrophobicContact CG1-CG 4.36Å; V53-L57 WeakPolarHBondContact O-CG 3.38Å; V53-L57 PolarHBondContact O-N 3.17Å; F54-L57 PolarHBondContact O-N 3.09Å; L57-K59 PolarHBondContact O-N 2.84Å; L57-S60 PolarHBondContact O-N 2.83Å; L57-A61 WeakPolarHBondContact O-CB 3.26Å; L57-A61 PolarHBondContact O-N 2.95Å
58L98Very high95.4Very high12 Ų1251.1 Ų51.16%0.06328%0.283CS..Hα-helixtrans-62.3-46.1178.6179.759.5000111.2A11 L22 L24 F54 S60 A61 M62 L73 I103A11-L58 HydrophobicContact CB-CD1 4.47Å; L22-L58 HydrophobicContact CD1-CB 3.88Å; L22-L58 HydrophobicContact CD1-CD1 4.27Å; L22-L58 HydrophobicContact CD2-CD1 4.39Å; L24-L58 HydrophobicContact CD2-CD1 3.92Å; F54-L58 VanDerWaalsContact O-CB 3.24Å; F54-L58 WeakPolarHBondContact O-CB 3.45Å; F54-L58 PolarHBondContact O-N 3.42Å; L58-S60 VanDerWaalsContact C-N 3.33Å; L58-S60 PolarHBondContact O-N 3.15Å; L58-A61 PolarHBondContact O-N 3.48Å; L58-M62 HydrophobicContact CD1-CE 4.1Å; L58-M62 HydrophobicContact CD1-CG 4.26Å; L58-M62 HydrophobicContact CG-CG 4.47Å; L58-M62 WeakPolarHBondContact O-CG 3.44Å; L58-M62 PolarHBondContact O-N 3.49Å; L58-L73 HydrophobicContact CD1-CD1 3.93Å; L58-L73 HydrophobicContact CD2-CD1 3.94Å; L58-I103 HydrophobicContact CD2-CD1 4.23Å; L58-I103 HydrophobicContact CD2-CG2 3.66Å
59K97.5Very high95.6Very high120 Ų12051.8 Ų51.852%0.52229%0.285SS..Hα-helixtrans-56.4-48.8175.7179.8-179.9172.6-1780111.1L55 L56 L57 A61 M62 E63L55-K59 WeakPolarHBondContact O-CB 3.3Å; L55-K59 PolarHBondContact O-N 2.78Å; L56-K59 PolarHBondContact O-N 2.91Å; L57-K59 PolarHBondContact O-N 2.84Å; K59-A61 VanDerWaalsContact C-N 3.32Å; K59-A61 PolarHBondContact O-N 3.2Å; K59-M62 PolarHBondContact O-N 2.91Å; K59-E63 WeakPolarHBondContact CE-OE1 3.41Å; K59-E63 WeakPolarHBondContact O-CG 3.35Å; K59-E63 PolarHBondContact O-N 3.36Å
60S98.2Very high95.7Very high44 Ų4455.5 Ų55.531%0.30831%0.307SS..Hα-helixtrans-62.6-38.3178.7-178.20000112.3L56 L57 L58 E63 Q64L56-S60 PolarHBondContact O-N 2.79Å; L56-S60 VanDerWaalsContact O-N 3.1Å; L57-S60 PolarHBondContact O-N 2.83Å; L58-S60 VanDerWaalsContact C-N 3.33Å; L58-S60 PolarHBondContact O-N 3.15Å; S60-E63 PolarHBondContact O-N 2.89Å; S60-Q64 WeakPolarHBondContact O-CG 3.38Å; S60-Q64 PolarHBondContact O-N 2.84Å
61A98.3Very high95.9Very high0 Ų056.7 Ų56.70%031%0.314CS..Hα-helixtrans-69.5-38.9178.300000112.1L22 L24 A33 T35 L57 L58 K59 Q64 A65L22-A61 HydrophobicContact CD2-CB 3.53Å; L24-A61 VanDerWaalsContact CD1-C 3.5Å; L24-A61 HydrophobicContact CD1-CB 3.69Å; L24-A61 HydrophobicContact CG-CB 3.86Å; A33-A61 HydrophobicContact CB-CB 4.11Å; A33-A61 VanDerWaalsContact CB-O 3.3Å; A33-A61 WeakPolarHBondContact CB-O 3.3Å; T35-A61 HydrophobicContact CG2-CB 3.76Å; L57-A61 WeakPolarHBondContact O-CB 3.26Å; L57-A61 PolarHBondContact O-N 2.95Å; L58-A61 PolarHBondContact O-N 3.48Å; K59-A61 VanDerWaalsContact C-N 3.32Å; K59-A61 PolarHBondContact O-N 3.2Å; A61-Q64 PolarHBondContact O-N 2.84Å; A61-A65 WeakPolarHBondContact O-CB 3.36Å; A61-A65 PolarHBondContact O-N 3.07Å
62M97.9Very high96.1Very high8 Ų860.4 Ų60.44%0.03933%0.33CS..Hα-helixtrans-61.5-44.4174.3-70.1-63.2-160.700111.2L24 L58 K59 A65 G66 L67 T71 L73L24-M62 HydrophobicContact CD1-CG 4.27Å; L24-M62 HydrophobicContact CD1-SD 3.7Å; L58-M62 HydrophobicContact CD1-CE 4.1Å; L58-M62 HydrophobicContact CD1-CG 4.26Å; L58-M62 HydrophobicContact CG-CG 4.47Å; L58-M62 WeakPolarHBondContact O-CG 3.44Å; L58-M62 PolarHBondContact O-N 3.49Å; K59-M62 PolarHBondContact O-N 2.91Å; M62-A65 PolarHBondContact O-N 3.46Å; M62-G66 PolarHBondContact O-N 2.64Å; M62-G66 VanDerWaalsContact O-N 3.13Å; M62-L67 HydrophobicContact CB-CB 4.35Å; M62-L67 PolarHBondContact O-N 3.21Å; M62-L67 HydrophobicContact SD-CB 3.73Å; M62-L67 HydrophobicContact SD-CD1 3.57Å; M62-L67 VanDerWaalsContact SD-CD1 3.57Å; M62-L67 HydrophobicContact SD-CG 4.31Å; M62-T71 HydrophobicContact CE-CG2 4.29Å; M62-L73 HydrophobicContact CE-CD2 3.48Å; M62-L73 VanDerWaalsContact CE-CD2 3.48Å; M62-L73 HydrophobicContact CE-CG 3.91Å
63E97.9Very high96.3Very high116 Ų11654.4 Ų54.454%0.54231%0.308SS..Hα-helixtrans-60.7-45.6175.4-71.9170.3-176.600111.7K59 S60 A65 G66K59-E63 WeakPolarHBondContact CE-OE1 3.41Å; K59-E63 WeakPolarHBondContact O-CG 3.35Å; K59-E63 PolarHBondContact O-N 3.36Å; S60-E63 PolarHBondContact O-N 2.89Å; E63-A65 VanDerWaalsContact C-N 3.33Å; E63-A65 PolarHBondContact O-N 2.97Å; E63-G66 PolarHBondContact O-N 2.68Å; E63-G66 VanDerWaalsContact O-N 3.17Å
64Q98.2Very high96.4Very high113 Ų11354.5 Ų54.553%0.52831%0.308SS..Hα-helixtrans-62.9-36.9176.5-73.9178.315.500113.1A33 E34 S60 A61 G66A33-Q64 HydrophobicContact CB-CB 3.87Å; E34-Q64 PolarHBondContact O-OE1 3.38Å; S60-Q64 WeakPolarHBondContact O-CG 3.38Å; S60-Q64 PolarHBondContact O-N 2.84Å; A61-Q64 PolarHBondContact O-N 2.84Å; Q64-G66 PolarHBondContact O-N 2.95Å
65A97.2Very high96.6Very high30 Ų3054.3 Ų54.325%0.24831%0.307CS..THydrogen-bonded Turntrans-79.2-3.4177.800000113.5L24 L32 A33 A61 M62 E63 L67L24-A65 HydrophobicContact CD1-CB 4.21Å; L32-A65 HydrophobicContact CB-CB 4Å; A33-A65 HydrophobicContact CB-CB 4.11Å; A61-A65 WeakPolarHBondContact O-CB 3.36Å; A61-A65 PolarHBondContact O-N 3.07Å; M62-A65 PolarHBondContact O-N 3.46Å; E63-A65 VanDerWaalsContact C-N 3.33Å; E63-A65 PolarHBondContact O-N 2.97Å; A65-L67 HydrophobicContact CB-CD1 3.88Å; A65-L67 HydrophobicContact CB-CG 3.92Å; A65-L67 PolarHBondContact O-N 2.69Å
66G96.5Very high96.7Very high71 Ų7151.9 Ų51.973%0.73230%0.295SS*.THydrogen-bonded Turntrans67.321.8-17500000113.9M62 E63 Q64M62-G66 PolarHBondContact O-N 2.64Å; M62-G66 VanDerWaalsContact O-N 3.13Å; E63-G66 PolarHBondContact O-N 2.68Å; E63-G66 VanDerWaalsContact O-N 3.17Å; Q64-G66 PolarHBondContact O-N 2.95Å
67L96.1Very high96.7Very high45 Ų4547.3 Ų47.324%0.23627%0.271CS..  trans-89.4149.2-180-66172.8000111I9 L24 M62 A65I9-L67 HydrophobicContact CD1-CD1 4.41Å; I9-L67 HydrophobicContact CG1-CD1 4.21Å; I9-L67 HydrophobicContact CG2-CD1 4.04Å; L24-L67 HydrophobicContact CD1-CD1 4.22Å; M62-L67 HydrophobicContact CB-CB 4.35Å; M62-L67 PolarHBondContact O-N 3.21Å; M62-L67 HydrophobicContact SD-CB 3.73Å; M62-L67 HydrophobicContact SD-CD1 3.57Å; M62-L67 VanDerWaalsContact SD-CD1 3.57Å; M62-L67 HydrophobicContact SD-CG 4.31Å; A65-L67 HydrophobicContact CB-CD1 3.88Å; A65-L67 HydrophobicContact CB-CG 3.92Å; A65-L67 PolarHBondContact O-N 2.69Å
68S94.7Very high96.6Very high61 Ų6146.7 Ų46.743%0.42727%0.267SS..  trans-60.6138.5172179.70000110.6D70 T71S68-D70 PolarHBondContact O-N 2.91Å; S68-D70 VanDerWaalsContact O-N 3.1Å; S68-D70 PolarHBondContact OG-N 3.18Å; S68-T71 PolarHBondContact N-OG1 2.71Å; S68-T71 VanDerWaalsContact O-CB 3.23Å; S68-T71 WeakPolarHBondContact O-CB 2.98Å; S68-T71 PolarHBondContact O-N 3.34Å; S68-T71 PolarHBondContact O-OG1 2.8Å
69P91.2Very high96.6Very high98 Ų9846.1 Ų46.164%0.63626%0.264SS*.THydrogen-bonded Turntrans-57.7-21.1170.5-25.134.7000114
70D92Very high96.4Very high136 Ų13640.4 Ų40.473%0.72724%0.239SC*.THydrogen-bonded Turntrans-88.9-1.6176.9-69.1-48.1000113.6S68 K72S68-D70 PolarHBondContact O-N 2.91Å; S68-D70 VanDerWaalsContact O-N 3.1Å; S68-D70 PolarHBondContact OG-N 3.18Å; D70-K72 PolarHBondContact O-N 2.99Å; D70-K72 VanDerWaalsContact O-N 3.09Å
71T94.8Very high96.1Very high26 Ų2640 Ų4016%0.1624%0.237CC..  trans-59.8114.9176.8-64.50000109.9I9 M62 S68 L73I9-T71 HydrophobicContact CG1-CG2 4.41Å; M62-T71 HydrophobicContact CE-CG2 4.29Å; S68-T71 PolarHBondContact N-OG1 2.71Å; S68-T71 VanDerWaalsContact O-CB 3.23Å; S68-T71 WeakPolarHBondContact O-CB 2.98Å; S68-T71 PolarHBondContact O-N 3.34Å; S68-T71 PolarHBondContact O-OG1 2.8Å; T71-L73 PolarHBondContact O-N 2.89Å
72K96Very high95.6Very high92 Ų9240.5 Ų40.540%0.424%0.242SC..  trans-81.3115177.3-176.4164.2-169.4170.70110.1D70 P101 K102 K105D70-K72 PolarHBondContact O-N 2.99Å; D70-K72 VanDerWaalsContact O-N 3.09Å; K72-P101 PolarHBondContact NZ-O 3.17Å; K72-P101 VanDerWaalsContact NZ-O 3.08Å; K72-K102 WeakPolarHBondContact CG-O 3.27Å; K72-K105 HydrophobicContact CD-CG 4.27Å; K72-K105 HydrophobicContact CG-CG 4.29Å
73L97.7Very high95.2Very high0 Ų040.2 Ų40.20%024%0.241CC..EExtended strand (participates in β ladder)trans-58.9142.3177.5-62.1168.2000111.2I9 A11 L24 L58 M62 T71 L76 I103 A104 K105I9-L73 HydrophobicContact CB-CD2 4.26Å; I9-L73 HydrophobicContact CG2-CD2 3.7Å; A11-L73 HydrophobicContact CB-CD1 3.52Å; A11-L73 HydrophobicContact CB-CD2 4.03Å; A11-L73 HydrophobicContact CB-CG 4.39Å; L24-L73 HydrophobicContact CD2-CD2 3.92Å; L58-L73 HydrophobicContact CD1-CD1 3.93Å; L58-L73 HydrophobicContact CD2-CD1 3.94Å; M62-L73 HydrophobicContact CE-CD2 3.48Å; M62-L73 VanDerWaalsContact CE-CD2 3.48Å; M62-L73 HydrophobicContact CE-CG 3.91Å; T71-L73 PolarHBondContact O-N 2.89Å; L73-L76 HydrophobicContact CD1-CB 4.32Å; L73-I103 WeakPolarHBondContact CB-O 3.28Å; L73-I103 HydrophobicContact CD1-CG2 4.27Å; L73-I103 WeakPolarHBondContact CG-O 3.24Å; L73-I103 PolarHBondContact N-O 2.96Å; L73-A104 HydrophobicContact CB-CB 3.84Å; L73-A104 HydrophobicContact CD1-CB 4.41Å; L73-A104 CarbonylContact O-C 3.6Å; L73-A104 VanDerWaalsContact O-CA 3.25Å; L73-A104 WeakPolarHBondContact O-CA 3.41Å; L73-K105 PolarHBondContact O-N 3.24Å
74T97.6Very high94.6Very high4 Ų438.2 Ų38.23%0.02523%0.232CC..EExtended strand (participates in β ladder)trans-65.3-48.1169.7-63.50000110.2P8 I9 F10 K105 H106 Y325P8-T74 WeakPolarHBondContact CA-OG1 3.34Å; P8-T74 HydrophobicContact CB-CG2 4.34Å; P8-T74 WeakPolarHBondContact CB-OG1 3.34Å; I9-T74 WeakPolarHBondContact O-CB 3.1Å; I9-T74 PolarHBondContact O-N 3.13Å; F10-T74 HydrophobicContact CD1-CG2 4.25Å; F10-T74 HydrophobicContact CE1-CG2 3.57Å; F10-T74 HydrophobicContact CZ-CG2 4.1Å; T74-K105 WeakPolarHBondContact O-CB 3.27Å; T74-H106 PolarHBondContact O-CD2 3.3Å; T74-H106 PolarHBondContact O-N 3.14Å; T74-Y325 HydrophobicContact CG2-CD2 3.55Å; T74-Y325 HydrophobicContact CG2-CE1 4.16Å; T74-Y325 HydrophobicContact CG2-CE2 3.13Å; T74-Y325 HydrophobicContact CG2-CG 4.23Å; T74-Y325 VanDerWaalsContact CG2-CZ 3.47Å
75S97.9Very high94Very high0 Ų037.1 Ų37.10%023%0.226CC..EExtended strand (participates in β ladder)trans-147.6154.4170.270.90000112.8F10 A11 H106 A319 A320F10-S75 WeakPolarHBondContact CD1-OG 3.45Å; A11-S75 PolarHBondContact N-O 2.88Å; S75-H106 CarbonylContact C-O 3.37Å; S75-H106 WeakPolarHBondContact CA-O 3.22Å; S75-A319 VanDerWaalsContact OG-C 3.26Å; S75-A319 WeakPolarHBondContact OG-CB 3.25Å; S75-A320 PolarHBondContact OG-N 3.02Å
76L97.9Very high93.4Very high4 Ų441.7 Ų41.72%0.02125%0.246CC..EExtended strand (participates in β ladder)trans-122.7114.5171.517262.9000109.4A11 V13 L73 L78 F96 I103 A104 H106 V107 V108A11-L76 HydrophobicContact CB-CD1 3.63Å; A11-L76 CarbonylContact O-C 3.39Å; A11-L76 WeakPolarHBondContact O-CA 3.36Å; V13-L76 HydrophobicContact CG2-CD1 4.14Å; L73-L76 HydrophobicContact CD1-CB 4.32Å; L76-L78 HydrophobicContact CD1-CD2 3.89Å; L76-L78 HydrophobicContact CD2-CD2 4.09Å; L76-L78 HydrophobicContact CD2-CG 4.47Å; L76-L78 HydrophobicContact CG-CD2 3.88Å; L76-L78 HydrophobicContact CG-CG 4.17Å; L76-F96 HydrophobicContact CD2-CE1 3.71Å; L76-F96 HydrophobicContact CD2-CZ 3.94Å; L76-I103 HydrophobicContact CD2-CG2 4.34Å; L76-A104 HydrophobicContact CB-CB 3.91Å; L76-H106 PolarHBondContact N-O 3.17Å; L76-V107 HydrophobicContact CB-CG2 4.32Å; L76-V107 HydrophobicContact CD2-CG1 4.41Å; L76-V107 WeakPolarHBondContact O-CA 3.47Å; L76-V108 PolarHBondContact O-N 3.03Å
77G97.6Very high93Very high0 Ų042.3 Ų42.30%024%0.238CC..EExtended strand (participates in β ladder)trans-95.8124.2172.700000111.3A11 G12 V13 A319A11-G77 PolarHBondContact O-N 2.98Å; G12-G77 CarbonylContact C-O 3.35Å; G12-G77 WeakPolarHBondContact CA-O 3.32Å; V13-G77 PolarHBondContact N-O 3.09Å; G77-A319 VanDerWaalsContact CA-CB 3.45Å
78L96.3Very high92.6Very high0 Ų045.2 Ų45.20%025%0.25CS..EExtended strand (participates in β ladder)trans-110.896.8177.3-57.9177.4000108.4V13 F54 L76 I80 F92 V107 V108 L109 M110V13-L78 HydrophobicContact CB-CD2 3.84Å; V13-L78 HydrophobicContact CG1-CD2 4.45Å; V13-L78 HydrophobicContact CG2-CD2 3.68Å; F54-L78 HydrophobicContact CD2-CD1 4.35Å; F54-L78 HydrophobicContact CD2-CD2 3.86Å; F54-L78 HydrophobicContact CE2-CD1 4.09Å; F54-L78 HydrophobicContact CE2-CD2 3.82Å; F54-L78 HydrophobicContact CE2-CG 4.47Å; F54-L78 HydrophobicContact CG-CD2 4.43Å; F54-L78 HydrophobicContact CZ-CD2 4.38Å; L76-L78 HydrophobicContact CD1-CD2 3.89Å; L76-L78 HydrophobicContact CD2-CD2 4.09Å; L76-L78 HydrophobicContact CD2-CG 4.47Å; L76-L78 HydrophobicContact CG-CD2 3.88Å; L76-L78 HydrophobicContact CG-CG 4.17Å; L78-I80 HydrophobicContact CB-CD1 4.01Å; L78-I80 HydrophobicContact CB-CG1 4.15Å; L78-F92 HydrophobicContact CD1-CE1 3.87Å; L78-V107 HydrophobicContact CD1-CG1 4.15Å; L78-V108 PolarHBondContact N-O 3.05Å; L78-L109 HydrophobicContact CB-CD1 3.88Å; L78-L109 CarbonylContact O-C 3.59Å; L78-L109 WeakPolarHBondContact O-CA 3.18Å; L78-L109 VanDerWaalsContact O-CD1 3.26Å; L78-L109 WeakPolarHBondContact O-CD1 3.44Å; L78-M110 PolarHBondContact O-N 3.24Å; L78-M110 VanDerWaalsContact O-O 3.11Å
79A96.6Very high92.4Very high0 Ų043.1 Ų43.10%023%0.234CC..EExtended strand (participates in β ladder)trans-92.197.6171.600000108.6V13 D14 G15 M110 A315V13-A79 WeakPolarHBondContact O-CA 3.43Å; V13-A79 WeakPolarHBondContact O-CB 3.16Å; V13-A79 PolarHBondContact O-N 2.83Å; D14-A79 WeakPolarHBondContact CA-O 3.46Å; G15-A79 PolarHBondContact N-O 3.5Å; A79-M110 CarbonylContact C-O 3.58Å; A79-M110 WeakPolarHBondContact CA-O 3.47Å; A79-M110 HydrophobicContact CB-CG 3.78Å; A79-M110 HydrophobicContact CB-SD 4.31Å; A79-A315 HydrophobicContact CB-CB 3.92Å
80I94.1Very high92.5Very high0 Ų041.4 Ų41.40%023%0.228CC..EExtended strand (participates in β ladder)trans-120139.3-171.4-49.8170.4000110.2G15 T42 V50 F54 L78 G82 A83 F92 L109 M110 D112G15-I80 WeakPolarHBondContact O-CA 3.44Å; T42-I80 HydrophobicContact CG2-CB 4.45Å; T42-I80 HydrophobicContact CG2-CD1 4.34Å; T42-I80 HydrophobicContact CG2-CG2 3.92Å; V50-I80 HydrophobicContact CG1-CD1 4.5Å; F54-I80 HydrophobicContact CE2-CD1 3.61Å; F54-I80 HydrophobicContact CZ-CD1 3.38Å; F54-I80 HydrophobicContact CZ-CG1 3.97Å; L78-I80 HydrophobicContact CB-CD1 4.01Å; L78-I80 HydrophobicContact CB-CG1 4.15Å; I80-G82 PolarHBondContact O-N 3.48Å; I80-A83 HydrophobicContact CB-CB 4.46Å; I80-A83 VanDerWaalsContact O-CB 3.28Å; I80-A83 WeakPolarHBondContact O-CB 3.36Å; I80-A83 PolarHBondContact O-N 3.47Å; I80-F92 HydrophobicContact CD1-CZ 4.36Å; I80-L109 HydrophobicContact CB-CD1 4.17Å; I80-L109 HydrophobicContact CD1-CD1 3.62Å; I80-L109 HydrophobicContact CG1-CD1 3.92Å; I80-M110 PolarHBondContact N-O 3.35Å; I80-D112 PolarHBondContact O-N 2.98Å
81S91.2Very high92.4Very high36 Ų3637.2 Ų37.225%0.25221%0.212SC..THydrogen-bonded Turntrans-60.1126.8171.1-157.50000111.1G15 T42 D112G15-S81 PolarHBondContact O-N 3.46Å; T42-S81 PolarHBondContact OG1-O 3.35Å; S81-D112 VanDerWaalsContact CA-OD2 3.23Å; S81-D112 WeakPolarHBondContact CA-OD2 3.31Å; S81-D112 WeakPolarHBondContact CB-OD2 3.1Å; S81-D112 PolarHBondContact OG-OD2 2.94Å
82G87.5Confident92.3Very high10 Ų1036.5 Ų36.510%0.10321%0.207CC..THydrogen-bonded Turntrans91.47.5-176.200000115.2T42 F43 I80 E84T42-G82 PolarHBondContact OG1-O 3.22Å; F43-G82 VanDerWaalsContact CE2-CA 3.44Å; F43-G82 WeakPolarHBondContact CE2-O 3.5Å; I80-G82 PolarHBondContact O-N 3.48Å; G82-E84 WeakPolarHBondContact CA-OE2 3.23Å; G82-E84 PolarHBondContact O-N 3.09Å
83A90.3Very high92.2Very high3 Ų332.9 Ų32.93%0.02519%0.193CC..  trans-95.149.4178.400000112.8I80 N89 L109 M110 S111I80-A83 HydrophobicContact CB-CB 4.46Å; I80-A83 VanDerWaalsContact O-CB 3.28Å; I80-A83 WeakPolarHBondContact O-CB 3.36Å; I80-A83 PolarHBondContact O-N 3.47Å; A83-N89 WeakPolarHBondContact CA-OD1 3.35Å; A83-N89 PolarHBondContact O-ND2 3.17Å; A83-L109 HydrophobicContact CB-CD1 3.62Å; A83-L109 HydrophobicContact CB-CD2 4.37Å; A83-L109 HydrophobicContact CB-CG 3.89Å; A83-M110 WeakPolarHBondContact CB-O 3.29Å; A83-S111 PolarHBondContact O-N 3.02Å
84E85.9Confident92Very high74 Ų7435.5 Ų35.535%0.34621%0.214SC..  trans-95.6-6.9179.7-58.784.7173.800114.6G82 R137G82-E84 WeakPolarHBondContact CA-OE2 3.23Å; G82-E84 PolarHBondContact O-N 3.09Å; E84-R137 IonicContact OE1-NH2 3.65Å
85H84.2Confident91.9Very high90 Ų9039 Ų3942%0.41723%0.23SC..  trans-109.9101.9-174.5-174.8-137.9000112.5P87 Q88 N89H85-P87 WeakPolarHBondContact NE2-CD 3.32Å; H85-Q88 HydrophobicContact CB-CB 4.46Å; H85-Q88 VanDerWaalsContact ND1-CG 3.32Å; H85-Q88 WeakPolarHBondContact ND1-CG 3.04Å; H85-Q88 PolarHBondContact ND1-NE2 3.23Å; H85-Q88 PolarHBondContact O-N 3.07Å; H85-N89 PolarHBondContact O-N 2.98Å
86D86.5Confident91.7Very high125 Ų12539.1 Ų39.167%0.66823%0.231SC*.Hα-helixtrans-52.2-45.9-170.9-65.6-20.5000115.5Q88 N89 A90D86-Q88 VanDerWaalsContact C-N 3.33Å; D86-Q88 PolarHBondContact O-N 3.2Å; D86-N89 PolarHBondContact O-N 3.23Å; D86-A90 WeakPolarHBondContact O-CB 3.46Å; D86-A90 PolarHBondContact O-N 3.2Å
87P87.8Confident91.5Very high85 Ų8542.3 Ų42.355%0.55225%0.246SC*.Hα-helixtrans-61.1-39.5177.9-24.135.1000113.3H85 A91H85-P87 WeakPolarHBondContact NE2-CD 3.32Å; P87-A91 PolarHBondContact O-N 3.25Å; P87-A91 VanDerWaalsContact O-N 3.16Å
88Q87.3Confident91.4Very high106 Ų10649.6 Ų49.650%0.49528%0.28SS..Hα-helixtrans-70.4-39.1176.6-75.6175.925.900111.2H85 D86 A91 F92H85-Q88 HydrophobicContact CB-CB 4.46Å; H85-Q88 VanDerWaalsContact ND1-CG 3.32Å; H85-Q88 WeakPolarHBondContact ND1-CG 3.04Å; H85-Q88 PolarHBondContact ND1-NE2 3.23Å; H85-Q88 PolarHBondContact O-N 3.07Å; D86-Q88 VanDerWaalsContact C-N 3.33Å; D86-Q88 PolarHBondContact O-N 3.2Å; Q88-A91 PolarHBondContact O-N 3.1Å; Q88-F92 WeakPolarHBondContact O-CB 3.32Å; Q88-F92 PolarHBondContact O-N 3.46Å
89N90.9Very high91.3Very high16 Ų1652.5 Ų52.59%0.08630%0.3CS..Hα-helixtrans-62-44.5176.1-68.8-14000111.5A83 H85 D86 A91 F92 V93 L109A83-N89 WeakPolarHBondContact CA-OD1 3.35Å; A83-N89 PolarHBondContact O-ND2 3.17Å; H85-N89 PolarHBondContact O-N 2.98Å; D86-N89 PolarHBondContact O-N 3.23Å; N89-A91 PolarHBondContact O-N 3.02Å; N89-F92 WeakPolarHBondContact O-CB 3.38Å; N89-F92 PolarHBondContact O-N 3.42Å; N89-V93 WeakPolarHBondContact O-CG2 3.26Å; N89-V93 PolarHBondContact O-N 3.45Å; N89-L109 HydrophobicContact CB-CB 4.36Å; N89-L109 HydrophobicContact CB-CD2 3.8Å; N89-L109 HydrophobicContact CB-CG 4.03Å; N89-L109 WeakPolarHBondContact OD1-CD2 3.19Å
90A91.7Very high91.2Very high62 Ų6254.1 Ų54.151%0.51231%0.309SS..Hα-helixtrans-61.6-44.2177.300000111.9D86 F92 V93 A94D86-A90 WeakPolarHBondContact O-CB 3.46Å; D86-A90 PolarHBondContact O-N 3.2Å; A90-F92 VanDerWaalsContact C-N 3.33Å; A90-F92 PolarHBondContact O-N 3.37Å; A90-V93 PolarHBondContact O-N 2.9Å; A90-A94 WeakPolarHBondContact O-CB 3.45Å; A90-A94 PolarHBondContact O-N 3.49Å
91A91.6Very high91.2Very high48 Ų4858.2 Ų58.240%0.39734%0.335SS..Hα-helixtrans-63.7-37.817600000112.5P87 Q88 N89 H95P87-A91 PolarHBondContact O-N 3.25Å; P87-A91 VanDerWaalsContact O-N 3.16Å; Q88-A91 PolarHBondContact O-N 3.1Å; N89-A91 PolarHBondContact O-N 3.02Å; A91-H95 WeakPolarHBondContact O-CB 3.33Å; A91-H95 PolarHBondContact O-N 2.77Å; A91-H95 VanDerWaalsContact O-N 3.14Å
92F91.8Very high91.4Very high11 Ų1164.3 Ų64.35%0.04836%0.357CS..Hα-helixtrans-63.1-46.9174.8179.4-80.6000111.6T42 R47 V50 Y51 F54 L78 I80 Q88 N89 A90 F96 L109T42-F92 HydrophobicContact CG2-CE2 4.43Å; R47-F92 HydrophobicContact CB-CE2 4.46Å; R47-F92 HydrophobicContact CG-CD2 4.11Å; R47-F92 HydrophobicContact CG-CE2 4.31Å; V50-F92 HydrophobicContact CG1-CE2 4.23Å; V50-F92 HydrophobicContact CG1-CZ 3.83Å; Y51-F92 HydrophobicContact CD1-CE1 4.4Å; Y51-F92 HydrophobicContact CD1-CE2 4.31Å; Y51-F92 AromaticContact CD1-CZ 3.89Å; Y51-F92 HydrophobicContact CD1-CZ 3.89Å; Y51-F92 HydrophobicContact CE1-CD1 4.19Å; Y51-F92 HydrophobicContact CE1-CD2 4.12Å; Y51-F92 AromaticContact CE1-CE1 3.64Å; Y51-F92 HydrophobicContact CE1-CE1 3.64Å; Y51-F92 AromaticContact CE1-CE2 3.56Å; Y51-F92 HydrophobicContact CE1-CE2 3.56Å; Y51-F92 HydrophobicContact CE1-CG 4.42Å; Y51-F92 AromaticContact CE1-CZ 3.32Å; Y51-F92 HydrophobicContact CE1-CZ 3.32Å; Y51-F92 PolarHBondContact OH-O 3.35Å; F54-F92 HydrophobicContact CE2-CZ 4.36Å; L78-F92 HydrophobicContact CD1-CE1 3.87Å; I80-F92 HydrophobicContact CD1-CZ 4.36Å; Q88-F92 WeakPolarHBondContact O-CB 3.32Å; Q88-F92 PolarHBondContact O-N 3.46Å; N89-F92 WeakPolarHBondContact O-CB 3.38Å; N89-F92 PolarHBondContact O-N 3.42Å; A90-F92 VanDerWaalsContact C-N 3.33Å; A90-F92 PolarHBondContact O-N 3.37Å; F92-F96 WeakPolarHBondContact O-CB 3.34Å; F92-F96 PolarHBondContact O-N 2.83Å; F92-L109 HydrophobicContact CB-CD2 3.9Å; F92-L109 HydrophobicContact CD1-CD2 3.52Å; F92-L109 HydrophobicContact CE1-CD2 4.13Å; F92-L109 HydrophobicContact CG-CD2 3.79Å
93V93.7Very high91.8Very high17 Ų1765.6 Ų65.610%0.10336%0.362CS..Hα-helixtrans-64.7-47.2179.6169.50000111.1N89 A90 H95 F96 Q97 V107 L109N89-V93 WeakPolarHBondContact O-CG2 3.26Å; N89-V93 PolarHBondContact O-N 3.45Å; A90-V93 PolarHBondContact O-N 2.9Å; V93-H95 VanDerWaalsContact C-N 3.32Å; V93-H95 PolarHBondContact O-N 2.93Å; V93-F96 PolarHBondContact O-N 3.21Å; V93-Q97 HydrophobicContact CG1-CG 4.37Å; V93-Q97 WeakPolarHBondContact O-CG 3.04Å; V93-Q97 PolarHBondContact O-N 3.37Å; V93-V107 HydrophobicContact CG1-CB 3.97Å; V93-V107 HydrophobicContact CG1-CG1 4.07Å; V93-V107 WeakPolarHBondContact CG1-O 3.28Å; V93-V107 HydrophobicContact CG2-CG1 4.35Å; V93-L109 HydrophobicContact CG2-CB 3.52Å
94A94.4Very high92.1Very high55 Ų5565.9 Ų65.946%0.45536%0.364SS..Hα-helixtrans-57.9-45.4179.200000111.6A90 Q97 Q98A90-A94 WeakPolarHBondContact O-CB 3.45Å; A90-A94 PolarHBondContact O-N 3.49Å; A94-Q97 PolarHBondContact O-N 3.47Å; A94-Q98 WeakPolarHBondContact O-CB 3.46Å; A94-Q98 PolarHBondContact O-N 3.23Å
95H93.6Very high92.6Very high77 Ų7767.6 Ų67.636%0.35637%0.37SS..Hα-helixtrans-67.7-38.3178.5-174.560.4000112.7Y51 A91 V93 S99Y51-H95 AromaticContact CE2-CD2 3.55Å; Y51-H95 AromaticContact CZ-CD2 3.94Å; Y51-H95 PolarHBondContact OH-CD2 3.15Å; A91-H95 WeakPolarHBondContact O-CB 3.33Å; A91-H95 PolarHBondContact O-N 2.77Å; A91-H95 VanDerWaalsContact O-N 3.14Å; V93-H95 VanDerWaalsContact C-N 3.32Å; V93-H95 PolarHBondContact O-N 2.93Å; H95-S99 WeakPolarHBondContact O-CB 3.33Å; H95-S99 PolarHBondContact O-N 2.94Å; H95-S99 PolarHBondContact O-OG 3.39Å
