A0A060Y7T5_ONCMY Loading...

MKRN2 opposite strand, tandem duplicate 1

AlphaFold DB , UniProt , Accession A0A060Y7T5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene mkrn2os.1, Length 217 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
1M79Confident88.3Confident37 Ų3747.5 Ų47.518%0.18226%0.263CS..  095.40-78.5-167.8178.600106.5F54 A73 Y200 I201 Y204M1-F54 HydrophobicContact CE-CE2 4.31Å; M1-F54 HydrophobicContact SD-CD2 4.09Å; M1-F54 HydrophobicContact SD-CE2 3.54Å; M1-F54 VanDerWaalsContact SD-CE2 3.54Å; M1-A73 HydrophobicContact CE-CB 4.18Å; M1-Y200 HydrophobicContact SD-CD1 3.95Å; M1-Y200 HydrophobicContact SD-CE1 3.76Å; M1-I201 HydrophobicContact CE-CB 4.07Å; M1-I201 HydrophobicContact CE-CG1 3.56Å; M1-I201 HydrophobicContact CE-CG2 4.06Å; M1-I201 HydrophobicContact SD-CG1 4.49Å; M1-Y204 HydrophobicContact CB-CD2 4.35Å; M1-Y204 HydrophobicContact CB-CE2 3.9Å; M1-Y204 HydrophobicContact CE-CD1 4.41Å; M1-Y204 HydrophobicContact CE-CG 4.41Å; M1-Y204 HydrophobicContact CG-CD1 4.34Å; M1-Y204 HydrophobicContact CG-CD2 4.34Å; M1-Y204 HydrophobicContact CG-CE1 4.24Å; M1-Y204 HydrophobicContact CG-CE2 4.21Å; M1-Y204 HydrophobicContact CG-CG 4.41Å; M1-Y204 HydrophobicContact SD-CD1 4.44Å; M1-Y204 HydrophobicContact SD-CD2 4.16Å; M1-Y204 HydrophobicContact SD-CG 4.08Å
2D82.9Confident88.1Confident133 Ų13347.8 Ų47.871%0.71129%0.285SS*.  trans-117.1-5-153.3-44.5-35.3000112.1Y204D2-Y204 PolarHBondContact N-OH 3.47Å; D2-Y204 VanDerWaalsContact N-OH 3.1Å
3C88.1Confident88.2Confident55 Ų5552.7 Ų52.737%0.37230%0.295SS..SBendtrans-96.6133.9175.4-63.70000111V5 F18 Y204C3-V5 PolarHBondContact O-N 3.29Å; C3-F18 HydrophobicContact CB-CB 4.2Å; C3-F18 HydrophobicContact CB-CD1 3.37Å; C3-F18 HydrophobicContact CB-CD2 4.15Å; C3-F18 HydrophobicContact CB-CE1 3.7Å; C3-F18 HydrophobicContact CB-CE2 4.4Å; C3-F18 HydrophobicContact CB-CG 3.65Å; C3-F18 HydrophobicContact CB-CZ 4.21Å; C3-Y204 HydrophobicContact CB-CE2 4.16Å; C3-Y204 PolarHBondContact N-OH 2.94Å
4T91.6Very high88.5Confident60 Ų6052.4 Ų52.437%0.36829%0.289SS..PPolyproline II helixtrans-69.3124.7171.2-56.50000109.8L6 F18 D19 I49T4-L6 HydrophobicContact CG2-CD2 4.27Å; T4-F18 CarbonylContact O-C 3.59Å; T4-F18 WeakPolarHBondContact O-CA 3.14Å; T4-D19 HydrophobicContact CG2-CB 4.48Å; T4-D19 PolarHBondContact O-N 2.9Å; T4-I49 HydrophobicContact CG2-CB 4.43Å; T4-I49 HydrophobicContact CG2-CD1 4.34Å; T4-I49 HydrophobicContact CG2-CG1 3.99Å; T4-I49 HydrophobicContact CG2-CG2 3.75Å
5V94.1Very high88.7Confident0 Ų048.9 Ų48.90%027%0.27CS..EExtended strand (participates in β ladder)trans-85.9129.3172.81780000109.1C3 Y16 F18 V50 Y200 V203 Y204 I207C3-V5 PolarHBondContact O-N 3.29Å; V5-Y16 HydrophobicContact CG1-CD1 4.3Å; V5-F18 HydrophobicContact CG2-CD1 4.15Å; V5-F18 HydrophobicContact CG2-CE1 3.98Å; V5-V50 HydrophobicContact CB-CB 4.13Å; V5-V50 HydrophobicContact CG1-CB 3.98Å; V5-V50 HydrophobicContact CG1-CG2 3.9Å; V5-V50 PolarHBondContact O-N 3.22Å; V5-Y200 HydrophobicContact CB-CE2 4.27Å; V5-Y200 HydrophobicContact CG2-CE2 4.16Å; V5-V203 HydrophobicContact CG1-CG1 4.12Å; V5-Y204 HydrophobicContact CG2-CD2 3.86Å; V5-I207 HydrophobicContact CG1-CD1 3.78Å; V5-I207 HydrophobicContact CG2-CD1 4.25Å
6L92.8Very high89Confident6 Ų648.1 Ų48.13%0.03126%0.262CS..EExtended strand (participates in β ladder)trans-108.8147.5173.5-61.7-179.4000109.9T4 Y16 S17 D19 R30 V48 I49T4-L6 HydrophobicContact CG2-CD2 4.27Å; L6-Y16 CarbonylContact O-C 3.54Å; L6-Y16 WeakPolarHBondContact O-CA 3.39Å; L6-S17 PolarHBondContact N-O 3.37Å; L6-S17 PolarHBondContact O-N 3.29Å; L6-D19 HydrophobicContact CD1-CB 3.65Å; L6-D19 HydrophobicContact CD2-CB 4.44Å; L6-D19 HydrophobicContact CG-CB 3.91Å; L6-R30 VanDerWaalsContact CD1-CZ 3.48Å; L6-V48 CarbonylContact C-O 3.37Å; L6-V48 WeakPolarHBondContact CA-O 3.49Å; L6-I49 HydrophobicContact CD2-CB 4.41Å; L6-I49 HydrophobicContact CD2-CG1 3.64Å
7K92.6Very high89.2Confident61 Ų6146.5 Ų46.527%0.26526%0.255SS..EExtended strand (participates in β ladder)trans-123.3134.9172175-167.1168.1-167.40109.1I15 Y16 P47 V48 V50K7-I15 WeakPolarHBondContact CA-O 3.37Å; K7-Y16 HydrophobicContact CB-CD1 3.74Å; K7-Y16 HydrophobicContact CB-CE1 3.66Å; K7-Y16 HydrophobicContact CD-CE1 3.8Å; K7-Y16 HydrophobicContact CG-CD1 4.07Å; K7-Y16 HydrophobicContact CG-CE1 3.61Å; K7-P47 CarbonylContact O-C 3.49Å; K7-P47 VanDerWaalsContact O-CA 3.32Å; K7-P47 WeakPolarHBondContact O-CA 3.39Å; K7-V48 HydrophobicContact CB-CG2 4Å; K7-V48 HydrophobicContact CD-CG2 4.29Å; K7-V48 HydrophobicContact CG-CG2 4.47Å; K7-V48 PolarHBondContact N-O 3.49Å; K7-V48 PolarHBondContact O-N 2.85Å; K7-V50 HydrophobicContact CB-CG2 3.68Å
8F89.3Confident89.4Confident4 Ų445.6 Ų45.62%0.01825%0.248CC..EExtended strand (participates in β ladder)trans-147.4162.7171.354.8-85.8000110.2H10 I15 M39 F41 P47F8-H10 HydrophobicContact CD2-CB 4.3Å; F8-H10 HydrophobicContact CE2-CB 4.38Å; F8-I15 HydrophobicContact CD2-CB 4.16Å; F8-I15 HydrophobicContact CE1-CB 4.37Å; F8-I15 HydrophobicContact CE1-CG2 4.17Å; F8-I15 HydrophobicContact CE2-CB 3.66Å; F8-I15 HydrophobicContact CE2-CD1 3.93Å; F8-I15 HydrophobicContact CE2-CG1 4.31Å; F8-I15 HydrophobicContact CE2-CG2 3.86Å; F8-I15 HydrophobicContact CZ-CB 3.78Å; F8-I15 HydrophobicContact CZ-CG2 3.51Å; F8-I15 PolarHBondContact N-O 2.96Å; F8-I15 PolarHBondContact O-N 3.45Å; F8-M39 HydrophobicContact CD2-SD 3.76Å; F8-M39 HydrophobicContact CE2-CE 4.1Å; F8-M39 HydrophobicContact CE2-SD 3.19Å; F8-M39 WeakPolarHBondContact CE2-SD 3.06Å; F8-M39 HydrophobicContact CZ-CE 4Å; F8-M39 HydrophobicContact CZ-SD 3.69Å; F8-F41 HydrophobicContact CB-CE1 3.76Å; F8-F41 HydrophobicContact CB-CZ 4.23Å; F8-F41 AromaticContact CD2-CE1 3.78Å; F8-F41 HydrophobicContact CD2-CE1 3.78Å; F8-F41 HydrophobicContact CD2-CZ 4.05Å; F8-F41 AromaticContact CG-CE1 3.94Å; F8-F41 HydrophobicContact CG-CE1 3.94Å; F8-F41 HydrophobicContact CG-CZ 4.09Å; F8-P47 HydrophobicContact CB-CB 4.11Å; F8-P47 HydrophobicContact CB-CG 4.03Å
9N88.4Confident89.2Confident57 Ų5745.9 Ų45.931%0.30525%0.25SC..EExtended strand (participates in β ladder)trans-102.6131.8175.6-62.8-29.4000109.4R13 K14N9-R13 WeakPolarHBondContact CA-O 3.46Å; N9-K14 WeakPolarHBondContact OD1-CG 3.39Å
10H86.3Confident88.2Confident48 Ų4850.1 Ų50.122%0.22227%0.265CS..EExtended strand (participates in β ladder)trans-158.6155.4172.6-161.3-80.3000109.2F8 G12 R13 I15 C35F8-H10 HydrophobicContact CD2-CB 4.3Å; F8-H10 HydrophobicContact CE2-CB 4.38Å; H10-G12 PolarHBondContact O-N 3.48Å; H10-R13 PolarHBondContact N-O 2.78Å; H10-R13 VanDerWaalsContact N-O 3.07Å; H10-R13 PolarHBondContact O-N 3.15Å; H10-R13 VanDerWaalsContact O-O 3.11Å; H10-I15 HydrophobicContact CB-CD1 3.93Å; H10-C35 PolarHBondContact CE1-SG 3.41Å
11C86.1Confident86.6Confident62 Ų6252.2 Ų52.242%0.41928%0.277SS..THydrogen-bonded Turntrans54.126.6-178.6-60.90000114R13C11-R13 PolarHBondContact O-N 3.22Å
12G86.5Confident85Confident51 Ų5161.3 Ų61.353%0.52631%0.309SS..THydrogen-bonded Turntrans66.322.7-173.800000114.4H10 L217H10-G12 PolarHBondContact O-N 3.48Å; G12-L217 WeakPolarHBondContact O-CD1 3.21Å
13R89.6Confident83.1Confident111 Ų11162.8 Ų62.842%0.41932%0.316SS..EExtended strand (participates in β ladder)trans-129.4156179.5-57.4-63.9-174.9-171.410.4111.2N9 H10 C11 I15 V214 D216N9-R13 WeakPolarHBondContact CA-O 3.46Å; H10-R13 PolarHBondContact N-O 2.78Å; H10-R13 VanDerWaalsContact N-O 3.07Å; H10-R13 PolarHBondContact O-N 3.15Å; H10-R13 VanDerWaalsContact O-O 3.11Å; C11-R13 PolarHBondContact O-N 3.22Å; R13-I15 HydrophobicContact CB-CG1 4.43Å; R13-V214 HydrophobicContact CB-CG1 3.77Å; R13-V214 HydrophobicContact CG-CG1 4.02Å; R13-D216 IonicContact CZ-OD1 3.64Å; R13-D216 IonicContact NH1-OD1 3.91Å; R13-D216 PolarHBondContact NH1-OD1 2.7Å; R13-D216 IonicContact NH2-OD1 3.25Å
