A0A3Q0KKQ7_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KKQ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 524 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
1M80.6Confident90.7Very high45 Ų4576 Ų7622%0.22237%0.369CS..  0-29.60-87.2-48.5-114.500113.5R3 Y4 I32 F70M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 2.73Å; M1-Y4 CarbonylContact O-C 3.47Å; M1-Y4 VanDerWaalsContact O-CA 3.32Å; M1-Y4 WeakPolarHBondContact O-CA 3.24Å; M1-Y4 WeakPolarHBondContact O-CB 3.45Å; M1-Y4 PolarHBondContact O-N 3.07Å; M1-Y4 HydrophobicContact SD-CD2 4.45Å; M1-I32 HydrophobicContact SD-CD1 3.92Å; M1-F70 HydrophobicContact CB-CE2 4.31Å; M1-F70 HydrophobicContact CB-CZ 4.38Å; M1-F70 HydrophobicContact CG-CE2 3.7Å; M1-F70 HydrophobicContact CG-CZ 3.69Å; M1-F70 HydrophobicContact SD-CE2 4.26Å; M1-F70 HydrophobicContact SD-CZ 3.62Å
2D87Confident89.8Confident105 Ų10580.4 Ų80.456%0.56139%0.388SS*.THydrogen-bonded Turntrans-70.3-34.1-167.9-43.3-87000111.3Y4 R24 R72D2-Y4 PolarHBondContact O-N 2.58Å; D2-Y4 VanDerWaalsContact O-N 3.13Å; D2-R24 VanDerWaalsContact O-CD 3.31Å; D2-R24 WeakPolarHBondContact O-CD 3.2Å; D2-R24 PolarHBondContact O-NE 2.99Å; D2-R72 IonicContact OD1-CZ 3.77Å; D2-R72 IonicContact OD1-NH1 2.67Å; D2-R72 PolarHBondContact OD1-NH1 3.5Å; D2-R72 IonicContact OD1-NH2 2.62Å; D2-R72 PolarHBondContact OD1-NH2 3.41Å; D2-R72 IonicContact OD2-CZ 2.74Å; D2-R72 IonicContact OD2-NH1 3.92Å; D2-R72 PolarHBondContact OD2-NH1 2.97Å; D2-R72 IonicContact OD2-NH2 3.94Å
3R92.1Very high88.3Confident113 Ų11378 Ų7843%0.42640%0.397SS..THydrogen-bonded Turntrans-60.3-4.8161-66-172.3-62.8178.50.1115.9M1 H23 R24 E68M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 2.73Å; R3-H23 PolarHBondContact O-CD2 2.94Å; R3-R24 PolarHBondContact O-N 3.2Å; R3-E68 IonicContact CZ-OE1 2.65Å; R3-E68 IonicContact CZ-OE2 3.18Å; R3-E68 IonicContact NH1-OE2 3.4Å; R3-E68 IonicContact NH2-OE1 3.59Å; R3-E68 PolarHBondContact NH2-OE1 2.85Å; R3-E68 IonicContact NH2-OE2 2.68Å; R3-E68 PolarHBondContact NH2-OE2 3.2Å
4Y94.9Very high86.9Confident16 Ų1677.1 Ų77.16%0.06341%0.407CS..EExtended strand (participates in β ladder)trans-124.5124.4-175.2-64.7-70.9000111.9M1 D2 R22 H23 V30 I32 E68 F70 V79M1-Y4 CarbonylContact O-C 3.47Å; M1-Y4 VanDerWaalsContact O-CA 3.32Å; M1-Y4 WeakPolarHBondContact O-CA 3.24Å; M1-Y4 WeakPolarHBondContact O-CB 3.45Å; M1-Y4 PolarHBondContact O-N 3.07Å; M1-Y4 HydrophobicContact SD-CD2 4.45Å; D2-Y4 PolarHBondContact O-N 2.58Å; D2-Y4 VanDerWaalsContact O-N 3.13Å; Y4-R22 CarbonylContact C-O 3.38Å; Y4-R22 VanDerWaalsContact CA-O 3.31Å; Y4-R22 WeakPolarHBondContact CA-O 3.47Å; Y4-H23 HydrophobicContact CD1-CB 4.1Å; Y4-H23 AromaticContact CD1-CD2 3.92Å; Y4-H23 HydrophobicContact CE1-CB 3.82Å; Y4-H23 AromaticContact CE1-CD2 3.4Å; Y4-H23 WeakPolarHBondContact CE1-CD2 3.36Å; Y4-H23 AromaticContact CE1-CG 3.95Å; Y4-H23 AromaticContact CZ-CD2 3.74Å; Y4-V30 HydrophobicContact CD1-CG2 3.8Å; Y4-V30 HydrophobicContact CE1-CG2 3.71Å; Y4-I32 HydrophobicContact CD1-CD1 3.99Å; Y4-I32 HydrophobicContact CD2-CD1 3.87Å; Y4-I32 HydrophobicContact CE1-CD1 4.45Å; Y4-I32 HydrophobicContact CE2-CD1 4.34Å; Y4-I32 HydrophobicContact CG-CD1 3.7Å; Y4-E68 WeakPolarHBondContact CE2-OE1 3.27Å; Y4-E68 PolarHBondContact OH-OE1 2.79Å; Y4-F70 HydrophobicContact CD2-CE1 4.02Å; Y4-F70 HydrophobicContact CD2-CZ 4.43Å; Y4-F70 HydrophobicContact CE2-CD1 4.45Å; Y4-F70 AromaticContact CE2-CE1 3.8Å; Y4-F70 HydrophobicContact CE2-CE1 3.8Å; Y4-V79 HydrophobicContact CE1-CG1 4.28Å; Y4-V79 HydrophobicContact CE2-CG2 4.12Å
5E95.2Very high86.1Confident70 Ų7075.2 Ų75.233%0.32739%0.393SS..EExtended strand (participates in β ladder)trans-84124.7164.8174.8176.2-110.600109.2L7 C21 R22E5-L7 HydrophobicContact CG-CD2 3.94Å; E5-L7 WeakPolarHBondContact OE2-CD2 3.09Å; E5-C21 CarbonylContact O-C 3.56Å; E5-C21 WeakPolarHBondContact O-CA 3.43Å; E5-C21 WeakPolarHBondContact O-CB 3.42Å; E5-R22 HydrophobicContact CB-CB 4.25Å; E5-R22 PolarHBondContact N-O 3.4Å; E5-R22 PolarHBondContact O-N 3.29Å; E5-R22 IonicContact OE2-NE 3.59Å
6K95.4Very high85.8Confident121 Ų12171.1 Ų71.153%0.52638%0.375SS..EExtended strand (participates in β ladder)trans-82.3117.5173.8172.2-177.2156.7-1800109.1F19K6-F19 HydrophobicContact CD-CD1 3.93Å; K6-F19 HydrophobicContact CD-CE1 4.25Å; K6-F19 HydrophobicContact CD-CG 4.2Å; K6-F19 VanDerWaalsContact CE-CD1 3.41Å; K6-F19 VanDerWaalsContact CE-CE1 3.49Å; K6-F19 HydrophobicContact CG-CB 4.39Å; K6-F19 HydrophobicContact CG-CD1 4.31Å; K6-F19 HydrophobicContact CG-CG 4.42Å; K6-F19 VanDerWaalsContact NZ-CE1 3.28Å
7L95.5Very high85.9Confident73 Ų7367.9 Ų67.938%0.38236%0.359SS..EExtended strand (participates in β ladder)trans-90.5-56.9-179.3-56.9175.9000111.7E5 K20 R22 I29E5-L7 HydrophobicContact CG-CD2 3.94Å; E5-L7 WeakPolarHBondContact OE2-CD2 3.09Å; L7-K20 WeakPolarHBondContact CA-O 3.29Å; L7-K20 WeakPolarHBondContact CB-O 3.28Å; L7-K20 HydrophobicContact CD1-CG 4.43Å; L7-K20 PolarHBondContact N-O 2.64Å; L7-R22 HydrophobicContact CD1-CB 4.21Å; L7-R22 HydrophobicContact CD2-CB 4.47Å; L7-R22 HydrophobicContact CG-CB 4.43Å; L7-I29 HydrophobicContact CD1-CD1 4.01Å
8T95.3Very high86.3Confident73 Ų7366.3 Ų66.345%0.44835%0.352SS..EExtended strand (participates in β ladder)trans-156.8166.6-178.9-170.40000112.9I10 F19 K20T8-I10 HydrophobicContact CG2-CG2 4.03Å; T8-F19 CarbonylContact O-C 3.29Å; T8-F19 VanDerWaalsContact O-CA 3.31Å; T8-F19 WeakPolarHBondContact O-CA 3.35Å; T8-K20 HydrophobicContact CG2-CB 3.99Å; T8-K20 HydrophobicContact CG2-CD 4.32Å; T8-K20 PolarHBondContact N-O 2.76Å; T8-K20 VanDerWaalsContact N-O 3.16Å; T8-K20 PolarHBondContact O-N 3.18Å
9R93Very high86.7Confident118 Ų11864.1 Ų64.145%0.44534%0.339SS..EExtended strand (participates in β ladder)trans-80.4133.6168.2-171-175.1-138.4-1615.7108.7E12 V17 F19R9-E12 IonicContact CZ-OE1 3.23Å; R9-E12 IonicContact CZ-OE2 3.84Å; R9-E12 IonicContact NH1-OE1 3.28Å; R9-E12 IonicContact NH1-OE2 3.97Å; R9-E12 PolarHBondContact NH1-OE2 2.68Å; R9-E12 IonicContact NH2-OE1 3.04Å; R9-E12 PolarHBondContact NH2-OE1 3.07Å; R9-E12 IonicContact NH2-OE2 3.96Å; R9-E12 PolarHBondContact NH2-OE2 2.88Å; R9-V17 HydrophobicContact CG-CG1 3.97Å; R9-F19 HydrophobicContact CB-CD1 4.17Å; R9-F19 HydrophobicContact CB-CE1 4.13Å; R9-F19 HydrophobicContact CG-CD1 4.47Å; R9-F19 HydrophobicContact CG-CE1 4.21Å
10I88.1Confident87.1Confident76 Ų7663.4 Ų63.439%0.3933%0.333SS..EExtended strand (participates in β ladder)trans-122.9-1117759.5173.3000113.9T8 V18 K20 A31 Y82T8-I10 HydrophobicContact CG2-CG2 4.03Å; I10-V18 HydrophobicContact CD1-CG1 3.87Å; I10-V18 HydrophobicContact CG1-CB 4.07Å; I10-V18 HydrophobicContact CG1-CG1 3.75Å; I10-V18 PolarHBondContact N-O 3.15Å; I10-K20 HydrophobicContact CD1-CB 4.22Å; I10-K20 HydrophobicContact CG2-CB 3.65Å; I10-K20 HydrophobicContact CG2-CD 4.44Å; I10-A31 HydrophobicContact CD1-CB 4.14Å; I10-Y82 HydrophobicContact CD1-CD2 4.03Å; I10-Y82 HydrophobicContact CD1-CE2 3.88Å
11G80.4Confident87.6Confident26 Ų2660.4 Ų60.427%0.26832%0.317SS..EExtended strand (participates in β ladder)trans-166.3161.117500000113.1V17 V18G11-V17 WeakPolarHBondContact O-CG1 3.37Å; G11-V18 PolarHBondContact N-O 3.4Å; G11-V18 PolarHBondContact O-N 3.06Å
12E80.6Confident88.4Confident129 Ų12963 Ų6360%0.60332%0.324SS*.EExtended strand (participates in β ladder)trans-142.7137.5171.1173.4157.2-119.900107.4R9R9-E12 IonicContact CZ-OE1 3.23Å; R9-E12 IonicContact CZ-OE2 3.84Å; R9-E12 IonicContact NH1-OE1 3.28Å; R9-E12 IonicContact NH1-OE2 3.97Å; R9-E12 PolarHBondContact NH1-OE2 2.68Å; R9-E12 IonicContact NH2-OE1 3.04Å; R9-E12 PolarHBondContact NH2-OE1 3.07Å; R9-E12 IonicContact NH2-OE2 3.96Å; R9-E12 PolarHBondContact NH2-OE2 2.88Å
13G70.1Confident88.8Confident49 Ų4959.1 Ų59.151%0.50530%0.303SS..EExtended strand (participates in β ladder)trans-145.9174176.700000110Y15 G16G13-Y15 PolarHBondContact O-N 3.5Å; G13-G16 PolarHBondContact N-O 3.45Å; G13-G16 PolarHBondContact O-N 3.22Å; G13-G16 VanDerWaalsContact O-N 3.07Å; G13-G16 VanDerWaalsContact O-O 3.07Å
14A68.3Low89Confident65 Ų6560.4 Ų60.454%0.53731%0.308SS..THydrogen-bonded Turntrans-52.1-27.4-169.500000115.3
15Y74.3Confident88.9Confident49 Ų4965.3 Ų65.319%0.19234%0.335CS..THydrogen-bonded Turntrans-112.44.5-174.2-46.1-56.3000114.4G13 F35 T36 I44 I47 F147G13-Y15 PolarHBondContact O-N 3.5Å; Y15-F35 VanDerWaalsContact O-CA 3.3Å; Y15-F35 WeakPolarHBondContact O-CA 3.46Å; Y15-F35 WeakPolarHBondContact O-CD1 3.15Å; Y15-T36 VanDerWaalsContact C-OG1 3.3Å; Y15-T36 PolarHBondContact O-N 3.49Å; Y15-T36 PolarHBondContact O-OG1 2.71Å; Y15-I44 HydrophobicContact CD1-CG1 4.08Å; Y15-I47 HydrophobicContact CD1-CD1 4.23Å; Y15-I47 HydrophobicContact CD2-CG2 4.08Å; Y15-I47 HydrophobicContact CE1-CD1 3.71Å; Y15-I47 HydrophobicContact CE2-CD1 4.05Å; Y15-I47 HydrophobicContact CE2-CG2 4.26Å; Y15-F147 HydrophobicContact CE2-CE1 4.24Å; Y15-F147 AromaticContact CE2-CZ 3.88Å; Y15-F147 HydrophobicContact CE2-CZ 3.88Å
16G81.2Confident88.9Confident10 Ų1066 Ų6610%0.10334%0.344CS..EExtended strand (participates in β ladder)trans158.8-166.8178.900000116.7G13 K34G13-G16 PolarHBondContact N-O 3.45Å; G13-G16 PolarHBondContact O-N 3.22Å; G13-G16 VanDerWaalsContact O-N 3.07Å; G13-G16 VanDerWaalsContact O-O 3.07Å; G16-K34 CarbonylContact C-O 3.48Å; G16-K34 VanDerWaalsContact CA-O 3.29Å; G16-K34 WeakPolarHBondContact CA-O 3.48Å
17V88.6Confident88.8Confident16 Ų1661.6 Ų61.610%0.09733%0.333CS..EExtended strand (participates in β ladder)trans-128.1132.8-169.1-172.50000110.7R9 G11 F19 K34R9-V17 HydrophobicContact CG-CG1 3.97Å; G11-V17 WeakPolarHBondContact O-CG1 3.37Å; V17-F19 HydrophobicContact CB-CE2 3.92Å; V17-F19 HydrophobicContact CB-CZ 3.95Å; V17-F19 HydrophobicContact CG1-CD1 4.46Å; V17-F19 HydrophobicContact CG1-CD2 4.41Å; V17-F19 HydrophobicContact CG1-CE1 3.75Å; V17-F19 HydrophobicContact CG1-CE2 3.7Å; V17-F19 HydrophobicContact CG1-CZ 3.34Å; V17-K34 PolarHBondContact N-O 3.15Å; V17-K34 PolarHBondContact O-N 2.95Å
18V91.9Very high88.8Confident39 Ų3962.6 Ų62.624%0.23634%0.339CS..EExtended strand (participates in β ladder)trans-100.3127178.3-1660000110.1I10 G11 A31 I32 K33I10-V18 HydrophobicContact CD1-CG1 3.87Å; I10-V18 HydrophobicContact CG1-CB 4.07Å; I10-V18 HydrophobicContact CG1-CG1 3.75Å; I10-V18 PolarHBondContact N-O 3.15Å; G11-V18 PolarHBondContact N-O 3.4Å; G11-V18 PolarHBondContact O-N 3.06Å; V18-A31 HydrophobicContact CG1-CB 4.25Å; V18-I32 WeakPolarHBondContact CA-O 3.32Å; V18-K33 HydrophobicContact CG2-CB 4.34Å; V18-K33 HydrophobicContact CG2-CG 4.26Å
19F94.3Very high88.8Confident24 Ų2461.7 Ų61.711%0.10533%0.331CS..EExtended strand (participates in β ladder)trans-114.9137.6176.7-60.8-73.2000111.3K6 T8 R9 V17 A31 I32 K34K6-F19 HydrophobicContact CD-CD1 3.93Å; K6-F19 HydrophobicContact CD-CE1 4.25Å; K6-F19 HydrophobicContact CD-CG 4.2Å; K6-F19 VanDerWaalsContact CE-CD1 3.41Å; K6-F19 VanDerWaalsContact CE-CE1 3.49Å; K6-F19 HydrophobicContact CG-CB 4.39Å; K6-F19 HydrophobicContact CG-CD1 4.31Å; K6-F19 HydrophobicContact CG-CG 4.42Å; K6-F19 VanDerWaalsContact NZ-CE1 3.28Å; T8-F19 CarbonylContact O-C 3.29Å; T8-F19 VanDerWaalsContact O-CA 3.31Å; T8-F19 WeakPolarHBondContact O-CA 3.35Å; R9-F19 HydrophobicContact CB-CD1 4.17Å; R9-F19 HydrophobicContact CB-CE1 4.13Å; R9-F19 HydrophobicContact CG-CD1 4.47Å; R9-F19 HydrophobicContact CG-CE1 4.21Å; V17-F19 HydrophobicContact CB-CE2 3.92Å; V17-F19 HydrophobicContact CB-CZ 3.95Å; V17-F19 HydrophobicContact CG1-CD1 4.46Å; V17-F19 HydrophobicContact CG1-CD2 4.41Å; V17-F19 HydrophobicContact CG1-CE1 3.75Å; V17-F19 HydrophobicContact CG1-CE2 3.7Å; V17-F19 HydrophobicContact CG1-CZ 3.34Å; F19-A31 WeakPolarHBondContact O-CA 3.35Å; F19-I32 PolarHBondContact N-O 3.08Å; F19-I32 PolarHBondContact O-N 3.06Å; F19-K34 HydrophobicContact CE2-CB 4.34Å; F19-K34 HydrophobicContact CE2-CD 4.33Å
20K95.5Very high88.9Confident51 Ų5156.4 Ų56.422%0.22231%0.312CS..EExtended strand (participates in β ladder)trans-78.4124.4162.8-173.8175.4-170.9168.40107.5L7 T8 I10 I29 Y82L7-K20 WeakPolarHBondContact CA-O 3.29Å; L7-K20 WeakPolarHBondContact CB-O 3.28Å; L7-K20 HydrophobicContact CD1-CG 4.43Å; L7-K20 PolarHBondContact N-O 2.64Å; T8-K20 HydrophobicContact CG2-CB 3.99Å; T8-K20 HydrophobicContact CG2-CD 4.32Å; T8-K20 PolarHBondContact N-O 2.76Å; T8-K20 VanDerWaalsContact N-O 3.16Å; T8-K20 PolarHBondContact O-N 3.18Å; I10-K20 HydrophobicContact CD1-CB 4.22Å; I10-K20 HydrophobicContact CG2-CB 3.65Å; I10-K20 HydrophobicContact CG2-CD 4.44Å; K20-I29 HydrophobicContact CD-CG2 4.28Å; K20-I29 VanDerWaalsContact CE-CG2 3.49Å; K20-I29 HydrophobicContact CG-CG2 3.8Å; K20-Y82 HydrophobicContact CB-CE2 4.42Å; K20-Y82 HydrophobicContact CD-CD2 4.2Å; K20-Y82 HydrophobicContact CD-CE1 4.26Å; K20-Y82 HydrophobicContact CD-CE2 3.7Å; K20-Y82 VanDerWaalsContact CE-CE1 3.42Å; K20-Y82 HydrophobicContact CG-CD2 4Å; K20-Y82 HydrophobicContact CG-CE2 3.97Å; K20-Y82 PolarHBondContact NZ-OH 2.95Å
21C96.7Very high89.3Confident0 Ų053.4 Ų53.40%030%0.298CS..EExtended strand (participates in β ladder)trans-129.8161.7-178.6-620000110.2E5 I29 V30 I32E5-C21 CarbonylContact O-C 3.56Å; E5-C21 WeakPolarHBondContact O-CA 3.43Å; E5-C21 WeakPolarHBondContact O-CB 3.42Å; C21-I29 WeakPolarHBondContact O-CA 3.41Å; C21-V30 HydrophobicContact CB-CG2 3.88Å; C21-V30 PolarHBondContact N-O 3.06Å; C21-V30 PolarHBondContact O-N 2.89Å; C21-I32 HydrophobicContact CB-CD1 3.87Å; C21-I32 HydrophobicContact CB-CG1 4.13Å
22R97.1Very high89.9Confident99 Ų9952.2 Ų52.237%0.37429%0.286SS..EExtended strand (participates in β ladder)trans-107.2133.4167.3-173.9-174-61.1-80.19.6109.4Y4 E5 L7 G27 D28 I29Y4-R22 CarbonylContact C-O 3.38Å; Y4-R22 VanDerWaalsContact CA-O 3.31Å; Y4-R22 WeakPolarHBondContact CA-O 3.47Å; E5-R22 HydrophobicContact CB-CB 4.25Å; E5-R22 PolarHBondContact N-O 3.4Å; E5-R22 PolarHBondContact O-N 3.29Å; E5-R22 IonicContact OE2-NE 3.59Å; L7-R22 HydrophobicContact CD1-CB 4.21Å; L7-R22 HydrophobicContact CD2-CB 4.47Å; L7-R22 HydrophobicContact CG-CB 4.43Å; R22-G27 WeakPolarHBondContact CG-O 3.36Å; R22-G27 PolarHBondContact NH1-O 2.81Å; R22-D28 CarbonylContact C-O 3.57Å; R22-D28 VanDerWaalsContact CA-O 3.25Å; R22-D28 WeakPolarHBondContact CA-O 3.19Å; R22-I29 HydrophobicContact CB-CD1 4.3Å; R22-I29 HydrophobicContact CG-CD1 4.31Å
23H95.9Very high90.5Very high25 Ų2547.1 Ų47.112%0.11626%0.262CS..EExtended strand (participates in β ladder)trans-74.7124.4165.5-171.7-117.5000108.9R3 Y4 D25 T26 G27 D28R3-H23 PolarHBondContact O-CD2 2.94Å; Y4-H23 HydrophobicContact CD1-CB 4.1Å; Y4-H23 AromaticContact CD1-CD2 3.92Å; Y4-H23 HydrophobicContact CE1-CB 3.82Å; Y4-H23 AromaticContact CE1-CD2 3.4Å; Y4-H23 WeakPolarHBondContact CE1-CD2 3.36Å; Y4-H23 AromaticContact CE1-CG 3.95Å; Y4-H23 AromaticContact CZ-CD2 3.74Å; H23-D25 IonicContact CE1-OD2 3.05Å; H23-D25 PolarHBondContact CE1-OD2 2.72Å; H23-D25 IonicContact NE2-OD2 2.6Å; H23-D25 PolarHBondContact O-N 2.88Å; H23-T26 PolarHBondContact ND1-OG1 2.92Å; H23-G27 VanDerWaalsContact O-CA 3.27Å; H23-G27 WeakPolarHBondContact O-CA 3.32Å; H23-G27 PolarHBondContact O-N 3.39Å; H23-D28 HydrophobicContact CB-CB 4.33Å; H23-D28 PolarHBondContact N-O 3.44Å
24R95.6Very high91.5Very high140 Ų14047.7 Ų47.753%0.52825%0.25SS..THydrogen-bonded Turntrans-65.5-40.3-169.9-70.2-172.6-175.6-73.5-2.3112.6D2 R3D2-R24 VanDerWaalsContact O-CD 3.31Å; D2-R24 WeakPolarHBondContact O-CD 3.2Å; D2-R24 PolarHBondContact O-NE 2.99Å; R3-R24 PolarHBondContact O-N 3.2Å
25D94.3Very high92.5Very high119 Ų11944.6 Ų44.664%0.63622%0.224SC*.THydrogen-bonded Turntrans-82.9-24.4-166.9-41.7-34.4000112.4H23H23-D25 IonicContact CE1-OD2 3.05Å; H23-D25 PolarHBondContact CE1-OD2 2.72Å; H23-D25 IonicContact NE2-OD2 2.6Å; H23-D25 PolarHBondContact O-N 2.88Å
26T94.5Very high92.7Very high83 Ų8344 Ų4451%0.50923%0.226SC..THydrogen-bonded Turntrans-115.3-13.2-179.159.10000113.7H23 D28H23-T26 PolarHBondContact ND1-OG1 2.92Å; T26-D28 WeakPolarHBondContact CB-OD2 3.5Å; T26-D28 PolarHBondContact O-N 2.85Å; T26-D28 PolarHBondContact OG1-OD2 3.48Å
27G94.4Very high92.5Very high29 Ų2945.9 Ų45.930%0.29923%0.234SC..  trans77.7-5.5-175.600000115.3R22 H23R22-G27 WeakPolarHBondContact CG-O 3.36Å; R22-G27 PolarHBondContact NH1-O 2.81Å; H23-G27 VanDerWaalsContact O-CA 3.27Å; H23-G27 WeakPolarHBondContact O-CA 3.32Å; H23-G27 PolarHBondContact O-N 3.39Å
28D94.1Very high91.6Very high94 Ų9445.1 Ų45.150%0.50323%0.229SC..  trans-58.5146.1-175.5-68-51.6000113.5R22 H23 T26R22-D28 CarbonylContact C-O 3.57Å; R22-D28 VanDerWaalsContact CA-O 3.25Å; R22-D28 WeakPolarHBondContact CA-O 3.19Å; H23-D28 HydrophobicContact CB-CB 4.33Å; H23-D28 PolarHBondContact N-O 3.44Å; T26-D28 WeakPolarHBondContact CB-OD2 3.5Å; T26-D28 PolarHBondContact O-N 2.85Å; T26-D28 PolarHBondContact OG1-OD2 3.48Å
29I95.5Very high90.6Very high55 Ų5546.1 Ų46.128%0.28223%0.231SC..EExtended strand (participates in β ladder)trans-94.6124173.3-51.6-59.3000109.7L7 K20 C21 R22 Y82L7-I29 HydrophobicContact CD1-CD1 4.01Å; K20-I29 HydrophobicContact CD-CG2 4.28Å; K20-I29 VanDerWaalsContact CE-CG2 3.49Å; K20-I29 HydrophobicContact CG-CG2 3.8Å; C21-I29 WeakPolarHBondContact O-CA 3.41Å; R22-I29 HydrophobicContact CB-CD1 4.3Å; R22-I29 HydrophobicContact CG-CD1 4.31Å; I29-Y82 HydrophobicContact CB-CD1 4.48Å; I29-Y82 HydrophobicContact CG2-CD1 3.71Å; I29-Y82 HydrophobicContact CG2-CD2 4.45Å; I29-Y82 HydrophobicContact CG2-CE1 4.48Å; I29-Y82 HydrophobicContact CG2-CG 3.69Å; I29-Y82 VanDerWaalsContact O-CB 3.27Å; I29-Y82 WeakPolarHBondContact O-CB 3.33Å; I29-Y82 PolarHBondContact O-N 3.33Å
30V95.7Very high89.9Confident7 Ų750.5 Ų50.54%0.04225%0.252CS..EExtended strand (participates in β ladder)trans-124.8154.9-177.6-61.80000111.6Y4 C21 I32 I67 V79 F80Y4-V30 HydrophobicContact CD1-CG2 3.8Å; Y4-V30 HydrophobicContact CE1-CG2 3.71Å; C21-V30 HydrophobicContact CB-CG2 3.88Å; C21-V30 PolarHBondContact N-O 3.06Å; C21-V30 PolarHBondContact O-N 2.89Å; V30-I32 HydrophobicContact CG2-CD1 4.22Å; V30-I32 HydrophobicContact CG2-CG1 4.01Å; V30-I67 HydrophobicContact CG1-CD1 4.29Å; V30-V79 HydrophobicContact CB-CG1 3.88Å; V30-V79 HydrophobicContact CG1-CG1 4.1Å; V30-V79 HydrophobicContact CG2-CG1 4.05Å; V30-F80 CarbonylContact C-O 3.47Å; V30-F80 WeakPolarHBondContact CA-O 3.46Å; V30-F80 VanDerWaalsContact CB-O 3.3Å; V30-F80 WeakPolarHBondContact CB-O 3.21Å
31A95.4Very high89.3Confident13 Ų1350.8 Ų50.811%0.10726%0.256CS..EExtended strand (participates in β ladder)trans-101.2126.7167.300000109.3I10 V18 F19 F80I10-A31 HydrophobicContact CD1-CB 4.14Å; V18-A31 HydrophobicContact CG1-CB 4.25Å; F19-A31 WeakPolarHBondContact O-CA 3.35Å; A31-F80 HydrophobicContact CB-CB 4.43Å; A31-F80 PolarHBondContact N-O 2.88Å; A31-F80 PolarHBondContact O-N 2.88Å
32I94.6Very high88.7Confident0 Ų055.5 Ų55.50%029%0.287CS..EExtended strand (participates in β ladder)trans-114107.9178.5-52.9-169.6000109.5M1 Y4 V18 F19 C21 V30 K34 H77 L78 V79M1-I32 HydrophobicContact SD-CD1 3.92Å; Y4-I32 HydrophobicContact CD1-CD1 3.99Å; Y4-I32 HydrophobicContact CD2-CD1 3.87Å; Y4-I32 HydrophobicContact CE1-CD1 4.45Å; Y4-I32 HydrophobicContact CE2-CD1 4.34Å; Y4-I32 HydrophobicContact CG-CD1 3.7Å; V18-I32 WeakPolarHBondContact CA-O 3.32Å; F19-I32 PolarHBondContact N-O 3.08Å; F19-I32 PolarHBondContact O-N 3.06Å; C21-I32 HydrophobicContact CB-CD1 3.87Å; C21-I32 HydrophobicContact CB-CG1 4.13Å; V30-I32 HydrophobicContact CG2-CD1 4.22Å; V30-I32 HydrophobicContact CG2-CG1 4.01Å; I32-K34 PolarHBondContact O-N 3.4Å; I32-H77 HydrophobicContact CG2-CB 3.96Å; I32-L78 CarbonylContact C-O 3.56Å; I32-L78 WeakPolarHBondContact CA-O 3.47Å; I32-V79 HydrophobicContact CD1-CG2 4.21Å; I32-V79 HydrophobicContact CG1-CG1 4.37Å; I32-V79 HydrophobicContact CG1-CG2 4.18Å
33K92.5Very high88Confident23 Ų2354.4 Ų54.410%0.129%0.291CS..EExtended strand (participates in β ladder)trans-81.8101.7171.8-174.4174.6177.7-174.40108V18 F35 E51 H77 L78 F80 D144V18-K33 HydrophobicContact CG2-CB 4.34Å; V18-K33 HydrophobicContact CG2-CG 4.26Å; K33-F35 HydrophobicContact CD-CE2 4.12Å; K33-F35 HydrophobicContact CD-CZ 4.18Å; K33-F35 HydrophobicContact CG-CE2 4.06Å; K33-E51 IonicContact NZ-OE1 3.48Å; K33-E51 PolarHBondContact NZ-OE1 3.2Å; K33-E51 IonicContact NZ-OE2 2.68Å; K33-E51 PolarHBondContact NZ-OE2 2.83Å; K33-H77 WeakPolarHBondContact O-CA 3.34Å; K33-L78 HydrophobicContact CB-CB 4.45Å; K33-L78 PolarHBondContact N-O 2.93Å; K33-L78 PolarHBondContact O-N 2.86Å; K33-F80 HydrophobicContact CB-CE2 3.99Å; K33-D144 IonicContact NZ-OD1 3.44Å; K33-D144 PolarHBondContact NZ-OD1 2.96Å
34K91.8Very high87.3Confident60 Ų6054.1 Ų54.126%0.26129%0.29SS..EExtended strand (participates in β ladder)trans-90114.3174.4174.9-168.7172.6-159.60108.4G16 V17 F19 I32 R75G16-K34 CarbonylContact C-O 3.48Å; G16-K34 VanDerWaalsContact CA-O 3.29Å; G16-K34 WeakPolarHBondContact CA-O 3.48Å; V17-K34 PolarHBondContact N-O 3.15Å; V17-K34 PolarHBondContact O-N 2.95Å; F19-K34 HydrophobicContact CE2-CB 4.34Å; F19-K34 HydrophobicContact CE2-CD 4.33Å; I32-K34 PolarHBondContact O-N 3.4Å; K34-R75 VanDerWaalsContact CE-CD 3.49Å
35F87.6Confident86.8Confident0 Ų050.9 Ų50.90%028%0.281CS..EExtended strand (participates in β ladder)trans-70.1142.6172.2-74-98.9000110.9Y15 K33 I44 A48 E51 R75 L76 L78Y15-F35 VanDerWaalsContact O-CA 3.3Å; Y15-F35 WeakPolarHBondContact O-CA 3.46Å; Y15-F35 WeakPolarHBondContact O-CD1 3.15Å; K33-F35 HydrophobicContact CD-CE2 4.12Å; K33-F35 HydrophobicContact CD-CZ 4.18Å; K33-F35 HydrophobicContact CG-CE2 4.06Å; F35-I44 HydrophobicContact CD1-CG2 3.98Å; F35-A48 HydrophobicContact CD1-CB 3.79Å; F35-A48 HydrophobicContact CD2-CB 4.2Å; F35-A48 HydrophobicContact CE1-CB 3.69Å; F35-A48 HydrophobicContact CE2-CB 4.12Å; F35-A48 HydrophobicContact CG-CB 4.04Å; F35-A48 HydrophobicContact CZ-CB 3.85Å; F35-E51 WeakPolarHBondContact CZ-OE2 3.38Å; F35-R75 WeakPolarHBondContact O-CB 3.34Å; F35-R75 WeakPolarHBondContact O-CD 3.3Å; F35-L76 HydrophobicContact CB-CB 4.48Å; F35-L76 HydrophobicContact CD2-CB 4.4Å; F35-L76 PolarHBondContact N-O 2.89Å; F35-L78 HydrophobicContact CD2-CD1 3.99Å; F35-L78 HydrophobicContact CE2-CD1 3.63Å; F35-L78 HydrophobicContact CE2-CD2 4.02Å; F35-L78 HydrophobicContact CE2-CG 4.37Å
36T80.6Confident86.3Confident37 Ų3753.2 Ų53.223%0.22728%0.281CS..SBendtrans-82.3132.5165.633.30000108.8Y15 S38 I44Y15-T36 VanDerWaalsContact C-OG1 3.3Å; Y15-T36 PolarHBondContact O-N 3.49Å; Y15-T36 PolarHBondContact O-OG1 2.71Å; T36-S38 PolarHBondContact O-N 3.41Å; T36-I44 WeakPolarHBondContact O-CG2 3.24Å
37D75.2Confident85.7Confident50 Ų5050 Ų5027%0.26726%0.26SS..SBendtrans57.424158.8-46.2-44.7000116.3E39 E40 D41 R75D37-E39 PolarHBondContact O-N 3.01Å; D37-E40 PolarHBondContact O-N 3.48Å; D37-D41 PolarHBondContact O-N 2.83Å; D37-R75 IonicContact OD1-CZ 3.78Å; D37-R75 IonicContact OD1-NE 2.68Å; D37-R75 PolarHBondContact OD1-NE 3.24Å; D37-R75 IonicContact OD1-NH1 3.34Å; D37-R75 IonicContact OD1-NH2 3.5Å; D37-R75 PolarHBondContact OD1-NH2 3.04Å; D37-R75 IonicContact OD2-CZ 3.72Å; D37-R75 IonicContact OD2-NH2 3.59Å
38S69.6Low85.3Confident0 Ų048.6 Ų48.60%025%0.246CC..THydrogen-bonded Turntrans-6516.2-179.866.80000116.5T36 H45 L76T36-S38 PolarHBondContact O-N 3.41Å; S38-H45 PolarHBondContact O-ND1 3.44Å; S38-L76 PolarHBondContact OG-N 3.26Å
39E72.2Confident85Confident60 Ų6046.7 Ų46.728%0.2823%0.234SC..THydrogen-bonded Turntrans-138.1-0.8171.4-71.4-160.1145.200113D37 K71 R74D37-E39 PolarHBondContact O-N 3.01Å; E39-K71 VanDerWaalsContact CD-CE 3.48Å; E39-K71 WeakPolarHBondContact OE1-CE 3.36Å; E39-K71 IonicContact OE1-NZ 3.95Å; E39-K71 PolarHBondContact OE1-NZ 3.22Å; E39-K71 VanDerWaalsContact OE2-CE 3.24Å; E39-K71 WeakPolarHBondContact OE2-CE 3.45Å; E39-K71 IonicContact OE2-NZ 3.65Å; E39-K71 PolarHBondContact OE2-NZ 3.18Å; E39-K71 VanDerWaalsContact OE2-NZ 3.07Å; E39-R74 HydrophobicContact CB-CB 4.42Å; E39-R74 VanDerWaalsContact CG-O 3.29Å; E39-R74 WeakPolarHBondContact CG-O 3.48Å; E39-R74 PolarHBondContact O-NH2 3.4Å; E39-R74 WeakPolarHBondContact OE2-CA 3.44Å; E39-R74 WeakPolarHBondContact OE2-CB 3.4Å; E39-R74 IonicContact OE2-NE 2.66Å; E39-R74 PolarHBondContact OE2-NE 3.42Å
40E78.5Confident84.5Confident116 Ų11646.3 Ų46.354%0.54223%0.229SC..THydrogen-bonded Turntrans-115.8-31.2179.7-73.7154.4-159.600109.4D37 R74D37-E40 PolarHBondContact O-N 3.48Å; E40-R74 IonicContact OE1-CZ 2.73Å; E40-R74 IonicContact OE1-NE 2.58Å; E40-R74 IonicContact OE1-NH1 3.07Å; E40-R74 PolarHBondContact OE1-NH1 2.97Å
41D82.7Confident84Confident57 Ų5746.1 Ų46.131%0.30523%0.228SC..  trans-101.2113.1166.7-175.2-35.1000111.3D37 V43 I44 H45D37-D41 PolarHBondContact O-N 2.83Å; D41-V43 VanDerWaalsContact C-N 3.31Å; D41-V43 PolarHBondContact O-N 2.98Å; D41-V43 VanDerWaalsContact OD1-CA 3.27Å; D41-V43 WeakPolarHBondContact OD1-CA 3.27Å; D41-V43 WeakPolarHBondContact OD1-CB 3.26Å; D41-V43 PolarHBondContact OD1-N 2.94Å; D41-I44 HydrophobicContact CB-CB 4.09Å; D41-I44 HydrophobicContact CB-CD1 3.91Å; D41-I44 HydrophobicContact CB-CG1 3.99Å; D41-I44 PolarHBondContact O-N 2.88Å; D41-I44 PolarHBondContact OD1-N 2.92Å; D41-I44 WeakPolarHBondContact OD2-CD1 3.28Å; D41-I44 WeakPolarHBondContact OD2-CG1 3.44Å; D41-H45 PolarHBondContact O-N 3.2Å
42P85.4Confident83.7Confident99 Ų9945.9 Ų45.964%0.64323%0.225SC*.Hα-helixtrans-66.6-24.3176.5-22.534.7000115R46P42-R46 WeakPolarHBondContact O-CB 3.31Å; P42-R46 PolarHBondContact O-N 2.87Å
43V82.1Confident83.5Confident75 Ų7553.1 Ų53.146%0.45525%0.252SS..Hα-helixtrans-73.6-47.8176.3-172.60000109.6D41 H45 R46 I47D41-V43 VanDerWaalsContact C-N 3.31Å; D41-V43 PolarHBondContact O-N 2.98Å; D41-V43 VanDerWaalsContact OD1-CA 3.27Å; D41-V43 WeakPolarHBondContact OD1-CA 3.27Å; D41-V43 WeakPolarHBondContact OD1-CB 3.26Å; D41-V43 PolarHBondContact OD1-N 2.94Å; V43-H45 VanDerWaalsContact C-N 3.29Å; V43-H45 PolarHBondContact O-N 2.83Å; V43-R46 WeakPolarHBondContact O-CB 3.32Å; V43-R46 PolarHBondContact O-N 3.15Å; V43-R46 VanDerWaalsContact O-N 3.15Å; V43-I47 HydrophobicContact CG1-CD1 4.09Å; V43-I47 WeakPolarHBondContact O-CG1 3.31Å; V43-I47 PolarHBondContact O-N 2.83Å
44I81.1Confident83.2Confident19 Ų1952.1 Ų52.110%0.09725%0.248CC..Hα-helixtrans-62.4-39.9174.2-60174.9000110.5Y15 F35 T36 D41 R46 I47 A48Y15-I44 HydrophobicContact CD1-CG1 4.08Å; F35-I44 HydrophobicContact CD1-CG2 3.98Å; T36-I44 WeakPolarHBondContact O-CG2 3.24Å; D41-I44 HydrophobicContact CB-CB 4.09Å; D41-I44 HydrophobicContact CB-CD1 3.91Å; D41-I44 HydrophobicContact CB-CG1 3.99Å; D41-I44 PolarHBondContact O-N 2.88Å; D41-I44 PolarHBondContact OD1-N 2.92Å; D41-I44 WeakPolarHBondContact OD2-CD1 3.28Å; D41-I44 WeakPolarHBondContact OD2-CG1 3.44Å; I44-R46 PolarHBondContact O-N 3.21Å; I44-I47 PolarHBondContact O-N 3.4Å; I44-A48 WeakPolarHBondContact O-CB 3.2Å; I44-A48 PolarHBondContact O-N 2.8Å
45H85.6Confident83.1Confident73 Ų7349.4 Ų49.434%0.33824%0.236SC..Hα-helixtrans-58.9-46.3173-169.887000112S38 D41 V43 I47 A48 M49S38-H45 PolarHBondContact O-ND1 3.44Å; D41-H45 PolarHBondContact O-N 3.2Å; V43-H45 VanDerWaalsContact C-N 3.29Å; V43-H45 PolarHBondContact O-N 2.83Å; H45-I47 PolarHBondContact O-N 2.56Å; H45-A48 PolarHBondContact O-N 3.21Å; H45-M49 WeakPolarHBondContact NE2-CG 3.45Å; H45-M49 WeakPolarHBondContact O-CB 3.42Å; H45-M49 WeakPolarHBondContact O-CG 3.33Å; H45-M49 PolarHBondContact O-N 3.3Å
46R84.2Confident83.2Confident168 Ų16856 Ų5663%0.63427%0.265SS*.Hα-helixtrans-61-43.5177.8-168.7-173.4-60.2-161.53.9111.7P42 V43 I44 R50P42-R46 WeakPolarHBondContact O-CB 3.31Å; P42-R46 PolarHBondContact O-N 2.87Å; V43-R46 WeakPolarHBondContact O-CB 3.32Å; V43-R46 PolarHBondContact O-N 3.15Å; V43-R46 VanDerWaalsContact O-N 3.15Å; I44-R46 PolarHBondContact O-N 3.21Å; R46-R50 WeakPolarHBondContact O-CB 3.45Å; R46-R50 PolarHBondContact O-N 3.47Å
47I81.9Confident83.5Confident14 Ų1459.9 Ų59.97%0.07228%0.28CS..Hα-helixtrans-63.3-51.3177.4-69167.4000110.7Y15 V43 I44 H45 M49 R50 E51Y15-I47 HydrophobicContact CD1-CD1 4.23Å; Y15-I47 HydrophobicContact CD2-CG2 4.08Å; Y15-I47 HydrophobicContact CE1-CD1 3.71Å; Y15-I47 HydrophobicContact CE2-CD1 4.05Å; Y15-I47 HydrophobicContact CE2-CG2 4.26Å; V43-I47 HydrophobicContact CG1-CD1 4.09Å; V43-I47 WeakPolarHBondContact O-CG1 3.31Å; V43-I47 PolarHBondContact O-N 2.83Å; I44-I47 PolarHBondContact O-N 3.4Å; H45-I47 PolarHBondContact O-N 2.56Å; I47-M49 VanDerWaalsContact C-N 3.34Å; I47-M49 PolarHBondContact O-N 2.81Å; I47-R50 PolarHBondContact O-N 2.91Å; I47-E51 PolarHBondContact O-N 3.45Å
48A85.6Confident84.2Confident0 Ų057.9 Ų57.90%027%0.27CS..Hα-helixtrans-59.8-43.1178.800000111.9F35 I44 H45 E51 I52 L76F35-A48 HydrophobicContact CD1-CB 3.79Å; F35-A48 HydrophobicContact CD2-CB 4.2Å; F35-A48 HydrophobicContact CE1-CB 3.69Å; F35-A48 HydrophobicContact CE2-CB 4.12Å; F35-A48 HydrophobicContact CG-CB 4.04Å; F35-A48 HydrophobicContact CZ-CB 3.85Å; I44-A48 WeakPolarHBondContact O-CB 3.2Å; I44-A48 PolarHBondContact O-N 2.8Å; H45-A48 PolarHBondContact O-N 3.21Å; A48-E51 PolarHBondContact O-N 3.35Å; A48-I52 WeakPolarHBondContact O-CB 3.3Å; A48-I52 WeakPolarHBondContact O-CD1 3.27Å; A48-I52 WeakPolarHBondContact O-CG1 3.35Å; A48-I52 PolarHBondContact O-N 3.26Å; A48-L76 HydrophobicContact CB-CD1 3.75Å
49M87.6Confident85.3Confident54 Ų5461.4 Ų61.427%0.26629%0.285SS..Hα-helixtrans-70.5-30.2178.2-71.6-58.9-65.100113.3H45 I47 I52 R53 L76H45-M49 WeakPolarHBondContact NE2-CG 3.45Å; H45-M49 WeakPolarHBondContact O-CB 3.42Å; H45-M49 WeakPolarHBondContact O-CG 3.33Å; H45-M49 PolarHBondContact O-N 3.3Å; I47-M49 VanDerWaalsContact C-N 3.34Å; I47-M49 PolarHBondContact O-N 2.81Å; M49-I52 HydrophobicContact SD-CD1 3.95Å; M49-R53 WeakPolarHBondContact O-CD 3.47Å; M49-R53 WeakPolarHBondContact O-CG 3.43Å; M49-R53 PolarHBondContact O-N 2.98Å; M49-R53 VanDerWaalsContact O-N 3.15Å; M49-L76 HydrophobicContact SD-CD1 4.46Å