96F94.3Very high93.2Very high2 Ų266.9 Ų66.91%0.00937%0.367CS..Hα-helixtrans-62.3-48.2174.7179.2-97.3000111.5Y51 L55 L76 F92 V93 S99 N100 I103 V107Y51-F96 HydrophobicContact CD1-CB 4.48Å; Y51-F96 AromaticContact CD1-CD2 3.48Å; Y51-F96 HydrophobicContact CD1-CD2 3.48Å; Y51-F96 VanDerWaalsContact CD1-CD2 3.48Å; Y51-F96 HydrophobicContact CD1-CE2 4.18Å; Y51-F96 HydrophobicContact CD1-CG 4.4Å; Y51-F96 HydrophobicContact CD2-CD2 4.31Å; Y51-F96 HydrophobicContact CE1-CB 3.81Å; Y51-F96 AromaticContact CE1-CD2 3.69Å; Y51-F96 HydrophobicContact CE1-CD2 3.69Å; Y51-F96 HydrophobicContact CE1-CG 4.19Å; Y51-F96 AromaticContact CG-CD2 3.8Å; Y51-F96 HydrophobicContact CG-CD2 3.8Å; Y51-F96 HydrophobicContact CG-CE2 4.37Å; Y51-F96 PolarHBondContact OH-N 3.41Å; L55-F96 HydrophobicContact CD2-CE2 4.49Å; L55-F96 HydrophobicContact CD2-CZ 4.38Å; L76-F96 HydrophobicContact CD2-CE1 3.71Å; L76-F96 HydrophobicContact CD2-CZ 3.94Å; F92-F96 WeakPolarHBondContact O-CB 3.34Å; F92-F96 PolarHBondContact O-N 2.83Å; V93-F96 PolarHBondContact O-N 3.21Å; F96-S99 PolarHBondContact O-N 2.81Å; F96-N100 HydrophobicContact CZ-CB 4.42Å; F96-N100 WeakPolarHBondContact O-CB 3.41Å; F96-N100 PolarHBondContact O-N 3.11Å; F96-N100 PolarHBondContact O-ND2 3.49Å; F96-I103 HydrophobicContact CE1-CG2 4.35Å; F96-I103 HydrophobicContact CZ-CG2 4.33Å; F96-V107 HydrophobicContact CD1-CG1 4.09Å; F96-V107 HydrophobicContact CD1-CG2 4.15Å; F96-V107 HydrophobicContact CE1-CG1 4.47Å; F96-V107 HydrophobicContact CE1-CG2 4.21Å
97Q94.6Very high93.6Very high72 Ų7261.7 Ų61.734%0.33634%0.339SS..Hα-helixtrans-65.8-39.2179.6-72.6-178.3-58.300112.2V93 A94 S99 N100 P101 V107V93-Q97 HydrophobicContact CG1-CG 4.37Å; V93-Q97 WeakPolarHBondContact O-CG 3.04Å; V93-Q97 PolarHBondContact O-N 3.37Å; A94-Q97 PolarHBondContact O-N 3.47Å; Q97-S99 VanDerWaalsContact C-N 3.33Å; Q97-S99 PolarHBondContact O-N 3.41Å; Q97-N100 CarbonylContact O-C 3.44Å; Q97-N100 PolarHBondContact O-N 3.03Å; Q97-P101 VanDerWaalsContact O-CA 3.31Å; Q97-P101 WeakPolarHBondContact O-CA 3.5Å; Q97-P101 VanDerWaalsContact O-N 3.16Å; Q97-V107 HydrophobicContact CG-CB 3.92Å; Q97-V107 HydrophobicContact CG-CG2 3.63Å
98Q95Very high94Very high152 Ų15259 Ų5971%0.7132%0.321SS*.Hα-helixtrans-61.3-42.6174.8-175.4-176.517.600111.6A94A94-Q98 WeakPolarHBondContact O-CB 3.46Å; A94-Q98 PolarHBondContact O-N 3.23Å
99S94Very high94.4Very high62 Ų6254.8 Ų54.843%0.43430%0.302SS..Hα-helixtrans-77.7-22.4-179.1-53.20000112.7H95 F96 Q97H95-S99 WeakPolarHBondContact O-CB 3.33Å; H95-S99 PolarHBondContact O-N 2.94Å; H95-S99 PolarHBondContact O-OG 3.39Å; F96-S99 PolarHBondContact O-N 2.81Å; Q97-S99 VanDerWaalsContact C-N 3.33Å; Q97-S99 PolarHBondContact O-N 3.41Å
100N94.5Very high94.5Very high34 Ų3454.9 Ų54.918%0.18230%0.302CS..  trans-136.156.5-172.4-53.6-82.4000113L55 F96 Q97 K102 I103L55-N100 WeakPolarHBondContact CD1-OD1 3.33Å; F96-N100 HydrophobicContact CZ-CB 4.42Å; F96-N100 WeakPolarHBondContact O-CB 3.41Å; F96-N100 PolarHBondContact O-N 3.11Å; F96-N100 PolarHBondContact O-ND2 3.49Å; Q97-N100 CarbonylContact O-C 3.44Å; Q97-N100 PolarHBondContact O-N 3.03Å; N100-K102 PolarHBondContact O-N 3.44Å; N100-I103 HydrophobicContact CB-CB 4.38Å; N100-I103 HydrophobicContact CB-CG1 3.68Å; N100-I103 PolarHBondContact O-N 3.17Å; N100-I103 VanDerWaalsContact O-N 3.17Å
101P94.5Very high94.6Very high86 Ų8652.1 Ų52.156%0.55828%0.279SS*.THydrogen-bonded Turntrans-67.1-14.4-167.826.8-36.7000115.1K72 Q97K72-P101 PolarHBondContact NZ-O 3.17Å; K72-P101 VanDerWaalsContact NZ-O 3.08Å; Q97-P101 VanDerWaalsContact O-CA 3.31Å; Q97-P101 WeakPolarHBondContact O-CA 3.5Å; Q97-P101 VanDerWaalsContact O-N 3.16Å
102K94.8Very high94.8Very high163 Ų16350.3 Ų50.371%0.70926%0.263SS*.THydrogen-bonded Turntrans-91.7-13.2-179.5-65.2-174.7177.8-176.10113.9K72 N100K72-K102 WeakPolarHBondContact CG-O 3.27Å; N100-K102 PolarHBondContact O-N 3.44Å
103I96.4Very high95Very high38 Ų3849.9 Ų49.920%0.19526%0.261CS..THydrogen-bonded Turntrans-71.5-50.2-169.9-66.7-61.6000112.9L55 L58 L73 L76 F96 N100L55-I103 HydrophobicContact CD2-CD1 3.78Å; L55-I103 HydrophobicContact CD2-CG1 3.92Å; L58-I103 HydrophobicContact CD2-CD1 4.23Å; L58-I103 HydrophobicContact CD2-CG2 3.66Å; L73-I103 WeakPolarHBondContact CB-O 3.28Å; L73-I103 HydrophobicContact CD1-CG2 4.27Å; L73-I103 WeakPolarHBondContact CG-O 3.24Å; L73-I103 PolarHBondContact N-O 2.96Å; L76-I103 HydrophobicContact CD2-CG2 4.34Å; F96-I103 HydrophobicContact CE1-CG2 4.35Å; F96-I103 HydrophobicContact CZ-CG2 4.33Å; N100-I103 HydrophobicContact CB-CB 4.38Å; N100-I103 HydrophobicContact CB-CG1 3.68Å; N100-I103 PolarHBondContact O-N 3.17Å; N100-I103 VanDerWaalsContact O-N 3.17Å
104A96.7Very high95Very high9 Ų950.8 Ų50.87%0.07427%0.265CS..EExtended strand (participates in β ladder)trans-146.3151.5-176.600000111.8L73 L76 V107L73-A104 HydrophobicContact CB-CB 3.84Å; L73-A104 HydrophobicContact CD1-CB 4.41Å; L73-A104 CarbonylContact O-C 3.6Å; L73-A104 VanDerWaalsContact O-CA 3.25Å; L73-A104 WeakPolarHBondContact O-CA 3.41Å; L76-A104 HydrophobicContact CB-CB 3.91Å; A104-V107 HydrophobicContact CB-CG2 3.93Å
105K96.3Very high95.1Very high110 Ų11048.1 Ų48.148%0.47824%0.244SC..EExtended strand (participates in β ladder)trans-72.3-44171.5-59.7173-175.6167.10110.8K72 L73 T74K72-K105 HydrophobicContact CD-CG 4.27Å; K72-K105 HydrophobicContact CG-CG 4.29Å; L73-K105 PolarHBondContact O-N 3.24Å; T74-K105 WeakPolarHBondContact O-CB 3.27Å
106H96.2Very high95.3Very high75 Ų7544.5 Ų44.535%0.34723%0.227SC..EExtended strand (participates in β ladder)trans-121.1136176.4-57.2-78.9000110.4T74 S75 L76T74-H106 PolarHBondContact O-CD2 3.3Å; T74-H106 PolarHBondContact O-N 3.14Å; S75-H106 CarbonylContact C-O 3.37Å; S75-H106 WeakPolarHBondContact CA-O 3.22Å; L76-H106 PolarHBondContact N-O 3.17Å
107V96.4Very high95.5Very high15 Ų1545 Ų459%0.09123%0.23CC..EExtended strand (participates in β ladder)trans-125.5130.1172.6-178.80000107.4L76 L78 V93 F96 Q97 A104L76-V107 HydrophobicContact CB-CG2 4.32Å; L76-V107 HydrophobicContact CD2-CG1 4.41Å; L76-V107 WeakPolarHBondContact O-CA 3.47Å; L78-V107 HydrophobicContact CD1-CG1 4.15Å; V93-V107 HydrophobicContact CG1-CB 3.97Å; V93-V107 HydrophobicContact CG1-CG1 4.07Å; V93-V107 WeakPolarHBondContact CG1-O 3.28Å; V93-V107 HydrophobicContact CG2-CG1 4.35Å; F96-V107 HydrophobicContact CD1-CG1 4.09Å; F96-V107 HydrophobicContact CD1-CG2 4.15Å; F96-V107 HydrophobicContact CE1-CG1 4.47Å; F96-V107 HydrophobicContact CE1-CG2 4.21Å; Q97-V107 HydrophobicContact CG-CB 3.92Å; Q97-V107 HydrophobicContact CG-CG2 3.63Å; A104-V107 HydrophobicContact CB-CG2 3.93Å
108V95.3Very high95.6Very high28 Ų2842.7 Ų42.717%0.1722%0.221CC..EExtended strand (participates in β ladder)trans-128.2132.1-179.8-174.90000108.1L76 L78 M110 A319 V322L76-V108 PolarHBondContact O-N 3.03Å; L78-V108 PolarHBondContact N-O 3.05Å; V108-M110 HydrophobicContact CB-CE 4.25Å; V108-M110 HydrophobicContact CG1-CE 3.88Å; V108-A319 HydrophobicContact CB-CB 4.3Å; V108-A319 HydrophobicContact CG2-CB 4.21Å; V108-V322 HydrophobicContact CG2-CB 3.81Å; V108-V322 HydrophobicContact CG2-CG1 3.85Å; V108-V322 HydrophobicContact CG2-CG2 3.88Å
109L95Very high95.7Very high18 Ų1835.4 Ų35.49%0.09419%0.188CC..EExtended strand (participates in β ladder)trans-109.9132.3172.1173.858.3000108.7L78 I80 A83 N89 F92 V93L78-L109 HydrophobicContact CB-CD1 3.88Å; L78-L109 CarbonylContact O-C 3.59Å; L78-L109 WeakPolarHBondContact O-CA 3.18Å; L78-L109 VanDerWaalsContact O-CD1 3.26Å; L78-L109 WeakPolarHBondContact O-CD1 3.44Å; I80-L109 HydrophobicContact CB-CD1 4.17Å; I80-L109 HydrophobicContact CD1-CD1 3.62Å; I80-L109 HydrophobicContact CG1-CD1 3.92Å; A83-L109 HydrophobicContact CB-CD1 3.62Å; A83-L109 HydrophobicContact CB-CD2 4.37Å; A83-L109 HydrophobicContact CB-CG 3.89Å; N89-L109 HydrophobicContact CB-CB 4.36Å; N89-L109 HydrophobicContact CB-CD2 3.8Å; N89-L109 HydrophobicContact CB-CG 4.03Å; N89-L109 WeakPolarHBondContact OD1-CD2 3.19Å; F92-L109 HydrophobicContact CB-CD2 3.9Å; F92-L109 HydrophobicContact CD1-CD2 3.52Å; F92-L109 HydrophobicContact CE1-CD2 4.13Å; F92-L109 HydrophobicContact CG-CD2 3.79Å; V93-L109 HydrophobicContact CG2-CB 3.52Å
110M94.1Very high95.9Very high18 Ų1832.5 Ų32.59%0.08917%0.167CC..EExtended strand (participates in β ladder)trans-143.4167.8-17968.6-162.677.800110.1L78 A79 I80 A83 V108 D114L78-M110 PolarHBondContact O-N 3.24Å; L78-M110 VanDerWaalsContact O-O 3.11Å; A79-M110 CarbonylContact C-O 3.58Å; A79-M110 WeakPolarHBondContact CA-O 3.47Å; A79-M110 HydrophobicContact CB-CG 3.78Å; A79-M110 HydrophobicContact CB-SD 4.31Å; I80-M110 PolarHBondContact N-O 3.35Å; A83-M110 WeakPolarHBondContact CB-O 3.29Å; V108-M110 HydrophobicContact CB-CE 4.25Å; V108-M110 HydrophobicContact CG1-CE 3.88Å; M110-D114 HydrophobicContact CB-CB 4.14Å; M110-D114 HydrophobicContact CG-CB 4.18Å; M110-D114 HydrophobicContact SD-CB 4.4Å
111S93.7Very high96Very high4 Ų431.3 Ų31.33%0.02816%0.16CC..EExtended strand (participates in β ladder)trans-65.5151.5173.274.60000111.4A83 S113 D114 G115A83-S111 PolarHBondContact O-N 3.02Å; S111-S113 PolarHBondContact O-N 3.08Å; S111-D114 PolarHBondContact O-N 3.47Å; S111-D114 VanDerWaalsContact O-N 3.08Å; S111-D114 PolarHBondContact OG-N 3.49Å; S111-D114 PolarHBondContact OG-OD2 3.35Å; S111-G115 PolarHBondContact O-N 3.15Å
112D95.3Very high95.9Very high11 Ų1132.2 Ų32.26%0.05916%0.16CC..Hα-helixtrans-51.7-37.9169.354.27.9000112I80 S81 D114 G115 A116 I129I80-D112 PolarHBondContact O-N 2.98Å; S81-D112 VanDerWaalsContact CA-OD2 3.23Å; S81-D112 WeakPolarHBondContact CA-OD2 3.31Å; S81-D112 WeakPolarHBondContact CB-OD2 3.1Å; S81-D112 PolarHBondContact OG-OD2 2.94Å; D112-D114 PolarHBondContact O-N 3.23Å; D112-G115 PolarHBondContact O-N 2.9Å; D112-A116 WeakPolarHBondContact O-CB 3.22Å; D112-A116 PolarHBondContact O-N 2.81Å; D112-I129 HydrophobicContact CB-CD1 4.3Å; D112-I129 VanDerWaalsContact CG-CD1 3.41Å; D112-I129 VanDerWaalsContact OD1-CD1 3.29Å; D112-I129 WeakPolarHBondContact OD1-CD1 3.2Å
113S96Very high95.6Very high1 Ų130.9 Ų30.91%0.00716%0.161CC..Hα-helixtrans-65.5-37.6178.5-580000112.4S111 A116 L117 I129 R137S111-S113 PolarHBondContact O-N 3.08Å; S113-A116 PolarHBondContact O-N 3.48Å; S113-L117 VanDerWaalsContact O-CB 3.22Å; S113-L117 WeakPolarHBondContact O-CB 3.06Å; S113-L117 PolarHBondContact O-N 2.85Å; S113-I129 VanDerWaalsContact OG-CD1 3.31Å; S113-I129 WeakPolarHBondContact OG-CD1 3.34Å; S113-R137 WeakPolarHBondContact OG-CG 3.25Å
114D94.9Very high95.4Very high36 Ų3629.4 Ų29.419%0.19316%0.155CC..Hα-helixtrans-68.7-39.3176.5-70.4-52.1000112.1M110 S111 D112 L117 S118 R145M110-D114 HydrophobicContact CB-CB 4.14Å; M110-D114 HydrophobicContact CG-CB 4.18Å; M110-D114 HydrophobicContact SD-CB 4.4Å; S111-D114 PolarHBondContact O-N 3.47Å; S111-D114 VanDerWaalsContact O-N 3.08Å; S111-D114 PolarHBondContact OG-N 3.49Å; S111-D114 PolarHBondContact OG-OD2 3.35Å; D112-D114 PolarHBondContact O-N 3.23Å; D114-L117 PolarHBondContact O-N 3Å; D114-S118 VanDerWaalsContact O-CB 3.27Å; D114-S118 WeakPolarHBondContact O-CB 3.39Å; D114-S118 PolarHBondContact O-N 2.83Å; D114-S118 PolarHBondContact O-OG 3.01Å; D114-R145 IonicContact OD1-CZ 3.68Å; D114-R145 IonicContact OD1-NH1 3.21Å; D114-R145 PolarHBondContact OD1-NH1 3.07Å; D114-R145 IonicContact OD1-NH2 2.68Å
115G96.5Very high95.4Very high0 Ų029 Ų290%015%0.152CC..Hα-helixtrans-61.2-47.6173.400000111.5S111 D112 S118 T119 G314S111-G115 PolarHBondContact O-N 3.15Å; D112-G115 PolarHBondContact O-N 2.9Å; G115-S118 PolarHBondContact O-N 3.12Å; G115-T119 PolarHBondContact O-N 2.9Å; G115-T119 PolarHBondContact O-OG1 3.03Å; G115-G314 WeakPolarHBondContact O-CA 3.42Å
116A98Very high95.5Very high1 Ų123.7 Ų23.71%0.00813%0.129CC..Hα-helixtrans-63.3-44.417700000112.7D112 S113 S118 T119 A120 V127 L269 I271 P311D112-A116 WeakPolarHBondContact O-CB 3.22Å; D112-A116 PolarHBondContact O-N 2.81Å; S113-A116 PolarHBondContact O-N 3.48Å; A116-S118 VanDerWaalsContact C-N 3.32Å; A116-S118 PolarHBondContact O-N 2.78Å; A116-T119 WeakPolarHBondContact O-CB 3.49Å; A116-T119 PolarHBondContact O-N 3.1Å; A116-T119 VanDerWaalsContact O-N 3.15Å; A116-A120 PolarHBondContact O-N 3.28Å; A116-V127 HydrophobicContact CB-CG1 3.93Å; A116-V127 HydrophobicContact CB-CG2 4.3Å; A116-L269 HydrophobicContact CB-CD2 4.02Å; A116-I271 HydrophobicContact CB-CD1 4.13Å; A116-I271 HydrophobicContact CB-CG1 3.97Å; A116-P311 HydrophobicContact CB-CB 4.16Å
117L97.1Very high95.6Very high11 Ų1120.2 Ų20.26%0.05811%0.113CC..Hα-helixtrans-58.6-46.6176.4-175.481.8000110.8S113 D114 T119 A120 F121 G125 V127 L139S113-L117 VanDerWaalsContact O-CB 3.22Å; S113-L117 WeakPolarHBondContact O-CB 3.06Å; S113-L117 PolarHBondContact O-N 2.85Å; D114-L117 PolarHBondContact O-N 3Å; L117-T119 PolarHBondContact O-N 3.24Å; L117-A120 PolarHBondContact O-N 3.15Å; L117-A120 VanDerWaalsContact O-N 3.1Å; L117-F121 HydrophobicContact CD1-CB 4.48Å; L117-F121 HydrophobicContact CD1-CD2 3.75Å; L117-F121 HydrophobicContact CD1-CE2 4.48Å; L117-F121 HydrophobicContact CD1-CG 4.49Å; L117-F121 PolarHBondContact O-N 2.85Å; L117-G125 VanDerWaalsContact CD1-O 3.31Å; L117-G125 WeakPolarHBondContact CD1-O 3.29Å; L117-V127 HydrophobicContact CB-CG2 3.78Å; L117-V127 HydrophobicContact CD1-CG2 4.02Å; L117-L139 HydrophobicContact CD1-CB 4.38Å; L117-L139 HydrophobicContact CD2-CB 3.49Å; L117-L139 VanDerWaalsContact CD2-CB 3.49Å; L117-L139 HydrophobicContact CD2-CD2 3.9Å; L117-L139 HydrophobicContact CD2-CG 4.34Å
118S96.3Very high95.7Very high24 Ų2419.5 Ų19.517%0.16811%0.108CC..Hα-helixtrans-66.4-22.4179.9-56.10000112.9D114 G115 A116 S318 K331D114-S118 VanDerWaalsContact O-CB 3.27Å; D114-S118 WeakPolarHBondContact O-CB 3.39Å; D114-S118 PolarHBondContact O-N 2.83Å; D114-S118 PolarHBondContact O-OG 3.01Å; G115-S118 PolarHBondContact O-N 3.12Å; A116-S118 VanDerWaalsContact C-N 3.32Å; A116-S118 PolarHBondContact O-N 2.78Å; S118-S318 WeakPolarHBondContact CB-OG 3.31Å; S118-S318 PolarHBondContact OG-OG 2.87Å; S118-K331 WeakPolarHBondContact O-CE 3.47Å
119T98.1Very high95.9Very high0 Ų018.9 Ų18.90%010%0.104CC..Hα-helixtrans-76-34.7173.5-51.80000111.7G115 A116 L117 L307 V309 P311 V313 G314 C334G115-T119 PolarHBondContact O-N 2.9Å; G115-T119 PolarHBondContact O-OG1 3.03Å; A116-T119 WeakPolarHBondContact O-CB 3.49Å; A116-T119 PolarHBondContact O-N 3.1Å; A116-T119 VanDerWaalsContact O-N 3.15Å; L117-T119 PolarHBondContact O-N 3.24Å; T119-L307 HydrophobicContact CG2-CD1 4.08Å; T119-L307 HydrophobicContact CG2-CD2 3.76Å; T119-V309 HydrophobicContact CG2-CG2 3.66Å; T119-P311 WeakPolarHBondContact OG1-CA 3.3Å; T119-P311 PolarHBondContact OG1-O 2.92Å; T119-P311 VanDerWaalsContact OG1-O 3.04Å; T119-V313 HydrophobicContact CG2-CB 4.22Å; T119-V313 HydrophobicContact CG2-CG1 4.47Å; T119-G314 WeakPolarHBondContact OG1-CA 3.07Å; T119-G314 PolarHBondContact OG1-N 3.45Å; T119-C334 HydrophobicContact CG2-CB 4.08Å; T119-C334 WeakPolarHBondContact O-CB 3.42Å
120A97.9Very high96Very high0 Ų018 Ų180%010%0.1CC..Hα-helixtrans-107.4-30.8-165.400000115.5A116 L117 L269 L307 R335A116-A120 PolarHBondContact O-N 3.28Å; L117-A120 PolarHBondContact O-N 3.15Å; L117-A120 VanDerWaalsContact O-N 3.1Å; A120-L269 HydrophobicContact CB-CD1 4.08Å; A120-L269 HydrophobicContact CB-CD2 3.69Å; A120-L269 HydrophobicContact CB-CG 4.39Å; A120-L307 HydrophobicContact CB-CD2 3.85Å; A120-R335 WeakPolarHBondContact O-CD 3.43Å; A120-R335 PolarHBondContact O-NH1 3.44Å
121F96.6Very high96.2Very high10 Ų1017.7 Ų17.74%0.04410%0.1CC..  trans-130.3137.2-166.9-57.4-76000113L117 G124 P267 L269 F305 K331L117-F121 HydrophobicContact CD1-CB 4.48Å; L117-F121 HydrophobicContact CD1-CD2 3.75Å; L117-F121 HydrophobicContact CD1-CE2 4.48Å; L117-F121 HydrophobicContact CD1-CG 4.49Å; L117-F121 PolarHBondContact O-N 2.85Å; F121-G124 WeakPolarHBondContact CB-O 3.02Å; F121-G124 WeakPolarHBondContact CD1-O 3.18Å; F121-P267 HydrophobicContact CD1-CB 4.21Å; F121-P267 HydrophobicContact CE1-CB 3.54Å; F121-P267 HydrophobicContact CE1-CG 4.34Å; F121-P267 HydrophobicContact CZ-CB 4.09Å; F121-L269 HydrophobicContact CE2-CB 3.58Å; F121-L269 HydrophobicContact CE2-CD2 4.43Å; F121-L269 HydrophobicContact CZ-CB 3.87Å; F121-F305 HydrophobicContact CE1-CD2 4.27Å; F121-F305 HydrophobicContact CE1-CE2 4.5Å; F121-F305 HydrophobicContact CZ-CD2 4.27Å; F121-K331 VanDerWaalsContact C-CD 3.49Å; F121-K331 WeakPolarHBondContact O-CD 3.44Å; F121-K331 PolarHBondContact O-NZ 3.47Å
122D91.5Very high96.3Very high104 Ų10418.2 Ų18.256%0.55610%0.104SC*.SBendtrans-91.7-43.7168.8-70.3-49.6000112.5K331D122-K331 VanDerWaalsContact OD1-CD 3.25Å; D122-K331 WeakPolarHBondContact OD1-CD 3.42Å; D122-K331 WeakPolarHBondContact OD1-CE 3.43Å; D122-K331 IonicContact OD1-NZ 2.73Å; D122-K331 PolarHBondContact OD1-NZ 2.92Å
123N88.7Confident96.3Very high135 Ų13518.4 Ų18.472%0.72211%0.108SC*.SBendtrans-105.730.2-171.1-60.2-32.6000113P141N123-P141 WeakPolarHBondContact O-CA 3.39Å
124G92.6Very high96.4Very high7 Ų718.5 Ų18.57%0.07211%0.108CC..  trans88.5163.7-177.500000114.6F121 L139F121-G124 WeakPolarHBondContact CB-O 3.02Å; F121-G124 WeakPolarHBondContact CD1-O 3.18Å; G124-L139 CarbonylContact C-O 3.48Å; G124-L139 WeakPolarHBondContact CA-O 3.43Å
125G97.4Very high96.5Very high0 Ų017 Ų170%010%0.101CC..EExtended strand (participates in β ladder)trans178.2166.6-17500000111.7L117 S138 L139L117-G125 VanDerWaalsContact CD1-O 3.31Å; L117-G125 WeakPolarHBondContact CD1-O 3.29Å; G125-S138 VanDerWaalsContact O-CA 3.29Å; G125-S138 WeakPolarHBondContact O-CA 3.38Å; G125-L139 PolarHBondContact N-O 3.28Å; G125-L139 PolarHBondContact O-N 2.86Å
126I98.2Very high96.6Very high0 Ų017 Ų170%010%0.101CC..EExtended strand (participates in β ladder)trans-99.9136169.6-64.5170000108.1C136 R137 V248 V251 A252 W255 L266 P267 V268 L269I126-C136 VanDerWaalsContact CG2-SG 3.56Å; I126-R137 CarbonylContact C-O 3.58Å; I126-V248 HydrophobicContact CD1-CG1 4.15Å; I126-V251 HydrophobicContact CD1-CG2 3.67Å; I126-V251 HydrophobicContact CG1-CG2 4.01Å; I126-V251 HydrophobicContact CG2-CG2 4.11Å; I126-A252 HydrophobicContact CD1-CB 4.42Å; I126-W255 HydrophobicContact CG1-CH2 4.13Å; I126-W255 HydrophobicContact CG1-CZ2 3.88Å; I126-L266 HydrophobicContact CD1-CD1 3.74Å; I126-L266 HydrophobicContact CD1-CD2 3.75Å; I126-L266 HydrophobicContact CD1-CG 3.87Å; I126-P267 PolarHBondContact N-O 2.93Å; I126-V268 HydrophobicContact CB-CB 4.5Å; I126-V268 HydrophobicContact CB-CG1 4.4Å; I126-V268 HydrophobicContact CB-CG2 4.17Å; I126-V268 HydrophobicContact CD1-CG2 4.25Å; I126-V268 HydrophobicContact CG2-CG1 4.15Å; I126-V268 CarbonylContact O-C 3.53Å; I126-V268 WeakPolarHBondContact O-CA 3.49Å; I126-L269 PolarHBondContact O-N 3.46Å
127V98.5Very high96.5Very high1 Ų119.4 Ų19.41%0.00611%0.11CC..EExtended strand (participates in β ladder)trans-108.9118167.1-179.20000108A116 L117 I129 C136 R137 L269 I271A116-V127 HydrophobicContact CB-CG1 3.93Å; A116-V127 HydrophobicContact CB-CG2 4.3Å; L117-V127 HydrophobicContact CB-CG2 3.78Å; L117-V127 HydrophobicContact CD1-CG2 4.02Å; V127-I129 HydrophobicContact CG1-CG1 4Å; V127-C136 WeakPolarHBondContact O-CA 3.42Å; V127-R137 PolarHBondContact N-O 3.46Å; V127-R137 PolarHBondContact O-N 3.01Å; V127-L269 HydrophobicContact CG2-CB 4.46Å; V127-L269 HydrophobicContact CG2-CD2 4.28Å; V127-I271 HydrophobicContact CG1-CG1 3.9Å
128L98.7Very high96.5Very high0 Ų019.1 Ų19.10%011%0.109CC..EExtended strand (participates in β ladder)trans-112.6104.6179.1-173.468.9000109.4C136 L244 H247 V248 V268 L269 L270 I271 W275 F285L128-C136 HydrophobicContact CD1-CB 3.76Å; L128-L244 HydrophobicContact CD1-CD2 4.47Å; L128-L244 HydrophobicContact CD2-CB 4.31Å; L128-H247 HydrophobicContact CD1-CB 3.85Å; L128-V248 HydrophobicContact CD1-CG2 4.18Å; L128-V248 HydrophobicContact CD2-CG2 3.58Å; L128-V248 HydrophobicContact CG-CG2 4.35Å; L128-V268 HydrophobicContact CB-CG1 3.92Å; L128-V268 HydrophobicContact CD2-CG1 4.43Å; L128-L269 PolarHBondContact N-O 2.96Å; L128-L270 HydrophobicContact CB-CD2 4.46Å; L128-L270 HydrophobicContact CD2-CD2 4.19Å; L128-I271 PolarHBondContact O-N 2.73Å; L128-W275 HydrophobicContact CB-CZ2 4.41Å; L128-W275 HydrophobicContact CD2-CH2 3.39Å; L128-W275 HydrophobicContact CD2-CZ2 3.38Å; L128-W275 HydrophobicContact CG-CH2 4.17Å; L128-W275 HydrophobicContact CG-CZ2 3.64Å; L128-W275 PolarHBondContact O-NE1 3.13Å; L128-F285 HydrophobicContact CD2-CE2 3.93Å; L128-F285 HydrophobicContact CD2-CZ 4.26Å
129I98.2Very high96.5Very high16 Ų1619.7 Ų19.78%0.08211%0.11CC..EExtended strand (participates in β ladder)trans-89.7125.8-179.6-58.2-175.2000109.1D112 S113 V127 S134 S135 I271D112-I129 HydrophobicContact CB-CD1 4.3Å; D112-I129 VanDerWaalsContact CG-CD1 3.41Å; D112-I129 VanDerWaalsContact OD1-CD1 3.29Å; D112-I129 WeakPolarHBondContact OD1-CD1 3.2Å; S113-I129 VanDerWaalsContact OG-CD1 3.31Å; S113-I129 WeakPolarHBondContact OG-CD1 3.34Å; V127-I129 HydrophobicContact CG1-CG1 4Å; I129-S134 WeakPolarHBondContact O-CA 3.42Å; I129-S134 WeakPolarHBondContact O-CB 3.49Å; I129-S135 PolarHBondContact N-O 2.75Å; I129-S135 PolarHBondContact O-N 2.7Å; I129-S135 VanDerWaalsContact O-N 3.13Å; I129-I271 CarbonylContact C-O 3.54Å; I129-I271 VanDerWaalsContact CA-O 3.31Å; I129-I271 WeakPolarHBondContact CA-O 3.45Å; I129-I271 HydrophobicContact CG1-CB 4.04Å; I129-I271 HydrophobicContact CG1-CG2 4.17Å
130A98.3Very high96.3Very high0 Ų019.8 Ų19.80%011%0.11CC..EExtended strand (participates in β ladder)trans-13892.2167.300000109.3L244 I271 G272 S273 V274 W275A130-L244 HydrophobicContact CB-CD1 3.76Å; A130-L244 HydrophobicContact CB-CD2 3.93Å; A130-I271 PolarHBondContact N-O 2.89Å; A130-G272 CarbonylContact O-C 3.58Å; A130-G272 WeakPolarHBondContact O-CA 3.02Å; A130-S273 PolarHBondContact O-N 3.2Å; A130-V274 HydrophobicContact CB-CB 3.89Å; A130-V274 HydrophobicContact CB-CG1 4.44Å; A130-V274 HydrophobicContact CB-CG2 4.28Å; A130-V274 VanDerWaalsContact O-CB 3.27Å; A130-V274 WeakPolarHBondContact O-CB 3.42Å; A130-V274 VanDerWaalsContact O-CG2 3.3Å; A130-V274 WeakPolarHBondContact O-CG2 3.46Å; A130-V274 PolarHBondContact O-N 3.19Å; A130-V274 VanDerWaalsContact O-N 3.09Å; A130-W275 HydrophobicContact CB-CD2 4.43Å; A130-W275 HydrophobicContact CB-CZ2 3.66Å
131G97Very high96Very high10 Ų1022.7 Ų22.710%0.10313%0.13CC..SBendtrans-128.5-131.1175.200000109.5G133 A161G131-G133 CarbonylContact C-O 3.59Å; G131-G133 PolarHBondContact N-O 3.32Å; G131-G133 PolarHBondContact O-N 3.36Å; G131-A161 WeakPolarHBondContact O-CB 3.26Å; G131-A161 PolarHBondContact O-N 2.89Å
132T96.2Very high95.7Very high16 Ų1625.6 Ų25.610%0.09815%0.146CC..SBendtrans-59.4-34.7172.7-55.70000112.5A17 S18 Y162 K215 A216 A219A17-T132 HydrophobicContact CB-CG2 3.87Å; S18-T132 PolarHBondContact OG-OG1 3.08Å; T132-Y162 VanDerWaalsContact O-CB 3.23Å; T132-Y162 WeakPolarHBondContact O-CB 3.31Å; T132-K215 HydrophobicContact CG2-CD 3.95Å; T132-K215 HydrophobicContact CG2-CG 3.84Å; T132-K215 VanDerWaalsContact O-CE 3.3Å; T132-K215 WeakPolarHBondContact O-CE 3.45Å; T132-A216 HydrophobicContact CG2-CB 4.41Å; T132-A219 HydrophobicContact CG2-CB 3.86Å
133G96.1Very high95.8Very high15 Ų1523 Ų2316%0.15514%0.143CC..SBendtrans-121.8-172.1166.200000110.6G131 D157 S160G131-G133 CarbonylContact C-O 3.59Å; G131-G133 PolarHBondContact N-O 3.32Å; G131-G133 PolarHBondContact O-N 3.36Å; G133-D157 VanDerWaalsContact CA-CG 3.47Å; G133-D157 WeakPolarHBondContact CA-OD1 3.23Å; G133-S160 WeakPolarHBondContact O-CB 3.36Å
