A0A077ZK20_TRITR Loading...

Fibroblast growth factor

AlphaFold DB , UniProt , Accession A0A077ZK20, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 185 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
1M30.7Very low69.7Low138 Ų13859.9 Ų59.968%0.6833%0.334SS*.  0110.70-71.5-154.1-92.500108.5Y18M1-Y18 HydrophobicContact CE-CE1 4.45Å; M1-Y18 WeakPolarHBondContact CE-OH 3.18Å
2S38.9Very low70.8Confident46 Ų4656 Ų5632%0.32232%0.317SS..EExtended strand (participates in β ladder)trans-101.8133175.2-173.80000108.4A178S2-A178 PolarHBondContact OG-N 2.77Å
3V54.4Low71.3Confident63 Ų6358.8 Ų58.838%0.38232%0.324SS..EExtended strand (participates in β ladder)trans-100.5-34.2-168.4-177.40000112.3L7 I38V3-L7 HydrophobicContact CB-CB 4.04Å; V3-L7 HydrophobicContact CG1-CD1 4.2Å; V3-I38 HydrophobicContact CB-CG2 4.46Å; V3-I38 HydrophobicContact CG1-CD1 4.17Å; V3-I38 HydrophobicContact CG1-CG2 4.34Å; V3-I38 HydrophobicContact CG2-CG1 4.48Å; V3-I38 HydrophobicContact CG2-CG2 4.49Å
4A56.7Low71.7Confident52 Ų5262.8 Ų62.843%0.4334%0.339SS..EExtended strand (participates in β ladder)trans-176.8176.7171.500000109.1G6 L7A4-G6 PolarHBondContact O-N 3.31Å; A4-G6 VanDerWaalsContact O-N 3.13Å; A4-L7 HydrophobicContact CB-CB 4.33Å; A4-L7 HydrophobicContact CB-CD1 3.8Å; A4-L7 HydrophobicContact CB-CG 4.02Å; A4-L7 PolarHBondContact O-N 3.26Å
5F68.3Low72.3Confident188 Ų18861.3 Ų61.383%0.82534%0.335SS*.THydrogen-bonded Turntrans-53120.8175.5-76.3-78.8000111.9L7F5-L7 PolarHBondContact O-N 3.04Å
6G78.9Confident73Confident35 Ų3563.2 Ų63.236%0.36135%0.345SS..THydrogen-bonded Turntrans72.33.1-178.400000114.8A4 M40 E41A4-G6 PolarHBondContact O-N 3.31Å; A4-G6 VanDerWaalsContact O-N 3.13Å; G6-M40 CarbonylContact O-C 3.4Å; G6-M40 VanDerWaalsContact O-CA 3.25Å; G6-M40 WeakPolarHBondContact O-CA 3.32Å; G6-E41 PolarHBondContact O-N 3.06Å
7L87.9Confident73.8Confident43 Ų4365.4 Ų65.423%0.22535%0.347CS..EExtended strand (participates in β ladder)trans-99129.7172.8-59.3-169.7000110.7V3 A4 F5 I38 F39 M40 C54V3-L7 HydrophobicContact CB-CB 4.04Å; V3-L7 HydrophobicContact CG1-CD1 4.2Å; A4-L7 HydrophobicContact CB-CB 4.33Å; A4-L7 HydrophobicContact CB-CD1 3.8Å; A4-L7 HydrophobicContact CB-CG 4.02Å; A4-L7 PolarHBondContact O-N 3.26Å; F5-L7 PolarHBondContact O-N 3.04Å; L7-I38 HydrophobicContact CB-CG2 4.24Å; L7-I38 HydrophobicContact CD1-CG2 4.36Å; L7-F39 CarbonylContact C-O 3.58Å; L7-F39 WeakPolarHBondContact CA-O 3.49Å; L7-M40 HydrophobicContact CD2-CB 3.8Å; L7-M40 HydrophobicContact CD2-CG 4.12Å; L7-C54 WeakPolarHBondContact CD2-SG 3.23Å
8V88.1Confident74.7Confident4 Ų463.5 Ų63.52%0.02433%0.334CS..EExtended strand (participates in β ladder)trans-130.2150.6-176.7-57.20000110.9F39 E41 Y51V8-F39 HydrophobicContact CG2-CB 4.2Å; V8-F39 WeakPolarHBondContact CG2-O 3.4Å; V8-F39 PolarHBondContact N-O 2.91Å; V8-F39 PolarHBondContact O-N 3.36Å; V8-E41 HydrophobicContact CG1-CB 3.95Å; V8-E41 HydrophobicContact CG2-CB 4.12Å; V8-Y51 HydrophobicContact CG2-CD1 3.68Å; V8-Y51 HydrophobicContact CG2-CE1 3.75Å
9S89.4Confident75.6Confident12 Ų1260.4 Ų60.48%0.08432%0.318CS..EExtended strand (participates in β ladder)trans-119.8136.6163.8-61.30000107.7H33 C37S9-H33 PolarHBondContact OG-NE2 3.03Å; S9-C37 PolarHBondContact OG-O 3.01Å
10I88.4Confident76.4Confident4 Ų457.4 Ų57.42%0.02130%0.302CS..  trans-110.9125.1-175.1-66.2160.1000107.3Y18 L19 F39 Y51 M173I10-Y18 CarbonylContact O-C 3.49Å; I10-Y18 VanDerWaalsContact O-CA 3.28Å; I10-Y18 WeakPolarHBondContact O-CA 3.4Å; I10-L19 HydrophobicContact CB-CB 4.05Å; I10-L19 HydrophobicContact CB-CD2 4.38Å; I10-L19 HydrophobicContact CD1-CD2 3.88Å; I10-L19 HydrophobicContact CG2-CB 4.16Å; I10-L19 HydrophobicContact CG2-CD2 4.45Å; I10-L19 PolarHBondContact O-N 3.32Å; I10-F39 HydrophobicContact CD1-CD2 4.36Å; I10-Y51 HydrophobicContact CD1-CD1 4.34Å; I10-Y51 HydrophobicContact CD1-CE1 4.48Å; I10-Y51 HydrophobicContact CD1-CG 4.44Å; I10-M173 HydrophobicContact CB-SD 4.35Å; I10-M173 HydrophobicContact CD1-CE 4.05Å; I10-M173 HydrophobicContact CD1-SD 3.78Å; I10-M173 HydrophobicContact CG1-CE 4.49Å; I10-M173 HydrophobicContact CG1-SD 4.1Å; I10-M173 HydrophobicContact CG2-CB 4.24Å; I10-M173 HydrophobicContact CG2-CG 3.78Å; I10-M173 HydrophobicContact CG2-SD 3.36Å; I10-M173 WeakPolarHBondContact CG2-SD 3.35Å
11K85.6Confident77.3Confident74 Ų7454.6 Ų54.632%0.32229%0.288SS..BIsolated β-bridgetrans-121.6132.9177.8-165.8-175.8-178.8-1690109.5N16 R17 Y18K11-N16 WeakPolarHBondContact CE-O 3.19Å; K11-N16 WeakPolarHBondContact CE-OD1 3.18Å; K11-N16 PolarHBondContact NZ-OD1 2.88Å; K11-N16 VanDerWaalsContact NZ-OD1 3.1Å; K11-R17 WeakPolarHBondContact CA-O 3.4Å; K11-Y18 HydrophobicContact CB-CD1 3.9Å; K11-Y18 HydrophobicContact CB-CE1 3.93Å; K11-Y18 HydrophobicContact CD-CD1 4.48Å; K11-Y18 HydrophobicContact CD-CE1 3.9Å; K11-Y18 HydrophobicContact CD-CE2 4.37Å; K11-Y18 HydrophobicContact CG-CD1 4.09Å; K11-Y18 HydrophobicContact CG-CE1 4.01Å; K11-Y18 HydrophobicContact CG-CG 4.46Å
12G82Confident80.3Confident13 Ų1349.7 Ų49.713%0.13426%0.264CS..  trans-72.4138.8171.200000111N16 R17 E171G12-N16 VanDerWaalsContact O-CA 3.29Å; G12-N16 WeakPolarHBondContact O-CA 3.5Å; G12-N16 PolarHBondContact O-N 2.88Å; G12-N16 VanDerWaalsContact O-N 3.13Å; G12-R17 PolarHBondContact N-O 3.21Å; G12-E171 WeakPolarHBondContact CA-OE2 3.49Å
13K77.6Confident83Confident92 Ų9252.2 Ų52.240%0.427%0.274SS..THydrogen-bonded Turntrans-73.4-47.1-176.3-172178.8-170.31640110.9D95 E171 Y174K13-D95 IonicContact NZ-OD1 2.59Å; K13-D95 PolarHBondContact NZ-OD1 3.25Å; K13-E171 PolarHBondContact N-OE2 3.26Å; K13-E171 VanDerWaalsContact N-OE2 3.08Å; K13-Y174 HydrophobicContact CD-CE2 4.06Å; K13-Y174 PolarHBondContact NZ-OH 3.03Å; K13-Y174 VanDerWaalsContact NZ-OH 3.15Å
14E77.3Confident84.9Confident115 Ų11556.7 Ų56.754%0.53728%0.284SS..THydrogen-bonded Turntrans-79.9-48.1-176.7-46.2175.9173.300110.5N16 E171E14-N16 VanDerWaalsContact C-N 3.28Å; E14-N16 PolarHBondContact O-N 2.73Å; E14-E171 WeakPolarHBondContact CA-OE1 3.29Å; E14-E171 WeakPolarHBondContact CB-OE1 3.36Å; E14-E171 HydrophobicContact CG-CG 3.92Å; E14-E171 WeakPolarHBondContact CG-OE1 3.07Å; E14-E171 PolarHBondContact N-OE1 3.13Å; E14-E171 VanDerWaalsContact N-OE1 3.1Å
15S80.3Confident86.7Confident40 Ų4054.2 Ų54.228%0.2826%0.263SS..THydrogen-bonded Turntrans-72.9-17.4-178.765.30000114.8R17 E171S15-R17 PolarHBondContact O-N 3.27Å; S15-E171 PolarHBondContact N-OE1 2.72Å
16N84.2Confident87.9Confident92 Ų9250.7 Ų50.749%0.49225%0.245SC..  trans53.821.1-172.7-87.5-58.9000115.2K11 G12 E14K11-N16 WeakPolarHBondContact CE-O 3.19Å; K11-N16 WeakPolarHBondContact CE-OD1 3.18Å; K11-N16 PolarHBondContact NZ-OD1 2.88Å; K11-N16 VanDerWaalsContact NZ-OD1 3.1Å; G12-N16 VanDerWaalsContact O-CA 3.29Å; G12-N16 WeakPolarHBondContact O-CA 3.5Å; G12-N16 PolarHBondContact O-N 2.88Å; G12-N16 VanDerWaalsContact O-N 3.13Å; E14-N16 VanDerWaalsContact C-N 3.28Å; E14-N16 PolarHBondContact O-N 2.73Å
17R86.2Confident88.6Confident100 Ų10049.8 Ų49.838%0.37723%0.232SC..PPolyproline II helixtrans-100.5140.8179.7-69.7171.4-171-88.3-3111.5K11 G12 S15 S30 I31K11-R17 WeakPolarHBondContact CA-O 3.4Å; G12-R17 PolarHBondContact N-O 3.21Å; S15-R17 PolarHBondContact O-N 3.27Å; R17-S30 CarbonylContact C-O 3.59Å; R17-S30 WeakPolarHBondContact CA-O 3.47Å; R17-I31 HydrophobicContact CG-CG1 4.13Å
18Y89.1Confident88.8Confident32 Ų3251 Ų5113%0.12523%0.234CC..EExtended strand (participates in β ladder)trans-76.1137168.4-62.7-82.1000110.6M1 I10 K11 C20 G29 S30 I31 H33M1-Y18 HydrophobicContact CE-CE1 4.45Å; M1-Y18 WeakPolarHBondContact CE-OH 3.18Å; I10-Y18 CarbonylContact O-C 3.49Å; I10-Y18 VanDerWaalsContact O-CA 3.28Å; I10-Y18 WeakPolarHBondContact O-CA 3.4Å; K11-Y18 HydrophobicContact CB-CD1 3.9Å; K11-Y18 HydrophobicContact CB-CE1 3.93Å; K11-Y18 HydrophobicContact CD-CD1 4.48Å; K11-Y18 HydrophobicContact CD-CE1 3.9Å; K11-Y18 HydrophobicContact CD-CE2 4.37Å; K11-Y18 HydrophobicContact CG-CD1 4.09Å; K11-Y18 HydrophobicContact CG-CE1 4.01Å; K11-Y18 HydrophobicContact CG-CG 4.46Å; Y18-C20 PolarHBondContact O-SG 3.5Å; Y18-C20 VanDerWaalsContact O-SG 3.32Å; Y18-G29 CarbonylContact O-C 3.52Å; Y18-G29 WeakPolarHBondContact O-CA 3.26Å; Y18-S30 PolarHBondContact N-O 3.31Å; Y18-S30 PolarHBondContact O-N 2.76Å; Y18-I31 WeakPolarHBondContact CD2-O 3.26Å; Y18-H33 AromaticContact CD1-CD2 3.79Å; Y18-H33 HydrophobicContact CD2-CB 4.06Å; Y18-H33 HydrophobicContact CE1-CB 4.46Å; Y18-H33 AromaticContact CE1-CD2 3.89Å; Y18-H33 HydrophobicContact CE2-CB 3.82Å; Y18-H33 HydrophobicContact CG-CB 4.48Å
19L91.8Very high88.9Confident4 Ų451.5 Ų51.52%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-68.7129.3165.3176.866.2000108.8I10 L27 C37 F39 V65 F159 F161I10-L19 HydrophobicContact CB-CB 4.05Å; I10-L19 HydrophobicContact CB-CD2 4.38Å; I10-L19 HydrophobicContact CD1-CD2 3.88Å; I10-L19 HydrophobicContact CG2-CB 4.16Å; I10-L19 HydrophobicContact CG2-CD2 4.45Å; I10-L19 PolarHBondContact O-N 3.32Å; L19-L27 HydrophobicContact CD1-CB 4.3Å; L19-L27 HydrophobicContact CD1-CD2 4.33Å; L19-C37 VanDerWaalsContact O-CA 3.29Å; L19-C37 WeakPolarHBondContact O-CA 3.49Å; L19-C37 WeakPolarHBondContact O-CB 3.19Å; L19-F39 HydrophobicContact CB-CE2 4.19Å; L19-F39 HydrophobicContact CD2-CE2 3.86Å; L19-F39 HydrophobicContact CD2-CZ 4.06Å; L19-F39 HydrophobicContact CG-CE2 3.82Å; L19-F39 HydrophobicContact CG-CZ 3.87Å; L19-F39 VanDerWaalsContact O-CE2 3.23Å; L19-F39 WeakPolarHBondContact O-CE2 3.14Å; L19-V65 HydrophobicContact CD2-CG1 4.17Å; L19-V65 HydrophobicContact CD2-CG2 4.29Å; L19-F159 HydrophobicContact CD1-CD1 3.62Å; L19-F159 HydrophobicContact CD1-CD2 4.02Å; L19-F159 HydrophobicContact CD1-CE1 3.43Å; L19-F159 VanDerWaalsContact CD1-CE1 3.43Å; L19-F159 HydrophobicContact CD1-CE2 3.8Å; L19-F159 HydrophobicContact CD1-CG 3.94Å; L19-F159 HydrophobicContact CD1-CZ 3.52Å; L19-F159 HydrophobicContact CD2-CD2 4.45Å; L19-F159 HydrophobicContact CD2-CE1 4.1Å; L19-F159 HydrophobicContact CD2-CE2 3.53Å; L19-F159 HydrophobicContact CD2-CZ 3.32Å; L19-F159 HydrophobicContact CG-CE1 4.4Å; L19-F159 HydrophobicContact CG-CE2 4.16Å; L19-F159 HydrophobicContact CG-CZ 4.02Å; L19-F161 HydrophobicContact CD1-CZ 3.92Å