50R84.1Confident86.4Confident48 Ų4859.9 Ų59.918%0.18128%0.278CS..Hα-helixtrans-65-51.8169.6-177.2171.568.1-156.4-2.2110.6R46 I47 I52 R53 T54 G146 A148R46-R50 WeakPolarHBondContact O-CB 3.45Å; R46-R50 PolarHBondContact O-N 3.47Å; I47-R50 PolarHBondContact O-N 2.91Å; R50-I52 VanDerWaalsContact C-N 3.32Å; R50-I52 PolarHBondContact O-N 2.87Å; R50-R53 PolarHBondContact O-N 3.49Å; R50-T54 PolarHBondContact O-N 2.88Å; R50-T54 PolarHBondContact O-OG1 3.13Å; R50-G146 PolarHBondContact NH2-O 3.34Å; R50-A148 WeakPolarHBondContact CD-O 3.41Å; R50-A148 PolarHBondContact NE-O 2.83Å
51E85.9Confident87.2Confident2 Ų255.8 Ų55.81%0.00926%0.261CS..Hα-helixtrans-56-45178.6-171.6176.6152.200111.7K33 F35 I47 A48 R53 T54 L55 L78 F145 G146K33-E51 IonicContact NZ-OE1 3.48Å; K33-E51 PolarHBondContact NZ-OE1 3.2Å; K33-E51 IonicContact NZ-OE2 2.68Å; K33-E51 PolarHBondContact NZ-OE2 2.83Å; F35-E51 WeakPolarHBondContact CZ-OE2 3.38Å; I47-E51 PolarHBondContact O-N 3.45Å; A48-E51 PolarHBondContact O-N 3.35Å; E51-R53 PolarHBondContact O-N 2.94Å; E51-T54 PolarHBondContact O-N 2.83Å; E51-L55 HydrophobicContact CG-CD1 3.64Å; E51-L55 HydrophobicContact CG-CG 4.39Å; E51-L55 VanDerWaalsContact O-CB 3.28Å; E51-L55 WeakPolarHBondContact O-CB 3.43Å; E51-L55 WeakPolarHBondContact O-CD1 3.49Å; E51-L55 VanDerWaalsContact O-CG 3.24Å; E51-L55 WeakPolarHBondContact O-CG 3.2Å; E51-L55 PolarHBondContact O-N 2.78Å; E51-L78 HydrophobicContact CG-CD2 4.24Å; E51-F145 HydrophobicContact CG-CB 4.31Å; E51-G146 WeakPolarHBondContact OE2-CA 3.39Å
52I89.7Confident87.8Confident9 Ų953 Ų535%0.04625%0.247CC..Hα-helixtrans-61.1-41.1175.3-68.3160.9000112.3A48 M49 R50 K56 V69 L76 L78A48-I52 WeakPolarHBondContact O-CB 3.3Å; A48-I52 WeakPolarHBondContact O-CD1 3.27Å; A48-I52 WeakPolarHBondContact O-CG1 3.35Å; A48-I52 PolarHBondContact O-N 3.26Å; M49-I52 HydrophobicContact SD-CD1 3.95Å; R50-I52 VanDerWaalsContact C-N 3.32Å; R50-I52 PolarHBondContact O-N 2.87Å; I52-K56 HydrophobicContact CG2-CD 4.23Å; I52-K56 WeakPolarHBondContact O-CB 3.39Å; I52-K56 VanDerWaalsContact O-CG 3.28Å; I52-K56 WeakPolarHBondContact O-CG 3.38Å; I52-K56 PolarHBondContact O-N 3.25Å; I52-V69 HydrophobicContact CD1-CG1 3.88Å; I52-V69 HydrophobicContact CD1-CG2 4.43Å; I52-V69 HydrophobicContact CG1-CG1 4.42Å; I52-V69 HydrophobicContact CG1-CG2 4.08Å; I52-V69 HydrophobicContact CG2-CG2 4.12Å; I52-L76 HydrophobicContact CD1-CD1 4.29Å; I52-L78 HydrophobicContact CD1-CD1 3.95Å; I52-L78 HydrophobicContact CG1-CD1 3.89Å; I52-L78 HydrophobicContact CG1-CD2 3.97Å; I52-L78 HydrophobicContact CG1-CG 4Å
53R89.3Confident88.3Confident152 Ų15248.5 Ų48.557%0.57422%0.217SC*.Hα-helixtrans-65.9-50.7179.4-74.6164.7-177.1157.10.3110.7M49 R50 E51 K56 Q57M49-R53 WeakPolarHBondContact O-CD 3.47Å; M49-R53 WeakPolarHBondContact O-CG 3.43Å; M49-R53 PolarHBondContact O-N 2.98Å; M49-R53 VanDerWaalsContact O-N 3.15Å; R50-R53 PolarHBondContact O-N 3.49Å; E51-R53 PolarHBondContact O-N 2.94Å; R53-K56 PolarHBondContact O-N 3.44Å; R53-Q57 PolarHBondContact O-N 3Å
54T86.7Confident88.8Confident1 Ų145.3 Ų45.31%0.00620%0.197CC..Hα-helixtrans-60.6-47.9179.5-580000111.6R50 E51 K56 Q57 L58 F145 A148R50-T54 PolarHBondContact O-N 2.88Å; R50-T54 PolarHBondContact O-OG1 3.13Å; E51-T54 PolarHBondContact O-N 2.83Å; T54-K56 PolarHBondContact O-N 2.86Å; T54-Q57 PolarHBondContact O-N 3.19Å; T54-Q57 VanDerWaalsContact O-N 3.15Å; T54-L58 HydrophobicContact CG2-CD1 3.57Å; T54-L58 HydrophobicContact CG2-CG 4.11Å; T54-L58 WeakPolarHBondContact O-CG 3.29Å; T54-L58 PolarHBondContact O-N 2.96Å; T54-F145 HydrophobicContact CG2-CB 4.37Å; T54-F145 HydrophobicContact CG2-CD1 3.58Å; T54-F145 HydrophobicContact CG2-CE1 4.27Å; T54-F145 HydrophobicContact CG2-CG 4.28Å; T54-A148 HydrophobicContact CG2-CB 4.18Å
55L89.3Confident89.2Confident4 Ų446.6 Ų46.62%0.02120%0.204CC..Hα-helixtrans-69.4-15.2178.9-70.7168.3000115E51 K59 I64 L66 L78 F80 F145E51-L55 HydrophobicContact CG-CD1 3.64Å; E51-L55 HydrophobicContact CG-CG 4.39Å; E51-L55 VanDerWaalsContact O-CB 3.28Å; E51-L55 WeakPolarHBondContact O-CB 3.43Å; E51-L55 WeakPolarHBondContact O-CD1 3.49Å; E51-L55 VanDerWaalsContact O-CG 3.24Å; E51-L55 WeakPolarHBondContact O-CG 3.2Å; E51-L55 PolarHBondContact O-N 2.78Å; L55-K59 WeakPolarHBondContact O-CE 3.35Å; L55-K59 PolarHBondContact O-NZ 3.34Å; L55-I64 HydrophobicContact CD2-CG2 4.25Å; L55-L66 HydrophobicContact CB-CB 3.81Å; L55-L66 HydrophobicContact CB-CD2 3.71Å; L55-L66 HydrophobicContact CB-CG 4.4Å; L55-L66 HydrophobicContact CD1-CB 4.29Å; L55-L66 HydrophobicContact CD1-CD2 4.24Å; L55-L78 HydrophobicContact CD1-CD2 4.24Å; L55-F80 HydrophobicContact CD1-CE1 3.61Å; L55-F80 HydrophobicContact CD1-CZ 3.69Å; L55-F80 HydrophobicContact CD2-CE1 4.32Å; L55-F145 HydrophobicContact CD2-CB 4.33Å; L55-F145 HydrophobicContact CD2-CD2 3.64Å; L55-F145 HydrophobicContact CD2-CE2 4.24Å; L55-F145 HydrophobicContact CD2-CG 4.12Å; L55-F145 HydrophobicContact CG-CB 4.3Å; L55-F145 HydrophobicContact CG-CD2 4.5Å
56K89.6Confident89.5Confident138 Ų13843.7 Ų43.760%0.619%0.191SC*.Hα-helixtrans-80.7-38.2169.8-82.3179.8174.9-170.40111.8I52 R53 T54I52-K56 HydrophobicContact CG2-CD 4.23Å; I52-K56 WeakPolarHBondContact O-CB 3.39Å; I52-K56 VanDerWaalsContact O-CG 3.28Å; I52-K56 WeakPolarHBondContact O-CG 3.38Å; I52-K56 PolarHBondContact O-N 3.25Å; R53-K56 PolarHBondContact O-N 3.44Å; T54-K56 PolarHBondContact O-N 2.86Å
57Q88.1Confident89.9Confident118 Ų11840 Ų4055%0.55118%0.183SC*.Hα-helixtrans-77.3-42.9179.6-69.5170.7-27.100112R53 T54 K59R53-Q57 PolarHBondContact O-N 3Å; T54-Q57 PolarHBondContact O-N 3.19Å; T54-Q57 VanDerWaalsContact O-N 3.15Å; Q57-K59 PolarHBondContact O-N 3.41Å
58L90.1Very high90.4Very high8 Ų841.6 Ų41.64%0.04219%0.19CC..  trans-84.5113.1-176.9-58.3-176.8000111.6T54 L63 F116 H120 C122 F145T54-L58 HydrophobicContact CG2-CD1 3.57Å; T54-L58 HydrophobicContact CG2-CG 4.11Å; T54-L58 WeakPolarHBondContact O-CG 3.29Å; T54-L58 PolarHBondContact O-N 2.96Å; L58-L63 HydrophobicContact CB-CD1 3.85Å; L58-L63 HydrophobicContact CD1-CD1 4.32Å; L58-F116 HydrophobicContact CB-CE1 4.11Å; L58-F116 HydrophobicContact CD2-CD1 4.28Å; L58-F116 HydrophobicContact CD2-CE1 3.88Å; L58-H120 HydrophobicContact CD2-CB 3.47Å; L58-H120 VanDerWaalsContact CD2-CB 3.47Å; L58-C122 HydrophobicContact CD1-CB 4.22Å; L58-F145 HydrophobicContact CD1-CD1 4Å; L58-F145 HydrophobicContact CD1-CE1 3.39Å; L58-F145 HydrophobicContact CD1-CZ 4.06Å
59K92.8Very high90.8Very high75 Ų7544 Ų4433%0.32621%0.205SC..  trans-132106178.3-63.5-59.8179-160.40110.2L55 Q57 N65 L66 F116 Y316L55-K59 WeakPolarHBondContact O-CE 3.35Å; L55-K59 PolarHBondContact O-NZ 3.34Å; Q57-K59 PolarHBondContact O-N 3.41Å; K59-N65 PolarHBondContact NZ-OD1 2.95Å; K59-L66 PolarHBondContact NZ-O 2.92Å; K59-F116 VanDerWaalsContact O-CZ 3.24Å; K59-F116 WeakPolarHBondContact O-CZ 3.39Å; K59-Y316 HydrophobicContact CB-CE1 4.26Å
60H94.3Very high91.1Very high27 Ų2743 Ų4313%0.12520%0.199CC..  trans-155.2142.6-173.7-180-99.1000109.6N62 L63 F116 Y316H60-N62 VanDerWaalsContact C-N 3.26Å; H60-N62 PolarHBondContact CE1-OD1 2.91Å; H60-N62 VanDerWaalsContact CE1-OD1 3.22Å; H60-N62 PolarHBondContact ND1-N 2.76Å; H60-N62 PolarHBondContact O-N 2.98Å; H60-L63 HydrophobicContact CB-CB 4.45Å; H60-L63 HydrophobicContact CB-CD1 4.05Å; H60-L63 HydrophobicContact CB-CG 4.01Å; H60-L63 PolarHBondContact O-N 2.86Å; H60-F116 HydrophobicContact CB-CB 4.44Å; H60-F116 HydrophobicContact CB-CD1 3.71Å; H60-F116 HydrophobicContact CB-CD2 3.97Å; H60-F116 HydrophobicContact CB-CE1 3.87Å; H60-F116 HydrophobicContact CB-CE2 4.1Å; H60-F116 HydrophobicContact CB-CG 3.76Å; H60-F116 HydrophobicContact CB-CZ 4.07Å; H60-F116 AromaticContact CD2-CD2 3.52Å; H60-F116 AromaticContact CD2-CG 3.74Å; H60-F116 AromaticContact CG-CD2 3.94Å; H60-F116 AromaticContact CG-CG 3.77Å; H60-Y316 PolarHBondContact O-OH 3.08Å
61P94.3Very high91.4Very high30 Ų3046.7 Ų46.720%0.19522%0.217CC..THydrogen-bonded Turntrans-56.6-34.8-17619.9-33.9000114.3L63 Q139 K141 Y309 Y316P61-L63 VanDerWaalsContact C-N 3.3Å; P61-L63 PolarHBondContact O-N 3.37Å; P61-Q139 PolarHBondContact O-NE2 2.91Å; P61-K141 PolarHBondContact O-NZ 2.93Å; P61-K141 VanDerWaalsContact O-NZ 3.08Å; P61-Y309 HydrophobicContact CB-CD1 3.89Å; P61-Y309 HydrophobicContact CB-CE1 3.95Å; P61-Y309 HydrophobicContact CB-CG 4.43Å; P61-Y309 HydrophobicContact CG-CE1 4.42Å; P61-Y316 HydrophobicContact CB-CE2 4.13Å
62N96.1Very high91.5Very high0 Ų051.2 Ų51.20%023%0.234CC..THydrogen-bonded Turntrans-87.612.5178.4-52.5106.1000115H60 Q109 A113 L140 K141 L142 Y309H60-N62 VanDerWaalsContact C-N 3.26Å; H60-N62 PolarHBondContact CE1-OD1 2.91Å; H60-N62 VanDerWaalsContact CE1-OD1 3.22Å; H60-N62 PolarHBondContact ND1-N 2.76Å; H60-N62 PolarHBondContact O-N 2.98Å; N62-Q109 WeakPolarHBondContact ND2-CB 3.43Å; N62-Q109 PolarHBondContact ND2-OE1 2.9Å; N62-A113 HydrophobicContact CB-CB 3.88Å; N62-L140 WeakPolarHBondContact CA-O 3.24Å; N62-L140 WeakPolarHBondContact CB-O 3.47Å; N62-L140 PolarHBondContact ND2-O 2.89Å; N62-L140 VanDerWaalsContact ND2-O 3.11Å; N62-K141 CarbonylContact O-C 3.6Å; N62-K141 WeakPolarHBondContact O-CA 3.37Å; N62-L142 PolarHBondContact O-N 3.39Å; N62-Y309 WeakPolarHBondContact ND2-CE1 3.49Å; N62-Y309 PolarHBondContact ND2-OH 3.38Å; N62-Y309 VanDerWaalsContact ND2-OH 3.17Å; N62-Y309 PolarHBondContact OD1-OH 2.87Å
63L95.5Very high91.3Very high3 Ų359.7 Ų59.72%0.01627%0.27CS..BIsolated β-bridgetrans-110.9152.8170.1-61.9-174.5000110.2L58 H60 P61 N65 A113 F116 L142 F145L58-L63 HydrophobicContact CB-CD1 3.85Å; L58-L63 HydrophobicContact CD1-CD1 4.32Å; H60-L63 HydrophobicContact CB-CB 4.45Å; H60-L63 HydrophobicContact CB-CD1 4.05Å; H60-L63 HydrophobicContact CB-CG 4.01Å; H60-L63 PolarHBondContact O-N 2.86Å; P61-L63 VanDerWaalsContact C-N 3.3Å; P61-L63 PolarHBondContact O-N 3.37Å; L63-N65 PolarHBondContact O-N 2.95Å; L63-A113 HydrophobicContact CD2-CB 3.67Å; L63-F116 HydrophobicContact CD1-CD1 3.92Å; L63-F116 HydrophobicContact CD1-CE1 4.3Å; L63-L142 HydrophobicContact CD2-CB 3.91Å; L63-L142 HydrophobicContact CD2-CD2 4.3Å; L63-F145 HydrophobicContact CD1-CZ 4.03Å; L63-F145 HydrophobicContact CD2-CE2 4.2Å; L63-F145 HydrophobicContact CD2-CZ 3.74Å; L63-F145 HydrophobicContact CG-CZ 4.39Å
64I93.8Very high91.1Very high8 Ų858.3 Ų58.34%0.04127%0.265CS..  trans-70.2123.5173.2-163.960000110.3L55 L66 F80 Q81 V83 L133 K141 L142 C143L55-I64 HydrophobicContact CD2-CG2 4.25Å; I64-L66 PolarHBondContact O-N 3.01Å; I64-F80 HydrophobicContact CG1-CB 4.09Å; I64-F80 HydrophobicContact CG1-CD1 3.76Å; I64-F80 HydrophobicContact CG1-CG 4.23Å; I64-F80 HydrophobicContact CG2-CD1 4.07Å; I64-F80 HydrophobicContact CG2-CE1 4.02Å; I64-Q81 HydrophobicContact CD1-CG 3.62Å; I64-V83 HydrophobicContact CD1-CG2 3.84Å; I64-L133 HydrophobicContact CD1-CD1 3.92Å; I64-L133 HydrophobicContact CG1-CD1 4.29Å; I64-K141 HydrophobicContact CD1-CD 4.31Å; I64-L142 PolarHBondContact N-O 3.07Å; I64-C143 HydrophobicContact CB-CB 3.91Å; I64-C143 HydrophobicContact CG1-CB 4.47Å; I64-C143 HydrophobicContact CG2-CB 3.57Å
65N88.1Confident91.1Very high46 Ų4661.7 Ų61.725%0.24628%0.277CS..  trans-84119.5-178.8-168.418.3000111.2K59 L63 I67K59-N65 PolarHBondContact NZ-OD1 2.95Å; L63-N65 PolarHBondContact O-N 2.95Å; N65-I67 PolarHBondContact O-N 3.04Å
66L92.5Very high91.2Very high12 Ų1262.3 Ų62.36%0.06328%0.281CS..EExtended strand (participates in β ladder)trans-71.1110.1166.1178.465.9000109.3L55 K59 I64 E68 V69 L78 F80L55-L66 HydrophobicContact CB-CB 3.81Å; L55-L66 HydrophobicContact CB-CD2 3.71Å; L55-L66 HydrophobicContact CB-CG 4.4Å; L55-L66 HydrophobicContact CD1-CB 4.29Å; L55-L66 HydrophobicContact CD1-CD2 4.24Å; K59-L66 PolarHBondContact NZ-O 2.92Å; I64-L66 PolarHBondContact O-N 3.01Å; L66-E68 WeakPolarHBondContact CD1-O 3.48Å; L66-V69 HydrophobicContact CD1-CG2 4.06Å; L66-V69 HydrophobicContact CD2-CG2 3.84Å; L66-V69 HydrophobicContact CG-CG2 4.27Å; L66-L78 HydrophobicContact CD1-CB 3.74Å; L66-L78 HydrophobicContact CD1-CD2 4.28Å; L66-L78 HydrophobicContact CD1-CG 3.91Å; L66-F80 HydrophobicContact CB-CD1 4.35Å; L66-F80 HydrophobicContact CB-CE1 4.09Å; L66-F80 HydrophobicContact CD1-CD1 4.4Å; L66-F80 HydrophobicContact CD1-CE1 4.03Å; L66-F80 HydrophobicContact CD1-CZ 4.1Å
67I92.5Very high91.3Very high92 Ų9256.1 Ų56.147%0.47225%0.254SS..EExtended strand (participates in β ladder)trans-76.2-56.4-179.5-58.8177000109.8V30 N65 V79 Q81V30-I67 HydrophobicContact CG1-CD1 4.29Å; N65-I67 PolarHBondContact O-N 3.04Å; I67-V79 HydrophobicContact CB-CG1 4.44Å; I67-V79 WeakPolarHBondContact CB-O 3.45Å; I67-V79 PolarHBondContact N-O 2.6Å; I67-Q81 HydrophobicContact CD1-CB 4.42Å
68E92.8Very high91.6Very high46 Ų4650.5 Ų50.522%0.21523%0.228CC..EExtended strand (participates in β ladder)trans-150.7167.9178.169.8165.8-14700113.2R3 Y4 L66 F70 V79R3-E68 IonicContact CZ-OE1 2.65Å; R3-E68 IonicContact CZ-OE2 3.18Å; R3-E68 IonicContact NH1-OE2 3.4Å; R3-E68 IonicContact NH2-OE1 3.59Å; R3-E68 PolarHBondContact NH2-OE1 2.85Å; R3-E68 IonicContact NH2-OE2 2.68Å; R3-E68 PolarHBondContact NH2-OE2 3.2Å; Y4-E68 WeakPolarHBondContact CE2-OE1 3.27Å; Y4-E68 PolarHBondContact OH-OE1 2.79Å; L66-E68 WeakPolarHBondContact CD1-O 3.48Å; E68-F70 VanDerWaalsContact OE1-CD1 3.32Å; E68-F70 WeakPolarHBondContact OE1-CD1 3.46Å; E68-V79 HydrophobicContact CG-CB 3.75Å; E68-V79 HydrophobicContact CG-CG1 4.47Å; E68-V79 HydrophobicContact CG-CG2 3.62Å; E68-V79 PolarHBondContact N-O 2.85Å; E68-V79 PolarHBondContact O-N 2.91Å
69V93.6Very high91.8Very high52 Ų5250.1 Ų50.132%0.31523%0.226SC..EExtended strand (participates in β ladder)trans-130.1131.5173.1-177.70000108.4I52 L66 H77 L78I52-V69 HydrophobicContact CD1-CG1 3.88Å; I52-V69 HydrophobicContact CD1-CG2 4.43Å; I52-V69 HydrophobicContact CG1-CG1 4.42Å; I52-V69 HydrophobicContact CG1-CG2 4.08Å; I52-V69 HydrophobicContact CG2-CG2 4.12Å; L66-V69 HydrophobicContact CD1-CG2 4.06Å; L66-V69 HydrophobicContact CD2-CG2 3.84Å; L66-V69 HydrophobicContact CG-CG2 4.27Å; V69-H77 WeakPolarHBondContact CA-O 3.25Å; V69-L78 HydrophobicContact CG1-CD1 4.32Å; V69-L78 HydrophobicContact CG2-CG 4.27Å
70F93.4Very high91.9Very high33 Ų3347.3 Ų47.315%0.14521%0.213CC..EExtended strand (participates in β ladder)trans-137.4155.1170.566.8-98.5000112.3M1 Y4 E68 R72 H77 V79M1-F70 HydrophobicContact CB-CE2 4.31Å; M1-F70 HydrophobicContact CB-CZ 4.38Å; M1-F70 HydrophobicContact CG-CE2 3.7Å; M1-F70 HydrophobicContact CG-CZ 3.69Å; M1-F70 HydrophobicContact SD-CE2 4.26Å; M1-F70 HydrophobicContact SD-CZ 3.62Å; Y4-F70 HydrophobicContact CD2-CE1 4.02Å; Y4-F70 HydrophobicContact CD2-CZ 4.43Å; Y4-F70 HydrophobicContact CE2-CD1 4.45Å; Y4-F70 AromaticContact CE2-CE1 3.8Å; Y4-F70 HydrophobicContact CE2-CE1 3.8Å; E68-F70 VanDerWaalsContact OE1-CD1 3.32Å; E68-F70 WeakPolarHBondContact OE1-CD1 3.46Å; F70-R72 HydrophobicContact CD2-CB 4.4Å; F70-R72 HydrophobicContact CE2-CB 4.36Å; F70-H77 HydrophobicContact CD1-CB 4.38Å; F70-H77 HydrophobicContact CD2-CB 3.9Å; F70-H77 HydrophobicContact CE1-CB 3.98Å; F70-H77 HydrophobicContact CE2-CB 3.4Å; F70-H77 VanDerWaalsContact CE2-CB 3.4Å; F70-H77 AromaticContact CE2-CD2 3.71Å; F70-H77 AromaticContact CE2-CG 3.38Å; F70-H77 AromaticContact CE2-ND1 3.79Å; F70-H77 HydrophobicContact CG-CB 4.33Å; F70-H77 HydrophobicContact CZ-CB 3.44Å; F70-H77 VanDerWaalsContact CZ-CB 3.44Å; F70-H77 AromaticContact CZ-CD2 3.89Å; F70-H77 AromaticContact CZ-CG 3.75Å; F70-H77 PolarHBondContact N-O 3.39Å; F70-H77 PolarHBondContact O-N 2.81Å; F70-V79 HydrophobicContact CD1-CG2 4.09Å; F70-V79 HydrophobicContact CE1-CG2 3.64Å
71K90.9Very high91.8Very high124 Ų12447.8 Ų47.854%0.53922%0.216SC..EExtended strand (participates in β ladder)trans-102.3135173.1175.5177.1165.2176.30109.3E39E39-K71 VanDerWaalsContact CD-CE 3.48Å; E39-K71 WeakPolarHBondContact OE1-CE 3.36Å; E39-K71 IonicContact OE1-NZ 3.95Å; E39-K71 PolarHBondContact OE1-NZ 3.22Å; E39-K71 VanDerWaalsContact OE2-CE 3.24Å; E39-K71 WeakPolarHBondContact OE2-CE 3.45Å; E39-K71 IonicContact OE2-NZ 3.65Å; E39-K71 PolarHBondContact OE2-NZ 3.18Å; E39-K71 VanDerWaalsContact OE2-NZ 3.07Å
72R88.1Confident91.7Very high98 Ų9849.3 Ų49.337%0.3722%0.218SC..EExtended strand (participates in β ladder)trans-147.3134.3169.7-179.1177.4-177.8106.6-25110.1D2 F70 R74 R75D2-R72 IonicContact OD1-CZ 3.77Å; D2-R72 IonicContact OD1-NH1 2.67Å; D2-R72 PolarHBondContact OD1-NH1 3.5Å; D2-R72 IonicContact OD1-NH2 2.62Å; D2-R72 PolarHBondContact OD1-NH2 3.41Å; D2-R72 IonicContact OD2-CZ 2.74Å; D2-R72 IonicContact OD2-NH1 3.92Å; D2-R72 PolarHBondContact OD2-NH1 2.97Å; D2-R72 IonicContact OD2-NH2 3.94Å; F70-R72 HydrophobicContact CD2-CB 4.4Å; F70-R72 HydrophobicContact CE2-CB 4.36Å; R72-R74 PolarHBondContact O-N 3Å; R72-R75 PolarHBondContact N-O 3.43Å; R72-R75 PolarHBondContact O-N 3.32Å; R72-R75 VanDerWaalsContact O-N 3.08Å
73K86.5Confident91.6Very high187 Ų18750 Ų5081%0.81322%0.223SC*.THydrogen-bonded Turntrans44.360-178.2-66-169174.7-165.80111.5R75K73-R75 PolarHBondContact O-N 2.97Å
74R83.5Confident91.2Very high122 Ų12252.5 Ų52.546%0.4624%0.236SC..THydrogen-bonded Turntrans56.18.1-178-59.7-165.770.7-168.36.4117.7E39 E40 R72E39-R74 HydrophobicContact CB-CB 4.42Å; E39-R74 VanDerWaalsContact CG-O 3.29Å; E39-R74 WeakPolarHBondContact CG-O 3.48Å; E39-R74 PolarHBondContact O-NH2 3.4Å; E39-R74 WeakPolarHBondContact OE2-CA 3.44Å; E39-R74 WeakPolarHBondContact OE2-CB 3.4Å; E39-R74 IonicContact OE2-NE 2.66Å; E39-R74 PolarHBondContact OE2-NE 3.42Å; E40-R74 IonicContact OE1-CZ 2.73Å; E40-R74 IonicContact OE1-NE 2.58Å; E40-R74 IonicContact OE1-NH1 3.07Å; E40-R74 PolarHBondContact OE1-NH1 2.97Å; R72-R74 PolarHBondContact O-N 3Å
75R86.9Confident91Very high72 Ų7253.9 Ų53.927%0.27224%0.242SC..EExtended strand (participates in β ladder)trans-116.7135.6-177.5-67.5-177.7-174.5-175.312112.4K34 F35 D37 R72 K73 H77K34-R75 VanDerWaalsContact CE-CD 3.49Å; F35-R75 WeakPolarHBondContact O-CB 3.34Å; F35-R75 WeakPolarHBondContact O-CD 3.3Å; D37-R75 IonicContact OD1-CZ 3.78Å; D37-R75 IonicContact OD1-NE 2.68Å; D37-R75 PolarHBondContact OD1-NE 3.24Å; D37-R75 IonicContact OD1-NH1 3.34Å; D37-R75 IonicContact OD1-NH2 3.5Å; D37-R75 PolarHBondContact OD1-NH2 3.04Å; D37-R75 IonicContact OD2-CZ 3.72Å; D37-R75 IonicContact OD2-NH2 3.59Å; R72-R75 PolarHBondContact N-O 3.43Å; R72-R75 PolarHBondContact O-N 3.32Å; R72-R75 VanDerWaalsContact O-N 3.08Å; K73-R75 PolarHBondContact O-N 2.97Å; R75-H77 PolarHBondContact O-CE1 2.81Å; R75-H77 PolarHBondContact O-ND1 3.28Å
76L91.8Very high91.3Very high17 Ų1752.7 Ų52.79%0.08924%0.236CC..EExtended strand (participates in β ladder)trans-74.2138.5174.2-68.7173.5000110.6F35 S38 A48 M49 I52F35-L76 HydrophobicContact CB-CB 4.48Å; F35-L76 HydrophobicContact CD2-CB 4.4Å; F35-L76 PolarHBondContact N-O 2.89Å; S38-L76 PolarHBondContact OG-N 3.26Å; A48-L76 HydrophobicContact CB-CD1 3.75Å; M49-L76 HydrophobicContact SD-CD1 4.46Å; I52-L76 HydrophobicContact CD1-CD1 4.29Å
77H92.6Very high91.5Very high9 Ų952.2 Ų52.24%0.04223%0.234CC..EExtended strand (participates in β ladder)trans-129.2121.4176.3-60.164000108.2I32 K33 V69 F70 R75I32-H77 HydrophobicContact CG2-CB 3.96Å; K33-H77 WeakPolarHBondContact O-CA 3.34Å; V69-H77 WeakPolarHBondContact CA-O 3.25Å; F70-H77 HydrophobicContact CD1-CB 4.38Å; F70-H77 HydrophobicContact CD2-CB 3.9Å; F70-H77 HydrophobicContact CE1-CB 3.98Å; F70-H77 HydrophobicContact CE2-CB 3.4Å; F70-H77 VanDerWaalsContact CE2-CB 3.4Å; F70-H77 AromaticContact CE2-CD2 3.71Å; F70-H77 AromaticContact CE2-CG 3.38Å; F70-H77 AromaticContact CE2-ND1 3.79Å; F70-H77 HydrophobicContact CG-CB 4.33Å; F70-H77 HydrophobicContact CZ-CB 3.44Å; F70-H77 VanDerWaalsContact CZ-CB 3.44Å; F70-H77 AromaticContact CZ-CD2 3.89Å; F70-H77 AromaticContact CZ-CG 3.75Å; F70-H77 PolarHBondContact N-O 3.39Å; F70-H77 PolarHBondContact O-N 2.81Å; R75-H77 PolarHBondContact O-CE1 2.81Å; R75-H77 PolarHBondContact O-ND1 3.28Å
78L93.6Very high91.5Very high0 Ų049.1 Ų49.10%022%0.218CC..EExtended strand (participates in β ladder)trans-102.2130.5174.3-77.758.4000108I32 K33 F35 E51 I52 L55 L66 V69 F80I32-L78 CarbonylContact C-O 3.56Å; I32-L78 WeakPolarHBondContact CA-O 3.47Å; K33-L78 HydrophobicContact CB-CB 4.45Å; K33-L78 PolarHBondContact N-O 2.93Å; K33-L78 PolarHBondContact O-N 2.86Å; F35-L78 HydrophobicContact CD2-CD1 3.99Å; F35-L78 HydrophobicContact CE2-CD1 3.63Å; F35-L78 HydrophobicContact CE2-CD2 4.02Å; F35-L78 HydrophobicContact CE2-CG 4.37Å; E51-L78 HydrophobicContact CG-CD2 4.24Å; I52-L78 HydrophobicContact CD1-CD1 3.95Å; I52-L78 HydrophobicContact CG1-CD1 3.89Å; I52-L78 HydrophobicContact CG1-CD2 3.97Å; I52-L78 HydrophobicContact CG1-CG 4Å; L55-L78 HydrophobicContact CD1-CD2 4.24Å; L66-L78 HydrophobicContact CD1-CB 3.74Å; L66-L78 HydrophobicContact CD1-CD2 4.28Å; L66-L78 HydrophobicContact CD1-CG 3.91Å; V69-L78 HydrophobicContact CG1-CD1 4.32Å; V69-L78 HydrophobicContact CG2-CG 4.27Å; L78-F80 HydrophobicContact CB-CD2 4.37Å; L78-F80 HydrophobicContact CB-CE2 3.56Å; L78-F80 HydrophobicContact CB-CZ 3.97Å; L78-F80 HydrophobicContact CD2-CE2 4.31Å; L78-F80 HydrophobicContact CD2-CZ 3.98Å
79V94.7Very high91.4Very high0 Ų051.8 Ų51.80%023%0.23CC..EExtended strand (participates in β ladder)trans-107127.2-179.8-173.90000109.8Y4 V30 I32 I67 E68 F70Y4-V79 HydrophobicContact CE1-CG1 4.28Å; Y4-V79 HydrophobicContact CE2-CG2 4.12Å; V30-V79 HydrophobicContact CB-CG1 3.88Å; V30-V79 HydrophobicContact CG1-CG1 4.1Å; V30-V79 HydrophobicContact CG2-CG1 4.05Å; I32-V79 HydrophobicContact CD1-CG2 4.21Å; I32-V79 HydrophobicContact CG1-CG1 4.37Å; I32-V79 HydrophobicContact CG1-CG2 4.18Å; I67-V79 HydrophobicContact CB-CG1 4.44Å; I67-V79 WeakPolarHBondContact CB-O 3.45Å; I67-V79 PolarHBondContact N-O 2.6Å; E68-V79 HydrophobicContact CG-CB 3.75Å; E68-V79 HydrophobicContact CG-CG1 4.47Å; E68-V79 HydrophobicContact CG-CG2 3.62Å; E68-V79 PolarHBondContact N-O 2.85Å; E68-V79 PolarHBondContact O-N 2.91Å; F70-V79 HydrophobicContact CD1-CG2 4.09Å; F70-V79 HydrophobicContact CE1-CG2 3.64Å
80F94.5Very high91.4Very high15 Ų1551.1 Ų51.17%0.06622%0.224CC..EExtended strand (participates in β ladder)trans-124.7159.7179.8-58.3-88.8000110.4V30 A31 K33 L55 I64 L66 L78 Y82V30-F80 CarbonylContact C-O 3.47Å; V30-F80 WeakPolarHBondContact CA-O 3.46Å; V30-F80 VanDerWaalsContact CB-O 3.3Å; V30-F80 WeakPolarHBondContact CB-O 3.21Å; A31-F80 HydrophobicContact CB-CB 4.43Å; A31-F80 PolarHBondContact N-O 2.88Å; A31-F80 PolarHBondContact O-N 2.88Å; K33-F80 HydrophobicContact CB-CE2 3.99Å; L55-F80 HydrophobicContact CD1-CE1 3.61Å; L55-F80 HydrophobicContact CD1-CZ 3.69Å; L55-F80 HydrophobicContact CD2-CE1 4.32Å; I64-F80 HydrophobicContact CG1-CB 4.09Å; I64-F80 HydrophobicContact CG1-CD1 3.76Å; I64-F80 HydrophobicContact CG1-CG 4.23Å; I64-F80 HydrophobicContact CG2-CD1 4.07Å; I64-F80 HydrophobicContact CG2-CE1 4.02Å; L66-F80 HydrophobicContact CB-CD1 4.35Å; L66-F80 HydrophobicContact CB-CE1 4.09Å; L66-F80 HydrophobicContact CD1-CD1 4.4Å; L66-F80 HydrophobicContact CD1-CE1 4.03Å; L66-F80 HydrophobicContact CD1-CZ 4.1Å; L78-F80 HydrophobicContact CB-CD2 4.37Å; L78-F80 HydrophobicContact CB-CE2 3.56Å; L78-F80 HydrophobicContact CB-CZ 3.97Å; L78-F80 HydrophobicContact CD2-CE2 4.31Å; L78-F80 HydrophobicContact CD2-CZ 3.98Å; F80-Y82 PolarHBondContact O-N 2.81Å
81Q91.8Very high91.4Very high37 Ų3749.6 Ų49.617%0.17322%0.217CC..EExtended strand (participates in β ladder)trans-57.8139.5163.571.3-165.8125.300109.3I64 I67 V83 K141I64-Q81 HydrophobicContact CD1-CG 3.62Å; I67-Q81 HydrophobicContact CD1-CB 4.42Å; Q81-V83 HydrophobicContact CG-CG2 4.19Å; Q81-K141 VanDerWaalsContact OE1-CE 3.29Å
82Y93.1Very high91.3Very high63 Ų6347.5 Ų47.525%0.24721%0.209CC..  trans-75.9139.3169.6178.4-103.4000109.6I10 K20 I29 F80I10-Y82 HydrophobicContact CD1-CD2 4.03Å; I10-Y82 HydrophobicContact CD1-CE2 3.88Å; K20-Y82 HydrophobicContact CB-CE2 4.42Å; K20-Y82 HydrophobicContact CD-CD2 4.2Å; K20-Y82 HydrophobicContact CD-CE1 4.26Å; K20-Y82 HydrophobicContact CD-CE2 3.7Å; K20-Y82 VanDerWaalsContact CE-CE1 3.42Å; K20-Y82 HydrophobicContact CG-CD2 4Å; K20-Y82 HydrophobicContact CG-CE2 3.97Å; K20-Y82 PolarHBondContact NZ-OH 2.95Å; I29-Y82 HydrophobicContact CB-CD1 4.48Å; I29-Y82 HydrophobicContact CG2-CD1 3.71Å; I29-Y82 HydrophobicContact CG2-CD2 4.45Å; I29-Y82 HydrophobicContact CG2-CE1 4.48Å; I29-Y82 HydrophobicContact CG2-CG 3.69Å; I29-Y82 VanDerWaalsContact O-CB 3.27Å; I29-Y82 WeakPolarHBondContact O-CB 3.33Å; I29-Y82 PolarHBondContact O-N 3.33Å; F80-Y82 PolarHBondContact O-N 2.81Å
83V92.8Very high91.5Very high15 Ų1548.8 Ų48.89%0.09122%0.217CC..  trans-121.5143.1175.9-1760000107.9I64 Q81 H85 L133 I134 T135 K141I64-V83 HydrophobicContact CD1-CG2 3.84Å; Q81-V83 HydrophobicContact CG-CG2 4.19Å; V83-H85 PolarHBondContact O-N 3.02Å; V83-L133 HydrophobicContact CB-CB 3.91Å; V83-L133 HydrophobicContact CB-CD1 4.15Å; V83-L133 HydrophobicContact CG1-CB 3.66Å; V83-L133 HydrophobicContact CG2-CB 4.25Å; V83-L133 HydrophobicContact CG2-CD1 4.06Å; V83-I134 VanDerWaalsContact CG1-O 3.28Å; V83-I134 WeakPolarHBondContact CG1-O 3.44Å; V83-T135 HydrophobicContact CG1-CG2 4Å; V83-K141 HydrophobicContact CG2-CD 3.97Å
84D86.7Confident91.7Very high54 Ų5443.6 Ų43.629%0.28920%0.196SC..SBendtrans-64.3-40.2-162.9-63.2-78.9000114.5K136D84-K136 HydrophobicContact CB-CG 4.36Å; D84-K136 VanDerWaalsContact OD1-CE 3.32Å; D84-K136 WeakPolarHBondContact OD1-CE 3.31Å; D84-K136 IonicContact OD1-NZ 3.04Å; D84-K136 PolarHBondContact OD1-NZ 2.8Å; D84-K136 WeakPolarHBondContact OD2-CG 3.33Å; D84-K136 PolarHBondContact OD2-N 3Å
85H91.1Very high92Very high37 Ų3742.8 Ų42.817%0.17121%0.205CC..EExtended strand (participates in β ladder)trans-156.1174-176.864-58.7000111.8V83 H89 E90 L133 I134V83-H85 PolarHBondContact O-N 3.02Å; H85-H89 HydrophobicContact CB-CB 4.15Å; H85-E90 IonicContact CD2-OE2 3.69Å; H85-E90 PolarHBondContact CD2-OE2 2.74Å; H85-E90 VanDerWaalsContact CD2-OE2 3.28Å; H85-E90 IonicContact NE2-OE2 3.65Å; H85-E90 PolarHBondContact NE2-OE2 2.82Å; H85-L133 WeakPolarHBondContact O-CA 3.41Å; H85-I134 PolarHBondContact CE1-O 2.98Å; H85-I134 VanDerWaalsContact CE1-O 3.27Å; H85-I134 PolarHBondContact N-O 3.42Å; H85-I134 PolarHBondContact ND1-O 2.9Å; H85-I134 PolarHBondContact O-N 2.94Å
86T94.2Very high92.2Very high22 Ų2248.2 Ų48.214%0.13523%0.23CC..EExtended strand (participates in β ladder)trans-106.8163.8171.777.60000110.8L88 H89 E90 I132 L133T86-L88 PolarHBondContact O-N 3.03Å; T86-L88 PolarHBondContact OG1-N 3.36Å; T86-H89 WeakPolarHBondContact O-CB 3.45Å; T86-H89 PolarHBondContact O-N 3.23Å; T86-H89 PolarHBondContact OG1-N 2.96Å; T86-H89 PolarHBondContact OG1-ND1 2.66Å; T86-E90 PolarHBondContact O-N 2.92Å; T86-I132 CarbonylContact C-O 3.6Å; T86-I132 VanDerWaalsContact CA-O 3.22Å; T86-I132 WeakPolarHBondContact CA-O 3.4Å; T86-I132 WeakPolarHBondContact CB-O 3.47Å; T86-L133 HydrophobicContact CG2-CD2 3.73Å
87L96.1Very high92.2Very high2 Ų247.9 Ų47.91%0.0123%0.231CC..Hα-helixtrans-57.8-37.3172.5178.560.2000111.5H89 E90 L91 L98 L106 P129 I132 I134 V191 M195L87-H89 VanDerWaalsContact C-N 3.3Å; L87-H89 PolarHBondContact O-N 2.74Å; L87-E90 WeakPolarHBondContact O-CA 3.42Å; L87-E90 WeakPolarHBondContact O-CB 3.17Å; L87-E90 PolarHBondContact O-N 2.83Å; L87-L91 HydrophobicContact CD1-CG 4.29Å; L87-L91 HydrophobicContact CG-CD1 4.06Å; L87-L91 HydrophobicContact CG-CG 4.3Å; L87-L91 VanDerWaalsContact O-CG 3.31Å; L87-L91 WeakPolarHBondContact O-CG 3.31Å; L87-L91 PolarHBondContact O-N 2.79Å; L87-L98 HydrophobicContact CD1-CD1 3.86Å; L87-L106 HydrophobicContact CD1-CD1 4.1Å; L87-P129 HydrophobicContact CB-CB 4.15Å; L87-P129 HydrophobicContact CD2-CB 4.23Å; L87-P129 HydrophobicContact CG-CB 4.07Å; L87-P129 PolarHBondContact N-O 2.68Å; L87-I132 HydrophobicContact CB-CB 3.93Å; L87-I132 HydrophobicContact CB-CG2 3.84Å; L87-I132 HydrophobicContact CD2-CB 4.37Å; L87-I132 HydrophobicContact CD2-CD1 3.96Å; L87-I132 HydrophobicContact CD2-CG2 4.16Å; L87-I132 PolarHBondContact N-O 3.01Å; L87-I134 HydrophobicContact CB-CD1 4.08Å; L87-I134 HydrophobicContact CD1-CD1 4Å; L87-V191 HydrophobicContact CD2-CG1 3.68Å; L87-M195 HydrophobicContact CD1-CG 4.01Å; L87-M195 HydrophobicContact CD1-SD 3.92Å; L87-M195 HydrophobicContact CD2-CG 3.95Å; L87-M195 HydrophobicContact CD2-SD 3.91Å; L87-M195 HydrophobicContact CG-CG 4.46Å
88L92.7Very high92.3Very high26 Ų2648.1 Ų48.114%0.13623%0.233CC..Hα-helixtrans-54.4-46172.3176.460.5000112T86 E90 L91 E92 P129 E130 R351T86-L88 PolarHBondContact O-N 3.03Å; T86-L88 PolarHBondContact OG1-N 3.36Å; L88-E90 PolarHBondContact O-N 2.9Å; L88-L91 PolarHBondContact O-N 2.89Å; L88-E92 HydrophobicContact CD1-CG 4.12Å; L88-E92 HydrophobicContact CG-CG 4.46Å; L88-E92 WeakPolarHBondContact O-CG 3.06Å; L88-E92 PolarHBondContact O-N 3.18Å; L88-P129 HydrophobicContact CB-CB 4.06Å; L88-P129 PolarHBondContact N-O 2.99Å; L88-E130 HydrophobicContact CD2-CG 3.83Å; L88-R351 VanDerWaalsContact CD1-CZ 3.5Å
89H91.1Very high92.3Very high102 Ų10253.1 Ų53.147%0.47226%0.26SS..Hα-helixtrans-64.3-23.3177.8-68.284000112.8H85 T86 L87 K93H85-H89 HydrophobicContact CB-CB 4.15Å; T86-H89 WeakPolarHBondContact O-CB 3.45Å; T86-H89 PolarHBondContact O-N 3.23Å; T86-H89 PolarHBondContact OG1-N 2.96Å; T86-H89 PolarHBondContact OG1-ND1 2.66Å; L87-H89 VanDerWaalsContact C-N 3.3Å; L87-H89 PolarHBondContact O-N 2.74Å; H89-K93 WeakPolarHBondContact O-CE 3.27Å; H89-K93 WeakPolarHBondContact O-CG 3.36Å
90E93.2Very high92.2Very high39 Ų3954.9 Ų54.918%0.18227%0.266CS..Hα-helixtrans-83.2-38177.1-155.762-168.400112.2H85 T86 L87 L88 K93 H94 L98H85-E90 IonicContact CD2-OE2 3.69Å; H85-E90 PolarHBondContact CD2-OE2 2.74Å; H85-E90 VanDerWaalsContact CD2-OE2 3.28Å; H85-E90 IonicContact NE2-OE2 3.65Å; H85-E90 PolarHBondContact NE2-OE2 2.82Å; T86-E90 PolarHBondContact O-N 2.92Å; L87-E90 WeakPolarHBondContact O-CA 3.42Å; L87-E90 WeakPolarHBondContact O-CB 3.17Å; L87-E90 PolarHBondContact O-N 2.83Å; L88-E90 PolarHBondContact O-N 2.9Å; E90-K93 PolarHBondContact O-N 3.16Å; E90-K93 WeakPolarHBondContact OE2-CD 3.47Å; E90-K93 WeakPolarHBondContact OE2-CE 3.15Å; E90-K93 IonicContact OE2-NZ 2.74Å; E90-K93 PolarHBondContact OE2-NZ 2.97Å; E90-H94 PolarHBondContact O-N 2.79Å; E90-H94 PolarHBondContact O-ND1 3.37Å; E90-H94 IonicContact OE1-CE1 2.73Å; E90-H94 PolarHBondContact OE1-CE1 2.86Å; E90-H94 VanDerWaalsContact OE1-CE1 3.28Å; E90-H94 IonicContact OE1-ND1 3.98Å; E90-L98 HydrophobicContact CG-CD2 3.96Å