134S97.6Very high96.1Very high2 Ų220.1 Ų20.11%0.01413%0.128CC..EExtended strand (participates in β ladder)trans-141.1146.4173.963.80000112.2I129 G150 D157 D158I129-S134 WeakPolarHBondContact O-CA 3.42Å; I129-S134 WeakPolarHBondContact O-CB 3.49Å; S134-G150 VanDerWaalsContact O-CA 3.26Å; S134-G150 WeakPolarHBondContact O-CA 3.27Å; S134-G150 PolarHBondContact O-N 3.28Å; S134-D157 PolarHBondContact N-OD1 3.38Å; S134-D157 WeakPolarHBondContact OG-CA 3.3Å; S134-D157 PolarHBondContact OG-O 3.46Å; S134-D158 WeakPolarHBondContact CB-O 3.24Å; S134-D158 PolarHBondContact OG-N 2.82Å; S134-D158 PolarHBondContact OG-O 2.93Å
135S96.8Very high96.1Very high6 Ų627 Ų274%0.04215%0.152CC..EExtended strand (participates in β ladder)trans-155156.9176.865.80000109.6I129I129-S135 PolarHBondContact N-O 2.75Å; I129-S135 PolarHBondContact O-N 2.7Å; I129-S135 VanDerWaalsContact O-N 3.13Å
136C97.9Very high96Very high0 Ų030.3 Ų30.30%016%0.164CC..EExtended strand (participates in β ladder)trans-132.3124.8174.2-173.20000108.7I126 V127 L128 G147 C148 H247 V251I126-C136 VanDerWaalsContact CG2-SG 3.56Å; V127-C136 WeakPolarHBondContact O-CA 3.42Å; L128-C136 HydrophobicContact CD1-CB 3.76Å; C136-G147 CarbonylContact O-C 3.55Å; C136-G147 WeakPolarHBondContact O-CA 3.29Å; C136-C148 PolarHBondContact N-O 3.22Å; C136-C148 PolarHBondContact O-N 3.47Å; C136-C148 VanDerWaalsContact O-O 3.06Å; C136-H247 HydrophobicContact CB-CB 3.71Å; C136-V251 HydrophobicContact CB-CG1 4.49Å; C136-V251 VanDerWaalsContact SG-CG2 3.54Å
137R96.8Very high95.9Very high50 Ų5032.5 Ų32.519%0.18919%0.187CC..EExtended strand (participates in β ladder)trans-133155.4176.8-58.8-65.8178.6-95.10.6108.7E84 S113 I126 V127 Y146 C148 G149E84-R137 IonicContact OE1-NH2 3.65Å; S113-R137 WeakPolarHBondContact OG-CG 3.25Å; I126-R137 CarbonylContact C-O 3.58Å; V127-R137 PolarHBondContact N-O 3.46Å; V127-R137 PolarHBondContact O-N 3.01Å; R137-Y146 CarbonylContact C-O 3.6Å; R137-Y146 WeakPolarHBondContact CA-O 3.33Å; R137-C148 PolarHBondContact NH1-O 2.9Å; R137-G149 PolarHBondContact NH1-O 3.1Å; R137-G149 PolarHBondContact NH2-O 3.24Å
138S97Very high95.7Very high5 Ų534 Ų344%0.03520%0.197CC..EExtended strand (participates in β ladder)trans-152.4149.2-172.674.70000111.2G125 R145 Y146 W255G125-S138 VanDerWaalsContact O-CA 3.29Å; G125-S138 WeakPolarHBondContact O-CA 3.38Å; S138-R145 WeakPolarHBondContact O-CA 3.41Å; S138-Y146 PolarHBondContact N-O 3.47Å; S138-Y146 PolarHBondContact O-N 3.05Å; S138-Y146 VanDerWaalsContact O-N 3.13Å; S138-Y146 WeakPolarHBondContact OG-CB 3.3Å; S138-Y146 PolarHBondContact OG-O 3.35Å; S138-W255 PolarHBondContact OG-NE1 3.47Å
139L96.3Very high95.5Very high36 Ų3634.6 Ų34.619%0.18820%0.203CC..EExtended strand (participates in β ladder)trans-123.2115.4165.7177.268.3000106.8L117 G124 G125 G143 N144 R145 W255L117-L139 HydrophobicContact CD1-CB 4.38Å; L117-L139 HydrophobicContact CD2-CB 3.49Å; L117-L139 VanDerWaalsContact CD2-CB 3.49Å; L117-L139 HydrophobicContact CD2-CD2 3.9Å; L117-L139 HydrophobicContact CD2-CG 4.34Å; G124-L139 CarbonylContact C-O 3.48Å; G124-L139 WeakPolarHBondContact CA-O 3.43Å; G125-L139 PolarHBondContact N-O 3.28Å; G125-L139 PolarHBondContact O-N 2.86Å; L139-G143 WeakPolarHBondContact CD1-O 3.42Å; L139-N144 CarbonylContact C-O 3.49Å; L139-N144 WeakPolarHBondContact CA-O 3.34Å; L139-R145 HydrophobicContact CD1-CG 3.86Å; L139-W255 VanDerWaalsContact O-CH2 3.27Å; L139-W255 WeakPolarHBondContact O-CH2 3.47Å; L139-W255 WeakPolarHBondContact O-CZ2 3.47Å
140S94.5Very high95.2Very high2 Ų235.2 Ų35.21%0.01421%0.214CC..  trans-76.8160.4177.143.20000111.6D142 G143 N144S140-D142 VanDerWaalsContact CB-OD1 3.24Å; S140-D142 WeakPolarHBondContact CB-OD1 3.19Å; S140-D142 PolarHBondContact O-N 3.27Å; S140-D142 VanDerWaalsContact O-N 3.09Å; S140-D142 PolarHBondContact OG-OD1 3.3Å; S140-G143 PolarHBondContact O-N 2.97Å; S140-N144 PolarHBondContact N-O 3.39Å; S140-N144 WeakPolarHBondContact OG-CB 3.24Å; S140-N144 PolarHBondContact OG-N 3.05Å; S140-N144 PolarHBondContact OG-O 3.28Å
141P91.9Very high94.9Very high62 Ų6244.6 Ų44.640%0.40325%0.249SC..THydrogen-bonded Turntrans-57.4-22.4177.6-27.534.9000115.1N123 G143 F260N123-P141 WeakPolarHBondContact O-CA 3.39Å; P141-G143 VanDerWaalsContact C-N 3.28Å; P141-F260 HydrophobicContact CB-CE1 4Å; P141-F260 HydrophobicContact CB-CZ 4.23Å; P141-F260 HydrophobicContact CG-CE1 3.93Å; P141-F260 HydrophobicContact CG-CE2 4.48Å; P141-F260 HydrophobicContact CG-CZ 3.85Å
142D90.3Very high94.7Very high71 Ų7145.1 Ų45.138%0.3826%0.255SS..THydrogen-bonded Turntrans-85.24.417560.413.1000113.6S140 N144 K259S140-D142 VanDerWaalsContact CB-OD1 3.24Å; S140-D142 WeakPolarHBondContact CB-OD1 3.19Å; S140-D142 PolarHBondContact O-N 3.27Å; S140-D142 VanDerWaalsContact O-N 3.09Å; S140-D142 PolarHBondContact OG-OD1 3.3Å; D142-N144 PolarHBondContact OD1-N 3.27Å; D142-N144 PolarHBondContact OD1-ND2 3.03Å; D142-N144 PolarHBondContact OD2-ND2 3.43Å; D142-N144 VanDerWaalsContact OD2-ND2 3.14Å; D142-K259 IonicContact OD2-NZ 2.95Å; D142-K259 PolarHBondContact OD2-NZ 3.25Å
143G92Very high94.5Very high49 Ų4947 Ų4751%0.50526%0.262SS..SBendtrans86.61177.100000115.2L139 S140 P141L139-G143 WeakPolarHBondContact CD1-O 3.42Å; S140-G143 PolarHBondContact O-N 2.97Å; P141-G143 VanDerWaalsContact C-N 3.28Å
144N95Very high94.4Very high74 Ų7453.2 Ų53.240%0.39629%0.291SS..  trans-77144.7178.3-63-59.2000112.2L139 S140 D142 Y146L139-N144 CarbonylContact C-O 3.49Å; L139-N144 WeakPolarHBondContact CA-O 3.34Å; S140-N144 PolarHBondContact N-O 3.39Å; S140-N144 WeakPolarHBondContact OG-CB 3.24Å; S140-N144 PolarHBondContact OG-N 3.05Å; S140-N144 PolarHBondContact OG-O 3.28Å; D142-N144 PolarHBondContact OD1-N 3.27Å; D142-N144 PolarHBondContact OD1-ND2 3.03Å; D142-N144 PolarHBondContact OD2-ND2 3.43Å; D142-N144 VanDerWaalsContact OD2-ND2 3.14Å; N144-Y146 HydrophobicContact CB-CE2 3.62Å
145R94.6Very high94.3Very high152 Ų15259.4 Ų59.457%0.57432%0.323SS*.EExtended strand (participates in β ladder)trans-108130.5178.1-69.3176.4172.9-85.77.1110.5D114 S138 L139D114-R145 IonicContact OD1-CZ 3.68Å; D114-R145 IonicContact OD1-NH1 3.21Å; D114-R145 PolarHBondContact OD1-NH1 3.07Å; D114-R145 IonicContact OD1-NH2 2.68Å; S138-R145 WeakPolarHBondContact O-CA 3.41Å; L139-R145 HydrophobicContact CD1-CG 3.86Å
146Y95.2Very high94.2Very high69 Ų6959.7 Ų59.727%0.27133%0.327SS..EExtended strand (participates in β ladder)trans-133.2151.7174.4-51.4-80000110.9R137 S138 N144 R254 W255R137-Y146 CarbonylContact C-O 3.6Å; R137-Y146 WeakPolarHBondContact CA-O 3.33Å; S138-Y146 PolarHBondContact N-O 3.47Å; S138-Y146 PolarHBondContact O-N 3.05Å; S138-Y146 VanDerWaalsContact O-N 3.13Å; S138-Y146 WeakPolarHBondContact OG-CB 3.3Å; S138-Y146 PolarHBondContact OG-O 3.35Å; N144-Y146 HydrophobicContact CB-CE2 3.62Å; Y146-R254 HydrophobicContact CD1-CB 3.54Å; Y146-R254 HydrophobicContact CD1-CG 3.98Å; Y146-R254 HydrophobicContact CD2-CB 4Å; Y146-R254 HydrophobicContact CE1-CB 3.66Å; Y146-R254 HydrophobicContact CE1-CG 4.37Å; Y146-R254 HydrophobicContact CE2-CB 4.08Å; Y146-R254 HydrophobicContact CG-CB 3.7Å; Y146-R254 HydrophobicContact CG-CG 4.33Å; Y146-R254 PolarHBondContact OH-O 2.9Å; Y146-W255 AromaticContact CD2-CD1 3.39Å; Y146-W255 AromaticContact CD2-NE1 3.57Å; Y146-W255 AromaticContact CE2-CD1 3.69Å
147G94.7Very high94.1Very high46 Ų4660 Ų6047%0.47433%0.329SS..EExtended strand (participates in β ladder)trans-154.1154.4177.200000113.2C136C136-G147 CarbonylContact O-C 3.55Å; C136-G147 WeakPolarHBondContact O-CA 3.29Å
148C95.1Very high94.2Very high32 Ų3260.8 Ų60.822%0.21634%0.336CS..EExtended strand (participates in β ladder)trans-147.4160.1169.770.40000110.6C136 R137 H247 V251C136-C148 PolarHBondContact N-O 3.22Å; C136-C148 PolarHBondContact O-N 3.47Å; C136-C148 VanDerWaalsContact O-O 3.06Å; R137-C148 PolarHBondContact NH1-O 2.9Å; C148-H247 PolarHBondContact SG-O 3.48Å; C148-V251 HydrophobicContact CB-CG1 4.44Å
149G94.9Very high94.3Very high13 Ų1360.5 Ų60.513%0.13434%0.335CS..EExtended strand (participates in β ladder)trans65.6-173.9-174.700000113.4R137R137-G149 PolarHBondContact NH1-O 3.1Å; R137-G149 PolarHBondContact NH2-O 3.24Å
150G92.1Very high94.4Very high29 Ų2958.8 Ų58.830%0.29933%0.326SS..  trans8219.1-172.600000114.4S134 G152S134-G150 VanDerWaalsContact O-CA 3.26Å; S134-G150 WeakPolarHBondContact O-CA 3.27Å; S134-G150 PolarHBondContact O-N 3.28Å; G150-G152 PolarHBondContact O-N 3.43Å
151W92Very high94.6Very high197 Ų19759 Ų5975%0.74633%0.327SS*.SBendtrans-81.12178-64.1107.3000113.9I155W151-I155 HydrophobicContact CB-CD1 4.05Å; W151-I155 HydrophobicContact CB-CG1 3.93Å
152G91.5Very high94.9Very high22 Ų2257.5 Ų57.523%0.22731%0.314CS..  trans83.9171.2-177.100000113.6G150 L154 I155 G156 D157G150-G152 PolarHBondContact O-N 3.43Å; G152-L154 VanDerWaalsContact C-N 3.32Å; G152-L154 PolarHBondContact O-N 3.49Å; G152-I155 PolarHBondContact O-N 3.07Å; G152-G156 CarbonylContact O-C 3.52Å; G152-G156 VanDerWaalsContact O-CA 3.28Å; G152-G156 WeakPolarHBondContact O-CA 3.42Å; G152-G156 PolarHBondContact O-N 2.97Å; G152-D157 WeakPolarHBondContact CA-OD2 3.31Å
153H93.4Very high95.3Very high54 Ų5455.9 Ų55.925%0.2530%0.303CS..THydrogen-bonded Turntrans-72.8-16.6-162.166.3-79.4000116.2D157 Y162 F213 K215H153-D157 WeakPolarHBondContact CA-OD2 3.42Å; H153-D157 PolarHBondContact N-OD2 3.38Å; H153-Y162 HydrophobicContact CB-CD1 3.54Å; H153-Y162 HydrophobicContact CB-CD2 4.49Å; H153-Y162 HydrophobicContact CB-CE1 3.53Å; H153-Y162 HydrophobicContact CB-CE2 4.45Å; H153-Y162 HydrophobicContact CB-CG 4.05Å; H153-Y162 AromaticContact CD2-CE1 3.9Å; H153-Y162 AromaticContact CD2-CZ 3.56Å; H153-Y162 PolarHBondContact CD2-OH 3.49Å; H153-F213 AromaticContact CD2-CZ 3.93Å; H153-F213 AromaticContact CE1-CZ 3.84Å; H153-F213 AromaticContact NE2-CE1 3.94Å; H153-F213 AromaticContact NE2-CZ 3.39Å; H153-F213 WeakPolarHBondContact NE2-CZ 3.35Å; H153-K215 HydrophobicContact CB-CD 4.41Å
154L93.7Very high95.6Very high146 Ų14653.6 Ų53.676%0.76428%0.279SS*.THydrogen-bonded Turntrans-79.3-31.9178.9-67.7176.8000112.3G152G152-L154 VanDerWaalsContact C-N 3.32Å; G152-L154 PolarHBondContact O-N 3.49Å
155I94.7Very high95.8Very high133 Ų13350 Ų5068%0.68226%0.26SS*.THydrogen-bonded Turntrans-136.118-170.560.1166.4000112.8W151 G152W151-I155 HydrophobicContact CB-CD1 4.05Å; W151-I155 HydrophobicContact CB-CG1 3.93Å; G152-I155 PolarHBondContact O-N 3.07Å
156G94.9Very high96Very high12 Ų1244.3 Ų44.312%0.12425%0.245CC..  trans-178.6-143.8-174.500000111.7G152 D158G152-G156 CarbonylContact O-C 3.52Å; G152-G156 VanDerWaalsContact O-CA 3.28Å; G152-G156 WeakPolarHBondContact O-CA 3.42Å; G152-G156 PolarHBondContact O-N 2.97Å; G156-D158 PolarHBondContact O-N 3.36Å
157D96.1Very high96.1Very high6 Ų645.6 Ų45.63%0.03225%0.249CC..  trans56.631.1-169.9-69-33.5000113.4G133 S134 G152 H153 G159 S160 W163 K215G133-D157 VanDerWaalsContact CA-CG 3.47Å; G133-D157 WeakPolarHBondContact CA-OD1 3.23Å; S134-D157 PolarHBondContact N-OD1 3.38Å; S134-D157 WeakPolarHBondContact OG-CA 3.3Å; S134-D157 PolarHBondContact OG-O 3.46Å; G152-D157 WeakPolarHBondContact CA-OD2 3.31Å; H153-D157 WeakPolarHBondContact CA-OD2 3.42Å; H153-D157 PolarHBondContact N-OD2 3.38Å; D157-G159 PolarHBondContact O-N 3.33Å; D157-S160 WeakPolarHBondContact O-CB 3.35Å; D157-S160 PolarHBondContact O-N 3.42Å; D157-S160 PolarHBondContact O-OG 3.25Å; D157-W163 VanDerWaalsContact O-CB 3.28Å; D157-W163 WeakPolarHBondContact O-CB 3.08Å; D157-K215 WeakPolarHBondContact OD2-CE 3.27Å; D157-K215 IonicContact OD2-NZ 2.79Å; D157-K215 PolarHBondContact OD2-NZ 3.09Å
158D98.1Very high96.3Very high66 Ų6643.4 Ų43.435%0.35323%0.226SC..THydrogen-bonded Turntrans-57.7134.8-179.7-58.3-57.6000111.8S134 G156 S160 W163 A243S134-D158 WeakPolarHBondContact CB-O 3.24Å; S134-D158 PolarHBondContact OG-N 2.82Å; S134-D158 PolarHBondContact OG-O 2.93Å; G156-D158 PolarHBondContact O-N 3.36Å; D158-S160 PolarHBondContact O-N 3.25Å; D158-W163 PolarHBondContact OD1-NE1 2.98Å; D158-A243 HydrophobicContact CB-CB 3.86Å
159G98.5Very high96.4Very high0 Ų042.2 Ų42.20%022%0.218CC..THydrogen-bonded Turntrans71.73.1-17600000115.8D157D157-G159 PolarHBondContact O-N 3.33Å
160S98.6Very high96.6Very high0 Ų048.3 Ų48.30%024%0.237CC..SBendtrans-69.4168.5171.770.30000113.2G133 D157 D158 Y162 W163 I164G133-S160 WeakPolarHBondContact O-CB 3.36Å; D157-S160 WeakPolarHBondContact O-CB 3.35Å; D157-S160 PolarHBondContact O-N 3.42Å; D157-S160 PolarHBondContact O-OG 3.25Å; D158-S160 PolarHBondContact O-N 3.25Å; S160-Y162 VanDerWaalsContact C-N 3.28Å; S160-Y162 PolarHBondContact O-N 3.35Å; S160-Y162 PolarHBondContact OG-N 2.92Å; S160-W163 WeakPolarHBondContact O-CB 3.29Å; S160-W163 PolarHBondContact O-N 3.2Å; S160-W163 VanDerWaalsContact O-N 3.16Å; S160-W163 WeakPolarHBondContact OG-CB 3.46Å; S160-W163 PolarHBondContact OG-N 3.37Å; S160-W163 VanDerWaalsContact OG-N 3.09Å; S160-I164 WeakPolarHBondContact O-CG1 3.48Å; S160-I164 PolarHBondContact O-N 2.87Å
161A98.7Very high96.8Very high5 Ų548.4 Ų48.44%0.04123%0.229CC..Hα-helixtrans-60.9-36.917300000112.3G131 A165 A219 C222 V274G131-A161 WeakPolarHBondContact O-CB 3.26Å; G131-A161 PolarHBondContact O-N 2.89Å; A161-A165 WeakPolarHBondContact O-CB 3.47Å; A161-A165 PolarHBondContact O-N 3.44Å; A161-A219 HydrophobicContact CB-CB 3.92Å; A161-C222 HydrophobicContact CB-CB 3.7Å; A161-V274 HydrophobicContact CB-CG2 3.71Å
162Y98.2Very high97.1Very high32 Ų3239.2 Ų39.213%0.12520%0.195CC..Hα-helixtrans-63.1-47.2173.4177.4-86.2000110.7T132 H153 S160 I164 A165 A166 F213 K215 I218T132-Y162 VanDerWaalsContact O-CB 3.23Å; T132-Y162 WeakPolarHBondContact O-CB 3.31Å; H153-Y162 HydrophobicContact CB-CD1 3.54Å; H153-Y162 HydrophobicContact CB-CD2 4.49Å; H153-Y162 HydrophobicContact CB-CE1 3.53Å; H153-Y162 HydrophobicContact CB-CE2 4.45Å; H153-Y162 HydrophobicContact CB-CG 4.05Å; H153-Y162 AromaticContact CD2-CE1 3.9Å; H153-Y162 AromaticContact CD2-CZ 3.56Å; H153-Y162 PolarHBondContact CD2-OH 3.49Å; S160-Y162 VanDerWaalsContact C-N 3.28Å; S160-Y162 PolarHBondContact O-N 3.35Å; S160-Y162 PolarHBondContact OG-N 2.92Å; Y162-I164 PolarHBondContact O-N 2.89Å; Y162-A165 PolarHBondContact O-N 3.17Å; Y162-A166 HydrophobicContact CD1-CB 4.4Å; Y162-A166 HydrophobicContact CE1-CB 3.98Å; Y162-A166 WeakPolarHBondContact O-CB 3.39Å; Y162-A166 PolarHBondContact O-N 2.71Å; Y162-F213 HydrophobicContact CE2-CE2 4.02Å; Y162-F213 HydrophobicContact CE2-CZ 4.16Å; Y162-K215 HydrophobicContact CD2-CG 3.7Å; Y162-K215 HydrophobicContact CE2-CG 4.29Å; Y162-K215 HydrophobicContact CG-CG 4.24Å; Y162-I218 HydrophobicContact CD2-CB 4.08Å; Y162-I218 HydrophobicContact CD2-CG2 3.86Å; Y162-I218 HydrophobicContact CE2-CB 4.09Å; Y162-I218 HydrophobicContact CE2-CD1 3.88Å; Y162-I218 HydrophobicContact CE2-CG2 3.83Å
163W98.7Very high97.4Very high37 Ų3740.7 Ų40.714%0.1420%0.195CC..Hα-helixtrans-61.7-44.5-177.7-174.599.7000112.2D157 D158 S160 R167 D239 A240D157-W163 VanDerWaalsContact O-CB 3.28Å; D157-W163 WeakPolarHBondContact O-CB 3.08Å; D158-W163 PolarHBondContact OD1-NE1 2.98Å; S160-W163 WeakPolarHBondContact O-CB 3.29Å; S160-W163 PolarHBondContact O-N 3.2Å; S160-W163 VanDerWaalsContact O-N 3.16Å; S160-W163 WeakPolarHBondContact OG-CB 3.46Å; S160-W163 PolarHBondContact OG-N 3.37Å; S160-W163 VanDerWaalsContact OG-N 3.09Å; W163-R167 VanDerWaalsContact CE2-CD 3.47Å; W163-R167 VanDerWaalsContact CH2-NE 3.28Å; W163-R167 VanDerWaalsContact CZ2-NH1 3.28Å; W163-R167 WeakPolarHBondContact O-CB 3.37Å; W163-R167 WeakPolarHBondContact O-CG 3.41Å; W163-R167 PolarHBondContact O-N 2.85Å; W163-R167 VanDerWaalsContact O-N 3.09Å; W163-D239 HydrophobicContact CH2-CB 3.77Å; W163-D239 HydrophobicContact CZ3-CB 4.12Å; W163-A240 HydrophobicContact CE3-CB 4.34Å; W163-A240 HydrophobicContact CZ3-CB 4.05Å
164I98.9Very high97.6Very high0 Ų038.5 Ų38.50%019%0.185CC..Hα-helixtrans-61.2-48.8174.5-65.7164.9000110.3S160 Y162 R167 A168 L225 L236 F237 A240 V274S160-I164 WeakPolarHBondContact O-CG1 3.48Å; S160-I164 PolarHBondContact O-N 2.87Å; Y162-I164 PolarHBondContact O-N 2.89Å; I164-R167 PolarHBondContact O-N 2.85Å; I164-A168 WeakPolarHBondContact O-CB 3.5Å; I164-A168 PolarHBondContact O-N 3.13Å; I164-L225 HydrophobicContact CG2-CD1 4.11Å; I164-L236 HydrophobicContact CG2-CB 4.49Å; I164-F237 HydrophobicContact CD1-CD1 4Å; I164-F237 HydrophobicContact CD1-CE1 3.9Å; I164-F237 HydrophobicContact CG2-CE2 4.36Å; I164-F237 HydrophobicContact CG2-CZ 4.31Å; I164-A240 HydrophobicContact CD1-CB 3.68Å; I164-A240 HydrophobicContact CG1-CB 3.71Å; I164-V274 HydrophobicContact CD1-CG1 3.93Å
165A98.7Very high97.7Very high0 Ų033.1 Ų33.10%016%0.157CC..Hα-helixtrans-63.4-45.9-178.400000112.7A161 Y162 R167 A168 I169 I218 F221A161-A165 WeakPolarHBondContact O-CB 3.47Å; A161-A165 PolarHBondContact O-N 3.44Å; Y162-A165 PolarHBondContact O-N 3.17Å; A165-R167 PolarHBondContact O-N 3.3Å; A165-A168 WeakPolarHBondContact O-CB 3.42Å; A165-A168 PolarHBondContact O-N 3.44Å; A165-I169 VanDerWaalsContact O-CG1 3.31Å; A165-I169 WeakPolarHBondContact O-CG1 3.36Å; A165-I169 PolarHBondContact O-N 3.24Å; A165-I218 HydrophobicContact CB-CG2 4.11Å; A165-I218 VanDerWaalsContact CB-O 3.24Å; A165-I218 WeakPolarHBondContact CB-O 3.37Å; A165-F221 HydrophobicContact CB-CB 4.02Å; A165-F221 HydrophobicContact CB-CD1 4.3Å
166A98.5Very high97.8Very high31 Ų3133.1 Ų33.126%0.25615%0.152SC..Hα-helixtrans-63.4-41.4179.200000111.6Y162 I169 R170Y162-A166 HydrophobicContact CD1-CB 4.4Å; Y162-A166 HydrophobicContact CE1-CB 3.98Å; Y162-A166 WeakPolarHBondContact O-CB 3.39Å; Y162-A166 PolarHBondContact O-N 2.71Å; A166-I169 PolarHBondContact O-N 2.88Å; A166-R170 PolarHBondContact O-N 2.85Å
167R98.3Very high97.8Very high96 Ų9637.5 Ų37.536%0.36217%0.169SC..Hα-helixtrans-65.8-37.8173.6-73.9173.869.4109.3-7.5112.3W163 I164 A165 R170 K171 L236 D239W163-R167 VanDerWaalsContact CE2-CD 3.47Å; W163-R167 VanDerWaalsContact CH2-NE 3.28Å; W163-R167 VanDerWaalsContact CZ2-NH1 3.28Å; W163-R167 WeakPolarHBondContact O-CB 3.37Å; W163-R167 WeakPolarHBondContact O-CG 3.41Å; W163-R167 PolarHBondContact O-N 2.85Å; W163-R167 VanDerWaalsContact O-N 3.09Å; I164-R167 PolarHBondContact O-N 2.85Å; A165-R167 PolarHBondContact O-N 3.3Å; R167-R170 PolarHBondContact O-N 2.87Å; R167-K171 WeakPolarHBondContact O-CB 3.43Å; R167-K171 WeakPolarHBondContact O-CG 3.35Å; R167-K171 PolarHBondContact O-N 3.21Å; R167-L236 HydrophobicContact CB-CD2 3.59Å; R167-D239 IonicContact CZ-OD2 2.9Å; R167-D239 IonicContact NH2-OD2 3.43Å; R167-D239 PolarHBondContact NH2-OD2 2.85Å
168A98.5Very high97.7Very high0 Ų045.3 Ų45.30%021%0.206CC..Hα-helixtrans-62.9-45.7174.600000111.8I164 A165 K171 V172 L189 F221 L225 L236I164-A168 WeakPolarHBondContact O-CB 3.5Å; I164-A168 PolarHBondContact O-N 3.13Å; A165-A168 WeakPolarHBondContact O-CB 3.42Å; A165-A168 PolarHBondContact O-N 3.44Å; A168-K171 PolarHBondContact O-N 2.82Å; A168-V172 PolarHBondContact O-N 2.95Å; A168-V172 VanDerWaalsContact O-N 3.11Å; A168-L189 HydrophobicContact CB-CD1 4.37Å; A168-F221 HydrophobicContact CB-CE1 4.03Å; A168-L225 HydrophobicContact CB-CD1 3.38Å; A168-L225 HydrophobicContact CB-CD2 4.18Å; A168-L225 HydrophobicContact CB-CG 4.43Å; A168-L236 HydrophobicContact CB-CD1 3.75Å
169I98.4Very high97.6Very high7 Ų749.3 Ų49.34%0.03622%0.22CC..Hα-helixtrans-58.8-49.7174.8-68.2163.7000109.7A165 A166 K171 V172 F173 M193 F197 I205 L209 I218 F221A165-I169 VanDerWaalsContact O-CG1 3.31Å; A165-I169 WeakPolarHBondContact O-CG1 3.36Å; A165-I169 PolarHBondContact O-N 3.24Å; A166-I169 PolarHBondContact O-N 2.88Å; I169-K171 VanDerWaalsContact C-N 3.29Å; I169-K171 PolarHBondContact O-N 3.39Å; I169-V172 WeakPolarHBondContact O-CB 3.35Å; I169-V172 PolarHBondContact O-N 2.93Å; I169-V172 VanDerWaalsContact O-N 3.11Å; I169-F173 HydrophobicContact CG2-CD2 4.47Å; I169-F173 HydrophobicContact CG2-CE2 3.99Å; I169-F173 VanDerWaalsContact O-CD2 3.24Å; I169-F173 WeakPolarHBondContact O-CD2 3.49Å; I169-M193 HydrophobicContact CB-SD 4.32Å; I169-M193 HydrophobicContact CG1-CG 4.38Å; I169-M193 HydrophobicContact CG1-SD 4.07Å; I169-M193 HydrophobicContact CG2-SD 4.01Å; I169-F197 HydrophobicContact CD1-CE2 4.1Å; I169-F197 HydrophobicContact CD1-CZ 4.2Å; I169-I205 HydrophobicContact CD1-CD1 4.33Å; I169-I205 HydrophobicContact CG2-CG1 4.07Å; I169-L209 HydrophobicContact CD1-CD2 4.49Å; I169-I218 HydrophobicContact CD1-CG2 4.22Å; I169-F221 HydrophobicContact CG1-CD1 4.22Å; I169-F221 HydrophobicContact CG1-CE1 4.29Å
170R97.8Very high97.4Very high142 Ų14252.4 Ų52.454%0.53624%0.235SC..Hα-helixtrans-55.6-44.2175.4-178-179.2174.8-78-2.7111.9A166 R167 V172 F173 T174 E180A166-R170 PolarHBondContact O-N 2.85Å; R167-R170 PolarHBondContact O-N 2.87Å; R170-V172 VanDerWaalsContact C-N 3.27Å; R170-V172 PolarHBondContact O-N 2.83Å; R170-F173 PolarHBondContact O-N 3.21Å; R170-F173 VanDerWaalsContact O-N 3.15Å; R170-T174 HydrophobicContact CG-CG2 4.08Å; R170-T174 PolarHBondContact O-N 3.06Å; R170-T174 PolarHBondContact O-OG1 3.04Å; R170-E180 IonicContact CZ-OE1 2.75Å; R170-E180 IonicContact NH1-OE1 3.92Å; R170-E180 PolarHBondContact NH1-OE1 3.03Å; R170-E180 IonicContact NH2-OE1 2.87Å
171K97.5Very high97Very high31 Ų3159.1 Ų59.114%0.13528%0.276CS..Hα-helixtrans-61.8-30.6179.1-82.9-161.6177.4-171.50113.6R167 A168 I169 F173 T174 L175 L189 V232 L236R167-K171 WeakPolarHBondContact O-CB 3.43Å; R167-K171 WeakPolarHBondContact O-CG 3.35Å; R167-K171 PolarHBondContact O-N 3.21Å; A168-K171 PolarHBondContact O-N 2.82Å; I169-K171 VanDerWaalsContact C-N 3.29Å; I169-K171 PolarHBondContact O-N 3.39Å; K171-F173 VanDerWaalsContact C-N 3.31Å; K171-F173 PolarHBondContact O-N 2.98Å; K171-T174 WeakPolarHBondContact CA-OG1 3.5Å; K171-T174 PolarHBondContact O-OG1 2.94Å; K171-L175 VanDerWaalsContact O-CB 3.31Å; K171-L175 WeakPolarHBondContact O-CB 3.46Å; K171-L175 WeakPolarHBondContact O-CD1 3.32Å; K171-L175 WeakPolarHBondContact O-CG 3.33Å; K171-L175 PolarHBondContact O-N 2.86Å; K171-L175 VanDerWaalsContact O-N 3.12Å; K171-L189 HydrophobicContact CB-CD2 3.88Å; K171-V232 HydrophobicContact CB-CG1 4.47Å; K171-V232 HydrophobicContact CD-CG1 3.32Å; K171-L236 HydrophobicContact CD-CD1 4.4Å; K171-L236 HydrophobicContact CD-CD2 4.15Å; K171-L236 HydrophobicContact CD-CG 4.33Å
172V97.6Very high96.6Very high4 Ų461.4 Ų61.42%0.02429%0.292CS..Hα-helixtrans-56.8-49.1173171.10000110.4A168 I169 R170 K176 L189 A190 M193A168-V172 PolarHBondContact O-N 2.95Å; A168-V172 VanDerWaalsContact O-N 3.11Å; I169-V172 WeakPolarHBondContact O-CB 3.35Å; I169-V172 PolarHBondContact O-N 2.93Å; I169-V172 VanDerWaalsContact O-N 3.11Å; R170-V172 VanDerWaalsContact C-N 3.27Å; R170-V172 PolarHBondContact O-N 2.83Å; V172-K176 WeakPolarHBondContact O-CB 3.43Å; V172-K176 PolarHBondContact O-N 2.89Å; V172-K176 VanDerWaalsContact O-N 3.16Å; V172-L189 HydrophobicContact CG2-CB 4.34Å; V172-L189 HydrophobicContact CG2-CD2 4.03Å; V172-L189 HydrophobicContact CG2-CG 3.72Å; V172-A190 HydrophobicContact CG1-CB 3.63Å; V172-A190 HydrophobicContact CG2-CB 4.38Å; V172-M193 HydrophobicContact CB-CE 4.39Å; V172-M193 HydrophobicContact CB-SD 4.26Å; V172-M193 HydrophobicContact CG1-CE 3.85Å; V172-M193 HydrophobicContact CG1-SD 4.37Å; V172-M193 HydrophobicContact CG2-CB 4.35Å; V172-M193 HydrophobicContact CG2-CE 4.46Å; V172-M193 HydrophobicContact CG2-SD 4.03Å