14K91.9Very high80.9Confident49 Ų4965.7 Ų65.721%0.21332%0.324CS..EExtended strand (participates in β ladder)trans-85.4118.9165.5-75.3157.3179.5160.50108.1N9 Y16 V214 A215 L217N9-K14 WeakPolarHBondContact OD1-CG 3.39Å; K14-Y16 HydrophobicContact CB-CE2 4.05Å; K14-V214 WeakPolarHBondContact O-CA 3.38Å; K14-A215 HydrophobicContact CB-CB 4.29Å; K14-A215 PolarHBondContact N-O 3.19Å; K14-A215 VanDerWaalsContact N-O 3.15Å; K14-A215 PolarHBondContact O-N 3.42Å; K14-L217 HydrophobicContact CD-CD2 4.12Å; K14-L217 HydrophobicContact CG-CD2 3.83Å; K14-L217 PolarHBondContact NZ-OXT 3.39Å
15I91.5Very high78.3Confident0 Ų069.6 Ų69.60%035%0.348CS..EExtended strand (participates in β ladder)trans-112.7135.1-179.7-53.9177.4000108.6K7 F8 H10 R13 P33 I34 F212 Y213K7-I15 WeakPolarHBondContact CA-O 3.37Å; F8-I15 HydrophobicContact CD2-CB 4.16Å; F8-I15 HydrophobicContact CE1-CB 4.37Å; F8-I15 HydrophobicContact CE1-CG2 4.17Å; F8-I15 HydrophobicContact CE2-CB 3.66Å; F8-I15 HydrophobicContact CE2-CD1 3.93Å; F8-I15 HydrophobicContact CE2-CG1 4.31Å; F8-I15 HydrophobicContact CE2-CG2 3.86Å; F8-I15 HydrophobicContact CZ-CB 3.78Å; F8-I15 HydrophobicContact CZ-CG2 3.51Å; F8-I15 PolarHBondContact N-O 2.96Å; F8-I15 PolarHBondContact O-N 3.45Å; H10-I15 HydrophobicContact CB-CD1 3.93Å; R13-I15 HydrophobicContact CB-CG1 4.43Å; I15-P33 HydrophobicContact CG2-CG 3.87Å; I15-I34 HydrophobicContact CD1-CD1 3.51Å; I15-I34 HydrophobicContact CD1-CG1 4.01Å; I15-I34 HydrophobicContact CG1-CD1 3.96Å; I15-F212 HydrophobicContact CG2-CD2 4.49Å; I15-Y213 WeakPolarHBondContact CA-O 3.44Å
16Y93.9Very high75.9Confident36 Ų3676.8 Ų76.814%0.14138%0.382CS..EExtended strand (participates in β ladder)trans-117.8140.1175.3-54.8-103.4000110.2V5 L6 K7 K14 V50 V203 F212 Y213 A215V5-Y16 HydrophobicContact CG1-CD1 4.3Å; L6-Y16 CarbonylContact O-C 3.54Å; L6-Y16 WeakPolarHBondContact O-CA 3.39Å; K7-Y16 HydrophobicContact CB-CD1 3.74Å; K7-Y16 HydrophobicContact CB-CE1 3.66Å; K7-Y16 HydrophobicContact CD-CE1 3.8Å; K7-Y16 HydrophobicContact CG-CD1 4.07Å; K7-Y16 HydrophobicContact CG-CE1 3.61Å; K14-Y16 HydrophobicContact CB-CE2 4.05Å; Y16-V50 HydrophobicContact CD1-CG2 3.97Å; Y16-V50 HydrophobicContact CE1-CG2 4.01Å; Y16-V203 HydrophobicContact CD1-CG1 3.91Å; Y16-V203 HydrophobicContact CG-CG1 3.85Å; Y16-F212 CarbonylContact O-C 3.55Å; Y16-F212 VanDerWaalsContact O-CA 3.24Å; Y16-F212 WeakPolarHBondContact O-CA 3.33Å; Y16-F212 WeakPolarHBondContact O-CB 3.38Å; Y16-Y213 AromaticContact CD2-CD1 3.63Å; Y16-Y213 HydrophobicContact CD2-CD1 3.63Å; Y16-Y213 HydrophobicContact CD2-CE1 4.32Å; Y16-Y213 HydrophobicContact CE2-CD1 4.16Å; Y16-Y213 HydrophobicContact CE2-CE1 4.4Å; Y16-Y213 HydrophobicContact CG-CD1 4.27Å; Y16-Y213 PolarHBondContact N-O 2.81Å; Y16-Y213 PolarHBondContact O-N 2.98Å; Y16-A215 HydrophobicContact CE2-CB 3.97Å
17S92.3Very high73.6Confident20 Ų2084.7 Ų84.714%0.1442%0.424CS..EExtended strand (participates in β ladder)trans-154.1165.417665.80000110.9L6L6-S17 PolarHBondContact N-O 3.37Å; L6-S17 PolarHBondContact O-N 3.29Å
18F92.1Very high71.7Confident30 Ų3086.5 Ų86.513%0.13244%0.44CS..EExtended strand (participates in β ladder)trans-73.6144.7170.2-64.6-41.5000110.9C3 T4 V5 K20 Y204 I207 H208C3-F18 HydrophobicContact CB-CB 4.2Å; C3-F18 HydrophobicContact CB-CD1 3.37Å; C3-F18 HydrophobicContact CB-CD2 4.15Å; C3-F18 HydrophobicContact CB-CE1 3.7Å; C3-F18 HydrophobicContact CB-CE2 4.4Å; C3-F18 HydrophobicContact CB-CG 3.65Å; C3-F18 HydrophobicContact CB-CZ 4.21Å; T4-F18 CarbonylContact O-C 3.59Å; T4-F18 WeakPolarHBondContact O-CA 3.14Å; V5-F18 HydrophobicContact CG2-CD1 4.15Å; V5-F18 HydrophobicContact CG2-CE1 3.98Å; F18-K20 PolarHBondContact O-N 3.04Å; F18-Y204 HydrophobicContact CE1-CD1 4.37Å; F18-Y204 AromaticContact CE1-CD2 3.66Å; F18-Y204 HydrophobicContact CE1-CD2 3.66Å; F18-Y204 HydrophobicContact CE1-CE1 4.28Å; F18-Y204 AromaticContact CE1-CE2 3.56Å; F18-Y204 HydrophobicContact CE1-CE2 3.56Å; F18-Y204 HydrophobicContact CE1-CG 4.07Å; F18-Y204 AromaticContact CE1-CZ 3.88Å; F18-Y204 HydrophobicContact CZ-CD1 4.03Å; F18-Y204 HydrophobicContact CZ-CD2 4.15Å; F18-Y204 AromaticContact CZ-CE1 3.83Å; F18-Y204 HydrophobicContact CZ-CE1 3.83Å; F18-Y204 AromaticContact CZ-CE2 3.97Å; F18-Y204 HydrophobicContact CZ-CE2 3.97Å; F18-Y204 HydrophobicContact CZ-CG 4.17Å; F18-Y204 AromaticContact CZ-CZ 3.79Å; F18-I207 HydrophobicContact CB-CG2 4.37Å; F18-I207 HydrophobicContact CD1-CG2 3.83Å; F18-I207 HydrophobicContact CD2-CG2 3.51Å; F18-I207 HydrophobicContact CE1-CB 4.17Å; F18-I207 HydrophobicContact CE1-CD1 4.46Å; F18-I207 HydrophobicContact CE1-CG2 3.88Å; F18-I207 HydrophobicContact CE2-CB 4.21Å; F18-I207 HydrophobicContact CE2-CG2 3.59Å; F18-I207 HydrophobicContact CG-CG2 3.63Å; F18-I207 HydrophobicContact CZ-CB 3.98Å; F18-I207 HydrophobicContact CZ-CG2 3.76Å; F18-H208 HydrophobicContact CE2-CB 4.15Å; F18-H208 HydrophobicContact CZ-CB 4.17Å
19D85.5Confident70.4Confident52 Ų5287.9 Ų87.928%0.27846%0.456SS..  trans-67.896168.2-168.44.8000110.4T4 L6 N21 R30T4-D19 HydrophobicContact CG2-CB 4.48Å; T4-D19 PolarHBondContact O-N 2.9Å; L6-D19 HydrophobicContact CD1-CB 3.65Å; L6-D19 HydrophobicContact CD2-CB 4.44Å; L6-D19 HydrophobicContact CG-CB 3.91Å; D19-N21 PolarHBondContact O-N 2.88Å; D19-N21 WeakPolarHBondContact OD1-CB 3.19Å; D19-N21 VanDerWaalsContact OD1-CG 3.26Å; D19-N21 PolarHBondContact OD1-N 2.96Å; D19-N21 PolarHBondContact OD1-ND2 3.48Å; D19-R30 IonicContact OD1-CZ 3.74Å; D19-R30 IonicContact OD1-NH2 3.4Å; D19-R30 PolarHBondContact OD1-NH2 3.31Å
20K70.3Confident69.6Low129 Ų12988.6 Ų88.656%0.56146%0.455SS*.G310 helixtrans-74.62.6178.7-63.8-174.9-179-178.90113.5F18 R22 L23F18-K20 PolarHBondContact O-N 3.04Å; K20-R22 PolarHBondContact O-N 2.87Å; K20-R22 VanDerWaalsContact O-N 3.15Å; K20-L23 PolarHBondContact O-N 2.87Å
21N53.3Low69.5Low95 Ų9593 Ų9351%0.50847%0.473SS..G310 helixtrans-72.60.1-176.5-71.2-14.5000115.3D19 L23 R30D19-N21 PolarHBondContact O-N 2.88Å; D19-N21 WeakPolarHBondContact OD1-CB 3.19Å; D19-N21 VanDerWaalsContact OD1-CG 3.26Å; D19-N21 PolarHBondContact OD1-N 2.96Å; D19-N21 PolarHBondContact OD1-ND2 3.48Å; N21-L23 VanDerWaalsContact C-N 3.31Å; N21-R30 PolarHBondContact ND2-NH2 3.21Å
22R47Very low69.5Low229 Ų22990 Ų9086%0.86445%0.453SS*.G310 helixtrans-77.4-12173.1-86.5-169.3166.7-164.5-3.4114.5K20K20-R22 PolarHBondContact O-N 2.87Å; K20-R22 VanDerWaalsContact O-N 3.15Å
23L41.6Very low69.5Low163 Ų16389.3 Ų89.385%0.85344%0.439SS*.SBendtrans-135.73.5-176.3-72.4170.3000115.5K20 N21K20-L23 PolarHBondContact O-N 2.87Å; N21-L23 VanDerWaalsContact C-N 3.31Å
24Q41.8Very low69.4Low116 Ų11687.6 Ų87.654%0.54244%0.437SS..  trans-112.695178.7-68.3-174.716.500110.6E26Q24-E26 PolarHBondContact O-N 2.72Å
25T37.2Very low69.3Low143 Ų14387.6 Ų87.688%0.87744%0.443SS*.  trans-73.512.6169.431.40000113.7
26E43.3Very low69Low150 Ų15093 Ų9370%0.70147%0.468SS*.SBendtrans-122.8133.9-176.3-61-156.7-178.500112.1Q24 T28Q24-E26 PolarHBondContact O-N 2.72Å; E26-T28 PolarHBondContact O-N 3.42Å; E26-T28 PolarHBondContact O-OG1 3.16Å
27N45.9Very low68.6Low173 Ų17397.4 Ų97.493%0.92549%0.49SS*.  trans-68.530.5-169.2-15715.3000114G29N27-G29 PolarHBondContact O-N 2.99Å
28T52.1Low68.1Low98 Ų98101.3 Ų101.360%0.60151%0.506SS*.  trans-80.797.2174.447.30000108.7E26 R30E26-T28 PolarHBondContact O-N 3.42Å; E26-T28 PolarHBondContact O-OG1 3.16Å; T28-R30 PolarHBondContact O-N 3.02Å
29G62Low67.3Low34 Ų34100.8 Ų100.835%0.35150%0.504SS..PPolyproline II helixtrans-49.4140.9177.200000111.9N27 K31N27-G29 PolarHBondContact O-N 2.99Å; G29-K31 PolarHBondContact O-N 2.92Å