91L93.4Very high92Very high1 Ų157.2 Ų57.21%0.00528%0.279CS..Hα-helixtrans-64.5-39.4171.8-62.1166.3000111.6L87 L88 K93 H94 L98 P129 E194 M195L87-L91 HydrophobicContact CD1-CG 4.29Å; L87-L91 HydrophobicContact CG-CD1 4.06Å; L87-L91 HydrophobicContact CG-CG 4.3Å; L87-L91 VanDerWaalsContact O-CG 3.31Å; L87-L91 WeakPolarHBondContact O-CG 3.31Å; L87-L91 PolarHBondContact O-N 2.79Å; L88-L91 PolarHBondContact O-N 2.89Å; L91-K93 PolarHBondContact O-N 2.87Å; L91-H94 CarbonylContact O-C 3.47Å; L91-H94 PolarHBondContact O-N 3.07Å; L91-L98 HydrophobicContact CD2-CD1 4.26Å; L91-L98 HydrophobicContact CD2-CG 4.21Å; L91-P129 HydrophobicContact CD1-CB 3.79Å; L91-P129 HydrophobicContact CD1-CG 3.93Å; L91-E194 HydrophobicContact CD1-CG 3.88Å; L91-M195 HydrophobicContact CD2-CG 4.32Å
92E89.9Confident92.1Very high79 Ų7958.5 Ų58.537%0.36929%0.285SS..THydrogen-bonded Turntrans-66.5-22.1177-75.4-159.1164.700114L88 K353L88-E92 HydrophobicContact CD1-CG 4.12Å; L88-E92 HydrophobicContact CG-CG 4.46Å; L88-E92 WeakPolarHBondContact O-CG 3.06Å; L88-E92 PolarHBondContact O-N 3.18Å; E92-K353 IonicContact OE2-NZ 2.78Å
93K91.6Very high92.2Very high125 Ų12555.5 Ų55.554%0.54327%0.273SS..THydrogen-bonded Turntrans-79.8-38172.1-65.7165.1-165.11710111.9H89 E90 L91H89-K93 WeakPolarHBondContact O-CE 3.27Å; H89-K93 WeakPolarHBondContact O-CG 3.36Å; E90-K93 PolarHBondContact O-N 3.16Å; E90-K93 WeakPolarHBondContact OE2-CD 3.47Å; E90-K93 WeakPolarHBondContact OE2-CE 3.15Å; E90-K93 IonicContact OE2-NZ 2.74Å; E90-K93 PolarHBondContact OE2-NZ 2.97Å; L91-K93 PolarHBondContact O-N 2.87Å
94H91.1Very high92.3Very high78 Ų7856.9 Ų56.936%0.36128%0.277SS..  trans-10688.1-168.5-64.996.9000111E90 L91 K96 G97 L98 S198E90-H94 PolarHBondContact O-N 2.79Å; E90-H94 PolarHBondContact O-ND1 3.37Å; E90-H94 IonicContact OE1-CE1 2.73Å; E90-H94 PolarHBondContact OE1-CE1 2.86Å; E90-H94 VanDerWaalsContact OE1-CE1 3.28Å; E90-H94 IonicContact OE1-ND1 3.98Å; L91-H94 CarbonylContact O-C 3.47Å; L91-H94 PolarHBondContact O-N 3.07Å; H94-K96 PolarHBondContact O-N 2.91Å; H94-G97 PolarHBondContact O-N 3.4Å; H94-L98 HydrophobicContact CB-CD2 3.75Å; H94-L98 WeakPolarHBondContact ND1-CD2 3.29Å; H94-S198 WeakPolarHBondContact O-CB 3.31Å; H94-S198 PolarHBondContact O-OG 3.02Å
95T88.6Confident92.6Very high105 Ų10556.7 Ų56.764%0.64427%0.273SS*.THydrogen-bonded Turntrans-70.97.8-172.457.40000116
96K90.7Very high92.8Very high186 Ų18655 Ų5581%0.80927%0.265SS*.THydrogen-bonded Turntrans-133.624.2-177.2-61.9-173178-177.50113.4H94H94-K96 PolarHBondContact O-N 2.91Å
97G92.2Very high92.9Very high11 Ų1153.9 Ų53.911%0.11326%0.259CS..  trans81.5171.8-167.300000113H94 M195 S198H94-G97 PolarHBondContact O-N 3.4Å; G97-M195 WeakPolarHBondContact CA-O 3.18Å; G97-S198 WeakPolarHBondContact CA-OG 3.31Å; G97-S198 PolarHBondContact N-OG 3.04Å
98L94.8Very high92.9Very high14 Ų1454.8 Ų54.87%0.07326%0.262CS..  trans-91.5166.1177.3-54.7178000111.5L87 E90 L91 H94 I103 L106 M195L87-L98 HydrophobicContact CD1-CD1 3.86Å; E90-L98 HydrophobicContact CG-CD2 3.96Å; L91-L98 HydrophobicContact CD2-CD1 4.26Å; L91-L98 HydrophobicContact CD2-CG 4.21Å; H94-L98 HydrophobicContact CB-CD2 3.75Å; H94-L98 WeakPolarHBondContact ND1-CD2 3.29Å; L98-I103 HydrophobicContact CB-CD1 4.16Å; L98-I103 HydrophobicContact CB-CG1 3.72Å; L98-I103 WeakPolarHBondContact O-CD1 3.44Å; L98-L106 HydrophobicContact CD1-CD1 4.17Å; L98-M195 HydrophobicContact CD1-CB 4.46Å; L98-M195 HydrophobicContact CD1-CG 4.11Å; L98-M195 HydrophobicContact CD1-SD 4.27Å; L98-M195 PolarHBondContact N-O 2.97Å
99D93.6Very high93.1Very high105 Ų10553.8 Ų53.856%0.56126%0.257SS*.  trans-59.5138.4171.6164.565.3000112.1L101 Q102 I103D99-L101 VanDerWaalsContact C-N 3.31Å; D99-L101 PolarHBondContact O-N 3.45Å; D99-L101 WeakPolarHBondContact OD2-CA 3.28Å; D99-L101 VanDerWaalsContact OD2-CB 3.24Å; D99-L101 WeakPolarHBondContact OD2-CB 3.34Å; D99-L101 PolarHBondContact OD2-N 3.42Å; D99-Q102 HydrophobicContact CB-CB 4.28Å; D99-Q102 WeakPolarHBondContact O-CB 3.43Å; D99-Q102 PolarHBondContact O-N 3.24Å; D99-Q102 PolarHBondContact OD2-N 3.35Å; D99-I103 WeakPolarHBondContact O-CG1 3.38Å; D99-I103 PolarHBondContact O-N 3.21Å
100R92.9Very high93.4Very high37 Ų3749 Ų4914%0.1424%0.235CC..Hα-helixtrans-66.8-25.9-173.2-58.6-57.2-17983.912.1114R104 P258 E264R100-R104 PolarHBondContact O-N 3.13Å; R100-R104 PolarHBondContact O-NH1 3.05Å; R100-P258 PolarHBondContact NH2-O 3.09Å; R100-E264 IonicContact CZ-OE1 3.42Å; R100-E264 IonicContact NE-OE1 2.69Å; R100-E264 IonicContact NH1-OE1 3.3Å; R100-E264 PolarHBondContact NH1-OE1 3.45Å; R100-E264 IonicContact NH1-OE2 2.96Å; R100-E264 PolarHBondContact NH1-OE2 3.34Å
101L91.2Very high93.6Very high63 Ų6347.1 Ų47.133%0.3323%0.226SC..Hα-helixtrans-73.6-42.7171.7-179.363000110.2D99 R104 K105 M293D99-L101 VanDerWaalsContact C-N 3.31Å; D99-L101 PolarHBondContact O-N 3.45Å; D99-L101 WeakPolarHBondContact OD2-CA 3.28Å; D99-L101 VanDerWaalsContact OD2-CB 3.24Å; D99-L101 WeakPolarHBondContact OD2-CB 3.34Å; D99-L101 PolarHBondContact OD2-N 3.42Å; L101-R104 PolarHBondContact O-N 2.74Å; L101-K105 HydrophobicContact CG-CD 4.34Å; L101-K105 WeakPolarHBondContact O-CG 3.44Å; L101-K105 PolarHBondContact O-N 3.22Å; L101-M293 HydrophobicContact CD1-CG 4.27Å; L101-M293 HydrophobicContact CD1-SD 3.44Å; L101-M293 WeakPolarHBondContact CD1-SD 3.32Å
102Q92.6Very high93.8Very high64 Ų6448.8 Ų48.830%0.29923%0.234SC..Hα-helixtrans-63.2-43.8175.4-177.360.65.900112.4D99 R104 K105 L106D99-Q102 HydrophobicContact CB-CB 4.28Å; D99-Q102 WeakPolarHBondContact O-CB 3.43Å; D99-Q102 PolarHBondContact O-N 3.24Å; D99-Q102 PolarHBondContact OD2-N 3.35Å; Q102-R104 VanDerWaalsContact C-N 3.34Å; Q102-R104 PolarHBondContact O-N 3.44Å; Q102-K105 PolarHBondContact O-N 3.27Å; Q102-L106 HydrophobicContact CG-CD1 4.08Å; Q102-L106 HydrophobicContact CG-CG 4.45Å; Q102-L106 WeakPolarHBondContact O-CG 3.1Å; Q102-L106 PolarHBondContact O-N 3.08Å
103I95.5Very high94.1Very high0 Ų045 Ų450%022%0.216CC..Hα-helixtrans-54.5-51.8174.4-64.1-179.7000109.9L98 D99 K105 L106 T107 V192 M195 L196 Y290L98-I103 HydrophobicContact CB-CD1 4.16Å; L98-I103 HydrophobicContact CB-CG1 3.72Å; L98-I103 WeakPolarHBondContact O-CD1 3.44Å; D99-I103 WeakPolarHBondContact O-CG1 3.38Å; D99-I103 PolarHBondContact O-N 3.21Å; I103-K105 VanDerWaalsContact C-N 3.35Å; I103-K105 PolarHBondContact O-N 3.45Å; I103-L106 PolarHBondContact O-N 3.04Å; I103-T107 PolarHBondContact O-N 2.84Å; I103-T107 PolarHBondContact O-OG1 3.24Å; I103-V192 HydrophobicContact CG2-CG1 4.39Å; I103-M195 HydrophobicContact CD1-CB 4.09Å; I103-M195 VanDerWaalsContact CD1-O 3.25Å; I103-M195 WeakPolarHBondContact CD1-O 3.21Å; I103-M195 HydrophobicContact CG1-CB 4.01Å; I103-M195 HydrophobicContact CG2-CB 4.05Å; I103-M195 HydrophobicContact CG2-CE 4Å; I103-M195 HydrophobicContact CG2-SD 4.43Å; I103-L196 HydrophobicContact CD1-CD2 3.81Å; I103-L196 HydrophobicContact CD1-CG 4.23Å; I103-Y290 WeakPolarHBondContact CG2-OH 3.46Å
104R94.5Very high94.4Very high45 Ų4539 Ų3917%0.1719%0.19CC..Hα-helixtrans-61.1-41.5-179.9-170.1-170.1-70.498.83.1112.3R100 L101 Q102 L106 T107 Y108 Y290 M291R100-R104 PolarHBondContact O-N 3.13Å; R100-R104 PolarHBondContact O-NH1 3.05Å; L101-R104 PolarHBondContact O-N 2.74Å; Q102-R104 VanDerWaalsContact C-N 3.34Å; Q102-R104 PolarHBondContact O-N 3.44Å; R104-L106 VanDerWaalsContact C-N 3.33Å; R104-L106 PolarHBondContact O-N 2.7Å; R104-T107 PolarHBondContact O-N 3.34Å; R104-Y108 WeakPolarHBondContact O-CB 3.39Å; R104-Y108 PolarHBondContact O-N 2.07Å; R104-Y290 WeakPolarHBondContact CD-O 3.01Å; R104-Y290 PolarHBondContact NE-O 3.04Å; R104-M291 WeakPolarHBondContact CD-O 3.17Å; R104-M291 HydrophobicContact CG-SD 4.44Å
105K93.1Very high94.7Very high49 Ų4937.3 Ų37.321%0.21318%0.183CC..Hα-helixtrans-64.6-33.6176.4-76.4-179.3173.2-174.40112.9L101 Q102 I103 Q109 E304L101-K105 HydrophobicContact CG-CD 4.34Å; L101-K105 WeakPolarHBondContact O-CG 3.44Å; L101-K105 PolarHBondContact O-N 3.22Å; Q102-K105 PolarHBondContact O-N 3.27Å; I103-K105 VanDerWaalsContact C-N 3.35Å; I103-K105 PolarHBondContact O-N 3.45Å; K105-Q109 WeakPolarHBondContact O-CG 3.35Å; K105-Q109 PolarHBondContact O-N 3.2Å; K105-Q109 PolarHBondContact O-NE2 2.93Å; K105-E304 WeakPolarHBondContact CE-OE2 3.12Å; K105-E304 IonicContact NZ-OE2 2.96Å; K105-E304 PolarHBondContact NZ-OE2 3.28Å
106L95.7Very high95.1Very high1 Ų134.4 Ų34.41%0.00516%0.162CC..Hα-helixtrans-74.6-48.4173.1-67.3171.6000111.3L87 L98 Q102 I103 R104 Y108 Q109 L110 I134 L140 M195L87-L106 HydrophobicContact CD1-CD1 4.1Å; L98-L106 HydrophobicContact CD1-CD1 4.17Å; Q102-L106 HydrophobicContact CG-CD1 4.08Å; Q102-L106 HydrophobicContact CG-CG 4.45Å; Q102-L106 WeakPolarHBondContact O-CG 3.1Å; Q102-L106 PolarHBondContact O-N 3.08Å; I103-L106 PolarHBondContact O-N 3.04Å; R104-L106 VanDerWaalsContact C-N 3.33Å; R104-L106 PolarHBondContact O-N 2.7Å; L106-Y108 VanDerWaalsContact C-N 3.33Å; L106-Y108 PolarHBondContact O-N 3.04Å; L106-Q109 PolarHBondContact O-N 3.07Å; L106-L110 WeakPolarHBondContact O-CB 3.31Å; L106-L110 PolarHBondContact O-N 2.95Å; L106-I134 HydrophobicContact CD1-CD1 4.11Å; L106-I134 HydrophobicContact CD2-CD1 3.9Å; L106-I134 HydrophobicContact CD2-CG1 4.24Å; L106-L140 HydrophobicContact CB-CD1 4.26Å; L106-L140 HydrophobicContact CD2-CB 4.16Å; L106-L140 HydrophobicContact CD2-CD1 4.12Å; L106-L140 WeakPolarHBondContact O-CD1 3.37Å; L106-M195 HydrophobicContact CB-CE 4.42Å; L106-M195 HydrophobicContact CB-SD 4.02Å; L106-M195 HydrophobicContact CD1-SD 3.87Å
107T97.2Very high95.3Very high0 Ų025.6 Ų25.60%012%0.124CC..Hα-helixtrans-58.4-42.8179.1-50.90000112.1I103 R104 L110 L111 I188 V192 M195 F267 Y290 M291I103-T107 PolarHBondContact O-N 2.84Å; I103-T107 PolarHBondContact O-OG1 3.24Å; R104-T107 PolarHBondContact O-N 3.34Å; T107-L110 PolarHBondContact O-N 3.49Å; T107-L111 HydrophobicContact CG2-CD1 4.1Å; T107-L111 WeakPolarHBondContact O-CB 3.43Å; T107-L111 WeakPolarHBondContact O-CG 3.47Å; T107-L111 PolarHBondContact O-N 2.73Å; T107-I188 HydrophobicContact CG2-CG2 4.47Å; T107-V192 HydrophobicContact CG2-CG2 3.55Å; T107-V192 WeakPolarHBondContact OG1-CG2 3.46Å; T107-M195 WeakPolarHBondContact OG1-CE 3.07Å; T107-F267 HydrophobicContact CG2-CE1 3.97Å; T107-F267 HydrophobicContact CG2-CZ 3.62Å; T107-Y290 HydrophobicContact CG2-CE1 4.45Å; T107-M291 HydrophobicContact CG2-CE 3.89Å
108Y95.5Very high95.5Very high21 Ų2126.1 Ų26.18%0.08212%0.123CC..Hα-helixtrans-60-49.2176.3-175.4-97.2000111.5R104 L106 L110 L111 Q112 L286 M291 P298 L305R104-Y108 WeakPolarHBondContact O-CB 3.39Å; R104-Y108 PolarHBondContact O-N 2.07Å; L106-Y108 VanDerWaalsContact C-N 3.33Å; L106-Y108 PolarHBondContact O-N 3.04Å; Y108-L110 PolarHBondContact O-N 3.43Å; Y108-L111 PolarHBondContact O-N 2.88Å; Y108-Q112 HydrophobicContact CD1-CG 4.15Å; Y108-Q112 VanDerWaalsContact CE1-CD 3.42Å; Y108-Q112 HydrophobicContact CE1-CG 3.87Å; Y108-Q112 VanDerWaalsContact CE1-OE1 3.22Å; Y108-Q112 WeakPolarHBondContact O-CG 3.42Å; Y108-Q112 PolarHBondContact O-N 3.49Å; Y108-L286 HydrophobicContact CD2-CD2 3.74Å; Y108-L286 HydrophobicContact CE2-CD2 3.62Å; Y108-L286 HydrophobicContact CG-CD2 4.39Å; Y108-M291 HydrophobicContact CD2-CG 4.49Å; Y108-M291 HydrophobicContact CD2-SD 4.05Å; Y108-P298 HydrophobicContact CD1-CB 4.26Å; Y108-P298 HydrophobicContact CD2-CB 3.85Å; Y108-P298 HydrophobicContact CD2-CG 3.75Å; Y108-P298 HydrophobicContact CE1-CB 4.12Å; Y108-P298 HydrophobicContact CE2-CB 3.69Å; Y108-P298 HydrophobicContact CE2-CG 3.9Å; Y108-P298 HydrophobicContact CG-CB 4.13Å; Y108-P298 HydrophobicContact CG-CG 4.28Å; Y108-L305 HydrophobicContact CD1-CD1 3.73Å; Y108-L305 HydrophobicContact CE1-CD1 3.55Å
109Q95.9Very high95.6Very high4 Ų429.1 Ų29.12%0.01915%0.15CC..Hα-helixtrans-64.3-36.2177.7-72.6179.886.400113.3N62 K105 L106 Q112 A113 G138 L140 L305N62-Q109 WeakPolarHBondContact ND2-CB 3.43Å; N62-Q109 PolarHBondContact ND2-OE1 2.9Å; K105-Q109 WeakPolarHBondContact O-CG 3.35Å; K105-Q109 PolarHBondContact O-N 3.2Å; K105-Q109 PolarHBondContact O-NE2 2.93Å; L106-Q109 PolarHBondContact O-N 3.07Å; Q109-Q112 PolarHBondContact O-N 2.76Å; Q109-A113 PolarHBondContact O-N 3.26Å; Q109-G138 PolarHBondContact NE2-O 3.37Å; Q109-L140 HydrophobicContact CB-CB 3.79Å; Q109-L140 HydrophobicContact CB-CD2 4.42Å; Q109-L140 HydrophobicContact CB-CG 4.48Å; Q109-L305 HydrophobicContact CG-CD2 4.44Å
110L98Very high95.6Very high1 Ų128.4 Ų28.41%0.00514%0.143CC..Hα-helixtrans-66.4-40.6175.2-177.459.1000111.4L106 T107 Y108 A113 V114 V127 I132 L140 L142 I188 V191L106-L110 WeakPolarHBondContact O-CB 3.31Å; L106-L110 PolarHBondContact O-N 2.95Å; T107-L110 PolarHBondContact O-N 3.49Å; Y108-L110 PolarHBondContact O-N 3.43Å; L110-A113 WeakPolarHBondContact O-CB 3.12Å; L110-A113 PolarHBondContact O-N 3.04Å; L110-V114 HydrophobicContact CD1-CG2 4.46Å; L110-V114 WeakPolarHBondContact O-CB 3.17Å; L110-V114 WeakPolarHBondContact O-CG2 3.27Å; L110-V114 PolarHBondContact O-N 3.46Å; L110-V127 HydrophobicContact CD1-CG1 4.24Å; L110-V127 HydrophobicContact CD2-CG1 4.28Å; L110-I132 HydrophobicContact CD1-CD1 4.13Å; L110-I132 HydrophobicContact CD1-CG1 4.22Å; L110-I132 HydrophobicContact CD2-CD1 3.84Å; L110-L140 HydrophobicContact CB-CD1 3.9Å; L110-L140 HydrophobicContact CB-CD2 4.3Å; L110-L140 HydrophobicContact CD1-CD2 4.3Å; L110-L142 HydrophobicContact CD1-CD1 4.19Å; L110-L142 HydrophobicContact CD1-CD2 4.46Å; L110-I188 HydrophobicContact CD2-CG1 3.9Å; L110-I188 HydrophobicContact CD2-CG2 4.49Å; L110-I188 HydrophobicContact CG-CD1 4.41Å; L110-I188 HydrophobicContact CG-CG1 4.07Å; L110-V191 HydrophobicContact CD2-CG1 4.24Å
111L97.9Very high95.5Very high0 Ų030.6 Ų30.60%016%0.158CC..Hα-helixtrans-67.1-37.5172.4-76.5165.6000112.1T107 Y108 A113 V114 N115 I188 F267 L285 L286 M291T107-L111 HydrophobicContact CG2-CD1 4.1Å; T107-L111 WeakPolarHBondContact O-CB 3.43Å; T107-L111 WeakPolarHBondContact O-CG 3.47Å; T107-L111 PolarHBondContact O-N 2.73Å; Y108-L111 PolarHBondContact O-N 2.88Å; L111-A113 VanDerWaalsContact C-N 3.35Å; L111-A113 PolarHBondContact O-N 3.21Å; L111-V114 PolarHBondContact O-N 2.91Å; L111-N115 WeakPolarHBondContact O-CB 3.22Å; L111-N115 PolarHBondContact O-N 3.22Å; L111-I188 HydrophobicContact CD2-CD1 3.79Å; L111-I188 HydrophobicContact CG-CD1 4.4Å; L111-F267 HydrophobicContact CD1-CE2 4.14Å; L111-F267 HydrophobicContact CD1-CZ 4.1Å; L111-L285 HydrophobicContact CD1-CB 3.92Å; L111-L285 HydrophobicContact CD2-CB 3.74Å; L111-L285 HydrophobicContact CD2-CD1 4.07Å; L111-L286 HydrophobicContact CB-CD2 3.64Å; L111-L286 HydrophobicContact CB-CG 3.84Å; L111-M291 HydrophobicContact CD1-CE 3.35Å
112Q96.5Very high95.6Very high36 Ų3627.6 Ų27.617%0.16814%0.142CC..Hα-helixtrans-60.1-45.4172.3-68.1-168.7-85.700111.2Y108 Q109 F116 L286 Y309Y108-Q112 HydrophobicContact CD1-CG 4.15Å; Y108-Q112 VanDerWaalsContact CE1-CD 3.42Å; Y108-Q112 HydrophobicContact CE1-CG 3.87Å; Y108-Q112 VanDerWaalsContact CE1-OE1 3.22Å; Y108-Q112 WeakPolarHBondContact O-CG 3.42Å; Y108-Q112 PolarHBondContact O-N 3.49Å; Q109-Q112 PolarHBondContact O-N 2.76Å; Q112-F116 WeakPolarHBondContact O-CB 3.39Å; Q112-F116 PolarHBondContact O-N 2.79Å; Q112-L286 HydrophobicContact CG-CD2 3.9Å; Q112-Y309 PolarHBondContact OE1-OH 3.47Å; Q112-Y309 VanDerWaalsContact OE1-OH 3.13Å
113A97.1Very high95.6Very high0 Ų024.8 Ų24.80%013%0.129CC..Hα-helixtrans-58-53174.900000112.6N62 L63 Q109 L110 L111 F116 C117 L142N62-A113 HydrophobicContact CB-CB 3.88Å; L63-A113 HydrophobicContact CD2-CB 3.67Å; Q109-A113 PolarHBondContact O-N 3.26Å; L110-A113 WeakPolarHBondContact O-CB 3.12Å; L110-A113 PolarHBondContact O-N 3.04Å; L111-A113 VanDerWaalsContact C-N 3.35Å; L111-A113 PolarHBondContact O-N 3.21Å; A113-F116 PolarHBondContact O-N 2.77Å; A113-C117 PolarHBondContact O-N 3.07Å; A113-C117 VanDerWaalsContact O-N 3.07Å; A113-C117 PolarHBondContact O-SG 2.86Å; A113-L142 HydrophobicContact CB-CB 4.24Å; A113-L142 HydrophobicContact CB-CD2 4.37Å
114V97.5Very high95.5Very high0 Ų024.8 Ų24.80%013%0.129CC..Hα-helixtrans-70-36.9-176.7168.30000111.8L110 L111 F116 C117 H118 V127 L142 D184 I188L110-V114 HydrophobicContact CD1-CG2 4.46Å; L110-V114 WeakPolarHBondContact O-CB 3.17Å; L110-V114 WeakPolarHBondContact O-CG2 3.27Å; L110-V114 PolarHBondContact O-N 3.46Å; L111-V114 PolarHBondContact O-N 2.91Å; V114-F116 VanDerWaalsContact C-N 3.33Å; V114-F116 PolarHBondContact O-N 2.84Å; V114-C117 WeakPolarHBondContact O-CB 3.22Å; V114-C117 PolarHBondContact O-N 2.77Å; V114-H118 WeakPolarHBondContact CG1-NE2 3.49Å; V114-H118 PolarHBondContact O-N 2.81Å; V114-V127 HydrophobicContact CG2-CG2 4.34Å; V114-L142 HydrophobicContact CG2-CD2 3.98Å; V114-D184 HydrophobicContact CG1-CB 3.93Å; V114-I188 HydrophobicContact CB-CD1 4.09Å; V114-I188 HydrophobicContact CG1-CD1 4.08Å; V114-I188 HydrophobicContact CG2-CD1 4.05Å
115N97.5Very high95.3Very high41 Ų4123.9 Ų23.922%0.21913%0.126CC..Hα-helixtrans-62.7-40173.7-161.161.9000112.2L111 H118 A119 S282 E283 L286L111-N115 WeakPolarHBondContact O-CB 3.22Å; L111-N115 PolarHBondContact O-N 3.22Å; N115-H118 PolarHBondContact O-N 3.17Å; N115-A119 WeakPolarHBondContact O-CB 3.41Å; N115-A119 PolarHBondContact O-N 2.92Å; N115-S282 WeakPolarHBondContact CA-OG 3.41Å; N115-S282 WeakPolarHBondContact OD1-CB 3.31Å; N115-S282 PolarHBondContact OD1-OG 3.31Å; N115-E283 PolarHBondContact OD1-N 3.48Å; N115-E283 VanDerWaalsContact OD1-N 3.13Å; N115-L286 HydrophobicContact CB-CD1 3.9Å
116F96.9Very high95.2Very high45 Ų4522 Ų2220%0.19712%0.118CC..Hα-helixtrans-63.5-42.3174-178-85.7000111.6L58 K59 H60 L63 Q112 A113 V114 H120L58-F116 HydrophobicContact CB-CE1 4.11Å; L58-F116 HydrophobicContact CD2-CD1 4.28Å; L58-F116 HydrophobicContact CD2-CE1 3.88Å; K59-F116 VanDerWaalsContact O-CZ 3.24Å; K59-F116 WeakPolarHBondContact O-CZ 3.39Å; H60-F116 HydrophobicContact CB-CB 4.44Å; H60-F116 HydrophobicContact CB-CD1 3.71Å; H60-F116 HydrophobicContact CB-CD2 3.97Å; H60-F116 HydrophobicContact CB-CE1 3.87Å; H60-F116 HydrophobicContact CB-CE2 4.1Å; H60-F116 HydrophobicContact CB-CG 3.76Å; H60-F116 HydrophobicContact CB-CZ 4.07Å; H60-F116 AromaticContact CD2-CD2 3.52Å; H60-F116 AromaticContact CD2-CG 3.74Å; H60-F116 AromaticContact CG-CD2 3.94Å; H60-F116 AromaticContact CG-CG 3.77Å; L63-F116 HydrophobicContact CD1-CD1 3.92Å; L63-F116 HydrophobicContact CD1-CE1 4.3Å; Q112-F116 WeakPolarHBondContact O-CB 3.39Å; Q112-F116 PolarHBondContact O-N 2.79Å; A113-F116 PolarHBondContact O-N 2.77Å; V114-F116 VanDerWaalsContact C-N 3.33Å; V114-F116 PolarHBondContact O-N 2.84Å; F116-H120 AromaticContact CD1-ND1 3.89Å; F116-H120 AromaticContact CD2-CE1 3.85Å; F116-H120 AromaticContact CE1-CE1 3.77Å; F116-H120 AromaticContact CE1-ND1 3.69Å; F116-H120 AromaticContact CE2-CE1 3.35Å; F116-H120 WeakPolarHBondContact CE2-CE1 3.3Å; F116-H120 AromaticContact CE2-ND1 3.95Å; F116-H120 AromaticContact CZ-CE1 3.29Å; F116-H120 WeakPolarHBondContact CZ-CE1 3.21Å; F116-H120 AromaticContact CZ-ND1 3.72Å; F116-H120 AromaticContact CZ-NE2 3.86Å; F116-H120 PolarHBondContact O-N 3.05Å; F116-H120 PolarHBondContact O-ND1 2.98Å
117C96.1Very high95.2Very high0 Ų022.1 Ų22.10%012%0.118CC..Hα-helixtrans-60.1-49.8173.8-64.60000111.7A113 V114 A119 H120 N121 C122A113-C117 PolarHBondContact O-N 3.07Å; A113-C117 VanDerWaalsContact O-N 3.07Å; A113-C117 PolarHBondContact O-SG 2.86Å; V114-C117 WeakPolarHBondContact O-CB 3.22Å; V114-C117 PolarHBondContact O-N 2.77Å; C117-A119 PolarHBondContact O-N 2.6Å; C117-H120 CarbonylContact O-C 3.53Å; C117-H120 WeakPolarHBondContact O-CA 3.33Å; C117-H120 PolarHBondContact O-N 2.68Å; C117-N121 PolarHBondContact O-N 3.34Å; C117-C122 CarbonylContact C-O 3.57Å; C117-C122 HydrophobicContact CB-CB 4.29Å; C117-C122 WeakPolarHBondContact CB-O 3.42Å; C117-C122 WeakPolarHBondContact O-CA 3.44Å; C117-C122 WeakPolarHBondContact O-CB 3.41Å; C117-C122 PolarHBondContact O-N 2.74Å
118H96.1Very high95.1Very high23 Ų2323 Ų2311%0.10612%0.122CC..Hα-helixtrans-59.4-44.1179.9-67.1169.8000112.4V114 N115 H120 N121 T181 I185 S282V114-H118 WeakPolarHBondContact CG1-NE2 3.49Å; V114-H118 PolarHBondContact O-N 2.81Å; N115-H118 PolarHBondContact O-N 3.17Å; H118-H120 PolarHBondContact O-N 2.95Å; H118-N121 PolarHBondContact O-N 3.36Å; H118-T181 HydrophobicContact CB-CG2 4.1Å; H118-T181 WeakPolarHBondContact CD2-CG2 3.28Å; H118-T181 PolarHBondContact NE2-O 3.01Å; H118-T181 VanDerWaalsContact NE2-O 3.17Å; H118-I185 WeakPolarHBondContact NE2-CD1 3.33Å; H118-I185 WeakPolarHBondContact NE2-CG1 3.29Å; H118-S282 WeakPolarHBondContact CE1-CB 3.5Å; H118-S282 PolarHBondContact CE1-OG 3.24Å; H118-S282 PolarHBondContact ND1-OG 2.66Å
119A95.8Very high95.1Very high77 Ų7722 Ų2264%0.63612%0.118SC*.Hα-helixtrans-63.4-23.2175.900000113.7N115 C117 N121N115-A119 WeakPolarHBondContact O-CB 3.41Å; N115-A119 PolarHBondContact O-N 2.92Å; C117-A119 PolarHBondContact O-N 2.6Å; A119-N121 VanDerWaalsContact C-N 3.33Å
120H93.8Very high94.8Very high89 Ų8924.1 Ų24.141%0.41213%0.128SC..THydrogen-bonded Turntrans-96.924.6172.8-68.181.3000112.5L58 F116 C117 H118 C122L58-H120 HydrophobicContact CD2-CB 3.47Å; L58-H120 VanDerWaalsContact CD2-CB 3.47Å; F116-H120 AromaticContact CD1-ND1 3.89Å; F116-H120 AromaticContact CD2-CE1 3.85Å; F116-H120 AromaticContact CE1-CE1 3.77Å; F116-H120 AromaticContact CE1-ND1 3.69Å; F116-H120 AromaticContact CE2-CE1 3.35Å; F116-H120 WeakPolarHBondContact CE2-CE1 3.3Å; F116-H120 AromaticContact CE2-ND1 3.95Å; F116-H120 AromaticContact CZ-CE1 3.29Å; F116-H120 WeakPolarHBondContact CZ-CE1 3.21Å; F116-H120 AromaticContact CZ-ND1 3.72Å; F116-H120 AromaticContact CZ-NE2 3.86Å; F116-H120 PolarHBondContact O-N 3.05Å; F116-H120 PolarHBondContact O-ND1 2.98Å; C117-H120 CarbonylContact O-C 3.53Å; C117-H120 WeakPolarHBondContact O-CA 3.33Å; C117-H120 PolarHBondContact O-N 2.68Å; H118-H120 PolarHBondContact O-N 2.95Å; H120-C122 PolarHBondContact O-N 2.65Å
121N92.1Very high94.6Very high84 Ų8424.7 Ų24.745%0.44913%0.131SC..THydrogen-bonded Turntrans55.231.7-179.7-71-52.9000113.9C117 H118 A119 L150 L151C117-N121 PolarHBondContact O-N 3.34Å; H118-N121 PolarHBondContact O-N 3.36Å; A119-N121 VanDerWaalsContact C-N 3.33Å; N121-L150 CarbonylContact O-C 3.22Å; N121-L150 VanDerWaalsContact O-CA 3.26Å; N121-L150 WeakPolarHBondContact O-CA 3.48Å; N121-L151 HydrophobicContact CB-CB 4.17Å; N121-L151 HydrophobicContact CB-CD1 4.27Å; N121-L151 HydrophobicContact CB-CG 4.42Å; N121-L151 WeakPolarHBondContact O-CG 3.38Å; N121-L151 PolarHBondContact O-N 2.92Å
122C91.8Very high94.6Very high0 Ų024.7 Ų24.70%013%0.131CC..EExtended strand (participates in β ladder)trans-116.8118.8-176.4-174.90000111.9L58 C117 H120 R149 L150L58-C122 HydrophobicContact CD1-CB 4.22Å; C117-C122 CarbonylContact C-O 3.57Å; C117-C122 HydrophobicContact CB-CB 4.29Å; C117-C122 WeakPolarHBondContact CB-O 3.42Å; C117-C122 WeakPolarHBondContact O-CA 3.44Å; C117-C122 WeakPolarHBondContact O-CB 3.41Å; C117-C122 PolarHBondContact O-N 2.74Å; H120-C122 PolarHBondContact O-N 2.65Å; C122-R149 CarbonylContact C-O 3.59Å; C122-R149 WeakPolarHBondContact CA-O 3.25Å; C122-L150 HydrophobicContact CB-CD2 4.08Å
123I93.3Very high94.6Very high4 Ų424.3 Ų24.32%0.02113%0.13CC..EExtended strand (participates in β ladder)trans-88.4134.3165.8-41.5170.8000108.3R125 A148 R149 L151 Y179 T181 V183 D184I123-R125 HydrophobicContact CB-CG 3.97Å; I123-R125 HydrophobicContact CG2-CG 3.54Å; I123-A148 CarbonylContact O-C 3.44Å; I123-A148 WeakPolarHBondContact O-CA 3.18Å; I123-R149 PolarHBondContact N-O 2.81Å; I123-R149 PolarHBondContact O-N 3Å; I123-L151 HydrophobicContact CD1-CD2 3.68Å; I123-L151 HydrophobicContact CG1-CD2 3.82Å; I123-L151 HydrophobicContact CG1-CG 4.48Å; I123-Y179 HydrophobicContact CD1-CD2 4.28Å; I123-Y179 HydrophobicContact CD1-CE2 4.09Å; I123-T181 HydrophobicContact CG1-CG2 4.25Å; I123-V183 HydrophobicContact CG2-CG2 3.54Å; I123-D184 VanDerWaalsContact CG2-OD2 3.27Å; I123-D184 WeakPolarHBondContact CG2-OD2 3.44Å
124H92.6Very high94.5Very high0 Ų024.5 Ų24.50%013%0.131CC..  trans-77.5-45.6178-168-98000112.6D126 V127 C143 F145 D184H124-D126 PolarHBondContact CE1-O 2.83Å; H124-D126 PolarHBondContact ND1-N 3.26Å; H124-D126 PolarHBondContact O-N 3.13Å; H124-V127 HydrophobicContact CB-CG2 4.03Å; H124-V127 PolarHBondContact ND1-N 2.89Å; H124-C143 PolarHBondContact CE1-O 3.41Å; H124-C143 VanDerWaalsContact CE1-O 3.31Å; H124-C143 PolarHBondContact NE2-O 3.37Å; H124-F145 AromaticContact CD2-CD1 3.83Å; H124-F145 AromaticContact CD2-CE1 3.62Å; H124-F145 AromaticContact CD2-CZ 3.71Å; H124-F145 AromaticContact NE2-CE2 3.97Å; H124-D184 WeakPolarHBondContact CB-OD2 3.49Å; H124-D184 PolarHBondContact N-OD2 2.95Å
125R91.8Very high94.3Very high27 Ų2725.1 Ų25.110%0.10214%0.135CC..  trans64.4-8.8179.2-49-167.3-57.8133.69.8117.1I123 F147 Y161 Y179 V183 D184I123-R125 HydrophobicContact CB-CG 3.97Å; I123-R125 HydrophobicContact CG2-CG 3.54Å; R125-F147 PolarHBondContact NE-O 2.91Å; R125-F147 PolarHBondContact NH2-O 3.35Å; R125-Y161 PolarHBondContact O-OH 2.96Å; R125-Y179 WeakPolarHBondContact CD-OH 3.47Å; R125-Y179 HydrophobicContact CG-CE2 4.4Å; R125-Y179 PolarHBondContact NH1-OH 2.89Å; R125-V183 HydrophobicContact CG-CG2 4.4Å; R125-D184 WeakPolarHBondContact CA-OD1 3.4Å; R125-D184 PolarHBondContact N-OD1 2.92Å
126D91.1Very high93.9Very high10 Ų1031.8 Ų31.85%0.05316%0.162CC..  trans-127.541.4-179.9-151.631.2000112.9H124 K128 N131 F147 Y161H124-D126 PolarHBondContact CE1-O 2.83Å; H124-D126 PolarHBondContact ND1-N 3.26Å; H124-D126 PolarHBondContact O-N 3.13Å; D126-K128 PolarHBondContact O-N 2.62Å; D126-K128 IonicContact OD1-NZ 2.71Å; D126-K128 PolarHBondContact OD1-NZ 3.47Å; D126-K128 IonicContact OD2-NZ 3.54Å; D126-K128 PolarHBondContact OD2-NZ 2.79Å; D126-N131 VanDerWaalsContact CG-ND2 3.26Å; D126-N131 PolarHBondContact O-ND2 2.67Å; D126-N131 PolarHBondContact OD2-ND2 3.38Å; D126-F147 HydrophobicContact CB-CB 4.2Å; D126-F147 HydrophobicContact CB-CD2 3.93Å; D126-F147 HydrophobicContact CB-CG 4.44Å; D126-F147 WeakPolarHBondContact OD2-CD2 3.17Å; D126-Y161 WeakPolarHBondContact CB-OH 3.42Å; D126-Y161 PolarHBondContact OD1-OH 2.81Å
127V95.7Very high93.6Very high2 Ų231.8 Ų31.81%0.01217%0.168CC..  trans-76.4115.2176.6179.70000109.7L110 V114 H124 I132 L142 Y167 D184 A187 I188 V191L110-V127 HydrophobicContact CD1-CG1 4.24Å; L110-V127 HydrophobicContact CD2-CG1 4.28Å; V114-V127 HydrophobicContact CG2-CG2 4.34Å; H124-V127 HydrophobicContact CB-CG2 4.03Å; H124-V127 PolarHBondContact ND1-N 2.89Å; V127-I132 HydrophobicContact CG1-CD1 4.36Å; V127-L142 HydrophobicContact CG2-CD1 4.43Å; V127-L142 HydrophobicContact CG2-CD2 4.46Å; V127-Y167 WeakPolarHBondContact O-CB 3.39Å; V127-D184 HydrophobicContact CG2-CB 4.42Å; V127-A187 HydrophobicContact CB-CB 3.81Å; V127-A187 HydrophobicContact CG1-CB 4.33Å; V127-I188 HydrophobicContact CG1-CG1 4.32Å; V127-V191 HydrophobicContact CG1-CG2 4.48Å
128K94.5Very high93.3Very high18 Ų1832.5 Ų32.58%0.07818%0.175CC..SBendtrans-161.4161.3-178.461.9-173.9178.4-138.10111.1D126 E130 N131 I132 Y167D126-K128 PolarHBondContact O-N 2.62Å; D126-K128 IonicContact OD1-NZ 2.71Å; D126-K128 PolarHBondContact OD1-NZ 3.47Å; D126-K128 IonicContact OD2-NZ 3.54Å; D126-K128 PolarHBondContact OD2-NZ 2.79Å; K128-E130 WeakPolarHBondContact CB-OE2 3.5Å; K128-E130 HydrophobicContact CD-CB 4.39Å; K128-E130 WeakPolarHBondContact CD-OE2 3.04Å; K128-E130 HydrophobicContact CG-CB 4.23Å; K128-E130 VanDerWaalsContact CG-OE2 3.28Å; K128-E130 WeakPolarHBondContact CG-OE2 3.49Å; K128-E130 PolarHBondContact O-N 3.13Å; K128-E130 VanDerWaalsContact O-N 3.13Å; K128-N131 WeakPolarHBondContact CE-ND2 3.11Å; K128-N131 WeakPolarHBondContact CE-OD1 3.37Å; K128-N131 HydrophobicContact CG-CB 4.05Å; K128-N131 PolarHBondContact O-N 2.92Å; K128-I132 WeakPolarHBondContact O-CG1 3.26Å; K128-I132 PolarHBondContact O-N 3.32Å; K128-Y167 HydrophobicContact CB-CD2 3.48Å; K128-Y167 VanDerWaalsContact CB-CD2 3.48Å; K128-Y167 HydrophobicContact CB-CE2 3.68Å; K128-Y167 HydrophobicContact CB-CG 3.96Å
129P94.7Very high93.2Very high0 Ų031.4 Ų31.40%017%0.17CC..THydrogen-bonded Turntrans-61.7-21.9-175.9-2435.9000115.3L87 L88 L91 Y167 V191L87-P129 HydrophobicContact CB-CB 4.15Å; L87-P129 HydrophobicContact CD2-CB 4.23Å; L87-P129 HydrophobicContact CG-CB 4.07Å; L87-P129 PolarHBondContact N-O 2.68Å; L88-P129 HydrophobicContact CB-CB 4.06Å; L88-P129 PolarHBondContact N-O 2.99Å; L91-P129 HydrophobicContact CD1-CB 3.79Å; L91-P129 HydrophobicContact CD1-CG 3.93Å; P129-Y167 WeakPolarHBondContact CD-OH 3.48Å; P129-Y167 HydrophobicContact CG-CE1 4.19Å; P129-V191 HydrophobicContact CG-CG2 4.36Å
130E90.9Very high93.2Very high49 Ų4927.9 Ų27.923%0.22914%0.14CC..THydrogen-bonded Turntrans-68.7-34.7172.5-61.977.4-172.600112.2L88 K128 R351L88-E130 HydrophobicContact CD2-CG 3.83Å; K128-E130 WeakPolarHBondContact CB-OE2 3.5Å; K128-E130 HydrophobicContact CD-CB 4.39Å; K128-E130 WeakPolarHBondContact CD-OE2 3.04Å; K128-E130 HydrophobicContact CG-CB 4.23Å; K128-E130 VanDerWaalsContact CG-OE2 3.28Å; K128-E130 WeakPolarHBondContact CG-OE2 3.49Å; K128-E130 PolarHBondContact O-N 3.13Å; K128-E130 VanDerWaalsContact O-N 3.13Å; E130-R351 IonicContact OE1-NH2 3.86Å; E130-R351 PolarHBondContact OE1-NH2 3.17Å
131N93.9Very high93.3Very high13 Ų1323.6 Ų23.67%0.0712%0.121CC..SBendtrans-96.32.5-175.2-73.45.2000113.7D126 K128 C143D126-N131 VanDerWaalsContact CG-ND2 3.26Å; D126-N131 PolarHBondContact O-ND2 2.67Å; D126-N131 PolarHBondContact OD2-ND2 3.38Å; K128-N131 WeakPolarHBondContact CE-ND2 3.11Å; K128-N131 WeakPolarHBondContact CE-OD1 3.37Å; K128-N131 HydrophobicContact CG-CB 4.05Å; K128-N131 PolarHBondContact O-N 2.92Å; N131-C143 WeakPolarHBondContact CB-O 2.97Å; N131-C143 PolarHBondContact O-N 3.04Å; N131-C143 PolarHBondContact O-SG 3.08Å