173F97.7Very high96.2Very high53 Ų5365.2 Ų65.223%0.23232%0.323CS..Hα-helixtrans-72.2-46.7-177.8-63.8-75.9000112.2I169 R170 K171 L175 K176 E177 M193 D202 I205I169-F173 HydrophobicContact CG2-CD2 4.47Å; I169-F173 HydrophobicContact CG2-CE2 3.99Å; I169-F173 VanDerWaalsContact O-CD2 3.24Å; I169-F173 WeakPolarHBondContact O-CD2 3.49Å; R170-F173 PolarHBondContact O-N 3.21Å; R170-F173 VanDerWaalsContact O-N 3.15Å; K171-F173 VanDerWaalsContact C-N 3.31Å; K171-F173 PolarHBondContact O-N 2.98Å; F173-L175 VanDerWaalsContact C-N 3.29Å; F173-L175 PolarHBondContact O-N 3.11Å; F173-K176 PolarHBondContact O-N 3.49Å; F173-K176 VanDerWaalsContact O-N 3.14Å; F173-E177 WeakPolarHBondContact O-CB 3.32Å; F173-E177 WeakPolarHBondContact O-CG 3.12Å; F173-E177 PolarHBondContact O-N 3.11Å; F173-M193 HydrophobicContact CE2-CE 4.49Å; F173-M193 HydrophobicContact CZ-CE 4.32Å; F173-D202 HydrophobicContact CE1-CB 3.82Å; F173-D202 HydrophobicContact CZ-CB 4.15Å; F173-I205 HydrophobicContact CE2-CG2 4.12Å; F173-I205 HydrophobicContact CZ-CG2 3.82Å
174T97.6Very high95.9Very high8 Ų864.2 Ų64.25%0.04932%0.324CS..Hα-helixtrans-63.8-33.3-177.859.40000113.2R170 K171 Q178 F179 E180R170-T174 HydrophobicContact CG-CG2 4.08Å; R170-T174 PolarHBondContact O-N 3.06Å; R170-T174 PolarHBondContact O-OG1 3.04Å; K171-T174 WeakPolarHBondContact CA-OG1 3.5Å; K171-T174 PolarHBondContact O-OG1 2.94Å; T174-Q178 PolarHBondContact O-N 3.09Å; T174-F179 HydrophobicContact CG2-CD2 4.38Å; T174-F179 PolarHBondContact O-N 2.99Å; T174-E180 PolarHBondContact O-N 3.13Å; T174-E180 PolarHBondContact OG1-OE1 2.83Å
175L96.4Very high95.4Very high32 Ų3267.8 Ų67.817%0.16834%0.343CS..Hα-helixtrans-73.4-41.4173.5-67.2173.3000112.1K171 F173 E177 Q178 E180 V232K171-L175 VanDerWaalsContact O-CB 3.31Å; K171-L175 WeakPolarHBondContact O-CB 3.46Å; K171-L175 WeakPolarHBondContact O-CD1 3.32Å; K171-L175 WeakPolarHBondContact O-CG 3.33Å; K171-L175 PolarHBondContact O-N 2.86Å; K171-L175 VanDerWaalsContact O-N 3.12Å; F173-L175 VanDerWaalsContact C-N 3.29Å; F173-L175 PolarHBondContact O-N 3.11Å; L175-E177 VanDerWaalsContact C-N 3.34Å; L175-Q178 PolarHBondContact O-N 2.94Å; L175-E180 HydrophobicContact CD2-CB 4.42Å; L175-V232 HydrophobicContact CD1-CG2 4.15Å
176K95.4Very high95.1Very high133 Ų13368.9 Ų68.958%0.57836%0.355SS*.Hα-helixtrans-63.8-40.4178.1-175.7-175.9178.8-171.10111.8V172 F173 Q178 D202V172-K176 WeakPolarHBondContact O-CB 3.43Å; V172-K176 PolarHBondContact O-N 2.89Å; V172-K176 VanDerWaalsContact O-N 3.16Å; F173-K176 PolarHBondContact O-N 3.49Å; F173-K176 VanDerWaalsContact O-N 3.14Å; K176-Q178 VanDerWaalsContact C-N 3.31Å; K176-D202 IonicContact NZ-OD2 2.64Å; K176-D202 PolarHBondContact NZ-OD2 2.97Å
177E96.4Very high94.9Very high104 Ų10475 Ų7549%0.48638%0.378SS..THydrogen-bonded Turntrans-87.21.4-178.4-64.6174.1175.100113.3F173 L175 F179F173-E177 WeakPolarHBondContact O-CB 3.32Å; F173-E177 WeakPolarHBondContact O-CG 3.12Å; F173-E177 PolarHBondContact O-N 3.11Å; L175-E177 VanDerWaalsContact C-N 3.34Å; E177-F179 HydrophobicContact CB-CD1 4.37Å; E177-F179 HydrophobicContact CB-CD2 4.36Å; E177-F179 HydrophobicContact CB-CE1 4.23Å; E177-F179 HydrophobicContact CB-CE2 4.22Å; E177-F179 HydrophobicContact CB-CG 4.44Å; E177-F179 HydrophobicContact CB-CZ 4.15Å; E177-F179 PolarHBondContact O-N 2.9Å; E177-F179 WeakPolarHBondContact OE2-CE2 3.47Å; E177-F179 WeakPolarHBondContact OE2-CZ 3.49Å
178Q94.4Very high94.9Very high170 Ų17073.2 Ų73.279%0.79438%0.375SS*.THydrogen-bonded Turntrans62.124.2177.5-50.1176.73.800114.5T174 L175 K176T174-Q178 PolarHBondContact O-N 3.09Å; L175-Q178 PolarHBondContact O-N 2.94Å; K176-Q178 VanDerWaalsContact C-N 3.31Å
179F95.7Very high94.8Very high150 Ų15073.3 Ų73.366%0.65838%0.376SS*.SBendtrans-71.2-24.3169.6-62.5-17.8000112.1T174 E177T174-F179 HydrophobicContact CG2-CD2 4.38Å; T174-F179 PolarHBondContact O-N 2.99Å; E177-F179 HydrophobicContact CB-CD1 4.37Å; E177-F179 HydrophobicContact CB-CD2 4.36Å; E177-F179 HydrophobicContact CB-CE1 4.23Å; E177-F179 HydrophobicContact CB-CE2 4.22Å; E177-F179 HydrophobicContact CB-CG 4.44Å; E177-F179 HydrophobicContact CB-CZ 4.15Å; E177-F179 PolarHBondContact O-N 2.9Å; E177-F179 WeakPolarHBondContact OE2-CE2 3.47Å; E177-F179 WeakPolarHBondContact OE2-CZ 3.49Å
180E93.3Very high94.7Very high65 Ų6573.5 Ų73.530%0.30438%0.378SS..SBendtrans-136.6152.5179.4-63.8173.6-150.300109.4R170 T174 L175R170-E180 IonicContact CZ-OE1 2.75Å; R170-E180 IonicContact NH1-OE1 3.92Å; R170-E180 PolarHBondContact NH1-OE1 3.03Å; R170-E180 IonicContact NH2-OE1 2.87Å; T174-E180 PolarHBondContact O-N 3.13Å; T174-E180 PolarHBondContact OG1-OE1 2.83Å; L175-E180 HydrophobicContact CD2-CB 4.42Å
181T90.9Very high94.7Very high141 Ų14170.5 Ų70.587%0.86537%0.37SS*.  trans-113.2153.9168.959.70000109.9
182S90.8Very high94.8Very high54 Ų5470.5 Ų70.538%0.37837%0.37SS..  trans-149.5153.4176.3-170.90000111.2G184 V232S182-G184 PolarHBondContact OG-N 3.28Å; S182-V232 WeakPolarHBondContact OG-CG2 3.38Å
183S89.6Confident94.8Very high111 Ų11170.3 Ų70.378%0.77637%0.369SS*.SBendtrans-74.9-11168.3540000113.3
184G90.7Very high94.8Very high16 Ų1670.5 Ų70.517%0.16537%0.369CS..SBendtrans-89.4174.2176.100000114S182 G186S182-G184 PolarHBondContact OG-N 3.28Å; G184-G186 PolarHBondContact O-N 3.12Å
185N90.3Very high94.8Very high76 Ų7673.7 Ų73.741%0.40639%0.385SS..  trans-93.194.5-175-173.8-18.4000111Q187 L188 L189 D230N185-Q187 PolarHBondContact O-N 3.18Å; N185-Q187 WeakPolarHBondContact OD1-CA 3.41Å; N185-Q187 WeakPolarHBondContact OD1-CB 3.35Å; N185-Q187 PolarHBondContact OD1-N 3.31Å; N185-L188 HydrophobicContact CB-CB 3.82Å; N185-L188 WeakPolarHBondContact O-CB 3.45Å; N185-L188 PolarHBondContact O-N 3.23Å; N185-L188 VanDerWaalsContact O-N 3.15Å; N185-L188 PolarHBondContact OD1-N 2.75Å; N185-L189 PolarHBondContact O-N 3.39Å; N185-L189 VanDerWaalsContact O-N 3.13Å; N185-D230 WeakPolarHBondContact CB-OD2 3.24Å; N185-D230 PolarHBondContact N-OD2 3.41Å
186G91.9Very high94.9Very high23 Ų2373.9 Ų73.924%0.23739%0.385CS..Hα-helixtrans-58.1-31.7175.900000113.9G184 L189 A190G184-G186 PolarHBondContact O-N 3.12Å; G186-L189 PolarHBondContact O-N 3.42Å; G186-A190 WeakPolarHBondContact O-CB 3.13Å; G186-A190 PolarHBondContact O-N 3.36Å
187Q94.8Very high95.1Very high160 Ų16067.6 Ų67.675%0.74836%0.358SS*.Hα-helixtrans-70.1-39.1177.1-63.8-178.6-5.600111.9N185 A190 Q191N185-Q187 PolarHBondContact O-N 3.18Å; N185-Q187 WeakPolarHBondContact OD1-CA 3.41Å; N185-Q187 WeakPolarHBondContact OD1-CB 3.35Å; N185-Q187 PolarHBondContact OD1-N 3.31Å; Q187-A190 PolarHBondContact O-N 3.45Å; Q187-Q191 WeakPolarHBondContact O-CB 3.34Å; Q187-Q191 PolarHBondContact O-N 3.48Å
188L96.6Very high95.1Very high57 Ų5769 Ų6930%0.29837%0.369SS..Hα-helixtrans-61-47.4173.3173.360000110.3N185 A190 Q191 Q192 V228 D230N185-L188 HydrophobicContact CB-CB 3.82Å; N185-L188 WeakPolarHBondContact O-CB 3.45Å; N185-L188 PolarHBondContact O-N 3.23Å; N185-L188 VanDerWaalsContact O-N 3.15Å; N185-L188 PolarHBondContact OD1-N 2.75Å; L188-A190 VanDerWaalsContact C-N 3.32Å; L188-A190 PolarHBondContact O-N 2.92Å; L188-Q191 WeakPolarHBondContact O-CB 3.27Å; L188-Q191 PolarHBondContact O-N 2.87Å; L188-Q191 VanDerWaalsContact O-N 3.16Å; L188-Q192 HydrophobicContact CD1-CG 4.17Å; L188-Q192 VanDerWaalsContact O-CG 3.3Å; L188-Q192 WeakPolarHBondContact O-CG 3.33Å; L188-Q192 PolarHBondContact O-N 3.34Å; L188-V228 HydrophobicContact CD2-CG1 3.91Å; L188-V228 HydrophobicContact CG-CG1 4.26Å; L188-D230 HydrophobicContact CD2-CB 4.42Å
189L96.8Very high95.3Very high3 Ų361.7 Ų61.72%0.01634%0.335CS..Hα-helixtrans-59.6-43.4177.7-173.363.4000112A168 K171 V172 N185 G186 Q191 Q192 M193 L225 V232 V233A168-L189 HydrophobicContact CB-CD1 4.37Å; K171-L189 HydrophobicContact CB-CD2 3.88Å; V172-L189 HydrophobicContact CG2-CB 4.34Å; V172-L189 HydrophobicContact CG2-CD2 4.03Å; V172-L189 HydrophobicContact CG2-CG 3.72Å; N185-L189 PolarHBondContact O-N 3.39Å; N185-L189 VanDerWaalsContact O-N 3.13Å; G186-L189 PolarHBondContact O-N 3.42Å; L189-Q191 VanDerWaalsContact C-N 3.33Å; L189-Q191 PolarHBondContact O-N 2.92Å; L189-Q192 PolarHBondContact O-N 3.2Å; L189-M193 PolarHBondContact O-N 3.28Å; L189-L225 HydrophobicContact CD1-CD2 3.51Å; L189-V232 HydrophobicContact CD2-CG1 3.84Å; L189-V233 HydrophobicContact CD1-CG2 4.27Å
190A97.4Very high95.4Very high10 Ų1063.2 Ų63.28%0.08334%0.341CS..Hα-helixtrans-61.3-41.6175.900000111.8V172 G186 Q187 L188 M193 R194V172-A190 HydrophobicContact CG1-CB 3.63Å; V172-A190 HydrophobicContact CG2-CB 4.38Å; G186-A190 WeakPolarHBondContact O-CB 3.13Å; G186-A190 PolarHBondContact O-N 3.36Å; Q187-A190 PolarHBondContact O-N 3.45Å; L188-A190 VanDerWaalsContact C-N 3.32Å; L188-A190 PolarHBondContact O-N 2.92Å; A190-M193 PolarHBondContact O-N 3.49Å; A190-R194 WeakPolarHBondContact O-CG 3.39Å; A190-R194 PolarHBondContact O-N 3.27Å
191Q97.6Very high95.5Very high79 Ų7962.6 Ų62.637%0.36934%0.344SS..Hα-helixtrans-64-42.3175.3-168.461.634.100111.6Q187 L188 L189 M193 R194 D195Q187-Q191 WeakPolarHBondContact O-CB 3.34Å; Q187-Q191 PolarHBondContact O-N 3.48Å; L188-Q191 WeakPolarHBondContact O-CB 3.27Å; L188-Q191 PolarHBondContact O-N 2.87Å; L188-Q191 VanDerWaalsContact O-N 3.16Å; L189-Q191 VanDerWaalsContact C-N 3.33Å; L189-Q191 PolarHBondContact O-N 2.92Å; Q191-M193 VanDerWaalsContact C-N 3.28Å; Q191-M193 PolarHBondContact O-N 3.49Å; Q191-R194 PolarHBondContact O-N 2.87Å; Q191-D195 PolarHBondContact NE2-OD1 3.43Å; Q191-D195 VanDerWaalsContact O-CG 3.27Å; Q191-D195 PolarHBondContact O-N 3.35Å
192Q98.1Very high95.8Very high31 Ų3156.6 Ų56.615%0.14531%0.307CS..Hα-helixtrans-61.5-39.3178.5-67.7-62.1-44.300111.9L188 L189 H196 F221 R224 V228L188-Q192 HydrophobicContact CD1-CG 4.17Å; L188-Q192 VanDerWaalsContact O-CG 3.3Å; L188-Q192 WeakPolarHBondContact O-CG 3.33Å; L188-Q192 PolarHBondContact O-N 3.34Å; L189-Q192 PolarHBondContact O-N 3.2Å; Q192-H196 VanDerWaalsContact O-CB 3.31Å; Q192-H196 WeakPolarHBondContact O-CB 3.19Å; Q192-H196 PolarHBondContact O-N 2.65Å; Q192-F221 HydrophobicContact CB-CE2 4.1Å; Q192-F221 HydrophobicContact CB-CZ 4.22Å; Q192-F221 WeakPolarHBondContact O-CE2 3.38Å; Q192-R224 VanDerWaalsContact CA-NH1 3.3Å; Q192-R224 PolarHBondContact O-NH1 3.15Å; Q192-V228 HydrophobicContact CG-CG2 3.76Å
193M98.4Very high96.1Very high0 Ų060.1 Ų60.10%032%0.317CS..Hα-helixtrans-63.5-51.3173.1-177.5-175.677.300111I169 V172 F173 L189 A190 Q191 D195 H196 F197 L199 I205 F221I169-M193 HydrophobicContact CB-SD 4.32Å; I169-M193 HydrophobicContact CG1-CG 4.38Å; I169-M193 HydrophobicContact CG1-SD 4.07Å; I169-M193 HydrophobicContact CG2-SD 4.01Å; V172-M193 HydrophobicContact CB-CE 4.39Å; V172-M193 HydrophobicContact CB-SD 4.26Å; V172-M193 HydrophobicContact CG1-CE 3.85Å; V172-M193 HydrophobicContact CG1-SD 4.37Å; V172-M193 HydrophobicContact CG2-CB 4.35Å; V172-M193 HydrophobicContact CG2-CE 4.46Å; V172-M193 HydrophobicContact CG2-SD 4.03Å; F173-M193 HydrophobicContact CE2-CE 4.49Å; F173-M193 HydrophobicContact CZ-CE 4.32Å; L189-M193 PolarHBondContact O-N 3.28Å; A190-M193 PolarHBondContact O-N 3.49Å; Q191-M193 VanDerWaalsContact C-N 3.28Å; Q191-M193 PolarHBondContact O-N 3.49Å; M193-D195 PolarHBondContact O-N 3.4Å; M193-H196 PolarHBondContact O-N 2.87Å; M193-F197 HydrophobicContact CG-CD2 4Å; M193-F197 HydrophobicContact CG-CE2 4.33Å; M193-F197 WeakPolarHBondContact O-CD2 3.31Å; M193-F197 PolarHBondContact O-N 2.85Å; M193-F197 VanDerWaalsContact O-N 3.11Å; M193-L199 HydrophobicContact CE-CD1 4.14Å; M193-L199 HydrophobicContact CG-CD1 4.35Å; M193-I205 HydrophobicContact CG-CD1 4.44Å; M193-I205 HydrophobicContact SD-CD1 4.47Å; M193-I205 HydrophobicContact SD-CG1 4.37Å; M193-F221 HydrophobicContact CB-CE1 4.19Å; M193-F221 HydrophobicContact CB-CZ 3.89Å
194R98.3Very high96.5Very high58 Ų5858.1 Ų58.122%0.21930%0.295CS..Hα-helixtrans-57.8-48.6-179-75.1-170.2-68.3-86-3.6112.6A190 Q191 H196 N198 L199 D202A190-R194 WeakPolarHBondContact O-CG 3.39Å; A190-R194 PolarHBondContact O-N 3.27Å; Q191-R194 PolarHBondContact O-N 2.87Å; R194-H196 PolarHBondContact O-N 2.9Å; R194-N198 CarbonylContact O-C 3.55Å; R194-N198 VanDerWaalsContact O-CA 3.23Å; R194-N198 WeakPolarHBondContact O-CA 3.45Å; R194-N198 PolarHBondContact O-N 3.31Å; R194-L199 HydrophobicContact CB-CB 4.42Å; R194-L199 HydrophobicContact CG-CB 4.18Å; R194-L199 PolarHBondContact O-N 3.29Å; R194-D202 IonicContact NH1-OD1 3.42Å; R194-D202 PolarHBondContact NH1-OD1 2.93Å
195D98.2Very high96.8Very high74 Ų7457.5 Ų57.540%0.39629%0.288SS..Hα-helixtrans-70.8-31.9-179.3-23.9-53.4000112.5Q191 M193 N198 R224Q191-D195 PolarHBondContact NE2-OD1 3.43Å; Q191-D195 VanDerWaalsContact O-CG 3.27Å; Q191-D195 PolarHBondContact O-N 3.35Å; M193-D195 PolarHBondContact O-N 3.4Å; D195-N198 PolarHBondContact O-N 3.01Å; D195-R224 VanDerWaalsContact CB-NH1 3.25Å; D195-R224 IonicContact OD2-CZ 2.66Å; D195-R224 IonicContact OD2-NH1 2.6Å; D195-R224 PolarHBondContact OD2-NH1 2.76Å; D195-R224 IonicContact OD2-NH2 2.92Å; D195-R224 PolarHBondContact OD2-NH2 2.66Å
196H98.3Very high97.2Very high37 Ų3758.3 Ų58.317%0.17129%0.292CS..Hα-helixtrans-67.7-38.9-178.8-175.981.1000112.7Q192 M193 R194 K217 S220 F221Q192-H196 VanDerWaalsContact O-CB 3.31Å; Q192-H196 WeakPolarHBondContact O-CB 3.19Å; Q192-H196 PolarHBondContact O-N 2.65Å; M193-H196 PolarHBondContact O-N 2.87Å; R194-H196 PolarHBondContact O-N 2.9Å; H196-K217 PolarHBondContact O-NZ 3.34Å; H196-S220 PolarHBondContact CE1-O 3.46Å; H196-S220 PolarHBondContact CE1-OG 2.78Å; H196-S220 VanDerWaalsContact CE1-OG 3.31Å; H196-S220 PolarHBondContact NE2-OG 2.99Å; H196-F221 HydrophobicContact CB-CD2 3.68Å; H196-F221 HydrophobicContact CB-CE2 4.04Å; H196-F221 AromaticContact CD2-CD2 3.88Å; H196-F221 AromaticContact CG-CD2 3.6Å; H196-F221 WeakPolarHBondContact NE2-CA 3.08Å; H196-F221 PolarHBondContact NE2-N 2.83Å
197F98Very high97.4Very high1 Ų159.7 Ų59.70%0.00429%0.294CS..Hα-helixtrans-98.11.4178.6-63.5-77.1000112.8I169 M193 L199 I205 Y208 K217 F221I169-F197 HydrophobicContact CD1-CE2 4.1Å; I169-F197 HydrophobicContact CD1-CZ 4.2Å; M193-F197 HydrophobicContact CG-CD2 4Å; M193-F197 HydrophobicContact CG-CE2 4.33Å; M193-F197 WeakPolarHBondContact O-CD2 3.31Å; M193-F197 PolarHBondContact O-N 2.85Å; M193-F197 VanDerWaalsContact O-N 3.11Å; F197-L199 VanDerWaalsContact C-N 3.33Å; F197-L199 HydrophobicContact CB-CD1 4.15Å; F197-L199 HydrophobicContact CB-CD2 3.62Å; F197-L199 HydrophobicContact CB-CG 3.69Å; F197-L199 PolarHBondContact O-N 2.87Å; F197-I205 HydrophobicContact CB-CD1 4.45Å; F197-I205 HydrophobicContact CD1-CD1 4.41Å; F197-I205 HydrophobicContact CD2-CD1 3.78Å; F197-I205 HydrophobicContact CE2-CD1 4.07Å; F197-I205 HydrophobicContact CG-CD1 3.98Å; F197-Y208 HydrophobicContact CB-CD2 4.17Å; F197-Y208 HydrophobicContact CB-CE2 3.92Å; F197-Y208 AromaticContact CD1-CD1 3.94Å; F197-Y208 HydrophobicContact CD1-CD1 3.94Å; F197-Y208 HydrophobicContact CD1-CD2 4.14Å; F197-Y208 HydrophobicContact CD1-CE1 4.21Å; F197-Y208 HydrophobicContact CD1-CE2 4.38Å; F197-Y208 AromaticContact CD1-CG 3.91Å; F197-Y208 HydrophobicContact CD1-CG 3.91Å; F197-Y208 HydrophobicContact CE1-CD1 4.48Å; F197-Y208 HydrophobicContact CG-CD2 4.47Å; F197-Y208 WeakPolarHBondContact O-CE2 3.38Å; F197-Y208 PolarHBondContact O-OH 3.02Å; F197-Y208 VanDerWaalsContact O-OH 3.1Å; F197-K217 HydrophobicContact CE1-CG 4.32Å; F197-F221 HydrophobicContact CE2-CB 3.96Å; F197-F221 AromaticContact CE2-CD1 3.97Å; F197-F221 HydrophobicContact CE2-CD1 3.97Å; F197-F221 HydrophobicContact CE2-CD2 4.46Å; F197-F221 AromaticContact CE2-CG 3.89Å; F197-F221 HydrophobicContact CE2-CG 3.89Å; F197-F221 HydrophobicContact CZ-CB 3.88Å; F197-F221 HydrophobicContact CZ-CG 4.33Å
198N97.7Very high97.5Very high134 Ų13454.9 Ų54.972%0.71727%0.269SS*.THydrogen-bonded Turntrans53.746.6-178.3-170.453.8000113R194 D195R194-N198 CarbonylContact O-C 3.55Å; R194-N198 VanDerWaalsContact O-CA 3.23Å; R194-N198 WeakPolarHBondContact O-CA 3.45Å; R194-N198 PolarHBondContact O-N 3.31Å; D195-N198 PolarHBondContact O-N 3.01Å
199L98.1Very high97.4Very high16 Ų1654.2 Ų54.28%0.08427%0.266CS..  trans-87.2136.9-176.4-47.7176.6000111.5M193 R194 F197 E204 I205 Y208M193-L199 HydrophobicContact CE-CD1 4.14Å; M193-L199 HydrophobicContact CG-CD1 4.35Å; R194-L199 HydrophobicContact CB-CB 4.42Å; R194-L199 HydrophobicContact CG-CB 4.18Å; R194-L199 PolarHBondContact O-N 3.29Å; F197-L199 VanDerWaalsContact C-N 3.33Å; F197-L199 HydrophobicContact CB-CD1 4.15Å; F197-L199 HydrophobicContact CB-CD2 3.62Å; F197-L199 HydrophobicContact CB-CG 3.69Å; F197-L199 PolarHBondContact O-N 2.87Å; L199-E204 WeakPolarHBondContact CA-OE2 3.3Å; L199-E204 HydrophobicContact CB-CB 4.45Å; L199-E204 HydrophobicContact CD2-CB 3.84Å; L199-I205 HydrophobicContact CD1-CB 3.99Å; L199-I205 HydrophobicContact CD1-CD1 4.08Å; L199-Y208 HydrophobicContact CD2-CD2 4Å; L199-Y208 HydrophobicContact CD2-CE2 3.73Å
200K97.4Very high97.3Very high181 Ų18162.5 Ų62.579%0.78730%0.298SS*.SBendtrans-88.4-31.6172.3-61.1173-174.4166.30112.3E204K200-E204 PolarHBondContact N-OE2 3.02Å
201C96.8Very high97.1Very high53 Ų5369.7 Ų69.736%0.35833%0.33SS..SBendtrans-142.7165.8173.668.20000110.1E203 E204C201-E203 VanDerWaalsContact C-N 3.27Å; C201-E203 VanDerWaalsContact CB-OE2 3.3Å; C201-E203 WeakPolarHBondContact CB-OE2 3.32Å; C201-E203 PolarHBondContact O-N 3.48Å; C201-E203 PolarHBondContact SG-OE2 3.22Å; C201-E204 PolarHBondContact O-N 3.38Å
202D96Very high96.8Very high15 Ų1570.3 Ų70.38%0.0834%0.336CS..G310 helixtrans-69.5-27.9-171.8-64.4-27000111.9F173 K176 R194 E204 I205F173-D202 HydrophobicContact CE1-CB 3.82Å; F173-D202 HydrophobicContact CZ-CB 4.15Å; K176-D202 IonicContact NZ-OD2 2.64Å; K176-D202 PolarHBondContact NZ-OD2 2.97Å; R194-D202 IonicContact NH1-OD1 3.42Å; R194-D202 PolarHBondContact NH1-OD1 2.93Å; D202-E204 VanDerWaalsContact C-N 3.27Å; D202-E204 PolarHBondContact O-N 3.26Å; D202-I205 WeakPolarHBondContact O-CB 3.43Å; D202-I205 WeakPolarHBondContact O-CG2 3.39Å; D202-I205 PolarHBondContact O-N 2.6Å
203E96.8Very high96.6Very high127 Ų12772.4 Ų72.459%0.59335%0.345SS*.G310 helixtrans-63.9-29.4-179.9-61.975.4-167.800112.8C201 I205 L206C201-E203 VanDerWaalsContact C-N 3.27Å; C201-E203 VanDerWaalsContact CB-OE2 3.3Å; C201-E203 WeakPolarHBondContact CB-OE2 3.32Å; C201-E203 PolarHBondContact O-N 3.48Å; C201-E203 PolarHBondContact SG-OE2 3.22Å; E203-I205 PolarHBondContact O-N 3.44Å; E203-I205 VanDerWaalsContact O-N 3.11Å; E203-L206 WeakPolarHBondContact O-CB 3.28Å; E203-L206 WeakPolarHBondContact O-CG 3.3Å; E203-L206 PolarHBondContact O-N 2.92Å
204E98.2Very high96.2Very high70 Ų7078.5 Ų78.533%0.32737%0.373SS..G310 helixtrans-63.3-16.4177.9-72.5-178.8168.700112.5L199 K200 C201 D202 L206 D207L199-E204 WeakPolarHBondContact CA-OE2 3.3Å; L199-E204 HydrophobicContact CB-CB 4.45Å; L199-E204 HydrophobicContact CD2-CB 3.84Å; K200-E204 PolarHBondContact N-OE2 3.02Å; C201-E204 PolarHBondContact O-N 3.38Å; D202-E204 VanDerWaalsContact C-N 3.27Å; D202-E204 PolarHBondContact O-N 3.26Å; E204-L206 PolarHBondContact O-N 3.35Å; E204-D207 WeakPolarHBondContact O-CB 3.25Å; E204-D207 PolarHBondContact O-N 3.29Å
205I98.1Very high96Very high2 Ų277.9 Ų77.91%0.0137%0.372CS..Hα-helixtrans-62.3-27.8172.7-163.358000112I169 F173 M193 F197 L199 D202 E203 D207 Y208 L209I169-I205 HydrophobicContact CD1-CD1 4.33Å; I169-I205 HydrophobicContact CG2-CG1 4.07Å; F173-I205 HydrophobicContact CE2-CG2 4.12Å; F173-I205 HydrophobicContact CZ-CG2 3.82Å; M193-I205 HydrophobicContact CG-CD1 4.44Å; M193-I205 HydrophobicContact SD-CD1 4.47Å; M193-I205 HydrophobicContact SD-CG1 4.37Å; F197-I205 HydrophobicContact CB-CD1 4.45Å; F197-I205 HydrophobicContact CD1-CD1 4.41Å; F197-I205 HydrophobicContact CD2-CD1 3.78Å; F197-I205 HydrophobicContact CE2-CD1 4.07Å; F197-I205 HydrophobicContact CG-CD1 3.98Å; L199-I205 HydrophobicContact CD1-CB 3.99Å; L199-I205 HydrophobicContact CD1-CD1 4.08Å; D202-I205 WeakPolarHBondContact O-CB 3.43Å; D202-I205 WeakPolarHBondContact O-CG2 3.39Å; D202-I205 PolarHBondContact O-N 2.6Å; E203-I205 PolarHBondContact O-N 3.44Å; E203-I205 VanDerWaalsContact O-N 3.11Å; I205-D207 PolarHBondContact O-N 3.38Å; I205-Y208 PolarHBondContact O-N 2.68Å; I205-Y208 VanDerWaalsContact O-N 3.14Å; I205-L209 HydrophobicContact CG1-CD1 4.11Å; I205-L209 HydrophobicContact CG1-CG 4.26Å; I205-L209 HydrophobicContact CG2-CD1 4.29Å; I205-L209 WeakPolarHBondContact O-CG 3.11Å; I205-L209 PolarHBondContact O-N 3.27Å
206L97.4Very high95.7Very high93 Ų9376.1 Ų76.149%0.48737%0.368SS..Hα-helixtrans-63.9-30.7-177.8-62.5177.7000111.9E203 E204 Y208 L209 Y210E203-L206 WeakPolarHBondContact O-CB 3.28Å; E203-L206 WeakPolarHBondContact O-CG 3.3Å; E203-L206 PolarHBondContact O-N 2.92Å; E204-L206 PolarHBondContact O-N 3.35Å; L206-Y208 VanDerWaalsContact C-N 3.35Å; L206-Y208 PolarHBondContact O-N 3.35Å; L206-L209 PolarHBondContact O-N 2.94Å; L206-Y210 HydrophobicContact CB-CD2 4.35Å; L206-Y210 HydrophobicContact CD2-CD2 4.21Å; L206-Y210 HydrophobicContact CD2-CE2 3.84Å; L206-Y210 WeakPolarHBondContact O-CD2 3.19Å; L206-Y210 PolarHBondContact O-N 2.88Å
207D96.7Very high95.5Very high52 Ų5277.6 Ų77.628%0.27837%0.374SS..Iπ-helixtrans-58.5-47.1173.3179.858.9000111.1E204 I205 L209 E211 N212E204-D207 WeakPolarHBondContact O-CB 3.25Å; E204-D207 PolarHBondContact O-N 3.29Å; I205-D207 PolarHBondContact O-N 3.38Å; D207-L209 VanDerWaalsContact C-N 3.31Å; D207-L209 PolarHBondContact O-N 2.69Å; D207-E211 PolarHBondContact O-N 2.91Å; D207-N212 PolarHBondContact O-N 2.84Å; D207-N212 PolarHBondContact OD1-ND2 3.06Å; D207-N212 PolarHBondContact OD2-ND2 3.23Å
208Y97Very high95.4Very high60 Ų6077.6 Ų77.624%0.23537%0.374CS..Iπ-helixtrans-69-26.9177.9-71.1-79.4000114F197 L199 I205 L206 F213 K217F197-Y208 HydrophobicContact CB-CD2 4.17Å; F197-Y208 HydrophobicContact CB-CE2 3.92Å; F197-Y208 AromaticContact CD1-CD1 3.94Å; F197-Y208 HydrophobicContact CD1-CD1 3.94Å; F197-Y208 HydrophobicContact CD1-CD2 4.14Å; F197-Y208 HydrophobicContact CD1-CE1 4.21Å; F197-Y208 HydrophobicContact CD1-CE2 4.38Å; F197-Y208 AromaticContact CD1-CG 3.91Å; F197-Y208 HydrophobicContact CD1-CG 3.91Å; F197-Y208 HydrophobicContact CE1-CD1 4.48Å; F197-Y208 HydrophobicContact CG-CD2 4.47Å; F197-Y208 WeakPolarHBondContact O-CE2 3.38Å; F197-Y208 PolarHBondContact O-OH 3.02Å; F197-Y208 VanDerWaalsContact O-OH 3.1Å; L199-Y208 HydrophobicContact CD2-CD2 4Å; L199-Y208 HydrophobicContact CD2-CE2 3.73Å; I205-Y208 PolarHBondContact O-N 2.68Å; I205-Y208 VanDerWaalsContact O-N 3.14Å; L206-Y208 VanDerWaalsContact C-N 3.35Å; L206-Y208 PolarHBondContact O-N 3.35Å; Y208-F213 WeakPolarHBondContact O-CA 3.35Å; Y208-K217 HydrophobicContact CD1-CG 4.06Å; Y208-K217 HydrophobicContact CE1-CG 4.22Å