30R72.5Confident66.9Low72 Ų72108.5 Ų108.527%0.27253%0.53SS..PPolyproline II helixtrans-57.4131.8-171.8-63.9-179.9176169.1-2.2111.4L6 D19 N21 T28 M39L6-R30 VanDerWaalsContact CD1-CZ 3.48Å; D19-R30 IonicContact OD1-CZ 3.74Å; D19-R30 IonicContact OD1-NH2 3.4Å; D19-R30 PolarHBondContact OD1-NH2 3.31Å; N21-R30 PolarHBondContact ND2-NH2 3.21Å; T28-R30 PolarHBondContact O-N 3.02Å; R30-M39 HydrophobicContact CB-CE 3.24Å; R30-M39 HydrophobicContact CG-CE 4.35Å; R30-M39 WeakPolarHBondContact O-CB 3.1Å; R30-M39 WeakPolarHBondContact O-CG 3.46Å; R30-M39 PolarHBondContact O-N 3.39Å
31K83.2Confident67Low139 Ų139105.4 Ų105.460%0.60452%0.516SS*.BIsolated β-bridgetrans-92.1144.6172.7-67.4-177.2176.6-1730111G29 Q36 E37G29-K31 PolarHBondContact O-N 2.92Å; K31-Q36 WeakPolarHBondContact CD-O 3.47Å; K31-E37 CarbonylContact C-O 3.59Å; K31-E37 WeakPolarHBondContact CA-O 3.34Å
32C85.8Confident68Low0 Ų0103.4 Ų103.40%051%0.51CS..PPolyproline II helixtrans-66.8128.2173.1176.50000109.3I34 Q36 E37 M39C32-I34 PolarHBondContact O-N 3.36Å; C32-I34 PolarHBondContact SG-N 3.1Å; C32-Q36 WeakPolarHBondContact O-CA 3.41Å; C32-Q36 PolarHBondContact O-N 2.86Å; C32-E37 PolarHBondContact N-O 3.32Å; C32-M39 HydrophobicContact CB-CG 3.92Å; C32-M39 HydrophobicContact CB-SD 4.09Å
33P86.4Confident69.3Low36 Ų36100.8 Ų100.823%0.23451%0.512CS..THydrogen-bonded Turntrans-67-18.9-179.627-34.2000113.4I15 Q36 F212I15-P33 HydrophobicContact CG2-CG 3.87Å; P33-Q36 PolarHBondContact O-NE2 3.42Å; P33-F212 HydrophobicContact CB-CB 4.18Å; P33-F212 HydrophobicContact CB-CD1 3.6Å; P33-F212 HydrophobicContact CB-CD2 4.11Å; P33-F212 HydrophobicContact CB-CE1 3.93Å; P33-F212 HydrophobicContact CB-CE2 4.4Å; P33-F212 HydrophobicContact CB-CG 3.69Å; P33-F212 HydrophobicContact CB-CZ 4.32Å; P33-F212 HydrophobicContact CG-CB 3.89Å; P33-F212 HydrophobicContact CG-CD1 4.15Å; P33-F212 HydrophobicContact CG-CD2 3.85Å; P33-F212 HydrophobicContact CG-CE2 4.41Å; P33-F212 HydrophobicContact CG-CG 3.69Å
34I87.9Confident70.8Confident76 Ų76100.9 Ų100.939%0.3951%0.512SS..THydrogen-bonded Turntrans-85.9-59.3-179.3-55.2178.4000111.1I15 C32 F212 V214I15-I34 HydrophobicContact CD1-CD1 3.51Å; I15-I34 HydrophobicContact CD1-CG1 4.01Å; I15-I34 HydrophobicContact CG1-CD1 3.96Å; C32-I34 PolarHBondContact O-N 3.36Å; C32-I34 PolarHBondContact SG-N 3.1Å; I34-F212 HydrophobicContact CG1-CE2 4.08Å; I34-V214 HydrophobicContact CD1-CG1 4.27Å; I34-V214 HydrophobicContact CD1-CG2 3.76Å; I34-V214 HydrophobicContact CG1-CG2 4.3Å
35C89.6Confident72.4Confident48 Ų4899.5 Ų99.532%0.32451%0.506SS..THydrogen-bonded Turntrans-101.1-3.1-173.370.40000114.1H10 E37H10-C35 PolarHBondContact CE1-SG 3.41Å; C35-E37 PolarHBondContact O-N 2.92Å
36Q86Confident74.4Confident114 Ų11494.8 Ų94.853%0.53348%0.481SS..  trans62.22.2-179.9-57-62.2-38.600116K31 C32 P33K31-Q36 WeakPolarHBondContact CD-O 3.47Å; C32-Q36 WeakPolarHBondContact O-CA 3.41Å; C32-Q36 PolarHBondContact O-N 2.86Å; P33-Q36 PolarHBondContact O-NE2 3.42Å
37E84.9Confident76.5Confident128 Ų12889.6 Ų89.660%0.59846%0.46SS*.PPolyproline II helixtrans-69.9151.9174.1-67.6-60.4155.500112.1K31 C32 C35 M39K31-E37 CarbonylContact C-O 3.59Å; K31-E37 WeakPolarHBondContact CA-O 3.34Å; C32-E37 PolarHBondContact N-O 3.32Å; C35-E37 PolarHBondContact O-N 2.92Å; E37-M39 PolarHBondContact O-N 2.81Å
38Q82.1Confident78.6Confident103 Ų10385 Ų8548%0.48144%0.439SS..BIsolated β-bridgetrans-70.3125.1176.9-166.116037.400110.2R40Q38-R40 PolarHBondContact O-N 2.81Å
39M75.6Confident80.5Confident19 Ų1985.7 Ų85.79%0.09444%0.438CS..PPolyproline II helixtrans-76121.3-176.2-61.3-171.7-69.100110.1F8 R30 C32 E37 F41F8-M39 HydrophobicContact CD2-SD 3.76Å; F8-M39 HydrophobicContact CE2-CE 4.1Å; F8-M39 HydrophobicContact CE2-SD 3.19Å; F8-M39 WeakPolarHBondContact CE2-SD 3.06Å; F8-M39 HydrophobicContact CZ-CE 4Å; F8-M39 HydrophobicContact CZ-SD 3.69Å; R30-M39 HydrophobicContact CB-CE 3.24Å; R30-M39 HydrophobicContact CG-CE 4.35Å; R30-M39 WeakPolarHBondContact O-CB 3.1Å; R30-M39 WeakPolarHBondContact O-CG 3.46Å; R30-M39 PolarHBondContact O-N 3.39Å; C32-M39 HydrophobicContact CB-CG 3.92Å; C32-M39 HydrophobicContact CB-SD 4.09Å; E37-M39 PolarHBondContact O-N 2.81Å; M39-F41 HydrophobicContact CB-CD2 4.38Å; M39-F41 HydrophobicContact CB-CE1 3.95Å; M39-F41 HydrophobicContact CB-CE2 3.63Å; M39-F41 HydrophobicContact CB-CZ 3.41Å; M39-F41 VanDerWaalsContact CB-CZ 3.41Å; M39-F41 HydrophobicContact CE-CE2 4.33Å; M39-F41 HydrophobicContact CE-CZ 3.78Å; M39-F41 HydrophobicContact CG-CZ 4.03Å; M39-F41 HydrophobicContact SD-CE1 4.1Å; M39-F41 HydrophobicContact SD-CZ 3.55Å; M39-F41 VanDerWaalsContact SD-CZ 3.55Å
40R75.8Confident82.1Confident214 Ų21485.7 Ų85.781%0.80843%0.431SS*.  trans-113.6110.9170-64.9-177.3-178.71781.2107Q38Q38-R40 PolarHBondContact O-N 2.81Å
41F72.3Confident83.1Confident63 Ų6387.2 Ų87.228%0.27645%0.45SS..  trans-95.3127.5-177.7-56.5-70.9000109.7F8 M39 E45 P47F8-F41 HydrophobicContact CB-CE1 3.76Å; F8-F41 HydrophobicContact CB-CZ 4.23Å; F8-F41 AromaticContact CD2-CE1 3.78Å; F8-F41 HydrophobicContact CD2-CE1 3.78Å; F8-F41 HydrophobicContact CD2-CZ 4.05Å; F8-F41 AromaticContact CG-CE1 3.94Å; F8-F41 HydrophobicContact CG-CE1 3.94Å; F8-F41 HydrophobicContact CG-CZ 4.09Å; M39-F41 HydrophobicContact CB-CD2 4.38Å; M39-F41 HydrophobicContact CB-CE1 3.95Å; M39-F41 HydrophobicContact CB-CE2 3.63Å; M39-F41 HydrophobicContact CB-CZ 3.41Å; M39-F41 VanDerWaalsContact CB-CZ 3.41Å; M39-F41 HydrophobicContact CE-CE2 4.33Å; M39-F41 HydrophobicContact CE-CZ 3.78Å; M39-F41 HydrophobicContact CG-CZ 4.03Å; M39-F41 HydrophobicContact SD-CE1 4.1Å; M39-F41 HydrophobicContact SD-CZ 3.55Å; M39-F41 VanDerWaalsContact SD-CZ 3.55Å; F41-E45 HydrophobicContact CD1-CB 4.44Å; F41-E45 WeakPolarHBondContact CD1-O 3.4Å; F41-P47 HydrophobicContact CD1-CG 4.26Å; F41-P47 VanDerWaalsContact CD2-CD 3.5Å; F41-P47 HydrophobicContact CD2-CG 3.75Å; F41-P47 HydrophobicContact CE1-CG 3.95Å; F41-P47 HydrophobicContact CE2-CG 3.39Å; F41-P47 HydrophobicContact CG-CG 4.15Å; F41-P47 HydrophobicContact CZ-CG 3.48Å; F41-P47 VanDerWaalsContact CZ-CG 3.48Å
42S75.8Confident83.6Confident54 Ų5483.4 Ų83.438%0.37844%0.44SS..  trans-68.4166.815867.80000109.8L44 E45 A46S42-L44 PolarHBondContact O-N 3.04Å; S42-L44 VanDerWaalsContact O-N 3.16Å; S42-E45 WeakPolarHBondContact CB-OE2 3.24Å; S42-E45 CarbonylContact O-C 3.59Å; S42-E45 PolarHBondContact O-N 2.87Å; S42-E45 WeakPolarHBondContact OG-CG 3.16Å; S42-E45 PolarHBondContact OG-N 2.84Å; S42-E45 PolarHBondContact OG-OE2 2.95Å; S42-A46 PolarHBondContact O-N 2.86Å
43L73.9Confident84.1Confident174 Ų17484.8 Ų84.891%0.91145%0.449SS*.THydrogen-bonded Turntrans-55.5-32.1174.9-78.6168.5000112.9
44L72.6Confident84.5Confident164 Ų16484 Ų8486%0.85944%0.442SS*.THydrogen-bonded Turntrans-79.6-20.7179.3-65.1174.6000113.3S42S42-L44 PolarHBondContact O-N 3.04Å; S42-L44 VanDerWaalsContact O-N 3.16Å
45E74.8Confident84.8Confident88 Ų8882.7 Ų82.741%0.41144%0.439SS..THydrogen-bonded Turntrans-107.44-177.9-64.6164.8139.300112.2F41 S42F41-E45 HydrophobicContact CD1-CB 4.44Å; F41-E45 WeakPolarHBondContact CD1-O 3.4Å; S42-E45 WeakPolarHBondContact CB-OE2 3.24Å; S42-E45 CarbonylContact O-C 3.59Å; S42-E45 PolarHBondContact O-N 2.87Å; S42-E45 WeakPolarHBondContact OG-CG 3.16Å; S42-E45 PolarHBondContact OG-N 2.84Å; S42-E45 PolarHBondContact OG-OE2 2.95Å
46A80.4Confident85.1Confident43 Ų4382.3 Ų82.336%0.35543%0.434SS..  trans-53.8135.9179.700000110.7S42 V48S42-A46 PolarHBondContact O-N 2.86Å; A46-V48 PolarHBondContact O-N 2.88Å
47P86.8Confident85.5Confident41 Ų4176.9 Ų76.927%0.26641%0.409SS..  trans-58.9130.1175.5-23.533.2000110.8K7 F8 F41K7-P47 CarbonylContact O-C 3.49Å; K7-P47 VanDerWaalsContact O-CA 3.32Å; K7-P47 WeakPolarHBondContact O-CA 3.39Å; F8-P47 HydrophobicContact CB-CB 4.11Å; F8-P47 HydrophobicContact CB-CG 4.03Å; F41-P47 HydrophobicContact CD1-CG 4.26Å; F41-P47 VanDerWaalsContact CD2-CD 3.5Å; F41-P47 HydrophobicContact CD2-CG 3.75Å; F41-P47 HydrophobicContact CE1-CG 3.95Å; F41-P47 HydrophobicContact CE2-CG 3.39Å; F41-P47 HydrophobicContact CG-CG 4.15Å; F41-P47 HydrophobicContact CZ-CG 3.48Å; F41-P47 VanDerWaalsContact CZ-CG 3.48Å