20C93.2Very high88.9Confident0 Ų051.9 Ų51.90%024%0.242CC..EExtended strand (participates in β ladder)trans-137.6159.2179.5-45.30000110.7Y18 L27 Y28 S30 E36 C37Y18-C20 PolarHBondContact O-SG 3.5Å; Y18-C20 VanDerWaalsContact O-SG 3.32Å; C20-L27 VanDerWaalsContact O-CA 3.31Å; C20-L27 WeakPolarHBondContact O-CA 3.39Å; C20-Y28 HydrophobicContact CB-CD1 4.06Å; C20-Y28 HydrophobicContact CB-CD2 4.44Å; C20-Y28 HydrophobicContact CB-CE1 3.47Å; C20-Y28 VanDerWaalsContact CB-CE1 3.47Å; C20-Y28 HydrophobicContact CB-CE2 3.93Å; C20-Y28 HydrophobicContact CB-CG 4.49Å; C20-Y28 PolarHBondContact N-O 2.93Å; C20-Y28 PolarHBondContact O-N 3.26Å; C20-S30 WeakPolarHBondContact SG-CB 3.39Å; C20-E36 CarbonylContact C-O 3.57Å; C20-E36 WeakPolarHBondContact CA-O 3.11Å; C20-E36 HydrophobicContact CB-CB 4.17Å; C20-C37 HydrophobicContact CB-CB 4Å; C20-C37 WeakPolarHBondContact CB-SG 3.41Å; C20-C37 WeakPolarHBondContact SG-CB 3.43Å; C20-C37 CovalentContact SG-SG 2.04Å; C20-C37 PolarHBondContact SG-SG 3.04Å
21M94.4Very high89Confident0 Ų057.1 Ų57.10%027%0.269CS..EExtended strand (participates in β ladder)trans-129.8121.8177.7-172.8-174.9-63.900110.4R26 L27 E36 F39 Y56 W63 V65M21-R26 WeakPolarHBondContact CA-O 3.48Å; M21-L27 HydrophobicContact CB-CD2 3.91Å; M21-L27 HydrophobicContact CE-CD2 3.56Å; M21-L27 HydrophobicContact CG-CD2 4.07Å; M21-E36 PolarHBondContact N-O 2.64Å; M21-F39 HydrophobicContact CB-CE1 4.01Å; M21-F39 HydrophobicContact CB-CZ 4.38Å; M21-F39 HydrophobicContact CE-CE1 4.27Å; M21-Y56 VanDerWaalsContact O-CD2 3.23Å; M21-Y56 WeakPolarHBondContact O-CD2 3.13Å; M21-Y56 WeakPolarHBondContact O-CE2 3.29Å; M21-W63 HydrophobicContact SD-CB 3.85Å; M21-W63 HydrophobicContact SD-CE3 4Å; M21-V65 HydrophobicContact CE-CG2 4.18Å
22N94.7Very high89.3Confident35 Ų3559.3 Ų59.319%0.18728%0.283CS..  trans-83.5174.9-179.270.816000113.7R24 G25 R26 Y28 E36 Y56N22-R24 PolarHBondContact O-N 3.22Å; N22-R24 WeakPolarHBondContact OD1-CA 3.48Å; N22-R24 WeakPolarHBondContact OD1-CB 3.47Å; N22-R24 PolarHBondContact OD1-N 3.2Å; N22-G25 WeakPolarHBondContact O-CA 3.19Å; N22-G25 PolarHBondContact O-N 2.99Å; N22-G25 PolarHBondContact OD1-N 3.05Å; N22-R26 PolarHBondContact N-O 3.36Å; N22-R26 WeakPolarHBondContact OD1-CB 3.37Å; N22-R26 PolarHBondContact OD1-N 2.82Å; N22-R26 PolarHBondContact OD1-O 3.27Å; N22-Y28 HydrophobicContact CB-CD1 4.21Å; N22-Y28 HydrophobicContact CB-CE1 3.96Å; N22-E36 WeakPolarHBondContact CA-OE2 3.32Å; N22-Y56 WeakPolarHBondContact O-CD2 3.36Å
23N94.9Very high89.7Confident98 Ų9861.8 Ų61.852%0.52429%0.291SS..THydrogen-bonded Turntrans-61.7-10178.669.4-4.3000115.3Y56 W63N23-Y56 HydrophobicContact CB-CD1 4.21Å; N23-Y56 HydrophobicContact CB-CE1 3.56Å; N23-Y56 HydrophobicContact CB-CE2 4.38Å; N23-Y56 VanDerWaalsContact N-CE2 3.32Å; N23-W63 WeakPolarHBondContact O-CH2 3.18Å; N23-W63 WeakPolarHBondContact O-CZ3 3.48Å
24R94.3Very high90.4Very high157 Ų15759.7 Ų59.759%0.59229%0.286SS*.THydrogen-bonded Turntrans-95.9-1172.1-62.1179.4-177.1175.2-0.7112.3N22 R26N22-R24 PolarHBondContact O-N 3.22Å; N22-R24 WeakPolarHBondContact OD1-CA 3.48Å; N22-R24 WeakPolarHBondContact OD1-CB 3.47Å; N22-R24 PolarHBondContact OD1-N 3.2Å; R24-R26 VanDerWaalsContact C-N 3.29Å; R24-R26 HydrophobicContact CB-CG 4.49Å
25G93.6Very high91.1Very high0 Ų057.7 Ų57.70%028%0.281CS..  trans75.514.6-175.300000113.1N22 R75 G76N22-G25 WeakPolarHBondContact O-CA 3.19Å; N22-G25 PolarHBondContact O-N 2.99Å; N22-G25 PolarHBondContact OD1-N 3.05Å; G25-R75 CarbonylContact O-C 3.43Å; G25-R75 WeakPolarHBondContact O-CA 3.23Å; G25-G76 PolarHBondContact O-N 3.12Å
26R94.8Very high91.8Very high115 Ų11557.3 Ų57.343%0.43428%0.275SS..  trans-81.4135.2176-67.6177.9168157.3-4109.1M21 N22 R24M21-R26 WeakPolarHBondContact CA-O 3.48Å; N22-R26 PolarHBondContact N-O 3.36Å; N22-R26 WeakPolarHBondContact OD1-CB 3.37Å; N22-R26 PolarHBondContact OD1-N 2.82Å; N22-R26 PolarHBondContact OD1-O 3.27Å; R24-R26 VanDerWaalsContact C-N 3.29Å; R24-R26 HydrophobicContact CB-CG 4.49Å
27L93.6Very high92.2Very high16 Ų1652.9 Ų52.98%0.08425%0.252CS..EExtended strand (participates in β ladder)trans-81.9133.8172.7-61.3174.1000109L19 C20 M21 V65 P73 F159L19-L27 HydrophobicContact CD1-CB 4.3Å; L19-L27 HydrophobicContact CD1-CD2 4.33Å; C20-L27 VanDerWaalsContact O-CA 3.31Å; C20-L27 WeakPolarHBondContact O-CA 3.39Å; M21-L27 HydrophobicContact CB-CD2 3.91Å; M21-L27 HydrophobicContact CE-CD2 3.56Å; M21-L27 HydrophobicContact CG-CD2 4.07Å; L27-V65 HydrophobicContact CD1-CG1 3.91Å; L27-V65 HydrophobicContact CD2-CG2 4.24Å; L27-P73 HydrophobicContact CB-CB 4.18Å; L27-P73 HydrophobicContact CD1-CB 4.1Å; L27-F159 HydrophobicContact CD1-CE1 3.82Å
28Y92.1Very high92.5Very high69 Ų6949.2 Ų49.227%0.27124%0.239SC..EExtended strand (participates in β ladder)trans-145.2161.8-179.975.9-80.8000110C20 N22 E36 F161C20-Y28 HydrophobicContact CB-CD1 4.06Å; C20-Y28 HydrophobicContact CB-CD2 4.44Å; C20-Y28 HydrophobicContact CB-CE1 3.47Å; C20-Y28 VanDerWaalsContact CB-CE1 3.47Å; C20-Y28 HydrophobicContact CB-CE2 3.93Å; C20-Y28 HydrophobicContact CB-CG 4.49Å; C20-Y28 PolarHBondContact N-O 2.93Å; C20-Y28 PolarHBondContact O-N 3.26Å; N22-Y28 HydrophobicContact CB-CD1 4.21Å; N22-Y28 HydrophobicContact CB-CE1 3.96Å; Y28-E36 WeakPolarHBondContact CE1-OE2 3.23Å; Y28-E36 PolarHBondContact OH-OE2 2.84Å; Y28-F161 VanDerWaalsContact O-CZ 3.29Å; Y28-F161 WeakPolarHBondContact O-CZ 3.47Å
29G89.9Confident92.7Very high14 Ų1447.7 Ų47.714%0.14423%0.233CC..EExtended strand (participates in β ladder)trans-106.3120-177.900000110Y18Y18-G29 CarbonylContact O-C 3.52Å; Y18-G29 WeakPolarHBondContact O-CA 3.26Å
30S89.2Confident92.6Very high19 Ų1950.2 Ų50.213%0.13325%0.246CC..EExtended strand (participates in β ladder)trans-111.8139.8-178.9-171.80000111.2R17 Y18 C20 I32R17-S30 CarbonylContact C-O 3.59Å; R17-S30 WeakPolarHBondContact CA-O 3.47Å; Y18-S30 PolarHBondContact N-O 3.31Å; Y18-S30 PolarHBondContact O-N 2.76Å; C20-S30 WeakPolarHBondContact SG-CB 3.39Å; S30-I32 VanDerWaalsContact C-N 3.35Å; S30-I32 WeakPolarHBondContact CB-O 3.49Å; S30-I32 PolarHBondContact OG-N 2.94Å; S30-I32 PolarHBondContact OG-O 3.27Å
31I89.9Confident92.4Very high114 Ų11451 Ų5159%0.58525%0.25SC*.SBendtrans-73.6-36.6167.9-60.9170.5000109.5R17 Y18R17-I31 HydrophobicContact CG-CG1 4.13Å; Y18-I31 WeakPolarHBondContact CD2-O 3.26Å
32I91.5Very high92.1Very high121 Ų12156.2 Ų56.262%0.62127%0.272SS*.SBendtrans-84.4127.5-178.5-54.9174.5000109.4S30 T34S30-I32 VanDerWaalsContact C-N 3.35Å; S30-I32 WeakPolarHBondContact CB-O 3.49Å; S30-I32 PolarHBondContact OG-N 2.94Å; S30-I32 PolarHBondContact OG-O 3.27Å; I32-T34 HydrophobicContact CB-CG2 4.46Å; I32-T34 HydrophobicContact CG2-CG2 3.9Å; I32-T34 PolarHBondContact O-N 2.83Å
33H90.5Very high91.5Very high64 Ų6455 Ų5530%0.29627%0.265SS..  trans-76.2116.8173.1-175.4-112.8000109.7S9 Y18S9-H33 PolarHBondContact OG-NE2 3.03Å; Y18-H33 AromaticContact CD1-CD2 3.79Å; Y18-H33 HydrophobicContact CD2-CB 4.06Å; Y18-H33 HydrophobicContact CE1-CB 4.46Å; Y18-H33 AromaticContact CE1-CD2 3.89Å; Y18-H33 HydrophobicContact CE2-CB 3.82Å; Y18-H33 HydrophobicContact CG-CB 4.48Å
34T92.4Very high90.8Very high49 Ų4951.5 Ų51.530%0.30125%0.247SC..  trans-130173.2-179.568.40000110.5I32 E36 C37I32-T34 HydrophobicContact CB-CG2 4.46Å; I32-T34 HydrophobicContact CG2-CG2 3.9Å; I32-T34 PolarHBondContact O-N 2.83Å; T34-E36 PolarHBondContact O-N 3.02Å; T34-E36 VanDerWaalsContact O-N 3.12Å; T34-E36 PolarHBondContact OG1-N 3.14Å; T34-C37 WeakPolarHBondContact O-CB 3.44Å; T34-C37 PolarHBondContact O-N 3.2Å; T34-C37 PolarHBondContact OG1-SG 2.94Å; T34-C37 VanDerWaalsContact OG1-SG 3.41Å
35T93.2Very high89.8Confident72 Ų7252.3 Ų52.344%0.44226%0.257SS..G310 helixtrans-61.3-18.7174.757.70000113.8C37 R55T35-C37 PolarHBondContact O-N 3.31Å; T35-R55 PolarHBondContact OG1-NH1 3.03Å
36E94.5Very high88.9Confident32 Ų3255.5 Ų55.515%0.1527%0.274CS..G310 helixtrans-70.7-18172.3-57.5-151.115100113.1C20 M21 N22 Y28 T34 Y56C20-E36 CarbonylContact C-O 3.57Å; C20-E36 WeakPolarHBondContact CA-O 3.11Å; C20-E36 HydrophobicContact CB-CB 4.17Å; M21-E36 PolarHBondContact N-O 2.64Å; N22-E36 WeakPolarHBondContact CA-OE2 3.32Å; Y28-E36 WeakPolarHBondContact CE1-OE2 3.23Å; Y28-E36 PolarHBondContact OH-OE2 2.84Å; T34-E36 PolarHBondContact O-N 3.02Å; T34-E36 VanDerWaalsContact O-N 3.12Å; T34-E36 PolarHBondContact OG1-N 3.14Å; E36-Y56 HydrophobicContact CG-CE2 4.01Å; E36-Y56 VanDerWaalsContact OE1-CE2 3.28Å; E36-Y56 WeakPolarHBondContact OE1-CE2 3.14Å; E36-Y56 VanDerWaalsContact OE1-CZ 3.27Å; E36-Y56 PolarHBondContact OE1-OH 3.43Å
37C93.3Very high87.9Confident0 Ų053.2 Ų53.20%027%0.266CS..G310 helixtrans-98.45.9-175.5-43.60000113.3S9 L19 C20 T34 T35S9-C37 PolarHBondContact OG-O 3.01Å; L19-C37 VanDerWaalsContact O-CA 3.29Å; L19-C37 WeakPolarHBondContact O-CA 3.49Å; L19-C37 WeakPolarHBondContact O-CB 3.19Å; C20-C37 HydrophobicContact CB-CB 4Å; C20-C37 WeakPolarHBondContact CB-SG 3.41Å; C20-C37 WeakPolarHBondContact SG-CB 3.43Å; C20-C37 CovalentContact SG-SG 2.04Å; C20-C37 PolarHBondContact SG-SG 3.04Å; T34-C37 WeakPolarHBondContact O-CB 3.44Å; T34-C37 PolarHBondContact O-N 3.2Å; T34-C37 PolarHBondContact OG1-SG 2.94Å; T34-C37 VanDerWaalsContact OG1-SG 3.41Å; T35-C37 PolarHBondContact O-N 3.31Å
38I92Very high87.1Confident22 Ų2255.4 Ų55.411%0.11327%0.273CS..EExtended strand (participates in β ladder)trans-102.9125.1179.5-54169.7000108.8V3 L7 C54V3-I38 HydrophobicContact CB-CG2 4.46Å; V3-I38 HydrophobicContact CG1-CD1 4.17Å; V3-I38 HydrophobicContact CG1-CG2 4.34Å; V3-I38 HydrophobicContact CG2-CG1 4.48Å; V3-I38 HydrophobicContact CG2-CG2 4.49Å; L7-I38 HydrophobicContact CB-CG2 4.24Å; L7-I38 HydrophobicContact CD1-CG2 4.36Å; I38-C54 HydrophobicContact CG2-CB 4.43Å; I38-C54 PolarHBondContact O-N 2.81Å