209L95.3Very high95.4Very high43 Ų4371.4 Ų71.423%0.22534%0.341CS..Iπ-helixtrans-87.9-26.3-177.2-65.3177.6000113I169 I205 L206 D207 F213 I218I169-L209 HydrophobicContact CD1-CD2 4.49Å; I205-L209 HydrophobicContact CG1-CD1 4.11Å; I205-L209 HydrophobicContact CG1-CG 4.26Å; I205-L209 HydrophobicContact CG2-CD1 4.29Å; I205-L209 WeakPolarHBondContact O-CG 3.11Å; I205-L209 PolarHBondContact O-N 3.27Å; L206-L209 PolarHBondContact O-N 2.94Å; D207-L209 VanDerWaalsContact C-N 3.31Å; D207-L209 PolarHBondContact O-N 2.69Å; L209-F213 WeakPolarHBondContact O-CD2 3.28Å; L209-I218 HydrophobicContact CD2-CD1 3.83Å; L209-I218 HydrophobicContact CD2-CG1 4.39Å
210Y94.4Very high95.4Very high176 Ų17672.8 Ų72.869%0.6935%0.352SS*.Iπ-helixtrans-127.9-65.7-172.3-62.1-79.4000113.2L206L206-Y210 HydrophobicContact CB-CD2 4.35Å; L206-Y210 HydrophobicContact CD2-CD2 4.21Å; L206-Y210 HydrophobicContact CD2-CE2 3.84Å; L206-Y210 WeakPolarHBondContact O-CD2 3.19Å; L206-Y210 PolarHBondContact O-N 2.88Å
211E91.6Very high95.4Very high161 Ų16164.2 Ų64.275%0.75232%0.315SS*.Iπ-helixtrans-71.2-51.3-169.4-177.4166.4-171.500112.4D207D207-E211 PolarHBondContact O-N 2.91Å
212N93.1Very high95.5Very high93 Ų9362 Ų6250%0.49730%0.3SS..THydrogen-bonded Turntrans-106.436.9179.9-72.6-58.7000111.8D207 Q214D207-N212 PolarHBondContact O-N 2.84Å; D207-N212 PolarHBondContact OD1-ND2 3.06Å; D207-N212 PolarHBondContact OD2-ND2 3.23Å; N212-Q214 PolarHBondContact O-N 2.81Å
213F92.9Very high95.6Very high74 Ų7468.7 Ų68.733%0.32533%0.328SS..  trans-56.9121.1-174.2176.7-97000112.8H153 Y162 Y208 L209 K215 I218H153-F213 AromaticContact CD2-CZ 3.93Å; H153-F213 AromaticContact CE1-CZ 3.84Å; H153-F213 AromaticContact NE2-CE1 3.94Å; H153-F213 AromaticContact NE2-CZ 3.39Å; H153-F213 WeakPolarHBondContact NE2-CZ 3.35Å; Y162-F213 HydrophobicContact CE2-CE2 4.02Å; Y162-F213 HydrophobicContact CE2-CZ 4.16Å; Y208-F213 WeakPolarHBondContact O-CA 3.35Å; L209-F213 WeakPolarHBondContact O-CD2 3.28Å; F213-K215 HydrophobicContact CE1-CB 4.09Å; F213-K215 HydrophobicContact CZ-CB 3.95Å; F213-I218 HydrophobicContact CD2-CD1 3.56Å; F213-I218 HydrophobicContact CE2-CD1 3.35Å; F213-I218 HydrophobicContact CZ-CD1 4.41Å
214Q91Very high95.6Very high129 Ų12965.7 Ų65.760%0.60331%0.312SS*.  trans-133.2107.8168.7-66.6-177.24.100109.5N212 A216 K217 I218N212-Q214 PolarHBondContact O-N 2.81Å; Q214-A216 PolarHBondContact O-N 3.31Å; Q214-A216 VanDerWaalsContact O-N 3.11Å; Q214-K217 HydrophobicContact CB-CB 3.8Å; Q214-K217 WeakPolarHBondContact O-CA 3.5Å; Q214-K217 WeakPolarHBondContact O-CB 3.16Å; Q214-K217 PolarHBondContact O-N 3.02Å; Q214-I218 PolarHBondContact O-N 3.48Å; Q214-I218 VanDerWaalsContact O-N 3.11Å
215K92.3Very high95.7Very high45 Ų4562.3 Ų62.320%0.19630%0.296CS..Hα-helixtrans-48.4-43.7178.5-172.5-172.5176.1-179.50112.8T132 H153 D157 Y162 F213 I218 A219T132-K215 HydrophobicContact CG2-CD 3.95Å; T132-K215 HydrophobicContact CG2-CG 3.84Å; T132-K215 VanDerWaalsContact O-CE 3.3Å; T132-K215 WeakPolarHBondContact O-CE 3.45Å; H153-K215 HydrophobicContact CB-CD 4.41Å; D157-K215 WeakPolarHBondContact OD2-CE 3.27Å; D157-K215 IonicContact OD2-NZ 2.79Å; D157-K215 PolarHBondContact OD2-NZ 3.09Å; Y162-K215 HydrophobicContact CD2-CG 3.7Å; Y162-K215 HydrophobicContact CE2-CG 4.29Å; Y162-K215 HydrophobicContact CG-CG 4.24Å; F213-K215 HydrophobicContact CE1-CB 4.09Å; F213-K215 HydrophobicContact CZ-CB 3.95Å; K215-I218 PolarHBondContact O-N 2.85Å; K215-A219 VanDerWaalsContact O-CB 3.27Å; K215-A219 WeakPolarHBondContact O-CB 3.11Å; K215-A219 PolarHBondContact O-N 3.47Å
216A92.2Very high95.6Very high37 Ų3763.9 Ų63.931%0.30631%0.307SS..Hα-helixtrans-66.4-35.3178.900000113.1T132 Q214 S220T132-A216 HydrophobicContact CG2-CB 4.41Å; Q214-A216 PolarHBondContact O-N 3.31Å; Q214-A216 VanDerWaalsContact O-N 3.11Å; A216-S220 WeakPolarHBondContact O-CB 3.26Å; A216-S220 PolarHBondContact O-N 3.36Å
217K94.5Very high95.7Very high67 Ų6766.5 Ų66.529%0.29132%0.317SS..Hα-helixtrans-67.3-43.5176.117859.6-175.8174.10110.8H196 F197 Y208 Q214 S220H196-K217 PolarHBondContact O-NZ 3.34Å; F197-K217 HydrophobicContact CE1-CG 4.32Å; Y208-K217 HydrophobicContact CD1-CG 4.06Å; Y208-K217 HydrophobicContact CE1-CG 4.22Å; Q214-K217 HydrophobicContact CB-CB 3.8Å; Q214-K217 WeakPolarHBondContact O-CA 3.5Å; Q214-K217 WeakPolarHBondContact O-CB 3.16Å; Q214-K217 PolarHBondContact O-N 3.02Å; K217-S220 WeakPolarHBondContact O-CB 3.31Å; K217-S220 PolarHBondContact O-N 2.95Å; K217-S220 PolarHBondContact O-OG 3.22Å
218I97.1Very high95.7Very high1 Ų164.8 Ų64.81%0.00531%0.308CS..Hα-helixtrans-63.3-51.2175-64.4164000110.3Y162 A165 I169 L209 F213 Q214 K215 S220 F221Y162-I218 HydrophobicContact CD2-CB 4.08Å; Y162-I218 HydrophobicContact CD2-CG2 3.86Å; Y162-I218 HydrophobicContact CE2-CB 4.09Å; Y162-I218 HydrophobicContact CE2-CD1 3.88Å; Y162-I218 HydrophobicContact CE2-CG2 3.83Å; A165-I218 HydrophobicContact CB-CG2 4.11Å; A165-I218 VanDerWaalsContact CB-O 3.24Å; A165-I218 WeakPolarHBondContact CB-O 3.37Å; I169-I218 HydrophobicContact CD1-CG2 4.22Å; L209-I218 HydrophobicContact CD2-CD1 3.83Å; L209-I218 HydrophobicContact CD2-CG1 4.39Å; F213-I218 HydrophobicContact CD2-CD1 3.56Å; F213-I218 HydrophobicContact CE2-CD1 3.35Å; F213-I218 HydrophobicContact CZ-CD1 4.41Å; Q214-I218 PolarHBondContact O-N 3.48Å; Q214-I218 VanDerWaalsContact O-N 3.11Å; K215-I218 PolarHBondContact O-N 2.85Å; I218-S220 PolarHBondContact O-N 2.98Å; I218-S220 VanDerWaalsContact O-N 3.13Å; I218-F221 VanDerWaalsContact O-CB 3.31Å; I218-F221 WeakPolarHBondContact O-CB 3.38Å; I218-F221 PolarHBondContact O-N 3.46Å
219A97.3Very high95.6Very high4 Ų468.6 Ų68.63%0.03333%0.333CS..Hα-helixtrans-57.3-30.517900000113.3T132 A161 K215 F221 C222T132-A219 HydrophobicContact CG2-CB 3.86Å; A161-A219 HydrophobicContact CB-CB 3.92Å; K215-A219 VanDerWaalsContact O-CB 3.27Å; K215-A219 WeakPolarHBondContact O-CB 3.11Å; K215-A219 PolarHBondContact O-N 3.47Å; A219-F221 PolarHBondContact O-N 2.92Å; A219-F221 VanDerWaalsContact O-N 3.12Å; A219-C222 WeakPolarHBondContact O-CB 3.35Å; A219-C222 PolarHBondContact O-N 3.34Å
220S96.6Very high95.7Very high46 Ų4667 Ų6732%0.32232%0.324SS..THydrogen-bonded Turntrans-60.4-21.7178.175.50000113.7H196 A216 K217 I218 C222 K223H196-S220 PolarHBondContact CE1-O 3.46Å; H196-S220 PolarHBondContact CE1-OG 2.78Å; H196-S220 VanDerWaalsContact CE1-OG 3.31Å; H196-S220 PolarHBondContact NE2-OG 2.99Å; A216-S220 WeakPolarHBondContact O-CB 3.26Å; A216-S220 PolarHBondContact O-N 3.36Å; K217-S220 WeakPolarHBondContact O-CB 3.31Å; K217-S220 PolarHBondContact O-N 2.95Å; K217-S220 PolarHBondContact O-OG 3.22Å; I218-S220 PolarHBondContact O-N 2.98Å; I218-S220 VanDerWaalsContact O-N 3.13Å; S220-C222 PolarHBondContact O-N 3.28Å; S220-K223 PolarHBondContact O-N 2.85Å
221F98.6Very high95.8Very high0 Ų061 Ų610%031%0.307CS..Hα-helixtrans-64.4-28.2175.6-175.2-143.8000112.5A165 A168 I169 Q192 M193 H196 F197 I218 A219 K223 R224 L225A165-F221 HydrophobicContact CB-CB 4.02Å; A165-F221 HydrophobicContact CB-CD1 4.3Å; A168-F221 HydrophobicContact CB-CE1 4.03Å; I169-F221 HydrophobicContact CG1-CD1 4.22Å; I169-F221 HydrophobicContact CG1-CE1 4.29Å; Q192-F221 HydrophobicContact CB-CE2 4.1Å; Q192-F221 HydrophobicContact CB-CZ 4.22Å; Q192-F221 WeakPolarHBondContact O-CE2 3.38Å; M193-F221 HydrophobicContact CB-CE1 4.19Å; M193-F221 HydrophobicContact CB-CZ 3.89Å; H196-F221 HydrophobicContact CB-CD2 3.68Å; H196-F221 HydrophobicContact CB-CE2 4.04Å; H196-F221 AromaticContact CD2-CD2 3.88Å; H196-F221 AromaticContact CG-CD2 3.6Å; H196-F221 WeakPolarHBondContact NE2-CA 3.08Å; H196-F221 PolarHBondContact NE2-N 2.83Å; F197-F221 HydrophobicContact CE2-CB 3.96Å; F197-F221 AromaticContact CE2-CD1 3.97Å; F197-F221 HydrophobicContact CE2-CD1 3.97Å; F197-F221 HydrophobicContact CE2-CD2 4.46Å; F197-F221 AromaticContact CE2-CG 3.89Å; F197-F221 HydrophobicContact CE2-CG 3.89Å; F197-F221 HydrophobicContact CZ-CB 3.88Å; F197-F221 HydrophobicContact CZ-CG 4.33Å; I218-F221 VanDerWaalsContact O-CB 3.31Å; I218-F221 WeakPolarHBondContact O-CB 3.38Å; I218-F221 PolarHBondContact O-N 3.46Å; A219-F221 PolarHBondContact O-N 2.92Å; A219-F221 VanDerWaalsContact O-N 3.12Å; F221-K223 PolarHBondContact O-N 2.84Å; F221-R224 HydrophobicContact CD2-CB 4.04Å; F221-R224 HydrophobicContact CE2-CB 4.35Å; F221-R224 WeakPolarHBondContact O-CB 3.31Å; F221-R224 PolarHBondContact O-N 2.95Å; F221-L225 HydrophobicContact CD1-CD1 3.93Å; F221-L225 HydrophobicContact CD1-CG 4.27Å; F221-L225 HydrophobicContact CD2-CG 4.26Å; F221-L225 HydrophobicContact CE1-CD1 3.96Å; F221-L225 HydrophobicContact CE1-CD2 3.94Å; F221-L225 HydrophobicContact CE1-CG 4.08Å; F221-L225 HydrophobicContact CE2-CD2 3.98Å; F221-L225 HydrophobicContact CE2-CG 4.05Å; F221-L225 HydrophobicContact CG-CD1 4.33Å; F221-L225 HydrophobicContact CG-CG 4.35Å; F221-L225 HydrophobicContact CZ-CD1 4.35Å; F221-L225 HydrophobicContact CZ-CD2 3.58Å; F221-L225 HydrophobicContact CZ-CG 3.96Å; F221-L225 WeakPolarHBondContact O-CG 3.29Å; F221-L225 PolarHBondContact O-N 3.04Å
222C98.7Very high96Very high6 Ų653.4 Ų53.44%0.04127%0.272CS..Hα-helixtrans-55.5-37.9176-1760000112.9A161 A219 S220 R224 L225 S226A161-C222 HydrophobicContact CB-CB 3.7Å; A219-C222 WeakPolarHBondContact O-CB 3.35Å; A219-C222 PolarHBondContact O-N 3.34Å; S220-C222 PolarHBondContact O-N 3.28Å; C222-R224 VanDerWaalsContact C-N 3.31Å; C222-R224 PolarHBondContact O-N 3.42Å; C222-L225 PolarHBondContact O-N 3.23Å; C222-S226 PolarHBondContact O-N 3.11Å
223K98Very high96.2Very high156 Ų15649 Ų4968%0.67825%0.248SC*.Hα-helixtrans-63.9-40.4177.4-178.4178.8177.6-176.50110.8S220 F221 S226S220-K223 PolarHBondContact O-N 2.85Å; F221-K223 PolarHBondContact O-N 2.84Å; K223-S226 PolarHBondContact O-N 3.16Å; K223-S226 PolarHBondContact O-OG 2.83Å
224R97.7Very high96.5Very high64 Ų6449.7 Ų49.724%0.24225%0.252CS..Hα-helixtrans-65.2-45.9176.6-166.4165.9-153-125.7-4.3110.8Q192 D195 F221 C222 S226 Q227Q192-R224 VanDerWaalsContact CA-NH1 3.3Å; Q192-R224 PolarHBondContact O-NH1 3.15Å; D195-R224 VanDerWaalsContact CB-NH1 3.25Å; D195-R224 IonicContact OD2-CZ 2.66Å; D195-R224 IonicContact OD2-NH1 2.6Å; D195-R224 PolarHBondContact OD2-NH1 2.76Å; D195-R224 IonicContact OD2-NH2 2.92Å; D195-R224 PolarHBondContact OD2-NH2 2.66Å; F221-R224 HydrophobicContact CD2-CB 4.04Å; F221-R224 HydrophobicContact CE2-CB 4.35Å; F221-R224 WeakPolarHBondContact O-CB 3.31Å; F221-R224 PolarHBondContact O-N 2.95Å; C222-R224 VanDerWaalsContact C-N 3.31Å; C222-R224 PolarHBondContact O-N 3.42Å; R224-S226 VanDerWaalsContact C-N 3.28Å; R224-S226 PolarHBondContact O-N 2.9Å; R224-Q227 WeakPolarHBondContact O-CB 3.07Å; R224-Q227 PolarHBondContact O-N 2.81Å
225L98.5Very high96.8Very high0 Ų048 Ų480%025%0.245CC..Hα-helixtrans-56.7-39.8176.7-65.7170.3000112.4I164 A168 L189 F221 C222 Q227 V228 V233 F237I164-L225 HydrophobicContact CG2-CD1 4.11Å; A168-L225 HydrophobicContact CB-CD1 3.38Å; A168-L225 HydrophobicContact CB-CD2 4.18Å; A168-L225 HydrophobicContact CB-CG 4.43Å; L189-L225 HydrophobicContact CD1-CD2 3.51Å; F221-L225 HydrophobicContact CD1-CD1 3.93Å; F221-L225 HydrophobicContact CD1-CG 4.27Å; F221-L225 HydrophobicContact CD2-CG 4.26Å; F221-L225 HydrophobicContact CE1-CD1 3.96Å; F221-L225 HydrophobicContact CE1-CD2 3.94Å; F221-L225 HydrophobicContact CE1-CG 4.08Å; F221-L225 HydrophobicContact CE2-CD2 3.98Å; F221-L225 HydrophobicContact CE2-CG 4.05Å; F221-L225 HydrophobicContact CG-CD1 4.33Å; F221-L225 HydrophobicContact CG-CG 4.35Å; F221-L225 HydrophobicContact CZ-CD1 4.35Å; F221-L225 HydrophobicContact CZ-CD2 3.58Å; F221-L225 HydrophobicContact CZ-CG 3.96Å; F221-L225 WeakPolarHBondContact O-CG 3.29Å; F221-L225 PolarHBondContact O-N 3.04Å; C222-L225 PolarHBondContact O-N 3.23Å; L225-Q227 PolarHBondContact O-N 2.64Å; L225-V228 WeakPolarHBondContact O-CB 3.36Å; L225-V228 PolarHBondContact O-N 2.88Å; L225-V233 HydrophobicContact CB-CG1 4.4Å; L225-V233 HydrophobicContact CD2-CG2 4.25Å; L225-V233 WeakPolarHBondContact O-CG1 3.41Å; L225-F237 HydrophobicContact CB-CE2 4.11Å; L225-F237 HydrophobicContact CB-CZ 4.49Å
226S98.1Very high97.1Very high34 Ų3446 Ų4624%0.23824%0.235CC..THydrogen-bonded Turntrans-61.9-13.5178.970.20000115.3C222 K223 R224 S277C222-S226 PolarHBondContact O-N 3.11Å; K223-S226 PolarHBondContact O-N 3.16Å; K223-S226 PolarHBondContact O-OG 2.83Å; R224-S226 VanDerWaalsContact C-N 3.28Å; R224-S226 PolarHBondContact O-N 2.9Å; S226-S277 WeakPolarHBondContact CB-OG 3.36Å
227Q97.5Very high97.4Very high149 Ų14944.2 Ų44.270%0.69622%0.221SC*.THydrogen-bonded Turntrans-99.50179.3-60.2175.8-2900112.3R224 L225R224-Q227 WeakPolarHBondContact O-CB 3.07Å; R224-Q227 PolarHBondContact O-N 2.81Å; L225-Q227 PolarHBondContact O-N 2.64Å
228V97Very high97.6Very high16 Ų1641.9 Ų41.910%0.09722%0.215CC..  trans-99.8119.5-176.7-179.40000109L188 Q192 L225 D230 V233L188-V228 HydrophobicContact CD2-CG1 3.91Å; L188-V228 HydrophobicContact CG-CG1 4.26Å; Q192-V228 HydrophobicContact CG-CG2 3.76Å; L225-V228 WeakPolarHBondContact O-CB 3.36Å; L225-V228 PolarHBondContact O-N 2.88Å; V228-D230 HydrophobicContact CG1-CB 3.94Å; V228-D230 PolarHBondContact O-N 2.68Å; V228-V233 HydrophobicContact CB-CG2 4.18Å; V228-V233 HydrophobicContact CG1-CG2 4.05Å
229N96Very high97.6Very high140 Ų14043.7 Ų43.775%0.74922%0.224SC*.  trans-86.590.1173.3-172.224.3000110.1Q234N229-Q234 PolarHBondContact OD1-NE2 3.47Å; N229-Q234 VanDerWaalsContact OD1-NE2 3.15Å
230D96.7Very high97.7Very high8 Ų843.5 Ų43.54%0.04322%0.222CC..  trans-145.8138.9179.3-174.7-88.7000111.2N185 L188 V228 V232 V233 Q234N185-D230 WeakPolarHBondContact CB-OD2 3.24Å; N185-D230 PolarHBondContact N-OD2 3.41Å; L188-D230 HydrophobicContact CD2-CB 4.42Å; V228-D230 HydrophobicContact CG1-CB 3.94Å; V228-D230 PolarHBondContact O-N 2.68Å; D230-V232 VanDerWaalsContact C-N 3.26Å; D230-V232 PolarHBondContact O-N 3.17Å; D230-V232 WeakPolarHBondContact OD1-CA 3.44Å; D230-V232 WeakPolarHBondContact OD1-CB 3.44Å; D230-V232 PolarHBondContact OD1-N 2.81Å; D230-V233 HydrophobicContact CB-CB 4.31Å; D230-V233 HydrophobicContact CB-CG2 4.1Å; D230-V233 WeakPolarHBondContact O-CB 3.43Å; D230-V233 PolarHBondContact O-N 2.93Å; D230-Q234 WeakPolarHBondContact O-CG 3.43Å; D230-Q234 PolarHBondContact O-N 3.09Å
231P96.6Very high97.8Very high52 Ų5241.3 Ų41.334%0.33821%0.207SC..Hα-helixtrans-54.8-35.3178-28.134.8000114.7V233 Q234 Q235P231-V233 VanDerWaalsContact C-N 3.32Å; P231-V233 PolarHBondContact O-N 3.11Å; P231-Q234 PolarHBondContact O-N 3.16Å; P231-Q235 WeakPolarHBondContact O-CB 3.27Å; P231-Q235 PolarHBondContact O-N 3.39Å
232V96.4Very high97.8Very high1 Ų144.5 Ų44.51%0.00622%0.219CC..Hα-helixtrans-63.3-43.2176.6173.10000110.4K171 L175 S182 L189 D230 Q235 L236K171-V232 HydrophobicContact CB-CG1 4.47Å; K171-V232 HydrophobicContact CD-CG1 3.32Å; L175-V232 HydrophobicContact CD1-CG2 4.15Å; S182-V232 WeakPolarHBondContact OG-CG2 3.38Å; L189-V232 HydrophobicContact CD2-CG1 3.84Å; D230-V232 VanDerWaalsContact C-N 3.26Å; D230-V232 PolarHBondContact O-N 3.17Å; D230-V232 WeakPolarHBondContact OD1-CA 3.44Å; D230-V232 WeakPolarHBondContact OD1-CB 3.44Å; D230-V232 PolarHBondContact OD1-N 2.81Å; V232-Q235 PolarHBondContact O-N 3.11Å; V232-L236 HydrophobicContact CG1-CD1 4.24Å; V232-L236 VanDerWaalsContact O-CG 3.3Å; V232-L236 WeakPolarHBondContact O-CG 3.23Å; V232-L236 PolarHBondContact O-N 3.44Å; V232-L236 VanDerWaalsContact O-N 3.09Å
233V97.7Very high97.7Very high1 Ų145.1 Ų45.11%0.00622%0.224CC..Hα-helixtrans-68.3-46.5179.3173.90000110.5L189 L225 V228 D230 P231 Q235 L236 F237L189-V233 HydrophobicContact CD1-CG2 4.27Å; L225-V233 HydrophobicContact CB-CG1 4.4Å; L225-V233 HydrophobicContact CD2-CG2 4.25Å; L225-V233 WeakPolarHBondContact O-CG1 3.41Å; V228-V233 HydrophobicContact CB-CG2 4.18Å; V228-V233 HydrophobicContact CG1-CG2 4.05Å; D230-V233 HydrophobicContact CB-CB 4.31Å; D230-V233 HydrophobicContact CB-CG2 4.1Å; D230-V233 WeakPolarHBondContact O-CB 3.43Å; D230-V233 PolarHBondContact O-N 2.93Å; P231-V233 VanDerWaalsContact C-N 3.32Å; P231-V233 PolarHBondContact O-N 3.11Å; V233-Q235 VanDerWaalsContact C-N 3.27Å; V233-Q235 PolarHBondContact O-N 2.89Å; V233-L236 WeakPolarHBondContact O-CB 3.43Å; V233-L236 PolarHBondContact O-N 2.78Å; V233-F237 HydrophobicContact CG1-CD2 3.86Å; V233-F237 HydrophobicContact CG1-CE2 3.82Å; V233-F237 WeakPolarHBondContact O-CD2 3.4Å; V233-F237 PolarHBondContact O-N 3.09Å; V233-F237 VanDerWaalsContact O-N 3.09Å
234Q97.8Very high97.7Very high87 Ų8737.7 Ų37.741%0.40719%0.192SC..Hα-helixtrans-54.5-45.2175.5-69.41730.600111.1N229 D230 P231 L236 F237 A238N229-Q234 PolarHBondContact OD1-NE2 3.47Å; N229-Q234 VanDerWaalsContact OD1-NE2 3.15Å; D230-Q234 WeakPolarHBondContact O-CG 3.43Å; D230-Q234 PolarHBondContact O-N 3.09Å; P231-Q234 PolarHBondContact O-N 3.16Å; Q234-L236 PolarHBondContact O-N 2.95Å; Q234-F237 PolarHBondContact O-N 3.43Å; Q234-A238 WeakPolarHBondContact O-CB 3.49Å; Q234-A238 PolarHBondContact O-N 2.92Å
235Q97.5Very high97.7Very high95 Ų9534.6 Ų34.644%0.44418%0.181SC..Hα-helixtrans-63.8-40.5176.7-170.66246.100112.6P231 V232 V233 F237 A238 D239P231-Q235 WeakPolarHBondContact O-CB 3.27Å; P231-Q235 PolarHBondContact O-N 3.39Å; V232-Q235 PolarHBondContact O-N 3.11Å; V233-Q235 VanDerWaalsContact C-N 3.27Å; V233-Q235 PolarHBondContact O-N 2.89Å; Q235-F237 VanDerWaalsContact C-N 3.31Å; Q235-F237 PolarHBondContact O-N 3.37Å; Q235-A238 PolarHBondContact O-N 2.83Å; Q235-D239 PolarHBondContact NE2-OD1 3.3Å; Q235-D239 WeakPolarHBondContact O-CB 3.36Å; Q235-D239 PolarHBondContact O-N 2.97Å
236L98.3Very high97.6Very high1 Ų136.3 Ų36.31%0.00519%0.192CC..Hα-helixtrans-60.3-40.9178.1-73.4166.2000112I164 R167 A168 K171 V232 V233 Q234 A240I164-L236 HydrophobicContact CG2-CB 4.49Å; R167-L236 HydrophobicContact CB-CD2 3.59Å; A168-L236 HydrophobicContact CB-CD1 3.75Å; K171-L236 HydrophobicContact CD-CD1 4.4Å; K171-L236 HydrophobicContact CD-CD2 4.15Å; K171-L236 HydrophobicContact CD-CG 4.33Å; V232-L236 HydrophobicContact CG1-CD1 4.24Å; V232-L236 VanDerWaalsContact O-CG 3.3Å; V232-L236 WeakPolarHBondContact O-CG 3.23Å; V232-L236 PolarHBondContact O-N 3.44Å; V232-L236 VanDerWaalsContact O-N 3.09Å; V233-L236 WeakPolarHBondContact O-CB 3.43Å; V233-L236 PolarHBondContact O-N 2.78Å; Q234-L236 PolarHBondContact O-N 2.95Å; L236-A240 WeakPolarHBondContact O-CB 3.49Å; L236-A240 PolarHBondContact O-N 3.28Å; L236-A240 VanDerWaalsContact O-N 3.13Å
237F98.8Very high97.5Very high0 Ų035.5 Ų35.50%019%0.185CC..Hα-helixtrans-74-37.5176.2-80.5-84.6000112.4I164 L225 V233 Q234 Q235 A240 G241 L280 M281I164-F237 HydrophobicContact CD1-CD1 4Å; I164-F237 HydrophobicContact CD1-CE1 3.9Å; I164-F237 HydrophobicContact CG2-CE2 4.36Å; I164-F237 HydrophobicContact CG2-CZ 4.31Å; L225-F237 HydrophobicContact CB-CE2 4.11Å; L225-F237 HydrophobicContact CB-CZ 4.49Å; V233-F237 HydrophobicContact CG1-CD2 3.86Å; V233-F237 HydrophobicContact CG1-CE2 3.82Å; V233-F237 WeakPolarHBondContact O-CD2 3.4Å; V233-F237 PolarHBondContact O-N 3.09Å; V233-F237 VanDerWaalsContact O-N 3.09Å; Q234-F237 PolarHBondContact O-N 3.43Å; Q235-F237 VanDerWaalsContact C-N 3.31Å; Q235-F237 PolarHBondContact O-N 3.37Å; F237-A240 WeakPolarHBondContact O-CB 3.3Å; F237-A240 PolarHBondContact O-N 3.33Å; F237-G241 PolarHBondContact O-N 3.27Å; F237-L280 HydrophobicContact CB-CB 3.52Å; F237-L280 HydrophobicContact CD1-CB 4.16Å; F237-L280 HydrophobicContact CD1-CD1 4.38Å; F237-L280 HydrophobicContact CD2-CB 4.28Å; F237-L280 HydrophobicContact CD2-CD1 3.79Å; F237-L280 HydrophobicContact CE2-CD1 3.99Å; F237-L280 HydrophobicContact CG-CB 3.74Å; F237-L280 HydrophobicContact CG-CD1 4.01Å; F237-L280 HydrophobicContact CZ-CD1 4.38Å; F237-M281 HydrophobicContact CB-CG 4.12Å; F237-M281 HydrophobicContact CD1-CG 3.85Å; F237-M281 HydrophobicContact CD1-SD 4.49Å; F237-M281 WeakPolarHBondContact O-CA 3.44Å; F237-M281 WeakPolarHBondContact O-CG 3.36Å
238A98.5Very high97.4Very high19 Ų1928.4 Ų28.416%0.15715%0.151CC..Hα-helixtrans-60.2-46.4172.700000111Q234 Q235 A240 G241 R242 L280 G284Q234-A238 WeakPolarHBondContact O-CB 3.49Å; Q234-A238 PolarHBondContact O-N 2.92Å; Q235-A238 PolarHBondContact O-N 2.83Å; A238-A240 VanDerWaalsContact C-N 3.28Å; A238-A240 PolarHBondContact O-N 3.47Å; A238-G241 PolarHBondContact O-N 2.94Å; A238-G241 VanDerWaalsContact O-N 3.15Å; A238-R242 PolarHBondContact O-N 2.86Å; A238-L280 PolarHBondContact N-O 3.21Å; A238-G284 WeakPolarHBondContact O-CA 3.17Å
239D98.5Very high97.2Very high38 Ų3828.7 Ų28.720%0.20315%0.151CC..Hα-helixtrans-59-41.4175.7-63.9-17000111.5W163 R167 Q235 R242 A243W163-D239 HydrophobicContact CH2-CB 3.77Å; W163-D239 HydrophobicContact CZ3-CB 4.12Å; R167-D239 IonicContact CZ-OD2 2.9Å; R167-D239 IonicContact NH2-OD2 3.43Å; R167-D239 PolarHBondContact NH2-OD2 2.85Å; Q235-D239 PolarHBondContact NE2-OD1 3.3Å; Q235-D239 WeakPolarHBondContact O-CB 3.36Å; Q235-D239 PolarHBondContact O-N 2.97Å; D239-R242 PolarHBondContact O-N 3.47Å; D239-A243 PolarHBondContact O-N 3.19Å
240A98.8Very high97.1Very high0 Ų024.3 Ų24.30%013%0.134CC..Hα-helixtrans-63.3-43.2176.200000112.1W163 I164 L236 F237 A238 R242 A243 L244W163-A240 HydrophobicContact CE3-CB 4.34Å; W163-A240 HydrophobicContact CZ3-CB 4.05Å; I164-A240 HydrophobicContact CD1-CB 3.68Å; I164-A240 HydrophobicContact CG1-CB 3.71Å; L236-A240 WeakPolarHBondContact O-CB 3.49Å; L236-A240 PolarHBondContact O-N 3.28Å; L236-A240 VanDerWaalsContact O-N 3.13Å; F237-A240 WeakPolarHBondContact O-CB 3.3Å; F237-A240 PolarHBondContact O-N 3.33Å; A238-A240 VanDerWaalsContact C-N 3.28Å; A238-A240 PolarHBondContact O-N 3.47Å; A240-R242 VanDerWaalsContact C-N 3.34Å; A240-R242 PolarHBondContact O-N 3.15Å; A240-A243 PolarHBondContact O-N 2.83Å; A240-L244 VanDerWaalsContact O-CG 3.31Å; A240-L244 WeakPolarHBondContact O-CG 3.41Å; A240-L244 PolarHBondContact O-N 2.73Å
241G98.5Very high96.9Very high0 Ų024 Ų240%013%0.133CC..Hα-helixtrans-57.2-46.9173.400000111.9F237 A238 A243 L244 A245 F285F237-G241 PolarHBondContact O-N 3.27Å; A238-G241 PolarHBondContact O-N 2.94Å; A238-G241 VanDerWaalsContact O-N 3.15Å; G241-A243 PolarHBondContact O-N 3.38Å; G241-L244 PolarHBondContact O-N 2.82Å; G241-A245 WeakPolarHBondContact O-CB 3.27Å; G241-A245 PolarHBondContact O-N 3.2Å; G241-F285 WeakPolarHBondContact O-CA 3.32Å; G241-F285 WeakPolarHBondContact O-CD2 3.31Å
242R97.7Very high96.7Very high68 Ų6821.6 Ų21.626%0.25712%0.117SC..Hα-helixtrans-60.2-46.3177.1-175.2178.5172.387.22.9111.5A238 D239 A240 L244 A245 C246 G284 D287 D293A238-R242 PolarHBondContact O-N 2.86Å; D239-R242 PolarHBondContact O-N 3.47Å; A240-R242 VanDerWaalsContact C-N 3.34Å; A240-R242 PolarHBondContact O-N 3.15Å; R242-L244 PolarHBondContact O-N 3.41Å; R242-A245 PolarHBondContact O-N 2.79Å; R242-C246 PolarHBondContact O-N 2.63Å; R242-C246 PolarHBondContact O-SG 3.25Å; R242-C246 VanDerWaalsContact O-SG 3.36Å; R242-G284 WeakPolarHBondContact CA-O 3.09Å; R242-G284 WeakPolarHBondContact CB-O 3.39Å; R242-G284 VanDerWaalsContact N-C 3.31Å; R242-G284 PolarHBondContact N-O 3.48Å; R242-D287 IonicContact CZ-OD2 2.68Å; R242-D287 IonicContact NE-OD2 3.88Å; R242-D287 IonicContact NH1-OD1 2.73Å; R242-D287 PolarHBondContact NH1-OD1 2.93Å; R242-D287 IonicContact NH1-OD2 2.78Å; R242-D287 PolarHBondContact NH1-OD2 3.43Å; R242-D293 IonicContact NH2-OD1 2.71Å; R242-D293 IonicContact NH2-OD2 3.79Å; R242-D293 PolarHBondContact NH2-OD2 3.33Å