132I96.3Very high93.5Very high0 Ų019.6 Ų19.60%010%0.099CC..EExtended strand (participates in β ladder)trans-104.5108177.8-67.2165.9000107.3T86 L87 L110 V127 K128 L140 L142 V191T86-I132 CarbonylContact C-O 3.6Å; T86-I132 VanDerWaalsContact CA-O 3.22Å; T86-I132 WeakPolarHBondContact CA-O 3.4Å; T86-I132 WeakPolarHBondContact CB-O 3.47Å; L87-I132 HydrophobicContact CB-CB 3.93Å; L87-I132 HydrophobicContact CB-CG2 3.84Å; L87-I132 HydrophobicContact CD2-CB 4.37Å; L87-I132 HydrophobicContact CD2-CD1 3.96Å; L87-I132 HydrophobicContact CD2-CG2 4.16Å; L87-I132 PolarHBondContact N-O 3.01Å; L110-I132 HydrophobicContact CD1-CD1 4.13Å; L110-I132 HydrophobicContact CD1-CG1 4.22Å; L110-I132 HydrophobicContact CD2-CD1 3.84Å; V127-I132 HydrophobicContact CG1-CD1 4.36Å; K128-I132 WeakPolarHBondContact O-CG1 3.26Å; K128-I132 PolarHBondContact O-N 3.32Å; I132-L140 HydrophobicContact CG2-CD1 3.47Å; I132-L140 VanDerWaalsContact CG2-CD1 3.47Å; I132-L140 HydrophobicContact CG2-CD2 4.46Å; I132-L140 HydrophobicContact CG2-CG 3.75Å; I132-L142 HydrophobicContact CG1-CD1 4.1Å; I132-V191 HydrophobicContact CD1-CG1 3.77Å; I132-V191 HydrophobicContact CD1-CG2 4.25Å
133L96.4Very high93.5Very high29 Ų2920.5 Ų20.515%0.15211%0.105CC..EExtended strand (participates in β ladder)trans-92.5146.9-179.9-46.9179.6000110.4I64 V83 H85 T86 L140 K141 C143I64-L133 HydrophobicContact CD1-CD1 3.92Å; I64-L133 HydrophobicContact CG1-CD1 4.29Å; V83-L133 HydrophobicContact CB-CB 3.91Å; V83-L133 HydrophobicContact CB-CD1 4.15Å; V83-L133 HydrophobicContact CG1-CB 3.66Å; V83-L133 HydrophobicContact CG2-CB 4.25Å; V83-L133 HydrophobicContact CG2-CD1 4.06Å; H85-L133 WeakPolarHBondContact O-CA 3.41Å; T86-L133 HydrophobicContact CG2-CD2 3.73Å; L133-L140 CarbonylContact O-C 3.53Å; L133-L140 WeakPolarHBondContact O-CA 3.48Å; L133-K141 WeakPolarHBondContact CA-O 3.25Å; L133-K141 HydrophobicContact CB-CB 4.33Å; L133-K141 VanDerWaalsContact CB-O 3.29Å; L133-K141 WeakPolarHBondContact CB-O 3.49Å; L133-K141 PolarHBondContact N-O 3.11Å; L133-K141 PolarHBondContact O-N 3.04Å; L133-C143 HydrophobicContact CD1-CB 3.85Å; L133-C143 HydrophobicContact CG-CB 4.14Å
134I95.6Very high93Very high4 Ų422.8 Ų22.82%0.02112%0.117CC..EExtended strand (participates in β ladder)trans-132.7126.2-178.4-52.4177.5000109.6V83 H85 L87 L106 Q139V83-I134 VanDerWaalsContact CG1-O 3.28Å; V83-I134 WeakPolarHBondContact CG1-O 3.44Å; H85-I134 PolarHBondContact CE1-O 2.98Å; H85-I134 VanDerWaalsContact CE1-O 3.27Å; H85-I134 PolarHBondContact N-O 3.42Å; H85-I134 PolarHBondContact ND1-O 2.9Å; H85-I134 PolarHBondContact O-N 2.94Å; L87-I134 HydrophobicContact CB-CD1 4.08Å; L87-I134 HydrophobicContact CD1-CD1 4Å; L106-I134 HydrophobicContact CD1-CD1 4.11Å; L106-I134 HydrophobicContact CD2-CD1 3.9Å; L106-I134 HydrophobicContact CD2-CG1 4.24Å; I134-Q139 WeakPolarHBondContact CA-O 3.33Å
135T93Very high92.4Very high13 Ų1322.8 Ų22.88%0.0812%0.118CC..  trans-77.6162.9173.868.90000111.4V83 S137 G138 Q139V83-T135 HydrophobicContact CG1-CG2 4Å; T135-S137 PolarHBondContact O-N 3.44Å; T135-S137 PolarHBondContact OG1-N 3.16Å; T135-S137 PolarHBondContact OG1-OG 3.5Å; T135-G138 PolarHBondContact O-N 3.34Å; T135-G138 PolarHBondContact OG1-N 3.19Å; T135-Q139 HydrophobicContact CG2-CB 3.9Å; T135-Q139 PolarHBondContact N-O 2.98Å; T135-Q139 VanDerWaalsContact OG1-CB 3.25Å; T135-Q139 WeakPolarHBondContact OG1-CB 3.38Å; T135-Q139 PolarHBondContact OG1-N 2.87Å
136K90.2Very high91.2Very high181 Ų18121.6 Ų21.679%0.78711%0.113SC*.THydrogen-bonded Turntrans-51.6-24.8168.9-83.3167.1-178.81210115.4D84D84-K136 HydrophobicContact CB-CG 4.36Å; D84-K136 VanDerWaalsContact OD1-CE 3.32Å; D84-K136 WeakPolarHBondContact OD1-CE 3.31Å; D84-K136 IonicContact OD1-NZ 3.04Å; D84-K136 PolarHBondContact OD1-NZ 2.8Å; D84-K136 WeakPolarHBondContact OD2-CG 3.33Å; D84-K136 PolarHBondContact OD2-N 3Å
137S89.6Confident90Very high45 Ų4522 Ų2232%0.31511%0.114SC..THydrogen-bonded Turntrans-92.83.1177.856.30000114T135 V308 S311 C312T135-S137 PolarHBondContact O-N 3.44Å; T135-S137 PolarHBondContact OG1-N 3.16Å; T135-S137 PolarHBondContact OG1-OG 3.5Å; S137-V308 WeakPolarHBondContact O-CG2 3.36Å; S137-S311 WeakPolarHBondContact CB-OG 3.48Å; S137-S311 PolarHBondContact OG-OG 3.17Å; S137-C312 PolarHBondContact OG-SG 2.69Å
138G90.9Very high88.1Confident15 Ų1521.9 Ų21.916%0.15511%0.114CC..  trans82.413.8-179.700000114.7Q109 T135 L140Q109-G138 PolarHBondContact NE2-O 3.37Å; T135-G138 PolarHBondContact O-N 3.34Å; T135-G138 PolarHBondContact OG1-N 3.19Å; G138-L140 PolarHBondContact O-N 3.44Å
139Q93.4Very high86.7Confident0 Ų022.1 Ų22.10%011%0.114CC..  trans-71.6120.9170.7-166.6-169.614.500109P61 I134 T135 V308 Y309 C312 D314P61-Q139 PolarHBondContact O-NE2 2.91Å; I134-Q139 WeakPolarHBondContact CA-O 3.33Å; T135-Q139 HydrophobicContact CG2-CB 3.9Å; T135-Q139 PolarHBondContact N-O 2.98Å; T135-Q139 VanDerWaalsContact OG1-CB 3.25Å; T135-Q139 WeakPolarHBondContact OG1-CB 3.38Å; T135-Q139 PolarHBondContact OG1-N 2.87Å; Q139-V308 HydrophobicContact CB-CG1 3.64Å; Q139-V308 HydrophobicContact CG-CG1 4.29Å; Q139-Y309 HydrophobicContact CG-CD1 3.92Å; Q139-Y309 HydrophobicContact CG-CE1 3.95Å; Q139-C312 PolarHBondContact OE1-SG 3.26Å; Q139-D314 PolarHBondContact NE2-OD2 3.29Å
140L96.2Very high85.4Confident2 Ų225.5 Ų25.51%0.0113%0.132CC..EExtended strand (participates in β ladder)trans-82.4135.1171.7179.2152.6000109.9N62 L106 Q109 L110 I132 L133 G138N62-L140 WeakPolarHBondContact CA-O 3.24Å; N62-L140 WeakPolarHBondContact CB-O 3.47Å; N62-L140 PolarHBondContact ND2-O 2.89Å; N62-L140 VanDerWaalsContact ND2-O 3.11Å; L106-L140 HydrophobicContact CB-CD1 4.26Å; L106-L140 HydrophobicContact CD2-CB 4.16Å; L106-L140 HydrophobicContact CD2-CD1 4.12Å; L106-L140 WeakPolarHBondContact O-CD1 3.37Å; Q109-L140 HydrophobicContact CB-CB 3.79Å; Q109-L140 HydrophobicContact CB-CD2 4.42Å; Q109-L140 HydrophobicContact CB-CG 4.48Å; L110-L140 HydrophobicContact CB-CD1 3.9Å; L110-L140 HydrophobicContact CB-CD2 4.3Å; L110-L140 HydrophobicContact CD1-CD2 4.3Å; I132-L140 HydrophobicContact CG2-CD1 3.47Å; I132-L140 VanDerWaalsContact CG2-CD1 3.47Å; I132-L140 HydrophobicContact CG2-CD2 4.46Å; I132-L140 HydrophobicContact CG2-CG 3.75Å; L133-L140 CarbonylContact O-C 3.53Å; L133-L140 WeakPolarHBondContact O-CA 3.48Å; G138-L140 PolarHBondContact O-N 3.44Å
141K95.9Very high83.9Confident0 Ų027.1 Ų27.10%014%0.142CC..EExtended strand (participates in β ladder)trans-131112.6172.1-73.1173.8179.3-73.20110.7P61 N62 I64 Q81 V83 L133 D314P61-K141 PolarHBondContact O-NZ 2.93Å; P61-K141 VanDerWaalsContact O-NZ 3.08Å; N62-K141 CarbonylContact O-C 3.6Å; N62-K141 WeakPolarHBondContact O-CA 3.37Å; I64-K141 HydrophobicContact CD1-CD 4.31Å; Q81-K141 VanDerWaalsContact OE1-CE 3.29Å; V83-K141 HydrophobicContact CG2-CD 3.97Å; L133-K141 WeakPolarHBondContact CA-O 3.25Å; L133-K141 HydrophobicContact CB-CB 4.33Å; L133-K141 VanDerWaalsContact CB-O 3.29Å; L133-K141 WeakPolarHBondContact CB-O 3.49Å; L133-K141 PolarHBondContact N-O 3.11Å; L133-K141 PolarHBondContact O-N 3.04Å; K141-D314 IonicContact NZ-OD1 3.48Å; K141-D314 IonicContact NZ-OD2 3.85Å; K141-D314 PolarHBondContact NZ-OD2 3.09Å
142L96.4Very high81.7Confident0 Ų032 Ų320%017%0.172CC..EExtended strand (participates in β ladder)trans-74.2137.2174.6-177.665.1000110.6N62 L63 I64 L110 A113 V114 V127 I132N62-L142 PolarHBondContact O-N 3.39Å; L63-L142 HydrophobicContact CD2-CB 3.91Å; L63-L142 HydrophobicContact CD2-CD2 4.3Å; I64-L142 PolarHBondContact N-O 3.07Å; L110-L142 HydrophobicContact CD1-CD1 4.19Å; L110-L142 HydrophobicContact CD1-CD2 4.46Å; A113-L142 HydrophobicContact CB-CB 4.24Å; A113-L142 HydrophobicContact CB-CD2 4.37Å; V114-L142 HydrophobicContact CG2-CD2 3.98Å; V127-L142 HydrophobicContact CG2-CD1 4.43Å; V127-L142 HydrophobicContact CG2-CD2 4.46Å; I132-L142 HydrophobicContact CG1-CD1 4.1Å
143C92.2Very high79.2Confident19 Ų1934.6 Ų34.613%0.12820%0.199CC..  trans-137.4176.4-176.976.20000114.4I64 H124 N131 L133I64-C143 HydrophobicContact CB-CB 3.91Å; I64-C143 HydrophobicContact CG1-CB 4.47Å; I64-C143 HydrophobicContact CG2-CB 3.57Å; H124-C143 PolarHBondContact CE1-O 3.41Å; H124-C143 VanDerWaalsContact CE1-O 3.31Å; H124-C143 PolarHBondContact NE2-O 3.37Å; N131-C143 WeakPolarHBondContact CB-O 2.97Å; N131-C143 PolarHBondContact O-N 3.04Å; N131-C143 PolarHBondContact O-SG 3.08Å; L133-C143 HydrophobicContact CD1-CB 3.85Å; L133-C143 HydrophobicContact CG-CB 4.14Å
144D82.7Confident76.4Confident51 Ų5140 Ų4027%0.27324%0.236SC..  trans65.958.2-179.2-149.22000116K33 G146K33-D144 IonicContact NZ-OD1 3.44Å; K33-D144 PolarHBondContact NZ-OD1 2.96Å; D144-G146 PolarHBondContact O-N 3.34Å
145F78.2Confident74Confident1 Ų143.2 Ų43.20%0.00427%0.27CS..G310 helixtrans-66.212.9171.1-72.8-99.8000114.2E51 T54 L55 L58 L63 H124 F147 A148E51-F145 HydrophobicContact CG-CB 4.31Å; T54-F145 HydrophobicContact CG2-CB 4.37Å; T54-F145 HydrophobicContact CG2-CD1 3.58Å; T54-F145 HydrophobicContact CG2-CE1 4.27Å; T54-F145 HydrophobicContact CG2-CG 4.28Å; L55-F145 HydrophobicContact CD2-CB 4.33Å; L55-F145 HydrophobicContact CD2-CD2 3.64Å; L55-F145 HydrophobicContact CD2-CE2 4.24Å; L55-F145 HydrophobicContact CD2-CG 4.12Å; L55-F145 HydrophobicContact CG-CB 4.3Å; L55-F145 HydrophobicContact CG-CD2 4.5Å; L58-F145 HydrophobicContact CD1-CD1 4Å; L58-F145 HydrophobicContact CD1-CE1 3.39Å; L58-F145 HydrophobicContact CD1-CZ 4.06Å; L63-F145 HydrophobicContact CD1-CZ 4.03Å; L63-F145 HydrophobicContact CD2-CE2 4.2Å; L63-F145 HydrophobicContact CD2-CZ 3.74Å; L63-F145 HydrophobicContact CG-CZ 4.39Å; H124-F145 AromaticContact CD2-CD1 3.83Å; H124-F145 AromaticContact CD2-CE1 3.62Å; H124-F145 AromaticContact CD2-CZ 3.71Å; H124-F145 AromaticContact NE2-CE2 3.97Å; F145-F147 PolarHBondContact O-N 3.49Å; F145-A148 HydrophobicContact CB-CB 3.96Å; F145-A148 HydrophobicContact CD1-CB 3.68Å; F145-A148 HydrophobicContact CG-CB 4.29Å; F145-A148 VanDerWaalsContact O-CB 3.31Å; F145-A148 WeakPolarHBondContact O-CB 3.5Å; F145-A148 PolarHBondContact O-N 2.87Å
146G68.3Low71.6Confident1 Ų146.5 Ų46.51%0.0129%0.287CS..G310 helixtrans-57-32.3175.200000113R50 E51 D144R50-G146 PolarHBondContact NH2-O 3.34Å; E51-G146 WeakPolarHBondContact OE2-CA 3.39Å; D144-G146 PolarHBondContact O-N 3.34Å
147F65.9Low69.1Low18 Ų1845.9 Ų45.98%0.07929%0.287CS..G310 helixtrans-95.2-2.7175.7-61.3-75.7000114.6Y15 R125 D126 F145 Y161Y15-F147 HydrophobicContact CE2-CE1 4.24Å; Y15-F147 AromaticContact CE2-CZ 3.88Å; Y15-F147 HydrophobicContact CE2-CZ 3.88Å; R125-F147 PolarHBondContact NE-O 2.91Å; R125-F147 PolarHBondContact NH2-O 3.35Å; D126-F147 HydrophobicContact CB-CB 4.2Å; D126-F147 HydrophobicContact CB-CD2 3.93Å; D126-F147 HydrophobicContact CB-CG 4.44Å; D126-F147 WeakPolarHBondContact OD2-CD2 3.17Å; F145-F147 PolarHBondContact O-N 3.49Å; F147-Y161 HydrophobicContact CB-CE2 4.05Å; F147-Y161 WeakPolarHBondContact CB-OH 3.32Å; F147-Y161 AromaticContact CD1-CD2 3.94Å; F147-Y161 HydrophobicContact CD1-CD2 3.94Å; F147-Y161 HydrophobicContact CD1-CE1 4.16Å; F147-Y161 AromaticContact CD1-CE2 3.34Å; F147-Y161 HydrophobicContact CD1-CE2 3.34Å; F147-Y161 AromaticContact CD1-CZ 3.49Å; F147-Y161 VanDerWaalsContact CD1-CZ 3.49Å; F147-Y161 HydrophobicContact CD2-CE1 4.22Å; F147-Y161 HydrophobicContact CD2-CE2 4.44Å; F147-Y161 AromaticContact CD2-CZ 3.77Å; F147-Y161 WeakPolarHBondContact CD2-OH 3.2Å; F147-Y161 HydrophobicContact CE1-CD1 4.27Å; F147-Y161 HydrophobicContact CE1-CD2 4.07Å; F147-Y161 HydrophobicContact CE1-CE1 4.02Å; F147-Y161 AromaticContact CE1-CE2 3.84Å; F147-Y161 HydrophobicContact CE1-CE2 3.84Å; F147-Y161 HydrophobicContact CE1-CG 4.31Å; F147-Y161 AromaticContact CE1-CZ 3.83Å; F147-Y161 HydrophobicContact CE2-CE1 4.08Å; F147-Y161 HydrophobicContact CG-CE1 4.26Å; F147-Y161 AromaticContact CG-CE2 3.69Å; F147-Y161 HydrophobicContact CG-CE2 3.69Å; F147-Y161 AromaticContact CG-CZ 3.45Å; F147-Y161 VanDerWaalsContact CG-CZ 3.45Å; F147-Y161 WeakPolarHBondContact CG-OH 3.32Å; F147-Y161 HydrophobicContact CZ-CD1 4.38Å; F147-Y161 AromaticContact CZ-CE1 3.98Å; F147-Y161 HydrophobicContact CZ-CE1 3.98Å
148A54.3Low67.1Low0 Ų048.2 Ų48.20%029%0.29CS..  trans-62.6150.5-177.800000112.4R50 T54 I123 F145R50-A148 WeakPolarHBondContact CD-O 3.41Å; R50-A148 PolarHBondContact NE-O 2.83Å; T54-A148 HydrophobicContact CG2-CB 4.18Å; I123-A148 CarbonylContact O-C 3.44Å; I123-A148 WeakPolarHBondContact O-CA 3.18Å; F145-A148 HydrophobicContact CB-CB 3.96Å; F145-A148 HydrophobicContact CD1-CB 3.68Å; F145-A148 HydrophobicContact CG-CB 4.29Å; F145-A148 VanDerWaalsContact O-CB 3.31Å; F145-A148 WeakPolarHBondContact O-CB 3.5Å; F145-A148 PolarHBondContact O-N 2.87Å
149R66.4Low64.8Low23 Ų2352 Ų529%0.08731%0.31CS..EExtended strand (participates in β ladder)trans-132.7137.6176.3-80.6-175170.8-135.3-1110.9C122 I123 D156 E157 Y158C122-R149 CarbonylContact C-O 3.59Å; C122-R149 WeakPolarHBondContact CA-O 3.25Å; I123-R149 PolarHBondContact N-O 2.81Å; I123-R149 PolarHBondContact O-N 3Å; R149-D156 VanDerWaalsContact CZ-O 3.27Å; R149-D156 PolarHBondContact NH1-O 3.44Å; R149-D156 PolarHBondContact NH2-O 2.67Å; R149-E157 PolarHBondContact NH2-O 2.89Å; R149-Y158 VanDerWaalsContact CZ-CD1 3.46Å; R149-Y158 PolarHBondContact NH1-OH 3.5Å
150L67.3Low62.3Low72 Ų7257 Ų5738%0.37734%0.337SS..EExtended strand (participates in β ladder)trans-83.8137.9166.2-59177.5000108.7N121 C122 T152N121-L150 CarbonylContact O-C 3.22Å; N121-L150 VanDerWaalsContact O-CA 3.26Å; N121-L150 WeakPolarHBondContact O-CA 3.48Å; C122-L150 HydrophobicContact CB-CD2 4.08Å; L150-T152 PolarHBondContact O-N 3.27Å
151L59.2Low59.8Low83 Ų8358.8 Ų58.844%0.43534%0.344SS..SBendtrans-71.8-5.3-177.1-64.9172000114.1N121 I123 G153 T181N121-L151 HydrophobicContact CB-CB 4.17Å; N121-L151 HydrophobicContact CB-CD1 4.27Å; N121-L151 HydrophobicContact CB-CG 4.42Å; N121-L151 WeakPolarHBondContact O-CG 3.38Å; N121-L151 PolarHBondContact O-N 2.92Å; I123-L151 HydrophobicContact CD1-CD2 3.68Å; I123-L151 HydrophobicContact CG1-CD2 3.82Å; I123-L151 HydrophobicContact CG1-CG 4.48Å; L151-G153 PolarHBondContact O-N 2.89Å; L151-T181 HydrophobicContact CD1-CG2 4.48Å
152T46.6Very low57.3Low114 Ų11463.1 Ų63.170%0.69937%0.37SS*.  trans-88.880.4-171.5560000112.5L150L150-T152 PolarHBondContact O-N 3.27Å
153G44.8Very low55.2Low56 Ų5664.4 Ų64.458%0.57738%0.38SS*.  trans145.5127.4161.800000115.5L151L151-G153 PolarHBondContact O-N 2.89Å
154P37.8Very low54.1Low143 Ų14365.5 Ų65.593%0.92939%0.386SS*.THydrogen-bonded Turntrans-74.7128.7166.531.2-31.9000110.2
155G44.6Very low54.4Low71 Ų7164.7 Ų64.773%0.73238%0.38SS*.THydrogen-bonded Turntrans143.8-15.3172.600000116.8E157G155-E157 PolarHBondContact O-N 2.61Å
156D43.4Very low55.2Low82 Ų8266.7 Ų66.744%0.43939%0.387SS..  trans-78.689.8178-113.119000110.4R149 Y158R149-D156 VanDerWaalsContact CZ-O 3.27Å; R149-D156 PolarHBondContact NH1-O 3.44Å; R149-D156 PolarHBondContact NH2-O 2.67Å; D156-Y158 WeakPolarHBondContact O-CE2 3.44Å
157E37.9Very low56.5Low168 Ų16867.3 Ų67.379%0.78539%0.389SS*.  trans-56.9157.9172.2-68.8-177.3156.600112.7R149 G155R149-E157 PolarHBondContact NH2-O 2.89Å; G155-E157 PolarHBondContact O-N 2.61Å
158Y47.4Very low57.9Low93 Ų9367.7 Ų67.737%0.36539%0.39SS..  trans-110111.1-160.3-62-95.4000112.3R149 D156 T177 Y179R149-Y158 VanDerWaalsContact CZ-CD1 3.46Å; R149-Y158 PolarHBondContact NH1-OH 3.5Å; D156-Y158 WeakPolarHBondContact O-CE2 3.44Å; Y158-T177 HydrophobicContact CD2-CG2 3.67Å; Y158-T177 HydrophobicContact CE2-CG2 4.02Å; Y158-T177 VanDerWaalsContact CE2-O 3.27Å; Y158-T177 WeakPolarHBondContact CE2-O 3.36Å; Y158-T177 PolarHBondContact OH-O 3.13Å; Y158-Y179 AromaticContact CD1-CE1 3.71Å; Y158-Y179 HydrophobicContact CD1-CE1 3.71Å; Y158-Y179 AromaticContact CD1-CZ 3.91Å; Y158-Y179 VanDerWaalsContact CD1-OH 3.31Å; Y158-Y179 WeakPolarHBondContact CD1-OH 3.28Å; Y158-Y179 AromaticContact CE1-CE1 3.47Å; Y158-Y179 HydrophobicContact CE1-CE1 3.47Å; Y158-Y179 VanDerWaalsContact CE1-CE1 3.47Å; Y158-Y179 AromaticContact CE1-CZ 3.55Å; Y158-Y179 WeakPolarHBondContact CE1-OH 3.49Å
159T41.2Very low59.9Low94 Ų9467.7 Ų67.758%0.57739%0.39SS*.  trans-76124.3172.6550000111.4
160D41.6Very low61.3Low105 Ų10566.6 Ų66.656%0.56139%0.386SS*.  trans-69.4164164.6-167.615.4000111R168D160-R168 IonicContact OD1-CZ 3.64Å; D160-R168 IonicContact OD1-NH1 2.6Å; D160-R168 PolarHBondContact OD1-NH1 3.38Å
161Y44Very low62.7Low40 Ų4063.2 Ų63.216%0.15737%0.369CS..  -141.8120.2-121.3-164.3-67.5000111.4R125 D126 F147 A163 R168R125-Y161 PolarHBondContact O-OH 2.96Å; D126-Y161 WeakPolarHBondContact CB-OH 3.42Å; D126-Y161 PolarHBondContact OD1-OH 2.81Å; F147-Y161 HydrophobicContact CB-CE2 4.05Å; F147-Y161 WeakPolarHBondContact CB-OH 3.32Å; F147-Y161 AromaticContact CD1-CD2 3.94Å; F147-Y161 HydrophobicContact CD1-CD2 3.94Å; F147-Y161 HydrophobicContact CD1-CE1 4.16Å; F147-Y161 AromaticContact CD1-CE2 3.34Å; F147-Y161 HydrophobicContact CD1-CE2 3.34Å; F147-Y161 AromaticContact CD1-CZ 3.49Å; F147-Y161 VanDerWaalsContact CD1-CZ 3.49Å; F147-Y161 HydrophobicContact CD2-CE1 4.22Å; F147-Y161 HydrophobicContact CD2-CE2 4.44Å; F147-Y161 AromaticContact CD2-CZ 3.77Å; F147-Y161 WeakPolarHBondContact CD2-OH 3.2Å; F147-Y161 HydrophobicContact CE1-CD1 4.27Å; F147-Y161 HydrophobicContact CE1-CD2 4.07Å; F147-Y161 HydrophobicContact CE1-CE1 4.02Å; F147-Y161 AromaticContact CE1-CE2 3.84Å; F147-Y161 HydrophobicContact CE1-CE2 3.84Å; F147-Y161 HydrophobicContact CE1-CG 4.31Å; F147-Y161 AromaticContact CE1-CZ 3.83Å; F147-Y161 HydrophobicContact CE2-CE1 4.08Å; F147-Y161 HydrophobicContact CG-CE1 4.26Å; F147-Y161 AromaticContact CG-CE2 3.69Å; F147-Y161 HydrophobicContact CG-CE2 3.69Å; F147-Y161 AromaticContact CG-CZ 3.45Å; F147-Y161 VanDerWaalsContact CG-CZ 3.45Å; F147-Y161 WeakPolarHBondContact CG-OH 3.32Å; F147-Y161 HydrophobicContact CZ-CD1 4.38Å; F147-Y161 AromaticContact CZ-CE1 3.98Å; F147-Y161 HydrophobicContact CZ-CE1 3.98Å; Y161-A163 VanDerWaalsContact C-N 3.27Å; Y161-A163 HydrophobicContact CD1-CB 3.85Å; Y161-A163 HydrophobicContact CE1-CB 3.72Å; Y161-A163 PolarHBondContact O-N 3.38Å; Y161-R168 PolarHBondContact O-NH2 2.88Å
162V42.4Very low64.3Low92 Ų9261.3 Ų61.356%0.55836%0.358SS*.SBendtrans-86.951.9-168.7-161.70000112.4
163A53.9Low66.5Low26 Ų2656.1 Ų56.122%0.21533%0.326CS..SBendtrans-152.8162.7179.300000114.6Y161 R165 R168Y161-A163 VanDerWaalsContact C-N 3.27Å; Y161-A163 HydrophobicContact CD1-CB 3.85Å; Y161-A163 HydrophobicContact CE1-CB 3.72Å; Y161-A163 PolarHBondContact O-N 3.38Å; A163-R165 PolarHBondContact O-N 3.41Å; A163-R165 VanDerWaalsContact O-N 3.13Å; A163-R168 PolarHBondContact O-NH2 3.33Å; A163-R168 VanDerWaalsContact O-NH2 3.09Å
164T68.8Low68.8Low42 Ų4253.4 Ų53.426%0.25830%0.299SS..  trans-43.9107.9-178.7-48.40000113.4W166 Y167T164-W166 HydrophobicContact CG2-CB 4.09Å; T164-W166 HydrophobicContact CG2-CD2 3.42Å; T164-W166 VanDerWaalsContact CG2-CD2 3.42Å; T164-W166 HydrophobicContact CG2-CE3 3.51Å; T164-W166 HydrophobicContact CG2-CG 3.67Å; T164-W166 HydrophobicContact CG2-CZ3 4.19Å; T164-W166 PolarHBondContact O-N 3.17Å; T164-Y167 HydrophobicContact CG2-CD2 4.4Å; T164-Y167 HydrophobicContact CG2-CE2 3.88Å
165R88.8Confident71.2Confident34 Ų3448.4 Ų48.413%0.12827%0.273CS..G310 helixtrans-70.2-10.3-176.268.4178.161.183.2-4.3116A163 Y167 R168 L173 G204 R205 S206 D207 Q210A163-R165 PolarHBondContact O-N 3.41Å; A163-R165 VanDerWaalsContact O-N 3.13Å; R165-Y167 PolarHBondContact O-N 3.19Å; R165-R168 HydrophobicContact CB-CG 4.42Å; R165-R168 WeakPolarHBondContact O-CB 3.29Å; R165-R168 PolarHBondContact O-N 2.94Å; R165-L173 HydrophobicContact CB-CD2 4.49Å; R165-G204 WeakPolarHBondContact CD-O 3.28Å; R165-G204 PolarHBondContact NH1-O 3.48Å; R165-G204 VanDerWaalsContact NH1-O 3.11Å; R165-R205 PolarHBondContact NH1-O 3.19Å; R165-S206 VanDerWaalsContact CD-C 3.46Å; R165-S206 WeakPolarHBondContact CD-O 3.41Å; R165-S206 VanDerWaalsContact NE-C 3.28Å; R165-D207 IonicContact CZ-OD1 3.95Å; R165-D207 VanDerWaalsContact CZ-OD1 3.27Å; R165-D207 IonicContact NE-OD1 2.63Å; R165-D207 PolarHBondContact NE-OD1 2.94Å; R165-D207 IonicContact NE-OD2 3.28Å; R165-D207 IonicContact NH2-OD1 3.33Å; R165-D207 PolarHBondContact NH2-OD1 3.35Å; R165-Q210 HydrophobicContact CG-CB 4.24Å; R165-Q210 HydrophobicContact CG-CG 4.19Å
166W94.6Very high73.5Confident44 Ų4445.5 Ų45.517%0.16724%0.24CC..G310 helixtrans-62-18.8-168.7-53.5-21000114.4T164 P200 P203 G204T164-W166 HydrophobicContact CG2-CB 4.09Å; T164-W166 HydrophobicContact CG2-CD2 3.42Å; T164-W166 VanDerWaalsContact CG2-CD2 3.42Å; T164-W166 HydrophobicContact CG2-CE3 3.51Å; T164-W166 HydrophobicContact CG2-CG 3.67Å; T164-W166 HydrophobicContact CG2-CZ3 4.19Å; T164-W166 PolarHBondContact O-N 3.17Å; W166-P200 HydrophobicContact CD2-CB 4.17Å; W166-P200 HydrophobicContact CD2-CG 4.46Å; W166-P200 HydrophobicContact CE3-CB 3.6Å; W166-P200 HydrophobicContact CE3-CG 3.51Å; W166-P200 HydrophobicContact CH2-CG 4.34Å; W166-P200 HydrophobicContact CZ3-CB 4.06Å; W166-P200 HydrophobicContact CZ3-CG 3.45Å; W166-P200 VanDerWaalsContact CZ3-CG 3.45Å; W166-P203 HydrophobicContact CD2-CB 4.34Å; W166-P203 HydrophobicContact CZ2-CB 4.07Å; W166-G204 VanDerWaalsContact CD1-N 3.3Å; W166-G204 PolarHBondContact NE1-O 2.92Å; W166-G204 VanDerWaalsContact NE1-O 3.1Å
167Y96.1Very high75.6Confident13 Ų1345.1 Ų45.15%0.05124%0.241CC..G310 helixtrans-108.10.6179.6-41.7-83000112.9V127 K128 P129 T164 R165 A187 C190 V191 E194 R351V127-Y167 WeakPolarHBondContact O-CB 3.39Å; K128-Y167 HydrophobicContact CB-CD2 3.48Å; K128-Y167 VanDerWaalsContact CB-CD2 3.48Å; K128-Y167 HydrophobicContact CB-CE2 3.68Å; K128-Y167 HydrophobicContact CB-CG 3.96Å; P129-Y167 WeakPolarHBondContact CD-OH 3.48Å; P129-Y167 HydrophobicContact CG-CE1 4.19Å; T164-Y167 HydrophobicContact CG2-CD2 4.4Å; T164-Y167 HydrophobicContact CG2-CE2 3.88Å; R165-Y167 PolarHBondContact O-N 3.19Å; Y167-A187 WeakPolarHBondContact O-CB 3.24Å; Y167-C190 HydrophobicContact CD1-CB 3.74Å; Y167-C190 HydrophobicContact CE1-CB 4.46Å; Y167-V191 HydrophobicContact CD1-CG2 3.99Å; Y167-V191 HydrophobicContact CE1-CG2 4.2Å; Y167-E194 VanDerWaalsContact CE1-OE2 3.3Å; Y167-E194 WeakPolarHBondContact CE1-OE2 3.29Å; Y167-E194 PolarHBondContact OH-OE2 3.47Å; Y167-R351 PolarHBondContact OH-NH2 3.05Å
168R94.8Very high78Confident26 Ų2643.9 Ų43.910%0.09824%0.235CC..  trans-70.7137.5175.6-65.3179.3-162.9-164.1-0.3110D160 Y161 A163 R165 L172 L173 W186 D207D160-R168 IonicContact OD1-CZ 3.64Å; D160-R168 IonicContact OD1-NH1 2.6Å; D160-R168 PolarHBondContact OD1-NH1 3.38Å; Y161-R168 PolarHBondContact O-NH2 2.88Å; A163-R168 PolarHBondContact O-NH2 3.33Å; A163-R168 VanDerWaalsContact O-NH2 3.09Å; R165-R168 HydrophobicContact CB-CG 4.42Å; R165-R168 WeakPolarHBondContact O-CB 3.29Å; R165-R168 PolarHBondContact O-N 2.94Å; R168-L172 HydrophobicContact CB-CB 4.31Å; R168-L173 HydrophobicContact CB-CD1 4.32Å; R168-L173 HydrophobicContact CB-CD2 3.91Å; R168-L173 HydrophobicContact CB-CG 3.82Å; R168-L173 HydrophobicContact CG-CD2 4.48Å; R168-W186 PolarHBondContact O-NE1 3.12Å; R168-D207 IonicContact CZ-OD2 3.27Å; R168-D207 IonicContact NE-OD2 2.64Å; R168-D207 IonicContact NH1-OD2 2.93Å; R168-D207 PolarHBondContact NH1-OD2 3Å
169A96.7Very high80.1Confident0 Ų040.5 Ų40.50%022%0.222CC..  trans-74.4157.8172.500000112E171 L172 L173 V183 W186A169-E171 VanDerWaalsContact C-N 3.28Å; A169-E171 VanDerWaalsContact CB-CD 3.41Å; A169-E171 HydrophobicContact CB-CG 4.15Å; A169-E171 WeakPolarHBondContact CB-OE1 3.48Å; A169-E171 WeakPolarHBondContact CB-OE2 3.5Å; A169-E171 PolarHBondContact O-N 3.4Å; A169-L172 WeakPolarHBondContact O-CB 3.49Å; A169-L172 PolarHBondContact O-N 3.48Å; A169-L173 PolarHBondContact O-N 2.79Å; A169-L173 VanDerWaalsContact O-N 3.12Å; A169-V183 HydrophobicContact CB-CB 4.31Å; A169-V183 HydrophobicContact CB-CG1 4.24Å; A169-W186 VanDerWaalsContact CA-CD1 3.45Å; A169-W186 HydrophobicContact CB-CB 3.78Å; A169-W186 HydrophobicContact CB-CD2 4.17Å; A169-W186 HydrophobicContact CB-CG 3.66Å
170P96.2Very high82.5Confident0 Ų037.3 Ų37.30%021%0.208CC..Hα-helixtrans-53.1-41.5-179.9-27.335.5000113.6L172 L173 V174 W186 I214 L221 M274P170-L172 VanDerWaalsContact C-N 3.31Å; P170-L172 PolarHBondContact O-N 3.21Å; P170-L173 PolarHBondContact O-N 3.38Å; P170-L173 VanDerWaalsContact O-N 3.12Å; P170-V174 PolarHBondContact O-N 2.95Å; P170-W186 HydrophobicContact CG-CE3 4.41Å; P170-W186 HydrophobicContact CG-CH2 3.63Å; P170-W186 HydrophobicContact CG-CZ2 4.02Å; P170-W186 HydrophobicContact CG-CZ3 3.85Å; P170-I214 HydrophobicContact CG-CG2 4.35Å; P170-L221 HydrophobicContact CB-CD2 3.99Å; P170-M274 HydrophobicContact CG-CE 4.39Å; P170-M274 HydrophobicContact CG-SD 4.04Å
171E95.3Very high85.1Confident2 Ų234.2 Ų34.21%0.00919%0.193CC..Hα-helixtrans-58.4-38.8176.257-90.2-148.900113.1A169 V174 G175 D176 V183 H225 R279A169-E171 VanDerWaalsContact C-N 3.28Å; A169-E171 VanDerWaalsContact CB-CD 3.41Å; A169-E171 HydrophobicContact CB-CG 4.15Å; A169-E171 WeakPolarHBondContact CB-OE1 3.48Å; A169-E171 WeakPolarHBondContact CB-OE2 3.5Å; A169-E171 PolarHBondContact O-N 3.4Å; E171-V174 WeakPolarHBondContact O-CG2 3.41Å; E171-G175 PolarHBondContact O-N 2.97Å; E171-D176 HydrophobicContact CB-CB 4.1Å; E171-D176 WeakPolarHBondContact O-CB 3.34Å; E171-D176 PolarHBondContact O-N 3.44Å; E171-V183 HydrophobicContact CG-CG1 3.81Å; E171-V183 WeakPolarHBondContact OE1-CG1 3.22Å; E171-H225 IonicContact OE2-CE1 2.97Å; E171-R279 IonicContact OE1-CZ 3.59Å; E171-R279 IonicContact OE1-NH1 3.44Å; E171-R279 PolarHBondContact OE1-NH1 2.68Å; E171-R279 IonicContact OE1-NH2 2.79Å; E171-R279 PolarHBondContact OE1-NH2 2.91Å; E171-R279 IonicContact OE2-CZ 2.66Å; E171-R279 IonicContact OE2-NH1 3.92Å; E171-R279 PolarHBondContact OE2-NH1 3.26Å; E171-R279 IonicContact OE2-NH2 2.68Å; E171-R279 PolarHBondContact OE2-NH2 3.42Å
172L93Very high87.7Confident42 Ų4233.6 Ų33.622%0.2219%0.194CC..Hα-helixtrans-73.8-30.6177.1-65.7179.1000112R168 A169 P170 Y179 V183R168-L172 HydrophobicContact CB-CB 4.31Å; A169-L172 WeakPolarHBondContact O-CB 3.49Å; A169-L172 PolarHBondContact O-N 3.48Å; P170-L172 VanDerWaalsContact C-N 3.31Å; P170-L172 PolarHBondContact O-N 3.21Å; L172-Y179 HydrophobicContact CD2-CD1 3.53Å; L172-Y179 HydrophobicContact CD2-CD2 3.98Å; L172-Y179 HydrophobicContact CD2-CE1 3.43Å; L172-Y179 VanDerWaalsContact CD2-CE1 3.43Å; L172-Y179 HydrophobicContact CD2-CE2 3.92Å; L172-Y179 HydrophobicContact CD2-CG 3.81Å; L172-V183 HydrophobicContact CD1-CB 3.9Å; L172-V183 HydrophobicContact CD1-CG1 3.97Å; L172-V183 HydrophobicContact CD1-CG2 4.42Å; L172-V183 HydrophobicContact CD2-CG1 4.18Å; L172-V183 HydrophobicContact CG-CB 4.36Å; L172-V183 HydrophobicContact CG-CG1 3.86Å
173L92.8Very high90.3Very high5 Ų529.4 Ų29.43%0.02617%0.168CC..Hα-helixtrans-78-33-179.4-70.7164.8000112.7R165 R168 A169 P170 G175 D207 Q210 L211 I214 F235R165-L173 HydrophobicContact CB-CD2 4.49Å; R168-L173 HydrophobicContact CB-CD1 4.32Å; R168-L173 HydrophobicContact CB-CD2 3.91Å; R168-L173 HydrophobicContact CB-CG 3.82Å; R168-L173 HydrophobicContact CG-CD2 4.48Å; A169-L173 PolarHBondContact O-N 2.79Å; A169-L173 VanDerWaalsContact O-N 3.12Å; P170-L173 PolarHBondContact O-N 3.38Å; P170-L173 VanDerWaalsContact O-N 3.12Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-D207 HydrophobicContact CD2-CB 3.99Å; L173-D207 WeakPolarHBondContact CD2-OD2 3.22Å; L173-Q210 HydrophobicContact CD1-CB 4.24Å; L173-Q210 HydrophobicContact CD1-CG 3.54Å; L173-Q210 HydrophobicContact CD2-CB 4.13Å; L173-Q210 HydrophobicContact CD2-CG 3.89Å; L173-Q210 HydrophobicContact CG-CG 4.4Å; L173-L211 HydrophobicContact CB-CD1 4.17Å; L173-L211 HydrophobicContact CB-CD2 3.67Å; L173-L211 HydrophobicContact CB-CG 3.8Å; L173-L211 HydrophobicContact CD1-CD2 4.12Å; L173-L211 HydrophobicContact CD1-CG 4.3Å; L173-I214 HydrophobicContact CD1-CD1 3.56Å; L173-F235 WeakPolarHBondContact O-CE2 3.38Å; L173-F235 VanDerWaalsContact O-CZ 3.24Å; L173-F235 WeakPolarHBondContact O-CZ 3.47Å
174V92.9Very high92.4Very high0 Ų028.1 Ų28.10%016%0.158CC..Hα-helixtrans-79.5-18.6173.6-57.40000112.9P170 E171 D176 L211 L221 H225 I228 F229 N232P170-V174 PolarHBondContact O-N 2.95Å; E171-V174 WeakPolarHBondContact O-CG2 3.41Å; V174-D176 HydrophobicContact CG2-CB 4.44Å; V174-L211 HydrophobicContact CG1-CD1 4.22Å; V174-L211 HydrophobicContact CG1-CD2 4.1Å; V174-L221 HydrophobicContact CG1-CD1 3.68Å; V174-L221 HydrophobicContact CG1-CD2 4.26Å; V174-H225 HydrophobicContact CG1-CB 4.33Å; V174-H225 HydrophobicContact CG2-CB 4.06Å; V174-I228 HydrophobicContact CB-CG2 4.35Å; V174-I228 HydrophobicContact CG2-CB 4.28Å; V174-I228 HydrophobicContact CG2-CG2 3.95Å; V174-F229 HydrophobicContact CB-CB 4.1Å; V174-F229 HydrophobicContact CG1-CB 3.93Å; V174-F229 HydrophobicContact CG1-CD2 4.29Å; V174-N232 PolarHBondContact O-ND2 3.13Å
175G89.9Confident93.8Very high37 Ų3726.3 Ų26.338%0.38115%0.146SC..THydrogen-bonded Turntrans90.232.9-17800000114.2E171 L173E171-G175 PolarHBondContact O-N 2.97Å; L173-G175 VanDerWaalsContact C-N 3.34Å
176D91.9Very high94.3Very high10 Ų1024.7 Ų24.75%0.05314%0.14CC..  trans-63.5141.1169.7-160.8-27.8000110.1E171 V174 Q178 Y179 R224 H225 I228E171-D176 HydrophobicContact CB-CB 4.1Å; E171-D176 WeakPolarHBondContact O-CB 3.34Å; E171-D176 PolarHBondContact O-N 3.44Å; V174-D176 HydrophobicContact CG2-CB 4.44Å; D176-Q178 PolarHBondContact OD1-N 3.3Å; D176-Y179 VanDerWaalsContact O-CD1 3.31Å; D176-Y179 WeakPolarHBondContact O-CD1 3.48Å; D176-R224 VanDerWaalsContact CG-NH2 3.32Å; D176-R224 IonicContact OD1-CZ 3.86Å; D176-R224 IonicContact OD1-NE 2.85Å; D176-R224 IonicContact OD1-NH2 3.19Å; D176-R224 PolarHBondContact OD1-NH2 3.39Å; D176-R224 IonicContact OD2-CZ 2.64Å; D176-R224 IonicContact OD2-NE 2.72Å; D176-R224 PolarHBondContact OD2-NE 2.97Å; D176-R224 IonicContact OD2-NH2 2.76Å; D176-R224 PolarHBondContact OD2-NH2 3.33Å; D176-H225 IonicContact OD2-CD2 2.75Å; D176-I228 HydrophobicContact CB-CD1 3.82Å; D176-I228 WeakPolarHBondContact OD2-CD1 3.5Å
177T87.4Confident94.4Very high75 Ų7522.8 Ų22.846%0.4613%0.134SC..SBendtrans-106.1-3.1-179.457.20000113Y158Y158-T177 HydrophobicContact CD2-CG2 3.67Å; Y158-T177 HydrophobicContact CE2-CG2 4.02Å; Y158-T177 VanDerWaalsContact CE2-O 3.27Å; Y158-T177 WeakPolarHBondContact CE2-O 3.36Å; Y158-T177 PolarHBondContact OH-O 3.13Å