39F92.1Very high86.6Confident0 Ų052.1 Ų52.10%026%0.261CS..EExtended strand (participates in β ladder)trans-121.6141178.2-55.3-81.5000110.9L7 V8 I10 L19 M21 E41 Y51 T52 V65L7-F39 CarbonylContact C-O 3.58Å; L7-F39 WeakPolarHBondContact CA-O 3.49Å; V8-F39 HydrophobicContact CG2-CB 4.2Å; V8-F39 WeakPolarHBondContact CG2-O 3.4Å; V8-F39 PolarHBondContact N-O 2.91Å; V8-F39 PolarHBondContact O-N 3.36Å; I10-F39 HydrophobicContact CD1-CD2 4.36Å; L19-F39 HydrophobicContact CB-CE2 4.19Å; L19-F39 HydrophobicContact CD2-CE2 3.86Å; L19-F39 HydrophobicContact CD2-CZ 4.06Å; L19-F39 HydrophobicContact CG-CE2 3.82Å; L19-F39 HydrophobicContact CG-CZ 3.87Å; L19-F39 VanDerWaalsContact O-CE2 3.23Å; L19-F39 WeakPolarHBondContact O-CE2 3.14Å; M21-F39 HydrophobicContact CB-CE1 4.01Å; M21-F39 HydrophobicContact CB-CZ 4.38Å; M21-F39 HydrophobicContact CE-CE1 4.27Å; F39-E41 PolarHBondContact O-N 3.43Å; F39-Y51 HydrophobicContact CB-CD1 4.47Å; F39-T52 CarbonylContact C-O 3.55Å; F39-T52 VanDerWaalsContact CA-O 3.22Å; F39-T52 WeakPolarHBondContact CA-O 3.5Å; F39-V65 HydrophobicContact CD1-CG2 3.63Å; F39-V65 HydrophobicContact CE1-CG2 3.52Å; F39-V65 HydrophobicContact CG-CG2 4.28Å; F39-V65 HydrophobicContact CZ-CG2 4.08Å
40M91.3Very high86.6Confident57 Ų5751.6 Ų51.628%0.28126%0.255SS..EExtended strand (participates in β ladder)trans-82.5115.3166.1-174.4-172.667.300109G6 L7 Y51 T52 C54 K62G6-M40 CarbonylContact O-C 3.4Å; G6-M40 VanDerWaalsContact O-CA 3.25Å; G6-M40 WeakPolarHBondContact O-CA 3.32Å; L7-M40 HydrophobicContact CD2-CB 3.8Å; L7-M40 HydrophobicContact CD2-CG 4.12Å; M40-Y51 WeakPolarHBondContact O-CA 3.42Å; M40-T52 VanDerWaalsContact CE-OG1 3.25Å; M40-T52 WeakPolarHBondContact CE-OG1 3.34Å; M40-T52 PolarHBondContact N-O 3.34Å; M40-T52 PolarHBondContact O-N 2.79Å; M40-T52 PolarHBondContact O-OG1 3.33Å; M40-C54 PolarHBondContact N-SG 2.85Å; M40-C54 VanDerWaalsContact N-SG 3.4Å; M40-K62 HydrophobicContact CE-CD 4.33Å; M40-K62 VanDerWaalsContact CE-NZ 3.33Å
41E88.9Confident86.7Confident18 Ų1850.7 Ų50.78%0.08425%0.248CC..EExtended strand (participates in β ladder)trans-80.1127.9170.5-175.9178.2-132.200110.3G6 V8 F39 N49 T50 Y51 K124G6-E41 PolarHBondContact O-N 3.06Å; V8-E41 HydrophobicContact CG1-CB 3.95Å; V8-E41 HydrophobicContact CG2-CB 4.12Å; F39-E41 PolarHBondContact O-N 3.43Å; E41-N49 HydrophobicContact CG-CB 4.24Å; E41-N49 PolarHBondContact OE1-ND2 2.79Å; E41-T50 CarbonylContact C-O 3.52Å; E41-T50 WeakPolarHBondContact CA-O 3.48Å; E41-Y51 HydrophobicContact CB-CD1 3.87Å; E41-Y51 HydrophobicContact CB-CE1 3.66Å; E41-Y51 HydrophobicContact CG-CD1 4.07Å; E41-Y51 HydrophobicContact CG-CE1 3.47Å; E41-Y51 VanDerWaalsContact CG-CE1 3.47Å; E41-Y51 WeakPolarHBondContact OE1-CE1 3.25Å; E41-Y51 PolarHBondContact OE1-OH 2.79Å; E41-K124 IonicContact OE1-NZ 2.77Å; E41-K124 IonicContact OE2-NZ 3.67Å; E41-K124 PolarHBondContact OE2-NZ 3.37Å
42K86.7Confident86.9Confident109 Ų10945.5 Ų45.547%0.47422%0.222SC..EExtended strand (participates in β ladder)trans-130.4126.4170.3178.4172.8-178.5171.80110.2N49 T50K42-N49 CarbonylContact O-C 3.57Å; K42-N49 WeakPolarHBondContact O-CA 3.36Å; K42-T50 PolarHBondContact N-O 2.98Å; K42-T50 PolarHBondContact O-N 2.88Å; K42-T50 PolarHBondContact O-OG1 2.83Å; K42-T50 VanDerWaalsContact O-OG1 3.09Å
43M82.3Confident87Confident8 Ų840.1 Ų40.14%0.03920%0.195CC..EExtended strand (participates in β ladder)trans-78.5132.6169-171.1169.654.900110.7F125 Y129M43-F125 VanDerWaalsContact CE-CA 3.44Å; M43-F125 HydrophobicContact CE-CB 3.6Å; M43-F125 HydrophobicContact CE-CD2 3.29Å; M43-F125 HydrophobicContact CE-CE2 4.25Å; M43-F125 HydrophobicContact CE-CG 3.82Å; M43-F125 HydrophobicContact SD-CD2 4.23Å; M43-Y129 PolarHBondContact O-OH 3.46Å
44L79.7Confident87.1Confident26 Ų2640 Ų4014%0.13620%0.201CC..  trans-90.2164.3176.6-61.8-176.5000111.5N46 Y47 Y48 T50 Q87L44-N46 WeakPolarHBondContact CB-OD1 3.17Å; L44-N46 PolarHBondContact O-N 3.37Å; L44-Y47 PolarHBondContact O-N 3.41Å; L44-Y48 WeakPolarHBondContact CB-O 3.49Å; L44-Y48 PolarHBondContact N-O 3.38Å; L44-T50 HydrophobicContact CD1-CG2 3.59Å; L44-T50 HydrophobicContact CD2-CG2 3.97Å; L44-T50 HydrophobicContact CG-CG2 3.79Å; L44-Q87 HydrophobicContact CD1-CG 3.68Å
45E75.1Confident87.1Confident173 Ų17344.2 Ų44.281%0.80821%0.211SC*.THydrogen-bonded Turntrans-58.8-29.6177.6-67.4167.8-162.700113.5Y47E45-Y47 PolarHBondContact O-N 2.88Å
46N73.4Confident87.1Confident67 Ų6742.6 Ų42.636%0.35820%0.197SC..THydrogen-bonded Turntrans-8411.4177.470.5-24.2000113.6L44 Y48 Q87L44-N46 WeakPolarHBondContact CB-OD1 3.17Å; L44-N46 PolarHBondContact O-N 3.37Å; N46-Y48 WeakPolarHBondContact ND2-CD2 3.31Å; N46-Y48 WeakPolarHBondContact O-CD2 3.45Å; N46-Y48 PolarHBondContact OD1-N 3.32Å; N46-Q87 PolarHBondContact ND2-OE1 3.21Å
47Y73.5Confident87Confident67 Ų6744.8 Ų44.826%0.26322%0.216SC..SBendtrans53.156.8-172.8-36.2-85.6000110.3L44 E45 R121 F125 M137L44-Y47 PolarHBondContact O-N 3.41Å; E45-Y47 PolarHBondContact O-N 2.88Å; Y47-R121 PolarHBondContact O-NH1 3.37Å; Y47-R121 PolarHBondContact O-NH2 3.47Å; Y47-F125 HydrophobicContact CD1-CD2 4.2Å; Y47-F125 HydrophobicContact CE1-CD2 4.02Å; Y47-F125 HydrophobicContact CE1-CE2 4.21Å; Y47-M137 HydrophobicContact CE1-CE 4.08Å; Y47-M137 HydrophobicContact CE1-SD 4.12Å; Y47-M137 VanDerWaalsContact OH-CB 3.26Å; Y47-M137 WeakPolarHBondContact OH-CB 3.13Å; Y47-M137 WeakPolarHBondContact OH-CE 3.31Å; Y47-M137 VanDerWaalsContact OH-CG 3.23Å; Y47-M137 WeakPolarHBondContact OH-CG 3.14Å; Y47-M137 PolarHBondContact OH-SD 3.32Å
48Y76.8Confident86.7Confident62 Ų6253 Ų5324%0.24325%0.247CC..  trans-126.1154.9158-79-106.9000107.6L44 N46 Q87 L89L44-Y48 WeakPolarHBondContact CB-O 3.49Å; L44-Y48 PolarHBondContact N-O 3.38Å; N46-Y48 WeakPolarHBondContact ND2-CD2 3.31Å; N46-Y48 WeakPolarHBondContact O-CD2 3.45Å; N46-Y48 PolarHBondContact OD1-N 3.32Å; Y48-Q87 HydrophobicContact CD1-CB 3.94Å; Y48-Q87 HydrophobicContact CG-CB 4.05Å; Y48-L89 HydrophobicContact CE1-CB 4.34Å
49N82.9Confident86.3Confident1 Ų162.9 Ų62.91%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-98.5146.4176.6-62.3-1000109.1E41 K42 Y51 F88 V90E41-N49 HydrophobicContact CG-CB 4.24Å; E41-N49 PolarHBondContact OE1-ND2 2.79Å; K42-N49 CarbonylContact O-C 3.57Å; K42-N49 WeakPolarHBondContact O-CA 3.36Å; N49-Y51 HydrophobicContact CB-CE2 4.3Å; N49-F88 PolarHBondContact N-O 3.48Å; N49-F88 PolarHBondContact O-N 2.86Å; N49-V90 WeakPolarHBondContact ND2-CG2 3.43Å
50T89.3Confident85.9Confident3 Ų371.4 Ų71.42%0.01832%0.32CS..EExtended strand (participates in β ladder)trans-117.9144.4170.354.40000108.1E41 K42 L44 F64 A86E41-T50 CarbonylContact C-O 3.52Å; E41-T50 WeakPolarHBondContact CA-O 3.48Å; K42-T50 PolarHBondContact N-O 2.98Å; K42-T50 PolarHBondContact O-N 2.88Å; K42-T50 PolarHBondContact O-OG1 2.83Å; K42-T50 VanDerWaalsContact O-OG1 3.09Å; L44-T50 HydrophobicContact CD1-CG2 3.59Å; L44-T50 HydrophobicContact CD2-CG2 3.97Å; L44-T50 HydrophobicContact CG-CG2 3.79Å; T50-F64 HydrophobicContact CG2-CD1 4.47Å; T50-F64 HydrophobicContact CG2-CE1 4.46Å; T50-A86 WeakPolarHBondContact CG2-O 3.37Å
51Y92.4Very high85.8Confident0 Ų074.3 Ų74.30%033%0.328CS..EExtended strand (participates in β ladder)trans-119.8117.8177.5-59.7-77.1000108.7V8 I10 F39 M40 E41 N49 F64 V65 F88 V90 M173V8-Y51 HydrophobicContact CG2-CD1 3.68Å; V8-Y51 HydrophobicContact CG2-CE1 3.75Å; I10-Y51 HydrophobicContact CD1-CD1 4.34Å; I10-Y51 HydrophobicContact CD1-CE1 4.48Å; I10-Y51 HydrophobicContact CD1-CG 4.44Å; F39-Y51 HydrophobicContact CB-CD1 4.47Å; M40-Y51 WeakPolarHBondContact O-CA 3.42Å; E41-Y51 HydrophobicContact CB-CD1 3.87Å; E41-Y51 HydrophobicContact CB-CE1 3.66Å; E41-Y51 HydrophobicContact CG-CD1 4.07Å; E41-Y51 HydrophobicContact CG-CE1 3.47Å; E41-Y51 VanDerWaalsContact CG-CE1 3.47Å; E41-Y51 WeakPolarHBondContact OE1-CE1 3.25Å; E41-Y51 PolarHBondContact OE1-OH 2.79Å; N49-Y51 HydrophobicContact CB-CE2 4.3Å; Y51-F64 CarbonylContact O-C 3.42Å; Y51-F64 WeakPolarHBondContact O-CA 3.28Å; Y51-V65 PolarHBondContact O-N 3.46Å; Y51-F88 HydrophobicContact CD2-CB 4.45Å; Y51-F88 AromaticContact CD2-CD2 3.69Å; Y51-F88 HydrophobicContact CD2-CD2 3.69Å; Y51-F88 HydrophobicContact CD2-CE2 4.31Å; Y51-F88 HydrophobicContact CD2-CG 4.29Å; Y51-F88 HydrophobicContact CE2-CB 3.91Å; Y51-F88 HydrophobicContact CE2-CD2 4.02Å; Y51-F88 HydrophobicContact CE2-CG 4.19Å; Y51-V90 WeakPolarHBondContact OH-CG2 3.34Å; Y51-M173 HydrophobicContact CE2-CE 4.08Å
52T93.9Very high86.1Confident5 Ų578.9 Ų78.93%0.03135%0.348CS..EExtended strand (participates in β ladder)trans-109.8138.5178.350.60000111.5F39 M40 C54 K62 W63 F64F39-T52 CarbonylContact C-O 3.55Å; F39-T52 VanDerWaalsContact CA-O 3.22Å; F39-T52 WeakPolarHBondContact CA-O 3.5Å; M40-T52 VanDerWaalsContact CE-OG1 3.25Å; M40-T52 WeakPolarHBondContact CE-OG1 3.34Å; M40-T52 PolarHBondContact N-O 3.34Å; M40-T52 PolarHBondContact O-N 2.79Å; M40-T52 PolarHBondContact O-OG1 3.33Å; T52-C54 PolarHBondContact O-N 3.45Å; T52-K62 HydrophobicContact CG2-CB 3.75Å; T52-K62 HydrophobicContact CG2-CD 4.11Å; T52-W63 CarbonylContact C-O 3.42Å; T52-W63 WeakPolarHBondContact CA-O 3.22Å; T52-F64 HydrophobicContact CG2-CD1 3.35Å; T52-F64 HydrophobicContact CG2-CD2 4.3Å; T52-F64 HydrophobicContact CG2-CE1 3.17Å; T52-F64 HydrophobicContact CG2-CE2 4.16Å; T52-F64 HydrophobicContact CG2-CG 3.92Å; T52-F64 HydrophobicContact CG2-CZ 3.6Å
53S93.7Very high86.5Confident8 Ų874.5 Ų74.56%0.05633%0.328CS..EExtended strand (participates in β ladder)trans-59.8131.8173.71800000110.3R55 Y56 W63S53-R55 PolarHBondContact OG-N 3Å; S53-Y56 PolarHBondContact OG-N 3.23Å; S53-W63 PolarHBondContact N-O 2.77Å
54C91.7Very high87Confident62 Ų6275 Ų7542%0.41933%0.33SS..EExtended strand (participates in β ladder)trans-76.4-33.9173.4-63.40000111.7L7 I38 M40 T52L7-C54 WeakPolarHBondContact CD2-SG 3.23Å; I38-C54 HydrophobicContact CG2-CB 4.43Å; I38-C54 PolarHBondContact O-N 2.81Å; M40-C54 PolarHBondContact N-SG 2.85Å; M40-C54 VanDerWaalsContact N-SG 3.4Å; T52-C54 PolarHBondContact O-N 3.45Å
55R92.4Very high87.6Confident136 Ų13673.7 Ų73.751%0.51332%0.323SS..EExtended strand (participates in β ladder)trans-79.9-39.6-177.8-170.8179.4176.280.25.6112.8T35 S53T35-R55 PolarHBondContact OG1-NH1 3.03Å; S53-R55 PolarHBondContact OG-N 3Å