48V90.6Very high86Confident78 Ų7872.3 Ų72.347%0.47339%0.387SS..EExtended strand (participates in β ladder)trans-109.2143.3176.1-61.50000110.1L6 K7 A46 V50L6-V48 CarbonylContact C-O 3.37Å; L6-V48 WeakPolarHBondContact CA-O 3.49Å; K7-V48 HydrophobicContact CB-CG2 4Å; K7-V48 HydrophobicContact CD-CG2 4.29Å; K7-V48 HydrophobicContact CG-CG2 4.47Å; K7-V48 PolarHBondContact N-O 3.49Å; K7-V48 PolarHBondContact O-N 2.85Å; A46-V48 PolarHBondContact O-N 2.88Å; V48-V50 PolarHBondContact O-N 3.07Å
49I92.6Very high86.6Confident112 Ų11275.4 Ų75.457%0.57440%0.399SS*.EExtended strand (participates in β ladder)trans-70.7128.1170.8-66.4169.7000108T4 L6 P51T4-I49 HydrophobicContact CG2-CB 4.43Å; T4-I49 HydrophobicContact CG2-CD1 4.34Å; T4-I49 HydrophobicContact CG2-CG1 3.99Å; T4-I49 HydrophobicContact CG2-CG2 3.75Å; L6-I49 HydrophobicContact CD2-CB 4.41Å; L6-I49 HydrophobicContact CD2-CG1 3.64Å; I49-P51 WeakPolarHBondContact O-CD 3.41Å
50V94.5Very high87.4Confident33 Ų3376 Ų7620%0.240%0.404CS..PPolyproline II helixtrans-80.1117.1168.3-177.40000107.3V5 K7 Y16 V48 C52 Y200V5-V50 HydrophobicContact CB-CB 4.13Å; V5-V50 HydrophobicContact CG1-CB 3.98Å; V5-V50 HydrophobicContact CG1-CG2 3.9Å; V5-V50 PolarHBondContact O-N 3.22Å; K7-V50 HydrophobicContact CB-CG2 3.68Å; Y16-V50 HydrophobicContact CD1-CG2 3.97Å; Y16-V50 HydrophobicContact CE1-CG2 4.01Å; V48-V50 PolarHBondContact O-N 3.07Å; V50-C52 PolarHBondContact O-N 3.07Å; V50-Y200 HydrophobicContact CB-CE2 4.46Å; V50-Y200 HydrophobicContact CG1-CD2 3.91Å; V50-Y200 HydrophobicContact CG1-CE2 3.99Å
51P93.8Very high88.1Confident104 Ų10470.3 Ų70.368%0.67538%0.382SS*.PPolyproline II helixtrans-58.5132.2-178.8-24.134.8000111.2I49 Y200I49-P51 WeakPolarHBondContact O-CD 3.41Å; P51-Y200 WeakPolarHBondContact O-CE2 3.16Å
52C94.1Very high89.1Confident59 Ų5967.3 Ų67.340%0.39937%0.369SS..PPolyproline II helixtrans-69.5126.5170.2-1740000108.6V50 F54V50-C52 PolarHBondContact O-N 3.07Å; C52-F54 PolarHBondContact O-N 2.83Å
53P95.1Very high90Very high29 Ų2964.7 Ų64.719%0.18835%0.351CS..SBendtrans-75.4-16.7179.629.6-32.9000112.5L113 T196 A197 Y200P53-L113 HydrophobicContact CB-CD2 4.1Å; P53-T196 HydrophobicContact CB-CG2 4.33Å; P53-A197 HydrophobicContact CG-CB 4.33Å; P53-Y200 VanDerWaalsContact CD-CG 3.42Å; P53-Y200 HydrophobicContact CG-CD1 4.16Å; P53-Y200 HydrophobicContact CG-CD2 4.45Å; P53-Y200 HydrophobicContact CG-CG 3.89Å
54F95.3Very high91Very high19 Ų1956.4 Ų56.48%0.08331%0.308CS..  trans-86.6138.2178.2-48.1-67.2000110.6M1 C52 P72 L75 C112 L113 A197 Y200 I201M1-F54 HydrophobicContact CE-CE2 4.31Å; M1-F54 HydrophobicContact SD-CD2 4.09Å; M1-F54 HydrophobicContact SD-CE2 3.54Å; M1-F54 VanDerWaalsContact SD-CE2 3.54Å; C52-F54 PolarHBondContact O-N 2.83Å; F54-P72 HydrophobicContact CD1-CB 3.75Å; F54-P72 HydrophobicContact CD2-CB 3.9Å; F54-P72 HydrophobicContact CE1-CB 3.85Å; F54-P72 HydrophobicContact CE2-CB 3.99Å; F54-P72 HydrophobicContact CG-CB 3.79Å; F54-P72 HydrophobicContact CZ-CB 3.97Å; F54-P72 WeakPolarHBondContact CZ-O 3.49Å; F54-L75 HydrophobicContact CD1-CD1 3.96Å; F54-L75 HydrophobicContact CE1-CB 3.9Å; F54-L75 HydrophobicContact CE1-CD1 3.71Å; F54-L75 HydrophobicContact CE1-CG 4.39Å; F54-C112 WeakPolarHBondContact CA-O 3.34Å; F54-L113 HydrophobicContact CD1-CD2 3.68Å; F54-L113 HydrophobicContact CD1-CG 4.34Å; F54-L113 HydrophobicContact CE1-CD2 3.67Å; F54-L113 HydrophobicContact CE1-CG 4.27Å; F54-A197 HydrophobicContact CE1-CB 4.09Å; F54-A197 HydrophobicContact CZ-CB 4.07Å; F54-Y200 HydrophobicContact CE2-CD1 4.25Å; F54-I201 HydrophobicContact CE2-CG1 4.24Å; F54-I201 HydrophobicContact CZ-CD1 3.88Å; F54-I201 HydrophobicContact CZ-CG1 3.85Å
55S94.3Very high92.2Very high49 Ų4948.6 Ų48.634%0.34327%0.267SS..BIsolated β-bridgetrans-144.1171.6177.654.50000110.3G57 E110 C112 C114S55-G57 PolarHBondContact O-N 3.29Å; S55-E110 CarbonylContact C-O 3.6Å; S55-E110 CarbonylContact O-C 3.57Å; S55-E110 VanDerWaalsContact O-O 3.12Å; S55-C112 PolarHBondContact N-O 2.96Å; S55-C112 PolarHBondContact O-N 3.38Å; S55-C112 VanDerWaalsContact O-N 3.13Å; S55-C114 PolarHBondContact OG-SG 2.74Å
56N95.6Very high93.2Very high41 Ų4144.6 Ų44.622%0.21925%0.248CC..  trans-83.1108.1178.1-177.5-33.5000109.6H58 K59 E110N56-H58 PolarHBondContact O-N 2.71Å; N56-H58 WeakPolarHBondContact OD1-CA 3.32Å; N56-H58 VanDerWaalsContact OD1-CB 3.24Å; N56-H58 WeakPolarHBondContact OD1-CB 3.31Å; N56-H58 PolarHBondContact OD1-N 3.17Å; N56-K59 HydrophobicContact CB-CD 4.14Å; N56-K59 HydrophobicContact CB-CG 4.16Å; N56-K59 WeakPolarHBondContact O-CB 3.3Å; N56-K59 PolarHBondContact O-N 2.82Å; N56-E110 WeakPolarHBondContact CA-O 3.34Å; N56-E110 PolarHBondContact N-O 3.26Å
57G95.1Very high93.8Very high0 Ų042.9 Ų42.90%024%0.235CC..G310 helixtrans-57.9-34179.100000113.3S55 K59 V60 T88 W109S55-G57 PolarHBondContact O-N 3.29Å; G57-K59 PolarHBondContact O-N 3.49Å; G57-V60 PolarHBondContact O-N 3.38Å; G57-V60 VanDerWaalsContact O-O 3.07Å; G57-T88 WeakPolarHBondContact O-CG2 3.39Å; G57-W109 PolarHBondContact N-O 2.88Å
58H96.1Very high94Very high31 Ų3141.8 Ų41.814%0.14423%0.228CC..G310 helixtrans-65.6-11175-52.8-69.2000113.5N56 G92 E105 Q107 W109 E110N56-H58 PolarHBondContact O-N 2.71Å; N56-H58 WeakPolarHBondContact OD1-CA 3.32Å; N56-H58 VanDerWaalsContact OD1-CB 3.24Å; N56-H58 WeakPolarHBondContact OD1-CB 3.31Å; N56-H58 PolarHBondContact OD1-N 3.17Å; H58-G92 WeakPolarHBondContact CA-O 3.4Å; H58-G92 WeakPolarHBondContact CB-O 3.41Å; H58-G92 PolarHBondContact ND1-O 3.24Å; H58-G92 VanDerWaalsContact O-CA 3.3Å; H58-G92 WeakPolarHBondContact O-CA 3.35Å; H58-E105 PolarHBondContact CE1-O 3.05Å; H58-E105 VanDerWaalsContact CE1-O 3.27Å; H58-Q107 PolarHBondContact CE1-N 2.9Å; H58-Q107 VanDerWaalsContact NE2-C 3.35Å; H58-Q107 VanDerWaalsContact NE2-CA 3.3Å; H58-Q107 WeakPolarHBondContact NE2-CA 3.41Å; H58-Q107 PolarHBondContact NE2-N 2.71Å; H58-W109 AromaticContact CE1-CD1 3.95Å; H58-W109 WeakPolarHBondContact NE2-CB 3.29Å; H58-W109 PolarHBondContact NE2-N 2.9Å; H58-E110 IonicContact CD2-OE1 2.71Å; H58-E110 IonicContact NE2-OE1 3.98Å
59K94.3Very high93.7Very high168 Ų16843.3 Ų43.373%0.7324%0.242SC*.G310 helixtrans-100.7-9.9173.3-60-175.8-177.9178.20113.1N56 G57N56-K59 HydrophobicContact CB-CD 4.14Å; N56-K59 HydrophobicContact CB-CG 4.16Å; N56-K59 WeakPolarHBondContact O-CB 3.3Å; N56-K59 PolarHBondContact O-N 2.82Å; G57-K59 PolarHBondContact O-N 3.49Å
60V92.3Very high93.4Very high31 Ų3143 Ų4319%0.18824%0.241CC..SBendtrans-104.4114.6-179.8-1680000109.2G57 A63 T88 C114 P116G57-V60 PolarHBondContact O-N 3.38Å; G57-V60 VanDerWaalsContact O-O 3.07Å; V60-A63 HydrophobicContact CB-CB 4.24Å; V60-A63 HydrophobicContact CG1-CB 3.67Å; V60-T88 WeakPolarHBondContact O-CB 3.27Å; V60-T88 WeakPolarHBondContact O-CG2 3.37Å; V60-T88 PolarHBondContact O-OG1 3.42Å; V60-C114 HydrophobicContact CB-CB 4.11Å; V60-C114 HydrophobicContact CG1-CB 4.09Å; V60-C114 HydrophobicContact CG2-CB 3.83Å; V60-P116 HydrophobicContact CG1-CB 4.4Å; V60-P116 HydrophobicContact CG1-CG 3.98Å
61R90.3Very high93.2Very high95 Ų9542.5 Ų42.536%0.35824%0.243SC..  trans-83.5146.8-173.6-58180-173.2139.59.3111.6A63 S90 S123 R124R61-A63 VanDerWaalsContact C-N 3.26Å; R61-A63 PolarHBondContact O-N 2.87Å; R61-S90 VanDerWaalsContact CD-O 3.22Å; R61-S90 WeakPolarHBondContact CD-O 3.2Å; R61-S90 WeakPolarHBondContact CG-O 3.45Å; R61-S90 PolarHBondContact NE-O 2.94Å; R61-S123 WeakPolarHBondContact CD-OG 3.3Å; R61-R124 VanDerWaalsContact CZ-CD 3.46Å; R61-R124 VanDerWaalsContact NH1-CB 3.25Å