178Q88.8Confident94.5Very high141 Ų14122.1 Ų22.166%0.65913%0.131SC*.SBendtrans-117.530.8-178.2-53177.1-3200112.4D176D176-Q178 PolarHBondContact OD1-N 3.3Å
179Y90.3Very high94.7Very high23 Ų2320.9 Ų20.99%0.0913%0.127CC..  trans-75.5154.8173.465.9-95000112.1I123 R125 Y158 L172 D176 V183I123-Y179 HydrophobicContact CD1-CD2 4.28Å; I123-Y179 HydrophobicContact CD1-CE2 4.09Å; R125-Y179 WeakPolarHBondContact CD-OH 3.47Å; R125-Y179 HydrophobicContact CG-CE2 4.4Å; R125-Y179 PolarHBondContact NH1-OH 2.89Å; Y158-Y179 AromaticContact CD1-CE1 3.71Å; Y158-Y179 HydrophobicContact CD1-CE1 3.71Å; Y158-Y179 AromaticContact CD1-CZ 3.91Å; Y158-Y179 VanDerWaalsContact CD1-OH 3.31Å; Y158-Y179 WeakPolarHBondContact CD1-OH 3.28Å; Y158-Y179 AromaticContact CE1-CE1 3.47Å; Y158-Y179 HydrophobicContact CE1-CE1 3.47Å; Y158-Y179 VanDerWaalsContact CE1-CE1 3.47Å; Y158-Y179 AromaticContact CE1-CZ 3.55Å; Y158-Y179 WeakPolarHBondContact CE1-OH 3.49Å; L172-Y179 HydrophobicContact CD2-CD1 3.53Å; L172-Y179 HydrophobicContact CD2-CD2 3.98Å; L172-Y179 HydrophobicContact CD2-CE1 3.43Å; L172-Y179 VanDerWaalsContact CD2-CE1 3.43Å; L172-Y179 HydrophobicContact CD2-CE2 3.92Å; L172-Y179 HydrophobicContact CD2-CG 3.81Å; D176-Y179 VanDerWaalsContact O-CD1 3.31Å; D176-Y179 WeakPolarHBondContact O-CD1 3.48Å; Y179-V183 HydrophobicContact CD2-CG1 3.64Å; Y179-V183 HydrophobicContact CD2-CG2 4.21Å; Y179-V183 HydrophobicContact CE2-CG2 4.48Å; Y179-V183 HydrophobicContact CG-CG1 3.98Å
180G93Very high94.8Very high26 Ų2621 Ų2127%0.26813%0.127SC..  trans-119.2-154.5178.800000113.8P182 V183G180-P182 VanDerWaalsContact C-N 3.31Å; G180-V183 WeakPolarHBondContact O-CG2 3.44Å; G180-V183 PolarHBondContact O-N 3.25Å
181T96.2Very high94.9Very high40 Ų4021 Ų2125%0.24513%0.127CC..THydrogen-bonded Turntrans-56-24174.151.40000116.5H118 I123 L151 V183 D184H118-T181 HydrophobicContact CB-CG2 4.1Å; H118-T181 WeakPolarHBondContact CD2-CG2 3.28Å; H118-T181 PolarHBondContact NE2-O 3.01Å; H118-T181 VanDerWaalsContact NE2-O 3.17Å; I123-T181 HydrophobicContact CG1-CG2 4.25Å; L151-T181 HydrophobicContact CD1-CG2 4.48Å; T181-V183 PolarHBondContact O-N 3.37Å; T181-D184 PolarHBondContact O-N 2.75Å
182P97.7Very high95.1Very high28 Ų2821 Ų2118%0.18213%0.127CC..Hα-helixtrans-61.3-13.2177.4-27.937.9000116.3G180 I185 W186 P276 R279G180-P182 VanDerWaalsContact C-N 3.31Å; P182-I185 PolarHBondContact O-N 3.49Å; P182-W186 PolarHBondContact O-N 2.86Å; P182-W186 VanDerWaalsContact O-N 3.15Å; P182-P276 HydrophobicContact CB-CB 3.88Å; P182-P276 VanDerWaalsContact CB-O 3.28Å; P182-P276 WeakPolarHBondContact CB-O 3.42Å; P182-P276 HydrophobicContact CG-CB 4.31Å; P182-P276 WeakPolarHBondContact CG-O 3.49Å; P182-R279 HydrophobicContact CB-CB 4.44Å; P182-R279 PolarHBondContact O-NH1 2.81Å
183V96.9Very high95.3Very high3 Ų319 Ų192%0.01812%0.117CC..Hα-helixtrans-67.8-35.9174.7-56.80000112.4I123 R125 A169 E171 L172 Y179 G180 T181 I185 A187I123-V183 HydrophobicContact CG2-CG2 3.54Å; R125-V183 HydrophobicContact CG-CG2 4.4Å; A169-V183 HydrophobicContact CB-CB 4.31Å; A169-V183 HydrophobicContact CB-CG1 4.24Å; E171-V183 HydrophobicContact CG-CG1 3.81Å; E171-V183 WeakPolarHBondContact OE1-CG1 3.22Å; L172-V183 HydrophobicContact CD1-CB 3.9Å; L172-V183 HydrophobicContact CD1-CG1 3.97Å; L172-V183 HydrophobicContact CD1-CG2 4.42Å; L172-V183 HydrophobicContact CD2-CG1 4.18Å; L172-V183 HydrophobicContact CG-CB 4.36Å; L172-V183 HydrophobicContact CG-CG1 3.86Å; Y179-V183 HydrophobicContact CD2-CG1 3.64Å; Y179-V183 HydrophobicContact CD2-CG2 4.21Å; Y179-V183 HydrophobicContact CE2-CG2 4.48Å; Y179-V183 HydrophobicContact CG-CG1 3.98Å; G180-V183 WeakPolarHBondContact O-CG2 3.44Å; G180-V183 PolarHBondContact O-N 3.25Å; T181-V183 PolarHBondContact O-N 3.37Å; V183-I185 VanDerWaalsContact C-N 3.33Å; V183-A187 PolarHBondContact O-N 3.01Å
184D97.7Very high95.5Very high0 Ų018.7 Ų18.70%012%0.115CC..Hα-helixtrans-72.9-31.5177.3-71-25.1000110.7V114 I123 H124 R125 V127 T181 A187 I188V114-D184 HydrophobicContact CG1-CB 3.93Å; I123-D184 VanDerWaalsContact CG2-OD2 3.27Å; I123-D184 WeakPolarHBondContact CG2-OD2 3.44Å; H124-D184 WeakPolarHBondContact CB-OD2 3.49Å; H124-D184 PolarHBondContact N-OD2 2.95Å; R125-D184 WeakPolarHBondContact CA-OD1 3.4Å; R125-D184 PolarHBondContact N-OD1 2.92Å; V127-D184 HydrophobicContact CG2-CB 4.42Å; T181-D184 PolarHBondContact O-N 2.75Å; D184-A187 PolarHBondContact O-N 3.39Å; D184-I188 VanDerWaalsContact O-CG1 3.29Å; D184-I188 WeakPolarHBondContact O-CG1 3.49Å; D184-I188 PolarHBondContact O-N 3.36Å
185I98.6Very high95.8Very high3 Ų318.8 Ų18.82%0.01512%0.116CC..Hα-helixtrans-64.9-45.7175.4-56.6-51.5000111.4H118 P182 V183 A187 I188 G189 C271 R279 L280 L285H118-I185 WeakPolarHBondContact NE2-CD1 3.33Å; H118-I185 WeakPolarHBondContact NE2-CG1 3.29Å; P182-I185 PolarHBondContact O-N 3.49Å; V183-I185 VanDerWaalsContact C-N 3.33Å; I185-A187 VanDerWaalsContact C-N 3.32Å; I185-A187 PolarHBondContact O-N 3.45Å; I185-I188 WeakPolarHBondContact O-CB 3.36Å; I185-I188 PolarHBondContact O-N 3.09Å; I185-G189 PolarHBondContact O-N 3.41Å; I185-C271 HydrophobicContact CG2-CB 4.22Å; I185-R279 HydrophobicContact CG2-CB 4.22Å; I185-L280 WeakPolarHBondContact CG2-O 3.37Å; I185-L285 HydrophobicContact CD1-CD1 4.19Å; I185-L285 HydrophobicContact CG2-CD1 3.61Å
186W98.6Very high96.1Very high0 Ų017.1 Ų17.10%010%0.098CC..Hα-helixtrans-57.7-46.4173.7176.3-82.6000111.7R168 A169 P170 P182 I188 G189 C190 W202 I214 L218 C271 L272 M274R168-W186 PolarHBondContact O-NE1 3.12Å; A169-W186 VanDerWaalsContact CA-CD1 3.45Å; A169-W186 HydrophobicContact CB-CB 3.78Å; A169-W186 HydrophobicContact CB-CD2 4.17Å; A169-W186 HydrophobicContact CB-CG 3.66Å; P170-W186 HydrophobicContact CG-CE3 4.41Å; P170-W186 HydrophobicContact CG-CH2 3.63Å; P170-W186 HydrophobicContact CG-CZ2 4.02Å; P170-W186 HydrophobicContact CG-CZ3 3.85Å; P182-W186 PolarHBondContact O-N 2.86Å; P182-W186 VanDerWaalsContact O-N 3.15Å; W186-I188 VanDerWaalsContact C-N 3.33Å; W186-I188 PolarHBondContact O-N 2.77Å; W186-G189 WeakPolarHBondContact O-CA 3.3Å; W186-G189 PolarHBondContact O-N 3.33Å; W186-C190 PolarHBondContact O-N 2.98Å; W186-W202 AromaticContact CE2-CZ3 4Å; W186-W202 HydrophobicContact CH2-CH2 4.05Å; W186-W202 HydrophobicContact CH2-CZ3 4.06Å; W186-W202 HydrophobicContact CZ2-CE3 4.18Å; W186-W202 AromaticContact CZ2-CH2 3.9Å; W186-W202 HydrophobicContact CZ2-CH2 3.9Å; W186-W202 AromaticContact CZ2-CZ3 3.43Å; W186-W202 HydrophobicContact CZ2-CZ3 3.43Å; W186-W202 VanDerWaalsContact CZ2-CZ3 3.43Å; W186-I214 HydrophobicContact CH2-CG2 3.78Å; W186-I214 HydrophobicContact CZ2-CD1 3.77Å; W186-I214 HydrophobicContact CZ2-CG1 4.01Å; W186-I214 HydrophobicContact CZ2-CG2 4.08Å; W186-L218 HydrophobicContact CH2-CD1 3.57Å; W186-L218 HydrophobicContact CZ3-CD1 3.98Å; W186-C271 WeakPolarHBondContact CA-O 3.39Å; W186-L272 HydrophobicContact CD2-CD2 3.79Å; W186-L272 HydrophobicContact CE3-CB 4.42Å; W186-L272 HydrophobicContact CE3-CD2 3.92Å; W186-L272 HydrophobicContact CG-CD2 4.2Å; W186-L272 HydrophobicContact CZ2-CD2 4.44Å; W186-L272 HydrophobicContact CZ3-CB 4.32Å; W186-L272 HydrophobicContact CZ3-CD2 4.33Å; W186-L272 WeakPolarHBondContact CZ3-O 3.43Å; W186-M274 HydrophobicContact CH2-SD 4.22Å; W186-M274 HydrophobicContact CZ3-SD 4.48Å
187A98.1Very high96.3Very high4 Ų417.4 Ų17.43%0.03310%0.1CC..Hα-helixtrans-62.4-38.2178.500000112.4V127 Y167 V183 D184 I185 C190 V191V127-A187 HydrophobicContact CB-CB 3.81Å; V127-A187 HydrophobicContact CG1-CB 4.33Å; Y167-A187 WeakPolarHBondContact O-CB 3.24Å; V183-A187 PolarHBondContact O-N 3.01Å; D184-A187 PolarHBondContact O-N 3.39Å; I185-A187 VanDerWaalsContact C-N 3.32Å; I185-A187 PolarHBondContact O-N 3.45Å; A187-C190 PolarHBondContact O-N 2.86Å; A187-V191 WeakPolarHBondContact O-CB 3.31Å; A187-V191 VanDerWaalsContact O-CG2 3.32Å; A187-V191 WeakPolarHBondContact O-CG2 3.34Å; A187-V191 PolarHBondContact O-N 3.04Å
188I98.6Very high96.6Very high0 Ų014 Ų140%08%0.08CC..Hα-helixtrans-59.4-45.3169.3-69.3167.8000110.7T107 L110 L111 V114 V127 D184 I185 W186 C190 V191 V192T107-I188 HydrophobicContact CG2-CG2 4.47Å; L110-I188 HydrophobicContact CD2-CG1 3.9Å; L110-I188 HydrophobicContact CD2-CG2 4.49Å; L110-I188 HydrophobicContact CG-CD1 4.41Å; L110-I188 HydrophobicContact CG-CG1 4.07Å; L111-I188 HydrophobicContact CD2-CD1 3.79Å; L111-I188 HydrophobicContact CG-CD1 4.4Å; V114-I188 HydrophobicContact CB-CD1 4.09Å; V114-I188 HydrophobicContact CG1-CD1 4.08Å; V114-I188 HydrophobicContact CG2-CD1 4.05Å; V127-I188 HydrophobicContact CG1-CG1 4.32Å; D184-I188 VanDerWaalsContact O-CG1 3.29Å; D184-I188 WeakPolarHBondContact O-CG1 3.49Å; D184-I188 PolarHBondContact O-N 3.36Å; I185-I188 WeakPolarHBondContact O-CB 3.36Å; I185-I188 PolarHBondContact O-N 3.09Å; W186-I188 VanDerWaalsContact C-N 3.33Å; W186-I188 PolarHBondContact O-N 2.77Å; I188-C190 PolarHBondContact O-N 3.13Å; I188-V191 PolarHBondContact O-N 2.99Å; I188-V191 VanDerWaalsContact O-N 3.17Å; I188-V192 HydrophobicContact CG2-CG2 4.25Å; I188-V192 WeakPolarHBondContact O-CG2 3.37Å; I188-V192 PolarHBondContact O-N 2.91Å
189G98.6Very high96.8Very high0 Ų011.7 Ų11.70%07%0.071CC..Hα-helixtrans-54.8-49.1175.300000112.8I185 W186 V191 V192 A193 L268I185-G189 PolarHBondContact O-N 3.41Å; W186-G189 WeakPolarHBondContact O-CA 3.3Å; W186-G189 PolarHBondContact O-N 3.33Å; G189-V191 PolarHBondContact O-N 3.06Å; G189-V192 PolarHBondContact O-N 3.48Å; G189-A193 WeakPolarHBondContact O-CB 3.23Å; G189-A193 PolarHBondContact O-N 3.43Å; G189-L268 WeakPolarHBondContact O-CD2 3.26Å
190C98.5Very high97Very high1 Ų111.4 Ų11.41%0.0077%0.072CC..Hα-helixtrans-61.3-41.8174.6-73.10000112.9Y167 W186 A187 I188 A193 E194Y167-C190 HydrophobicContact CD1-CB 3.74Å; Y167-C190 HydrophobicContact CE1-CB 4.46Å; W186-C190 PolarHBondContact O-N 2.98Å; A187-C190 PolarHBondContact O-N 2.86Å; I188-C190 PolarHBondContact O-N 3.13Å; C190-A193 PolarHBondContact O-N 3.34Å; C190-E194 PolarHBondContact O-N 3.4Å
191V98.3Very high97.2Very high0 Ų010.8 Ų10.80%06%0.063CC..Hα-helixtrans-66.1-39.3178.5167.20000111.7L87 L110 V127 P129 I132 Y167 A187 I188 G189 E194 M195L87-V191 HydrophobicContact CD2-CG1 3.68Å; L110-V191 HydrophobicContact CD2-CG1 4.24Å; V127-V191 HydrophobicContact CG1-CG2 4.48Å; P129-V191 HydrophobicContact CG-CG2 4.36Å; I132-V191 HydrophobicContact CD1-CG1 3.77Å; I132-V191 HydrophobicContact CD1-CG2 4.25Å; Y167-V191 HydrophobicContact CD1-CG2 3.99Å; Y167-V191 HydrophobicContact CE1-CG2 4.2Å; A187-V191 WeakPolarHBondContact O-CB 3.31Å; A187-V191 VanDerWaalsContact O-CG2 3.32Å; A187-V191 WeakPolarHBondContact O-CG2 3.34Å; A187-V191 PolarHBondContact O-N 3.04Å; I188-V191 PolarHBondContact O-N 2.99Å; I188-V191 VanDerWaalsContact O-N 3.17Å; G189-V191 PolarHBondContact O-N 3.06Å; V191-E194 PolarHBondContact O-N 3.48Å; V191-M195 HydrophobicContact CG1-CE 4.24Å; V191-M195 WeakPolarHBondContact O-CG 3.48Å; V191-M195 PolarHBondContact O-N 2.84Å
192V98.4Very high97.2Very high2 Ų28.9 Ų8.91%0.0125%0.051CC..Hα-helixtrans-68.4-39.9176.2176.20000111.3I103 T107 I188 G189 E194 M195 L196 F267 L268I103-V192 HydrophobicContact CG2-CG1 4.39Å; T107-V192 HydrophobicContact CG2-CG2 3.55Å; T107-V192 WeakPolarHBondContact OG1-CG2 3.46Å; I188-V192 HydrophobicContact CG2-CG2 4.25Å; I188-V192 WeakPolarHBondContact O-CG2 3.37Å; I188-V192 PolarHBondContact O-N 2.91Å; G189-V192 PolarHBondContact O-N 3.48Å; V192-E194 VanDerWaalsContact C-N 3.34Å; V192-E194 PolarHBondContact O-N 2.92Å; V192-M195 HydrophobicContact CB-CE 4.45Å; V192-M195 HydrophobicContact CG2-CE 3.86Å; V192-M195 PolarHBondContact O-N 3.06Å; V192-L196 HydrophobicContact CG1-CD1 4.47Å; V192-L196 WeakPolarHBondContact O-CG 3.35Å; V192-L196 PolarHBondContact O-N 3.23Å; V192-F267 HydrophobicContact CB-CE1 4.41Å; V192-F267 HydrophobicContact CG1-CD1 4.44Å; V192-F267 HydrophobicContact CG1-CE1 4.32Å; V192-F267 HydrophobicContact CG2-CE1 4.02Å; V192-L268 HydrophobicContact CB-CD2 4.02Å; V192-L268 HydrophobicContact CG1-CD2 3.98Å
193A98.2Very high96.9Very high0 Ų010.6 Ų10.60%06%0.062CC..Hα-helixtrans-61.6-40173.100000112.8G189 C190 L196 T197 L201 F253 L268G189-A193 WeakPolarHBondContact O-CB 3.23Å; G189-A193 PolarHBondContact O-N 3.43Å; C190-A193 PolarHBondContact O-N 3.34Å; A193-L196 PolarHBondContact O-N 3.2Å; A193-T197 PolarHBondContact O-N 3.45Å; A193-T197 PolarHBondContact O-OG1 3.32Å; A193-L201 HydrophobicContact CB-CB 4Å; A193-L201 HydrophobicContact CB-CD1 4.12Å; A193-L201 HydrophobicContact CB-CD2 3.77Å; A193-L201 HydrophobicContact CB-CG 4.18Å; A193-F253 HydrophobicContact CB-CE1 3.99Å; A193-F253 HydrophobicContact CB-CZ 3.72Å; A193-L268 HydrophobicContact CB-CD2 4.21Å
194E97.5Very high96.7Very high0 Ų010.5 Ų10.50%06%0.062CC..Hα-helixtrans-70-35.7173.2-171.8171.3-177.700111.7L91 Y167 C190 V191 V192 L196 T197 S198 L199 R351L91-E194 HydrophobicContact CD1-CG 3.88Å; Y167-E194 VanDerWaalsContact CE1-OE2 3.3Å; Y167-E194 WeakPolarHBondContact CE1-OE2 3.29Å; Y167-E194 PolarHBondContact OH-OE2 3.47Å; C190-E194 PolarHBondContact O-N 3.4Å; V191-E194 PolarHBondContact O-N 3.48Å; V192-E194 VanDerWaalsContact C-N 3.34Å; V192-E194 PolarHBondContact O-N 2.92Å; E194-L196 VanDerWaalsContact C-N 3.31Å; E194-L196 PolarHBondContact O-N 2.91Å; E194-T197 PolarHBondContact O-N 3.05Å; E194-S198 WeakPolarHBondContact O-CA 3.45Å; E194-S198 PolarHBondContact O-N 3.44Å; E194-L199 WeakPolarHBondContact CA-O 3.49Å; E194-R351 IonicContact OE1-CZ 2.81Å; E194-R351 IonicContact OE1-NH1 3.75Å; E194-R351 PolarHBondContact OE1-NH1 3.01Å; E194-R351 IonicContact OE1-NH2 2.59Å; E194-R351 PolarHBondContact OE1-NH2 3.13Å; E194-R351 IonicContact OE2-NH2 3.99Å
195M97.9Very high96.2Very high2 Ų220.5 Ų20.51%0.0110%0.099CC..Hα-helixtrans-62.5-35.3172.5-77.4-164.7-67.800113.4L87 L91 G97 L98 I103 L106 T107 V191 V192 T197L87-M195 HydrophobicContact CD1-CG 4.01Å; L87-M195 HydrophobicContact CD1-SD 3.92Å; L87-M195 HydrophobicContact CD2-CG 3.95Å; L87-M195 HydrophobicContact CD2-SD 3.91Å; L87-M195 HydrophobicContact CG-CG 4.46Å; L91-M195 HydrophobicContact CD2-CG 4.32Å; G97-M195 WeakPolarHBondContact CA-O 3.18Å; L98-M195 HydrophobicContact CD1-CB 4.46Å; L98-M195 HydrophobicContact CD1-CG 4.11Å; L98-M195 HydrophobicContact CD1-SD 4.27Å; L98-M195 PolarHBondContact N-O 2.97Å; I103-M195 HydrophobicContact CD1-CB 4.09Å; I103-M195 VanDerWaalsContact CD1-O 3.25Å; I103-M195 WeakPolarHBondContact CD1-O 3.21Å; I103-M195 HydrophobicContact CG1-CB 4.01Å; I103-M195 HydrophobicContact CG2-CB 4.05Å; I103-M195 HydrophobicContact CG2-CE 4Å; I103-M195 HydrophobicContact CG2-SD 4.43Å; L106-M195 HydrophobicContact CB-CE 4.42Å; L106-M195 HydrophobicContact CB-SD 4.02Å; L106-M195 HydrophobicContact CD1-SD 3.87Å; T107-M195 WeakPolarHBondContact OG1-CE 3.07Å; V191-M195 HydrophobicContact CG1-CE 4.24Å; V191-M195 WeakPolarHBondContact O-CG 3.48Å; V191-M195 PolarHBondContact O-N 2.84Å; V192-M195 HydrophobicContact CB-CE 4.45Å; V192-M195 HydrophobicContact CG2-CE 3.86Å; V192-M195 PolarHBondContact O-N 3.06Å; M195-T197 VanDerWaalsContact C-N 3.34Å
196L97.6Very high95.7Very high2 Ų222.8 Ų22.81%0.0112%0.116CC..Hα-helixtrans-69.5-29177.1-73168.2000113.2I103 V192 A193 E194 F253 L256 I260 L268I103-L196 HydrophobicContact CD1-CD2 3.81Å; I103-L196 HydrophobicContact CD1-CG 4.23Å; V192-L196 HydrophobicContact CG1-CD1 4.47Å; V192-L196 WeakPolarHBondContact O-CG 3.35Å; V192-L196 PolarHBondContact O-N 3.23Å; A193-L196 PolarHBondContact O-N 3.2Å; E194-L196 VanDerWaalsContact C-N 3.31Å; E194-L196 PolarHBondContact O-N 2.91Å; L196-F253 HydrophobicContact CB-CE1 4.47Å; L196-F253 HydrophobicContact CD1-CE1 4.27Å; L196-L256 HydrophobicContact CB-CD1 4.12Å; L196-L256 WeakPolarHBondContact O-CD2 3.48Å; L196-I260 HydrophobicContact CD1-CD1 4.41Å; L196-L268 HydrophobicContact CD1-CD1 4.04Å
197T95.4Very high95.3Very high16 Ų1623.6 Ų23.610%0.09812%0.12CC..Hα-helixtrans-122.4-17.6-165.956.70000114.8A193 E194 M195 L199 F253 L256A193-T197 PolarHBondContact O-N 3.45Å; A193-T197 PolarHBondContact O-OG1 3.32Å; E194-T197 PolarHBondContact O-N 3.05Å; M195-T197 VanDerWaalsContact C-N 3.34Å; T197-L199 PolarHBondContact O-N 3.49Å; T197-L199 PolarHBondContact OG1-N 2.92Å; T197-L199 VanDerWaalsContact OG1-N 3.11Å; T197-L199 PolarHBondContact OG1-O 3.24Å; T197-F253 HydrophobicContact CG2-CD1 3.66Å; T197-F253 HydrophobicContact CG2-CE1 3.83Å; T197-L256 HydrophobicContact CG2-CD2 3.82Å
198S94.2Very high94.9Very high4 Ų425.2 Ų25.23%0.02813%0.128CC..SBendtrans52.725.3-161-62.30000114.9H94 G97 E194 Y354H94-S198 WeakPolarHBondContact O-CB 3.31Å; H94-S198 PolarHBondContact O-OG 3.02Å; G97-S198 WeakPolarHBondContact CA-OG 3.31Å; G97-S198 PolarHBondContact N-OG 3.04Å; E194-S198 WeakPolarHBondContact O-CA 3.45Å; E194-S198 PolarHBondContact O-N 3.44Å; S198-Y354 VanDerWaalsContact O-CE1 3.32Å; S198-Y354 WeakPolarHBondContact O-CE1 3.48Å; S198-Y354 PolarHBondContact O-OH 2.96Å
199L92.7Very high94.5Very high92 Ų9227 Ų2748%0.48214%0.138SC..SBendtrans-128.2130.6178.4-70.6164.4000110.2E194 T197 L201 Y354E194-L199 WeakPolarHBondContact CA-O 3.49Å; T197-L199 PolarHBondContact O-N 3.49Å; T197-L199 PolarHBondContact OG1-N 2.92Å; T197-L199 VanDerWaalsContact OG1-N 3.11Å; T197-L199 PolarHBondContact OG1-O 3.24Å; L199-L201 PolarHBondContact O-N 2.87Å; L199-Y354 HydrophobicContact CD2-CD1 3.75Å; L199-Y354 HydrophobicContact CD2-CE1 3.68Å
200P94.3Very high94.3Very high16 Ų1627 Ų2710%0.10414%0.138CC..  trans-60.1130.7174.2-20.529.9000111.4W166 W202 P203W166-P200 HydrophobicContact CD2-CB 4.17Å; W166-P200 HydrophobicContact CD2-CG 4.46Å; W166-P200 HydrophobicContact CE3-CB 3.6Å; W166-P200 HydrophobicContact CE3-CG 3.51Å; W166-P200 HydrophobicContact CH2-CG 4.34Å; W166-P200 HydrophobicContact CZ3-CB 4.06Å; W166-P200 HydrophobicContact CZ3-CG 3.45Å; W166-P200 VanDerWaalsContact CZ3-CG 3.45Å; P200-W202 VanDerWaalsContact C-N 3.3Å; P200-W202 PolarHBondContact O-N 2.91Å; P200-P203 HydrophobicContact CB-CB 4.31Å
201L96.9Very high94.1Very high13 Ų1327 Ų277%0.06814%0.137CC..SBendtrans-58.7-38-172.4-177.559.2000113.7A193 L199 L249 K252 F253 L272A193-L201 HydrophobicContact CB-CB 4Å; A193-L201 HydrophobicContact CB-CD1 4.12Å; A193-L201 HydrophobicContact CB-CD2 3.77Å; A193-L201 HydrophobicContact CB-CG 4.18Å; L199-L201 PolarHBondContact O-N 2.87Å; L201-L249 HydrophobicContact CD1-CD1 4.23Å; L201-L249 HydrophobicContact CD2-CD1 4.27Å; L201-K252 HydrophobicContact CD1-CB 3.97Å; L201-K252 HydrophobicContact CD1-CD 3.94Å; L201-K252 HydrophobicContact CD1-CG 3.76Å; L201-K252 PolarHBondContact O-NZ 3.42Å; L201-F253 HydrophobicContact CD1-CZ 4.08Å; L201-L272 HydrophobicContact CD2-CD1 3.66Å
202W96Very high93.8Very high0 Ų029.6 Ų29.60%015%0.149CC..SBendtrans-140.694.7175.1-58.5-70000109.9W186 P200 G204 Q210 L213 I214 T217 L218 L249 L272W186-W202 AromaticContact CE2-CZ3 4Å; W186-W202 HydrophobicContact CH2-CH2 4.05Å; W186-W202 HydrophobicContact CH2-CZ3 4.06Å; W186-W202 HydrophobicContact CZ2-CE3 4.18Å; W186-W202 AromaticContact CZ2-CH2 3.9Å; W186-W202 HydrophobicContact CZ2-CH2 3.9Å; W186-W202 AromaticContact CZ2-CZ3 3.43Å; W186-W202 HydrophobicContact CZ2-CZ3 3.43Å; W186-W202 VanDerWaalsContact CZ2-CZ3 3.43Å; P200-W202 VanDerWaalsContact C-N 3.3Å; P200-W202 PolarHBondContact O-N 2.91Å; W202-G204 VanDerWaalsContact C-N 3.32Å; W202-G204 PolarHBondContact O-N 3.22Å; W202-G204 VanDerWaalsContact O-N 3.1Å; W202-Q210 PolarHBondContact O-NE2 3.02Å; W202-Q210 PolarHBondContact O-OE1 3.21Å; W202-L213 HydrophobicContact CB-CB 4.06Å; W202-L213 VanDerWaalsContact CD1-C 3.48Å; W202-L213 HydrophobicContact CG-CB 4.26Å; W202-L213 PolarHBondContact NE1-O 2.99Å; W202-L213 VanDerWaalsContact NE1-O 3.17Å; W202-I214 HydrophobicContact CD2-CG1 3.78Å; W202-I214 HydrophobicContact CE3-CG1 3.84Å; W202-I214 HydrophobicContact CG-CG1 4.09Å; W202-I214 HydrophobicContact CZ3-CG1 4.3Å; W202-T217 HydrophobicContact CZ2-CG2 4.07Å; W202-T217 PolarHBondContact NE1-OG1 3.34Å; W202-L218 HydrophobicContact CH2-CD1 3.49Å; W202-L218 VanDerWaalsContact CH2-CD1 3.49Å; W202-L218 HydrophobicContact CH2-CG 4.33Å; W202-L218 HydrophobicContact CZ2-CD1 3.64Å; W202-L218 HydrophobicContact CZ2-CG 4.01Å; W202-L249 HydrophobicContact CZ2-CD1 4.49Å; W202-L272 HydrophobicContact CH2-CD1 4.06Å; W202-L272 HydrophobicContact CH2-CD2 4.16Å; W202-L272 HydrophobicContact CZ3-CD2 4.06Å
203P93Very high93.6Very high65 Ų6531.2 Ų31.242%0.42216%0.158SC..  trans-8760.5-174.934.2-34.9000112.8W166 P200W166-P203 HydrophobicContact CD2-CB 4.34Å; W166-P203 HydrophobicContact CZ2-CB 4.07Å; P200-P203 HydrophobicContact CB-CB 4.31Å
204G91.6Very high93.5Very high1 Ų131.2 Ų31.21%0.0116%0.158CC..  trans-66.2138-174.200000115.5R165 W166 W202 D209R165-G204 WeakPolarHBondContact CD-O 3.28Å; R165-G204 PolarHBondContact NH1-O 3.48Å; R165-G204 VanDerWaalsContact NH1-O 3.11Å; W166-G204 VanDerWaalsContact CD1-N 3.3Å; W166-G204 PolarHBondContact NE1-O 2.92Å; W166-G204 VanDerWaalsContact NE1-O 3.1Å; W202-G204 VanDerWaalsContact C-N 3.32Å; W202-G204 PolarHBondContact O-N 3.22Å; W202-G204 VanDerWaalsContact O-N 3.1Å; G204-D209 WeakPolarHBondContact CA-OD2 3.37Å
205R87.8Confident93.4Very high209 Ų20931.7 Ų31.779%0.78916%0.161SC*.SBendtrans-83.5-32.3-176.4-58.4175.9-174.2-170.63.4113.2R165 D209R165-R205 PolarHBondContact NH1-O 3.19Å; R205-D209 WeakPolarHBondContact CB-OD2 3.46Å; R205-D209 WeakPolarHBondContact CG-OD2 3.39Å; R205-D209 PolarHBondContact N-OD2 3.17Å
206S87.9Confident93.2Very high52 Ų5233.2 Ų33.236%0.36417%0.168SC..SBendtrans-133.5169.5170.167.10000109.2R165 L208 D209 Q210R165-S206 VanDerWaalsContact CD-C 3.46Å; R165-S206 WeakPolarHBondContact CD-O 3.41Å; R165-S206 VanDerWaalsContact NE-C 3.28Å; S206-L208 VanDerWaalsContact C-N 3.28Å; S206-L208 PolarHBondContact O-N 3.02Å; S206-D209 PolarHBondContact O-N 3.48Å; S206-D209 WeakPolarHBondContact OG-CB 3.42Å; S206-D209 PolarHBondContact OG-N 2.92Å; S206-D209 VanDerWaalsContact OG-N 3.14Å; S206-Q210 WeakPolarHBondContact O-CB 3.46Å; S206-Q210 PolarHBondContact O-N 2.96Å
207D89.3Confident93Very high17 Ų1733.5 Ų33.59%0.09117%0.17CC..Hα-helixtrans-69.6-29-179.6-65.358.7000111.1R165 R168 L173 L211R165-D207 IonicContact CZ-OD1 3.95Å; R165-D207 VanDerWaalsContact CZ-OD1 3.27Å; R165-D207 IonicContact NE-OD1 2.63Å; R165-D207 PolarHBondContact NE-OD1 2.94Å; R165-D207 IonicContact NE-OD2 3.28Å; R165-D207 IonicContact NH2-OD1 3.33Å; R165-D207 PolarHBondContact NH2-OD1 3.35Å; R168-D207 IonicContact CZ-OD2 3.27Å; R168-D207 IonicContact NE-OD2 2.64Å; R168-D207 IonicContact NH1-OD2 2.93Å; R168-D207 PolarHBondContact NH1-OD2 3Å; L173-D207 HydrophobicContact CD2-CB 3.99Å; L173-D207 WeakPolarHBondContact CD2-OD2 3.22Å; D207-L211 WeakPolarHBondContact O-CG 3.42Å; D207-L211 PolarHBondContact O-N 3.35Å
208L90.8Very high93Very high38 Ų3835.1 Ų35.120%0.19918%0.177CC..Hα-helixtrans-67.1-42.5168.3-176.166.6000112.9S206 Q210 L211 H212 F229 F235 Y238 L240S206-L208 VanDerWaalsContact C-N 3.28Å; S206-L208 PolarHBondContact O-N 3.02Å; L208-Q210 VanDerWaalsContact C-N 3.34Å; L208-L211 PolarHBondContact O-N 2.83Å; L208-H212 WeakPolarHBondContact O-CB 3.42Å; L208-H212 PolarHBondContact O-N 3.41Å; L208-F229 HydrophobicContact CD1-CE2 3.98Å; L208-F229 HydrophobicContact CD1-CZ 3.83Å; L208-F235 HydrophobicContact CB-CE1 4.44Å; L208-Y238 HydrophobicContact CD2-CD1 3.52Å; L208-Y238 HydrophobicContact CD2-CE1 4.18Å; L208-Y238 HydrophobicContact CD2-CG 3.89Å; L208-L240 HydrophobicContact CD1-CD2 3.88Å; L208-L240 HydrophobicContact CD1-CG 4.27Å
209D90.5Very high92.9Very high37 Ų3735.5 Ų35.520%0.19818%0.182CC..Hα-helixtrans-67.2-36.2175.7-176.857.3000111.3G204 R205 S206 H212 L213G204-D209 WeakPolarHBondContact CA-OD2 3.37Å; R205-D209 WeakPolarHBondContact CB-OD2 3.46Å; R205-D209 WeakPolarHBondContact CG-OD2 3.39Å; R205-D209 PolarHBondContact N-OD2 3.17Å; S206-D209 PolarHBondContact O-N 3.48Å; S206-D209 WeakPolarHBondContact OG-CB 3.42Å; S206-D209 PolarHBondContact OG-N 2.92Å; S206-D209 VanDerWaalsContact OG-N 3.14Å; D209-H212 PolarHBondContact O-N 3.15Å; D209-L213 WeakPolarHBondContact O-CB 3.44Å; D209-L213 VanDerWaalsContact O-CG 3.25Å; D209-L213 WeakPolarHBondContact O-CG 3.49Å; D209-L213 PolarHBondContact O-N 3.47Å
210Q93.5Very high92.9Very high0 Ų033.9 Ų33.90%017%0.174CC..Hα-helixtrans-62.1-48171.9-171.169.434.300111.5R165 L173 W202 S206 L208 L213 I214R165-Q210 HydrophobicContact CG-CB 4.24Å; R165-Q210 HydrophobicContact CG-CG 4.19Å; L173-Q210 HydrophobicContact CD1-CB 4.24Å; L173-Q210 HydrophobicContact CD1-CG 3.54Å; L173-Q210 HydrophobicContact CD2-CB 4.13Å; L173-Q210 HydrophobicContact CD2-CG 3.89Å; L173-Q210 HydrophobicContact CG-CG 4.4Å; W202-Q210 PolarHBondContact O-NE2 3.02Å; W202-Q210 PolarHBondContact O-OE1 3.21Å; S206-Q210 WeakPolarHBondContact O-CB 3.46Å; S206-Q210 PolarHBondContact O-N 2.96Å; L208-Q210 VanDerWaalsContact C-N 3.34Å; Q210-L213 PolarHBondContact O-N 3.07Å; Q210-I214 HydrophobicContact CG-CD1 4.04Å; Q210-I214 WeakPolarHBondContact O-CB 3.46Å; Q210-I214 WeakPolarHBondContact O-CD1 3.42Å; Q210-I214 VanDerWaalsContact O-CG1 3.26Å; Q210-I214 WeakPolarHBondContact O-CG1 3.48Å; Q210-I214 PolarHBondContact O-N 3.03Å
211L94.1Very high92.9Very high0 Ų033.5 Ų33.50%017%0.171CC..Hα-helixtrans-60-44174.9-75.4166.7000111.6L173 V174 D207 L208 I214 T215 L221 F229 F235 L240L173-L211 HydrophobicContact CB-CD1 4.17Å; L173-L211 HydrophobicContact CB-CD2 3.67Å; L173-L211 HydrophobicContact CB-CG 3.8Å; L173-L211 HydrophobicContact CD1-CD2 4.12Å; L173-L211 HydrophobicContact CD1-CG 4.3Å; V174-L211 HydrophobicContact CG1-CD1 4.22Å; V174-L211 HydrophobicContact CG1-CD2 4.1Å; D207-L211 WeakPolarHBondContact O-CG 3.42Å; D207-L211 PolarHBondContact O-N 3.35Å; L208-L211 PolarHBondContact O-N 2.83Å; L211-I214 PolarHBondContact O-N 3.44Å; L211-T215 WeakPolarHBondContact O-CG2 3.32Å; L211-T215 PolarHBondContact O-N 3.25Å; L211-T215 PolarHBondContact O-OG1 3.23Å; L211-T215 VanDerWaalsContact O-OG1 3.12Å; L211-L221 HydrophobicContact CD2-CD2 4.16Å; L211-F229 HydrophobicContact CD1-CD2 3.95Å; L211-F229 HydrophobicContact CD1-CE2 3.96Å; L211-F235 HydrophobicContact CD1-CZ 4.3Å; L211-L240 HydrophobicContact CB-CD2 3.67Å
212H92.7Very high92.8Very high55 Ų5534.2 Ų34.226%0.25518%0.176SC..Hα-helixtrans-62-43.6176.6174.572.3000113L208 D209 I214 T215 Q216L208-H212 WeakPolarHBondContact O-CB 3.42Å; L208-H212 PolarHBondContact O-N 3.41Å; D209-H212 PolarHBondContact O-N 3.15Å; H212-I214 VanDerWaalsContact C-N 3.32Å; H212-I214 PolarHBondContact O-N 2.86Å; H212-T215 PolarHBondContact O-N 3.42Å; H212-T215 PolarHBondContact O-OG1 3.35Å; H212-Q216 WeakPolarHBondContact O-CB 3.3Å; H212-Q216 PolarHBondContact O-N 3.3Å
213L93.7Very high92.8Very high37 Ų3739.4 Ų39.419%0.19421%0.21CC..Hα-helixtrans-63.3-38176.5-74.6172.1000112.3W202 D209 Q210 T217W202-L213 HydrophobicContact CB-CB 4.06Å; W202-L213 VanDerWaalsContact CD1-C 3.48Å; W202-L213 HydrophobicContact CG-CB 4.26Å; W202-L213 PolarHBondContact NE1-O 2.99Å; W202-L213 VanDerWaalsContact NE1-O 3.17Å; D209-L213 WeakPolarHBondContact O-CB 3.44Å; D209-L213 VanDerWaalsContact O-CG 3.25Å; D209-L213 WeakPolarHBondContact O-CG 3.49Å; D209-L213 PolarHBondContact O-N 3.47Å; Q210-L213 PolarHBondContact O-N 3.07Å; L213-T217 PolarHBondContact O-OG1 3.28Å
214I95.8Very high92.9Very high0 Ų041.2 Ų41.20%021%0.208CC..Hα-helixtrans-66.2-53.7174.2-71.5164.5000110.2P170 L173 W186 W202 Q210 L211 H212 Q216 T217 L218 M274P170-I214 HydrophobicContact CG-CG2 4.35Å; L173-I214 HydrophobicContact CD1-CD1 3.56Å; W186-I214 HydrophobicContact CH2-CG2 3.78Å; W186-I214 HydrophobicContact CZ2-CD1 3.77Å; W186-I214 HydrophobicContact CZ2-CG1 4.01Å; W186-I214 HydrophobicContact CZ2-CG2 4.08Å; W202-I214 HydrophobicContact CD2-CG1 3.78Å; W202-I214 HydrophobicContact CE3-CG1 3.84Å; W202-I214 HydrophobicContact CG-CG1 4.09Å; W202-I214 HydrophobicContact CZ3-CG1 4.3Å; Q210-I214 HydrophobicContact CG-CD1 4.04Å; Q210-I214 WeakPolarHBondContact O-CB 3.46Å; Q210-I214 WeakPolarHBondContact O-CD1 3.42Å; Q210-I214 VanDerWaalsContact O-CG1 3.26Å; Q210-I214 WeakPolarHBondContact O-CG1 3.48Å; Q210-I214 PolarHBondContact O-N 3.03Å; L211-I214 PolarHBondContact O-N 3.44Å; H212-I214 VanDerWaalsContact C-N 3.32Å; H212-I214 PolarHBondContact O-N 2.86Å; I214-Q216 VanDerWaalsContact C-N 3.29Å; I214-Q216 PolarHBondContact O-N 3.17Å; I214-T217 WeakPolarHBondContact O-CA 3.43Å; I214-T217 PolarHBondContact O-N 3.05Å; I214-L218 HydrophobicContact CG2-CD1 4.36Å; I214-L218 PolarHBondContact O-N 3.46Å; I214-M274 HydrophobicContact CG2-CE 4.05Å; I214-M274 HydrophobicContact CG2-SD 3.6Å
215T94.5Very high93.1Very high9 Ų941.3 Ų41.36%0.05521%0.208CC..Hα-helixtrans-69-25.4-174.858.60000113.5L211 H212 T217 G219 L221 M274L211-T215 WeakPolarHBondContact O-CG2 3.32Å; L211-T215 PolarHBondContact O-N 3.25Å; L211-T215 PolarHBondContact O-OG1 3.23Å; L211-T215 VanDerWaalsContact O-OG1 3.12Å; H212-T215 PolarHBondContact O-N 3.42Å; H212-T215 PolarHBondContact O-OG1 3.35Å; T215-T217 PolarHBondContact O-N 3.45Å; T215-G219 WeakPolarHBondContact CA-O 3.17Å; T215-G219 WeakPolarHBondContact CB-O 3.33Å; T215-G219 VanDerWaalsContact CG2-O 3.32Å; T215-G219 WeakPolarHBondContact CG2-O 3.22Å; T215-G219 WeakPolarHBondContact O-CA 3.49Å; T215-G219 PolarHBondContact O-N 3.25Å; T215-G219 VanDerWaalsContact O-N 3.09Å; T215-L221 HydrophobicContact CG2-CG 4.45Å; T215-M274 HydrophobicContact CG2-CE 4.05Å
216Q94.1Very high93.4Very high34 Ų3435 Ų3516%0.15919%0.185CC..Hα-helixtrans-61.4-31.1166.8176.4164.280.700112.7H212 I214 P243 N245 R246 K247H212-Q216 WeakPolarHBondContact O-CB 3.3Å; H212-Q216 PolarHBondContact O-N 3.3Å; I214-Q216 VanDerWaalsContact C-N 3.29Å; I214-Q216 PolarHBondContact O-N 3.17Å; Q216-P243 HydrophobicContact CB-CB 4.13Å; Q216-P243 HydrophobicContact CB-CG 3.85Å; Q216-P243 HydrophobicContact CG-CB 4.33Å; Q216-N245 PolarHBondContact NE2-O 3.39Å; Q216-R246 WeakPolarHBondContact O-CA 3.34Å; Q216-K247 HydrophobicContact CG-CB 4.44Å; Q216-K247 HydrophobicContact CG-CD 4.12Å; Q216-K247 HydrophobicContact CG-CG 4.13Å; Q216-K247 PolarHBondContact O-N 3.43Å