56Y94.1Very high88.3Confident38 Ų3865.5 Ų65.515%0.14929%0.285CS..EExtended strand (participates in β ladder)trans-114.2116.1-171.7-59.3-59.6000112.4M21 N22 N23 E36 S53 W63M21-Y56 VanDerWaalsContact O-CD2 3.23Å; M21-Y56 WeakPolarHBondContact O-CD2 3.13Å; M21-Y56 WeakPolarHBondContact O-CE2 3.29Å; N22-Y56 WeakPolarHBondContact O-CD2 3.36Å; N23-Y56 HydrophobicContact CB-CD1 4.21Å; N23-Y56 HydrophobicContact CB-CE1 3.56Å; N23-Y56 HydrophobicContact CB-CE2 4.38Å; N23-Y56 VanDerWaalsContact N-CE2 3.32Å; E36-Y56 HydrophobicContact CG-CE2 4.01Å; E36-Y56 VanDerWaalsContact OE1-CE2 3.28Å; E36-Y56 WeakPolarHBondContact OE1-CE2 3.14Å; E36-Y56 VanDerWaalsContact OE1-CZ 3.27Å; E36-Y56 PolarHBondContact OE1-OH 3.43Å; S53-Y56 PolarHBondContact OG-N 3.23Å; Y56-W63 VanDerWaalsContact CB-CE3 3.49Å; Y56-W63 HydrophobicContact CG-CE3 4.37Å; Y56-W63 HydrophobicContact CG-CZ3 4.17Å
57S90.7Very high88.9Confident79 Ų7962.3 Ų62.355%0.55227%0.268SS*.EExtended strand (participates in β ladder)trans-147.3165.5169.672.70000110.2
58R87.9Confident89.2Confident172 Ų17261.3 Ų61.365%0.64927%0.267SS*.EExtended strand (participates in β ladder)trans-112.9154.5163.8-71-174.4170.4-165.7-2108.2K60 R61 W63R58-K60 VanDerWaalsContact C-N 3.3Å; R58-K60 PolarHBondContact O-N 3.09Å; R58-R61 HydrophobicContact CB-CB 4.37Å; R58-R61 PolarHBondContact N-O 3.21Å; R58-R61 CarbonylContact O-C 3.57Å; R58-R61 PolarHBondContact O-N 2.81Å; R58-R61 VanDerWaalsContact O-O 3.13Å; R58-W63 HydrophobicContact CG-CZ2 4.46Å
59R82.9Confident89.2Confident230 Ų23065.2 Ų65.287%0.86829%0.285SS*.THydrogen-bonded Turntrans-23.9-57.7-174.6-149.2176.794.588.3-9.1116.3
60K84.2Confident88.9Confident178 Ų17875.1 Ų75.177%0.77432%0.323SS*.THydrogen-bonded Turntrans-115.310.2179.1-63.7-173.7176.2-176.30114.1R58R58-K60 VanDerWaalsContact C-N 3.3Å; R58-K60 PolarHBondContact O-N 3.09Å
61R89.9Confident88.3Confident118 Ų11876.5 Ų76.545%0.44534%0.338SS..EExtended strand (participates in β ladder)trans-133.5102.2-172-61.2-172.173.5166.4-4.3111.2R58R58-R61 HydrophobicContact CB-CB 4.37Å; R58-R61 PolarHBondContact N-O 3.21Å; R58-R61 CarbonylContact O-C 3.57Å; R58-R61 PolarHBondContact O-N 2.81Å; R58-R61 VanDerWaalsContact O-O 3.13Å
62K93.8Very high87.9Confident114 Ų11484.5 Ų84.550%0.49637%0.368SS..EExtended strand (participates in β ladder)trans-68148.7168.7-57.3-169.2178-168.30110.4M40 T52 F64M40-K62 HydrophobicContact CE-CD 4.33Å; M40-K62 VanDerWaalsContact CE-NZ 3.33Å; T52-K62 HydrophobicContact CG2-CB 3.75Å; T52-K62 HydrophobicContact CG2-CD 4.11Å; K62-F64 HydrophobicContact CB-CE2 3.84Å; K62-F64 HydrophobicContact CB-CZ 3.99Å; K62-F64 VanDerWaalsContact O-CD2 3.32Å; K62-F64 WeakPolarHBondContact O-CD2 3.33Å; K62-F64 VanDerWaalsContact O-CE2 3.29Å; K62-F64 WeakPolarHBondContact O-CE2 3.29Å
63W95.3Very high87.6Confident18 Ų1886.9 Ų86.97%0.06838%0.383CS..EExtended strand (participates in β ladder)trans-99.4126.1176.9-68.414.2000109.1M21 N23 T52 S53 Y56 R58 G76 N77M21-W63 HydrophobicContact SD-CB 3.85Å; M21-W63 HydrophobicContact SD-CE3 4Å; N23-W63 WeakPolarHBondContact O-CH2 3.18Å; N23-W63 WeakPolarHBondContact O-CZ3 3.48Å; T52-W63 CarbonylContact C-O 3.42Å; T52-W63 WeakPolarHBondContact CA-O 3.22Å; S53-W63 PolarHBondContact N-O 2.77Å; Y56-W63 VanDerWaalsContact CB-CE3 3.49Å; Y56-W63 HydrophobicContact CG-CE3 4.37Å; Y56-W63 HydrophobicContact CG-CZ3 4.17Å; R58-W63 HydrophobicContact CG-CZ2 4.46Å; W63-G76 WeakPolarHBondContact CA-O 3.33Å; W63-N77 HydrophobicContact CD2-CB 3.87Å; W63-N77 HydrophobicContact CE3-CB 4.38Å; W63-N77 HydrophobicContact CG-CB 4.33Å; W63-N77 HydrophobicContact CH2-CB 4.26Å; W63-N77 HydrophobicContact CZ2-CB 3.73Å
64F93.2Very high87.5Confident17 Ų1789.3 Ų89.38%0.07539%0.391CS..EExtended strand (participates in β ladder)trans-106.9140.6-172.2-64.6-97.7000111T50 Y51 T52 K62 A66 G76 N81 A86T50-F64 HydrophobicContact CG2-CD1 4.47Å; T50-F64 HydrophobicContact CG2-CE1 4.46Å; Y51-F64 CarbonylContact O-C 3.42Å; Y51-F64 WeakPolarHBondContact O-CA 3.28Å; T52-F64 HydrophobicContact CG2-CD1 3.35Å; T52-F64 HydrophobicContact CG2-CD2 4.3Å; T52-F64 HydrophobicContact CG2-CE1 3.17Å; T52-F64 HydrophobicContact CG2-CE2 4.16Å; T52-F64 HydrophobicContact CG2-CG 3.92Å; T52-F64 HydrophobicContact CG2-CZ 3.6Å; K62-F64 HydrophobicContact CB-CE2 3.84Å; K62-F64 HydrophobicContact CB-CZ 3.99Å; K62-F64 VanDerWaalsContact O-CD2 3.32Å; K62-F64 WeakPolarHBondContact O-CD2 3.33Å; K62-F64 VanDerWaalsContact O-CE2 3.29Å; K62-F64 WeakPolarHBondContact O-CE2 3.29Å; F64-A66 PolarHBondContact O-N 3.04Å; F64-G76 PolarHBondContact N-O 2.71Å; F64-G76 WeakPolarHBondContact O-CA 3.48Å; F64-N81 HydrophobicContact CE1-CB 3.7Å; F64-N81 HydrophobicContact CE2-CB 4.41Å; F64-N81 HydrophobicContact CZ-CB 3.6Å; F64-A86 HydrophobicContact CB-CB 3.95Å; F64-A86 HydrophobicContact CG-CB 4.39Å
65V93.3Very high87.5Confident0 Ų091 Ų910%039%0.389CS..  trans-58.2133.7158.4-1790000107.3L19 M21 L27 F39 Y51 A86 F88 F159L19-V65 HydrophobicContact CD2-CG1 4.17Å; L19-V65 HydrophobicContact CD2-CG2 4.29Å; M21-V65 HydrophobicContact CE-CG2 4.18Å; L27-V65 HydrophobicContact CD1-CG1 3.91Å; L27-V65 HydrophobicContact CD2-CG2 4.24Å; F39-V65 HydrophobicContact CD1-CG2 3.63Å; F39-V65 HydrophobicContact CE1-CG2 3.52Å; F39-V65 HydrophobicContact CG-CG2 4.28Å; F39-V65 HydrophobicContact CZ-CG2 4.08Å; Y51-V65 PolarHBondContact O-N 3.46Å; V65-A86 WeakPolarHBondContact O-CA 3.27Å; V65-F88 HydrophobicContact CB-CE2 4.1Å; V65-F88 HydrophobicContact CB-CZ 4.42Å; V65-F88 HydrophobicContact CG1-CE2 3.93Å; V65-F88 HydrophobicContact CG1-CZ 3.81Å; V65-F88 VanDerWaalsContact O-CE2 3.31Å; V65-F88 WeakPolarHBondContact O-CE2 3.24Å; V65-F159 HydrophobicContact CG1-CE1 4.24Å; V65-F159 HydrophobicContact CG1-CZ 3.83Å
66A89.3Confident87.5Confident0 Ų084.6 Ų84.60%037%0.365CS..  trans-157.8146.6179.900000111.9F64 R74 S79 Y85 A86F64-A66 PolarHBondContact O-N 3.04Å; A66-R74 HydrophobicContact CB-CB 4.05Å; A66-R74 PolarHBondContact O-N 2.49Å; A66-S79 WeakPolarHBondContact CB-OG 3.45Å; A66-Y85 CarbonylContact C-O 3.46Å; A66-Y85 WeakPolarHBondContact CA-O 3.3Å; A66-Y85 VanDerWaalsContact CB-O 3.32Å; A66-Y85 WeakPolarHBondContact CB-O 3.32Å; A66-A86 HydrophobicContact CB-CB 4.21Å
67L85.8Confident87.4Confident0 Ų085.1 Ų85.10%037%0.37CS..BIsolated β-bridgetrans-118.4147.7173.1-57.2-179.7000109.8R72 P73 Y85 F88 T155 F159L67-R72 WeakPolarHBondContact CA-O 3.31Å; L67-P73 HydrophobicContact CD2-CB 4.28Å; L67-Y85 PolarHBondContact N-O 2.9Å; L67-Y85 WeakPolarHBondContact O-CB 2.82Å; L67-Y85 WeakPolarHBondContact O-CD1 2.89Å; L67-F88 HydrophobicContact CD1-CE1 4.23Å; L67-F88 HydrophobicContact CG-CE1 4.17Å; L67-F88 HydrophobicContact CG-CZ 4.46Å; L67-T155 HydrophobicContact CB-CG2 3.68Å; L67-T155 HydrophobicContact CD1-CG2 4.06Å; L67-T155 HydrophobicContact CG-CG2 4.2Å; L67-F159 HydrophobicContact CD2-CD1 4.45Å; L67-F159 HydrophobicContact CD2-CE1 4.11Å
68N79.1Confident87.4Confident47 Ų4788.8 Ų88.825%0.25137%0.372SS..  trans-80.5173.4173.271.713000111.1R70 G71 R72 R74N68-R70 PolarHBondContact O-N 3.35Å; N68-R70 VanDerWaalsContact OD1-CA 3.26Å; N68-R70 WeakPolarHBondContact OD1-CA 3.42Å; N68-R70 WeakPolarHBondContact OD1-CB 3.47Å; N68-R70 PolarHBondContact OD1-N 2.87Å; N68-G71 PolarHBondContact O-N 3.41Å; N68-G71 PolarHBondContact OD1-N 3.37Å; N68-R72 PolarHBondContact N-O 3.3Å; N68-R72 PolarHBondContact OD1-N 2.88Å; N68-R72 PolarHBondContact OD1-O 2.91Å; N68-R74 HydrophobicContact CB-CG 3.92Å
69K77.4Confident87.4Confident143 Ų14380.8 Ų80.862%0.62234%0.342SS*.THydrogen-bonded Turntrans-56.2-23.5175.4-65.7-175168.61710113.8G71 Y85 L153K69-G71 VanDerWaalsContact C-N 3.34Å; K69-Y85 HydrophobicContact CD-CE1 4.43Å; K69-Y85 WeakPolarHBondContact CE-OH 3.18Å; K69-Y85 HydrophobicContact CG-CE1 3.48Å; K69-Y85 VanDerWaalsContact CG-CE1 3.48Å; K69-L153 HydrophobicContact CD-CD1 4.25Å; K69-L153 HydrophobicContact CG-CD1 4.3Å
70R76.5Confident87.6Confident210 Ų21076.2 Ų76.279%0.79233%0.325SS*.THydrogen-bonded Turntrans-90.96.8179.2-56.4-177-178.2-175.70.2112.5N68 R72N68-R70 PolarHBondContact O-N 3.35Å; N68-R70 VanDerWaalsContact OD1-CA 3.26Å; N68-R70 WeakPolarHBondContact OD1-CA 3.42Å; N68-R70 WeakPolarHBondContact OD1-CB 3.47Å; N68-R70 PolarHBondContact OD1-N 2.87Å; R70-R72 VanDerWaalsContact C-N 3.29Å; R70-R72 PolarHBondContact O-N 3.05Å
71G77.5Confident87.4Confident32 Ų3271.3 Ų71.333%0.3331%0.307SS..SBendtrans75.83.8-17800000115.7N68 K69N68-G71 PolarHBondContact O-N 3.41Å; N68-G71 PolarHBondContact OD1-N 3.37Å; K69-G71 VanDerWaalsContact C-N 3.34Å
72R82.4Confident87Confident167 Ų16774.6 Ų74.663%0.6333%0.325SS*.PPolyproline II helixtrans-82.9145.2178.8-56-175.9175.6-177.7-4111.5L67 N68 R70 R74L67-R72 WeakPolarHBondContact CA-O 3.31Å; N68-R72 PolarHBondContact N-O 3.3Å; N68-R72 PolarHBondContact OD1-N 2.88Å; N68-R72 PolarHBondContact OD1-O 2.91Å; R70-R72 VanDerWaalsContact C-N 3.29Å; R70-R72 PolarHBondContact O-N 3.05Å; R72-R74 PolarHBondContact O-N 2.78Å
73P89.4Confident86.5Confident56 Ų5671.9 Ų71.936%0.36431%0.314SS..BIsolated β-bridgetrans-63.3134.7178.125.4-33.7000112.2L27 L67L27-P73 HydrophobicContact CB-CB 4.18Å; L27-P73 HydrophobicContact CD1-CB 4.1Å; L67-P73 HydrophobicContact CD2-CB 4.28Å
74R90.4Very high85.8Confident58 Ų5878.5 Ų78.522%0.21934%0.343CS..PPolyproline II helixtrans-96.9154.1172.5-66.6-178.271.9-144.4-3.9109.9A66 N68 R72 G76 R78A66-R74 HydrophobicContact CB-CB 4.05Å; A66-R74 PolarHBondContact O-N 2.49Å; N68-R74 HydrophobicContact CB-CG 3.92Å; R72-R74 PolarHBondContact O-N 2.78Å; R74-G76 PolarHBondContact O-N 3.19Å; R74-R78 PolarHBondContact NH2-O 2.92Å
75R92.8Very high85.2Confident99 Ų9981.1 Ų81.137%0.37435%0.353SS..PPolyproline II helixtrans-69.4128.7173.8-57.4-173.6-172.3-1762.7110.3G25 N77 R78 S79G25-R75 CarbonylContact O-C 3.43Å; G25-R75 WeakPolarHBondContact O-CA 3.23Å; R75-N77 VanDerWaalsContact C-N 3.26Å; R75-N77 WeakPolarHBondContact CB-OD1 3.22Å; R75-N77 PolarHBondContact O-N 3.14Å; R75-R78 HydrophobicContact CB-CG 4.4Å; R75-R78 WeakPolarHBondContact O-CB 3.17Å; R75-R78 PolarHBondContact O-N 2.6Å; R75-S79 PolarHBondContact O-OG 2.8Å