243A97.8Very high96.4Very high18 Ų1825.9 Ų25.915%0.14914%0.143CC..Hα-helixtrans-60.8-43.5178.500000112.8D158 D239 A240 G241 C246 H247D158-A243 HydrophobicContact CB-CB 3.86Å; D239-A243 PolarHBondContact O-N 3.19Å; A240-A243 PolarHBondContact O-N 2.83Å; G241-A243 PolarHBondContact O-N 3.38Å; A243-C246 WeakPolarHBondContact O-CB 3.37Å; A243-C246 PolarHBondContact O-N 3.28Å; A243-H247 PolarHBondContact O-N 3.39Å; A243-H247 PolarHBondContact O-ND1 2.59Å
244L98.6Very high96.2Very high0 Ų033.8 Ų33.80%017%0.173CC..Hα-helixtrans-69.5-36.5178.6-68.5167.1000112.1L128 A130 A240 G241 R242 C246 H247 V248 W275 M281 F285L128-L244 HydrophobicContact CD1-CD2 4.47Å; L128-L244 HydrophobicContact CD2-CB 4.31Å; A130-L244 HydrophobicContact CB-CD1 3.76Å; A130-L244 HydrophobicContact CB-CD2 3.93Å; A240-L244 VanDerWaalsContact O-CG 3.31Å; A240-L244 WeakPolarHBondContact O-CG 3.41Å; A240-L244 PolarHBondContact O-N 2.73Å; G241-L244 PolarHBondContact O-N 2.82Å; R242-L244 PolarHBondContact O-N 3.41Å; L244-C246 VanDerWaalsContact C-N 3.34Å; L244-H247 WeakPolarHBondContact O-CB 3.42Å; L244-H247 PolarHBondContact O-N 3.23Å; L244-V248 PolarHBondContact O-N 2.92Å; L244-W275 HydrophobicContact CB-CH2 3.89Å; L244-W275 HydrophobicContact CB-CZ2 4.46Å; L244-W275 HydrophobicContact CD1-CH2 3.55Å; L244-W275 HydrophobicContact CD1-CZ2 3.83Å; L244-W275 HydrophobicContact CD1-CZ3 4.21Å; L244-W275 HydrophobicContact CD2-CZ2 4.39Å; L244-W275 HydrophobicContact CG-CH2 4.2Å; L244-W275 HydrophobicContact CG-CZ2 4.46Å; L244-M281 HydrophobicContact CD1-SD 4.18Å; L244-F285 HydrophobicContact CB-CD2 4.33Å; L244-F285 HydrophobicContact CB-CE2 4.23Å
245A97Very high95.9Very high0 Ų029.7 Ų29.70%015%0.154CC..Hα-helixtrans-65.4-37.2172.200000112.5G241 R242 H247 V248 R249 F285 L289G241-A245 WeakPolarHBondContact O-CB 3.27Å; G241-A245 PolarHBondContact O-N 3.2Å; R242-A245 PolarHBondContact O-N 2.79Å; A245-H247 PolarHBondContact O-N 3.17Å; A245-V248 WeakPolarHBondContact O-CB 3.49Å; A245-V248 PolarHBondContact O-N 3.31Å; A245-V248 VanDerWaalsContact O-N 3.12Å; A245-R249 PolarHBondContact O-N 3.36Å; A245-F285 HydrophobicContact CB-CD1 4.45Å; A245-F285 HydrophobicContact CB-CD2 3.76Å; A245-F285 HydrophobicContact CB-CE2 4Å; A245-F285 HydrophobicContact CB-CG 4.01Å; A245-F285 HydrophobicContact CB-CZ 4.46Å; A245-F285 WeakPolarHBondContact CB-O 3.37Å; A245-L289 HydrophobicContact CB-CD2 4.14Å; A245-L289 HydrophobicContact CB-CG 3.9Å
246C95.5Very high95.4Very high36 Ų3630.3 Ų30.324%0.24316%0.157CC..Hα-helixtrans-59.3-33.8171.9-75.40000112.2R242 A243 L244 A250R242-C246 PolarHBondContact O-N 2.63Å; R242-C246 PolarHBondContact O-SG 3.25Å; R242-C246 VanDerWaalsContact O-SG 3.36Å; A243-C246 WeakPolarHBondContact O-CB 3.37Å; A243-C246 PolarHBondContact O-N 3.28Å; L244-C246 VanDerWaalsContact C-N 3.34Å; C246-A250 WeakPolarHBondContact O-CB 3.41Å; C246-A250 PolarHBondContact O-N 2.94Å
247H96.4Very high94.9Very high17 Ų1730.9 Ų30.98%0.07916%0.16CC..Hα-helixtrans-64.4-45.4173.5-73.452.5000111.8L128 C136 C148 A243 L244 A245 A250 V251L128-H247 HydrophobicContact CD1-CB 3.85Å; C136-H247 HydrophobicContact CB-CB 3.71Å; C148-H247 PolarHBondContact SG-O 3.48Å; A243-H247 PolarHBondContact O-N 3.39Å; A243-H247 PolarHBondContact O-ND1 2.59Å; L244-H247 WeakPolarHBondContact O-CB 3.42Å; L244-H247 PolarHBondContact O-N 3.23Å; A245-H247 PolarHBondContact O-N 3.17Å; H247-A250 PolarHBondContact O-N 3.14Å; H247-V251 PolarHBondContact O-N 2.81Å
248V96Very high94.1Very high0 Ų036 Ų360%018%0.184CC..Hα-helixtrans-60.2-47.4176.7177.80000110.4I126 L128 L244 A245 A250 V251 A252 L266 V268 F285 L289 I299I126-V248 HydrophobicContact CD1-CG1 4.15Å; L128-V248 HydrophobicContact CD1-CG2 4.18Å; L128-V248 HydrophobicContact CD2-CG2 3.58Å; L128-V248 HydrophobicContact CG-CG2 4.35Å; L244-V248 PolarHBondContact O-N 2.92Å; A245-V248 WeakPolarHBondContact O-CB 3.49Å; A245-V248 PolarHBondContact O-N 3.31Å; A245-V248 VanDerWaalsContact O-N 3.12Å; V248-A250 PolarHBondContact O-N 2.96Å; V248-V251 VanDerWaalsContact O-CG2 3.22Å; V248-V251 WeakPolarHBondContact O-CG2 3.39Å; V248-V251 PolarHBondContact O-N 3.21Å; V248-A252 WeakPolarHBondContact O-CB 3.49Å; V248-A252 PolarHBondContact O-N 3.48Å; V248-L266 HydrophobicContact CG1-CD2 3.83Å; V248-V268 HydrophobicContact CG1-CG2 4.03Å; V248-V268 HydrophobicContact CG2-CG1 4.27Å; V248-F285 HydrophobicContact CG2-CZ 4.26Å; V248-L289 HydrophobicContact CB-CD2 4.19Å; V248-L289 HydrophobicContact CG1-CD2 4.11Å; V248-I299 HydrophobicContact CG1-CD1 4.27Å
249R92.9Very high93.7Very high21 Ų2139.8 Ų39.88%0.07920%0.197CC..Hα-helixtrans-58.9-47.2177.8-170.9179.658.6173.4-9.6111.5A245 V251 A252 T253 A291 D293 I299A245-R249 PolarHBondContact O-N 3.36Å; R249-V251 VanDerWaalsContact C-N 3.32Å; R249-V251 PolarHBondContact O-N 2.89Å; R249-A252 PolarHBondContact O-N 3.13Å; R249-T253 PolarHBondContact O-N 3.05Å; R249-T253 PolarHBondContact O-OG1 3.44Å; R249-A291 VanDerWaalsContact NH1-C 3.35Å; R249-A291 PolarHBondContact NH1-O 3.42Å; R249-D293 IonicContact NH1-OD1 2.79Å; R249-I299 HydrophobicContact CB-CD1 4.38Å
250A92.8Very high93.3Very high49 Ų4940.9 Ų40.941%0.40520%0.2SC..Hα-helixtrans-58.3-40.7-17900000113C246 H247 V248C246-A250 WeakPolarHBondContact O-CB 3.41Å; C246-A250 PolarHBondContact O-N 2.94Å; H247-A250 PolarHBondContact O-N 3.14Å; V248-A250 PolarHBondContact O-N 2.96Å
251V93.8Very high92.8Very high2 Ų242.9 Ų42.91%0.01222%0.22CC..Hα-helixtrans-78.2-39.1176.1-61.20000112.3I126 C136 C148 H247 V248 R249 T253 R254 W255I126-V251 HydrophobicContact CD1-CG2 3.67Å; I126-V251 HydrophobicContact CG1-CG2 4.01Å; I126-V251 HydrophobicContact CG2-CG2 4.11Å; C136-V251 HydrophobicContact CB-CG1 4.49Å; C136-V251 VanDerWaalsContact SG-CG2 3.54Å; C148-V251 HydrophobicContact CB-CG1 4.44Å; H247-V251 PolarHBondContact O-N 2.81Å; V248-V251 VanDerWaalsContact O-CG2 3.22Å; V248-V251 WeakPolarHBondContact O-CG2 3.39Å; V248-V251 PolarHBondContact O-N 3.21Å; R249-V251 VanDerWaalsContact C-N 3.32Å; R249-V251 PolarHBondContact O-N 2.89Å; V251-T253 PolarHBondContact O-N 3.12Å; V251-R254 WeakPolarHBondContact O-CB 3.45Å; V251-R254 PolarHBondContact O-N 3.09Å; V251-R254 VanDerWaalsContact O-N 3.09Å; V251-W255 VanDerWaalsContact O-CD1 3.3Å; V251-W255 PolarHBondContact O-N 3.24Å
252A92.2Very high92.1Very high1 Ų146.4 Ų46.41%0.00825%0.245CC..Hα-helixtrans-67-35.5-178.300000112.5I126 V248 R249 R254 W255 V257 L266 I299I126-A252 HydrophobicContact CD1-CB 4.42Å; V248-A252 WeakPolarHBondContact O-CB 3.49Å; V248-A252 PolarHBondContact O-N 3.48Å; R249-A252 PolarHBondContact O-N 3.13Å; A252-R254 PolarHBondContact O-N 2.93Å; A252-W255 WeakPolarHBondContact O-CB 3.33Å; A252-W255 PolarHBondContact O-N 3.03Å; A252-V257 HydrophobicContact CB-CG1 4.37Å; A252-L266 HydrophobicContact CB-CD2 3.76Å; A252-I299 HydrophobicContact CB-CD1 3.72Å; A252-I299 HydrophobicContact CB-CG1 4.01Å
253T90.4Very high91.7Very high91 Ų9149.7 Ų49.756%0.55827%0.268SS*.Hα-helixtrans-58.2-32.1172.9-61.70000111.7R249 V251 W255 Q256R249-T253 PolarHBondContact O-N 3.05Å; R249-T253 PolarHBondContact O-OG1 3.44Å; V251-T253 PolarHBondContact O-N 3.12Å; T253-W255 VanDerWaalsContact C-N 3.31Å; T253-W255 PolarHBondContact O-N 2.91Å; T253-Q256 PolarHBondContact O-N 3.04Å
254R92.2Very high91.4Very high167 Ų16751.3 Ų51.363%0.6327%0.272SS*.Hα-helixtrans-73.8-22.6176.4-57.7-68.9-171.8155.21.7113.1Y146 V251 A252 Q256Y146-R254 HydrophobicContact CD1-CB 3.54Å; Y146-R254 HydrophobicContact CD1-CG 3.98Å; Y146-R254 HydrophobicContact CD2-CB 4Å; Y146-R254 HydrophobicContact CE1-CB 3.66Å; Y146-R254 HydrophobicContact CE1-CG 4.37Å; Y146-R254 HydrophobicContact CE2-CB 4.08Å; Y146-R254 HydrophobicContact CG-CB 3.7Å; Y146-R254 HydrophobicContact CG-CG 4.33Å; Y146-R254 PolarHBondContact OH-O 2.9Å; V251-R254 WeakPolarHBondContact O-CB 3.45Å; V251-R254 PolarHBondContact O-N 3.09Å; V251-R254 VanDerWaalsContact O-N 3.09Å; A252-R254 PolarHBondContact O-N 2.93Å; R254-Q256 VanDerWaalsContact C-N 3.27Å; R254-Q256 PolarHBondContact O-N 3.41Å
255W91.8Very high91.2Very high0 Ų055.5 Ų55.50%029%0.287CS..Hα-helixtrans-74.8-17177.7-73.525.5000113.1I126 S138 L139 Y146 V251 A252 T253 V257 K259 F264 L266I126-W255 HydrophobicContact CG1-CH2 4.13Å; I126-W255 HydrophobicContact CG1-CZ2 3.88Å; S138-W255 PolarHBondContact OG-NE1 3.47Å; L139-W255 VanDerWaalsContact O-CH2 3.27Å; L139-W255 WeakPolarHBondContact O-CH2 3.47Å; L139-W255 WeakPolarHBondContact O-CZ2 3.47Å; Y146-W255 AromaticContact CD2-CD1 3.39Å; Y146-W255 AromaticContact CD2-NE1 3.57Å; Y146-W255 AromaticContact CE2-CD1 3.69Å; V251-W255 VanDerWaalsContact O-CD1 3.3Å; V251-W255 PolarHBondContact O-N 3.24Å; A252-W255 WeakPolarHBondContact O-CB 3.33Å; A252-W255 PolarHBondContact O-N 3.03Å; T253-W255 VanDerWaalsContact C-N 3.31Å; T253-W255 PolarHBondContact O-N 2.91Å; W255-V257 HydrophobicContact CB-CG1 3.9Å; W255-K259 VanDerWaalsContact O-CE 3.22Å; W255-K259 WeakPolarHBondContact O-CE 3.37Å; W255-K259 PolarHBondContact O-NZ 2.79Å; W255-F264 HydrophobicContact CZ3-CZ 4.4Å; W255-L266 HydrophobicContact CE3-CD1 3.81Å; W255-L266 HydrophobicContact CZ3-CD1 3.8Å
256Q87.6Confident91.2Very high109 Ų10955.7 Ų55.751%0.50929%0.288SS..THydrogen-bonded Turntrans53.954.8-171.4-65.1171.3-12.500110.3T253 R254 E258 K259T253-Q256 PolarHBondContact O-N 3.04Å; R254-Q256 VanDerWaalsContact C-N 3.27Å; R254-Q256 PolarHBondContact O-N 3.41Å; Q256-E258 WeakPolarHBondContact CA-OE1 3.31Å; Q256-E258 WeakPolarHBondContact CA-OE2 3.41Å; Q256-E258 VanDerWaalsContact CB-OE1 3.25Å; Q256-E258 WeakPolarHBondContact CB-OE1 3.22Å; Q256-E258 PolarHBondContact O-N 3.38Å; Q256-K259 HydrophobicContact CB-CD 4.09Å; Q256-K259 WeakPolarHBondContact O-CB 3.24Å; Q256-K259 WeakPolarHBondContact O-CD 3.31Å; Q256-K259 WeakPolarHBondContact O-CG 3.21Å; Q256-K259 PolarHBondContact O-N 3.14Å
257V86.5Confident91.3Very high12 Ų1255 Ų557%0.07328%0.283CS..G310 helixtrans-55.6-25.6-168.7-68.40000114.1A252 W255 K259 F260 F264 L266 Q298A252-V257 HydrophobicContact CB-CG1 4.37Å; W255-V257 HydrophobicContact CB-CG1 3.9Å; V257-K259 PolarHBondContact O-N 2.79Å; V257-F260 HydrophobicContact CB-CD2 4.5Å; V257-F260 WeakPolarHBondContact O-CD2 3.44Å; V257-F260 PolarHBondContact O-N 3.13Å; V257-F260 VanDerWaalsContact O-N 3.07Å; V257-F264 HydrophobicContact CB-CD1 4.48Å; V257-F264 HydrophobicContact CG1-CE1 4.36Å; V257-L266 HydrophobicContact CG1-CD1 4.17Å; V257-Q298 HydrophobicContact CG2-CB 3.82Å
258E83.2Confident91.4Very high108 Ų10854.2 Ų54.251%0.50528%0.28SS..G310 helixtrans-56-29.1174.464.2-77.4177.600113.6Q256 F260 G261Q256-E258 WeakPolarHBondContact CA-OE1 3.31Å; Q256-E258 WeakPolarHBondContact CA-OE2 3.41Å; Q256-E258 VanDerWaalsContact CB-OE1 3.25Å; Q256-E258 WeakPolarHBondContact CB-OE1 3.22Å; Q256-E258 PolarHBondContact O-N 3.38Å; E258-F260 PolarHBondContact O-N 3.09Å; E258-G261 PolarHBondContact O-N 3.35Å
259K90.3Very high91.5Very high98 Ų9854.2 Ų54.243%0.42628%0.28SS..G310 helixtrans-68.6-15.7178.682.1-165.4178.2-174.60113.4D142 W255 Q256 V257D142-K259 IonicContact OD2-NZ 2.95Å; D142-K259 PolarHBondContact OD2-NZ 3.25Å; W255-K259 VanDerWaalsContact O-CE 3.22Å; W255-K259 WeakPolarHBondContact O-CE 3.37Å; W255-K259 PolarHBondContact O-NZ 2.79Å; Q256-K259 HydrophobicContact CB-CD 4.09Å; Q256-K259 WeakPolarHBondContact O-CB 3.24Å; Q256-K259 WeakPolarHBondContact O-CD 3.31Å; Q256-K259 WeakPolarHBondContact O-CG 3.21Å; Q256-K259 PolarHBondContact O-N 3.14Å; V257-K259 PolarHBondContact O-N 2.79Å
260F89.3Confident91.8Very high62 Ų6253.5 Ų53.527%0.27228%0.278SS..G310 helixtrans-91.50.9178.9-53.8-62.2000113.3P141 V257 E258 F264P141-F260 HydrophobicContact CB-CE1 4Å; P141-F260 HydrophobicContact CB-CZ 4.23Å; P141-F260 HydrophobicContact CG-CE1 3.93Å; P141-F260 HydrophobicContact CG-CE2 4.48Å; P141-F260 HydrophobicContact CG-CZ 3.85Å; V257-F260 HydrophobicContact CB-CD2 4.5Å; V257-F260 WeakPolarHBondContact O-CD2 3.44Å; V257-F260 PolarHBondContact O-N 3.13Å; V257-F260 VanDerWaalsContact O-N 3.07Å; E258-F260 PolarHBondContact O-N 3.09Å; F260-F264 HydrophobicContact CB-CB 3.72Å; F260-F264 HydrophobicContact CB-CD1 4.08Å; F260-F264 HydrophobicContact CB-CD2 3.52Å; F260-F264 HydrophobicContact CB-CE2 4.13Å; F260-F264 HydrophobicContact CB-CG 3.49Å; F260-F264 VanDerWaalsContact CB-CG 3.49Å; F260-F264 HydrophobicContact CD2-CD1 4.13Å; F260-F264 HydrophobicContact CD2-CD2 4.4Å; F260-F264 AromaticContact CD2-CE1 3.98Å; F260-F264 HydrophobicContact CD2-CE1 3.98Å; F260-F264 HydrophobicContact CD2-CE2 4.27Å; F260-F264 HydrophobicContact CD2-CG 4.33Å; F260-F264 HydrophobicContact CD2-CZ 4.06Å; F260-F264 HydrophobicContact CG-CD1 4.5Å; F260-F264 HydrophobicContact CG-CD2 4.09Å; F260-F264 HydrophobicContact CG-CE2 4.19Å; F260-F264 HydrophobicContact CG-CG 4.25Å; F260-F264 HydrophobicContact CG-CZ 4.44Å
261G88.1Confident92Very high41 Ų4152.4 Ų52.442%0.42327%0.265SS..  trans90.7164.1179.200000114.1E258 D263 F264E258-G261 PolarHBondContact O-N 3.35Å; G261-D263 VanDerWaalsContact C-N 3.26Å; G261-D263 PolarHBondContact O-N 3.35Å; G261-F264 WeakPolarHBondContact O-CB 3.37Å; G261-F264 PolarHBondContact O-N 3.4Å
262S84.9Confident92.2Very high74 Ų7454 Ų5452%0.51728%0.281SS..THydrogen-bonded Turntrans-63.9-28.9-174.9530000114.3F264 N301S262-F264 VanDerWaalsContact C-N 3.31Å; S262-N301 PolarHBondContact O-ND2 2.99Å
263D88.9Confident92.4Very high137 Ų13757.5 Ų57.573%0.73331%0.306SS*.THydrogen-bonded Turntrans-90-2.5-175-56.4-17.6000111.9G261 R265G261-D263 VanDerWaalsContact C-N 3.26Å; G261-D263 PolarHBondContact O-N 3.35Å; D263-R265 WeakPolarHBondContact O-CG 3.49Å; D263-R265 PolarHBondContact O-N 2.93Å
264F92Very high92.7Very high53 Ų5353.3 Ų53.323%0.23228%0.28CS..  trans-59.2126.8176.8-179.4-104.6000110.5W255 V257 F260 G261 S262 L266W255-F264 HydrophobicContact CZ3-CZ 4.4Å; V257-F264 HydrophobicContact CB-CD1 4.48Å; V257-F264 HydrophobicContact CG1-CE1 4.36Å; F260-F264 HydrophobicContact CB-CB 3.72Å; F260-F264 HydrophobicContact CB-CD1 4.08Å; F260-F264 HydrophobicContact CB-CD2 3.52Å; F260-F264 HydrophobicContact CB-CE2 4.13Å; F260-F264 HydrophobicContact CB-CG 3.49Å; F260-F264 VanDerWaalsContact CB-CG 3.49Å; F260-F264 HydrophobicContact CD2-CD1 4.13Å; F260-F264 HydrophobicContact CD2-CD2 4.4Å; F260-F264 AromaticContact CD2-CE1 3.98Å; F260-F264 HydrophobicContact CD2-CE1 3.98Å; F260-F264 HydrophobicContact CD2-CE2 4.27Å; F260-F264 HydrophobicContact CD2-CG 4.33Å; F260-F264 HydrophobicContact CD2-CZ 4.06Å; F260-F264 HydrophobicContact CG-CD1 4.5Å; F260-F264 HydrophobicContact CG-CD2 4.09Å; F260-F264 HydrophobicContact CG-CE2 4.19Å; F260-F264 HydrophobicContact CG-CG 4.25Å; F260-F264 HydrophobicContact CG-CZ 4.44Å; G261-F264 WeakPolarHBondContact O-CB 3.37Å; G261-F264 PolarHBondContact O-N 3.4Å; S262-F264 VanDerWaalsContact C-N 3.31Å; F264-L266 HydrophobicContact CE1-CB 4.34Å; F264-L266 HydrophobicContact CE1-CD1 4.04Å
265R94.4Very high93Very high88 Ų8845.4 Ų45.433%0.33225%0.25SS..EExtended strand (participates in β ladder)trans-105.6113.2177.5-51.2-171.963.272.79.2108.7D263 P267 N301 D303D263-R265 WeakPolarHBondContact O-CG 3.49Å; D263-R265 PolarHBondContact O-N 2.93Å; R265-P267 WeakPolarHBondContact O-CD 3.24Å; R265-N301 HydrophobicContact CB-CB 4.19Å; R265-N301 HydrophobicContact CG-CB 3.92Å; R265-N301 PolarHBondContact NH1-OD1 3.48Å; R265-D303 WeakPolarHBondContact CB-OD2 3.33Å; R265-D303 WeakPolarHBondContact CD-OD2 3.43Å; R265-D303 IonicContact CZ-OD1 3.34Å; R265-D303 IonicContact CZ-OD2 3.25Å; R265-D303 IonicContact NE-OD1 3.6Å; R265-D303 PolarHBondContact NE-OD1 3.03Å; R265-D303 IonicContact NE-OD2 2.63Å; R265-D303 PolarHBondContact NE-OD2 2.91Å; R265-D303 IonicContact NH2-OD1 3.76Å; R265-D303 PolarHBondContact NH2-OD1 3.34Å
266L95.6Very high93.3Very high3 Ų351.5 Ų51.52%0.01628%0.283CS..EExtended strand (participates in β ladder)trans-66.6114.6-177.6-176.468.1000109.9I126 V248 A252 W255 V257 F264 V268 I299 N301 V302 D303I126-L266 HydrophobicContact CD1-CD1 3.74Å; I126-L266 HydrophobicContact CD1-CD2 3.75Å; I126-L266 HydrophobicContact CD1-CG 3.87Å; V248-L266 HydrophobicContact CG1-CD2 3.83Å; A252-L266 HydrophobicContact CB-CD2 3.76Å; W255-L266 HydrophobicContact CE3-CD1 3.81Å; W255-L266 HydrophobicContact CZ3-CD1 3.8Å; V257-L266 HydrophobicContact CG1-CD1 4.17Å; F264-L266 HydrophobicContact CE1-CB 4.34Å; F264-L266 HydrophobicContact CE1-CD1 4.04Å; L266-V268 HydrophobicContact CD2-CG2 4.32Å; L266-V268 HydrophobicContact CG-CG2 4.21Å; L266-V268 PolarHBondContact O-N 2.75Å; L266-I299 HydrophobicContact CD2-CD1 4.02Å; L266-I299 HydrophobicContact CD2-CG1 4.27Å; L266-I299 HydrophobicContact CD2-CG2 4.3Å; L266-N301 WeakPolarHBondContact CB-O 3.46Å; L266-N301 PolarHBondContact N-O 3.47Å; L266-V302 HydrophobicContact CB-CG2 4.43Å; L266-V302 WeakPolarHBondContact O-CA 3.12Å; L266-D303 PolarHBondContact O-N 3.24Å
267P97.5Very high93.8Very high22 Ų2247.1 Ų47.114%0.14326%0.264CS..EExtended strand (participates in β ladder)trans-84.2119.4-177.827.7-24.1000110.9F121 I126 R265 F305F121-P267 HydrophobicContact CD1-CB 4.21Å; F121-P267 HydrophobicContact CE1-CB 3.54Å; F121-P267 HydrophobicContact CE1-CG 4.34Å; F121-P267 HydrophobicContact CZ-CB 4.09Å; I126-P267 PolarHBondContact N-O 2.93Å; R265-P267 WeakPolarHBondContact O-CD 3.24Å; P267-F305 HydrophobicContact CB-CD2 4.46Å; P267-F305 HydrophobicContact CB-CE2 3.97Å
268V98.4Very high94.4Very high0 Ų046.8 Ų46.80%026%0.262CS..EExtended strand (participates in β ladder)trans-123.5117.3-179.7-176.10000109.7I126 L128 V248 L266 L270 V302 D303 L304 F305I126-V268 HydrophobicContact CB-CB 4.5Å; I126-V268 HydrophobicContact CB-CG1 4.4Å; I126-V268 HydrophobicContact CB-CG2 4.17Å; I126-V268 HydrophobicContact CD1-CG2 4.25Å; I126-V268 HydrophobicContact CG2-CG1 4.15Å; I126-V268 CarbonylContact O-C 3.53Å; I126-V268 WeakPolarHBondContact O-CA 3.49Å; L128-V268 HydrophobicContact CB-CG1 3.92Å; L128-V268 HydrophobicContact CD2-CG1 4.43Å; V248-V268 HydrophobicContact CG1-CG2 4.03Å; V248-V268 HydrophobicContact CG2-CG1 4.27Å; L266-V268 HydrophobicContact CD2-CG2 4.32Å; L266-V268 HydrophobicContact CG-CG2 4.21Å; L266-V268 PolarHBondContact O-N 2.75Å; V268-L270 HydrophobicContact CG1-CD2 4.14Å; V268-V302 HydrophobicContact CB-CG1 4.38Å; V268-V302 HydrophobicContact CG2-CG1 3.69Å; V268-D303 PolarHBondContact N-O 2.86Å; V268-L304 HydrophobicContact CB-CD2 3.83Å; V268-L304 HydrophobicContact CG1-CD2 4.19Å; V268-L304 HydrophobicContact CG2-CD2 4.37Å; V268-L304 CarbonylContact O-C 3.56Å; V268-L304 WeakPolarHBondContact O-CA 3.34Å; V268-F305 PolarHBondContact O-N 3.3Å
269L98.8Very high95.1Very high0 Ų047.9 Ų47.90%027%0.271CS..EExtended strand (participates in β ladder)trans-89122.1173.2-175.971.9000110.7A116 A120 F121 I126 V127 L128 I271 F305 L307A116-L269 HydrophobicContact CB-CD2 4.02Å; A120-L269 HydrophobicContact CB-CD1 4.08Å; A120-L269 HydrophobicContact CB-CD2 3.69Å; A120-L269 HydrophobicContact CB-CG 4.39Å; F121-L269 HydrophobicContact CE2-CB 3.58Å; F121-L269 HydrophobicContact CE2-CD2 4.43Å; F121-L269 HydrophobicContact CZ-CB 3.87Å; I126-L269 PolarHBondContact O-N 3.46Å; V127-L269 HydrophobicContact CG2-CB 4.46Å; V127-L269 HydrophobicContact CG2-CD2 4.28Å; L128-L269 PolarHBondContact N-O 2.96Å; L269-I271 HydrophobicContact CD2-CD1 3.88Å; L269-I271 HydrophobicContact CD2-CG1 4.09Å; L269-I271 HydrophobicContact CG-CD1 4Å; L269-I271 HydrophobicContact CG-CG1 4.14Å; L269-F305 HydrophobicContact CD1-CB 3.94Å; L269-L307 HydrophobicContact CD1-CD2 3.83Å; L269-L307 HydrophobicContact CD1-CG 3.91Å; L269-L307 HydrophobicContact CD2-CD1 4.41Å; L269-L307 HydrophobicContact CD2-CD2 3.97Å; L269-L307 HydrophobicContact CD2-CG 4.06Å; L269-L307 HydrophobicContact CG-CG 4.43Å
270L98.7Very high95.5Very high7 Ų745.6 Ų45.64%0.03726%0.263CS..EExtended strand (participates in β ladder)trans-89.8118.2177.7-55.6-176.6000110.2L128 V268 W275 L304 F305 K306 F338L128-L270 HydrophobicContact CB-CD2 4.46Å; L128-L270 HydrophobicContact CD2-CD2 4.19Å; V268-L270 HydrophobicContact CG1-CD2 4.14Å; L270-W275 HydrophobicContact CB-CB 4.38Å; L270-W275 HydrophobicContact CB-CD2 3.95Å; L270-W275 HydrophobicContact CB-CG 3.78Å; L270-W275 HydrophobicContact CD1-CD2 4.01Å; L270-W275 HydrophobicContact CD1-CE3 3.89Å; L270-W275 HydrophobicContact CD1-CG 4.3Å; L270-W275 HydrophobicContact CD1-CZ3 4.49Å; L270-W275 HydrophobicContact CD2-CD2 3.95Å; L270-W275 HydrophobicContact CD2-CE3 4.05Å; L270-W275 HydrophobicContact CD2-CH2 3.99Å; L270-W275 HydrophobicContact CD2-CZ2 3.9Å; L270-W275 HydrophobicContact CD2-CZ3 4.05Å; L270-W275 HydrophobicContact CG-CD2 4.2Å; L270-W275 HydrophobicContact CG-CE3 4.42Å; L270-W275 HydrophobicContact CG-CG 4.48Å; L270-L304 HydrophobicContact CD1-CB 4.01Å; L270-L304 HydrophobicContact CD1-CD1 4.26Å; L270-L304 HydrophobicContact CD2-CD2 4.33Å; L270-L304 HydrophobicContact CG-CB 4.3Å; L270-F305 PolarHBondContact N-O 2.9Å; L270-K306 HydrophobicContact CB-CG 4.38Å; L270-F338 HydrophobicContact CD1-CD1 3.72Å; L270-F338 HydrophobicContact CD1-CE1 4.08Å
271I98Very high95.9Very high26 Ų2642.6 Ų42.613%0.13325%0.25CS..EExtended strand (participates in β ladder)trans-120.2137.6178.2-62.4-63000110A116 V127 L128 I129 A130 L269 W275 L307 P311A116-I271 HydrophobicContact CB-CD1 4.13Å; A116-I271 HydrophobicContact CB-CG1 3.97Å; V127-I271 HydrophobicContact CG1-CG1 3.9Å; L128-I271 PolarHBondContact O-N 2.73Å; I129-I271 CarbonylContact C-O 3.54Å; I129-I271 VanDerWaalsContact CA-O 3.31Å; I129-I271 WeakPolarHBondContact CA-O 3.45Å; I129-I271 HydrophobicContact CG1-CB 4.04Å; I129-I271 HydrophobicContact CG1-CG2 4.17Å; A130-I271 PolarHBondContact N-O 2.89Å; L269-I271 HydrophobicContact CD2-CD1 3.88Å; L269-I271 HydrophobicContact CD2-CG1 4.09Å; L269-I271 HydrophobicContact CG-CD1 4Å; L269-I271 HydrophobicContact CG-CG1 4.14Å; I271-W275 VanDerWaalsContact C-CD1 3.49Å; I271-W275 PolarHBondContact O-NE1 3.08Å; I271-L307 HydrophobicContact CD1-CD1 3.76Å; I271-L307 HydrophobicContact CD1-CG 4.04Å; I271-P311 HydrophobicContact CD1-CG 4.32Å
272G96.8Very high96.3Very high35 Ų3543.7 Ų43.736%0.36124%0.244SC..SBendtrans105.7161.5176.900000114.3A130 V274A130-G272 CarbonylContact O-C 3.58Å; A130-G272 WeakPolarHBondContact O-CA 3.02Å; G272-V274 VanDerWaalsContact C-N 3.35Å; G272-V274 PolarHBondContact O-N 2.72Å
273S96.4Very high96.9Very high74 Ų7444.3 Ų44.352%0.51725%0.247SC..G310 helixtrans-76.6-17.5-167.955.90000114.6A130 W275 N276A130-S273 PolarHBondContact O-N 3.2Å; S273-W275 PolarHBondContact O-N 3.37Å; S273-N276 WeakPolarHBondContact O-CB 3.44Å; S273-N276 PolarHBondContact O-N 3.27Å; S273-N276 VanDerWaalsContact O-N 3.14Å; S273-N276 PolarHBondContact O-ND2 3.34Å