62C92Very high93Very high0 Ų038.1 Ų38.10%021%0.214CC..SBendtrans47.551.6172.8-51.50000111.7T88 L117 V118 W132C62-T88 VanDerWaalsContact CA-O 3.32Å; C62-T88 WeakPolarHBondContact CA-O 3.33Å; C62-T88 PolarHBondContact N-O 3.47Å; C62-T88 PolarHBondContact N-OG1 3.35Å; C62-T88 VanDerWaalsContact N-OG1 3.15Å; C62-L117 WeakPolarHBondContact O-CB 3.45Å; C62-L117 PolarHBondContact O-N 3.18Å; C62-L117 VanDerWaalsContact O-N 3.1Å; C62-V118 HydrophobicContact CB-CB 3.97Å; C62-V118 HydrophobicContact CB-CG2 3.44Å; C62-V118 VanDerWaalsContact CB-CG2 3.44Å; C62-W132 HydrophobicContact CB-CD2 3.9Å; C62-W132 HydrophobicContact CB-CE3 4.29Å; C62-W132 HydrophobicContact CB-CG 4.28Å; C62-W132 HydrophobicContact CB-CH2 4.36Å; C62-W132 HydrophobicContact CB-CZ2 3.94Å
63A95Very high92.8Very high0 Ų036.8 Ų36.80%021%0.208CC..EExtended strand (participates in β ladder)trans-123.5149.7-170.300000111.1V60 R61 L65 V87 T88 V115V60-A63 HydrophobicContact CB-CB 4.24Å; V60-A63 HydrophobicContact CG1-CB 3.67Å; R61-A63 VanDerWaalsContact C-N 3.26Å; R61-A63 PolarHBondContact O-N 2.87Å; A63-L65 HydrophobicContact CB-CD2 4.09Å; A63-V87 WeakPolarHBondContact O-CA 3.42Å; A63-T88 PolarHBondContact N-OG1 3.02Å; A63-T88 PolarHBondContact O-N 3.36Å; A63-V115 WeakPolarHBondContact CA-O 3.39Å; A63-V115 WeakPolarHBondContact CB-O 3.19Å
64F96.4Very high92.5Very high0 Ų038.8 Ų38.80%021%0.213CC..EExtended strand (participates in β ladder)trans-88.3124.2166.6-175.8-81.3000108.4I66 V85 V115 L117 Y161 A164 L168 F185 V190F64-I66 HydrophobicContact CD1-CG1 4.04Å; F64-I66 HydrophobicContact CE1-CD1 4.33Å; F64-I66 HydrophobicContact CE1-CG1 3.73Å; F64-V85 HydrophobicContact CD1-CG1 4.36Å; F64-V85 HydrophobicContact CD2-CG1 4.1Å; F64-V85 HydrophobicContact CE1-CG1 3.71Å; F64-V85 HydrophobicContact CE1-CG2 4.16Å; F64-V85 HydrophobicContact CE2-CG1 3.43Å; F64-V85 VanDerWaalsContact CE2-CG1 3.43Å; F64-V85 HydrophobicContact CZ-CB 4.25Å; F64-V85 HydrophobicContact CZ-CG1 3.2Å; F64-V85 HydrophobicContact CZ-CG2 3.97Å; F64-V115 HydrophobicContact CB-CB 4.23Å; F64-V115 PolarHBondContact N-O 3.31Å; F64-V115 WeakPolarHBondContact O-CB 3.4Å; F64-V115 PolarHBondContact O-N 2.62Å; F64-L117 HydrophobicContact CB-CD1 3.84Å; F64-L117 HydrophobicContact CB-CG 4.27Å; F64-Y161 AromaticContact CZ-CD2 3.99Å; F64-Y161 HydrophobicContact CZ-CD2 3.99Å; F64-Y161 AromaticContact CZ-CE2 3.81Å; F64-Y161 HydrophobicContact CZ-CE2 3.81Å; F64-A164 HydrophobicContact CD2-CB 3.97Å; F64-A164 HydrophobicContact CE2-CB 3.57Å; F64-L168 HydrophobicContact CD2-CD1 4.05Å; F64-F185 HydrophobicContact CB-CZ 4.35Å; F64-F185 HydrophobicContact CD1-CE1 4.18Å; F64-F185 AromaticContact CD2-CE1 3.82Å; F64-F185 HydrophobicContact CD2-CE1 3.82Å; F64-F185 AromaticContact CD2-CZ 3.85Å; F64-F185 HydrophobicContact CD2-CZ 3.85Å; F64-F185 HydrophobicContact CE1-CE1 4.13Å; F64-F185 AromaticContact CE2-CE1 3.74Å; F64-F185 HydrophobicContact CE2-CE1 3.74Å; F64-F185 HydrophobicContact CE2-CZ 4.2Å; F64-F185 HydrophobicContact CG-CE1 4.02Å; F64-F185 HydrophobicContact CG-CZ 4.05Å; F64-F185 AromaticContact CZ-CE1 3.9Å; F64-F185 HydrophobicContact CZ-CE1 3.9Å; F64-V190 HydrophobicContact CE1-CG2 3.99Å; F64-V190 HydrophobicContact CZ-CG2 4.47Å
65L97.1Very high92.1Very high0 Ų038 Ų380%021%0.21CC..EExtended strand (participates in β ladder)trans-108.1143.1-176.5-55.8-169.2000110.7A63 V85 G86 T88 V94 W109 L113 C114A63-L65 HydrophobicContact CB-CD2 4.09Å; L65-V85 WeakPolarHBondContact O-CA 3.49Å; L65-G86 PolarHBondContact N-O 3.15Å; L65-G86 PolarHBondContact O-N 3.46Å; L65-G86 VanDerWaalsContact O-N 3.16Å; L65-T88 HydrophobicContact CD1-CG2 3.48Å; L65-T88 VanDerWaalsContact CD1-CG2 3.48Å; L65-T88 HydrophobicContact CD2-CG2 4.11Å; L65-T88 HydrophobicContact CG-CG2 3.84Å; L65-V94 HydrophobicContact CD1-CG1 4.1Å; L65-V94 HydrophobicContact CD1-CG2 3.58Å; L65-W109 HydrophobicContact CB-CE3 3.62Å; L65-W109 HydrophobicContact CB-CZ3 3.64Å; L65-W109 HydrophobicContact CD1-CB 4.01Å; L65-W109 HydrophobicContact CD1-CD2 3.99Å; L65-W109 HydrophobicContact CD1-CE3 3.74Å; L65-W109 HydrophobicContact CD1-CG 4.13Å; L65-W109 HydrophobicContact CG-CE3 4.38Å; L65-L113 WeakPolarHBondContact CA-O 3.39Å; L65-C114 HydrophobicContact CD2-CB 3.97Å; L65-C114 VanDerWaalsContact CD2-SG 3.54Å
66I95.2Very high91.5Very high3 Ų336.2 Ų36.22%0.01520%0.197CC..EExtended strand (participates in β ladder)trans-125.3118.3173-50.5149.6000107.7F64 L75 L83 H84 C112 L113 V115 V190 V194F64-I66 HydrophobicContact CD1-CG1 4.04Å; F64-I66 HydrophobicContact CE1-CD1 4.33Å; F64-I66 HydrophobicContact CE1-CG1 3.73Å; I66-L75 HydrophobicContact CG2-CD2 4.23Å; I66-L83 HydrophobicContact CG2-CD1 4.43Å; I66-L83 HydrophobicContact CG2-CD2 4.47Å; I66-H84 WeakPolarHBondContact CA-O 3.48Å; I66-C112 WeakPolarHBondContact O-CA 3.34Å; I66-C112 VanDerWaalsContact O-CB 3.3Å; I66-C112 WeakPolarHBondContact O-CB 3.39Å; I66-L113 HydrophobicContact CB-CB 4.19Å; I66-L113 HydrophobicContact CD1-CB 4.35Å; I66-L113 HydrophobicContact CD1-CD1 4.48Å; I66-L113 PolarHBondContact N-O 3.24Å; I66-L113 PolarHBondContact O-N 2.55Å; I66-V115 HydrophobicContact CD1-CG2 4.47Å; I66-V190 HydrophobicContact CD1-CB 4.37Å; I66-V190 HydrophobicContact CD1-CG1 3.79Å; I66-V190 HydrophobicContact CD1-CG2 4.34Å; I66-V194 HydrophobicContact CD1-CG2 4.41Å
67G93.3Very high90.6Very high7 Ų739 Ų397%0.07221%0.209CC..EExtended strand (participates in β ladder)trans-129.7173.6-177.100000111.7H84G67-H84 PolarHBondContact N-O 3.35Å; G67-H84 PolarHBondContact O-N 3.45Å
68S90.3Very high89.5Confident19 Ų1947.8 Ų47.813%0.13324%0.243CC..EExtended strand (participates in β ladder)trans-143.5137.5170.9179.90000108.2L70 G71S68-L70 PolarHBondContact O-N 2.83Å; S68-L70 PolarHBondContact OG-N 3.38Å; S68-G71 PolarHBondContact O-N 3.25Å
69S84.6Confident88.1Confident110 Ų11049.8 Ų49.877%0.76925%0.252SS*.THydrogen-bonded Turntrans-62.7-21174.954.30000112.7G71S69-G71 VanDerWaalsContact C-N 3.31Å
70L87.8Confident86.8Confident105 Ų10550.3 Ų50.355%0.5526%0.263SS..THydrogen-bonded Turntrans-86-4.5177.2-55.4179000112.7S68 F74S68-L70 PolarHBondContact O-N 2.83Å; S68-L70 PolarHBondContact OG-N 3.38Å; L70-F74 HydrophobicContact CB-CB 4.02Å; L70-F74 HydrophobicContact CB-CD1 3.99Å; L70-F74 HydrophobicContact CB-CD2 3.34Å; L70-F74 HydrophobicContact CB-CE1 4.29Å; L70-F74 HydrophobicContact CB-CE2 3.68Å; L70-F74 HydrophobicContact CB-CG 3.51Å; L70-F74 HydrophobicContact CB-CZ 4.14Å; L70-F74 HydrophobicContact CD1-CD1 3.72Å; L70-F74 HydrophobicContact CD1-CE1 3.9Å; L70-F74 HydrophobicContact CD1-CG 4.08Å; L70-F74 HydrophobicContact CD1-CZ 4.4Å; L70-F74 HydrophobicContact CG-CG 4.45Å; L70-F74 WeakPolarHBondContact O-CD2 3.48Å; L70-F74 VanDerWaalsContact O-CE2 3.29Å; L70-F74 WeakPolarHBondContact O-CE2 3.34Å
71G88.9Confident85.6Confident23 Ų2349.8 Ų49.824%0.23726%0.261CS..  trans95.4176.8178.600000114.5S68 S69 A73 F74S68-G71 PolarHBondContact O-N 3.25Å; S69-G71 VanDerWaalsContact C-N 3.31Å; G71-A73 VanDerWaalsContact C-N 3.26Å; G71-A73 PolarHBondContact O-N 3Å; G71-A73 VanDerWaalsContact O-N 3.17Å; G71-F74 PolarHBondContact O-N 3.44Å
72P89.9Confident84.9Confident11 Ų1152 Ų527%0.07128%0.275CS..G310 helixtrans-67.2-21.7-167.826.2-36.7000114.4F54 F74 L75 Q111 I201F54-P72 HydrophobicContact CD1-CB 3.75Å; F54-P72 HydrophobicContact CD2-CB 3.9Å; F54-P72 HydrophobicContact CE1-CB 3.85Å; F54-P72 HydrophobicContact CE2-CB 3.99Å; F54-P72 HydrophobicContact CG-CB 3.79Å; F54-P72 HydrophobicContact CZ-CB 3.97Å; F54-P72 WeakPolarHBondContact CZ-O 3.49Å; P72-F74 PolarHBondContact O-N 3.44Å; P72-L75 WeakPolarHBondContact O-CB 3.48Å; P72-L75 PolarHBondContact O-N 3.44Å; P72-Q111 HydrophobicContact CB-CB 4.29Å; P72-Q111 HydrophobicContact CG-CB 4.03Å; P72-I201 WeakPolarHBondContact O-CD1 3.27Å
73A89.4Confident84.6Confident31 Ų3155.3 Ų55.326%0.25629%0.292SS..G310 helixtrans-64-20.8175.200000112.9M1 G71 Q79M1-A73 HydrophobicContact CE-CB 4.18Å; G71-A73 VanDerWaalsContact C-N 3.26Å; G71-A73 PolarHBondContact O-N 3Å; G71-A73 VanDerWaalsContact O-N 3.17Å; A73-Q79 PolarHBondContact O-OE1 2.96Å