76G91.4Very high84.8Confident0 Ų081.1 Ų81.10%035%0.353CS..G310 helixtrans-62.9-30.1-175.200000114.3G25 W63 F64 R74 R78 S79G25-G76 PolarHBondContact O-N 3.12Å; W63-G76 WeakPolarHBondContact CA-O 3.33Å; F64-G76 PolarHBondContact N-O 2.71Å; F64-G76 WeakPolarHBondContact O-CA 3.48Å; R74-G76 PolarHBondContact O-N 3.19Å; G76-R78 PolarHBondContact O-N 3.5Å; G76-S79 PolarHBondContact O-N 2.92Å
77N92.3Very high84.5Confident50 Ų5082.1 Ų82.127%0.26736%0.358SS..G310 helixtrans-68.3-14.6173.164.4-6.4000114.2W63 R75W63-N77 HydrophobicContact CD2-CB 3.87Å; W63-N77 HydrophobicContact CE3-CB 4.38Å; W63-N77 HydrophobicContact CG-CB 4.33Å; W63-N77 HydrophobicContact CH2-CB 4.26Å; W63-N77 HydrophobicContact CZ2-CB 3.73Å; R75-N77 VanDerWaalsContact C-N 3.26Å; R75-N77 WeakPolarHBondContact CB-OD1 3.22Å; R75-N77 PolarHBondContact O-N 3.14Å
78R91.5Very high84.5Confident156 Ų15682.1 Ų82.159%0.58936%0.358SS*.G310 helixtrans-102.21.8176.1-64-175.5180-173.2-1.9113.1R74 R75 G76R74-R78 PolarHBondContact NH2-O 2.92Å; R75-R78 HydrophobicContact CB-CG 4.4Å; R75-R78 WeakPolarHBondContact O-CB 3.17Å; R75-R78 PolarHBondContact O-N 2.6Å; G76-R78 PolarHBondContact O-N 3.5Å
79S87.7Confident84.4Confident3 Ų381 Ų812%0.02135%0.351CS..  trans-103.3148.9-176.6-59.10000110.9A66 R75 G76A66-S79 WeakPolarHBondContact CB-OG 3.45Å; R75-S79 PolarHBondContact O-OG 2.8Å; G76-S79 PolarHBondContact O-N 2.92Å
80R87.2Confident84.2Confident135 Ų13574.5 Ų74.551%0.50932%0.324SS..  trans-134.2150.6177-56.5-173.4-174.2-152.85.2109.7K82 Q83R80-K82 VanDerWaalsContact C-N 3.27Å; R80-K82 PolarHBondContact O-N 2.82Å; R80-Q83 HydrophobicContact CB-CG 4.23Å; R80-Q83 WeakPolarHBondContact O-CB 3.25Å; R80-Q83 PolarHBondContact O-N 3.25Å
81N79Confident83.9Confident75 Ų7566.9 Ų66.940%0.40130%0.299SS..THydrogen-bonded Turntrans-54.8-36.817762.2-25.2000114.3F64 Q83 Q87F64-N81 HydrophobicContact CE1-CB 3.7Å; F64-N81 HydrophobicContact CE2-CB 4.41Å; F64-N81 HydrophobicContact CZ-CB 3.6Å; N81-Q83 PolarHBondContact O-N 3.02Å; N81-Q87 PolarHBondContact O-NE2 2.97Å
82K81.2Confident83.3Confident186 Ų18667.8 Ų67.881%0.80929%0.294SS*.THydrogen-bonded Turntrans-68.9-13.8179.2-63.7-171.8178.9-172.30113.5R80R80-K82 VanDerWaalsContact C-N 3.27Å; R80-K82 PolarHBondContact O-N 2.82Å
83Q84.3Confident82.2Confident58 Ų5861.2 Ų61.227%0.27127%0.271SS..SBendtrans-87.1129.9-177.9-64.3179.1-18.200110.7R80 N81 Y85 A86R80-Q83 HydrophobicContact CB-CG 4.23Å; R80-Q83 WeakPolarHBondContact O-CB 3.25Å; R80-Q83 PolarHBondContact O-N 3.25Å; N81-Q83 PolarHBondContact O-N 3.02Å; Q83-Y85 HydrophobicContact CB-CD2 4.31Å; Q83-Y85 PolarHBondContact O-N 3.38Å; Q83-A86 PolarHBondContact O-N 3.04Å
84K79.9Confident80.7Confident156 Ų15663.7 Ų63.768%0.67828%0.282SS*.G310 helixtrans-53.1-29.6174.7-64.7-173.7177.1-175.20113.4A86 Q87 T155K84-A86 PolarHBondContact O-N 3.13Å; K84-Q87 WeakPolarHBondContact O-CB 3.43Å; K84-Q87 PolarHBondContact O-N 2.83Å; K84-Q87 VanDerWaalsContact O-N 3.12Å; K84-T155 PolarHBondContact O-OG1 3.33Å
85Y81Confident78.9Confident72 Ų7265.3 Ų65.328%0.28229%0.294SS..G310 helixtrans-60.7-22.5176.5-58.4-45000115.3A66 L67 K69 Q83A66-Y85 CarbonylContact C-O 3.46Å; A66-Y85 WeakPolarHBondContact CA-O 3.3Å; A66-Y85 VanDerWaalsContact CB-O 3.32Å; A66-Y85 WeakPolarHBondContact CB-O 3.32Å; L67-Y85 PolarHBondContact N-O 2.9Å; L67-Y85 WeakPolarHBondContact O-CB 2.82Å; L67-Y85 WeakPolarHBondContact O-CD1 2.89Å; K69-Y85 HydrophobicContact CD-CE1 4.43Å; K69-Y85 WeakPolarHBondContact CE-OH 3.18Å; K69-Y85 HydrophobicContact CG-CE1 3.48Å; K69-Y85 VanDerWaalsContact CG-CE1 3.48Å; Q83-Y85 HydrophobicContact CB-CD2 4.31Å; Q83-Y85 PolarHBondContact O-N 3.38Å
86A85.5Confident77Confident0 Ų068.1 Ų68.10%031%0.312CS..G310 helixtrans-104.15.4179.900000112.5T50 F64 V65 A66 Q83 K84T50-A86 WeakPolarHBondContact CG2-O 3.37Å; F64-A86 HydrophobicContact CB-CB 3.95Å; F64-A86 HydrophobicContact CG-CB 4.39Å; V65-A86 WeakPolarHBondContact O-CA 3.27Å; A66-A86 HydrophobicContact CB-CB 4.21Å; Q83-A86 PolarHBondContact O-N 3.04Å; K84-A86 PolarHBondContact O-N 3.13Å
87Q83.3Confident75.1Confident22 Ų2272 Ų7210%0.10333%0.333CS..  trans-104.8124.7-177.2-65.1-1764.500109.1L44 N46 Y48 N81 K84L44-Q87 HydrophobicContact CD1-CG 3.68Å; N46-Q87 PolarHBondContact ND2-OE1 3.21Å; Y48-Q87 HydrophobicContact CD1-CB 3.94Å; Y48-Q87 HydrophobicContact CG-CB 4.05Å; N81-Q87 PolarHBondContact O-NE2 2.97Å; K84-Q87 WeakPolarHBondContact O-CB 3.43Å; K84-Q87 PolarHBondContact O-N 2.83Å; K84-Q87 VanDerWaalsContact O-N 3.12Å
88F84.1Confident73.2Confident0 Ų072 Ų720%033%0.334CS..BIsolated β-bridgetrans-122146.2-175.4-62-79.2000110.9N49 Y51 V65 L67 T155 L157N49-F88 PolarHBondContact N-O 3.48Å; N49-F88 PolarHBondContact O-N 2.86Å; Y51-F88 HydrophobicContact CD2-CB 4.45Å; Y51-F88 AromaticContact CD2-CD2 3.69Å; Y51-F88 HydrophobicContact CD2-CD2 3.69Å; Y51-F88 HydrophobicContact CD2-CE2 4.31Å; Y51-F88 HydrophobicContact CD2-CG 4.29Å; Y51-F88 HydrophobicContact CE2-CB 3.91Å; Y51-F88 HydrophobicContact CE2-CD2 4.02Å; Y51-F88 HydrophobicContact CE2-CG 4.19Å; V65-F88 HydrophobicContact CB-CE2 4.1Å; V65-F88 HydrophobicContact CB-CZ 4.42Å; V65-F88 HydrophobicContact CG1-CE2 3.93Å; V65-F88 HydrophobicContact CG1-CZ 3.81Å; V65-F88 VanDerWaalsContact O-CE2 3.31Å; V65-F88 WeakPolarHBondContact O-CE2 3.24Å; L67-F88 HydrophobicContact CD1-CE1 4.23Å; L67-F88 HydrophobicContact CG-CE1 4.17Å; L67-F88 HydrophobicContact CG-CZ 4.46Å; F88-T155 HydrophobicContact CD1-CG2 4.36Å; F88-T155 HydrophobicContact CE1-CG2 3.92Å; F88-L157 HydrophobicContact CB-CD1 4.14Å; F88-L157 HydrophobicContact CD1-CD1 3.59Å; F88-L157 HydrophobicContact CD1-CD2 3.58Å; F88-L157 HydrophobicContact CD1-CG 3.42Å; F88-L157 VanDerWaalsContact CD1-CG 3.42Å; F88-L157 HydrophobicContact CE1-CD1 4.33Å; F88-L157 HydrophobicContact CE1-CD2 3.43Å; F88-L157 VanDerWaalsContact CE1-CD2 3.43Å; F88-L157 HydrophobicContact CE1-CG 3.66Å; F88-L157 HydrophobicContact CG-CD1 4.1Å; F88-L157 HydrophobicContact CG-CD2 4.32Å; F88-L157 HydrophobicContact CG-CG 4.32Å; F88-L157 HydrophobicContact CZ-CD2 4.1Å
89L78.1Confident71Confident22 Ų2273.9 Ų73.912%0.11535%0.347CS..  trans-100.8126169.3-16859.3000107.6Y48 L91 L113Y48-L89 HydrophobicContact CE1-CB 4.34Å; L89-L91 HydrophobicContact CD2-CD2 3.71Å; L89-L91 HydrophobicContact CD2-CG 4.49Å; L89-L91 HydrophobicContact CG-CD2 3.93Å; L89-L91 HydrophobicContact CG-CG 4.43Å; L89-L113 HydrophobicContact CD1-CD2 3.84Å; L89-L113 HydrophobicContact CD2-CD2 3.99Å; L89-L113 HydrophobicContact CD2-CG 4.27Å; L89-L113 HydrophobicContact CG-CD2 4.14Å
90V72.6Confident68.9Low8 Ų876.6 Ų76.65%0.04838%0.375CS..  trans-82.7122.1167-179.70000106.2N49 Y51 T117N49-V90 WeakPolarHBondContact ND2-CG2 3.43Å; Y51-V90 WeakPolarHBondContact OH-CG2 3.34Å; V90-T117 VanDerWaalsContact O-CG2 3.24Å; V90-T117 WeakPolarHBondContact O-CG2 3.04Å
91L69.8Low66.7Low50 Ų5076.5 Ų76.526%0.26238%0.38SS..  trans-107.3142.7172.2-62.6176.5000107L89 L113 I172L89-L91 HydrophobicContact CD2-CD2 3.71Å; L89-L91 HydrophobicContact CD2-CG 4.49Å; L89-L91 HydrophobicContact CG-CD2 3.93Å; L89-L91 HydrophobicContact CG-CG 4.43Å; L91-L113 HydrophobicContact CD2-CD2 4.43Å; L91-I172 HydrophobicContact CB-CD1 3.65Å; L91-I172 HydrophobicContact CB-CG1 4.49Å; L91-I172 HydrophobicContact CD1-CD1 4.03Å; L91-I172 HydrophobicContact CG-CD1 4.49Å; L91-I172 WeakPolarHBondContact O-CG2 3.22Å
92H65.1Low64.9Low51 Ų5180.2 Ų80.224%0.23640%0.395CS..  trans-94.3133.9167.5-59.788.4000107F116 T117 W120H92-F116 HydrophobicContact CB-CD1 3.83Å; H92-F116 HydrophobicContact CB-CE1 4.05Å; H92-F116 AromaticContact CD2-CE1 3.5Å; H92-F116 VanDerWaalsContact CD2-CE1 3.5Å; H92-F116 WeakPolarHBondContact CD2-CE1 3.38Å; H92-F116 AromaticContact CE1-CE1 3.76Å; H92-F116 AromaticContact CG-CD1 3.55Å; H92-F116 AromaticContact CG-CE1 3.45Å; H92-F116 VanDerWaalsContact CG-CE1 3.45Å; H92-F116 AromaticContact ND1-CD1 3.55Å; H92-F116 AromaticContact ND1-CE1 3.65Å; H92-F116 AromaticContact NE2-CE1 3.7Å; H92-T117 PolarHBondContact ND1-OG1 2.97Å; H92-W120 AromaticContact CE1-CD2 3.92Å
93L60.4Low62.7Low28 Ų2880 Ų8015%0.14739%0.394CS..  trans-106.7132.1167.8-72.2-173.3000108V98 F105 I172L93-V98 HydrophobicContact CB-CG2 4.41Å; L93-V98 HydrophobicContact CD1-CG2 3.83Å; L93-F105 HydrophobicContact CD2-CE1 3.39Å; L93-F105 HydrophobicContact CD2-CZ 3.43Å; L93-F105 VanDerWaalsContact CD2-CZ 3.43Å; L93-I172 HydrophobicContact CB-CB 4.4Å; L93-I172 HydrophobicContact CB-CG2 4.37Å; L93-I172 HydrophobicContact CD1-CB 3.43Å; L93-I172 VanDerWaalsContact CD1-CB 3.43Å; L93-I172 HydrophobicContact CD1-CD1 3.49Å; L93-I172 VanDerWaalsContact CD1-CD1 3.49Å; L93-I172 HydrophobicContact CD1-CG1 3.62Å; L93-I172 HydrophobicContact CD1-CG2 4.27Å; L93-I172 HydrophobicContact CD2-CD1 3.23Å; L93-I172 HydrophobicContact CD2-CG1 4.29Å; L93-I172 HydrophobicContact CG-CB 3.53Å; L93-I172 HydrophobicContact CG-CD1 3.14Å; L93-I172 HydrophobicContact CG-CG1 3.69Å; L93-I172 HydrophobicContact CG-CG2 3.83Å
94D56.9Low60.5Low109 Ų10985.6 Ų85.658%0.58341%0.413SS*.  trans-72.3140.5160.5-62.4-33.8000107.7E96 D97D94-E96 PolarHBondContact O-N 2.94Å; D94-D97 PolarHBondContact O-N 2.71Å
95D53.5Low58.6Low91 Ų9183.3 Ų83.349%0.48740%0.403SS..THydrogen-bonded Turntrans-59.9-20.5-174-79.2-56.2000113.1K13 Y174K13-D95 IonicContact NZ-OD1 2.59Å; K13-D95 PolarHBondContact NZ-OD1 3.25Å; D95-Y174 PolarHBondContact OD1-OH 3.15Å
96E51.8Low56.4Low158 Ų15888.4 Ų88.474%0.73843%0.427SS*.THydrogen-bonded Turntrans-69.4-31.8176.5-62.2-56.2127.100113.2D94 V98D94-E96 PolarHBondContact O-N 2.94Å; E96-V98 VanDerWaalsContact C-N 3.25Å; E96-V98 PolarHBondContact O-N 3.48Å
97D52.2Low54Low83 Ų8392.4 Ų92.444%0.44445%0.452SS..Hα-helixtrans-71.8-22.3-178.1-76.1-30.8000112.8D94 F105D94-D97 PolarHBondContact O-N 2.71Å; D97-F105 HydrophobicContact CB-CZ 4.18Å
98V52.9Low51.6Low48 Ų4899.5 Ų99.529%0.29149%0.491SS..Hα-helixtrans-76.7-24.5-173.8-176.20000111.9L93 E96L93-V98 HydrophobicContact CB-CG2 4.41Å; L93-V98 HydrophobicContact CD1-CG2 3.83Å; E96-V98 VanDerWaalsContact C-N 3.25Å; E96-V98 PolarHBondContact O-N 3.48Å
99K44.9Very low49.4Very low197 Ų197102.2 Ų102.286%0.85751%0.509SS*.Hα-helixtrans-98.9-15-172.1-73.2-178.4177.5175.90115.1
100G42.3Very low47.4Very low60 Ų60106.1 Ų106.162%0.61954%0.536SS*.Hα-helixtrans-123.5-35.5-161.200000118.9