217T94.5Very high93.6Very high8 Ų837.1 Ų37.15%0.04919%0.188CC..Hα-helixtrans-100.3-25.7-171.8-44.50000113.3W202 L213 I214 T215 K247 L249 K252W202-T217 HydrophobicContact CZ2-CG2 4.07Å; W202-T217 PolarHBondContact NE1-OG1 3.34Å; L213-T217 PolarHBondContact O-OG1 3.28Å; I214-T217 WeakPolarHBondContact O-CA 3.43Å; I214-T217 PolarHBondContact O-N 3.05Å; T215-T217 PolarHBondContact O-N 3.45Å; T217-K247 CarbonylContact C-O 3.26Å; T217-K247 WeakPolarHBondContact CA-O 3.39Å; T217-K247 VanDerWaalsContact O-O 3.11Å; T217-L249 HydrophobicContact CG2-CB 4.39Å; T217-L249 HydrophobicContact CG2-CD1 4.1Å; T217-K252 HydrophobicContact CG2-CG 4.31Å; T217-K252 WeakPolarHBondContact OG1-CE 3.44Å
218L95.3Very high93.8Very high50 Ų5038 Ų3826%0.26219%0.193SC..Hα-helixtrans-128.92.2-171.1-64.7174.5000114.3W186 W202 I214 L249 L272 M274W186-L218 HydrophobicContact CH2-CD1 3.57Å; W186-L218 HydrophobicContact CZ3-CD1 3.98Å; W202-L218 HydrophobicContact CH2-CD1 3.49Å; W202-L218 VanDerWaalsContact CH2-CD1 3.49Å; W202-L218 HydrophobicContact CH2-CG 4.33Å; W202-L218 HydrophobicContact CZ2-CD1 3.64Å; W202-L218 HydrophobicContact CZ2-CG 4.01Å; I214-L218 HydrophobicContact CG2-CD1 4.36Å; I214-L218 PolarHBondContact O-N 3.46Å; L218-L249 HydrophobicContact CD2-CB 4.41Å; L218-L249 HydrophobicContact CD2-CD2 4.41Å; L218-L272 HydrophobicContact CD1-CB 4.3Å; L218-L272 VanDerWaalsContact CD1-O 3.28Å; L218-L272 WeakPolarHBondContact CD1-O 3.25Å; L218-M274 HydrophobicContact CB-CG 3.74Å; L218-M274 HydrophobicContact CB-SD 3.75Å; L218-M274 HydrophobicContact CD1-SD 4.12Å
219G92.6Very high93.8Very high12 Ų1236.5 Ų36.512%0.12419%0.185CC..  trans85.3-162.7-178.100000113.7T215T215-G219 WeakPolarHBondContact CA-O 3.17Å; T215-G219 WeakPolarHBondContact CB-O 3.33Å; T215-G219 VanDerWaalsContact CG2-O 3.32Å; T215-G219 WeakPolarHBondContact CG2-O 3.22Å; T215-G219 WeakPolarHBondContact O-CA 3.49Å; T215-G219 PolarHBondContact O-N 3.25Å; T215-G219 VanDerWaalsContact O-N 3.09Å
220D92.2Very high93.8Very high59 Ų5941 Ų4132%0.31620%0.204SC..PPolyproline II helixtrans-71.6157.4-168.7-76.4-84.4000114.6V222 R226 R246 M274D220-V222 PolarHBondContact O-N 2.79Å; D220-R226 IonicContact OD1-CZ 2.7Å; D220-R226 IonicContact OD1-NH2 3.33Å; D220-R226 PolarHBondContact OD1-NH2 2.97Å; D220-R246 IonicContact OD2-CZ 3.77Å; D220-R246 IonicContact OD2-NH1 3.07Å; D220-R246 PolarHBondContact OD2-NH1 3.37Å; D220-R246 IonicContact OD2-NH2 2.77Å; D220-R246 PolarHBondContact OD2-NH2 2.84Å; D220-M274 WeakPolarHBondContact O-CE 3.48Å
221L94.2Very high93.7Very high8 Ų848.1 Ų48.14%0.04224%0.236CC..PPolyproline II helixtrans-60.9134161.9-72.3-179.6000110.3P170 V174 L211 T215 H225 R226 F229 L240 M274P170-L221 HydrophobicContact CB-CD2 3.99Å; V174-L221 HydrophobicContact CG1-CD1 3.68Å; V174-L221 HydrophobicContact CG1-CD2 4.26Å; L211-L221 HydrophobicContact CD2-CD2 4.16Å; T215-L221 HydrophobicContact CG2-CG 4.45Å; L221-H225 HydrophobicContact CB-CB 4.24Å; L221-H225 HydrophobicContact CD1-CB 4.43Å; L221-H225 HydrophobicContact CD2-CB 4.06Å; L221-H225 HydrophobicContact CG-CB 4.49Å; L221-R226 HydrophobicContact CB-CB 4.28Å; L221-F229 HydrophobicContact CD1-CB 4.34Å; L221-L240 HydrophobicContact CD1-CD1 3.39Å; L221-L240 HydrophobicContact CG-CD1 4.24Å; L221-M274 HydrophobicContact CD2-CE 4Å
222V95.3Very high93.3Very high27 Ų2750 Ų5016%0.16425%0.246CC..PPolyproline II helixtrans-56.4151.7168.7-61.70000110.9D220 R224 H225 R226 M274 D275D220-V222 PolarHBondContact O-N 2.79Å; V222-R224 VanDerWaalsContact C-N 3.3Å; V222-R224 PolarHBondContact O-N 2.93Å; V222-R224 VanDerWaalsContact O-N 3.13Å; V222-H225 HydrophobicContact CG2-CB 4Å; V222-H225 WeakPolarHBondContact CG2-ND1 3.36Å; V222-H225 PolarHBondContact O-N 2.83Å; V222-R226 PolarHBondContact O-N 2.98Å; V222-M274 HydrophobicContact CG1-CB 4.49Å; V222-D275 HydrophobicContact CG1-CB 3.94Å
223P95.4Very high93Very high110 Ų11052 Ų5271%0.71427%0.265SS*.Hα-helixtrans-51.8-43.5-169.1-30.236.4000114.5H225 R226 E227P223-H225 PolarHBondContact O-N 2.87Å; P223-R226 WeakPolarHBondContact O-CB 3.48Å; P223-R226 PolarHBondContact O-N 3.38Å; P223-E227 WeakPolarHBondContact O-CB 3.48Å; P223-E227 PolarHBondContact O-N 3.48Å
224R95.1Very high92.4Very high102 Ų10254.8 Ų54.839%0.38528%0.275SS..Hα-helixtrans-58.2-48.3176.2179.2-176.2168.297.914.5112.7D176 V222 R226 E227 I228D176-R224 VanDerWaalsContact CG-NH2 3.32Å; D176-R224 IonicContact OD1-CZ 3.86Å; D176-R224 IonicContact OD1-NE 2.85Å; D176-R224 IonicContact OD1-NH2 3.19Å; D176-R224 PolarHBondContact OD1-NH2 3.39Å; D176-R224 IonicContact OD2-CZ 2.64Å; D176-R224 IonicContact OD2-NE 2.72Å; D176-R224 PolarHBondContact OD2-NE 2.97Å; D176-R224 IonicContact OD2-NH2 2.76Å; D176-R224 PolarHBondContact OD2-NH2 3.33Å; V222-R224 VanDerWaalsContact C-N 3.3Å; V222-R224 PolarHBondContact O-N 2.93Å; V222-R224 VanDerWaalsContact O-N 3.13Å; R224-R226 VanDerWaalsContact C-N 3.3Å; R224-R226 PolarHBondContact O-N 2.99Å; R224-E227 PolarHBondContact O-N 3.12Å; R224-I228 HydrophobicContact CG-CD1 3.92Å; R224-I228 VanDerWaalsContact O-CG1 3.29Å; R224-I228 WeakPolarHBondContact O-CG1 3.31Å; R224-I228 PolarHBondContact O-N 3.03Å
225H95Very high91.9Very high3 Ų355.2 Ų55.21%0.01428%0.277CS..Hα-helixtrans-69.1-32-178.4-63.7171.8000111.6E171 V174 D176 L221 V222 P223 F229E171-H225 IonicContact OE2-CE1 2.97Å; V174-H225 HydrophobicContact CG1-CB 4.33Å; V174-H225 HydrophobicContact CG2-CB 4.06Å; D176-H225 IonicContact OD2-CD2 2.75Å; L221-H225 HydrophobicContact CB-CB 4.24Å; L221-H225 HydrophobicContact CD1-CB 4.43Å; L221-H225 HydrophobicContact CD2-CB 4.06Å; L221-H225 HydrophobicContact CG-CB 4.49Å; V222-H225 HydrophobicContact CG2-CB 4Å; V222-H225 WeakPolarHBondContact CG2-ND1 3.36Å; V222-H225 PolarHBondContact O-N 2.83Å; P223-H225 PolarHBondContact O-N 2.87Å; H225-F229 WeakPolarHBondContact O-CB 3.5Å; H225-F229 PolarHBondContact O-N 3.06Å
226R93.9Very high91.2Very high78 Ų7863.4 Ų63.429%0.29431%0.312SS..Hα-helixtrans-65.4-48.4172.2-177.7179.4-58.9-91.81.9111.6D220 L221 V222 P223 R224 I228 F229 E230D220-R226 IonicContact OD1-CZ 2.7Å; D220-R226 IonicContact OD1-NH2 3.33Å; D220-R226 PolarHBondContact OD1-NH2 2.97Å; L221-R226 HydrophobicContact CB-CB 4.28Å; V222-R226 PolarHBondContact O-N 2.98Å; P223-R226 WeakPolarHBondContact O-CB 3.48Å; P223-R226 PolarHBondContact O-N 3.38Å; R224-R226 VanDerWaalsContact C-N 3.3Å; R224-R226 PolarHBondContact O-N 2.99Å; R226-I228 VanDerWaalsContact C-N 3.31Å; R226-I228 PolarHBondContact O-N 3.22Å; R226-F229 WeakPolarHBondContact O-CB 3.27Å; R226-F229 PolarHBondContact O-N 3.27Å; R226-E230 HydrophobicContact CG-CG 4.49Å; R226-E230 WeakPolarHBondContact CG-OE1 3.43Å; R226-E230 WeakPolarHBondContact O-CB 3.45Å; R226-E230 WeakPolarHBondContact O-CG 3.44Å; R226-E230 PolarHBondContact O-N 3.44Å
227E93.5Very high90.5Very high95 Ų9565.6 Ų65.644%0.44434%0.344SS..Hα-helixtrans-58-43176.5-175.5-171.9176.100111.9P223 R224 E230 K231P223-E227 WeakPolarHBondContact O-CB 3.48Å; P223-E227 PolarHBondContact O-N 3.48Å; R224-E227 PolarHBondContact O-N 3.12Å; E227-E230 PolarHBondContact O-N 3.3Å; E227-K231 HydrophobicContact CG-CD 4.08Å; E227-K231 WeakPolarHBondContact O-CB 3.49Å; E227-K231 VanDerWaalsContact O-CG 3.3Å; E227-K231 WeakPolarHBondContact O-CG 3.41Å; E227-K231 PolarHBondContact O-N 2.71Å; E227-K231 WeakPolarHBondContact OE1-CE 3.26Å; E227-K231 IonicContact OE1-NZ 2.86Å; E227-K231 PolarHBondContact OE1-NZ 2.97Å
228I92.5Very high89.8Confident35 Ų3571.1 Ų71.118%0.17937%0.365CS..Hα-helixtrans-66.2-45.1177-68169.3000111V174 D176 R224 R226 E230 K231 N232V174-I228 HydrophobicContact CB-CG2 4.35Å; V174-I228 HydrophobicContact CG2-CB 4.28Å; V174-I228 HydrophobicContact CG2-CG2 3.95Å; D176-I228 HydrophobicContact CB-CD1 3.82Å; D176-I228 WeakPolarHBondContact OD2-CD1 3.5Å; R224-I228 HydrophobicContact CG-CD1 3.92Å; R224-I228 VanDerWaalsContact O-CG1 3.29Å; R224-I228 WeakPolarHBondContact O-CG1 3.31Å; R224-I228 PolarHBondContact O-N 3.03Å; R226-I228 VanDerWaalsContact C-N 3.31Å; R226-I228 PolarHBondContact O-N 3.22Å; I228-E230 VanDerWaalsContact C-N 3.35Å; I228-E230 PolarHBondContact O-N 3.45Å; I228-K231 PolarHBondContact O-N 2.93Å; I228-N232 VanDerWaalsContact O-CB 3.23Å; I228-N232 WeakPolarHBondContact O-CB 3.39Å; I228-N232 PolarHBondContact O-N 2.92Å
229F91.9Very high89Confident8 Ų877.3 Ų77.34%0.03539%0.389CS..Hα-helixtrans-57.2-46175.3176.4-88000112V174 L208 L211 L221 H225 R226 K231 N232 F235 L240V174-F229 HydrophobicContact CB-CB 4.1Å; V174-F229 HydrophobicContact CG1-CB 3.93Å; V174-F229 HydrophobicContact CG1-CD2 4.29Å; L208-F229 HydrophobicContact CD1-CE2 3.98Å; L208-F229 HydrophobicContact CD1-CZ 3.83Å; L211-F229 HydrophobicContact CD1-CD2 3.95Å; L211-F229 HydrophobicContact CD1-CE2 3.96Å; L221-F229 HydrophobicContact CD1-CB 4.34Å; H225-F229 WeakPolarHBondContact O-CB 3.5Å; H225-F229 PolarHBondContact O-N 3.06Å; R226-F229 WeakPolarHBondContact O-CB 3.27Å; R226-F229 PolarHBondContact O-N 3.27Å; F229-K231 VanDerWaalsContact C-N 3.35Å; F229-K231 PolarHBondContact O-N 3.23Å; F229-N232 PolarHBondContact O-N 3.15Å; F229-F235 HydrophobicContact CD2-CB 4.11Å; F229-F235 HydrophobicContact CD2-CD1 4.17Å; F229-F235 AromaticContact CD2-CD2 3.5Å; F229-F235 HydrophobicContact CD2-CD2 3.5Å; F229-F235 AromaticContact CD2-CE2 3.91Å; F229-F235 HydrophobicContact CD2-CE2 3.91Å; F229-F235 AromaticContact CD2-CG 3.66Å; F229-F235 HydrophobicContact CD2-CG 3.66Å; F229-F235 HydrophobicContact CD2-CZ 4.4Å; F229-F235 HydrophobicContact CE1-CB 4.21Å; F229-F235 HydrophobicContact CE2-CB 3.73Å; F229-F235 AromaticContact CE2-CD1 3.45Å; F229-F235 HydrophobicContact CE2-CD1 3.45Å; F229-F235 VanDerWaalsContact CE2-CD1 3.45Å; F229-F235 AromaticContact CE2-CD2 3.68Å; F229-F235 HydrophobicContact CE2-CD2 3.68Å; F229-F235 AromaticContact CE2-CE1 3.93Å; F229-F235 HydrophobicContact CE2-CE1 3.93Å; F229-F235 HydrophobicContact CE2-CE2 4.14Å; F229-F235 AromaticContact CE2-CG 3.32Å; F229-F235 HydrophobicContact CE2-CG 3.32Å; F229-F235 HydrophobicContact CE2-CZ 4.25Å; F229-F235 HydrophobicContact CG-CD2 4.29Å; F229-F235 HydrophobicContact CG-CG 4.48Å; F229-F235 HydrophobicContact CZ-CB 3.76Å; F229-F235 HydrophobicContact CZ-CD1 4.04Å; F229-F235 AromaticContact CZ-CG 3.88Å; F229-F235 HydrophobicContact CZ-CG 3.88Å; F229-L240 HydrophobicContact CD1-CD1 3.94Å; F229-L240 HydrophobicContact CD1-CG 4.43Å; F229-L240 HydrophobicContact CD2-CD1 3.78Å; F229-L240 HydrophobicContact CD2-CG 4.41Å; F229-L240 HydrophobicContact CE1-CD1 3.95Å; F229-L240 HydrophobicContact CE1-CG 3.93Å; F229-L240 HydrophobicContact CE2-CD1 3.76Å; F229-L240 HydrophobicContact CE2-CG 3.88Å; F229-L240 HydrophobicContact CG-CD1 3.88Å; F229-L240 HydrophobicContact CZ-CD1 3.87Å; F229-L240 HydrophobicContact CZ-CG 3.64Å
230E90.6Very high88.2Confident130 Ų13078.2 Ų78.261%0.60739%0.391SS*.Hα-helixtrans-70.9-28-177.6-70.9171.4-170.600113R226 E227 I228R226-E230 HydrophobicContact CG-CG 4.49Å; R226-E230 WeakPolarHBondContact CG-OE1 3.43Å; R226-E230 WeakPolarHBondContact O-CB 3.45Å; R226-E230 WeakPolarHBondContact O-CG 3.44Å; R226-E230 PolarHBondContact O-N 3.44Å; E227-E230 PolarHBondContact O-N 3.3Å; I228-E230 VanDerWaalsContact C-N 3.35Å; I228-E230 PolarHBondContact O-N 3.45Å
231K90.7Very high87.4Confident151 Ų15180.5 Ų80.566%0.65740%0.402SS*.Hα-helixtrans-85.9-23174.7-70.8175.9-179.9-179.30113.9E227 I228 F229 C233E227-K231 HydrophobicContact CG-CD 4.08Å; E227-K231 WeakPolarHBondContact O-CB 3.49Å; E227-K231 VanDerWaalsContact O-CG 3.3Å; E227-K231 WeakPolarHBondContact O-CG 3.41Å; E227-K231 PolarHBondContact O-N 2.71Å; E227-K231 WeakPolarHBondContact OE1-CE 3.26Å; E227-K231 IonicContact OE1-NZ 2.86Å; E227-K231 PolarHBondContact OE1-NZ 2.97Å; I228-K231 PolarHBondContact O-N 2.93Å; F229-K231 VanDerWaalsContact C-N 3.35Å; F229-K231 PolarHBondContact O-N 3.23Å; K231-C233 PolarHBondContact O-N 2.81Å
232N86.4Confident86.4Confident40 Ų4083.7 Ų83.721%0.21442%0.422CS..  trans-69.6120.6-175.9-178.8-13.5000111.1V174 I228 F229 F234 F235 K236V174-N232 PolarHBondContact O-ND2 3.13Å; I228-N232 VanDerWaalsContact O-CB 3.23Å; I228-N232 WeakPolarHBondContact O-CB 3.39Å; I228-N232 PolarHBondContact O-N 2.92Å; F229-N232 PolarHBondContact O-N 3.15Å; N232-F234 PolarHBondContact O-N 2.86Å; N232-F234 VanDerWaalsContact O-N 3.13Å; N232-F234 WeakPolarHBondContact OD1-CB 3.42Å; N232-F234 PolarHBondContact OD1-N 2.98Å; N232-F235 HydrophobicContact CB-CD2 4.05Å; N232-F235 PolarHBondContact O-N 3.48Å; N232-K236 PolarHBondContact O-N 2.64Å
233C86Confident85.3Confident96 Ų9683 Ų8365%0.64942%0.418SS*.G310 helixtrans-59.5-26.5-177.4600000113.9K231 F235 K236K231-C233 PolarHBondContact O-N 2.81Å; C233-F235 VanDerWaalsContact C-N 3.29Å; C233-F235 PolarHBondContact O-N 2.89Å; C233-K236 VanDerWaalsContact O-CB 3.31Å; C233-K236 WeakPolarHBondContact O-CB 3.36Å; C233-K236 PolarHBondContact O-N 2.82Å
234F81.4Confident84.3Confident96 Ų9686.7 Ų86.742%0.42143%0.425SS..G310 helixtrans-67.1-28.3176.4-174.3-98.9000113N232N232-F234 PolarHBondContact O-N 2.86Å; N232-F234 VanDerWaalsContact O-N 3.13Å; N232-F234 WeakPolarHBondContact OD1-CB 3.42Å; N232-F234 PolarHBondContact OD1-N 2.98Å
235F84.6Confident83.6Confident9 Ų987.5 Ų87.54%0.03944%0.438CS..G310 helixtrans-99.84.2177.5-61.5-61.8000113.4L173 L208 L211 F229 N232 C233 G237 Y238L173-F235 WeakPolarHBondContact O-CE2 3.38Å; L173-F235 VanDerWaalsContact O-CZ 3.24Å; L173-F235 WeakPolarHBondContact O-CZ 3.47Å; L208-F235 HydrophobicContact CB-CE1 4.44Å; L211-F235 HydrophobicContact CD1-CZ 4.3Å; F229-F235 HydrophobicContact CD2-CB 4.11Å; F229-F235 HydrophobicContact CD2-CD1 4.17Å; F229-F235 AromaticContact CD2-CD2 3.5Å; F229-F235 HydrophobicContact CD2-CD2 3.5Å; F229-F235 AromaticContact CD2-CE2 3.91Å; F229-F235 HydrophobicContact CD2-CE2 3.91Å; F229-F235 AromaticContact CD2-CG 3.66Å; F229-F235 HydrophobicContact CD2-CG 3.66Å; F229-F235 HydrophobicContact CD2-CZ 4.4Å; F229-F235 HydrophobicContact CE1-CB 4.21Å; F229-F235 HydrophobicContact CE2-CB 3.73Å; F229-F235 AromaticContact CE2-CD1 3.45Å; F229-F235 HydrophobicContact CE2-CD1 3.45Å; F229-F235 VanDerWaalsContact CE2-CD1 3.45Å; F229-F235 AromaticContact CE2-CD2 3.68Å; F229-F235 HydrophobicContact CE2-CD2 3.68Å; F229-F235 AromaticContact CE2-CE1 3.93Å; F229-F235 HydrophobicContact CE2-CE1 3.93Å; F229-F235 HydrophobicContact CE2-CE2 4.14Å; F229-F235 AromaticContact CE2-CG 3.32Å; F229-F235 HydrophobicContact CE2-CG 3.32Å; F229-F235 HydrophobicContact CE2-CZ 4.25Å; F229-F235 HydrophobicContact CG-CD2 4.29Å; F229-F235 HydrophobicContact CG-CG 4.48Å; F229-F235 HydrophobicContact CZ-CB 3.76Å; F229-F235 HydrophobicContact CZ-CD1 4.04Å; F229-F235 AromaticContact CZ-CG 3.88Å; F229-F235 HydrophobicContact CZ-CG 3.88Å; N232-F235 HydrophobicContact CB-CD2 4.05Å; N232-F235 PolarHBondContact O-N 3.48Å; C233-F235 VanDerWaalsContact C-N 3.29Å; C233-F235 PolarHBondContact O-N 2.89Å; F235-G237 PolarHBondContact O-N 3.32Å; F235-G237 VanDerWaalsContact O-N 3.15Å; F235-Y238 WeakPolarHBondContact O-CB 3.48Å; F235-Y238 PolarHBondContact O-N 2.9Å
236K80.5Confident83Confident181 Ų18193.5 Ų93.579%0.78746%0.46SS*.THydrogen-bonded Turntrans-57.4119.2-178.6-175.1177.4179.7179.30111.5N232 C233N232-K236 PolarHBondContact O-N 2.64Å; C233-K236 VanDerWaalsContact O-CB 3.31Å; C233-K236 WeakPolarHBondContact O-CB 3.36Å; C233-K236 PolarHBondContact O-N 2.82Å
237G78.9Confident82.7Confident80 Ų8094 Ų9483%0.82546%0.464SS*.THydrogen-bonded Turntrans93.3-13.5-178.100000114.5F235F235-G237 PolarHBondContact O-N 3.32Å; F235-G237 VanDerWaalsContact O-N 3.15Å
238Y80.2Confident82.6Confident124 Ų12493 Ų9349%0.48646%0.462SS..  trans-85.3152.7168.7-64.1-78.9000110.9L208 F235L208-Y238 HydrophobicContact CD2-CD1 3.52Å; L208-Y238 HydrophobicContact CD2-CE1 4.18Å; L208-Y238 HydrophobicContact CD2-CG 3.89Å; F235-Y238 WeakPolarHBondContact O-CB 3.48Å; F235-Y238 PolarHBondContact O-N 2.9Å
239K77.5Confident82.8Confident180 Ų18091.4 Ų91.478%0.78345%0.454SS*.  trans-126.2137.4169-65.1-173.3-179.8-176.80108.9I241K239-I241 PolarHBondContact O-N 3.34Å; K239-I241 VanDerWaalsContact O-N 3.09Å
240L76.5Confident82.9Confident30 Ų3093.1 Ų93.116%0.15747%0.467CS..  trans-71.9100.9165.7-80162.7000108.4L208 L211 L221 F229 V242L208-L240 HydrophobicContact CD1-CD2 3.88Å; L208-L240 HydrophobicContact CD1-CG 4.27Å; L211-L240 HydrophobicContact CB-CD2 3.67Å; L221-L240 HydrophobicContact CD1-CD1 3.39Å; L221-L240 HydrophobicContact CG-CD1 4.24Å; F229-L240 HydrophobicContact CD1-CD1 3.94Å; F229-L240 HydrophobicContact CD1-CG 4.43Å; F229-L240 HydrophobicContact CD2-CD1 3.78Å; F229-L240 HydrophobicContact CD2-CG 4.41Å; F229-L240 HydrophobicContact CE1-CD1 3.95Å; F229-L240 HydrophobicContact CE1-CG 3.93Å; F229-L240 HydrophobicContact CE2-CD1 3.76Å; F229-L240 HydrophobicContact CE2-CG 3.88Å; F229-L240 HydrophobicContact CG-CD1 3.88Å; F229-L240 HydrophobicContact CZ-CD1 3.87Å; F229-L240 HydrophobicContact CZ-CG 3.64Å; L240-V242 PolarHBondContact O-N 3.37Å
241I75.1Confident83.1Confident108 Ų10891.1 Ų91.155%0.55446%0.458SS*.  trans-64.6115.4174-59.4172.3000107.6K239 P243K239-I241 PolarHBondContact O-N 3.34Å; K239-I241 VanDerWaalsContact O-N 3.09Å; I241-P243 VanDerWaalsContact O-CD 3.25Å; I241-P243 WeakPolarHBondContact O-CD 3.49Å
242V72.9Confident83.3Confident74 Ų7487.1 Ų87.145%0.44844%0.44SS..  trans-62.7118.8172-179.40000107.6L240 E244L240-V242 PolarHBondContact O-N 3.37Å; V242-E244 PolarHBondContact O-N 3.23Å
243P71.9Confident83.8Confident12 Ų1285.4 Ų85.48%0.07843%0.431CS..  trans-69.3122.8-175.8-23.537.6000111.1Q216 I241 N245Q216-P243 HydrophobicContact CB-CB 4.13Å; Q216-P243 HydrophobicContact CB-CG 3.85Å; Q216-P243 HydrophobicContact CG-CB 4.33Å; I241-P243 VanDerWaalsContact O-CD 3.25Å; I241-P243 WeakPolarHBondContact O-CD 3.49Å; P243-N245 VanDerWaalsContact C-N 3.27Å; P243-N245 PolarHBondContact O-N 3.46Å
244E75.2Confident84.1Confident188 Ų18886.3 Ų86.388%0.87943%0.434SS*.SBendtrans-55-45.9175.3-61.4173.9166.100110.9V242V242-E244 PolarHBondContact O-N 3.23Å
245N79.8Confident84.6Confident120 Ų12085.9 Ų85.964%0.64244%0.443SS*.SBendtrans-96.791.6173.1-65.7-75.1000109.1Q216 P243Q216-N245 PolarHBondContact NE2-O 3.39Å; P243-N245 VanDerWaalsContact C-N 3.27Å; P243-N245 PolarHBondContact O-N 3.46Å
246R83.7Confident85Confident129 Ų12985.9 Ų85.949%0.48744%0.443SS..  trans-69.5153.6162.9-62.2-173.6-173.8-146.4-7.7109.7Q216 D220Q216-R246 WeakPolarHBondContact O-CA 3.34Å; D220-R246 IonicContact OD2-CZ 3.77Å; D220-R246 IonicContact OD2-NH1 3.07Å; D220-R246 PolarHBondContact OD2-NH1 3.37Å; D220-R246 IonicContact OD2-NH2 2.77Å; D220-R246 PolarHBondContact OD2-NH2 2.84Å
247K87.2Confident85.5Confident87 Ų8785 Ų8538%0.37844%0.442SS..  trans-128.7147.5178.6-64.8177.2-176.9156.10109.2Q216 T217 E251Q216-K247 HydrophobicContact CG-CB 4.44Å; Q216-K247 HydrophobicContact CG-CD 4.12Å; Q216-K247 HydrophobicContact CG-CG 4.13Å; Q216-K247 PolarHBondContact O-N 3.43Å; T217-K247 CarbonylContact C-O 3.26Å; T217-K247 WeakPolarHBondContact CA-O 3.39Å; T217-K247 VanDerWaalsContact O-O 3.11Å; K247-E251 WeakPolarHBondContact CA-OE1 3.39Å; K247-E251 WeakPolarHBondContact CB-OE1 3.37Å; K247-E251 WeakPolarHBondContact CB-OE2 3.37Å; K247-E251 WeakPolarHBondContact CG-OE2 3.47Å
248D91.6Very high86.2Confident74 Ų7485.1 Ų85.140%0.39643%0.428SS..  trans-80155170.9-176.7-113.4000112S250 E251D248-S250 PolarHBondContact O-N 2.98Å; D248-S250 WeakPolarHBondContact OD1-CB 3.48Å; D248-S250 PolarHBondContact OD1-N 3.41Å; D248-S250 PolarHBondContact OD1-OG 3.37Å; D248-E251 PolarHBondContact N-OE1 3.31Å; D248-E251 WeakPolarHBondContact O-CB 3.27Å; D248-E251 PolarHBondContact O-N 3.07Å
249L95.4Very high86.9Confident3 Ų383.3 Ų83.32%0.01643%0.431CS..G310 helixtrans-61.4-31.4175.1-17860.6000112.4L201 W202 T217 L218 E251 K252 F253 L265 L268 Q269 L272L201-L249 HydrophobicContact CD1-CD1 4.23Å; L201-L249 HydrophobicContact CD2-CD1 4.27Å; W202-L249 HydrophobicContact CZ2-CD1 4.49Å; T217-L249 HydrophobicContact CG2-CB 4.39Å; T217-L249 HydrophobicContact CG2-CD1 4.1Å; L218-L249 HydrophobicContact CD2-CB 4.41Å; L218-L249 HydrophobicContact CD2-CD2 4.41Å; L249-E251 VanDerWaalsContact C-N 3.31Å; L249-E251 PolarHBondContact O-N 3.2Å; L249-K252 WeakPolarHBondContact O-CB 3.23Å; L249-K252 WeakPolarHBondContact O-CG 3.38Å; L249-K252 PolarHBondContact O-N 3.23Å; L249-F253 HydrophobicContact CD1-CE2 4.16Å; L249-F253 HydrophobicContact CG-CE2 4.23Å; L249-F253 VanDerWaalsContact O-CD2 3.28Å; L249-F253 WeakPolarHBondContact O-CD2 3.41Å; L249-F253 WeakPolarHBondContact O-CE2 3.39Å; L249-L265 HydrophobicContact CB-CD1 4.49Å; L249-L265 HydrophobicContact CD2-CD1 4.36Å; L249-L265 HydrophobicContact CG-CD1 4.26Å; L249-L268 HydrophobicContact CD2-CB 4.18Å; L249-Q269 HydrophobicContact CD2-CG 4.05Å; L249-L272 HydrophobicContact CD1-CD1 4.42Å; L249-L272 HydrophobicContact CD2-CD1 4.25Å
250S95.5Very high87.8Confident44 Ų4476.3 Ų76.331%0.30840%0.402SS..G310 helixtrans-67.1-27.1177.867.80000113.8D248 K252 F253D248-S250 PolarHBondContact O-N 2.98Å; D248-S250 WeakPolarHBondContact OD1-CB 3.48Å; D248-S250 PolarHBondContact OD1-N 3.41Å; D248-S250 PolarHBondContact OD1-OG 3.37Å; S250-K252 PolarHBondContact O-N 3.39Å; S250-F253 PolarHBondContact O-N 2.95Å
251E94.3Very high88.7Confident88 Ų8878.3 Ų78.341%0.41142%0.415SS..G310 helixtrans-57-35.1177.9-71.2177.7-135.100112K247 D248 L249 F253 T254K247-E251 WeakPolarHBondContact CA-OE1 3.39Å; K247-E251 WeakPolarHBondContact CB-OE1 3.37Å; K247-E251 WeakPolarHBondContact CB-OE2 3.37Å; K247-E251 WeakPolarHBondContact CG-OE2 3.47Å; D248-E251 PolarHBondContact N-OE1 3.31Å; D248-E251 WeakPolarHBondContact O-CB 3.27Å; D248-E251 PolarHBondContact O-N 3.07Å; L249-E251 VanDerWaalsContact C-N 3.31Å; L249-E251 PolarHBondContact O-N 3.2Å; E251-F253 PolarHBondContact O-N 2.91Å; E251-F253 VanDerWaalsContact O-N 3.09Å; E251-T254 WeakPolarHBondContact O-CG2 3.37Å; E251-T254 PolarHBondContact O-N 3.22Å; E251-T254 PolarHBondContact O-OG1 2.98Å
252K94.5Very high89.7Confident66 Ų6678.3 Ų78.329%0.28743%0.425SS..G310 helixtrans-59-19.8177.4-59.8-76.6-169.6155.90113.3L201 T217 L249 S250L201-K252 HydrophobicContact CD1-CB 3.97Å; L201-K252 HydrophobicContact CD1-CD 3.94Å; L201-K252 HydrophobicContact CD1-CG 3.76Å; L201-K252 PolarHBondContact O-NZ 3.42Å; T217-K252 HydrophobicContact CG2-CG 4.31Å; T217-K252 WeakPolarHBondContact OG1-CE 3.44Å; L249-K252 WeakPolarHBondContact O-CB 3.23Å; L249-K252 WeakPolarHBondContact O-CG 3.38Å; L249-K252 PolarHBondContact O-N 3.23Å; S250-K252 PolarHBondContact O-N 3.39Å
253F96.6Very high90.8Very high4 Ų478.8 Ų78.82%0.01842%0.421CS..G310 helixtrans-116.99.4-172.5-54-68.3000113.4A193 L196 T197 L201 L249 S250 E251 S255 L256 I260 L268A193-F253 HydrophobicContact CB-CE1 3.99Å; A193-F253 HydrophobicContact CB-CZ 3.72Å; L196-F253 HydrophobicContact CB-CE1 4.47Å; L196-F253 HydrophobicContact CD1-CE1 4.27Å; T197-F253 HydrophobicContact CG2-CD1 3.66Å; T197-F253 HydrophobicContact CG2-CE1 3.83Å; L201-F253 HydrophobicContact CD1-CZ 4.08Å; L249-F253 HydrophobicContact CD1-CE2 4.16Å; L249-F253 HydrophobicContact CG-CE2 4.23Å; L249-F253 VanDerWaalsContact O-CD2 3.28Å; L249-F253 WeakPolarHBondContact O-CD2 3.41Å; L249-F253 WeakPolarHBondContact O-CE2 3.39Å; S250-F253 PolarHBondContact O-N 2.95Å; E251-F253 PolarHBondContact O-N 2.91Å; E251-F253 VanDerWaalsContact O-N 3.09Å; F253-S255 PolarHBondContact O-N 3.47Å; F253-L256 HydrophobicContact CB-CD1 3.81Å; F253-L256 HydrophobicContact CB-CG 4.02Å; F253-L256 HydrophobicContact CD1-CD1 3.93Å; F253-L256 HydrophobicContact CD1-CG 4.42Å; F253-L256 HydrophobicContact CG-CD1 4.25Å; F253-L256 WeakPolarHBondContact O-CB 3.31Å; F253-L256 WeakPolarHBondContact O-CG 3.44Å; F253-L256 PolarHBondContact O-N 3.46Å; F253-L256 VanDerWaalsContact O-N 3.08Å; F253-I260 HydrophobicContact CB-CB 3.97Å; F253-I260 HydrophobicContact CB-CD1 4.1Å; F253-I260 HydrophobicContact CB-CG2 3.93Å; F253-I260 HydrophobicContact CD1-CD1 4.4Å; F253-I260 HydrophobicContact CD2-CD1 3.61Å; F253-I260 HydrophobicContact CE2-CD1 4.13Å; F253-I260 HydrophobicContact CG-CD1 3.76Å; F253-L268 HydrophobicContact CD2-CD1 4.47Å; F253-L268 HydrophobicContact CE1-CD1 4.27Å; F253-L268 HydrophobicContact CE2-CD1 3.61Å; F253-L268 HydrophobicContact CZ-CD1 3.48Å; F253-L268 VanDerWaalsContact CZ-CD1 3.48Å
254T93.8Very high92Very high115 Ų11578.5 Ų78.571%0.70642%0.419SS*.THydrogen-bonded Turntrans-60.2-23.3177.947.90000114.4E251E251-T254 WeakPolarHBondContact O-CG2 3.37Å; E251-T254 PolarHBondContact O-N 3.22Å; E251-T254 PolarHBondContact O-OG1 2.98Å
255S91.1Very high93.1Very high88 Ų8871 Ų7162%0.61539%0.385SS*.THydrogen-bonded Turntrans-86.7-5.4177.257.50000114.5F253F253-S255 PolarHBondContact O-N 3.47Å
256L94Very high93.9Very high8 Ų868.8 Ų68.84%0.04237%0.373CS..  trans-69.4139.3-176.8-65-169.1000112.2L196 T197 F253 P258 I260L196-L256 HydrophobicContact CB-CD1 4.12Å; L196-L256 WeakPolarHBondContact O-CD2 3.48Å; T197-L256 HydrophobicContact CG2-CD2 3.82Å; F253-L256 HydrophobicContact CB-CD1 3.81Å; F253-L256 HydrophobicContact CB-CG 4.02Å; F253-L256 HydrophobicContact CD1-CD1 3.93Å; F253-L256 HydrophobicContact CD1-CG 4.42Å; F253-L256 HydrophobicContact CG-CD1 4.25Å; F253-L256 WeakPolarHBondContact O-CB 3.31Å; F253-L256 WeakPolarHBondContact O-CG 3.44Å; F253-L256 PolarHBondContact O-N 3.46Å; F253-L256 VanDerWaalsContact O-N 3.08Å; L256-P258 CarbonylContact C-O 3.56Å; L256-P258 VanDerWaalsContact C-O 3.26Å; L256-P258 WeakPolarHBondContact CB-O 3.41Å; L256-P258 CarbonylContact O-C 3.38Å; L256-I260 HydrophobicContact CD1-CB 4.23Å
257Q90.3Very high94.6Very high164 Ų16462.7 Ų62.777%0.76635%0.35SS*.SBendtrans-131.4111.7171.8-67.4-61.6-21.500109.2
258P92.8Very high95.2Very high82 Ų8258.5 Ų58.553%0.53233%0.332SS..SBendcis-63.4161.5-4.730.1-37000112.4R100 L256R100-P258 PolarHBondContact NH2-O 3.09Å; L256-P258 CarbonylContact C-O 3.56Å; L256-P258 VanDerWaalsContact C-O 3.26Å; L256-P258 WeakPolarHBondContact CB-O 3.41Å; L256-P258 CarbonylContact O-C 3.38Å
259P95.8Very high95.5Very high85 Ų8559 Ų5955%0.55233%0.332SS*.PPolyproline II helixtrans-53.7164.6174.3-27.836.3000113.9
260I96.7Very high95.6Very high34 Ų3459.9 Ų59.917%0.17434%0.338CS..PPolyproline II helixtrans-66133.7172.7-168.1165.6000110.6L196 F253 L256 E264 L265 L268L196-I260 HydrophobicContact CD1-CD1 4.41Å; F253-I260 HydrophobicContact CB-CB 3.97Å; F253-I260 HydrophobicContact CB-CD1 4.1Å; F253-I260 HydrophobicContact CB-CG2 3.93Å; F253-I260 HydrophobicContact CD1-CD1 4.4Å; F253-I260 HydrophobicContact CD2-CD1 3.61Å; F253-I260 HydrophobicContact CE2-CD1 4.13Å; F253-I260 HydrophobicContact CG-CD1 3.76Å; L256-I260 HydrophobicContact CD1-CB 4.23Å; I260-E264 HydrophobicContact CD1-CB 4.18Å; I260-E264 HydrophobicContact CG1-CB 3.69Å; I260-L265 HydrophobicContact CD1-CB 4.02Å; I260-L265 HydrophobicContact CD1-CD1 4.35Å; I260-L265 HydrophobicContact CG1-CB 4.29Å; I260-L268 HydrophobicContact CD1-CD1 3.96Å
261T95.4Very high95.7Very high71 Ų7157.8 Ų57.844%0.43632%0.323SS..PPolyproline II helixtrans-84.6154.1175.963.90000111.3K263 E264 L265T261-K263 PolarHBondContact O-N 2.92Å; T261-K263 VanDerWaalsContact O-N 3.15Å; T261-E264 WeakPolarHBondContact CB-OE2 3.38Å; T261-E264 WeakPolarHBondContact CG2-OE2 3.45Å; T261-E264 PolarHBondContact N-OE2 3.17Å; T261-E264 WeakPolarHBondContact O-CB 3.45Å; T261-E264 PolarHBondContact O-N 3.37Å; T261-E264 VanDerWaalsContact OG1-CD 3.24Å; T261-E264 VanDerWaalsContact OG1-CG 3.32Å; T261-E264 WeakPolarHBondContact OG1-CG 3.33Å; T261-E264 PolarHBondContact OG1-N 3.15Å; T261-E264 PolarHBondContact OG1-OE2 3.31Å; T261-L265 PolarHBondContact O-N 3.26Å
262S95.7Very high95.9Very high108 Ų10853.7 Ų53.776%0.75530%0.304SS*.Hα-helixtrans-56.8-33.4178.2-38.50000112.8N266S262-N266 WeakPolarHBondContact O-CB 3.32Å; S262-N266 PolarHBondContact O-N 3.12Å
263K95.6Very high96.1Very high85 Ų8552.1 Ų52.137%0.3730%0.302SS..Hα-helixtrans-67.5-37.7175.1-76.4-177.7160-159.80113T261 F267 P289 E292T261-K263 PolarHBondContact O-N 2.92Å; T261-K263 VanDerWaalsContact O-N 3.15Å; K263-F267 WeakPolarHBondContact O-CB 3.28Å; K263-F267 PolarHBondContact O-N 2.85Å; K263-P289 HydrophobicContact CD-CB 4.34Å; K263-P289 WeakPolarHBondContact CD-O 3.43Å; K263-P289 WeakPolarHBondContact CE-O 3.44Å; K263-P289 PolarHBondContact NZ-O 3.28Å; K263-E292 IonicContact NZ-OE2 3.99Å; K263-E292 PolarHBondContact NZ-OE2 3.07Å
264E97.1Very high96.1Very high6 Ų652.8 Ų52.83%0.02831%0.305CS..Hα-helixtrans-71.1-46.2175.8-75.2161.4141.900111.3R100 I260 T261 N266 F267 L268 Y290R100-E264 IonicContact CZ-OE1 3.42Å; R100-E264 IonicContact NE-OE1 2.69Å; R100-E264 IonicContact NH1-OE1 3.3Å; R100-E264 PolarHBondContact NH1-OE1 3.45Å; R100-E264 IonicContact NH1-OE2 2.96Å; R100-E264 PolarHBondContact NH1-OE2 3.34Å; I260-E264 HydrophobicContact CD1-CB 4.18Å; I260-E264 HydrophobicContact CG1-CB 3.69Å; T261-E264 WeakPolarHBondContact CB-OE2 3.38Å; T261-E264 WeakPolarHBondContact CG2-OE2 3.45Å; T261-E264 PolarHBondContact N-OE2 3.17Å; T261-E264 WeakPolarHBondContact O-CB 3.45Å; T261-E264 PolarHBondContact O-N 3.37Å; T261-E264 VanDerWaalsContact OG1-CD 3.24Å; T261-E264 VanDerWaalsContact OG1-CG 3.32Å; T261-E264 WeakPolarHBondContact OG1-CG 3.33Å; T261-E264 PolarHBondContact OG1-N 3.15Å; T261-E264 PolarHBondContact OG1-OE2 3.31Å; E264-N266 PolarHBondContact O-N 3.49Å; E264-F267 PolarHBondContact O-N 3.39Å; E264-L268 WeakPolarHBondContact O-CG 3.37Å; E264-L268 PolarHBondContact O-N 2.85Å; E264-Y290 HydrophobicContact CG-CD2 3.61Å; E264-Y290 HydrophobicContact CG-CE2 3.37Å
265L97.7Very high96.3Very high31 Ų3149.6 Ų49.616%0.16228%0.284CS..Hα-helixtrans-61.7-44.4177.5-178.261.4000111.3L249 I260 T261 L268 Q269L249-L265 HydrophobicContact CB-CD1 4.49Å; L249-L265 HydrophobicContact CD2-CD1 4.36Å; L249-L265 HydrophobicContact CG-CD1 4.26Å; I260-L265 HydrophobicContact CD1-CB 4.02Å; I260-L265 HydrophobicContact CD1-CD1 4.35Å; I260-L265 HydrophobicContact CG1-CB 4.29Å; T261-L265 PolarHBondContact O-N 3.26Å; L265-L268 PolarHBondContact O-N 3.43Å; L265-Q269 VanDerWaalsContact O-CG 3.31Å; L265-Q269 WeakPolarHBondContact O-CG 3.11Å; L265-Q269 PolarHBondContact O-N 2.9Å