74F89.3Confident84.4Confident71 Ų7157.5 Ų57.531%0.31130%0.303SS..G310 helixtrans-94.45.2179.6-63.5-96000113.5L70 G71 P72 C76 Q79 S81L70-F74 HydrophobicContact CB-CB 4.02Å; L70-F74 HydrophobicContact CB-CD1 3.99Å; L70-F74 HydrophobicContact CB-CD2 3.34Å; L70-F74 HydrophobicContact CB-CE1 4.29Å; L70-F74 HydrophobicContact CB-CE2 3.68Å; L70-F74 HydrophobicContact CB-CG 3.51Å; L70-F74 HydrophobicContact CB-CZ 4.14Å; L70-F74 HydrophobicContact CD1-CD1 3.72Å; L70-F74 HydrophobicContact CD1-CE1 3.9Å; L70-F74 HydrophobicContact CD1-CG 4.08Å; L70-F74 HydrophobicContact CD1-CZ 4.4Å; L70-F74 HydrophobicContact CG-CG 4.45Å; L70-F74 WeakPolarHBondContact O-CD2 3.48Å; L70-F74 VanDerWaalsContact O-CE2 3.29Å; L70-F74 WeakPolarHBondContact O-CE2 3.34Å; G71-F74 PolarHBondContact O-N 3.44Å; P72-F74 PolarHBondContact O-N 3.44Å; F74-C76 PolarHBondContact O-N 3.13Å; F74-Q79 VanDerWaalsContact CA-OE1 3.29Å; F74-S81 WeakPolarHBondContact O-CB 3.24Å; F74-S81 PolarHBondContact O-OG 2.94Å
75L87.5Confident84.3Confident2 Ų257.7 Ų57.71%0.0130%0.304CS..  trans-9050.5174.8-65.5176.6000111F54 I66 P72 L83 L113 A197 I201F54-L75 HydrophobicContact CD1-CD1 3.96Å; F54-L75 HydrophobicContact CE1-CB 3.9Å; F54-L75 HydrophobicContact CE1-CD1 3.71Å; F54-L75 HydrophobicContact CE1-CG 4.39Å; I66-L75 HydrophobicContact CG2-CD2 4.23Å; P72-L75 WeakPolarHBondContact O-CB 3.48Å; P72-L75 PolarHBondContact O-N 3.44Å; L75-L83 HydrophobicContact CD2-CD2 3.53Å; L75-L113 HydrophobicContact CD1-CG 4.24Å; L75-A197 WeakPolarHBondContact O-CB 3.43Å; L75-I201 WeakPolarHBondContact O-CD1 3.4Å
76C81.3Confident84.3Confident12 Ų1257.7 Ų57.78%0.08130%0.304CS..SBendtrans-127.8158.1179.568.20000113.2F74 W78 S198 I201F74-C76 PolarHBondContact O-N 3.13Å; C76-W78 PolarHBondContact O-N 3.37Å; C76-S198 VanDerWaalsContact CA-OG 3.27Å; C76-S198 WeakPolarHBondContact CA-OG 3.3Å; C76-I201 HydrophobicContact CB-CD1 3.65Å
77E76.1Confident84.3Confident99 Ų9957.6 Ų57.646%0.46330%0.303SS..THydrogen-bonded Turntrans-69.8-14.2-179.870.3-167.314400114.1S198E77-S198 PolarHBondContact N-OG 2.79Å
78W71.9Confident84.5Confident186 Ų18657.2 Ų57.271%0.70530%0.299SS*.THydrogen-bonded Turntrans-95.7-6.3-173.4-50.8106.9000113.7C76C76-W78 PolarHBondContact O-N 3.37Å
79Q67.9Low84.7Confident72 Ų7256.7 Ų56.734%0.33630%0.295SS..SBendtrans-115.5132.2178.8-76.2169.9-1.700109A73 F74 S81A73-Q79 PolarHBondContact O-OE1 2.96Å; F74-Q79 VanDerWaalsContact CA-OE1 3.29Å; Q79-S81 PolarHBondContact O-N 3.06Å
80D66.1Low85Confident179 Ų17952.1 Ų52.196%0.95726%0.263SS*.  trans-78.958.5171.6-160.518.7000109.3
81S68.5Low85.1Confident21 Ų2154.7 Ų54.715%0.14727%0.272CS..  trans-85.2141-179.166.70000109.8F74 Q79 L83F74-S81 WeakPolarHBondContact O-CB 3.24Å; F74-S81 PolarHBondContact O-OG 2.94Å; Q79-S81 PolarHBondContact O-N 3.06Å; S81-L83 PolarHBondContact O-N 3.31Å
82E74.3Confident85.3Confident141 Ų14153.9 Ų53.966%0.65926%0.264SS*.  trans-67.3101.9169-71.8-167.9143.700108.4R154E82-R154 IonicContact OE1-NH2 2.69Å; E82-R154 PolarHBondContact OE1-NH2 2.93Å
83L86.6Confident85.6Confident69 Ų6954 Ų5436%0.36127%0.265SS..EExtended strand (participates in β ladder)trans-74135.5171.4-62.1-178.2000109.5I66 L75 S81I66-L83 HydrophobicContact CG2-CD1 4.43Å; I66-L83 HydrophobicContact CG2-CD2 4.47Å; L75-L83 HydrophobicContact CD2-CD2 3.53Å; S81-L83 PolarHBondContact O-N 3.31Å
84H91.1Very high86Confident47 Ų4752.6 Ų52.622%0.21825%0.252CS..EExtended strand (participates in β ladder)trans-110.7145.3174.9-168.244.4000110.6I66 G67 S96 W109 C160I66-H84 WeakPolarHBondContact CA-O 3.48Å; G67-H84 PolarHBondContact N-O 3.35Å; G67-H84 PolarHBondContact O-N 3.45Å; H84-S96 VanDerWaalsContact NE2-CB 3.29Å; H84-S96 WeakPolarHBondContact NE2-CB 3.48Å; H84-S96 PolarHBondContact NE2-OG 3.31Å; H84-W109 HydrophobicContact CB-CH2 4.34Å; H84-W109 AromaticContact CD2-CH2 3.43Å; H84-W109 VanDerWaalsContact CD2-CH2 3.43Å; H84-W109 WeakPolarHBondContact CD2-CH2 3.46Å; H84-W109 AromaticContact CD2-CZ2 3.25Å; H84-W109 WeakPolarHBondContact CD2-CZ2 3.33Å; H84-W109 AromaticContact NE2-CZ2 3.63Å; H84-C160 PolarHBondContact ND1-SG 3.31Å
85V93.9Very high86.4Confident4 Ų449.3 Ų49.32%0.02424%0.238CC..EExtended strand (participates in β ladder)trans-126.2139.8-176.2173.40000110.5F64 L65 W109 C160 Y161 A164F64-V85 HydrophobicContact CD1-CG1 4.36Å; F64-V85 HydrophobicContact CD2-CG1 4.1Å; F64-V85 HydrophobicContact CE1-CG1 3.71Å; F64-V85 HydrophobicContact CE1-CG2 4.16Å; F64-V85 HydrophobicContact CE2-CG1 3.43Å; F64-V85 VanDerWaalsContact CE2-CG1 3.43Å; F64-V85 HydrophobicContact CZ-CB 4.25Å; F64-V85 HydrophobicContact CZ-CG1 3.2Å; F64-V85 HydrophobicContact CZ-CG2 3.97Å; L65-V85 WeakPolarHBondContact O-CA 3.49Å; V85-W109 VanDerWaalsContact C-CH2 3.44Å; V85-C160 HydrophobicContact CB-CB 4.46Å; V85-C160 PolarHBondContact N-SG 3.07Å; V85-C160 VanDerWaalsContact N-SG 3.38Å; V85-Y161 HydrophobicContact CG2-CD2 4.07Å; V85-A164 HydrophobicContact CG1-CB 3.54Å
86G95.6Very high86.8Confident0 Ų049.2 Ų49.20%024%0.238CC..EExtended strand (participates in β ladder)trans-140.4165.3175.500000111.9L65 Y95 W109L65-G86 PolarHBondContact N-O 3.15Å; L65-G86 PolarHBondContact O-N 3.46Å; L65-G86 VanDerWaalsContact O-N 3.16Å; G86-Y95 CarbonylContact C-O 3.45Å; G86-Y95 VanDerWaalsContact CA-O 3.31Å; G86-Y95 WeakPolarHBondContact CA-O 3.47Å; G86-W109 VanDerWaalsContact N-CH2 3.33Å
87V96.9Very high87.3Confident0 Ų048.7 Ų48.70%023%0.234CC..EExtended strand (participates in β ladder)trans-125.1128.3175.6-176.60000109.3A63 Y95 W132 L136 A164 F167A63-V87 WeakPolarHBondContact O-CA 3.42Å; V87-Y95 PolarHBondContact N-O 3.08Å; V87-Y95 PolarHBondContact O-N 3.48Å; V87-W132 HydrophobicContact CG1-CH2 4.18Å; V87-W132 HydrophobicContact CG1-CZ2 3.38Å; V87-L136 HydrophobicContact CG1-CD2 4.21Å; V87-A164 HydrophobicContact CG2-CB 3.54Å; V87-F167 HydrophobicContact CG1-CD1 3.97Å; V87-F167 HydrophobicContact CG1-CE1 3.86Å; V87-F167 HydrophobicContact CG2-CD1 4.46Å
88T96.4Very high88Confident0 Ų045.3 Ų45.30%022%0.22CC..EExtended strand (participates in β ladder)trans-86.9140.9178.257.20000111.8G57 V60 C62 A63 L65 V93 V94 W132G57-T88 WeakPolarHBondContact O-CG2 3.39Å; V60-T88 WeakPolarHBondContact O-CB 3.27Å; V60-T88 WeakPolarHBondContact O-CG2 3.37Å; V60-T88 PolarHBondContact O-OG1 3.42Å; C62-T88 VanDerWaalsContact CA-O 3.32Å; C62-T88 WeakPolarHBondContact CA-O 3.33Å; C62-T88 PolarHBondContact N-O 3.47Å; C62-T88 PolarHBondContact N-OG1 3.35Å; C62-T88 VanDerWaalsContact N-OG1 3.15Å; A63-T88 PolarHBondContact N-OG1 3.02Å; A63-T88 PolarHBondContact O-N 3.36Å; L65-T88 HydrophobicContact CD1-CG2 3.48Å; L65-T88 VanDerWaalsContact CD1-CG2 3.48Å; L65-T88 HydrophobicContact CD2-CG2 4.11Å; L65-T88 HydrophobicContact CG-CG2 3.84Å; T88-V93 WeakPolarHBondContact CA-O 3.35Å; T88-V94 HydrophobicContact CG2-CG2 3.68Å; T88-W132 PolarHBondContact O-NE1 3.22Å
89N94.1Very high88.8Confident8 Ų840.1 Ų40.14%0.04321%0.212CC..  trans-79-179.9163.479.30.8000111.1Q91 G92 V93 Y95 D133 L136N89-Q91 PolarHBondContact O-N 2.88Å; N89-Q91 WeakPolarHBondContact OD1-CA 3.37Å; N89-Q91 WeakPolarHBondContact OD1-CB 3.14Å; N89-Q91 PolarHBondContact OD1-N 3.22Å; N89-G92 PolarHBondContact O-N 3.31Å; N89-G92 PolarHBondContact OD1-N 3.17Å; N89-V93 PolarHBondContact N-O 2.97Å; N89-V93 PolarHBondContact OD1-N 3.19Å; N89-V93 PolarHBondContact OD1-O 3.48Å; N89-Y95 HydrophobicContact CB-CE2 4.13Å; N89-D133 WeakPolarHBondContact CB-OD1 3.11Å; N89-L136 HydrophobicContact CB-CD2 4.11Å