101Q41.1Very low45.9Very low132 Ų132112.4 Ų112.462%0.61756%0.563SS**  trans-150.8104.4-169.1-73.4-173.3-3.900113.7K103Q101-K103 HydrophobicContact CB-CB 4.46Å; Q101-K103 PolarHBondContact O-N 2.81Å
102Q41.5Very low44.7Very low153 Ų153112.8 Ų112.872%0.71558%0.579SS**THydrogen-bonded Turntrans-62.87.5164.2-143.4-170.434.300113.5N168Q102-N168 PolarHBondContact NE2-ND2 2.89Å; Q102-N168 PolarHBondContact NE2-OD1 3.34Å
103K36.4Very low44.2Very low182 Ų182112.5 Ų112.579%0.79158%0.579SS**THydrogen-bonded Turntrans-100.7-5.8-157.5-91.4-175.4174.7178.20117Q101Q101-K103 HydrophobicContact CB-CB 4.46Å; Q101-K103 PolarHBondContact O-N 2.81Å
104R37.8Very low43.9Very low176 Ų176114.2 Ų114.266%0.66459%0.588SS**  trans-143.621.6-171.9-77.3-166.8175.3178.10.4118.2F106 T107R104-F106 CarbonylContact O-C 3.56Å; R104-F106 PolarHBondContact O-N 2.91Å; R104-F106 VanDerWaalsContact O-N 3.09Å; R104-T107 HydrophobicContact CB-CG2 3.82Å; R104-T107 WeakPolarHBondContact O-CG2 3.21Å; R104-T107 PolarHBondContact O-N 3.41Å
105F40.3Very low43.7Very low108 Ų108114 Ų11447%0.47460%0.595SS.*SBendtrans-73.63.2170-71.9-74.1000114.8L93 D97L93-F105 HydrophobicContact CD2-CE1 3.39Å; L93-F105 HydrophobicContact CD2-CZ 3.43Å; L93-F105 VanDerWaalsContact CD2-CZ 3.43Å; D97-F105 HydrophobicContact CB-CZ 4.18Å
106F34.6Very low43.7Very low178 Ų178115.2 Ų115.278%0.78160%0.596SS**SBendtrans-110.369.2150.1-61.7-83.5000107.7R104 N108R104-F106 CarbonylContact O-C 3.56Å; R104-F106 PolarHBondContact O-N 2.91Å; R104-F106 VanDerWaalsContact O-N 3.09Å; F106-N108 PolarHBondContact O-N 3.4Å
107T34.8Very low43.9Very low85 Ų85107.7 Ų107.752%0.52156%0.561SS.*  trans-69.4135.3169.843.10000107.5R104 S109R104-T107 HydrophobicContact CB-CG2 3.82Å; R104-T107 WeakPolarHBondContact O-CG2 3.21Å; R104-T107 PolarHBondContact O-N 3.41Å; T107-S109 PolarHBondContact O-N 2.89Å
108N33Very low44.4Very low171 Ų171106.8 Ų106.891%0.91455%0.554SS**  trans-67.141.2173.5-63.8-33.5000112.2F106F106-N108 PolarHBondContact O-N 3.4Å
109S37.3Very low44.8Very low56 Ų56110.7 Ų110.739%0.39257%0.567SS.*  trans-87.8127.3170.6170.80000108.5T107 F111T107-S109 PolarHBondContact O-N 2.89Å; S109-F111 PolarHBondContact O-N 2.87Å; S109-F111 PolarHBondContact OG-N 2.77Å
110P36.7Very low45.6Very low104 Ų104103.6 Ų103.668%0.67554%0.535SS*.THydrogen-bonded Turntrans-58.2-6.6172-2031000113.8
111F41.5Very low46.5Very low140 Ų140101.4 Ų101.461%0.61451%0.508SS*.THydrogen-bonded Turntrans-115.6-4.8-168.8-62.2-72.2000116.3S109 L113S109-F111 PolarHBondContact O-N 2.87Å; S109-F111 PolarHBondContact OG-N 2.77Å; F111-L113 PolarHBondContact O-N 2.89Å
112G44.7Very low47.7Very low58 Ų5897.8 Ų97.860%0.59850%0.498SS*.  trans498.4161.300000120.3
113L52.8Low48.8Very low45 Ų4594.8 Ų94.824%0.23648%0.484CS..SBendtrans-152.1122.2-176.9-86.9157.1000104.9L89 L91 F111 T117 Q118L89-L113 HydrophobicContact CD1-CD2 3.84Å; L89-L113 HydrophobicContact CD2-CD2 3.99Å; L89-L113 HydrophobicContact CD2-CG 4.27Å; L89-L113 HydrophobicContact CG-CD2 4.14Å; L91-L113 HydrophobicContact CD2-CD2 4.43Å; F111-L113 PolarHBondContact O-N 2.89Å; L113-T117 HydrophobicContact CD2-CG2 3.32Å; L113-Q118 HydrophobicContact CB-CG 3.62Å; L113-Q118 HydrophobicContact CD1-CG 4.48Å; L113-Q118 PolarHBondContact O-NE2 3.26Å
114D53.9Low50.1Low65 Ų6588.3 Ų88.335%0.34846%0.456SS..  trans-54.2153.5173.1615.9000110.8F116 T117 Q118D114-F116 PolarHBondContact O-N 3.13Å; D114-F116 VanDerWaalsContact O-N 3.14Å; D114-T117 PolarHBondContact O-N 3.12Å; D114-T117 VanDerWaalsContact O-N 3.15Å; D114-T117 VanDerWaalsContact OD1-CA 3.3Å; D114-T117 WeakPolarHBondContact OD1-CA 3.41Å; D114-T117 WeakPolarHBondContact OD1-CB 3.4Å; D114-T117 PolarHBondContact OD1-N 3.36Å; D114-T117 PolarHBondContact OD1-OG1 3.49Å; D114-Q118 PolarHBondContact O-N 3.09Å
115S53.1Low51.3Low104 Ų10481.3 Ų81.373%0.72743%0.43SS*.Hα-helixtrans-54.3-35.5-179.3-178.50000111.3Q118 K119S115-Q118 PolarHBondContact O-N 2.75Å; S115-K119 VanDerWaalsContact O-CB 3.29Å; S115-K119 WeakPolarHBondContact O-CB 3.46Å; S115-K119 PolarHBondContact O-N 3.19Å
116F53.3Low52.4Low116 Ų11680.6 Ų80.651%0.50943%0.428SS..Hα-helixtrans-62.9-52.1176.7-176.6-97.9000112.7H92 D114 Q118 K119 W120H92-F116 HydrophobicContact CB-CD1 3.83Å; H92-F116 HydrophobicContact CB-CE1 4.05Å; H92-F116 AromaticContact CD2-CE1 3.5Å; H92-F116 VanDerWaalsContact CD2-CE1 3.5Å; H92-F116 WeakPolarHBondContact CD2-CE1 3.38Å; H92-F116 AromaticContact CE1-CE1 3.76Å; H92-F116 AromaticContact CG-CD1 3.55Å; H92-F116 AromaticContact CG-CE1 3.45Å; H92-F116 VanDerWaalsContact CG-CE1 3.45Å; H92-F116 AromaticContact ND1-CD1 3.55Å; H92-F116 AromaticContact ND1-CE1 3.65Å; H92-F116 AromaticContact NE2-CE1 3.7Å; D114-F116 PolarHBondContact O-N 3.13Å; D114-F116 VanDerWaalsContact O-N 3.14Å; F116-Q118 VanDerWaalsContact C-N 3.31Å; F116-Q118 PolarHBondContact O-N 2.88Å; F116-K119 PolarHBondContact O-N 2.88Å; F116-W120 VanDerWaalsContact O-CB 3.32Å; F116-W120 WeakPolarHBondContact O-CB 3.34Å; F116-W120 PolarHBondContact O-N 2.89Å
117T57Low53.6Low0 Ų080.1 Ų80.10%043%0.428CS..Hα-helixtrans-64.3-38.6178-57.10000110.1V90 H92 L113 D114 K119 R121V90-T117 VanDerWaalsContact O-CG2 3.24Å; V90-T117 WeakPolarHBondContact O-CG2 3.04Å; H92-T117 PolarHBondContact ND1-OG1 2.97Å; L113-T117 HydrophobicContact CD2-CG2 3.32Å; D114-T117 PolarHBondContact O-N 3.12Å; D114-T117 VanDerWaalsContact O-N 3.15Å; D114-T117 VanDerWaalsContact OD1-CA 3.3Å; D114-T117 WeakPolarHBondContact OD1-CA 3.41Å; D114-T117 WeakPolarHBondContact OD1-CB 3.4Å; D114-T117 PolarHBondContact OD1-N 3.36Å; D114-T117 PolarHBondContact OD1-OG1 3.49Å; T117-K119 PolarHBondContact O-N 3Å; T117-R121 HydrophobicContact CG2-CG 3.99Å; T117-R121 WeakPolarHBondContact O-CB 3.41Å; T117-R121 WeakPolarHBondContact O-CG 3.28Å; T117-R121 PolarHBondContact O-N 3.21Å
118Q61.8Low55Low64 Ų6479.7 Ų79.730%0.29943%0.428SS..Hα-helixtrans-60.4-46.6174-67.3-169.436.600112.3L113 D114 S115 F116 R121 S122L113-Q118 HydrophobicContact CB-CG 3.62Å; L113-Q118 HydrophobicContact CD1-CG 4.48Å; L113-Q118 PolarHBondContact O-NE2 3.26Å; D114-Q118 PolarHBondContact O-N 3.09Å; S115-Q118 PolarHBondContact O-N 2.75Å; F116-Q118 VanDerWaalsContact C-N 3.31Å; F116-Q118 PolarHBondContact O-N 2.88Å; Q118-R121 PolarHBondContact O-N 3.48Å; Q118-S122 WeakPolarHBondContact O-CB 3.36Å; Q118-S122 PolarHBondContact O-N 3.16Å
119K62.3Low56Low130 Ų13075.6 Ų75.657%0.56540%0.401SS*.Hα-helixtrans-62-50.8177.9-177.8-179.7178.9-177.30111.3S115 F116 T117 R121 S122 Q123S115-K119 VanDerWaalsContact O-CB 3.29Å; S115-K119 WeakPolarHBondContact O-CB 3.46Å; S115-K119 PolarHBondContact O-N 3.19Å; F116-K119 PolarHBondContact O-N 2.88Å; T117-K119 PolarHBondContact O-N 3Å; K119-R121 VanDerWaalsContact C-N 3.31Å; K119-R121 PolarHBondContact O-N 3.45Å; K119-S122 WeakPolarHBondContact O-CB 3.33Å; K119-S122 PolarHBondContact O-N 2.93Å; K119-S122 VanDerWaalsContact O-N 3.16Å; K119-Q123 WeakPolarHBondContact O-CG 3.49Å; K119-Q123 PolarHBondContact O-N 2.69Å
120W61.4Low57Low49 Ų4981.6 Ų81.619%0.18642%0.422CS..Hα-helixtrans-59.1-43179.1-175.988.6000111.5H92 F116 Q123 K124H92-W120 AromaticContact CE1-CD2 3.92Å; F116-W120 VanDerWaalsContact O-CB 3.32Å; F116-W120 WeakPolarHBondContact O-CB 3.34Å; F116-W120 PolarHBondContact O-N 2.89Å; W120-Q123 PolarHBondContact O-N 2.89Å; W120-K124 HydrophobicContact CE3-CD 4.21Å; W120-K124 HydrophobicContact CH2-CD 3.39Å; W120-K124 HydrophobicContact CZ2-CD 3.86Å; W120-K124 HydrophobicContact CZ3-CD 3.55Å; W120-K124 WeakPolarHBondContact O-CB 3.34Å; W120-K124 PolarHBondContact O-N 3.34Å
121R61.6Low57.8Low13 Ų1380.1 Ų80.15%0.04943%0.426CS..Hα-helixtrans-67.6-37.4177.2-69.2-174.884.3168.230.8112.7Y47 T117 Q118 K119 K124 F125Y47-R121 PolarHBondContact O-NH1 3.37Å; Y47-R121 PolarHBondContact O-NH2 3.47Å; T117-R121 HydrophobicContact CG2-CG 3.99Å; T117-R121 WeakPolarHBondContact O-CB 3.41Å; T117-R121 WeakPolarHBondContact O-CG 3.28Å; T117-R121 PolarHBondContact O-N 3.21Å; Q118-R121 PolarHBondContact O-N 3.48Å; K119-R121 VanDerWaalsContact C-N 3.31Å; K119-R121 PolarHBondContact O-N 3.45Å; R121-K124 PolarHBondContact O-N 3.41Å; R121-F125 WeakPolarHBondContact O-CB 3.29Å; R121-F125 PolarHBondContact O-N 2.99Å
122S65Low58.3Low56 Ų5683.9 Ų83.939%0.39244%0.436SS..Hα-helixtrans-60.3-47.3173.1-172.60000111Q118 K119 F125 Q126Q118-S122 WeakPolarHBondContact O-CB 3.36Å; Q118-S122 PolarHBondContact O-N 3.16Å; K119-S122 WeakPolarHBondContact O-CB 3.33Å; K119-S122 PolarHBondContact O-N 2.93Å; K119-S122 VanDerWaalsContact O-N 3.16Å; S122-F125 PolarHBondContact O-N 3.38Å; S122-Q126 WeakPolarHBondContact O-CG 3.44Å; S122-Q126 PolarHBondContact O-N 3.46Å; S122-Q126 VanDerWaalsContact O-N 3.1Å
123Q65.7Low58.7Low91 Ų9185.6 Ų85.643%0.42543%0.428SS..Hα-helixtrans-63.3-49177.3-70.8175.8-15.900111.3K119 W120 F125 Q126 H127K119-Q123 WeakPolarHBondContact O-CG 3.49Å; K119-Q123 PolarHBondContact O-N 2.69Å; W120-Q123 PolarHBondContact O-N 2.89Å; Q123-F125 PolarHBondContact O-N 2.59Å; Q123-Q126 WeakPolarHBondContact O-CB 3.11Å; Q123-Q126 PolarHBondContact O-N 2.87Å; Q123-Q126 VanDerWaalsContact O-N 3.13Å; Q123-H127 PolarHBondContact O-CD2 2.95Å; Q123-H127 VanDerWaalsContact O-CD2 3.26Å; Q123-H127 PolarHBondContact O-N 3.32Å
124K64Low58.3Low46 Ų4689.2 Ų89.220%0.244%0.439CS..Hα-helixtrans-58.5-36.3177.8-171.5168.9-174.6167.30112.6E41 W120 R121 S128E41-K124 IonicContact OE1-NZ 2.77Å; E41-K124 IonicContact OE2-NZ 3.67Å; E41-K124 PolarHBondContact OE2-NZ 3.37Å; W120-K124 HydrophobicContact CE3-CD 4.21Å; W120-K124 HydrophobicContact CH2-CD 3.39Å; W120-K124 HydrophobicContact CZ2-CD 3.86Å; W120-K124 HydrophobicContact CZ3-CD 3.55Å; W120-K124 WeakPolarHBondContact O-CB 3.34Å; W120-K124 PolarHBondContact O-N 3.34Å; R121-K124 PolarHBondContact O-N 3.41Å; K124-S128 VanDerWaalsContact O-CB 3.31Å; K124-S128 WeakPolarHBondContact O-CB 3.38Å; K124-S128 PolarHBondContact O-N 3.1Å