274V98.4Very high97.3Very high4 Ų438 Ų382%0.02421%0.214CC..G310 helixtrans-64.4-31.9-179.8-176.60000110.3A130 A161 I164 G272 N276 S277 M281A130-V274 HydrophobicContact CB-CB 3.89Å; A130-V274 HydrophobicContact CB-CG1 4.44Å; A130-V274 HydrophobicContact CB-CG2 4.28Å; A130-V274 VanDerWaalsContact O-CB 3.27Å; A130-V274 WeakPolarHBondContact O-CB 3.42Å; A130-V274 VanDerWaalsContact O-CG2 3.3Å; A130-V274 WeakPolarHBondContact O-CG2 3.46Å; A130-V274 PolarHBondContact O-N 3.19Å; A130-V274 VanDerWaalsContact O-N 3.09Å; A161-V274 HydrophobicContact CB-CG2 3.71Å; I164-V274 HydrophobicContact CD1-CG1 3.93Å; G272-V274 VanDerWaalsContact C-N 3.35Å; G272-V274 PolarHBondContact O-N 2.72Å; V274-N276 PolarHBondContact O-N 3.12Å; V274-S277 PolarHBondContact O-N 3.39Å; V274-M281 HydrophobicContact CG1-CE 3.96Å; V274-M281 HydrophobicContact CG1-SD 3.58Å; V274-M281 VanDerWaalsContact CG1-SD 3.58Å; V274-M281 VanDerWaalsContact O-CE 3.24Å; V274-M281 WeakPolarHBondContact O-CE 3.48Å
275W98.3Very high97.6Very high1 Ų135.5 Ų35.50%0.00420%0.203CC..G310 helixtrans-64.4-5.6175.1-57.8116.9000115.3L128 A130 L244 L270 I271 S273 F278 M281 F285 K306L128-W275 HydrophobicContact CB-CZ2 4.41Å; L128-W275 HydrophobicContact CD2-CH2 3.39Å; L128-W275 HydrophobicContact CD2-CZ2 3.38Å; L128-W275 HydrophobicContact CG-CH2 4.17Å; L128-W275 HydrophobicContact CG-CZ2 3.64Å; L128-W275 PolarHBondContact O-NE1 3.13Å; A130-W275 HydrophobicContact CB-CD2 4.43Å; A130-W275 HydrophobicContact CB-CZ2 3.66Å; L244-W275 HydrophobicContact CB-CH2 3.89Å; L244-W275 HydrophobicContact CB-CZ2 4.46Å; L244-W275 HydrophobicContact CD1-CH2 3.55Å; L244-W275 HydrophobicContact CD1-CZ2 3.83Å; L244-W275 HydrophobicContact CD1-CZ3 4.21Å; L244-W275 HydrophobicContact CD2-CZ2 4.39Å; L244-W275 HydrophobicContact CG-CH2 4.2Å; L244-W275 HydrophobicContact CG-CZ2 4.46Å; L270-W275 HydrophobicContact CB-CB 4.38Å; L270-W275 HydrophobicContact CB-CD2 3.95Å; L270-W275 HydrophobicContact CB-CG 3.78Å; L270-W275 HydrophobicContact CD1-CD2 4.01Å; L270-W275 HydrophobicContact CD1-CE3 3.89Å; L270-W275 HydrophobicContact CD1-CG 4.3Å; L270-W275 HydrophobicContact CD1-CZ3 4.49Å; L270-W275 HydrophobicContact CD2-CD2 3.95Å; L270-W275 HydrophobicContact CD2-CE3 4.05Å; L270-W275 HydrophobicContact CD2-CH2 3.99Å; L270-W275 HydrophobicContact CD2-CZ2 3.9Å; L270-W275 HydrophobicContact CD2-CZ3 4.05Å; L270-W275 HydrophobicContact CG-CD2 4.2Å; L270-W275 HydrophobicContact CG-CE3 4.42Å; L270-W275 HydrophobicContact CG-CG 4.48Å; I271-W275 VanDerWaalsContact C-CD1 3.49Å; I271-W275 PolarHBondContact O-NE1 3.08Å; S273-W275 PolarHBondContact O-N 3.37Å; W275-F278 HydrophobicContact CE3-CD2 4.09Å; W275-F278 HydrophobicContact CZ3-CD2 4.18Å; W275-F278 HydrophobicContact CZ3-CE2 4.48Å; W275-M281 HydrophobicContact CD2-CE 4.34Å; W275-M281 HydrophobicContact CE3-CE 3.58Å; W275-M281 HydrophobicContact CZ3-CE 3.92Å; W275-F285 HydrophobicContact CH2-CD2 4.31Å; W275-F285 AromaticContact CH2-CE2 3.85Å; W275-F285 HydrophobicContact CH2-CE2 3.85Å; W275-F285 HydrophobicContact CZ3-CD2 4.26Å; W275-F285 HydrophobicContact CZ3-CE2 4.1Å; W275-K306 PolarHBondContact O-NZ 3.36Å
276N97.7Very high97.6Very high127 Ų12733.1 Ų33.168%0.67920%0.197SC*.G310 helixtrans-74.9-14.2168.5-65-26.3000112.2S273 V274S273-N276 WeakPolarHBondContact O-CB 3.44Å; S273-N276 PolarHBondContact O-N 3.27Å; S273-N276 VanDerWaalsContact O-N 3.14Å; S273-N276 PolarHBondContact O-ND2 3.34Å; V274-N276 PolarHBondContact O-N 3.12Å
277S98.1Very high97.5Very high17 Ų1736.8 Ų36.812%0.11922%0.216CC..G310 helixtrans-109.530.8176.8-520000111.2S226 V274 D279 L280 M281S226-S277 WeakPolarHBondContact CB-OG 3.36Å; V274-S277 PolarHBondContact O-N 3.39Å; S277-D279 PolarHBondContact O-N 3.11Å; S277-L280 PolarHBondContact O-N 3.32Å; S277-L280 VanDerWaalsContact O-N 3.12Å; S277-M281 PolarHBondContact O-N 3.1Å
278F98.3Very high97.3Very high6 Ų635.7 Ų35.73%0.02621%0.209CC..Hα-helixtrans-58.1-36.5-176.3-177.2-112.9000112.4W275 L280 M281 Q282 F285 L304 F338 C339W275-F278 HydrophobicContact CE3-CD2 4.09Å; W275-F278 HydrophobicContact CZ3-CD2 4.18Å; W275-F278 HydrophobicContact CZ3-CE2 4.48Å; F278-L280 PolarHBondContact O-N 3.27Å; F278-M281 HydrophobicContact CB-CE 4.49Å; F278-M281 HydrophobicContact CD2-CE 4.45Å; F278-M281 CarbonylContact O-C 3.48Å; F278-M281 WeakPolarHBondContact O-CA 3.4Å; F278-M281 PolarHBondContact O-N 3.34Å; F278-Q282 HydrophobicContact CD1-CB 4.3Å; F278-Q282 HydrophobicContact CE1-CB 3.98Å; F278-Q282 HydrophobicContact CE1-CG 3.89Å; F278-Q282 HydrophobicContact CE2-CB 4.45Å; F278-Q282 HydrophobicContact CZ-CB 4.06Å; F278-Q282 HydrophobicContact CZ-CG 3.97Å; F278-Q282 WeakPolarHBondContact O-CB 3.38Å; F278-Q282 PolarHBondContact O-N 3.04Å; F278-F285 HydrophobicContact CE2-CB 4.33Å; F278-F285 HydrophobicContact CE2-CD1 4.19Å; F278-F285 HydrophobicContact CE2-CG 4.16Å; F278-F285 HydrophobicContact CZ-CD1 4.48Å; F278-L304 HydrophobicContact CE1-CD1 4.42Å; F278-L304 HydrophobicContact CE2-CD1 3.96Å; F278-L304 HydrophobicContact CZ-CD1 3.66Å; F278-F338 HydrophobicContact CB-CE1 3.9Å; F278-F338 HydrophobicContact CB-CZ 3.9Å; F278-F338 AromaticContact CD1-CE1 3.59Å; F278-F338 HydrophobicContact CD1-CE1 3.59Å; F278-F338 HydrophobicContact CD1-CZ 4.02Å; F278-F338 HydrophobicContact CD2-CE1 4.48Å; F278-F338 HydrophobicContact CE1-CE1 4.22Å; F278-F338 AromaticContact CG-CE1 3.73Å; F278-F338 HydrophobicContact CG-CE1 3.73Å; F278-F338 HydrophobicContact CG-CZ 4.18Å; F278-C339 HydrophobicContact CE1-CB 4.3Å
279D97.7Very high97.1Very high131 Ų13135.7 Ų35.770%0.70121%0.209SC*.Hα-helixtrans-57.6-34.7178.7-57-16.1000112.5S277S277-D279 PolarHBondContact O-N 3.11Å
280L98.3Very high96.6Very high49 Ų4941.1 Ų41.126%0.25723%0.229SC..Hα-helixtrans-76.2-27.1175.3-61.9175.9000112.6F237 A238 S277 F278F237-L280 HydrophobicContact CB-CB 3.52Å; F237-L280 HydrophobicContact CD1-CB 4.16Å; F237-L280 HydrophobicContact CD1-CD1 4.38Å; F237-L280 HydrophobicContact CD2-CB 4.28Å; F237-L280 HydrophobicContact CD2-CD1 3.79Å; F237-L280 HydrophobicContact CE2-CD1 3.99Å; F237-L280 HydrophobicContact CG-CB 3.74Å; F237-L280 HydrophobicContact CG-CD1 4.01Å; F237-L280 HydrophobicContact CZ-CD1 4.38Å; A238-L280 PolarHBondContact N-O 3.21Å; S277-L280 PolarHBondContact O-N 3.32Å; S277-L280 VanDerWaalsContact O-N 3.12Å; F278-L280 PolarHBondContact O-N 3.27Å
281M98.6Very high95.6Very high0 Ų041 Ų410%023%0.23CC..Hα-helixtrans-91.5-24.1-178.4-62.3-170.7-6800113.2F237 L244 V274 W275 S277 F278 P283 G284 F285F237-M281 HydrophobicContact CB-CG 4.12Å; F237-M281 HydrophobicContact CD1-CG 3.85Å; F237-M281 HydrophobicContact CD1-SD 4.49Å; F237-M281 WeakPolarHBondContact O-CA 3.44Å; F237-M281 WeakPolarHBondContact O-CG 3.36Å; L244-M281 HydrophobicContact CD1-SD 4.18Å; V274-M281 HydrophobicContact CG1-CE 3.96Å; V274-M281 HydrophobicContact CG1-SD 3.58Å; V274-M281 VanDerWaalsContact CG1-SD 3.58Å; V274-M281 VanDerWaalsContact O-CE 3.24Å; V274-M281 WeakPolarHBondContact O-CE 3.48Å; W275-M281 HydrophobicContact CD2-CE 4.34Å; W275-M281 HydrophobicContact CE3-CE 3.58Å; W275-M281 HydrophobicContact CZ3-CE 3.92Å; S277-M281 PolarHBondContact O-N 3.1Å; F278-M281 HydrophobicContact CB-CE 4.49Å; F278-M281 HydrophobicContact CD2-CE 4.45Å; F278-M281 CarbonylContact O-C 3.48Å; F278-M281 WeakPolarHBondContact O-CA 3.4Å; F278-M281 PolarHBondContact O-N 3.34Å; M281-P283 VanDerWaalsContact C-CD 3.48Å; M281-G284 PolarHBondContact O-N 3.11Å; M281-G284 VanDerWaalsContact O-N 3.13Å; M281-F285 WeakPolarHBondContact O-CB 3.12Å; M281-F285 PolarHBondContact O-N 2.99Å
282Q97.7Very high94.6Very high63 Ų6346.7 Ų46.729%0.29425%0.254SS..Hα-helixtrans-55.7-43.7-168.9-178.4-179.26.800113.2F278 G284 F285 I286F278-Q282 HydrophobicContact CD1-CB 4.3Å; F278-Q282 HydrophobicContact CE1-CB 3.98Å; F278-Q282 HydrophobicContact CE1-CG 3.89Å; F278-Q282 HydrophobicContact CE2-CB 4.45Å; F278-Q282 HydrophobicContact CZ-CB 4.06Å; F278-Q282 HydrophobicContact CZ-CG 3.97Å; F278-Q282 WeakPolarHBondContact O-CB 3.38Å; F278-Q282 PolarHBondContact O-N 3.04Å; Q282-G284 VanDerWaalsContact C-N 3.33Å; Q282-G284 PolarHBondContact O-N 3.32Å; Q282-F285 PolarHBondContact O-N 3Å; Q282-I286 HydrophobicContact CG-CD1 3.87Å; Q282-I286 HydrophobicContact CG-CG1 4.36Å; Q282-I286 WeakPolarHBondContact O-CG1 3.49Å; Q282-I286 PolarHBondContact O-N 3.22Å
283P96.4Very high93.5Very high88 Ų8850.4 Ų50.457%0.57127%0.265SS*.Hα-helixtrans-57-47.8177.7-25.335.3000112.1M281 D287M281-P283 VanDerWaalsContact C-CD 3.48Å; P283-D287 WeakPolarHBondContact O-CB 3.44Å; P283-D287 PolarHBondContact O-N 3.26Å; P283-D287 VanDerWaalsContact O-N 3.08Å
284G97.4Very high92.3Very high5 Ų552.1 Ų52.15%0.05227%0.272CS..Hα-helixtrans-70.4-33.7177.500000113.2A238 R242 M281 Q282 D287 G288A238-G284 WeakPolarHBondContact O-CA 3.17Å; R242-G284 WeakPolarHBondContact CA-O 3.09Å; R242-G284 WeakPolarHBondContact CB-O 3.39Å; R242-G284 VanDerWaalsContact N-C 3.31Å; R242-G284 PolarHBondContact N-O 3.48Å; M281-G284 PolarHBondContact O-N 3.11Å; M281-G284 VanDerWaalsContact O-N 3.13Å; Q282-G284 VanDerWaalsContact C-N 3.33Å; Q282-G284 PolarHBondContact O-N 3.32Å; G284-D287 PolarHBondContact O-N 3.34Å; G284-G288 PolarHBondContact O-N 3.3Å
285F97.5Very high91Very high0 Ų053.8 Ų53.80%029%0.291CS..Hα-helixtrans-64.3-45.1176.6-165.3-93.2000111.6L128 G241 L244 A245 V248 W275 F278 M281 Q282 G288 L289 L304 L341L128-F285 HydrophobicContact CD2-CE2 3.93Å; L128-F285 HydrophobicContact CD2-CZ 4.26Å; G241-F285 WeakPolarHBondContact O-CA 3.32Å; G241-F285 WeakPolarHBondContact O-CD2 3.31Å; L244-F285 HydrophobicContact CB-CD2 4.33Å; L244-F285 HydrophobicContact CB-CE2 4.23Å; A245-F285 HydrophobicContact CB-CD1 4.45Å; A245-F285 HydrophobicContact CB-CD2 3.76Å; A245-F285 HydrophobicContact CB-CE2 4Å; A245-F285 HydrophobicContact CB-CG 4.01Å; A245-F285 HydrophobicContact CB-CZ 4.46Å; A245-F285 WeakPolarHBondContact CB-O 3.37Å; V248-F285 HydrophobicContact CG2-CZ 4.26Å; W275-F285 HydrophobicContact CH2-CD2 4.31Å; W275-F285 AromaticContact CH2-CE2 3.85Å; W275-F285 HydrophobicContact CH2-CE2 3.85Å; W275-F285 HydrophobicContact CZ3-CD2 4.26Å; W275-F285 HydrophobicContact CZ3-CE2 4.1Å; F278-F285 HydrophobicContact CE2-CB 4.33Å; F278-F285 HydrophobicContact CE2-CD1 4.19Å; F278-F285 HydrophobicContact CE2-CG 4.16Å; F278-F285 HydrophobicContact CZ-CD1 4.48Å; M281-F285 WeakPolarHBondContact O-CB 3.12Å; M281-F285 PolarHBondContact O-N 2.99Å; Q282-F285 PolarHBondContact O-N 3Å; F285-G288 PolarHBondContact O-N 3.46Å; F285-L289 HydrophobicContact CD1-CD1 3.93Å; F285-L289 HydrophobicContact CD1-CG 4.35Å; F285-L289 HydrophobicContact CE1-CD1 3.71Å; F285-L289 HydrophobicContact CE1-CG 4.2Å; F285-L289 WeakPolarHBondContact O-CG 3.5Å; F285-L289 PolarHBondContact O-N 3.49Å; F285-L304 HydrophobicContact CE1-CD1 4.04Å; F285-L304 HydrophobicContact CE1-CD2 4.17Å; F285-L304 HydrophobicContact CZ-CD2 4.31Å; F285-L341 HydrophobicContact CD1-CD1 4.1Å; F285-L341 HydrophobicContact CE1-CD1 4.16Å
286I95.1Very high89.8Confident38 Ų3861.1 Ų61.120%0.19533%0.325CS..Hα-helixtrans-62.6-45.4174.5-68171.3000110.5Q282 G288 L289 R290 L341 M343Q282-I286 HydrophobicContact CG-CD1 3.87Å; Q282-I286 HydrophobicContact CG-CG1 4.36Å; Q282-I286 WeakPolarHBondContact O-CG1 3.49Å; Q282-I286 PolarHBondContact O-N 3.22Å; I286-G288 PolarHBondContact O-N 3.48Å; I286-L289 PolarHBondContact O-N 3.01Å; I286-R290 WeakPolarHBondContact O-CG 3.42Å; I286-R290 PolarHBondContact O-N 3.34Å; I286-R290 VanDerWaalsContact O-N 3.11Å; I286-L341 HydrophobicContact CD1-CD2 4.42Å; I286-L341 HydrophobicContact CG1-CD2 4.48Å; I286-M343 HydrophobicContact CG2-CE 4.32Å; I286-M343 HydrophobicContact CG2-SD 4.18Å
287D93.2Very high88.9Confident79 Ų7956.5 Ų56.542%0.42230%0.302SS..Hα-helixtrans-60.2-44.2177.2174.748.8000112.2R242 P283 G284 L289 R290 A291R242-D287 IonicContact CZ-OD2 2.68Å; R242-D287 IonicContact NE-OD2 3.88Å; R242-D287 IonicContact NH1-OD1 2.73Å; R242-D287 PolarHBondContact NH1-OD1 2.93Å; R242-D287 IonicContact NH1-OD2 2.78Å; R242-D287 PolarHBondContact NH1-OD2 3.43Å; P283-D287 WeakPolarHBondContact O-CB 3.44Å; P283-D287 PolarHBondContact O-N 3.26Å; P283-D287 VanDerWaalsContact O-N 3.08Å; G284-D287 PolarHBondContact O-N 3.34Å; D287-L289 VanDerWaalsContact C-N 3.35Å; D287-L289 PolarHBondContact O-N 3.15Å; D287-R290 CarbonylContact O-C 3.2Å; D287-R290 PolarHBondContact O-N 3.19Å; D287-R290 VanDerWaalsContact O-N 3.16Å; D287-A291 WeakPolarHBondContact O-CB 3.24Å; D287-A291 PolarHBondContact O-N 2.87Å
288G94.4Very high88.2Confident0 Ų059.9 Ų59.90%032%0.317CS..Hα-helixtrans-66.4-31.3177.100000114.1G284 F285 I286 R290G284-G288 PolarHBondContact O-N 3.3Å; F285-G288 PolarHBondContact O-N 3.46Å; I286-G288 PolarHBondContact O-N 3.48Å; G288-R290 VanDerWaalsContact C-N 3.34Å
289L93.2Very high87.7Confident0 Ų060.1 Ų60.10%032%0.318CS..Hα-helixtrans-70.1-33173-73.3177.7000111.9A245 V248 F285 I286 D287 S297 I299 V302 L341 M343A245-L289 HydrophobicContact CB-CD2 4.14Å; A245-L289 HydrophobicContact CB-CG 3.9Å; V248-L289 HydrophobicContact CB-CD2 4.19Å; V248-L289 HydrophobicContact CG1-CD2 4.11Å; F285-L289 HydrophobicContact CD1-CD1 3.93Å; F285-L289 HydrophobicContact CD1-CG 4.35Å; F285-L289 HydrophobicContact CE1-CD1 3.71Å; F285-L289 HydrophobicContact CE1-CG 4.2Å; F285-L289 WeakPolarHBondContact O-CG 3.5Å; F285-L289 PolarHBondContact O-N 3.49Å; I286-L289 PolarHBondContact O-N 3.01Å; D287-L289 VanDerWaalsContact C-N 3.35Å; D287-L289 PolarHBondContact O-N 3.15Å; L289-S297 WeakPolarHBondContact O-CB 3.45Å; L289-S297 PolarHBondContact O-OG 3.3Å; L289-I299 HydrophobicContact CD2-CD1 4.08Å; L289-V302 HydrophobicContact CD1-CG2 4.18Å; L289-L341 HydrophobicContact CD1-CD1 4.21Å; L289-M343 HydrophobicContact CB-SD 4.19Å; L289-M343 HydrophobicContact CD1-SD 4.45Å
290R88.4Confident87.4Confident113 Ų11358.5 Ų58.543%0.42631%0.305SS..Hα-helixtrans-89.2-11.6-179.5-69.9178.5179.2-178.1-3.5114.5I286 D287 G288 K292 M343I286-R290 WeakPolarHBondContact O-CG 3.42Å; I286-R290 PolarHBondContact O-N 3.34Å; I286-R290 VanDerWaalsContact O-N 3.11Å; D287-R290 CarbonylContact O-C 3.2Å; D287-R290 PolarHBondContact O-N 3.19Å; D287-R290 VanDerWaalsContact O-N 3.16Å; G288-R290 VanDerWaalsContact C-N 3.34Å; R290-K292 WeakPolarHBondContact O-CG 3.36Å; R290-K292 PolarHBondContact O-N 3.11Å; R290-M343 HydrophobicContact CG-CG 4.48Å; R290-M343 HydrophobicContact CG-SD 3.73Å
291A78.9Confident87.2Confident6 Ų657 Ų575%0.0530%0.297CS..  trans-53.1127.3-168.200000110.8R249 D287 D293R249-A291 VanDerWaalsContact NH1-C 3.35Å; R249-A291 PolarHBondContact NH1-O 3.42Å; D287-A291 WeakPolarHBondContact O-CB 3.24Å; D287-A291 PolarHBondContact O-N 2.87Å; A291-D293 VanDerWaalsContact CB-OD1 3.24Å; A291-D293 WeakPolarHBondContact CB-OD1 3.36Å
292K75.3Confident87.1Confident145 Ų14557 Ų5763%0.6330%0.297SS*.  trans-99.7-8.3-176.4-60.2-173.2179.4-174.70112.7R290 V294 G295R290-K292 WeakPolarHBondContact O-CG 3.36Å; R290-K292 PolarHBondContact O-N 3.11Å; K292-V294 PolarHBondContact O-N 2.67Å; K292-G295 PolarHBondContact O-N 3.41Å
293D74.1Confident87.1Confident112 Ų11255.1 Ų55.160%0.59929%0.289SS*.THydrogen-bonded Turntrans-63.5-17.5-17857.8-24.3000114.4R242 R249 A291R242-D293 IonicContact NH2-OD1 2.71Å; R242-D293 IonicContact NH2-OD2 3.79Å; R242-D293 PolarHBondContact NH2-OD2 3.33Å; R249-D293 IonicContact NH1-OD1 2.79Å; A291-D293 VanDerWaalsContact CB-OD1 3.24Å; A291-D293 WeakPolarHBondContact CB-OD1 3.36Å
294V71.3Confident87.2Confident110 Ų11051 Ų5167%0.66726%0.262SS*.THydrogen-bonded Turntrans-124.812.7-177.6-135.50000112.7K292K292-V294 PolarHBondContact O-N 2.67Å
295G70.2Confident87.2Confident40 Ų4051.9 Ų51.941%0.41226%0.264SS..SBendtrans115.6157.2-174.500000113K292 S297K292-G295 PolarHBondContact O-N 3.41Å; G295-S297 PolarHBondContact O-N 2.99Å
296E73.5Confident87.3Confident154 Ų15453.5 Ų53.572%0.7227%0.271SS*.  trans-66.2119.3177.9-73-172.916800111.4Q298E296-Q298 PolarHBondContact O-N 3.46Å; E296-Q298 PolarHBondContact O-NE2 3.5Å
297S79.8Confident87.4Confident30 Ų3053.1 Ų53.121%0.2127%0.27CS..  trans-65.7125.4173.2-172.40000110.3L289 G295 I299L289-S297 WeakPolarHBondContact O-CB 3.45Å; L289-S297 PolarHBondContact O-OG 3.3Å; G295-S297 PolarHBondContact O-N 2.99Å; S297-I299 PolarHBondContact O-N 3.07Å; S297-I299 PolarHBondContact OG-N 3.32Å
298Q82.5Confident87.6Confident89 Ų8952.9 Ų52.942%0.41627%0.271SS..  trans-84.72174.3-58.4-55-50.600112.6V257 E296 K300V257-Q298 HydrophobicContact CG2-CB 3.82Å; E296-Q298 PolarHBondContact O-N 3.46Å; E296-Q298 PolarHBondContact O-NE2 3.5Å; Q298-K300 PolarHBondContact O-N 3.09Å
299I89Confident87.8Confident11 Ų1155.5 Ų55.56%0.05629%0.287CS..  trans-78.6110.9-179.3-57.7175.7000109.4V248 R249 A252 L266 L289 S297 V302V248-I299 HydrophobicContact CG1-CD1 4.27Å; R249-I299 HydrophobicContact CB-CD1 4.38Å; A252-I299 HydrophobicContact CB-CD1 3.72Å; A252-I299 HydrophobicContact CB-CG1 4.01Å; L266-I299 HydrophobicContact CD2-CD1 4.02Å; L266-I299 HydrophobicContact CD2-CG1 4.27Å; L266-I299 HydrophobicContact CD2-CG2 4.3Å; L289-I299 HydrophobicContact CD2-CD1 4.08Å; S297-I299 PolarHBondContact O-N 3.07Å; S297-I299 PolarHBondContact OG-N 3.32Å; I299-V302 HydrophobicContact CG2-CG2 3.17Å
300K90.1Very high88Confident97 Ų9756 Ų5642%0.42229%0.291SS..  trans-97.7-44.1176.2-62.6-175.7179.4-179.70113Q298 M343Q298-K300 PolarHBondContact O-N 3.09Å; K300-M343 PolarHBondContact O-N 2.75Å
301N94.1Very high88.4Confident18 Ų1851.3 Ų51.310%0.09628%0.275CS..EExtended strand (participates in β ladder)trans-128.4133.2-176.7-62-62.5000109.8S262 R265 L266 L341S262-N301 PolarHBondContact O-ND2 2.99Å; R265-N301 HydrophobicContact CB-CB 4.19Å; R265-N301 HydrophobicContact CG-CB 3.92Å; R265-N301 PolarHBondContact NH1-OD1 3.48Å; L266-N301 WeakPolarHBondContact CB-O 3.46Å; L266-N301 PolarHBondContact N-O 3.47Å; N301-L341 WeakPolarHBondContact CA-O 3.42Å
302V96.1Very high89.3Confident0 Ų051 Ų510%027%0.272CS..EExtended strand (participates in β ladder)trans-131129.7177.1-171.90000109.2L266 V268 L289 I299 L304 L341L266-V302 HydrophobicContact CB-CG2 4.43Å; L266-V302 WeakPolarHBondContact O-CA 3.12Å; V268-V302 HydrophobicContact CB-CG1 4.38Å; V268-V302 HydrophobicContact CG2-CG1 3.69Å; L289-V302 HydrophobicContact CD1-CG2 4.18Å; I299-V302 HydrophobicContact CG2-CG2 3.17Å; V302-L304 HydrophobicContact CG1-CD2 3.58Å; V302-L304 HydrophobicContact CG1-CG 4.4Å; V302-L341 HydrophobicContact CB-CB 4.4Å; V302-L341 PolarHBondContact N-O 3.4Å; V302-L341 PolarHBondContact O-N 3.15Å
303D97.9Very high90.4Very high23 Ų2344.3 Ų44.312%0.12324%0.244CC..EExtended strand (participates in β ladder)trans-106.4113.4169.1-74.4-23.4000109.3R265 L266 V268 F305 L337R265-D303 WeakPolarHBondContact CB-OD2 3.33Å; R265-D303 WeakPolarHBondContact CD-OD2 3.43Å; R265-D303 IonicContact CZ-OD1 3.34Å; R265-D303 IonicContact CZ-OD2 3.25Å; R265-D303 IonicContact NE-OD1 3.6Å; R265-D303 PolarHBondContact NE-OD1 3.03Å; R265-D303 IonicContact NE-OD2 2.63Å; R265-D303 PolarHBondContact NE-OD2 2.91Å; R265-D303 IonicContact NH2-OD1 3.76Å; R265-D303 PolarHBondContact NH2-OD1 3.34Å; L266-D303 PolarHBondContact O-N 3.24Å; V268-D303 PolarHBondContact N-O 2.86Å; D303-F305 HydrophobicContact CB-CD2 4.27Å; D303-F305 HydrophobicContact CB-CE2 3.42Å; D303-F305 VanDerWaalsContact CB-CE2 3.42Å; D303-F305 HydrophobicContact CB-CZ 3.7Å; D303-F305 VanDerWaalsContact O-CD2 3.32Å; D303-F305 WeakPolarHBondContact O-CD2 3.43Å; D303-F305 WeakPolarHBondContact O-CE2 3.3Å; D303-L337 HydrophobicContact CB-CD1 3.75Å
304L98.6Very high91.6Very high0 Ų039 Ų390%022%0.215CC..EExtended strand (participates in β ladder)trans-88.1122.8175-53.5-174.6000108.7V268 L270 F278 F285 V302 F338 C339 L341V268-L304 HydrophobicContact CB-CD2 3.83Å; V268-L304 HydrophobicContact CG1-CD2 4.19Å; V268-L304 HydrophobicContact CG2-CD2 4.37Å; V268-L304 CarbonylContact O-C 3.56Å; V268-L304 WeakPolarHBondContact O-CA 3.34Å; L270-L304 HydrophobicContact CD1-CB 4.01Å; L270-L304 HydrophobicContact CD1-CD1 4.26Å; L270-L304 HydrophobicContact CD2-CD2 4.33Å; L270-L304 HydrophobicContact CG-CB 4.3Å; F278-L304 HydrophobicContact CE1-CD1 4.42Å; F278-L304 HydrophobicContact CE2-CD1 3.96Å; F278-L304 HydrophobicContact CZ-CD1 3.66Å; F285-L304 HydrophobicContact CE1-CD1 4.04Å; F285-L304 HydrophobicContact CE1-CD2 4.17Å; F285-L304 HydrophobicContact CZ-CD2 4.31Å; V302-L304 HydrophobicContact CG1-CD2 3.58Å; V302-L304 HydrophobicContact CG1-CG 4.4Å; L304-F338 HydrophobicContact CB-CD1 4.42Å; L304-F338 WeakPolarHBondContact O-CA 3.44Å; L304-F338 WeakPolarHBondContact O-CB 3.44Å; L304-F338 PolarHBondContact O-N 3.12Å; L304-C339 HydrophobicContact CB-CB 4.22Å; L304-C339 WeakPolarHBondContact CB-O 3.37Å; L304-C339 HydrophobicContact CD1-CB 4.17Å; L304-C339 HydrophobicContact CG-CB 4.47Å; L304-C339 PolarHBondContact N-O 2.95Å; L304-C339 PolarHBondContact O-N 3.4Å; L304-C339 VanDerWaalsContact O-N 3.15Å; L304-L341 HydrophobicContact CD1-CD1 3.93Å; L304-L341 HydrophobicContact CG-CD1 4.43Å
305F98.7Very high92.8Very high24 Ų2433.8 Ų33.811%0.10518%0.183CC..EExtended strand (participates in β ladder)trans-110.9151.9178.9-64.3-85.8000111.2F121 P267 V268 L269 L270 D303 R335 K336 L337F121-F305 HydrophobicContact CE1-CD2 4.27Å; F121-F305 HydrophobicContact CE1-CE2 4.5Å; F121-F305 HydrophobicContact CZ-CD2 4.27Å; P267-F305 HydrophobicContact CB-CD2 4.46Å; P267-F305 HydrophobicContact CB-CE2 3.97Å; V268-F305 PolarHBondContact O-N 3.3Å; L269-F305 HydrophobicContact CD1-CB 3.94Å; L270-F305 PolarHBondContact N-O 2.9Å; D303-F305 HydrophobicContact CB-CD2 4.27Å; D303-F305 HydrophobicContact CB-CE2 3.42Å; D303-F305 VanDerWaalsContact CB-CE2 3.42Å; D303-F305 HydrophobicContact CB-CZ 3.7Å; D303-F305 VanDerWaalsContact O-CD2 3.32Å; D303-F305 WeakPolarHBondContact O-CD2 3.43Å; D303-F305 WeakPolarHBondContact O-CE2 3.3Å; F305-R335 HydrophobicContact CD1-CG 4.15Å; F305-K336 VanDerWaalsContact CA-O 3.31Å; F305-K336 WeakPolarHBondContact CA-O 3.45Å; F305-L337 HydrophobicContact CD1-CB 4.42Å; F305-L337 HydrophobicContact CD1-CD1 4.48Å; F305-L337 HydrophobicContact CE1-CB 4.17Å; F305-L337 HydrophobicContact CE1-CD1 4.05Å; F305-L337 HydrophobicContact CZ-CD1 4.18Å
306K98.4Very high94.2Very high34 Ų3431.9 Ų31.915%0.14816%0.164CC..EExtended strand (participates in β ladder)trans-120.9145.5163.2-73.7-176.3177.1-179.80109L270 W275 R335 K336 F338L270-K306 HydrophobicContact CB-CG 4.38Å; W275-K306 PolarHBondContact O-NZ 3.36Å; K306-R335 CarbonylContact O-C 3.54Å; K306-R335 VanDerWaalsContact O-CA 3.29Å; K306-R335 WeakPolarHBondContact O-CA 3.44Å; K306-K336 PolarHBondContact N-O 3.38Å; K306-K336 PolarHBondContact O-N 3.33Å; K306-F338 HydrophobicContact CB-CB 4.45Å; K306-F338 HydrophobicContact CD-CB 4.29Å; K306-F338 HydrophobicContact CD-CD1 4.49Å; K306-F338 HydrophobicContact CD-CD2 3.66Å; K306-F338 HydrophobicContact CD-CE2 4.11Å; K306-F338 HydrophobicContact CD-CG 3.88Å; K306-F338 HydrophobicContact CG-CB 3.95Å; K306-F338 HydrophobicContact CG-CD2 4.27Å; K306-F338 HydrophobicContact CG-CG 4.01Å; K306-F338 VanDerWaalsContact NZ-CE2 3.32Å