90S91.2Very high89.9Confident14 Ų1440.4 Ų40.410%0.09822%0.222CC..THydrogen-bonded Turntrans-68-17.3-178.782.30000113.9R61 S123 D133R61-S90 VanDerWaalsContact CD-O 3.22Å; R61-S90 WeakPolarHBondContact CD-O 3.2Å; R61-S90 WeakPolarHBondContact CG-O 3.45Å; R61-S90 PolarHBondContact NE-O 2.94Å; S90-S123 WeakPolarHBondContact CB-O 3.29Å; S90-D133 WeakPolarHBondContact CB-OD1 3.38Å; S90-D133 WeakPolarHBondContact CB-OD2 3.37Å; S90-D133 PolarHBondContact N-OD1 3.06Å; S90-D133 PolarHBondContact OG-OD2 3.41Å
91Q91Very high91.1Very high159 Ų15932.1 Ų32.174%0.74318%0.179SC*.THydrogen-bonded Turntrans-95.1-11179.6-58.1-174.242.500112.9N89N89-Q91 PolarHBondContact O-N 2.88Å; N89-Q91 WeakPolarHBondContact OD1-CA 3.37Å; N89-Q91 WeakPolarHBondContact OD1-CB 3.14Å; N89-Q91 PolarHBondContact OD1-N 3.22Å
92G92.6Very high92.4Very high5 Ų532.6 Ų32.65%0.05218%0.181CC..SBendtrans94.87-178.500000115H58 N89H58-G92 WeakPolarHBondContact CA-O 3.4Å; H58-G92 WeakPolarHBondContact CB-O 3.41Å; H58-G92 PolarHBondContact ND1-O 3.24Å; H58-G92 VanDerWaalsContact O-CA 3.3Å; H58-G92 WeakPolarHBondContact O-CA 3.35Å; N89-G92 PolarHBondContact O-N 3.31Å; N89-G92 PolarHBondContact OD1-N 3.17Å
93V96.9Very high93.4Very high15 Ų1529 Ų299%0.09116%0.164CC..PPolyproline II helixtrans-73.1131.3169.1-176.10000108.2T88 N89 Y95 R104 E106T88-V93 WeakPolarHBondContact CA-O 3.35Å; N89-V93 PolarHBondContact N-O 2.97Å; N89-V93 PolarHBondContact OD1-N 3.19Å; N89-V93 PolarHBondContact OD1-O 3.48Å; V93-Y95 HydrophobicContact CB-CE2 4.27Å; V93-Y95 HydrophobicContact CG1-CD2 4.5Å; V93-Y95 HydrophobicContact CG1-CE2 4Å; V93-R104 HydrophobicContact CG1-CB 4.07Å; V93-E106 HydrophobicContact CG2-CG 4.36Å
94V97.6Very high93.9Very high0 Ų032.7 Ų32.70%017%0.173CC..EExtended strand (participates in β ladder)trans-96.2131.5-180-177.30000109.8L65 T88 R104 E105 W109L65-V94 HydrophobicContact CD1-CG1 4.1Å; L65-V94 HydrophobicContact CD1-CG2 3.58Å; T88-V94 HydrophobicContact CG2-CG2 3.68Å; V94-R104 CarbonylContact O-C 3.58Å; V94-R104 WeakPolarHBondContact O-CA 3.32Å; V94-E105 HydrophobicContact CB-CB 4.32Å; V94-E105 PolarHBondContact N-O 3.4Å; V94-E105 PolarHBondContact O-N 3.12Å; V94-W109 HydrophobicContact CB-CG 4.2Å; V94-W109 HydrophobicContact CG1-CD2 3.93Å; V94-W109 HydrophobicContact CG1-CG 4.07Å; V94-W109 HydrophobicContact CG1-CZ2 4.04Å; V94-W109 HydrophobicContact CG2-CB 4.05Å; V94-W109 HydrophobicContact CG2-CD2 4.42Å; V94-W109 HydrophobicContact CG2-CG 3.8Å
95Y97.6Very high94.1Very high3 Ų332.9 Ų32.91%0.01217%0.174CC..EExtended strand (participates in β ladder)trans-103.5116.9172.2-69-113000107.6G86 V87 N89 V93 V102 Q103 R104 L136 E137G86-Y95 CarbonylContact C-O 3.45Å; G86-Y95 VanDerWaalsContact CA-O 3.31Å; G86-Y95 WeakPolarHBondContact CA-O 3.47Å; V87-Y95 PolarHBondContact N-O 3.08Å; V87-Y95 PolarHBondContact O-N 3.48Å; N89-Y95 HydrophobicContact CB-CE2 4.13Å; V93-Y95 HydrophobicContact CB-CE2 4.27Å; V93-Y95 HydrophobicContact CG1-CD2 4.5Å; V93-Y95 HydrophobicContact CG1-CE2 4Å; Y95-V102 HydrophobicContact CD1-CG1 4.3Å; Y95-Q103 WeakPolarHBondContact CA-O 3.46Å; Y95-R104 HydrophobicContact CD1-CG 4Å; Y95-R104 HydrophobicContact CE1-CG 3.64Å; Y95-R104 PolarHBondContact OH-NE 2.8Å; Y95-R104 PolarHBondContact OH-NH2 3.27Å; Y95-L136 HydrophobicContact CD1-CD1 4.4Å; Y95-L136 HydrophobicContact CD1-CG 4.08Å; Y95-L136 HydrophobicContact CD2-CD2 3.5Å; Y95-L136 VanDerWaalsContact CD2-CD2 3.5Å; Y95-L136 HydrophobicContact CD2-CG 3.84Å; Y95-L136 HydrophobicContact CE1-CG 4.36Å; Y95-L136 HydrophobicContact CE2-CD2 3.95Å; Y95-L136 HydrophobicContact CE2-CG 4.19Å; Y95-L136 HydrophobicContact CG-CD1 4.09Å; Y95-L136 HydrophobicContact CG-CD2 3.91Å; Y95-L136 HydrophobicContact CG-CG 3.81Å; Y95-E137 PolarHBondContact OH-OE2 2.87Å
96S94.6Very high94.2Very high0 Ų040.2 Ų40.20%021%0.208CC..EExtended strand (participates in β ladder)trans-133.5143.1178.683.30000110.5H84 V102 Q103 E105H84-S96 VanDerWaalsContact NE2-CB 3.29Å; H84-S96 WeakPolarHBondContact NE2-CB 3.48Å; H84-S96 PolarHBondContact NE2-OG 3.31Å; S96-V102 CarbonylContact O-C 3.49Å; S96-V102 WeakPolarHBondContact O-CA 3.48Å; S96-Q103 PolarHBondContact N-O 2.86Å; S96-Q103 PolarHBondContact O-N 3.21Å; S96-E105 VanDerWaalsContact CB-OE2 3.29Å; S96-E105 WeakPolarHBondContact CB-OE2 3.39Å; S96-E105 PolarHBondContact OG-OE2 3.41Å
97Y93.2Very high94.2Very high1 Ų147.3 Ų47.30%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-96.4122.4-179.2-177.2-133.5000110.1V102 W145 S146 F150 C159 C160 F163Y97-V102 HydrophobicContact CD2-CG2 3.91Å; Y97-W145 AromaticContact CD1-CE3 3.94Å; Y97-W145 HydrophobicContact CD1-CE3 3.94Å; Y97-W145 HydrophobicContact CD1-CZ3 4.36Å; Y97-W145 HydrophobicContact CD2-CB 4.27Å; Y97-W145 AromaticContact CE1-CE3 3.88Å; Y97-W145 HydrophobicContact CE1-CE3 3.88Å; Y97-W145 HydrophobicContact CE1-CZ3 4.37Å; Y97-W145 HydrophobicContact CE2-CB 4.14Å; Y97-W145 WeakPolarHBondContact CE2-O 3.44Å; Y97-W145 HydrophobicContact CG-CE3 4.38Å; Y97-S146 PolarHBondContact OH-O 3.33Å; Y97-F150 AromaticContact CD1-CD2 3.85Å; Y97-F150 HydrophobicContact CD1-CD2 3.85Å; Y97-F150 HydrophobicContact CD1-CE2 4.27Å; Y97-F150 HydrophobicContact CD2-CD2 4.44Å; Y97-F150 HydrophobicContact CE1-CB 4.38Å; Y97-F150 AromaticContact CE1-CD2 3.64Å; Y97-F150 HydrophobicContact CE1-CD2 3.64Å; Y97-F150 HydrophobicContact CE1-CE2 4.46Å; Y97-F150 HydrophobicContact CE1-CG 4.47Å; Y97-F150 HydrophobicContact CE2-CD2 4.22Å; Y97-F150 HydrophobicContact CG-CD2 4.26Å; Y97-F150 AromaticContact CZ-CD2 3.83Å; Y97-F150 WeakPolarHBondContact OH-CA 3.35Å; Y97-F150 PolarHBondContact OH-N 3.17Å; Y97-F150 VanDerWaalsContact OH-N 3.14Å; Y97-C159 HydrophobicContact CD1-CB 3.9Å; Y97-C159 HydrophobicContact CE1-CB 3.95Å; Y97-C160 VanDerWaalsContact O-CB 3.32Å; Y97-C160 WeakPolarHBondContact O-CB 3.33Å; Y97-F163 HydrophobicContact CD1-CB 4.25Å; Y97-F163 HydrophobicContact CG-CB 4.22Å
98T90.3Very high94Very high28 Ų2850.2 Ų50.217%0.17227%0.271CS..EExtended strand (participates in β ladder)trans-128.7177.2-17571.50000110.4S100 G101 Q103 F150T98-S100 PolarHBondContact O-N 3.27Å; T98-S100 PolarHBondContact OG1-N 2.79Å; T98-S100 VanDerWaalsContact OG1-N 3.13Å; T98-G101 PolarHBondContact N-O 3.43Å; T98-G101 PolarHBondContact O-N 2.87Å; T98-G101 PolarHBondContact OG1-O 2.88Å; T98-G101 VanDerWaalsContact OG1-O 3.08Å; T98-Q103 HydrophobicContact CG2-CG 3.82Å; T98-Q103 WeakPolarHBondContact OG1-CG 3.48Å; T98-F150 VanDerWaalsContact CA-CE2 3.47Å; T98-F150 WeakPolarHBondContact O-CD2 3.3Å
99S87.9Confident94Very high76 Ų7650.5 Ų50.553%0.53127%0.272SS..THydrogen-bonded Turntrans-58.5-16.2171.457.90000113.9R147S99-R147 WeakPolarHBondContact O-CB 3.41Å
100S90.8Very high94.1Very high79 Ų7954 Ų5455%0.55229%0.288SS*.THydrogen-bonded Turntrans-92.96.8173.9-62.80000113.5T98 Q103T98-S100 PolarHBondContact O-N 3.27Å; T98-S100 PolarHBondContact OG1-N 2.79Å; T98-S100 VanDerWaalsContact OG1-N 3.13Å; S100-Q103 PolarHBondContact O-NE2 2.96Å
101G91.9Very high94.2Very high5 Ų557.6 Ų57.65%0.05230%0.303CS..EExtended strand (participates in β ladder)trans92.2-168.4-170.900000112T98 Q103T98-G101 PolarHBondContact N-O 3.43Å; T98-G101 PolarHBondContact O-N 2.87Å; T98-G101 PolarHBondContact OG1-O 2.88Å; T98-G101 VanDerWaalsContact OG1-O 3.08Å; G101-Q103 PolarHBondContact O-N 2.82Å; G101-Q103 PolarHBondContact O-NE2 3.45Å
102V95.1Very high94.4Very high30 Ų3050.1 Ų50.118%0.18227%0.268CS..EExtended strand (participates in β ladder)trans-67.8121.8175.7-171.10000109.7Y95 S96 Y97 W145 F163Y95-V102 HydrophobicContact CD1-CG1 4.3Å; S96-V102 CarbonylContact O-C 3.49Å; S96-V102 WeakPolarHBondContact O-CA 3.48Å; Y97-V102 HydrophobicContact CD2-CG2 3.91Å; V102-W145 HydrophobicContact CG2-CB 3.36Å; V102-W145 HydrophobicContact CG2-CG 4.19Å; V102-F163 HydrophobicContact CG1-CE1 4.38Å; V102-F163 HydrophobicContact CG1-CE2 4.04Å; V102-F163 HydrophobicContact CG1-CZ 3.74Å; V102-F163 HydrophobicContact CG2-CD2 4.09Å; V102-F163 HydrophobicContact CG2-CE2 3.67Å; V102-F163 HydrophobicContact CG2-CZ 4.24Å