125F61.9Low57.9Low28 Ų2894 Ų9412%0.12345%0.452CS..Hα-helixtrans-65.3-47.4175.1-164.7-81.8000112.1M43 Y47 R121 S122 Q123 H127 S128 Y129 M137M43-F125 VanDerWaalsContact CE-CA 3.44Å; M43-F125 HydrophobicContact CE-CB 3.6Å; M43-F125 HydrophobicContact CE-CD2 3.29Å; M43-F125 HydrophobicContact CE-CE2 4.25Å; M43-F125 HydrophobicContact CE-CG 3.82Å; M43-F125 HydrophobicContact SD-CD2 4.23Å; Y47-F125 HydrophobicContact CD1-CD2 4.2Å; Y47-F125 HydrophobicContact CE1-CD2 4.02Å; Y47-F125 HydrophobicContact CE1-CE2 4.21Å; R121-F125 WeakPolarHBondContact O-CB 3.29Å; R121-F125 PolarHBondContact O-N 2.99Å; S122-F125 PolarHBondContact O-N 3.38Å; Q123-F125 PolarHBondContact O-N 2.59Å; F125-H127 VanDerWaalsContact C-N 3.28Å; F125-H127 PolarHBondContact O-N 2.83Å; F125-S128 PolarHBondContact O-N 2.84Å; F125-Y129 HydrophobicContact CD2-CD2 4.37Å; F125-Y129 HydrophobicContact CE1-CD2 4.45Å; F125-Y129 HydrophobicContact CE2-CD2 4.12Å; F125-Y129 HydrophobicContact CE2-CE2 4.43Å; F125-Y129 HydrophobicContact CZ-CD2 4.15Å; F125-Y129 HydrophobicContact CZ-CG 4.4Å; F125-Y129 PolarHBondContact O-N 3.26Å; F125-M137 HydrophobicContact CE1-CE 4.31Å; F125-M137 HydrophobicContact CE1-SD 4.19Å; F125-M137 HydrophobicContact CE2-CE 4.13Å; F125-M137 HydrophobicContact CZ-CE 3.72Å; F125-M137 HydrophobicContact CZ-SD 4.18Å
126Q63.8Low57.8Low93 Ų9394.9 Ų94.944%0.43545%0.445SS..Hα-helixtrans-58.6-41.2178-72.9174.4-22.900111.9S122 Q123S122-Q126 WeakPolarHBondContact O-CG 3.44Å; S122-Q126 PolarHBondContact O-N 3.46Å; S122-Q126 VanDerWaalsContact O-N 3.1Å; Q123-Q126 WeakPolarHBondContact O-CB 3.11Å; Q123-Q126 PolarHBondContact O-N 2.87Å; Q123-Q126 VanDerWaalsContact O-N 3.13Å
127H60.6Low57.6Low168 Ų16891.8 Ų91.878%0.77843%0.432SS*.Hα-helixtrans-70.7-36.7177-80.1-79.7000113.2Q123 F125Q123-H127 PolarHBondContact O-CD2 2.95Å; Q123-H127 VanDerWaalsContact O-CD2 3.26Å; Q123-H127 PolarHBondContact O-N 3.32Å; F125-H127 VanDerWaalsContact C-N 3.28Å; F125-H127 PolarHBondContact O-N 2.83Å
128S63.6Low57.1Low76 Ų7698.1 Ų98.153%0.53146%0.46SS..Hα-helixtrans-83.5-23.4-175.3-171.20000114K124 F125K124-S128 VanDerWaalsContact O-CB 3.31Å; K124-S128 WeakPolarHBondContact O-CB 3.38Å; K124-S128 PolarHBondContact O-N 3.1Å; F125-S128 PolarHBondContact O-N 2.84Å
129Y54.8Low56.4Low85 Ų85102.7 Ų102.733%0.33349%0.486SS..THydrogen-bonded Turntrans-133.595.9-179-66.1-88.7000108.4M43 F125 G131M43-Y129 PolarHBondContact O-OH 3.46Å; F125-Y129 HydrophobicContact CD2-CD2 4.37Å; F125-Y129 HydrophobicContact CE1-CD2 4.45Å; F125-Y129 HydrophobicContact CE2-CD2 4.12Å; F125-Y129 HydrophobicContact CE2-CE2 4.43Å; F125-Y129 HydrophobicContact CZ-CD2 4.15Å; F125-Y129 HydrophobicContact CZ-CG 4.4Å; F125-Y129 PolarHBondContact O-N 3.26Å; Y129-G131 PolarHBondContact O-N 2.74Å
130H57.7Low55.6Low182 Ų182105.3 Ų105.384%0.84350%0.497SS*.THydrogen-bonded Turntrans-34.699.8177-73.6-69.5000112.8R132H130-R132 PolarHBondContact O-N 3.44Å
131G53.2Low54.7Low73 Ų73109.3 Ų109.375%0.75351%0.512SS*.SBendtrans580.4157.100000119.6Y129 H133Y129-G131 PolarHBondContact O-N 2.74Å; G131-H133 VanDerWaalsContact C-N 3.34Å; G131-H133 PolarHBondContact O-N 3.18Å
132R53Low53.4Low220 Ų220112.2 Ų112.283%0.8355%0.546SS*.  trans-74.486.1-175.1-78.2-165.3-96-168-5.9112.2H130H130-R132 PolarHBondContact O-N 3.44Å
133H52.7Low52.1Low94 Ų94115.8 Ų115.844%0.43556%0.56SS.*  trans44.270.7157.2-144.2-138.6000118.5G131 R135 Q136G131-H133 VanDerWaalsContact C-N 3.34Å; G131-H133 PolarHBondContact O-N 3.18Å; H133-R135 PolarHBondContact O-N 2.04Å; H133-R135 VanDerWaalsContact O-N 3.14Å; H133-Q136 WeakPolarHBondContact ND1-CG 3.34Å; H133-Q136 PolarHBondContact O-N 3.41Å
134W43.6Very low50.4Low120 Ų120116.1 Ų116.146%0.45557%0.565SS.*Hα-helixtrans-55.7-24.8168.972-89.8000114.1M137 K138W134-M137 WeakPolarHBondContact O-CB 3.29Å; W134-M137 PolarHBondContact O-N 3.45Å; W134-K138 HydrophobicContact CZ3-CD 4.44Å
135R46.8Very low49.1Very low165 Ų165121.1 Ų121.162%0.62359%0.593SS**Hα-helixtrans-68.4-37.7-178.2-70.7-177.1174.6176.7-2.3113.1H133 M137 K138H133-R135 PolarHBondContact O-N 2.04Å; H133-R135 VanDerWaalsContact O-N 3.14Å; R135-M137 PolarHBondContact O-N 2.84Å; R135-K138 PolarHBondContact O-N 2.88Å
136Q51.1Low47.8Very low124 Ų124130.2 Ų130.258%0.57963%0.626SS**Hα-helixtrans-67.4-23.9175.7-96.8173.74.400113.1H133 L139 K140H133-Q136 WeakPolarHBondContact ND1-CG 3.34Å; H133-Q136 PolarHBondContact O-N 3.41Å; Q136-L139 PolarHBondContact O-N 2.85Å; Q136-K140 PolarHBondContact O-N 3.02Å
137M48.5Very low46.3Very low50 Ų50134.4 Ų134.425%0.24664%0.639CS.*Hα-helixtrans-76.1-19.7-178.4-73.8177.8137.900113.5Y47 F125 W134 R135 R141Y47-M137 HydrophobicContact CE1-CE 4.08Å; Y47-M137 HydrophobicContact CE1-SD 4.12Å; Y47-M137 VanDerWaalsContact OH-CB 3.26Å; Y47-M137 WeakPolarHBondContact OH-CB 3.13Å; Y47-M137 WeakPolarHBondContact OH-CE 3.31Å; Y47-M137 VanDerWaalsContact OH-CG 3.23Å; Y47-M137 WeakPolarHBondContact OH-CG 3.14Å; Y47-M137 PolarHBondContact OH-SD 3.32Å; F125-M137 HydrophobicContact CE1-CE 4.31Å; F125-M137 HydrophobicContact CE1-SD 4.19Å; F125-M137 HydrophobicContact CE2-CE 4.13Å; F125-M137 HydrophobicContact CZ-CE 3.72Å; F125-M137 HydrophobicContact CZ-SD 4.18Å; W134-M137 WeakPolarHBondContact O-CB 3.29Å; W134-M137 PolarHBondContact O-N 3.45Å; R135-M137 PolarHBondContact O-N 2.84Å; M137-R141 WeakPolarHBondContact O-CG 3.34Å
138K46.5Very low44.8Very low133 Ų133134.5 Ų134.558%0.57864%0.64SS**Hα-helixtrans-70.4-36.1169.3-78.1-169.8175.2-175.30111.5W134 R135 R141W134-K138 HydrophobicContact CZ3-CD 4.44Å; R135-K138 PolarHBondContact O-N 2.88Å; K138-R141 WeakPolarHBondContact O-CB 3.08Å
139L46.8Very low43.2Very low160 Ų160139.1 Ų139.184%0.83866%0.658SS**Hα-helixtrans-79.6-31.4-177.3-116.983000113.7Q136 R141Q136-L139 PolarHBondContact O-N 2.85Å; L139-R141 PolarHBondContact O-N 3.34Å
140K45.7Very low41.9Very low186 Ų186145.7 Ų145.781%0.80968%0.682SS**THydrogen-bonded Turntrans-72.6-0.7173.6-80.9-171.8176.2-179.20114.2Q136 G142Q136-K140 PolarHBondContact O-N 3.02Å; K140-G142 PolarHBondContact O-N 2.8Å
141R43.3Very low40.6Very low132 Ų132148.5 Ų148.550%0.49869%0.685SS.*  trans-8044.4172.5-61.8176.1-171.5-170.2-1.5111.5M137 K138 L139 I143M137-R141 WeakPolarHBondContact O-CG 3.34Å; K138-R141 WeakPolarHBondContact O-CB 3.08Å; L139-R141 PolarHBondContact O-N 3.34Å; R141-I143 PolarHBondContact O-N 2.99Å
142G34.3Very low39.6Very low75 Ų75150.2 Ų150.277%0.77368%0.683SS**  trans-62.961.1169.700000111.6K140 D144K140-G142 PolarHBondContact O-N 2.8Å; G142-D144 PolarHBondContact O-N 2.51Å
143I37.2Very low38.6Very low131 Ų131144.9 Ų144.967%0.67267%0.67SS**  trans-84.298171.4-60.6173.2000103.5R141 L145R141-I143 PolarHBondContact O-N 2.99Å; I143-L145 PolarHBondContact O-N 2.73Å; I143-L145 VanDerWaalsContact O-N 3.14Å
144D30.2Very low37.7Very low98 Ų98143.5 Ų143.552%0.52467%0.668SS.*  trans-52.9114.6165.7-164.6-6.7000108.3G142 R146G142-D144 PolarHBondContact O-N 2.51Å; D144-R146 PolarHBondContact O-N 3.15Å; D144-R146 PolarHBondContact OD1-N 2.91Å
145L35.5Very low37.1Very low151 Ų151138.9 Ų138.979%0.79165%0.654SS**THydrogen-bonded Turntrans-69.36.3-179-78.1160.1000112.5I143I143-L145 PolarHBondContact O-N 2.73Å; I143-L145 VanDerWaalsContact O-N 3.14Å
146R34.3Very low36.6Very low218 Ų218134.8 Ų134.882%0.82365%0.647SS**THydrogen-bonded Turntrans-94.75.7-179.7-70-177.3171.8-176.6-1.6115.5D144D144-R146 PolarHBondContact O-N 3.15Å; D144-R146 PolarHBondContact OD1-N 2.91Å
147Y32.5Very low35.9Very low182 Ų182130 Ų13071%0.71463%0.625SS**  trans-102.363.1173.1-81.4-87.2000112.7
148E29.3Very low35.1Very low169 Ų169129.5 Ų129.579%0.7963%0.629SS**  trans-64.7144.9147.8-84.2165.5144.100108.7
149L29.5Very low34.7Very low174 Ų174123.8 Ų123.891%0.91161%0.605SS**SBendtrans847.3167.4-75.3134.5000123
150R28.4Very low33.8Very low222 Ų222124 Ų12484%0.83859%0.594SS**  trans-127.996.7169.4-77.3-172.5175.1-178.70.4114.6
151R29.6Very low33.4Very low241 Ų241117.4 Ų117.491%0.90957%0.566SS**  trans-26.5114.6175.5-60.6-178-179.7-168.10.1115
152P31.9Very low32.9Very low110 Ų110116.8 Ų116.871%0.71458%0.576SS**  trans-79.7124.3157.831.1-26.6000108.5V154P152-V154 VanDerWaalsContact C-N 3.29Å; P152-V154 PolarHBondContact O-N 3.14Å
153L33.7Very low32.7Very low107 Ų107120.5 Ų120.556%0.5658%0.579SS**  trans-65.585.3174.2-72.3161.4000109.9K69 T155K69-L153 HydrophobicContact CD-CD1 4.25Å; K69-L153 HydrophobicContact CG-CD1 4.3Å; L153-T155 PolarHBondContact O-N 3.1Å
154V33.1Very low32.5Very low65 Ų65118.9 Ų118.939%0.39459%0.585SS.*  trans-72.9114.4164.1-178.90000106.8P152 T156P152-V154 VanDerWaalsContact C-N 3.29Å; P152-V154 PolarHBondContact O-N 3.14Å; V154-T156 PolarHBondContact O-N 3.08Å
155T31.7Very low32.6Very low24 Ų24124.7 Ų124.715%0.14760%0.6CS.*  trans-74.481.9174.8-48.90000108.4L67 K84 F88 L153L67-T155 HydrophobicContact CB-CG2 3.68Å; L67-T155 HydrophobicContact CD1-CG2 4.06Å; L67-T155 HydrophobicContact CG-CG2 4.2Å; K84-T155 PolarHBondContact O-OG1 3.33Å; F88-T155 HydrophobicContact CD1-CG2 4.36Å; F88-T155 HydrophobicContact CE1-CG2 3.92Å; L153-T155 PolarHBondContact O-N 3.1Å
156T34.8Very low32.4Very low78 Ų78121.5 Ų121.548%0.47959%0.588SS.*  trans-67.2130.2170.2-49.30000108.8V154 A158V154-T156 PolarHBondContact O-N 3.08Å; T156-A158 PolarHBondContact O-N 3.27Å
157L36.8Very low32.3Very low23 Ų23113.3 Ų113.312%0.1256%0.559CS.*  trans-68.1113.1-179.8-74.4126000110.3F88 F159 M173F88-L157 HydrophobicContact CB-CD1 4.14Å; F88-L157 HydrophobicContact CD1-CD1 3.59Å; F88-L157 HydrophobicContact CD1-CD2 3.58Å; F88-L157 HydrophobicContact CD1-CG 3.42Å; F88-L157 VanDerWaalsContact CD1-CG 3.42Å; F88-L157 HydrophobicContact CE1-CD1 4.33Å; F88-L157 HydrophobicContact CE1-CD2 3.43Å; F88-L157 VanDerWaalsContact CE1-CD2 3.43Å; F88-L157 HydrophobicContact CE1-CG 3.66Å; F88-L157 HydrophobicContact CG-CD1 4.1Å; F88-L157 HydrophobicContact CG-CD2 4.32Å; F88-L157 HydrophobicContact CG-CG 4.32Å; F88-L157 HydrophobicContact CZ-CD2 4.1Å; L157-F159 HydrophobicContact CB-CE2 4.37Å; L157-F159 HydrophobicContact CD2-CD2 4.46Å; L157-F159 HydrophobicContact CD2-CE2 3.38Å; L157-F159 HydrophobicContact CD2-CZ 3.42Å; L157-F159 VanDerWaalsContact CD2-CZ 3.42Å; L157-F159 HydrophobicContact CG-CE2 4.48Å; L157-M173 HydrophobicContact CB-CG 4.41Å; L157-M173 HydrophobicContact CB-SD 4.21Å; L157-M173 HydrophobicContact CD1-CE 3.13Å; L157-M173 HydrophobicContact CD1-CG 4.13Å; L157-M173 HydrophobicContact CD1-SD 3.48Å; L157-M173 WeakPolarHBondContact CD1-SD 3.08Å; L157-M173 HydrophobicContact CD2-CE 4.12Å; L157-M173 HydrophobicContact CD2-SD 3.61Å; L157-M173 HydrophobicContact CG-CE 4.16Å; L157-M173 HydrophobicContact CG-SD 3.92Å