266N97.7Very high96.6Very high73 Ų7346.7 Ų46.739%0.3926%0.263SS..Hα-helixtrans-63.5-40.6176.5176.6-128000112.3S262 E264 L268 Q269 S270 H288S262-N266 WeakPolarHBondContact O-CB 3.32Å; S262-N266 PolarHBondContact O-N 3.12Å; E264-N266 PolarHBondContact O-N 3.49Å; N266-L268 VanDerWaalsContact C-N 3.35Å; N266-L268 PolarHBondContact O-N 2.98Å; N266-Q269 PolarHBondContact O-N 3.03Å; N266-S270 WeakPolarHBondContact O-CB 3.49Å; N266-S270 PolarHBondContact O-N 2.94Å; N266-S270 PolarHBondContact O-OG 3.3Å; N266-H288 PolarHBondContact OD1-CE1 3.13Å; N266-H288 PolarHBondContact OD1-NE2 3.02Å
267F98.3Very high96.7Very high0 Ų051.7 Ų51.70%029%0.294CS..Hα-helixtrans-60.5-43172.6177.9-89.3000112.1T107 L111 V192 K263 E264 S270 C271 L285 H288 Y290 M291T107-F267 HydrophobicContact CG2-CE1 3.97Å; T107-F267 HydrophobicContact CG2-CZ 3.62Å; L111-F267 HydrophobicContact CD1-CE2 4.14Å; L111-F267 HydrophobicContact CD1-CZ 4.1Å; V192-F267 HydrophobicContact CB-CE1 4.41Å; V192-F267 HydrophobicContact CG1-CD1 4.44Å; V192-F267 HydrophobicContact CG1-CE1 4.32Å; V192-F267 HydrophobicContact CG2-CE1 4.02Å; K263-F267 WeakPolarHBondContact O-CB 3.28Å; K263-F267 PolarHBondContact O-N 2.85Å; E264-F267 PolarHBondContact O-N 3.39Å; F267-S270 PolarHBondContact O-N 3.29Å; F267-C271 PolarHBondContact O-N 3.21Å; F267-C271 VanDerWaalsContact O-N 3.15Å; F267-C271 PolarHBondContact O-SG 2.97Å; F267-C271 VanDerWaalsContact O-SG 3.35Å; F267-L285 HydrophobicContact CD2-CD2 3.9Å; F267-L285 HydrophobicContact CE2-CB 4.15Å; F267-L285 HydrophobicContact CE2-CD2 3.66Å; F267-L285 HydrophobicContact CE2-CG 4.4Å; F267-L285 HydrophobicContact CZ-CD2 4.35Å; F267-H288 HydrophobicContact CD2-CB 4.1Å; F267-H288 AromaticContact CD2-CG 3.88Å; F267-H288 AromaticContact CD2-ND1 3.66Å; F267-H288 PolarHBondContact N-CE1 3.14Å; F267-Y290 HydrophobicContact CB-CD1 4Å; F267-Y290 HydrophobicContact CB-CG 4.06Å; F267-Y290 AromaticContact CD1-CD1 3.95Å; F267-Y290 HydrophobicContact CD1-CD1 3.95Å; F267-Y290 HydrophobicContact CD1-CE1 4.22Å; F267-Y290 AromaticContact CD2-CD1 3.66Å; F267-Y290 HydrophobicContact CD2-CD1 3.66Å; F267-Y290 HydrophobicContact CD2-CG 4.34Å; F267-Y290 HydrophobicContact CE1-CD1 4.4Å; F267-Y290 HydrophobicContact CE1-CE1 4.44Å; F267-Y290 HydrophobicContact CE2-CD1 4.1Å; F267-Y290 AromaticContact CG-CD1 3.57Å; F267-Y290 HydrophobicContact CG-CD1 3.57Å; F267-Y290 HydrophobicContact CG-CE1 4.29Å; F267-Y290 HydrophobicContact CG-CG 4.15Å; F267-Y290 HydrophobicContact CZ-CD1 4.46Å; F267-M291 HydrophobicContact CD2-CE 4.16Å; F267-M291 HydrophobicContact CE2-CE 3.41Å; F267-M291 VanDerWaalsContact CE2-CE 3.41Å; F267-M291 HydrophobicContact CZ-CE 3.9Å
268L98.5Very high97Very high0 Ų050.6 Ų50.60%029%0.288CS..Hα-helixtrans-64.3-44176.4-70175000111.6G189 V192 A193 L196 L249 F253 I260 E264 L265 N266 S270 C271 L272G189-L268 WeakPolarHBondContact O-CD2 3.26Å; V192-L268 HydrophobicContact CB-CD2 4.02Å; V192-L268 HydrophobicContact CG1-CD2 3.98Å; A193-L268 HydrophobicContact CB-CD2 4.21Å; L196-L268 HydrophobicContact CD1-CD1 4.04Å; L249-L268 HydrophobicContact CD2-CB 4.18Å; F253-L268 HydrophobicContact CD2-CD1 4.47Å; F253-L268 HydrophobicContact CE1-CD1 4.27Å; F253-L268 HydrophobicContact CE2-CD1 3.61Å; F253-L268 HydrophobicContact CZ-CD1 3.48Å; F253-L268 VanDerWaalsContact CZ-CD1 3.48Å; I260-L268 HydrophobicContact CD1-CD1 3.96Å; E264-L268 WeakPolarHBondContact O-CG 3.37Å; E264-L268 PolarHBondContact O-N 2.85Å; L265-L268 PolarHBondContact O-N 3.43Å; N266-L268 VanDerWaalsContact C-N 3.35Å; N266-L268 PolarHBondContact O-N 2.98Å; L268-S270 PolarHBondContact O-N 2.89Å; L268-C271 PolarHBondContact O-N 3.34Å; L268-C271 VanDerWaalsContact O-N 3.12Å; L268-L272 HydrophobicContact CB-CD1 4.37Å; L268-L272 VanDerWaalsContact O-CB 3.23Å; L268-L272 WeakPolarHBondContact O-CB 3.17Å; L268-L272 VanDerWaalsContact O-CG 3.27Å; L268-L272 WeakPolarHBondContact O-CG 3.45Å; L268-L272 PolarHBondContact O-N 3.23Å
269Q98Very high97.3Very high85 Ų8547.3 Ų47.340%0.39727%0.265SS..Hα-helixtrans-59-44.7175.2-71.8167-31.100111.6L249 L265 N266 C271 L272 S273L249-Q269 HydrophobicContact CD2-CG 4.05Å; L265-Q269 VanDerWaalsContact O-CG 3.31Å; L265-Q269 WeakPolarHBondContact O-CG 3.11Å; L265-Q269 PolarHBondContact O-N 2.9Å; N266-Q269 PolarHBondContact O-N 3.03Å; Q269-C271 PolarHBondContact O-N 3.48Å; Q269-L272 PolarHBondContact O-N 3.39Å; Q269-L272 VanDerWaalsContact O-N 3.17Å; Q269-S273 PolarHBondContact O-N 3.35Å
270S98.2Very high97.4Very high21 Ų2146.1 Ų46.115%0.14725%0.254CS..Hα-helixtrans-63.5-22.8175.4-68.30000114.7N266 F267 L268 R279 L280N266-S270 WeakPolarHBondContact O-CB 3.49Å; N266-S270 PolarHBondContact O-N 2.94Å; N266-S270 PolarHBondContact O-OG 3.3Å; F267-S270 PolarHBondContact O-N 3.29Å; L268-S270 PolarHBondContact O-N 2.89Å; S270-R279 WeakPolarHBondContact O-CA 3.4Å; S270-L280 PolarHBondContact O-N 3.32Å
271C98.6Very high97.5Very high0 Ų048.3 Ų48.30%027%0.266CS..Hα-helixtrans-90.2-27.3173.4-68.70000113.3I185 W186 F267 L268 Q269 R279 L285I185-C271 HydrophobicContact CG2-CB 4.22Å; W186-C271 WeakPolarHBondContact CA-O 3.39Å; F267-C271 PolarHBondContact O-N 3.21Å; F267-C271 VanDerWaalsContact O-N 3.15Å; F267-C271 PolarHBondContact O-SG 2.97Å; F267-C271 VanDerWaalsContact O-SG 3.35Å; L268-C271 PolarHBondContact O-N 3.34Å; L268-C271 VanDerWaalsContact O-N 3.12Å; Q269-C271 PolarHBondContact O-N 3.48Å; C271-R279 WeakPolarHBondContact O-CD 3.36Å; C271-L285 VanDerWaalsContact SG-CD1 3.54Å
272L98.5Very high97.5Very high2 Ų245 Ų451%0.0125%0.246CC..  trans-114.227.8-165.6-62.3172.7000113.4W186 L201 W202 L218 L249 L268 Q269W186-L272 HydrophobicContact CD2-CD2 3.79Å; W186-L272 HydrophobicContact CE3-CB 4.42Å; W186-L272 HydrophobicContact CE3-CD2 3.92Å; W186-L272 HydrophobicContact CG-CD2 4.2Å; W186-L272 HydrophobicContact CZ2-CD2 4.44Å; W186-L272 HydrophobicContact CZ3-CB 4.32Å; W186-L272 HydrophobicContact CZ3-CD2 4.33Å; W186-L272 WeakPolarHBondContact CZ3-O 3.43Å; L201-L272 HydrophobicContact CD2-CD1 3.66Å; W202-L272 HydrophobicContact CH2-CD1 4.06Å; W202-L272 HydrophobicContact CH2-CD2 4.16Å; W202-L272 HydrophobicContact CZ3-CD2 4.06Å; L218-L272 HydrophobicContact CD1-CB 4.3Å; L218-L272 VanDerWaalsContact CD1-O 3.28Å; L218-L272 WeakPolarHBondContact CD1-O 3.25Å; L249-L272 HydrophobicContact CD1-CD1 4.42Å; L249-L272 HydrophobicContact CD2-CD1 4.25Å; L268-L272 HydrophobicContact CB-CD1 4.37Å; L268-L272 VanDerWaalsContact O-CB 3.23Å; L268-L272 WeakPolarHBondContact O-CB 3.17Å; L268-L272 VanDerWaalsContact O-CG 3.27Å; L268-L272 WeakPolarHBondContact O-CG 3.45Å; L268-L272 PolarHBondContact O-N 3.23Å; Q269-L272 PolarHBondContact O-N 3.39Å; Q269-L272 VanDerWaalsContact O-N 3.17Å
273S97.5Very high97.6Very high33 Ų3344.4 Ų44.423%0.23123%0.231CC..  trans-63.4139.5170.6-172.60000111.4Q269 D275 E278 R279Q269-S273 PolarHBondContact O-N 3.35Å; S273-D275 VanDerWaalsContact C-N 3.26Å; S273-D275 WeakPolarHBondContact CB-O 3.41Å; S273-D275 PolarHBondContact O-N 2.54Å; S273-D275 PolarHBondContact OG-N 2.63Å; S273-D275 PolarHBondContact OG-O 2.97Å; S273-E278 WeakPolarHBondContact OG-CB 3.39Å; S273-R279 PolarHBondContact O-NE 3.1Å; S273-R279 PolarHBondContact O-NH2 2.86Å
274M97.1Very high97.6Very high17 Ų1742.5 Ų42.58%0.08423%0.229CC..SBendtrans-66.9-29.3175.9-70.4-64.5-75.400112.1P170 W186 I214 T215 L218 D220 L221 V222P170-M274 HydrophobicContact CG-CE 4.39Å; P170-M274 HydrophobicContact CG-SD 4.04Å; W186-M274 HydrophobicContact CH2-SD 4.22Å; W186-M274 HydrophobicContact CZ3-SD 4.48Å; I214-M274 HydrophobicContact CG2-CE 4.05Å; I214-M274 HydrophobicContact CG2-SD 3.6Å; T215-M274 HydrophobicContact CG2-CE 4.05Å; L218-M274 HydrophobicContact CB-CG 3.74Å; L218-M274 HydrophobicContact CB-SD 3.75Å; L218-M274 HydrophobicContact CD1-SD 4.12Å; D220-M274 WeakPolarHBondContact O-CE 3.48Å; L221-M274 HydrophobicContact CD2-CE 4Å; V222-M274 HydrophobicContact CG1-CB 4.49Å
275D97.2Very high97.6Very high49 Ų4942.2 Ų42.226%0.26223%0.228SC..SBendtrans-87.4125.8168.8-161.1-64000109.8V222 S273 T277 E278V222-D275 HydrophobicContact CG1-CB 3.94Å; S273-D275 VanDerWaalsContact C-N 3.26Å; S273-D275 WeakPolarHBondContact CB-O 3.41Å; S273-D275 PolarHBondContact O-N 2.54Å; S273-D275 PolarHBondContact OG-N 2.63Å; S273-D275 PolarHBondContact OG-O 2.97Å; D275-T277 PolarHBondContact O-N 2.96Å; D275-T277 WeakPolarHBondContact OD1-CB 3.41Å; D275-T277 PolarHBondContact OD1-N 2.73Å; D275-T277 PolarHBondContact OD1-OG1 2.98Å; D275-E278 HydrophobicContact CB-CB 4.23Å; D275-E278 HydrophobicContact CB-CG 4.04Å; D275-E278 PolarHBondContact O-N 3.02Å
276P97.3Very high97.5Very high27 Ų2741.8 Ų41.818%0.17523%0.225CC..SBendtrans-70.6-18.4179.928.8-34.1000113.4P182P182-P276 HydrophobicContact CB-CB 3.88Å; P182-P276 VanDerWaalsContact CB-O 3.28Å; P182-P276 WeakPolarHBondContact CB-O 3.42Å; P182-P276 HydrophobicContact CG-CB 4.31Å; P182-P276 WeakPolarHBondContact CG-O 3.49Å
277T96.6Very high97.3Very high113 Ų11344 Ų4469%0.69323%0.232SC*.SBendtrans-77.8-28.7176.667.60000112.6D275 R279D275-T277 PolarHBondContact O-N 2.96Å; D275-T277 WeakPolarHBondContact OD1-CB 3.41Å; D275-T277 PolarHBondContact OD1-N 2.73Å; D275-T277 PolarHBondContact OD1-OG1 2.98Å; T277-R279 VanDerWaalsContact C-N 3.31Å; T277-R279 PolarHBondContact O-N 2.93Å
278E97.3Very high97.2Very high140 Ų14044.6 Ų44.665%0.65423%0.234SC*.SBendtrans-83.5-1176.9-65.9-63.5152.900113.5S273 D275S273-E278 WeakPolarHBondContact OG-CB 3.39Å; D275-E278 HydrophobicContact CB-CB 4.23Å; D275-E278 HydrophobicContact CB-CG 4.04Å; D275-E278 PolarHBondContact O-N 3.02Å
279R98.1Very high97Very high13 Ų1347.3 Ų47.35%0.04925%0.251CS..SBendtrans-81129.3174-62.8-177.9-159.1140.516.1110E171 P182 I185 S270 C271 S273 T277 N281E171-R279 IonicContact OE1-CZ 3.59Å; E171-R279 IonicContact OE1-NH1 3.44Å; E171-R279 PolarHBondContact OE1-NH1 2.68Å; E171-R279 IonicContact OE1-NH2 2.79Å; E171-R279 PolarHBondContact OE1-NH2 2.91Å; E171-R279 IonicContact OE2-CZ 2.66Å; E171-R279 IonicContact OE2-NH1 3.92Å; E171-R279 PolarHBondContact OE2-NH1 3.26Å; E171-R279 IonicContact OE2-NH2 2.68Å; E171-R279 PolarHBondContact OE2-NH2 3.42Å; P182-R279 HydrophobicContact CB-CB 4.44Å; P182-R279 PolarHBondContact O-NH1 2.81Å; I185-R279 HydrophobicContact CG2-CB 4.22Å; S270-R279 WeakPolarHBondContact O-CA 3.4Å; C271-R279 WeakPolarHBondContact O-CD 3.36Å; S273-R279 PolarHBondContact O-NE 3.1Å; S273-R279 PolarHBondContact O-NH2 2.86Å; T277-R279 VanDerWaalsContact C-N 3.31Å; T277-R279 PolarHBondContact O-N 2.93Å; R279-N281 PolarHBondContact O-N 3.02Å
280L98.1Very high96.8Very high61 Ų6143.4 Ų43.432%0.31923%0.233SC..PPolyproline II helixtrans-62.6131.6176.2-69.8-173.1000110.3I185 S270 L285I185-L280 WeakPolarHBondContact CG2-O 3.37Å; S270-L280 PolarHBondContact O-N 3.32Å; L280-L285 HydrophobicContact CB-CD1 4.41Å; L280-L285 HydrophobicContact CB-CD2 3.82Å; L280-L285 HydrophobicContact CB-CG 3.74Å; L280-L285 HydrophobicContact CD1-CD2 4.11Å; L280-L285 VanDerWaalsContact O-CD1 3.22Å; L280-L285 WeakPolarHBondContact O-CD1 3.48Å
281N98Very high96.5Very high80 Ų8042.4 Ų42.443%0.42823%0.226SC..PPolyproline II helixtrans-65.2164.4175.373.545.6000111.5R279 E283 S284 L285R279-N281 PolarHBondContact O-N 3.02Å; N281-E283 PolarHBondContact O-N 3.12Å; N281-E283 WeakPolarHBondContact OD1-CA 3.24Å; N281-E283 WeakPolarHBondContact OD1-CB 3.36Å; N281-E283 PolarHBondContact OD1-N 3.46Å; N281-S284 PolarHBondContact O-N 3.38Å; N281-S284 VanDerWaalsContact O-N 3.16Å; N281-S284 PolarHBondContact OD1-N 2.93Å; N281-S284 PolarHBondContact OD1-OG 2.97Å; N281-L285 WeakPolarHBondContact O-CG 3.38Å; N281-L285 PolarHBondContact O-N 3.37Å
282S97.2Very high95.8Very high2 Ų246 Ų461%0.01424%0.243CC..Hα-helixtrans-59.8-28.5-176.944.30000114.1N115 H118 L286N115-S282 WeakPolarHBondContact CA-OG 3.41Å; N115-S282 WeakPolarHBondContact OD1-CB 3.31Å; N115-S282 PolarHBondContact OD1-OG 3.31Å; H118-S282 WeakPolarHBondContact CE1-CB 3.5Å; H118-S282 PolarHBondContact CE1-OG 3.24Å; H118-S282 PolarHBondContact ND1-OG 2.66Å; S282-L286 WeakPolarHBondContact O-CB 3.1Å; S282-L286 VanDerWaalsContact O-CG 3.26Å; S282-L286 WeakPolarHBondContact O-CG 3.31Å; S282-L286 PolarHBondContact O-N 3.4Å
283E96.2Very high94.5Very high94 Ų9446.5 Ų46.544%0.43925%0.246SC..Hα-helixtrans-76.4-38177.8-156.5-158139.800111.9N115 N281 K287N115-E283 PolarHBondContact OD1-N 3.48Å; N115-E283 VanDerWaalsContact OD1-N 3.13Å; N281-E283 PolarHBondContact O-N 3.12Å; N281-E283 WeakPolarHBondContact OD1-CA 3.24Å; N281-E283 WeakPolarHBondContact OD1-CB 3.36Å; N281-E283 PolarHBondContact OD1-N 3.46Å; E283-K287 WeakPolarHBondContact O-CD 3.34Å; E283-K287 WeakPolarHBondContact O-CG 3.33Å; E283-K287 PolarHBondContact O-N 2.93Å; E283-K287 WeakPolarHBondContact OE1-CE 3.34Å; E283-K287 IonicContact OE1-NZ 3.94Å; E283-K287 PolarHBondContact OE1-NZ 2.75Å
284S97.1Very high93Very high46 Ų4653 Ų5332%0.32227%0.272SS..Hα-helixtrans-68.5-41.4172.8-650000111.5N281 L286 K287 H288N281-S284 PolarHBondContact O-N 3.38Å; N281-S284 VanDerWaalsContact O-N 3.16Å; N281-S284 PolarHBondContact OD1-N 2.93Å; N281-S284 PolarHBondContact OD1-OG 2.97Å; S284-L286 VanDerWaalsContact C-N 3.33Å; S284-L286 PolarHBondContact O-N 2.85Å; S284-K287 CarbonylContact O-C 3.54Å; S284-K287 WeakPolarHBondContact O-CA 3.43Å; S284-K287 PolarHBondContact O-N 3.1Å; S284-H288 PolarHBondContact O-N 3.34Å
285L97.4Very high91.4Very high0 Ų055.4 Ų55.40%030%0.301CS..Hα-helixtrans-66.7-33.2175.5-71.8171.6000112.7L111 I185 F267 C271 L280 N281 K287 H288L111-L285 HydrophobicContact CD1-CB 3.92Å; L111-L285 HydrophobicContact CD2-CB 3.74Å; L111-L285 HydrophobicContact CD2-CD1 4.07Å; I185-L285 HydrophobicContact CD1-CD1 4.19Å; I185-L285 HydrophobicContact CG2-CD1 3.61Å; F267-L285 HydrophobicContact CD2-CD2 3.9Å; F267-L285 HydrophobicContact CE2-CB 4.15Å; F267-L285 HydrophobicContact CE2-CD2 3.66Å; F267-L285 HydrophobicContact CE2-CG 4.4Å; F267-L285 HydrophobicContact CZ-CD2 4.35Å; C271-L285 VanDerWaalsContact SG-CD1 3.54Å; L280-L285 HydrophobicContact CB-CD1 4.41Å; L280-L285 HydrophobicContact CB-CD2 3.82Å; L280-L285 HydrophobicContact CB-CG 3.74Å; L280-L285 HydrophobicContact CD1-CD2 4.11Å; L280-L285 VanDerWaalsContact O-CD1 3.22Å; L280-L285 WeakPolarHBondContact O-CD1 3.48Å; N281-L285 WeakPolarHBondContact O-CG 3.38Å; N281-L285 PolarHBondContact O-N 3.37Å; L285-K287 PolarHBondContact O-N 3.11Å; L285-H288 VanDerWaalsContact O-CB 3.31Å; L285-H288 WeakPolarHBondContact O-CB 3.41Å; L285-H288 PolarHBondContact O-N 2.9Å
286L94.6Very high89.8Confident22 Ų2260.3 Ų60.312%0.11532%0.316CS..THydrogen-bonded Turntrans-60.4-23.6170.1-85170.8000113Y108 L111 Q112 N115 S282 S284 H297Y108-L286 HydrophobicContact CD2-CD2 3.74Å; Y108-L286 HydrophobicContact CE2-CD2 3.62Å; Y108-L286 HydrophobicContact CG-CD2 4.39Å; L111-L286 HydrophobicContact CB-CD2 3.64Å; L111-L286 HydrophobicContact CB-CG 3.84Å; Q112-L286 HydrophobicContact CG-CD2 3.9Å; N115-L286 HydrophobicContact CB-CD1 3.9Å; S282-L286 WeakPolarHBondContact O-CB 3.1Å; S282-L286 VanDerWaalsContact O-CG 3.26Å; S282-L286 WeakPolarHBondContact O-CG 3.31Å; S282-L286 PolarHBondContact O-N 3.4Å; S284-L286 VanDerWaalsContact C-N 3.33Å; S284-L286 PolarHBondContact O-N 2.85Å; L286-H297 PolarHBondContact O-CE1 2.95Å; L286-H297 PolarHBondContact O-NE2 3.48Å
287K93.7Very high88.3Confident120 Ų12060.3 Ų60.352%0.52231%0.313SS..THydrogen-bonded Turntrans-101.41.9179.9-60.7166.2-167171.20113.5E283 S284 L285 H297E283-K287 WeakPolarHBondContact O-CD 3.34Å; E283-K287 WeakPolarHBondContact O-CG 3.33Å; E283-K287 PolarHBondContact O-N 2.93Å; E283-K287 WeakPolarHBondContact OE1-CE 3.34Å; E283-K287 IonicContact OE1-NZ 3.94Å; E283-K287 PolarHBondContact OE1-NZ 2.75Å; S284-K287 CarbonylContact O-C 3.54Å; S284-K287 WeakPolarHBondContact O-CA 3.43Å; S284-K287 PolarHBondContact O-N 3.1Å; L285-K287 PolarHBondContact O-N 3.11Å; K287-H297 WeakPolarHBondContact CA-NE2 3.25Å
288H95.6Very high86.8Confident12 Ų1255 Ų556%0.05628%0.281CS..  trans-67.1144.2-170.2-166.3-98.9000112.2N266 F267 S284 L285 Y290 M291N266-H288 PolarHBondContact OD1-CE1 3.13Å; N266-H288 PolarHBondContact OD1-NE2 3.02Å; F267-H288 HydrophobicContact CD2-CB 4.1Å; F267-H288 AromaticContact CD2-CG 3.88Å; F267-H288 AromaticContact CD2-ND1 3.66Å; F267-H288 PolarHBondContact N-CE1 3.14Å; S284-H288 PolarHBondContact O-N 3.34Å; L285-H288 VanDerWaalsContact O-CB 3.31Å; L285-H288 WeakPolarHBondContact O-CB 3.41Å; L285-H288 PolarHBondContact O-N 2.9Å; H288-Y290 WeakPolarHBondContact ND1-CB 3.17Å; H288-Y290 PolarHBondContact ND1-N 2.75Å; H288-Y290 PolarHBondContact O-N 3.2Å; H288-M291 VanDerWaalsContact O-CB 3.31Å; H288-M291 WeakPolarHBondContact O-CB 3.35Å; H288-M291 PolarHBondContact O-N 3.14Å
289P94Very high85.2Confident56 Ų5653.1 Ų53.136%0.36427%0.272SS..G310 helixtrans-57.3-16.8-179.6-28.236.2000115.7K263 M291K263-P289 HydrophobicContact CD-CB 4.34Å; K263-P289 WeakPolarHBondContact CD-O 3.43Å; K263-P289 WeakPolarHBondContact CE-O 3.44Å; K263-P289 PolarHBondContact NZ-O 3.28Å; P289-M291 VanDerWaalsContact C-N 3.33Å
290Y94Very high83.2Confident4 Ų460 Ų602%0.01630%0.3CS..G310 helixtrans-65.3-31.4169.9170.8-121.5000113.5I103 R104 T107 E264 F267 H288 E292I103-Y290 WeakPolarHBondContact CG2-OH 3.46Å; R104-Y290 WeakPolarHBondContact CD-O 3.01Å; R104-Y290 PolarHBondContact NE-O 3.04Å; T107-Y290 HydrophobicContact CG2-CE1 4.45Å; E264-Y290 HydrophobicContact CG-CD2 3.61Å; E264-Y290 HydrophobicContact CG-CE2 3.37Å; F267-Y290 HydrophobicContact CB-CD1 4Å; F267-Y290 HydrophobicContact CB-CG 4.06Å; F267-Y290 AromaticContact CD1-CD1 3.95Å; F267-Y290 HydrophobicContact CD1-CD1 3.95Å; F267-Y290 HydrophobicContact CD1-CE1 4.22Å; F267-Y290 AromaticContact CD2-CD1 3.66Å; F267-Y290 HydrophobicContact CD2-CD1 3.66Å; F267-Y290 HydrophobicContact CD2-CG 4.34Å; F267-Y290 HydrophobicContact CE1-CD1 4.4Å; F267-Y290 HydrophobicContact CE1-CE1 4.44Å; F267-Y290 HydrophobicContact CE2-CD1 4.1Å; F267-Y290 AromaticContact CG-CD1 3.57Å; F267-Y290 HydrophobicContact CG-CD1 3.57Å; F267-Y290 HydrophobicContact CG-CE1 4.29Å; F267-Y290 HydrophobicContact CG-CG 4.15Å; F267-Y290 HydrophobicContact CZ-CD1 4.46Å; H288-Y290 WeakPolarHBondContact ND1-CB 3.17Å; H288-Y290 PolarHBondContact ND1-N 2.75Å; H288-Y290 PolarHBondContact O-N 3.2Å; Y290-E292 PolarHBondContact O-N 2.83Å
291M91.8Very high81.5Confident0 Ų059.4 Ų59.40%029%0.293CS..G310 helixtrans-70.4-18.5179.3-63.3-59.4157.400112.9R104 T107 Y108 L111 F267 H288 P289 M293 P298R104-M291 WeakPolarHBondContact CD-O 3.17Å; R104-M291 HydrophobicContact CG-SD 4.44Å; T107-M291 HydrophobicContact CG2-CE 3.89Å; Y108-M291 HydrophobicContact CD2-CG 4.49Å; Y108-M291 HydrophobicContact CD2-SD 4.05Å; L111-M291 HydrophobicContact CD1-CE 3.35Å; F267-M291 HydrophobicContact CD2-CE 4.16Å; F267-M291 HydrophobicContact CE2-CE 3.41Å; F267-M291 VanDerWaalsContact CE2-CE 3.41Å; F267-M291 HydrophobicContact CZ-CE 3.9Å; H288-M291 VanDerWaalsContact O-CB 3.31Å; H288-M291 WeakPolarHBondContact O-CB 3.35Å; H288-M291 PolarHBondContact O-N 3.14Å; P289-M291 VanDerWaalsContact C-N 3.33Å; M291-M293 PolarHBondContact O-N 2.59Å; M291-P298 HydrophobicContact CB-CG 3.96Å; M291-P298 WeakPolarHBondContact O-CD 3.48Å; M291-P298 WeakPolarHBondContact O-CG 3.44Å
292E84.3Confident79.6Confident75 Ų7558.8 Ų58.835%0.3529%0.288SS..  trans-62127.9178.4-64.1171.8179.200111.8K263 Y290 R296K263-E292 IonicContact NZ-OE2 3.99Å; K263-E292 PolarHBondContact NZ-OE2 3.07Å; Y290-E292 PolarHBondContact O-N 2.83Å; E292-R296 WeakPolarHBondContact CA-O 3.42Å
293M70.4Confident77.7Confident13 Ų1360.9 Ų60.96%0.06431%0.309CS..BIsolated β-bridgetrans-112.5124.3172.5-62-173.4-60.700107.6L101 M291 G295 R296 P298 Y301L101-M293 HydrophobicContact CD1-CG 4.27Å; L101-M293 HydrophobicContact CD1-SD 3.44Å; L101-M293 WeakPolarHBondContact CD1-SD 3.32Å; M291-M293 PolarHBondContact O-N 2.59Å; M293-G295 PolarHBondContact O-N 3.41Å; M293-R296 PolarHBondContact N-O 3.3Å; M293-R296 PolarHBondContact O-N 2.9Å; M293-R296 VanDerWaalsContact O-O 3.06Å; M293-P298 HydrophobicContact CE-CB 4.23Å; M293-P298 HydrophobicContact CE-CG 4.35Å; M293-Y301 HydrophobicContact CB-CD2 4.2Å; M293-Y301 HydrophobicContact CB-CE2 3.91Å; M293-Y301 HydrophobicContact CE-CD2 3.67Å; M293-Y301 HydrophobicContact CE-CE2 4.48Å; M293-Y301 HydrophobicContact CE-CG 4.04Å; M293-Y301 VanDerWaalsContact O-CE2 3.26Å; M293-Y301 WeakPolarHBondContact O-CE2 3.32Å; M293-Y301 PolarHBondContact O-OH 3.4Å
294H66.5Low76.2Confident169 Ų16960.3 Ų60.378%0.78231%0.307SS*.THydrogen-bonded Turntrans4837.6-179.3-50-78.7000114.3R296H294-R296 VanDerWaalsContact C-N 3.35Å; H294-R296 PolarHBondContact O-N 3.27Å
295G64.5Low74.7Confident68 Ų6858.6 Ų58.670%0.70129%0.294SS*.THydrogen-bonded Turntrans77.29.2-179.200000115.7M293M293-G295 PolarHBondContact O-N 3.41Å
296R62.3Low73.2Confident152 Ų15264.2 Ų64.257%0.57432%0.318SS*.BIsolated β-bridgetrans-125.3144172.3-39.3-179.1-176.1-177.8-1.4111.6E292 M293 H294 Y300 Y301E292-R296 WeakPolarHBondContact CA-O 3.42Å; M293-R296 PolarHBondContact N-O 3.3Å; M293-R296 PolarHBondContact O-N 2.9Å; M293-R296 VanDerWaalsContact O-O 3.06Å; H294-R296 VanDerWaalsContact C-N 3.35Å; H294-R296 PolarHBondContact O-N 3.27Å; R296-Y300 HydrophobicContact CB-CD2 4.2Å; R296-Y301 HydrophobicContact CB-CE2 3.64Å; R296-Y301 HydrophobicContact CG-CE2 4.32Å
297H66.1Low71.7Confident26 Ų2670.1 Ų70.112%0.1235%0.345CS..  trans-66.9149.9176.8-158.2-117.1000112.4L286 K287 Q299 Y300L286-H297 PolarHBondContact O-CE1 2.95Å; L286-H297 PolarHBondContact O-NE2 3.48Å; K287-H297 WeakPolarHBondContact CA-NE2 3.25Å; H297-Q299 HydrophobicContact CB-CG 4.16Å; H297-Q299 PolarHBondContact ND1-OE1 2.97Å; H297-Q299 PolarHBondContact O-N 2.89Å; H297-Y300 HydrophobicContact CB-CD2 3.8Å; H297-Y300 HydrophobicContact CB-CE2 3.82Å; H297-Y300 WeakPolarHBondContact O-CB 3.37Å; H297-Y300 WeakPolarHBondContact O-CD2 3.25Å; H297-Y300 PolarHBondContact O-N 2.98Å
298P65.3Low70.4Confident3 Ų365.9 Ų65.92%0.01933%0.329CS..G310 helixtrans-61-21.9-174.9-26.637.5000114.7Y108 M291 M293 Y300 Y301 H302Y108-P298 HydrophobicContact CD1-CB 4.26Å; Y108-P298 HydrophobicContact CD2-CB 3.85Å; Y108-P298 HydrophobicContact CD2-CG 3.75Å; Y108-P298 HydrophobicContact CE1-CB 4.12Å; Y108-P298 HydrophobicContact CE2-CB 3.69Å; Y108-P298 HydrophobicContact CE2-CG 3.9Å; Y108-P298 HydrophobicContact CG-CB 4.13Å; Y108-P298 HydrophobicContact CG-CG 4.28Å; M291-P298 HydrophobicContact CB-CG 3.96Å; M291-P298 WeakPolarHBondContact O-CD 3.48Å; M291-P298 WeakPolarHBondContact O-CG 3.44Å; M293-P298 HydrophobicContact CE-CB 4.23Å; M293-P298 HydrophobicContact CE-CG 4.35Å; P298-Y300 PolarHBondContact O-N 2.78Å; P298-Y301 CarbonylContact O-C 3.41Å; P298-Y301 VanDerWaalsContact O-C 3.29Å; P298-Y301 WeakPolarHBondContact O-CA 3.41Å; P298-Y301 PolarHBondContact O-N 3.43Å; P298-H302 PolarHBondContact O-N 2.8Å
299Q64.1Low69.2Low100 Ų10066.6 Ų66.647%0.46733%0.332SS..G310 helixtrans-56.8-27.5170.875.7-158.131.300113.3H297 H302H297-Q299 HydrophobicContact CB-CG 4.16Å; H297-Q299 PolarHBondContact ND1-OE1 2.97Å; H297-Q299 PolarHBondContact O-N 2.89Å; Q299-H302 WeakPolarHBondContact O-CB 3.45Å
300Y56.5Low67.5Low158 Ų15868.6 Ų68.662%0.6235%0.347SS*.G310 helixtrans-85.1-18.2175.7-56.2-71.2000113R296 H297 P298R296-Y300 HydrophobicContact CB-CD2 4.2Å; H297-Y300 HydrophobicContact CB-CD2 3.8Å; H297-Y300 HydrophobicContact CB-CE2 3.82Å; H297-Y300 WeakPolarHBondContact O-CB 3.37Å; H297-Y300 WeakPolarHBondContact O-CD2 3.25Å; H297-Y300 PolarHBondContact O-N 2.98Å; P298-Y300 PolarHBondContact O-N 2.78Å
301Y61.4Low65.9Low47 Ų4771.9 Ų71.918%0.18437%0.371CS..G310 helixtrans-99.918.9169.2-58.3-74.9000112.2M293 R296 P298 G303 E304M293-Y301 HydrophobicContact CB-CD2 4.2Å; M293-Y301 HydrophobicContact CB-CE2 3.91Å; M293-Y301 HydrophobicContact CE-CD2 3.67Å; M293-Y301 HydrophobicContact CE-CE2 4.48Å; M293-Y301 HydrophobicContact CE-CG 4.04Å; M293-Y301 VanDerWaalsContact O-CE2 3.26Å; M293-Y301 WeakPolarHBondContact O-CE2 3.32Å; M293-Y301 PolarHBondContact O-OH 3.4Å; R296-Y301 HydrophobicContact CB-CE2 3.64Å; R296-Y301 HydrophobicContact CG-CE2 4.32Å; P298-Y301 CarbonylContact O-C 3.41Å; P298-Y301 VanDerWaalsContact O-C 3.29Å; P298-Y301 WeakPolarHBondContact O-CA 3.41Å; P298-Y301 PolarHBondContact O-N 3.43Å; Y301-G303 PolarHBondContact O-N 3.37Å; Y301-E304 PolarHBondContact O-N 3.22Å
302H58.9Low64.2Low68 Ų6873.8 Ų73.832%0.31538%0.383SS..Hα-helixtrans-59.7-13.6177.5-174.767.1000112.8P298 Q299 K306P298-H302 PolarHBondContact O-N 2.8Å; Q299-H302 WeakPolarHBondContact O-CB 3.45Å; H302-K306 VanDerWaalsContact NE2-CE 3.28Å; H302-K306 WeakPolarHBondContact NE2-CE 3.36Å; H302-K306 WeakPolarHBondContact O-CB 3.28Å; H302-K306 VanDerWaalsContact O-CG 3.25Å; H302-K306 WeakPolarHBondContact O-CG 3.08Å; H302-K306 PolarHBondContact O-N 2.94Å
303G57.1Low62.8Low45 Ų4573.4 Ų73.446%0.46440%0.4SS..Hα-helixtrans-62.5-44.9165.900000114.1Y301 K306 Q307Y301-G303 PolarHBondContact O-N 3.37Å; G303-K306 PolarHBondContact O-N 2.72Å; G303-Q307 WeakPolarHBondContact O-CG 3.37Å; G303-Q307 PolarHBondContact O-N 3.36Å
304E63.6Low62.1Low82 Ų8274.5 Ų74.538%0.38341%0.406SS..Hα-helixtrans-65.1-46.4175.7-71.1-178.6-140.400110.8K105 Y301 K306 Q307 V308K105-E304 WeakPolarHBondContact CE-OE2 3.12Å; K105-E304 IonicContact NZ-OE2 2.96Å; K105-E304 PolarHBondContact NZ-OE2 3.28Å; Y301-E304 PolarHBondContact O-N 3.22Å; E304-K306 VanDerWaalsContact C-N 3.3Å; E304-K306 PolarHBondContact O-N 2.93Å; E304-Q307 WeakPolarHBondContact O-CB 3.37Å; E304-Q307 PolarHBondContact O-N 3.11Å; E304-Q307 VanDerWaalsContact O-N 3.13Å; E304-V308 PolarHBondContact O-N 2.58Å
305L66.9Low60.8Low11 Ų1169.6 Ų69.66%0.05840%0.401CS..Hα-helixtrans-63.7-36.7177.2-65174.2000111.5Y108 Q109 V308 Y309Y108-L305 HydrophobicContact CD1-CD1 3.73Å; Y108-L305 HydrophobicContact CE1-CD1 3.55Å; Q109-L305 HydrophobicContact CG-CD2 4.44Å; L305-V308 WeakPolarHBondContact O-CB 3.5Å; L305-V308 PolarHBondContact O-N 3.29Å; L305-Y309 HydrophobicContact CB-CE2 4.06Å; L305-Y309 WeakPolarHBondContact O-CD2 3.43Å; L305-Y309 VanDerWaalsContact O-CG 3.27Å; L305-Y309 PolarHBondContact O-N 3.3Å
306K65Low59.7Low118 Ų11870.8 Ų70.851%0.51339%0.385SS..Hα-helixtrans-62.1-41.7170.8-87.4175.9163.1173.10112.4H302 G303 E304 V308 Y309 S310H302-K306 VanDerWaalsContact NE2-CE 3.28Å; H302-K306 WeakPolarHBondContact NE2-CE 3.36Å; H302-K306 WeakPolarHBondContact O-CB 3.28Å; H302-K306 VanDerWaalsContact O-CG 3.25Å; H302-K306 WeakPolarHBondContact O-CG 3.08Å; H302-K306 PolarHBondContact O-N 2.94Å; G303-K306 PolarHBondContact O-N 2.72Å; E304-K306 VanDerWaalsContact C-N 3.3Å; E304-K306 PolarHBondContact O-N 2.93Å; K306-V308 VanDerWaalsContact C-N 3.32Å; K306-V308 PolarHBondContact O-N 3.45Å; K306-Y309 PolarHBondContact O-N 3.22Å; K306-S310 WeakPolarHBondContact O-CB 3.42Å; K306-S310 PolarHBondContact O-N 3.02Å; K306-S310 PolarHBondContact O-OG 2.87Å; K306-S310 VanDerWaalsContact O-OG 3.09Å
307Q64Low58.3Low145 Ų14570.7 Ų70.768%0.67840%0.396SS*.Hα-helixtrans-61.4-42.3174.9-71.2173.919.800111.4G303 E304 S310 S311G303-Q307 WeakPolarHBondContact O-CG 3.37Å; G303-Q307 PolarHBondContact O-N 3.36Å; E304-Q307 WeakPolarHBondContact O-CB 3.37Å; E304-Q307 PolarHBondContact O-N 3.11Å; E304-Q307 VanDerWaalsContact O-N 3.13Å; Q307-S310 PolarHBondContact O-N 2.89Å; Q307-S311 WeakPolarHBondContact O-CB 3.5Å; Q307-S311 PolarHBondContact O-N 3.31Å
308V66.5Low56.7Low31 Ų3177.1 Ų77.119%0.18843%0.431CS..Hα-helixtrans-58-50.4172.71730000110.9S137 Q139 E304 L305 K306 S311S137-V308 WeakPolarHBondContact O-CG2 3.36Å; Q139-V308 HydrophobicContact CB-CG1 3.64Å; Q139-V308 HydrophobicContact CG-CG1 4.29Å; E304-V308 PolarHBondContact O-N 2.58Å; L305-V308 WeakPolarHBondContact O-CB 3.5Å; L305-V308 PolarHBondContact O-N 3.29Å; K306-V308 VanDerWaalsContact C-N 3.32Å; K306-V308 PolarHBondContact O-N 3.45Å; V308-S311 PolarHBondContact O-N 2.8Å; V308-S311 PolarHBondContact O-OG 3.32Å
309Y69.4Low55.1Low28 Ų2885.3 Ų85.311%0.1147%0.469CS..Hα-helixtrans-63.1-44.5178-61.6-41.8000113.3P61 N62 Q112 Q139 L305 K306 S311 C312P61-Y309 HydrophobicContact CB-CD1 3.89Å; P61-Y309 HydrophobicContact CB-CE1 3.95Å; P61-Y309 HydrophobicContact CB-CG 4.43Å; P61-Y309 HydrophobicContact CG-CE1 4.42Å; N62-Y309 WeakPolarHBondContact ND2-CE1 3.49Å; N62-Y309 PolarHBondContact ND2-OH 3.38Å; N62-Y309 VanDerWaalsContact ND2-OH 3.17Å; N62-Y309 PolarHBondContact OD1-OH 2.87Å; Q112-Y309 PolarHBondContact OE1-OH 3.47Å; Q112-Y309 VanDerWaalsContact OE1-OH 3.13Å; Q139-Y309 HydrophobicContact CG-CD1 3.92Å; Q139-Y309 HydrophobicContact CG-CE1 3.95Å; L305-Y309 HydrophobicContact CB-CE2 4.06Å; L305-Y309 WeakPolarHBondContact O-CD2 3.43Å; L305-Y309 VanDerWaalsContact O-CG 3.27Å; L305-Y309 PolarHBondContact O-N 3.3Å; K306-Y309 PolarHBondContact O-N 3.22Å; Y309-S311 VanDerWaalsContact C-N 3.32Å; Y309-S311 PolarHBondContact O-N 3.09Å; Y309-C312 PolarHBondContact O-N 2.94Å
310S58.5Low53.4Low97 Ų9784 Ų8468%0.67848%0.482SS*.Hα-helixtrans-63.2-36.1177.9-670000112.6K306 Q307 C312 G313K306-S310 WeakPolarHBondContact O-CB 3.42Å; K306-S310 PolarHBondContact O-N 3.02Å; K306-S310 PolarHBondContact O-OG 2.87Å; K306-S310 VanDerWaalsContact O-OG 3.09Å; Q307-S310 PolarHBondContact O-N 2.89Å; S310-C312 PolarHBondContact O-N 2.81Å; S310-G313 PolarHBondContact O-N 2.95Å
311S60.3Low52.2Low74 Ų7485.8 Ų85.852%0.51750%0.498SS..Hα-helixtrans-63.8-20.4178.1750000114.2S137 Q307 V308 Y309S137-S311 WeakPolarHBondContact CB-OG 3.48Å; S137-S311 PolarHBondContact OG-OG 3.17Å; Q307-S311 WeakPolarHBondContact O-CB 3.5Å; Q307-S311 PolarHBondContact O-N 3.31Å; V308-S311 PolarHBondContact O-N 2.8Å; V308-S311 PolarHBondContact O-OG 3.32Å; Y309-S311 VanDerWaalsContact C-N 3.32Å; Y309-S311 PolarHBondContact O-N 3.09Å