307L98.4Very high95.3Very high30 Ų3025.7 Ų25.716%0.15714%0.137CC..EExtended strand (participates in β ladder)trans-67.9148.2171.5-65.7179.8000111T119 A120 L269 I271 V309 P311 C334 R335T119-L307 HydrophobicContact CG2-CD1 4.08Å; T119-L307 HydrophobicContact CG2-CD2 3.76Å; A120-L307 HydrophobicContact CB-CD2 3.85Å; L269-L307 HydrophobicContact CD1-CD2 3.83Å; L269-L307 HydrophobicContact CD1-CG 3.91Å; L269-L307 HydrophobicContact CD2-CD1 4.41Å; L269-L307 HydrophobicContact CD2-CD2 3.97Å; L269-L307 HydrophobicContact CD2-CG 4.06Å; L269-L307 HydrophobicContact CG-CG 4.43Å; I271-L307 HydrophobicContact CD1-CD1 3.76Å; I271-L307 HydrophobicContact CD1-CG 4.04Å; L307-V309 VanDerWaalsContact CB-O 3.26Å; L307-V309 WeakPolarHBondContact CB-O 3.2Å; L307-P311 HydrophobicContact CD1-CB 4.04Å; L307-P311 HydrophobicContact CD1-CG 3.62Å; L307-C334 WeakPolarHBondContact CA-O 3.49Å; L307-C334 WeakPolarHBondContact CD2-O 3.38Å; L307-R335 HydrophobicContact CD2-CB 4.42Å
308T97.6Very high96.1Very high74 Ų7425.6 Ų25.645%0.45414%0.136SC..SBendtrans-101.6-9.9169.752.90000112.1K333 C334 R335 K336T308-K333 PolarHBondContact OG1-O 2.74Å; T308-C334 PolarHBondContact N-O 3.44Å; T308-C334 WeakPolarHBondContact OG1-CA 3.48Å; T308-C334 PolarHBondContact OG1-O 3.4Å; T308-C334 VanDerWaalsContact OG1-O 3.11Å; T308-R335 PolarHBondContact OG1-N 3.45Å; T308-K336 HydrophobicContact CG2-CB 4.06Å; T308-K336 HydrophobicContact CG2-CD 4.06Å; T308-K336 HydrophobicContact CG2-CG 3.98Å
309V97.5Very high96.8Very high56 Ų5621.4 Ų21.434%0.33912%0.116SC..SBendtrans-128170.5176.9-59.10000110.3T119 L307 V313 C334T119-V309 HydrophobicContact CG2-CG2 3.66Å; L307-V309 VanDerWaalsContact CB-O 3.26Å; L307-V309 WeakPolarHBondContact CB-O 3.2Å; V309-V313 HydrophobicContact CB-CG2 4.23Å; V309-V313 HydrophobicContact CG2-CB 4.28Å; V309-V313 HydrophobicContact CG2-CG2 4.08Å; V309-C334 HydrophobicContact CG2-CB 3.7Å
310S97.2Very high97.2Very high11 Ų1120.9 Ų20.98%0.07711%0.114CC..  trans-65139.8174.9179.10000112.2T21 A312 V313T21-S310 VanDerWaalsContact CG2-OG 3.25Å; T21-S310 WeakPolarHBondContact CG2-OG 3.49Å; S310-A312 PolarHBondContact O-N 2.82Å; S310-A312 VanDerWaalsContact OG-CB 3.27Å; S310-A312 WeakPolarHBondContact OG-CB 3.41Å; S310-A312 PolarHBondContact OG-N 3.45Å; S310-V313 WeakPolarHBondContact O-CB 3.23Å; S310-V313 WeakPolarHBondContact O-CG2 3.49Å; S310-V313 PolarHBondContact O-N 3.11Å
311P97.7Very high97.5Very high14 Ų1424.3 Ų24.39%0.09113%0.128CC..THydrogen-bonded Turntrans-55.5-21168.7-19.728.2000113.9D14 A116 T119 I271 L307 V313 G314 A315D14-P311 HydrophobicContact CB-CB 4.1Å; D14-P311 HydrophobicContact CB-CG 4.44Å; D14-P311 WeakPolarHBondContact OD2-CG 3.45Å; A116-P311 HydrophobicContact CB-CB 4.16Å; T119-P311 WeakPolarHBondContact OG1-CA 3.3Å; T119-P311 PolarHBondContact OG1-O 2.92Å; T119-P311 VanDerWaalsContact OG1-O 3.04Å; I271-P311 HydrophobicContact CD1-CG 4.32Å; L307-P311 HydrophobicContact CD1-CB 4.04Å; L307-P311 HydrophobicContact CD1-CG 3.62Å; P311-V313 PolarHBondContact O-N 3.25Å; P311-G314 PolarHBondContact O-N 3.23Å; P311-G314 VanDerWaalsContact O-N 3.15Å; P311-A315 PolarHBondContact O-N 3.21Å
312A98.2Very high97.5Very high0 Ų027.9 Ų27.90%015%0.151CC..Hα-helixtrans-59-2617500000112.6G12 D14 V23 S310 G314 A315 C316G12-A312 WeakPolarHBondContact CA-O 3.37Å; D14-A312 HydrophobicContact CB-CB 4.11Å; V23-A312 HydrophobicContact CB-CB 3.99Å; V23-A312 HydrophobicContact CG2-CB 3.83Å; S310-A312 PolarHBondContact O-N 2.82Å; S310-A312 VanDerWaalsContact OG-CB 3.27Å; S310-A312 WeakPolarHBondContact OG-CB 3.41Å; S310-A312 PolarHBondContact OG-N 3.45Å; A312-G314 PolarHBondContact O-N 3.45Å; A312-A315 WeakPolarHBondContact O-CA 3.39Å; A312-A315 WeakPolarHBondContact O-CB 3.35Å; A312-A315 PolarHBondContact O-N 2.97Å; A312-A315 VanDerWaalsContact O-N 3.11Å; A312-C316 PolarHBondContact O-N 3.38Å
313V98.3Very high97.2Very high4 Ų428.7 Ų28.72%0.02416%0.159CC..Hα-helixtrans-59.3-46.3174.4170.30000111V23 M25 V31 T119 V309 S310 P311 A315 C316 V317 L329V23-V313 HydrophobicContact CG1-CG2 4.26Å; M25-V313 HydrophobicContact CE-CG1 4.02Å; M25-V313 HydrophobicContact SD-CB 4.22Å; M25-V313 HydrophobicContact SD-CG1 3.87Å; M25-V313 HydrophobicContact SD-CG2 4.22Å; V31-V313 HydrophobicContact CG2-CG2 4.2Å; T119-V313 HydrophobicContact CG2-CB 4.22Å; T119-V313 HydrophobicContact CG2-CG1 4.47Å; V309-V313 HydrophobicContact CB-CG2 4.23Å; V309-V313 HydrophobicContact CG2-CB 4.28Å; V309-V313 HydrophobicContact CG2-CG2 4.08Å; S310-V313 WeakPolarHBondContact O-CB 3.23Å; S310-V313 WeakPolarHBondContact O-CG2 3.49Å; S310-V313 PolarHBondContact O-N 3.11Å; P311-V313 PolarHBondContact O-N 3.25Å; V313-A315 VanDerWaalsContact C-N 3.27Å; V313-A315 PolarHBondContact O-N 3.37Å; V313-C316 VanDerWaalsContact O-CB 3.28Å; V313-C316 WeakPolarHBondContact O-CB 3.31Å; V313-C316 PolarHBondContact O-N 3.02Å; V313-V317 PolarHBondContact O-N 2.78Å; V313-L329 HydrophobicContact CG1-CD1 3.67Å; V313-L329 HydrophobicContact CG1-CD2 3.71Å; V313-L329 HydrophobicContact CG1-CG 4.37Å
314G97.8Very high97.1Very high0 Ų031 Ų310%019%0.189CC..Hα-helixtrans-66.7-28.9175.300000113G115 T119 P311 A312 V317 S318G115-G314 WeakPolarHBondContact O-CA 3.42Å; T119-G314 WeakPolarHBondContact OG1-CA 3.07Å; T119-G314 PolarHBondContact OG1-N 3.45Å; P311-G314 PolarHBondContact O-N 3.23Å; P311-G314 VanDerWaalsContact O-N 3.15Å; A312-G314 PolarHBondContact O-N 3.45Å; G314-V317 PolarHBondContact O-N 3.36Å; G314-S318 WeakPolarHBondContact O-CB 3.36Å; G314-S318 PolarHBondContact O-N 3.22Å; G314-S318 PolarHBondContact O-OG 3.14Å
315A98Very high97Very high0 Ų035.2 Ų35.20%021%0.205CC..Hα-helixtrans-65.7-38.417200000111.9A79 P311 A312 V313 A319A79-A315 HydrophobicContact CB-CB 3.92Å; P311-A315 PolarHBondContact O-N 3.21Å; A312-A315 WeakPolarHBondContact O-CA 3.39Å; A312-A315 WeakPolarHBondContact O-CB 3.35Å; A312-A315 PolarHBondContact O-N 2.97Å; A312-A315 VanDerWaalsContact O-N 3.11Å; V313-A315 VanDerWaalsContact C-N 3.27Å; V313-A315 PolarHBondContact O-N 3.37Å; A315-A319 WeakPolarHBondContact O-CB 3.32Å; A315-A319 PolarHBondContact O-N 3.16Å; A315-A319 VanDerWaalsContact O-N 3.07Å
316C98.4Very high96.9Very high0 Ų043.3 Ų43.30%024%0.236CC..Hα-helixtrans-57-51.6170.3-62.70000110.8F10 A11 G12 M25 A312 V313 S318 A319 A320F10-C316 HydrophobicContact CB-CB 4.29Å; A11-C316 VanDerWaalsContact C-SG 3.52Å; G12-C316 WeakPolarHBondContact CA-SG 3.42Å; G12-C316 PolarHBondContact N-SG 3.45Å; M25-C316 HydrophobicContact SD-CB 3.58Å; M25-C316 VanDerWaalsContact SD-CB 3.58Å; A312-C316 PolarHBondContact O-N 3.38Å; V313-C316 VanDerWaalsContact O-CB 3.28Å; V313-C316 WeakPolarHBondContact O-CB 3.31Å; V313-C316 PolarHBondContact O-N 3.02Å; C316-S318 PolarHBondContact O-N 2.83Å; C316-A319 PolarHBondContact O-N 3.29Å; C316-A320 VanDerWaalsContact O-CB 3.26Å; C316-A320 WeakPolarHBondContact O-CB 3.47Å; C316-A320 PolarHBondContact O-N 3.3Å
317V97.7Very high96.7Very high25 Ų2542 Ų4215%0.15223%0.231CC..Hα-helixtrans-60.5-45.9-177.91760000111.6V313 G314 A319 A320 K321 I327 L329V313-V317 PolarHBondContact O-N 2.78Å; G314-V317 PolarHBondContact O-N 3.36Å; V317-A319 PolarHBondContact O-N 3.12Å; V317-A320 PolarHBondContact O-N 2.94Å; V317-K321 PolarHBondContact O-N 3.06Å; V317-I327 HydrophobicContact CG2-CB 4.26Å; V317-I327 HydrophobicContact CG2-CG2 4.34Å; V317-L329 HydrophobicContact CG2-CB 4.12Å; V317-L329 HydrophobicContact CG2-CD2 3.85Å
318S96.4Very high96.5Very high28 Ų2843.6 Ų43.620%0.19624%0.243CC..Hα-helixtrans-63.6-42.2-179.8-73.40000112.5S118 G314 C316 V322S118-S318 WeakPolarHBondContact CB-OG 3.31Å; S118-S318 PolarHBondContact OG-OG 2.87Å; G314-S318 WeakPolarHBondContact O-CB 3.36Å; G314-S318 PolarHBondContact O-N 3.22Å; G314-S318 PolarHBondContact O-OG 3.14Å; C316-S318 PolarHBondContact O-N 2.83Å; S318-V322 PolarHBondContact O-N 3.27Å
319A97.1Very high96.4Very high0 Ų041.5 Ų41.50%023%0.229CC..Hα-helixtrans-71.4-37.3177.200000112.7S75 G77 V108 A315 C316 V317 K321 V322 G323S75-A319 VanDerWaalsContact OG-C 3.26Å; S75-A319 WeakPolarHBondContact OG-CB 3.25Å; G77-A319 VanDerWaalsContact CA-CB 3.45Å; V108-A319 HydrophobicContact CB-CB 4.3Å; V108-A319 HydrophobicContact CG2-CB 4.21Å; A315-A319 WeakPolarHBondContact O-CB 3.32Å; A315-A319 PolarHBondContact O-N 3.16Å; A315-A319 VanDerWaalsContact O-N 3.07Å; C316-A319 PolarHBondContact O-N 3.29Å; V317-A319 PolarHBondContact O-N 3.12Å; A319-K321 VanDerWaalsContact C-N 3.31Å; A319-K321 PolarHBondContact O-N 3.49Å; A319-V322 PolarHBondContact O-N 2.79Å; A319-G323 PolarHBondContact O-N 2.98Å; A319-G323 VanDerWaalsContact O-N 3.16Å
320A97.5Very high96.2Very high0 Ų044.4 Ų44.40%024%0.239CC..Hα-helixtrans-58.9-44.2175.400000111.2F10 S75 C316 V317 V322 G323 G324 Y325 I327F10-A320 HydrophobicContact CD1-CB 3.53Å; F10-A320 HydrophobicContact CE1-CB 3.54Å; F10-A320 HydrophobicContact CG-CB 4.35Å; F10-A320 HydrophobicContact CZ-CB 4.37Å; S75-A320 PolarHBondContact OG-N 3.02Å; C316-A320 VanDerWaalsContact O-CB 3.26Å; C316-A320 WeakPolarHBondContact O-CB 3.47Å; C316-A320 PolarHBondContact O-N 3.3Å; V317-A320 PolarHBondContact O-N 2.94Å; A320-V322 VanDerWaalsContact C-N 3.31Å; A320-V322 PolarHBondContact O-N 3.25Å; A320-G323 CarbonylContact O-C 3.55Å; A320-G323 WeakPolarHBondContact O-CA 3.3Å; A320-G323 PolarHBondContact O-N 3Å; A320-G324 PolarHBondContact O-N 3.23Å; A320-Y325 CarbonylContact C-O 3.54Å; A320-Y325 PolarHBondContact O-N 3.47Å; A320-I327 HydrophobicContact CB-CD1 3.58Å; A320-I327 HydrophobicContact CB-CG1 3.89Å
321K96.3Very high96.1Very high169 Ų16945.3 Ų45.374%0.73524%0.241SC*.Hα-helixtrans-58.1-40.6177.1-174.2177.3179.9177.90112.6V317 A319 G323 G324 Y325V317-K321 PolarHBondContact O-N 3.06Å; A319-K321 VanDerWaalsContact C-N 3.31Å; A319-K321 PolarHBondContact O-N 3.49Å; K321-G323 VanDerWaalsContact C-N 3.29Å; K321-G323 PolarHBondContact O-N 3.22Å; K321-G324 PolarHBondContact O-N 3.15Å; K321-G324 VanDerWaalsContact O-N 3.08Å; K321-Y325 WeakPolarHBondContact CA-O 3.19Å; K321-Y325 PolarHBondContact N-O 3.03Å
322V93.1Very high96Very high94 Ų9451.7 Ų51.757%0.5727%0.27SS*.Hα-helixtrans-65.7-34.5175.7174.40000111.5V108 S318 A319 A320 G324V108-V322 HydrophobicContact CG2-CB 3.81Å; V108-V322 HydrophobicContact CG2-CG1 3.85Å; V108-V322 HydrophobicContact CG2-CG2 3.88Å; S318-V322 PolarHBondContact O-N 3.27Å; A319-V322 PolarHBondContact O-N 2.79Å; A320-V322 VanDerWaalsContact C-N 3.31Å; A320-V322 PolarHBondContact O-N 3.25Å; V322-G324 PolarHBondContact O-N 2.64Å
323G91.4Very high95.9Very high17 Ų1758.3 Ų58.318%0.17530%0.299CS..THydrogen-bonded Turntrans-75.60.1172.400000114.8A319 A320 K321 Y325A319-G323 PolarHBondContact O-N 2.98Å; A319-G323 VanDerWaalsContact O-N 3.16Å; A320-G323 CarbonylContact O-C 3.55Å; A320-G323 WeakPolarHBondContact O-CA 3.3Å; A320-G323 PolarHBondContact O-N 3Å; K321-G323 VanDerWaalsContact C-N 3.29Å; K321-G323 PolarHBondContact O-N 3.22Å; G323-Y325 VanDerWaalsContact O-CD2 3.24Å; G323-Y325 WeakPolarHBondContact O-CD2 3.49Å; G323-Y325 WeakPolarHBondContact O-CE2 3.12Å
324G95.5Very high95.9Very high72 Ų7258.6 Ų58.674%0.74230%0.301SS*.THydrogen-bonded Turntrans81.216.9-17700000114.7A320 K321 V322A320-G324 PolarHBondContact O-N 3.23Å; K321-G324 PolarHBondContact O-N 3.15Å; K321-G324 VanDerWaalsContact O-N 3.08Å; V322-G324 PolarHBondContact O-N 2.64Å
325Y96.2Very high95.9Very high88 Ų8861 Ų6135%0.34531%0.31SS..  trans-103145.8178.4-65.3-93.8000111.4P8 F10 T74 A320 K321 G323P8-Y325 HydrophobicContact CB-CD1 4.39Å; P8-Y325 HydrophobicContact CB-CE1 4.03Å; P8-Y325 HydrophobicContact CG-CD1 4.41Å; P8-Y325 HydrophobicContact CG-CE1 3.81Å; F10-Y325 HydrophobicContact CE1-CD1 4.32Å; F10-Y325 HydrophobicContact CE1-CD2 4.07Å; F10-Y325 AromaticContact CE1-CG 3.79Å; F10-Y325 HydrophobicContact CE1-CG 3.79Å; F10-Y325 AromaticContact CZ-CD1 3.83Å; F10-Y325 HydrophobicContact CZ-CD1 3.83Å; F10-Y325 HydrophobicContact CZ-CD2 4.4Å; F10-Y325 AromaticContact CZ-CG 3.75Å; F10-Y325 HydrophobicContact CZ-CG 3.75Å; T74-Y325 HydrophobicContact CG2-CD2 3.55Å; T74-Y325 HydrophobicContact CG2-CE1 4.16Å; T74-Y325 HydrophobicContact CG2-CE2 3.13Å; T74-Y325 HydrophobicContact CG2-CG 4.23Å; T74-Y325 VanDerWaalsContact CG2-CZ 3.47Å; A320-Y325 CarbonylContact C-O 3.54Å; A320-Y325 PolarHBondContact O-N 3.47Å; K321-Y325 WeakPolarHBondContact CA-O 3.19Å; K321-Y325 PolarHBondContact N-O 3.03Å; G323-Y325 VanDerWaalsContact O-CD2 3.24Å; G323-Y325 WeakPolarHBondContact O-CD2 3.49Å; G323-Y325 WeakPolarHBondContact O-CE2 3.12Å
326Y95.6Very high95.9Very high193 Ų19366.9 Ų66.976%0.75734%0.336SS*.  trans-110.4124.7170.7175.6-104.3000109.1P328Y326-P328 HydrophobicContact CE1-CB 4Å
327I95.5Very high95.9Very high6 Ų671.4 Ų71.43%0.03136%0.359CS..  trans-105.6121.6173.2-62.1179.1000107.3F10 M25 G29 V317 A320 L329F10-I327 HydrophobicContact CB-CD1 4.24Å; F10-I327 HydrophobicContact CD1-CD1 4.2Å; F10-I327 HydrophobicContact CD2-CD1 3.77Å; F10-I327 HydrophobicContact CD2-CG1 4.42Å; F10-I327 HydrophobicContact CE2-CD1 4.17Å; F10-I327 HydrophobicContact CE2-CG1 4.35Å; F10-I327 HydrophobicContact CG-CD1 3.79Å; M25-I327 HydrophobicContact CE-CG2 3.94Å; G29-I327 VanDerWaalsContact CA-CG2 3.47Å; V317-I327 HydrophobicContact CG2-CB 4.26Å; V317-I327 HydrophobicContact CG2-CG2 4.34Å; A320-I327 HydrophobicContact CB-CD1 3.58Å; A320-I327 HydrophobicContact CB-CG1 3.89Å; I327-L329 VanDerWaalsContact C-N 3.29Å; I327-L329 PolarHBondContact O-N 3.42Å
328P93.5Very high95.9Very high65 Ų6573.7 Ų73.742%0.42237%0.367SS..  trans-76.677.2-178.232.7-34.6000110.9S27 Y326S27-P328 VanDerWaalsContact O-CD 3.3Å; S27-P328 WeakPolarHBondContact O-CD 3.14Å; Y326-P328 HydrophobicContact CE1-CB 4Å
329L94.7Very high95.9Very high29 Ų2973.6 Ų73.615%0.15237%0.366CS..  trans-88.2117.4178.5-172.769.4000111.3V313 V317 I327 K331V313-L329 HydrophobicContact CG1-CD1 3.67Å; V313-L329 HydrophobicContact CG1-CD2 3.71Å; V313-L329 HydrophobicContact CG1-CG 4.37Å; V317-L329 HydrophobicContact CG2-CB 4.12Å; V317-L329 HydrophobicContact CG2-CD2 3.85Å; I327-L329 VanDerWaalsContact C-N 3.29Å; I327-L329 PolarHBondContact O-N 3.42Å; L329-K331 VanDerWaalsContact C-N 3.32Å; L329-K331 HydrophobicContact CD2-CG 4.04Å; L329-K331 HydrophobicContact CG-CG 4.23Å; L329-K331 PolarHBondContact O-N 2.69Å
330E94.8Very high95.9Very high118 Ų11876.3 Ų76.355%0.55139%0.388SS*.  trans-75.479.6170.8-65.5-175.5-93.200110.9E332 K333 C334E330-E332 PolarHBondContact O-N 2.98Å; E330-E332 VanDerWaalsContact O-N 3.09Å; E330-K333 HydrophobicContact CB-CB 4.37Å; E330-K333 HydrophobicContact CB-CD 4.02Å; E330-K333 HydrophobicContact CB-CG 4.2Å; E330-K333 WeakPolarHBondContact O-CB 3.45Å; E330-K333 PolarHBondContact O-N 2.89Å; E330-K333 IonicContact OE1-NZ 3.6Å; E330-K333 PolarHBondContact OE1-NZ 3.22Å; E330-K333 WeakPolarHBondContact OE2-CE 3.43Å; E330-K333 IonicContact OE2-NZ 3.97Å; E330-K333 PolarHBondContact OE2-NZ 3.16Å; E330-C334 PolarHBondContact O-N 3.25Å
331K95.1Very high95.8Very high29 Ų2976.9 Ų76.913%0.12639%0.391CS..THydrogen-bonded Turntrans-57.7-28.5-172-64-171.4-169.7162.60114.8S118 F121 D122 L329 K333 C334S118-K331 WeakPolarHBondContact O-CE 3.47Å; F121-K331 VanDerWaalsContact C-CD 3.49Å; F121-K331 WeakPolarHBondContact O-CD 3.44Å; F121-K331 PolarHBondContact O-NZ 3.47Å; D122-K331 VanDerWaalsContact OD1-CD 3.25Å; D122-K331 WeakPolarHBondContact OD1-CD 3.42Å; D122-K331 WeakPolarHBondContact OD1-CE 3.43Å; D122-K331 IonicContact OD1-NZ 2.73Å; D122-K331 PolarHBondContact OD1-NZ 2.92Å; L329-K331 VanDerWaalsContact C-N 3.32Å; L329-K331 HydrophobicContact CD2-CG 4.04Å; L329-K331 HydrophobicContact CG-CG 4.23Å; L329-K331 PolarHBondContact O-N 2.69Å; K331-K333 VanDerWaalsContact C-N 3.26Å; K331-K333 PolarHBondContact O-N 2.91Å; K331-C334 WeakPolarHBondContact O-CB 3.49Å; K331-C334 PolarHBondContact O-N 3Å; K331-C334 VanDerWaalsContact O-N 3.11Å
332E95.2Very high95.6Very high149 Ų14974.7 Ų74.770%0.69638%0.384SS*.THydrogen-bonded Turntrans-62.9-32.5174.4-64.9-171.2159.900112.6E330 C334E330-E332 PolarHBondContact O-N 2.98Å; E330-E332 VanDerWaalsContact O-N 3.09Å; E332-C334 VanDerWaalsContact C-N 3.33Å
333K96.3Very high95.3Very high138 Ų13871 Ų7160%0.636%0.361SS*.THydrogen-bonded Turntrans-77.8-19.3174.8-64.7-178.4178.2166.40112.8T308 E330 K331 R335T308-K333 PolarHBondContact OG1-O 2.74Å; E330-K333 HydrophobicContact CB-CB 4.37Å; E330-K333 HydrophobicContact CB-CD 4.02Å; E330-K333 HydrophobicContact CB-CG 4.2Å; E330-K333 WeakPolarHBondContact O-CB 3.45Å; E330-K333 PolarHBondContact O-N 2.89Å; E330-K333 IonicContact OE1-NZ 3.6Å; E330-K333 PolarHBondContact OE1-NZ 3.22Å; E330-K333 WeakPolarHBondContact OE2-CE 3.43Å; E330-K333 IonicContact OE2-NZ 3.97Å; E330-K333 PolarHBondContact OE2-NZ 3.16Å; K331-K333 VanDerWaalsContact C-N 3.26Å; K331-K333 PolarHBondContact O-N 2.91Å; K333-R335 VanDerWaalsContact C-N 3.27Å; K333-R335 PolarHBondContact O-N 3.04Å
334C97.8Very high94.6Very high10 Ų1075.6 Ų75.67%0.06838%0.381CS..THydrogen-bonded Turntrans-81-4178.6-60.90000113.7T119 L307 T308 V309 E330 K331 E332T119-C334 HydrophobicContact CG2-CB 4.08Å; T119-C334 WeakPolarHBondContact O-CB 3.42Å; L307-C334 WeakPolarHBondContact CA-O 3.49Å; L307-C334 WeakPolarHBondContact CD2-O 3.38Å; T308-C334 PolarHBondContact N-O 3.44Å; T308-C334 WeakPolarHBondContact OG1-CA 3.48Å; T308-C334 PolarHBondContact OG1-O 3.4Å; T308-C334 VanDerWaalsContact OG1-O 3.11Å; V309-C334 HydrophobicContact CG2-CB 3.7Å; E330-C334 PolarHBondContact O-N 3.25Å; K331-C334 WeakPolarHBondContact O-CB 3.49Å; K331-C334 PolarHBondContact O-N 3Å; K331-C334 VanDerWaalsContact O-N 3.11Å; E332-C334 VanDerWaalsContact C-N 3.33Å
335R97.7Very high92.8Very high52 Ų5281.3 Ų81.320%0.19640%0.395CS..EExtended strand (participates in β ladder)trans-138163.3179.169-175-175.6-166.84.8110.7A120 F305 K306 L307 T308 K333A120-R335 WeakPolarHBondContact O-CD 3.43Å; A120-R335 PolarHBondContact O-NH1 3.44Å; F305-R335 HydrophobicContact CD1-CG 4.15Å; K306-R335 CarbonylContact O-C 3.54Å; K306-R335 VanDerWaalsContact O-CA 3.29Å; K306-R335 WeakPolarHBondContact O-CA 3.44Å; L307-R335 HydrophobicContact CD2-CB 4.42Å; T308-R335 PolarHBondContact OG1-N 3.45Å; K333-R335 VanDerWaalsContact C-N 3.27Å; K333-R335 PolarHBondContact O-N 3.04Å
336K98Very high92.6Very high123 Ų12381 Ų8154%0.53540%0.397SS..EExtended strand (participates in β ladder)trans-134.6144.8169.661.9-179.1179.3-179.10110.1F305 K306 T308 F338F305-K336 VanDerWaalsContact CA-O 3.31Å; F305-K336 WeakPolarHBondContact CA-O 3.45Å; K306-K336 PolarHBondContact N-O 3.38Å; K306-K336 PolarHBondContact O-N 3.33Å; T308-K336 HydrophobicContact CG2-CB 4.06Å; T308-K336 HydrophobicContact CG2-CD 4.06Å; T308-K336 HydrophobicContact CG2-CG 3.98Å; K336-F338 PolarHBondContact O-N 3.13Å
337L98.3Very high92.4Very high95 Ų9575.1 Ų75.150%0.49738%0.378SS..EExtended strand (participates in β ladder)trans-62.2120.2168.9-176.366000107.9D303 F305 A340D303-L337 HydrophobicContact CB-CD1 3.75Å; F305-L337 HydrophobicContact CD1-CB 4.42Å; F305-L337 HydrophobicContact CD1-CD1 4.48Å; F305-L337 HydrophobicContact CE1-CB 4.17Å; F305-L337 HydrophobicContact CE1-CD1 4.05Å; F305-L337 HydrophobicContact CZ-CD1 4.18Å; L337-A340 HydrophobicContact CD2-CB 4.3Å
338F97.6Very high92.3Very high73 Ų7378.9 Ų78.932%0.3240%0.397SS..EExtended strand (participates in β ladder)trans-95.2-44.2179.2172.2-109.7000110.9L270 F278 L304 K306 K336L270-F338 HydrophobicContact CD1-CD1 3.72Å; L270-F338 HydrophobicContact CD1-CE1 4.08Å; F278-F338 HydrophobicContact CB-CE1 3.9Å; F278-F338 HydrophobicContact CB-CZ 3.9Å; F278-F338 AromaticContact CD1-CE1 3.59Å; F278-F338 HydrophobicContact CD1-CE1 3.59Å; F278-F338 HydrophobicContact CD1-CZ 4.02Å; F278-F338 HydrophobicContact CD2-CE1 4.48Å; F278-F338 HydrophobicContact CE1-CE1 4.22Å; F278-F338 AromaticContact CG-CE1 3.73Å; F278-F338 HydrophobicContact CG-CE1 3.73Å; F278-F338 HydrophobicContact CG-CZ 4.18Å; L304-F338 HydrophobicContact CB-CD1 4.42Å; L304-F338 WeakPolarHBondContact O-CA 3.44Å; L304-F338 WeakPolarHBondContact O-CB 3.44Å; L304-F338 PolarHBondContact O-N 3.12Å; K306-F338 HydrophobicContact CB-CB 4.45Å; K306-F338 HydrophobicContact CD-CB 4.29Å; K306-F338 HydrophobicContact CD-CD1 4.49Å; K306-F338 HydrophobicContact CD-CD2 3.66Å; K306-F338 HydrophobicContact CD-CE2 4.11Å; K306-F338 HydrophobicContact CD-CG 3.88Å; K306-F338 HydrophobicContact CG-CB 3.95Å; K306-F338 HydrophobicContact CG-CD2 4.27Å; K306-F338 HydrophobicContact CG-CG 4.01Å; K306-F338 VanDerWaalsContact NZ-CE2 3.32Å; K336-F338 PolarHBondContact O-N 3.13Å
339C97.4Very high92.2Very high26 Ų2679.7 Ų79.718%0.17640%0.396CS..EExtended strand (participates in β ladder)trans-155.6131.4177.8-176.90000109.7F278 L304 L341F278-C339 HydrophobicContact CE1-CB 4.3Å; L304-C339 HydrophobicContact CB-CB 4.22Å; L304-C339 WeakPolarHBondContact CB-O 3.37Å; L304-C339 HydrophobicContact CD1-CB 4.17Å; L304-C339 HydrophobicContact CG-CB 4.47Å; L304-C339 PolarHBondContact N-O 2.95Å; L304-C339 PolarHBondContact O-N 3.4Å; L304-C339 VanDerWaalsContact O-N 3.15Å; C339-L341 VanDerWaalsContact SG-CD2 3.54Å
340A97.1Very high92Very high56 Ų5682.9 Ų82.946%0.46341%0.411SS..EExtended strand (participates in β ladder)trans-100.5123.7170.300000108.4L337L337-A340 HydrophobicContact CD2-CB 4.3Å
341L95.4Very high91.8Very high12 Ų1280.5 Ų80.56%0.06340%0.402CS..EExtended strand (participates in β ladder)trans-114.5133.9179.4-62.3176.3000109.7F285 I286 L289 N301 V302 L304 C339 M343F285-L341 HydrophobicContact CD1-CD1 4.1Å; F285-L341 HydrophobicContact CE1-CD1 4.16Å; I286-L341 HydrophobicContact CD1-CD2 4.42Å; I286-L341 HydrophobicContact CG1-CD2 4.48Å; L289-L341 HydrophobicContact CD1-CD1 4.21Å; N301-L341 WeakPolarHBondContact CA-O 3.42Å; V302-L341 HydrophobicContact CB-CB 4.4Å; V302-L341 PolarHBondContact N-O 3.4Å; V302-L341 PolarHBondContact O-N 3.15Å; L304-L341 HydrophobicContact CD1-CD1 3.93Å; L304-L341 HydrophobicContact CG-CD1 4.43Å; C339-L341 VanDerWaalsContact SG-CD2 3.54Å; L341-M343 HydrophobicContact CB-CE 3.79Å
342Q92.5Very high91.6Very high123 Ų12384.2 Ų84.258%0.57542%0.422SS*.EExtended strand (participates in β ladder)trans-118.9123.7170.4-179.2172.1-17.400108.2
343M86.8Confident91.3Very high18 Ų1879.2 Ų79.29%0.08940%0.401CS..  trans-90.3103.1175-57.5-60.696.400107.4I286 L289 R290 K300 L341I286-M343 HydrophobicContact CG2-CE 4.32Å; I286-M343 HydrophobicContact CG2-SD 4.18Å; L289-M343 HydrophobicContact CB-SD 4.19Å; L289-M343 HydrophobicContact CD1-SD 4.45Å; R290-M343 HydrophobicContact CG-CG 4.48Å; R290-M343 HydrophobicContact CG-SD 3.73Å; K300-M343 PolarHBondContact O-N 2.75Å; L341-M343 HydrophobicContact CB-CE 3.79Å
344D74.8Confident90.9Very high112 Ų11274.3 Ų74.360%0.59938%0.384SS*.  trans-62.6138.9162.8-59.4-35000108.6
345N57.7Low90.3Very high192 Ų19280.2 Ų80.2100%1.02741%0.413SS*.  trans-55.80-177.5-80-13.1000113.7

Retrieved 345 of 345 residues in 175.3 ms (Link to these results)

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