158A31.4Very low32.1Very low40 Ų40108.4 Ų108.433%0.33155%0.545SS..  trans-12710616600000107.3T156T156-A158 PolarHBondContact O-N 3.27Å
159F37.7Very low32.3Very low14 Ų14109.8 Ų109.86%0.06154%0.543CS..  trans-94.1108.6170.7-65.7-68.3000108.5L19 L27 V65 L67 L157 F161 F167 M173L19-F159 HydrophobicContact CD1-CD1 3.62Å; L19-F159 HydrophobicContact CD1-CD2 4.02Å; L19-F159 HydrophobicContact CD1-CE1 3.43Å; L19-F159 VanDerWaalsContact CD1-CE1 3.43Å; L19-F159 HydrophobicContact CD1-CE2 3.8Å; L19-F159 HydrophobicContact CD1-CG 3.94Å; L19-F159 HydrophobicContact CD1-CZ 3.52Å; L19-F159 HydrophobicContact CD2-CD2 4.45Å; L19-F159 HydrophobicContact CD2-CE1 4.1Å; L19-F159 HydrophobicContact CD2-CE2 3.53Å; L19-F159 HydrophobicContact CD2-CZ 3.32Å; L19-F159 HydrophobicContact CG-CE1 4.4Å; L19-F159 HydrophobicContact CG-CE2 4.16Å; L19-F159 HydrophobicContact CG-CZ 4.02Å; L27-F159 HydrophobicContact CD1-CE1 3.82Å; V65-F159 HydrophobicContact CG1-CE1 4.24Å; V65-F159 HydrophobicContact CG1-CZ 3.83Å; L67-F159 HydrophobicContact CD2-CD1 4.45Å; L67-F159 HydrophobicContact CD2-CE1 4.11Å; L157-F159 HydrophobicContact CB-CE2 4.37Å; L157-F159 HydrophobicContact CD2-CD2 4.46Å; L157-F159 HydrophobicContact CD2-CE2 3.38Å; L157-F159 HydrophobicContact CD2-CZ 3.42Å; L157-F159 VanDerWaalsContact CD2-CZ 3.42Å; L157-F159 HydrophobicContact CG-CE2 4.48Å; F159-F161 HydrophobicContact CB-CD2 4.26Å; F159-F161 HydrophobicContact CB-CE2 3.66Å; F159-F161 HydrophobicContact CB-CZ 3.86Å; F159-F161 HydrophobicContact CD1-CZ 4.26Å; F159-F161 HydrophobicContact CG-CE2 4.3Å; F159-F161 HydrophobicContact CG-CZ 4.2Å; F159-F161 PolarHBondContact O-N 2.8Å; F159-F167 VanDerWaalsContact O-CD2 3.27Å; F159-F167 WeakPolarHBondContact O-CD2 3.11Å; F159-F167 WeakPolarHBondContact O-CG 3.14Å; F159-M173 HydrophobicContact CE2-SD 4.36Å
160R28.1Very low32.5Very low163 Ų163103 Ų10362%0.61551%0.51SS*.  trans-85106.3164.3-100.1-176.2-179.4-173.40.5108.4
161F38.8Very low32.7Very low49 Ų4993.4 Ų93.422%0.21547%0.474CS..  trans-99109.9157.7-58.8-53.7000106.6L19 Y28 F159L19-F161 HydrophobicContact CD1-CZ 3.92Å; Y28-F161 VanDerWaalsContact O-CZ 3.29Å; Y28-F161 WeakPolarHBondContact O-CZ 3.47Å; F159-F161 HydrophobicContact CB-CD2 4.26Å; F159-F161 HydrophobicContact CB-CE2 3.66Å; F159-F161 HydrophobicContact CB-CZ 3.86Å; F159-F161 HydrophobicContact CD1-CZ 4.26Å; F159-F161 HydrophobicContact CG-CE2 4.3Å; F159-F161 HydrophobicContact CG-CZ 4.2Å; F159-F161 PolarHBondContact O-N 2.8Å
162T32.4Very low33Very low118 Ų11883.4 Ų83.472%0.72444%0.439SS*.SBendtrans-64.7146.2170.548.80000108.6
163D30Very low33.4Very low153 Ų15379.2 Ų79.282%0.81841%0.41SS*.SBendcis-116145.330.3-76.4-41.5000115.6
164A32.1Very low33.2Very low98 Ų9879.9 Ų79.981%0.8141%0.406SS*.SBendtrans90-9.2160.200000123.1
165R32.6Very low33.2Very low219 Ų21977.7 Ų77.783%0.82639%0.394SS*.  trans-144.2139.5168.7-68.4-168.3-171.9-166.13.1115.1F167R165-F167 PolarHBondContact O-N 3.35Å
166P31.1Very low33Very low85 Ų8579.6 Ų79.655%0.55241%0.409SS*.  trans-60.2128.2163.9-12.726.2000109.1N168P166-N168 PolarHBondContact O-N 3.13Å
167F32Very low32.8Very low46 Ų4678.8 Ų78.820%0.20241%0.406CS..  trans-54.6112.9155.3-108.7-119.6000107.9F159 R165 E171F159-F167 VanDerWaalsContact O-CD2 3.27Å; F159-F167 WeakPolarHBondContact O-CD2 3.11Å; F159-F167 WeakPolarHBondContact O-CG 3.14Å; R165-F167 PolarHBondContact O-N 3.35Å; F167-E171 HydrophobicContact CD1-CB 3.53Å; F167-E171 HydrophobicContact CD1-CG 3.68Å; F167-E171 HydrophobicContact CE1-CB 3.44Å; F167-E171 VanDerWaalsContact CE1-CB 3.44Å; F167-E171 HydrophobicContact CE1-CG 3.47Å; F167-E171 VanDerWaalsContact CE1-CG 3.47Å; F167-E171 WeakPolarHBondContact CE1-OE1 3.08Å; F167-E171 WeakPolarHBondContact CE1-OE2 3.5Å; F167-E171 HydrophobicContact CZ-CG 4.16Å; F167-E171 WeakPolarHBondContact CZ-OE1 3.42Å; F167-E171 WeakPolarHBondContact CZ-OE2 3.32Å
168N30.1Very low32.4Very low79 Ų7980.5 Ų80.542%0.42242%0.424SS..  trans-72.7154.4172.2-154-10.4000108.3Q102 P166 S170Q102-N168 PolarHBondContact NE2-ND2 2.89Å; Q102-N168 PolarHBondContact NE2-OD1 3.34Å; P166-N168 PolarHBondContact O-N 3.13Å; N168-S170 PolarHBondContact O-N 3.06Å
169R31.8Very low32.3Very low198 Ų19884.9 Ų84.975%0.74745%0.446SS*.THydrogen-bonded Turntrans-64.29.8-170-94.9175166.2148-5.3115.5
170S34.2Very low31.8Very low31 Ų3188.2 Ų88.222%0.21748%0.476CS..THydrogen-bonded Turntrans-99.3-6.2-176.244.60000115.2N168 I172N168-S170 PolarHBondContact O-N 3.06Å; S170-I172 PolarHBondContact O-N 2.96Å
171E32.1Very low31.7Very low20 Ų2083.9 Ų83.99%0.09348%0.482CS..  trans-80.885.5178.6-82.9-136.4-156.700111.8G12 K13 E14 S15 F167G12-E171 WeakPolarHBondContact CA-OE2 3.49Å; K13-E171 PolarHBondContact N-OE2 3.26Å; K13-E171 VanDerWaalsContact N-OE2 3.08Å; E14-E171 WeakPolarHBondContact CA-OE1 3.29Å; E14-E171 WeakPolarHBondContact CB-OE1 3.36Å; E14-E171 HydrophobicContact CG-CG 3.92Å; E14-E171 WeakPolarHBondContact CG-OE1 3.07Å; E14-E171 PolarHBondContact N-OE1 3.13Å; E14-E171 VanDerWaalsContact N-OE1 3.1Å; S15-E171 PolarHBondContact N-OE1 2.72Å; F167-E171 HydrophobicContact CD1-CB 3.53Å; F167-E171 HydrophobicContact CD1-CG 3.68Å; F167-E171 HydrophobicContact CE1-CB 3.44Å; F167-E171 VanDerWaalsContact CE1-CB 3.44Å; F167-E171 HydrophobicContact CE1-CG 3.47Å; F167-E171 VanDerWaalsContact CE1-CG 3.47Å; F167-E171 WeakPolarHBondContact CE1-OE1 3.08Å; F167-E171 WeakPolarHBondContact CE1-OE2 3.5Å; F167-E171 HydrophobicContact CZ-CG 4.16Å; F167-E171 WeakPolarHBondContact CZ-OE1 3.42Å; F167-E171 WeakPolarHBondContact CZ-OE2 3.32Å
172I37.2Very low31.2Very low32 Ų3284.8 Ų84.816%0.16451%0.505CS..  trans-81.6129.4170.3-81.9178.4000111L91 L93 S170 Y174L91-I172 HydrophobicContact CB-CD1 3.65Å; L91-I172 HydrophobicContact CB-CG1 4.49Å; L91-I172 HydrophobicContact CD1-CD1 4.03Å; L91-I172 HydrophobicContact CG-CD1 4.49Å; L91-I172 WeakPolarHBondContact O-CG2 3.22Å; L93-I172 HydrophobicContact CB-CB 4.4Å; L93-I172 HydrophobicContact CB-CG2 4.37Å; L93-I172 HydrophobicContact CD1-CB 3.43Å; L93-I172 VanDerWaalsContact CD1-CB 3.43Å; L93-I172 HydrophobicContact CD1-CD1 3.49Å; L93-I172 VanDerWaalsContact CD1-CD1 3.49Å; L93-I172 HydrophobicContact CD1-CG1 3.62Å; L93-I172 HydrophobicContact CD1-CG2 4.27Å; L93-I172 HydrophobicContact CD2-CD1 3.23Å; L93-I172 HydrophobicContact CD2-CG1 4.29Å; L93-I172 HydrophobicContact CG-CB 3.53Å; L93-I172 HydrophobicContact CG-CD1 3.14Å; L93-I172 HydrophobicContact CG-CG1 3.69Å; L93-I172 HydrophobicContact CG-CG2 3.83Å; S170-I172 PolarHBondContact O-N 2.96Å; I172-Y174 PolarHBondContact O-N 3.42Å
173M39Very low30.9Very low22 Ų2287.3 Ų87.311%0.10851%0.511CS..  trans-66.4115-179.5-65.2-165.3-41.400110.3I10 Y51 L157 F159 A175I10-M173 HydrophobicContact CB-SD 4.35Å; I10-M173 HydrophobicContact CD1-CE 4.05Å; I10-M173 HydrophobicContact CD1-SD 3.78Å; I10-M173 HydrophobicContact CG1-CE 4.49Å; I10-M173 HydrophobicContact CG1-SD 4.1Å; I10-M173 HydrophobicContact CG2-CB 4.24Å; I10-M173 HydrophobicContact CG2-CG 3.78Å; I10-M173 HydrophobicContact CG2-SD 3.36Å; I10-M173 WeakPolarHBondContact CG2-SD 3.35Å; Y51-M173 HydrophobicContact CE2-CE 4.08Å; L157-M173 HydrophobicContact CB-CG 4.41Å; L157-M173 HydrophobicContact CB-SD 4.21Å; L157-M173 HydrophobicContact CD1-CE 3.13Å; L157-M173 HydrophobicContact CD1-CG 4.13Å; L157-M173 HydrophobicContact CD1-SD 3.48Å; L157-M173 WeakPolarHBondContact CD1-SD 3.08Å; L157-M173 HydrophobicContact CD2-CE 4.12Å; L157-M173 HydrophobicContact CD2-SD 3.61Å; L157-M173 HydrophobicContact CG-CE 4.16Å; L157-M173 HydrophobicContact CG-SD 3.92Å; F159-M173 HydrophobicContact CE2-SD 4.36Å; M173-A175 VanDerWaalsContact C-N 3.29Å; M173-A175 PolarHBondContact O-N 3.09Å
174Y31Very low30.7Very low120 Ų12087.2 Ų87.247%0.47151%0.509SS..BIsolated β-bridgetrans-67.792.3155.4-70-97.1000108.3K13 D95 I172 S176K13-Y174 HydrophobicContact CD-CE2 4.06Å; K13-Y174 PolarHBondContact NZ-OH 3.03Å; K13-Y174 VanDerWaalsContact NZ-OH 3.15Å; D95-Y174 PolarHBondContact OD1-OH 3.15Å; I172-Y174 PolarHBondContact O-N 3.42Å; Y174-S176 VanDerWaalsContact C-N 3.34Å; Y174-S176 PolarHBondContact O-N 3.04Å
175A33.3Very low30.7Very low19 Ų1998 Ų9816%0.15753%0.529CS..  trans-85.483.2159.100000107.5M173 S177M173-A175 VanDerWaalsContact C-N 3.29Å; M173-A175 PolarHBondContact O-N 3.09Å; A175-S177 PolarHBondContact O-N 3.3Å; A175-S177 VanDerWaalsContact O-N 3.13Å
176S27.5Very low30.6Very low65 Ų6592 Ų9246%0.45552%0.515SS..  trans-67.9108.2174.2175.80000109.2Y174Y174-S176 VanDerWaalsContact C-N 3.34Å; Y174-S176 PolarHBondContact O-N 3.04Å
177S30.4Very low30.6Very low60 Ų6092.4 Ų92.442%0.4251%0.513SS..  trans-89.3115161.5710000108.3A175A175-S177 PolarHBondContact O-N 3.3Å; A175-S177 VanDerWaalsContact O-N 3.13Å
178A27.9Very low30.5Very low59 Ų5994.9 Ų94.949%0.48853%0.53SS..  trans-86.2126.716800000108.9S2 A180S2-A178 PolarHBondContact OG-N 2.77Å; A178-A180 PolarHBondContact O-N 3.1Å
179V28.5Very low30.5Very low133 Ų13395.9 Ų95.981%0.80654%0.536SS*.  trans-77106.6163.8176.10000106.2G181V179-G181 PolarHBondContact O-N 3.32Å; V179-G181 VanDerWaalsContact O-N 3.09Å
180A28.4Very low30.4Very low84 Ų8489.5 Ų89.569%0.69452%0.523SS*.  trans-78.586.2161.200000107A178A178-A180 PolarHBondContact O-N 3.1Å
181G24.9Very low30.2Very low72 Ų7293.4 Ų93.474%0.74254%0.543SS*.  trans-76.3109.5158.800000107.9V179V179-G181 PolarHBondContact O-N 3.32Å; V179-G181 VanDerWaalsContact O-N 3.09Å
182G28.2Very low30.1Very low67 Ų6798.6 Ų98.669%0.69158%0.576SS**  trans-164.183.3167.700000104.6
183M26.6Very low29.5Very low171 Ų171103.8 Ų103.884%0.84261%0.607SS**  60.794.374.8-153.5156.1178.100110.7
184L25.4Very low28.7Very low151 Ų151110.6 Ų110.679%0.79165%0.649SS**  trans5598.5141.3-58.1167.6000117.6
185R32.6Very low28.5Very low326 Ų326109.7 Ų109.7100%1.2367%0.665SS**  -169.20107.8-100.2179.9178.9-173.30.2110.2

Retrieved 185 of 185 residues in 164.7 ms (Link to these results)

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