312C57.6Low50.8Low39 Ų3993.3 Ų93.326%0.26453%0.532SS..THydrogen-bonded Turntrans-97.70.9-177.2-71.70000114.6S137 Q139 Y309 S310 D314S137-C312 PolarHBondContact OG-SG 2.69Å; Q139-C312 PolarHBondContact OE1-SG 3.26Å; Y309-C312 PolarHBondContact O-N 2.94Å; S310-C312 PolarHBondContact O-N 2.81Å; C312-D314 PolarHBondContact O-N 3.37Å
313G53.2Low49.3Very low67 Ų67100 Ų10069%0.69156%0.56SS**THydrogen-bonded Turntrans69.310.317600000115.4S310 G315S310-G313 PolarHBondContact O-N 2.95Å; G313-G315 PolarHBondContact O-N 3.01Å
314D55.8Low48.3Very low36 Ų36107 Ų10719%0.19358%0.578CS.*  trans-70.369.8176.5-80.2-26.1000111Q139 K141 C312 Y316Q139-D314 PolarHBondContact NE2-OD2 3.29Å; K141-D314 IonicContact NZ-OD1 3.48Å; K141-D314 IonicContact NZ-OD2 3.85Å; K141-D314 PolarHBondContact NZ-OD2 3.09Å; C312-D314 PolarHBondContact O-N 3.37Å; D314-Y316 VanDerWaalsContact C-N 3.29Å; D314-Y316 HydrophobicContact CB-CD2 4.03Å; D314-Y316 HydrophobicContact CB-CE2 3.86Å; D314-Y316 WeakPolarHBondContact O-CD2 3.18Å; D314-Y316 PolarHBondContact O-N 3.08Å
315G39.8Very low46.9Very low67 Ų67108.1 Ų108.169%0.69159%0.594SS**  trans-71.371.9-179.100000113.6G313 N317G313-G315 PolarHBondContact O-N 3.01Å; G315-N317 PolarHBondContact O-N 3.15Å
316Y42Very low45.3Very low93 Ų93116.5 Ų116.537%0.36563%0.634SS.*  trans-69.873.2175.5-76.8-80.5000112.3K59 H60 P61 D314 N318K59-Y316 HydrophobicContact CB-CE1 4.26Å; H60-Y316 PolarHBondContact O-OH 3.08Å; P61-Y316 HydrophobicContact CB-CE2 4.13Å; D314-Y316 VanDerWaalsContact C-N 3.29Å; D314-Y316 HydrophobicContact CB-CD2 4.03Å; D314-Y316 HydrophobicContact CB-CE2 3.86Å; D314-Y316 WeakPolarHBondContact O-CD2 3.18Å; D314-Y316 PolarHBondContact O-N 3.08Å; Y316-N318 PolarHBondContact O-N 2.68Å
317N33.1Very low43.9Very low149 Ų149122 Ų12280%0.79765%0.651SS**  trans-66.2113170.4-84.9-18.5000110.3G315 H319G315-N317 PolarHBondContact O-N 3.15Å; N317-H319 PolarHBondContact O-N 3.38Å
318N31.1Very low42.3Very low161 Ų161122.4 Ų122.486%0.86166%0.658SS**  trans-81.959.1-171.2-155.113.3000111.9Y316Y316-N318 PolarHBondContact O-N 2.68Å
319H33.2Very low40.7Very low176 Ų176130.2 Ų130.282%0.81569%0.69SS**  trans-132.8107.1-169.5-84.3-2.1000114.2N317N317-H319 PolarHBondContact O-N 3.38Å
320G28.6Very low38.9Very low71 Ų71134.6 Ų134.673%0.73272%0.722SS**  trans62.796.9140.700000118.1K322G320-K322 PolarHBondContact O-N 2.86Å
321M29.6Very low37.6Very low197 Ų197139.3 Ų139.397%0.9773%0.733SS**  trans-57.3104.8162.7-77.4-168.817200111.6
322K32Very low36.2Very low205 Ų205143.7 Ų143.789%0.89175%0.75SS**  trans-95.7104.7160-78.4-173174.2178.90109.5G320G320-K322 PolarHBondContact O-N 2.86Å
323K28.9Very low34.8Very low208 Ų208146.7 Ų146.790%0.90477%0.772SS**  trans-54.4136.1175.1-66.3-178.3176.9-179.10110.6
324K35.9Very low33.7Very low192 Ų192152.7 Ų152.784%0.83578%0.782SS**  trans-146.7105.4162.8-129177.2-175.6-178.50112.1
325S33Very low32.3Very low105 Ų105158.8 Ų158.873%0.73482%0.815SS**  trans41.695161.660.30000117.6
326E33.8Very low31.6Very low188 Ų188164.8 Ų164.888%0.87982%0.822SS**  trans-66.7151.4153.8-63.9-179.6117.800109.9
327R35Very low30.8Very low234 Ų234166.7 Ų166.788%0.88385%0.845SS**  trans-112.2121.8166.2-62.5-172.4-165.4179.14.8107.8F329R327-F329 PolarHBondContact O-N 2.96Å
328N30.7Very low30.5Very low153 Ų153165 Ų16582%0.81884%0.84SS**  trans-62.1134.9-175.9-65.3-19.1000111.6
329F33.3Very low30.1Very low195 Ų195166 Ų16686%0.85584%0.842SS**  trans-108.5133.1151.2-96.4-92.2000107.1R327 Q331R327-F329 PolarHBondContact O-N 2.96Å; F329-Q331 PolarHBondContact O-N 2.74Å
330P32.4Very low29.7Very low120 Ų120164.6 Ų164.678%0.77984%0.839SS**  trans-67.7130.1-174.626.9-33.9000111.1
331Q29.6Very low29.5Very low195 Ų195168.6 Ų168.691%0.91184%0.843SS**  trans-75.8134.6159.8-66.3179.9-5.100107.9F329F329-Q331 PolarHBondContact O-N 2.74Å
332N30.9Very low29.2Very low166 Ų166165.4 Ų165.489%0.88883%0.826SS**  trans-132.6123167-149.75000107.8
333S28.2Very low28.7Very low103 Ų103163.3 Ų163.372%0.7282%0.823SS**  trans-118.8113.7-160.652.80000112
334Q30.9Very low28.6Very low193 Ų193158.8 Ų158.890%0.90282%0.818SS**  trans-136.4114.1161.5-72.1-167.2-13.400109.4
335N27.3Very low28Very low164 Ų164156.8 Ų156.888%0.87782%0.821SS**  trans-85.1129.3175.1-77.6-14.4000110.3
336K25.2Very low27.7Very low193 Ų193154.1 Ų154.184%0.83981%0.811SS**  trans-137.8132.8152.2-75.6-170175.6-177.10108.4
337P25.3Very low27.3Very low132 Ų132151.9 Ų151.986%0.85781%0.81SS**  trans-71.3142.9170.831.2-33.5000109.7
338V25.2Very low26.9Very low113 Ų113146.1 Ų146.169%0.68580%0.795SS**  trans-137.7115.5174.1178.60000107.3
339M22.2Very low26.9Very low182 Ų182146.5 Ų146.590%0.89780%0.795SS**  trans-67.9135.1173.4-65-155-63.600109.9
340I25.7Very low26.7Very low147 Ų147141.3 Ų141.375%0.75478%0.781SS**  trans-117.7115.7176.8-63.4179.7000108.5
341N23.7Very low27.2Very low156 Ų156138 Ų13883%0.83475%0.753SS**  trans-68.9151.4176.9-92.3-16.6000112.2I343N341-I343 PolarHBondContact O-N 2.55Å
342Q23.7Very low27.4Very low130 Ų130138.8 Ų138.861%0.60775%0.747SS**  trans-67.1119.9175.4-61.3167.6-10.900111.3
343I22.4Very low27.8Very low161 Ų161137.2 Ų137.283%0.82673%0.733SS**  trans-160.3124.6149-84.9124.3000107.6N341N341-I343 PolarHBondContact O-N 2.55Å
344S26.6Very low28.1Very low113 Ų113136.6 Ų136.679%0.7972%0.715SS**  trans-175.5109.2148.9-87.20000111.3G346S344-G346 PolarHBondContact O-N 2.83Å
345T22.9Very low28.1Very low149 Ų149136 Ų13691%0.91471%0.712SS**  trans-81.2103.7175.448.10000111.1
346G26.4Very low28.2Very low50 Ų50136 Ų13652%0.51571%0.707SS.*PPolyproline II helixtrans-96.8121.5173.600000112.6S344 M348S344-G346 PolarHBondContact O-N 2.83Å; G346-M348 PolarHBondContact O-N 2.95Å
347T25.1Very low28.5Very low141 Ų141134.3 Ų134.387%0.86570%0.702SS**PPolyproline II helixtrans-65.7121.4-179.1-51.30000112I349T347-I349 PolarHBondContact O-N 3.17Å
348M26.6Very low28.7Very low112 Ų112134.8 Ų134.855%0.55269%0.693SS**PPolyproline II helixtrans-65.1130.5171-77.4-168.7135.100111.4G346 P350G346-M348 PolarHBondContact O-N 2.95Å; M348-P350 VanDerWaalsContact O-CD 3.27Å; M348-P350 WeakPolarHBondContact O-CD 3.36Å
349I30.8Very low28.8Very low162 Ų162135.8 Ų135.883%0.83169%0.693SS**  trans-73.7115.5160.1-57.6175.7000107.1T347T347-I349 PolarHBondContact O-N 3.17Å
350P30.6Very low29.1Very low86 Ų86133 Ų13356%0.55869%0.689SS**  trans-75.6134.2-178.7-12.729.2000110.6M348 R352M348-P350 VanDerWaalsContact O-CD 3.27Å; M348-P350 WeakPolarHBondContact O-CD 3.36Å; P350-R352 HydrophobicContact CB-CG 4.25Å; P350-R352 PolarHBondContact O-N 3.33Å
351R41.5Very low29.3Very low50 Ų50134.7 Ų134.719%0.18969%0.693CS.*  trans-64.977.2161.9-76.7-159.6-171.3175.19.2109.1L88 E130 Y167 E194 K353 Y354L88-R351 VanDerWaalsContact CD1-CZ 3.5Å; E130-R351 IonicContact OE1-NH2 3.86Å; E130-R351 PolarHBondContact OE1-NH2 3.17Å; Y167-R351 PolarHBondContact OH-NH2 3.05Å; E194-R351 IonicContact OE1-CZ 2.81Å; E194-R351 IonicContact OE1-NH1 3.75Å; E194-R351 PolarHBondContact OE1-NH1 3.01Å; E194-R351 IonicContact OE1-NH2 2.59Å; E194-R351 PolarHBondContact OE1-NH2 3.13Å; E194-R351 IonicContact OE2-NH2 3.99Å; R351-K353 PolarHBondContact O-N 3.42Å; R351-Y354 HydrophobicContact CB-CD2 4.05Å; R351-Y354 PolarHBondContact O-N 3.24Å
352R34.3Very low29.7Very low211 Ų211135.7 Ų135.780%0.79669%0.693SS**THydrogen-bonded Turntrans-57.5-12.9-166.8-90.5-173.6169.7173.6-2.7116.2P350P350-R352 HydrophobicContact CB-CG 4.25Å; P350-R352 PolarHBondContact O-N 3.33Å
353K38.4Very low30.2Very low134 Ų134134.3 Ų134.358%0.58370%0.698SS**THydrogen-bonded Turntrans-86.2-26.5-177-67.7178179.7168.80114.8E92 R351 Q355E92-K353 IonicContact OE2-NZ 2.78Å; R351-K353 PolarHBondContact O-N 3.42Å; K353-Q355 VanDerWaalsContact C-N 3.32Å; K353-Q355 PolarHBondContact O-N 3.43Å
354Y35.6Very low30.7Very low89 Ų89133.7 Ų133.735%0.34970%0.695SS.*THydrogen-bonded Turntrans-81.1-0.1-170.3-74.9-88.2000115.6S198 L199 R351S198-Y354 VanDerWaalsContact O-CE1 3.32Å; S198-Y354 WeakPolarHBondContact O-CE1 3.48Å; S198-Y354 PolarHBondContact O-OH 2.96Å; L199-Y354 HydrophobicContact CD2-CD1 3.75Å; L199-Y354 HydrophobicContact CD2-CE1 3.68Å; R351-Y354 HydrophobicContact CB-CD2 4.05Å; R351-Y354 PolarHBondContact O-N 3.24Å
355Q30.5Very low31.2Very low180 Ų180135.3 Ų135.384%0.84170%0.695SS**THydrogen-bonded Turntrans-112.21.6178.7-73.6-174.4-900114.7K353K353-Q355 VanDerWaalsContact C-N 3.32Å; K353-Q355 PolarHBondContact O-N 3.43Å
356Q30Very low31.6Very low164 Ų164139.2 Ų139.277%0.76669%0.693SS**THydrogen-bonded Turntrans-115.9-11.9-175.1-73.1-174.5-25.100115.4Q358Q356-Q358 VanDerWaalsContact C-N 3.31Å; Q356-Q358 PolarHBondContact O-N 2.84Å; Q356-Q358 VanDerWaalsContact O-N 3.13Å
357Q31.1Very low32.2Very low158 Ų158143.8 Ų143.874%0.73871%0.705SS**SBendtrans-88.856.4178.9-66.2-170.4-5.100112.9
358Q30.2Very low32.7Very low143 Ų143145.1 Ų145.167%0.66870%0.702SS**SBendtrans-161.241.4171-129.2165.6100.300116.6Q356Q356-Q358 VanDerWaalsContact C-N 3.31Å; Q356-Q358 PolarHBondContact O-N 2.84Å; Q356-Q358 VanDerWaalsContact O-N 3.13Å
359I26.9Very low33.2Very low134 Ų134145.4 Ų145.469%0.68771%0.71SS**  trans-142.5123.7160-72.7100000109.5Q361I359-Q361 HydrophobicContact CG2-CG 3.77Å
360P27.4Very low33.5Very low124 Ų124144.3 Ų144.381%0.80571%0.711SS**  trans-80113.4153.6-3.622.2000108.6Q362P360-Q362 PolarHBondContact O-N 3.09Å
361Q31.2Very low33.7Very low181 Ų181143.3 Ų143.385%0.84672%0.716SS**  trans-81.7100.5170.3-74.8-172.7-22.900109.1I359 S363I359-Q361 HydrophobicContact CG2-CG 3.77Å; Q361-S363 PolarHBondContact O-N 2.83Å
362Q32.5Very low33.7Very low177 Ų177148 Ų14883%0.82775%0.751SS**  trans-78.6111158.6-77.7-178.5-28.300108.2P360 I364P360-Q362 PolarHBondContact O-N 3.09Å; Q362-I364 PolarHBondContact O-N 2.96Å
363S32.8Very low33.8Very low102 Ų102143.4 Ų143.471%0.71375%0.748SS**  trans-67.7117.7167.946.10000109.4Q361Q361-S363 PolarHBondContact O-N 2.83Å
364I32.9Very low33.9Very low147 Ų147145.5 Ų145.575%0.75476%0.76SS**  trans-102.897.8168.3-61.7175000106.7Q362 R366Q362-I364 PolarHBondContact O-N 2.96Å; I364-R366 PolarHBondContact O-N 3.39Å
365D38Very low34Very low147 Ų147147.6 Ų147.679%0.78678%0.777SS**  trans-66.1130.6171.5-73.1-57.5000110.2
366R30.9Very low34.1Very low232 Ų232147.5 Ų147.588%0.87578%0.777SS**  trans-113.3100170.7-85.6-174.4165.5-168.4-3.5109.1I364I364-R366 PolarHBondContact O-N 3.39Å
367N39.3Very low34.5Very low146 Ų146145 Ų14578%0.78178%0.778SS**  trans-134.596.5163.4-97-29.9000111.4
368Q35.3Very low34.6Very low169 Ų169142.1 Ų142.179%0.7978%0.775SS**  trans48.1159.9137.8-53-166.822.700122.9
369T37.1Very low34.8Very low117 Ų117140.6 Ų140.672%0.71878%0.78SS**  trans68.694.4161.240.10000120.2
370T37.2Very low35.3Very low139 Ų139141.7 Ų141.785%0.85379%0.786SS**  50.9131.812456.20000121.2
371G35.7Very low35.7Very low65 Ų65140.8 Ų140.867%0.6778%0.782SS**  trans178.7-21.4162.600000122.6
372T40.9Very low36.4Very low149 Ų149137.6 Ų137.691%0.91478%0.777SS**  trans61.6161.8-177.735.40000117.5
373P36.2Very low36.5Very low115 Ų115135.1 Ų135.175%0.74777%0.774SS**  trans-123172.3-161.742.9-31.4000116
374Q39.6Very low36.7Very low177 Ų177139.8 Ų139.883%0.82778%0.782SS**  trans-166.1145.9144.4-109.6170.517.600115.4
375N38.1Very low36.9Very low134 Ų134142.2 Ų142.272%0.71779%0.787SS**  trans62.989.3147.8-58.6-2.2000123.3
376E33.4Very low37.1Very low178 Ų178140.4 Ų140.483%0.83278%0.783SS**  24.4148117.2-54.4-168.2141.500124.7
377S37.6Very low37.7Very low112 Ų112134.4 Ų134.478%0.78377%0.774SS**  trans76.7150.8146.777.10000119.9
378S33.9Very low37.5Very low97 Ų97133.5 Ų133.568%0.67877%0.774SS**  cis-171.7147.7-26.254.30000111.7
379S33.2Very low37.5Very low111 Ų111130.9 Ų130.978%0.77678%0.775SS**  trans59.5168.4165.963.50000116.2
380I38.6Very low37.2Very low157 Ų157129.9 Ų129.981%0.80577%0.773SS**  cis-137.6169.124.6-66.7172.2000111.3
381S35.8Very low37.1Very low104 Ų104130.8 Ų130.873%0.72777%0.771SS**  trans-110.7-153.3-173.2-44.70000112.7
382P44.9Very low36.8Very low114 Ų114133.6 Ų133.674%0.7478%0.775SS**  -128.5-151.5-70.835.4-15.9000113.9
383T35.9Very low36.5Very low125 Ų125131.9 Ų131.977%0.76777%0.766SS**  trans89.3138.4171.7750000115.4
384F36.1Very low36.1Very low200 Ų200131 Ų13188%0.87776%0.763SS**  cis-141.2-174.745.8-130.2-105.8000115.4
385F37.4Very low35.6Very low199 Ų199131.5 Ų131.587%0.87376%0.763SS**  trans-120.4171-175.8-90.9-67.8000113.6
386P43.1Very low35.1Very low108 Ų108132 Ų13270%0.70177%0.765SS**  trans-103.6-163.2-172.745.6-40000113.4
387P43.5Very low34.8Very low106 Ų106128 Ų12869%0.68876%0.763SS**  -162.3167.87942.3-19.2000121.2
388T33.7Very low34.4Very low127 Ų127126.4 Ų126.478%0.77977%0.765SS**  trans69150.2144.144.50000125.8
389S36.1Very low34Very low115 Ų115133.3 Ų133.380%0.80478%0.776SS**  trans77.3152.2160.181.30000118.6
390S30.5Very low33.8Very low96 Ų96133.7 Ų133.767%0.67177%0.773SS**  cis-168.3177.6-29.1570000110.9
391I34Very low33.1Very low157 Ų157133.1 Ų133.181%0.80577%0.772SS**  trans87.3148164.4-59.4160.7000117.8
392T30.5Very low32.7Very low125 Ų125138.8 Ų138.877%0.76778%0.778SS**  trans-107.8-175.4-172.151.20000110.7
393P33.9Very low31.6Very low112 Ų112142.8 Ų142.873%0.72778%0.784SS**  cis-139-174.39.844-24.2000117.3
394S28.4Very low31.2Very low97 Ų97142.1 Ų142.168%0.67878%0.78SS**  trans-11.9140.6164.757.90000120.6
395F30Very low30.7Very low187 Ų187138.2 Ų138.282%0.8277%0.774SS**  -162110.8120.3-123.6-89000113.9
396N27.3Very low30Very low144 Ų144132.3 Ų132.377%0.7777%0.769SS**  trans52.1162.8136.9-144.71.1000124.1
397A26.6Very low29.2Very low94 Ų94135.3 Ų135.378%0.77778%0.778SS**  trans69.6110.5162.800000119.6
398G30Very low28.3Very low80 Ų80135.7 Ų135.783%0.82578%0.778SS**  trans-168.162.7173.500000113.8T400G398-T400 PolarHBondContact O-N 3.13Å
399R23.9Very low27.9Very low242 Ų242133.5 Ų133.591%0.91378%0.781SS**  trans-66.5127.7176.4-77.2-178.7174.1176.8-1.9111.3
400T30Very low27.3Very low118 Ų118136.3 Ų136.372%0.72478%0.781SS**  trans-134.4127142.9470000110G398G398-T400 PolarHBondContact O-N 3.13Å
401N23.9Very low27.1Very low146 Ų146137.4 Ų137.478%0.78179%0.788SS**  trans-85139.2168.4-77-18000108.6
402W26.3Very low26.7Very low222 Ų222137.1 Ų137.184%0.84179%0.788SS**  trans-124.190.8158.9-75.9104.9000109.6V404W402-V404 HydrophobicContact CE3-CG2 4.29Å
403F22.7Very low26.5Very low198 Ų198142.1 Ų142.187%0.86879%0.794SS**  trans-129.594.7177.7-157-66.4000106.8
404V26.4Very low26.1Very low112 Ų112142.3 Ų142.368%0.67979%0.789SS**  trans-135.2136.1-178.3-176.30000109.1W402W402-V404 HydrophobicContact CE3-CG2 4.29Å
405P26.2Very low26.2Very low118 Ų118143.5 Ų143.577%0.76679%0.794SS**  trans-80.7168.3-175.5-8.827.6000113.1
406G23.2Very low26.1Very low75 Ų75138.6 Ų138.677%0.77378%0.783SS**  trans-79.3162.9174.700000113.8
407I25.8Very low26.1Very low171 Ų171140.8 Ų140.888%0.87779%0.789SS**  trans-140.5156.9169.4-106165.1000110.9
408V24.2Very low26.2Very low114 Ų114143.9 Ų143.969%0.69179%0.791SS**  trans-38.2132.6179.9-179.50000115.3Q410V408-Q410 HydrophobicContact CG1-CB 4.43Å; V408-Q410 HydrophobicContact CG1-CG 3.77Å
409G26Very low26Very low81 Ų81143.5 Ų143.584%0.83579%0.787SS**  trans-12583.8158.800000110.5
410Q23.7Very low26.3Very low174 Ų174139.5 Ų139.581%0.81378%0.783SS**  trans-72.4128.9169.5-74.8-179.57.600109.3V408V408-Q410 HydrophobicContact CG1-CB 4.43Å; V408-Q410 HydrophobicContact CG1-CG 3.77Å
411S26.5Very low26.3Very low118 Ų118139 Ų13983%0.82578%0.782SS**  trans-142.2118.9156.1-168.20000108.2
412L24.2Very low26.5Very low152 Ų152137 Ų13780%0.79679%0.785SS**  trans-77.7128.8-177.5-63.3131.3000109
413Y27Very low26.8Very low230 Ų230133.8 Ų133.890%0.90278%0.784SS**  trans-155.3114.8139.6-114.4-71.8000111
414N26.6Very low27.2Very low116 Ų116129.8 Ų129.862%0.6278%0.778SS**  trans-119.1126.4173.1175.230.2000107.2S416N414-S416 VanDerWaalsContact OD1-CB 3.3Å; N414-S416 WeakPolarHBondContact OD1-CB 3.37Å; N414-S416 PolarHBondContact OD1-N 3.28Å; N414-S416 PolarHBondContact OD1-OG 3.28Å
415P30.1Very low27.3Very low121 Ų121131 Ų13179%0.78679%0.786SS**  trans-120.443.8161.737.6-27.3000111.9
416S26.7Very low27.7Very low84 Ų84132.7 Ų132.759%0.58779%0.788SS**  trans-67.6130.7146.3-46.60000107.3N414N414-S416 VanDerWaalsContact OD1-CB 3.3Å; N414-S416 WeakPolarHBondContact OD1-CB 3.37Å; N414-S416 PolarHBondContact OD1-N 3.28Å; N414-S416 PolarHBondContact OD1-OG 3.28Å
417Q27.2Very low28.2Very low190 Ų190133.7 Ų133.789%0.88878%0.781SS**  trans69.583.1-177.1-52.6179.7-11.200116.7
418I30.5Very low28.8Very low159 Ų159134.2 Ų134.282%0.81578%0.78SS**  -131.3124.1121-61.6-174.5000106.6
419G25.2Very low29.3Very low73 Ų73137.2 Ų137.275%0.75379%0.791SS**  trans-92.1132.4171.200000110.4
420L30.8Very low29.8Very low157 Ų157141.8 Ų141.882%0.82279%0.79SS**  trans-128143162-76.5173.3000108.3
421P29.5Very low30.2Very low108 Ų108139.4 Ų139.470%0.70179%0.79SS**  trans-74149.7-167.529.8-35.8000112.3
422A27.6Very low30.7Very low103 Ų103141.5 Ų141.585%0.85179%0.79SS**  trans-65.6132.516200000109.4
423L32.4Very low31.2Very low155 Ų155140 Ų14081%0.81279%0.79SS**  trans-107.3143.3164.8-81.5168.1000109.1
424P30.6Very low31.4Very low114 Ų114135 Ų13574%0.7478%0.783SS**  trans-79.5156.5-161.731.3-36.5000113.7
425T29.5Very low31.9Very low138 Ų138136.1 Ų136.185%0.84779%0.794SS**  trans-57.3136162.748.50000111.3
426N35.3Very low31.9Very low153 Ų153136 Ų13682%0.81879%0.792SS**  trans-139.9111.9161.4-164.217.9000110.4
427P33.3Very low32.3Very low96 Ų96139.1 Ų139.162%0.62381%0.807SS**  trans-83157172.534.1-32.4000111.5
428H37.7Very low32.5Very low183 Ų183135.3 Ų135.385%0.84780%0.801SS**  trans105.2108.4178.4-66.2-76000115.8
429L35.6Very low32.7Very low176 Ų176134.8 Ų134.892%0.92181%0.806SS**  -168.1168.8107.9-97.5162.6000110.1
430Q37Very low33.1Very low177 Ų177137.5 Ų137.583%0.82781%0.808SS**  trans-105161.6-160.9-79.4-177.3-14.100114.6
431P30.2Very low33.4Very low125 Ų125134.4 Ų134.481%0.81280%0.799SS**  trans-86.3163-173.435.4-37.2000114.3
432I38.8Very low33.6Very low162 Ų162135.6 Ų135.683%0.83180%0.8SS**  trans-131.7144.4174.5-60.4-179.9000109.2
433P34.1Very low34.1Very low120 Ų120137 Ų13778%0.77979%0.793SS**  trans-102.8176-157.9122.3000117.4
434V31.9Very low34.1Very low124 Ų124137 Ų13775%0.75279%0.794SS**  trans-44.5148.6177.4-154.30000116.7T436V434-T436 HydrophobicContact CG1-CG2 3.97Å
435T36.4Very low34.6Very low141 Ų141136.7 Ų136.787%0.86579%0.792SS**  trans-132.7137.8146.9-36.80000110.2
436T29.2Very low34.5Very low119 Ų119139.4 Ų139.473%0.7380%0.795SS**  trans-118.5141.8179.550.50000111.8V434V434-T436 HydrophobicContact CG1-CG2 3.97Å
437T35.6Very low34.3Very low148 Ų148137.5 Ų137.591%0.90879%0.793SS**  trans-133.4149.5160.847.30000110.3
438S31.5Very low33.9Very low110 Ų110141 Ų14177%0.76980%0.804SS**  trans-139.3142.5-165.4570000112.1
439T35.4Very low33.4Very low148 Ų148140.9 Ų140.991%0.90881%0.806SS**  trans-153.5135.3152.98.20000113
440T32.6Very low32.8Very low130 Ų130140.6 Ų140.680%0.79880%0.801SS**  trans-60.8165.517152.50000112.4
441S37.1Very low32.4Very low92 Ų92139.2 Ų139.264%0.64381%0.805SS**  cis-174.5164.440.559.70000113.2
442N34.6Very low32.2Very low134 Ų134139.7 Ų139.772%0.71781%0.806SS**  trans50.3150.5138.5-628.2000121.8
443N36.6Very low31.7Very low131 Ų131135.8 Ų135.870%0.70181%0.805SS**  cis-164.6143.7-4.3-109.9-6.8000113.1
444N33.5Very low31.4Very low157 Ų157136.7 Ų136.784%0.8480%0.803SS**  trans57163.3149.9-87.74.9000125.1
445P40Very low31.1Very low107 Ų107137.9 Ų137.970%0.69580%0.801SS**  trans-128.5-152.3-164.845.5-28.1000115.4
446Q28.9Very low30.7Very low194 Ų194139.6 Ų139.691%0.90780%0.796SS**  trans96.9150.5-175.8-57.2-177.4-2600113.7
447S30.5Very low30.5Very low113 Ų113138.6 Ų138.679%0.7979%0.794SS**  cis-148.9-168.312.380.20000114.7
448M25.4Very low30.1Very low171 Ų171139.6 Ų139.684%0.84279%0.794SS**  trans-46.8170171.6-90.2172.5165.300116.1
449M26.2Very low29.8Very low180 Ų180141.8 Ų141.889%0.88780%0.796SS**  cis-163.6178.547.2-147.3171.4-15900114.1
450M23.4Very low29.2Very low169 Ų169137.7 Ų137.783%0.83378%0.784SS**  trans-109.4153.5-178.1-53.1-161.7-53.600114.5
451V28.8Very low28.9Very low149 Ų149141.5 Ų141.590%0.90378%0.784SS**  trans-143.7152.4152.4179.50000110.4
452T26.2Very low28.3Very low135 Ų135146.1 Ų146.183%0.82879%0.792SS**  trans-97.4157.5-172.253.10000115.3
453G28.3Very low27.9Very low79 Ų79150 Ų15081%0.81480%0.798SS**  trans-171.191.4171.200000118.3
454N27.6Very low27.4Very low139 Ų139148.8 Ų148.874%0.74380%0.796SS**  trans-2.8137.8164.8-89.6-32000123.6
455Q26.5Very low27.1Very low149 Ų149152 Ų15270%0.69680%0.803SS**  trans47.9130.5131.5-59.2-177.534.200119.9
456K26.5Very low26.4Very low177 Ų177150.8 Ų150.877%0.7780%0.796SS**  cis-168.8144.449.2-132.1160.8-166.6174.70113.1
457S26.2Very low26.3Very low98 Ų98149.5 Ų149.569%0.68580%0.796SS**  trans28.1104.4151.559.50000121.5
458N27.1Very low26.1Very low170 Ų170152.8 Ų152.891%0.90980%0.798SS**  -161.3105.4129.9-114.9-30.1000111.3G460N458-G460 PolarHBondContact O-N 3.47Å; N458-G460 VanDerWaalsContact O-N 3.15Å
459L25.5Very low26.1Very low155 Ų155151 Ų15181%0.81279%0.79SS**  trans-87.181-171.5-92153.9000112.4W461L459-W461 HydrophobicContact CD2-CZ2 4.46Å
460G22.8Very low26Very low63 Ų63148.8 Ų148.865%0.64978%0.78SS**  trans-117.397.3168.500000111.5N458 K462N458-G460 PolarHBondContact O-N 3.47Å; N458-G460 VanDerWaalsContact O-N 3.15Å; G460-K462 PolarHBondContact O-N 3.19Å
461W26Very low26.2Very low209 Ų209147.1 Ų147.179%0.79277%0.773SS**  trans-68.491-179.6-72.7106000112.3L459L459-W461 HydrophobicContact CD2-CZ2 4.46Å
462K23.3Very low26.1Very low190 Ų190145.5 Ų145.583%0.82676%0.764SS**  trans-82.1110.2163-71.7179.1178.31750109.1G460 T464G460-K462 PolarHBondContact O-N 3.19Å; K462-T464 PolarHBondContact O-N 3.08Å; K462-T464 VanDerWaalsContact O-N 3.13Å
463Y26.5Very low26.2Very low214 Ų214143.6 Ų143.684%0.83976%0.756SS**  trans-66.1109.3163.3-95.3-87.8000109.4
464T27.2Very low26.3Very low107 Ų107145.5 Ų145.566%0.65675%0.752SS**  trans-69.9144.817445.70000110.9K462 S466K462-T464 PolarHBondContact O-N 3.08Å; K462-T464 VanDerWaalsContact O-N 3.13Å; T464-S466 PolarHBondContact O-N 2.76Å; T464-S466 PolarHBondContact OG1-OG 3.28Å
465K25.7Very low26.3Very low225 Ų225145.4 Ų145.498%0.97875%0.752SS**SBendtrans-74.671.8173.1-74-174.8176-179.90110.7
466S26.1Very low26.8Very low80 Ų80145.8 Ų145.856%0.55976%0.758SS**  trans-150.174.2-178.457.10000111.6T464T464-S466 PolarHBondContact O-N 2.76Å; T464-S466 PolarHBondContact OG1-OG 3.28Å
467N26.9Very low26.9Very low168 Ų168144.2 Ų144.290%0.89876%0.758SS**  trans-151.380.5154.6-108-5.3000108.3M469N467-M469 PolarHBondContact O-N 3.14Å
468Q25.4Very low27.2Very low181 Ų181146.8 Ų146.885%0.84676%0.764SS**  trans-70.6107.8161.9-75.5177.3-23.700107I470Q468-I470 PolarHBondContact O-N 2.88Å; Q468-I470 VanDerWaalsContact O-N 3.08Å
469M25.7Very low27.4Very low133 Ų133144 Ų14466%0.65576%0.759SS**  trans-72.5102.2166.5-156.1-168.9-5800106.8N467 I471N467-M469 PolarHBondContact O-N 3.14Å; M469-I471 PolarHBondContact O-N 3.13Å; M469-I471 VanDerWaalsContact O-N 3.08Å
470I24.8Very low27.5Very low135 Ų135143.4 Ų143.469%0.69276%0.755SS**  trans-70.4105.7179.4-58.7177.9000107.5Q468 T472Q468-I470 PolarHBondContact O-N 2.88Å; Q468-I470 VanDerWaalsContact O-N 3.08Å; I470-T472 HydrophobicContact CG2-CG2 4.07Å; I470-T472 PolarHBondContact O-N 3.46Å
471I28.1Very low28.1Very low134 Ų134146.1 Ų146.169%0.68776%0.761SS**  trans-74.892.5176.9-54.9178.8000108.1M469 S473M469-I471 PolarHBondContact O-N 3.13Å; M469-I471 VanDerWaalsContact O-N 3.08Å; I471-S473 PolarHBondContact O-N 3.3Å
472T26.8Very low28.1Very low115 Ų115145.4 Ų145.471%0.70676%0.759SS**  trans-76.785.5177.939.80000111.4I470 T474I470-T472 HydrophobicContact CG2-CG2 4.07Å; I470-T472 PolarHBondContact O-N 3.46Å; T472-T474 PolarHBondContact O-N 3.15Å; T472-T474 VanDerWaalsContact O-N 3.13Å
473S26.6Very low28.6Very low94 Ų94146 Ų14666%0.65776%0.762SS**  trans-61.6109.8165.9-177.30000110.1I471 N475I471-S473 PolarHBondContact O-N 3.3Å; S473-N475 PolarHBondContact O-N 2.91Å; S473-N475 VanDerWaalsContact O-N 3.14Å
474T31.8Very low29.1Very low120 Ų120140.8 Ų140.874%0.73675%0.754SS**  trans-80.191.4173.853.40000110.2T472 N476T472-T474 PolarHBondContact O-N 3.15Å; T472-T474 VanDerWaalsContact O-N 3.13Å; T474-N476 PolarHBondContact O-N 3.39Å
475N27.7Very low29.4Very low137 Ų137143.7 Ų143.773%0.73377%0.766SS**  trans-67.592.8169.4-82.46.9000110.4S473S473-N475 PolarHBondContact O-N 2.91Å; S473-N475 VanDerWaalsContact O-N 3.14Å
476N35.4Very low29.9Very low157 Ų157138.5 Ų138.584%0.8476%0.755SS**  trans-92.9105.2162.2-90.79.8000109.4T474 N478T474-N476 PolarHBondContact O-N 3.39Å; N476-N478 PolarHBondContact O-N 3.48Å
477N28.7Very low30.3Very low143 Ų143142.2 Ų142.277%0.76577%0.769SS**  trans-66.6125.4162.8-68.7-24000109.1
478N33.5Very low30.8Very low152 Ų152138.9 Ų138.981%0.81376%0.759SS**  178.5148128.6-91.4-17.3000113.3N476N476-N478 PolarHBondContact O-N 3.48Å
479S31.2Very low31.3Very low113 Ų113137.8 Ų137.879%0.7976%0.758SS**  trans61.896.8154.8-54.10000119.5
480I27.6Very low31.8Very low142 Ų142138.2 Ų138.273%0.72876%0.764SS**  trans-94.9141.8158.5-65.8167.4000109Y482I480-Y482 HydrophobicContact CG2-CD2 3.93Å; I480-Y482 HydrophobicContact CG2-CE2 4.47Å
481P34Very low32.4Very low120 Ų120138 Ų13878%0.77976%0.764SS**  trans-108.1136.4141.1-11.430000112.2
482Y27.8Very low32.9Very low194 Ų194138.1 Ų138.176%0.76177%0.766SS**  trans-82.3152.1175.4-104.3-107.4000111.8I480I480-Y482 HydrophobicContact CG2-CD2 3.93Å; I480-Y482 HydrophobicContact CG2-CE2 4.47Å
483F33.8Very low33.5Very low202 Ų202138.6 Ų138.689%0.88676%0.764SS**  trans-139129.7143.2-89.2-76.4000109.5
484P36.8Very low34.1Very low104 Ų104140.2 Ų140.268%0.67577%0.765SS**PPolyproline II helixtrans-94.1156.5-174.236.5-35.1000113.5
485N32.1Very low34.4Very low168 Ų168140.5 Ų140.590%0.89876%0.762SS**PPolyproline II helixtrans-91.2127.8166.1-119.824.5000109.6
486P36.1Very low35Very low116 Ų116140.4 Ų140.475%0.75376%0.761SS**PPolyproline II helixtrans-94.2149.7169.236.2-31.6000111.6
487D35.2Very low35.2Very low159 Ų159138.9 Ų138.985%0.8575%0.752SS**  trans-157.7156.2162.3-140-28.1000112.2
488S37.4Very low35.7Very low97 Ų97139 Ų13968%0.67875%0.753SS**  trans66.7119.6177.272.80000119.9
489N35.7Very low35.9Very low158 Ų158135 Ų13585%0.84575%0.748SS**  trans44138.1138.3-56.8-16.8000120.8
490N36.8Very low36.2Very low143 Ų143139.7 Ų139.777%0.76575%0.75SS**  cis-158170.246.4-159.71.9000113.8
491N37.3Very low36.8Very low130 Ų130139.7 Ų139.770%0.69575%0.751SS**  trans-64142.5-174-51.7-58.5000114.9
492N38.3Very low36.9Very low136 Ų136137.8 Ų137.873%0.72774%0.74SS**  168.1138.4101-91.8-33.1000115.2
493N38.7Very low37.5Very low125 Ų125135.1 Ų135.167%0.66874%0.739SS**  trans68.6116.7139.4-64.9-2.7000123.3
494N39.5Very low37.7Very low128 Ų128132.1 Ų132.168%0.68473%0.733SS**  95.3109.6128.4-63.32.6000121.7
495N38.5Very low37.9Very low126 Ų126132.1 Ų132.167%0.67473%0.731SS**  97.6110.8122.3-71.26.9000122.7
496I41Very low38.2Very low136 Ų136131.2 Ų131.270%0.69773%0.726SS**  94.4116117.9-70.5172.5000120.3
497D39.3Very low38.4Very low124 Ų124131.7 Ų131.766%0.66373%0.727SS**  trans72106.3140.3-71.530.4000126.4
498N38.7Very low38.6Very low146 Ų146129.4 Ų129.478%0.78172%0.719SS**  70.3125109.3-63.6-33.8000124.4
499G37.3Very low38.6Very low68 Ų68131.2 Ų131.270%0.70172%0.721SS**  trans107.1155144.800000117.3
500Y39Very low38.9Very low212 Ų212131.5 Ų131.583%0.83172%0.722SS**  cis-169.8146.3-17.5-129-71.4000109.5
501N38.7Very low38.9Very low141 Ų141129.9 Ų129.975%0.75472%0.717SS**  trans61.3175.3164.3-73.9-8.2000119.9
502S37.4Very low39.1Very low80 Ų80132.1 Ų132.156%0.55973%0.729SS**  177.2159.5-65.556.40000112.4
503N39.2Very low39Very low138 Ų138133.5 Ų133.574%0.73873%0.731SS**  trans94.3157.6157.4-59.6-7.4000121.9
504D39.2Very low39Very low140 Ų140132.8 Ų132.875%0.74974%0.736SS**  trans73.9144.2156.7-59.5-18.1000121.8
505T39.9Very low39Very low104 Ų104133.6 Ų133.664%0.63874%0.74SS**  cis-163.9148.2-46.113.80000112.2
506N38.8Very low39Very low149 Ų149134.9 Ų134.980%0.79775%0.746SS**  trans63.3160.7145.3-65.3-27.7000124.5
507V40.7Very low38.9Very low126 Ų126134.6 Ų134.676%0.76475%0.75SS**  trans120.474.9147.5-168.90000118.6
508T39Very low38.8Very low111 Ų111132 Ų13268%0.68175%0.753SS**  50.913412964.30000125.8
509N38.7Very low38.8Very low135 Ų135133.4 Ų133.472%0.72276%0.76SS**  trans71.4119.4134.9-61.5-2.1000122.4
510N40.8Very low38.9Very low163 Ų163138.2 Ų138.287%0.87276%0.764SS**  -163168.292.2-108.6-33.7000114.3
511T36.7Very low38.8Very low109 Ų109135.9 Ų135.967%0.66977%0.765SS**  trans-114.6151.7-159.4-51.20000113.8Q513T511-Q513 HydrophobicContact CG2-CG 4.2Å
512L41.4Very low38.9Very low178 Ų178133.3 Ų133.393%0.93276%0.756SS**  trans-156.8153.4143-109.2168.9000111
513Q35.8Very low38.7Very low165 Ų165136.8 Ų136.877%0.77177%0.768SS**  trans-131.9138.6-166.6-61.5174-60.600114.2T511T511-Q513 HydrophobicContact CG2-CG 4.2Å
514S40.1Very low39Very low110 Ų110142 Ų14277%0.76979%0.793SS**  trans-173.6126.6141.746.20000108.7
515N38.3Very low39Very low144 Ų144142.1 Ų142.177%0.7780%0.796SS**  63.1121.963.5-67.9-10.7000111.6
516L38.6Very low39Very low153 Ų153144.1 Ų144.180%0.80180%0.804SS**  cis-148.5171.522.1-94.2124.6000114.8
517T39.6Very low39Very low130 Ų130143.8 Ų143.880%0.79880%0.804SS**  trans-18.5154.1160.754.50000119.6
518G36.5Very low38.9Very low70 Ų70144.9 Ų144.972%0.72281%0.807SS**  cis161.9-153.15.300000113.3
519L39.6Very low38.9Very low176 Ų176147 Ų14792%0.92181%0.814SS**  trans71.568.5171.4-60.6178.6000119.6
520H39.9Very low38.9Very low168 Ų168147.8 Ų147.878%0.77882%0.821SS**  -9.6131.6126.4-168.333.7000118.3
521L36.4Very low38.8Very low164 Ų164146.7 Ų146.786%0.85982%0.817SS**  trans-172.8145.9133.3-101.8171.9000111.1
522P39.8Very low38.9Very low86 Ų86149.6 Ų149.656%0.55883%0.828SS**  trans-113.5170.3-177.941.2-32.9000115.4
523N33.3Very low38.7Very low154 Ų154147.3 Ų147.382%0.82482%0.82SS**  trans58.2102.9157.8-61.4-6.9000120
524I46.8Very low39Very low247 Ų247145.6 Ų145.6100%1.26782%0.824SS**  -132.40126-61.9-173000107.4

Retrieved 524 of 524 residues in 612.9 ms (Link to these results)

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