103Q95.7Very high94.6Very high67 Ų6750 Ų5031%0.31327%0.266SS..EExtended strand (participates in β ladder)trans-98.8148.6176.9-56.4-52.7-64.700110.1Y95 S96 T98 S100 G101 E105Y95-Q103 WeakPolarHBondContact CA-O 3.46Å; S96-Q103 PolarHBondContact N-O 2.86Å; S96-Q103 PolarHBondContact O-N 3.21Å; T98-Q103 HydrophobicContact CG2-CG 3.82Å; T98-Q103 WeakPolarHBondContact OG1-CG 3.48Å; S100-Q103 PolarHBondContact O-NE2 2.96Å; G101-Q103 PolarHBondContact O-N 2.82Å; G101-Q103 PolarHBondContact O-NE2 3.45Å; Q103-E105 HydrophobicContact CB-CG 3.88Å
104R96.9Very high94.5Very high146 Ų14649.9 Ų49.955%0.55127%0.266SS*.EExtended strand (participates in β ladder)trans-111.5107.6170-65.2175.673.2-134.78.1107.3V93 V94 Y95 E137V93-R104 HydrophobicContact CG1-CB 4.07Å; V94-R104 CarbonylContact O-C 3.58Å; V94-R104 WeakPolarHBondContact O-CA 3.32Å; Y95-R104 HydrophobicContact CD1-CG 4Å; Y95-R104 HydrophobicContact CE1-CG 3.64Å; Y95-R104 PolarHBondContact OH-NE 2.8Å; Y95-R104 PolarHBondContact OH-NH2 3.27Å; R104-E137 IonicContact CZ-OE2 3.24Å; R104-E137 IonicContact NE-OE2 3.9Å; R104-E137 IonicContact NH2-OE2 2.82Å
105E96.4Very high94.4Very high50 Ų5050 Ų5023%0.23427%0.267CS..EExtended strand (participates in β ladder)trans-113.9122.2-167.4-61.6174.410800110.1H58 V94 S96 Q103 W109H58-E105 PolarHBondContact CE1-O 3.05Å; H58-E105 VanDerWaalsContact CE1-O 3.27Å; V94-E105 HydrophobicContact CB-CB 4.32Å; V94-E105 PolarHBondContact N-O 3.4Å; V94-E105 PolarHBondContact O-N 3.12Å; S96-E105 VanDerWaalsContact CB-OE2 3.29Å; S96-E105 WeakPolarHBondContact CB-OE2 3.39Å; S96-E105 PolarHBondContact OG-OE2 3.41Å; Q103-E105 HydrophobicContact CB-CG 3.88Å; E105-W109 PolarHBondContact OE2-NE1 2.92Å
106E96.1Very high94.1Very high158 Ų15853.7 Ų53.774%0.73829%0.291SS*.SBendtrans-97.9-4.1173.8-62.4-170.9172.400112.7V93V93-E106 HydrophobicContact CG2-CG 4.36Å
107Q94.6Very high93.7Very high150 Ų15056.1 Ų56.170%0.70130%0.304SS*.SBendtrans-144.6166.217964-1772800110.4H58 E110H58-Q107 PolarHBondContact CE1-N 2.9Å; H58-Q107 VanDerWaalsContact NE2-C 3.35Å; H58-Q107 VanDerWaalsContact NE2-CA 3.3Å; H58-Q107 WeakPolarHBondContact NE2-CA 3.41Å; H58-Q107 PolarHBondContact NE2-N 2.71Å; Q107-E110 VanDerWaalsContact CA-OE1 3.29Å; Q107-E110 WeakPolarHBondContact CA-OE1 3.49Å
108G93.6Very high92.9Very high60 Ų6057.7 Ų57.762%0.61931%0.314SS*.SBendtrans96.6-4.4176.500000114.3E110G108-E110 VanDerWaalsContact CA-OE2 3.27Å; G108-E110 WeakPolarHBondContact CA-OE2 3.22Å; G108-E110 PolarHBondContact N-OE1 3.49Å; G108-E110 PolarHBondContact N-OE2 2.96Å
109W96Very high91.8Very high7 Ų759.1 Ų59.13%0.02733%0.329CS..  trans-116.425.7177.9-61.685.6000112.7G57 H58 L65 H84 V85 G86 V94 E105 Q111 C112G57-W109 PolarHBondContact N-O 2.88Å; H58-W109 AromaticContact CE1-CD1 3.95Å; H58-W109 WeakPolarHBondContact NE2-CB 3.29Å; H58-W109 PolarHBondContact NE2-N 2.9Å; L65-W109 HydrophobicContact CB-CE3 3.62Å; L65-W109 HydrophobicContact CB-CZ3 3.64Å; L65-W109 HydrophobicContact CD1-CB 4.01Å; L65-W109 HydrophobicContact CD1-CD2 3.99Å; L65-W109 HydrophobicContact CD1-CE3 3.74Å; L65-W109 HydrophobicContact CD1-CG 4.13Å; L65-W109 HydrophobicContact CG-CE3 4.38Å; H84-W109 HydrophobicContact CB-CH2 4.34Å; H84-W109 AromaticContact CD2-CH2 3.43Å; H84-W109 VanDerWaalsContact CD2-CH2 3.43Å; H84-W109 WeakPolarHBondContact CD2-CH2 3.46Å; H84-W109 AromaticContact CD2-CZ2 3.25Å; H84-W109 WeakPolarHBondContact CD2-CZ2 3.33Å; H84-W109 AromaticContact NE2-CZ2 3.63Å; V85-W109 VanDerWaalsContact C-CH2 3.44Å; G86-W109 VanDerWaalsContact N-CH2 3.33Å; V94-W109 HydrophobicContact CB-CG 4.2Å; V94-W109 HydrophobicContact CG1-CD2 3.93Å; V94-W109 HydrophobicContact CG1-CG 4.07Å; V94-W109 HydrophobicContact CG1-CZ2 4.04Å; V94-W109 HydrophobicContact CG2-CB 4.05Å; V94-W109 HydrophobicContact CG2-CD2 4.42Å; V94-W109 HydrophobicContact CG2-CG 3.8Å; E105-W109 PolarHBondContact OE2-NE1 2.92Å; W109-Q111 VanDerWaalsContact C-N 3.3Å; W109-Q111 PolarHBondContact O-N 2.69Å; W109-C112 HydrophobicContact CE3-CB 3.95Å; W109-C112 PolarHBondContact O-SG 3.18Å
110E95.7Very high90.6Very high82 Ų8262 Ų6238%0.38335%0.346SS..THydrogen-bonded Turntrans-74.8-19.6-178.1-62.478.8-174.600113.5S55 N56 H58 Q107 G108S55-E110 CarbonylContact C-O 3.6Å; S55-E110 CarbonylContact O-C 3.57Å; S55-E110 VanDerWaalsContact O-O 3.12Å; N56-E110 WeakPolarHBondContact CA-O 3.34Å; N56-E110 PolarHBondContact N-O 3.26Å; H58-E110 IonicContact CD2-OE1 2.71Å; H58-E110 IonicContact NE2-OE1 3.98Å; Q107-E110 VanDerWaalsContact CA-OE1 3.29Å; Q107-E110 WeakPolarHBondContact CA-OE1 3.49Å; G108-E110 VanDerWaalsContact CA-OE2 3.27Å; G108-E110 WeakPolarHBondContact CA-OE2 3.22Å; G108-E110 PolarHBondContact N-OE1 3.49Å; G108-E110 PolarHBondContact N-OE2 2.96Å
111Q94.3Very high89.1Confident89 Ų8962 Ų6242%0.41636%0.357SS..THydrogen-bonded Turntrans-130.161.8-179.6-64.2-165.9-37.600111P72 W109P72-Q111 HydrophobicContact CB-CB 4.29Å; P72-Q111 HydrophobicContact CG-CB 4.03Å; W109-Q111 VanDerWaalsContact C-N 3.3Å; W109-Q111 PolarHBondContact O-N 2.69Å
112C95.4Very high87.6Confident1 Ų164.8 Ų64.81%0.00737%0.374CS..BIsolated β-bridgetrans-118167.1178.8650000112.1F54 S55 I66 W109F54-C112 WeakPolarHBondContact CA-O 3.34Å; S55-C112 PolarHBondContact N-O 2.96Å; S55-C112 PolarHBondContact O-N 3.38Å; S55-C112 VanDerWaalsContact O-N 3.13Å; I66-C112 WeakPolarHBondContact O-CA 3.34Å; I66-C112 VanDerWaalsContact O-CB 3.3Å; I66-C112 WeakPolarHBondContact O-CB 3.39Å; W109-C112 HydrophobicContact CE3-CB 3.95Å; W109-C112 PolarHBondContact O-SG 3.18Å
113L95.8Very high85.7Confident2 Ų264 Ų641%0.0137%0.369CS..EExtended strand (participates in β ladder)trans-82.4131.7163.7-55.7174000108.3P53 F54 L65 I66 L75 H193 V194 A197P53-L113 HydrophobicContact CB-CD2 4.1Å; F54-L113 HydrophobicContact CD1-CD2 3.68Å; F54-L113 HydrophobicContact CD1-CG 4.34Å; F54-L113 HydrophobicContact CE1-CD2 3.67Å; F54-L113 HydrophobicContact CE1-CG 4.27Å; L65-L113 WeakPolarHBondContact CA-O 3.39Å; I66-L113 HydrophobicContact CB-CB 4.19Å; I66-L113 HydrophobicContact CD1-CB 4.35Å; I66-L113 HydrophobicContact CD1-CD1 4.48Å; I66-L113 PolarHBondContact N-O 3.24Å; I66-L113 PolarHBondContact O-N 2.55Å; L75-L113 HydrophobicContact CD1-CG 4.24Å; L113-H193 HydrophobicContact CD1-CB 4.31Å; L113-V194 HydrophobicContact CD1-CG2 4.07Å; L113-A197 HydrophobicContact CD1-CB 3.87Å; L113-A197 HydrophobicContact CD2-CB 3.74Å; L113-A197 HydrophobicContact CG-CB 4.38Å
114C95.7Very high83.9Confident13 Ų1369.5 Ų69.59%0.08839%0.387CS..EExtended strand (participates in β ladder)trans-113.5126.7-179.6-59.10000109.5S55 V60 L65 P116S55-C114 PolarHBondContact OG-SG 2.74Å; V60-C114 HydrophobicContact CB-CB 4.11Å; V60-C114 HydrophobicContact CG1-CB 4.09Å; V60-C114 HydrophobicContact CG2-CB 3.83Å; L65-C114 HydrophobicContact CD2-CB 3.97Å; L65-C114 VanDerWaalsContact CD2-SG 3.54Å; C114-P116 WeakPolarHBondContact O-CD 3.46Å
115V95Very high82Confident4 Ų466.3 Ų66.32%0.02440%0.399CS..EExtended strand (participates in β ladder)trans-11296.8172.2-179.20000107.5A63 F64 I66 L117 H189A63-V115 WeakPolarHBondContact CA-O 3.39Å; A63-V115 WeakPolarHBondContact CB-O 3.19Å; F64-V115 HydrophobicContact CB-CB 4.23Å; F64-V115 PolarHBondContact N-O 3.31Å; F64-V115 WeakPolarHBondContact O-CB 3.4Å; F64-V115 PolarHBondContact O-N 2.62Å; I66-V115 HydrophobicContact CD1-CG2 4.47Å; V115-L117 HydrophobicContact CG1-CD2 4.11Å; V115-L117 PolarHBondContact O-N 3.28Å; V115-H189 HydrophobicContact CG1-CB 4.1Å
116P90.6Very high80.7Confident79 Ų7965.4 Ų65.451%0.51340%0.398SS..EExtended strand (participates in β ladder)trans-63.7126.3176.5-17.230.2000110V60 C114V60-P116 HydrophobicContact CG1-CB 4.4Å; V60-P116 HydrophobicContact CG1-CG 3.98Å; C114-P116 WeakPolarHBondContact O-CD 3.46Å
117L85.9Confident79.3Confident51 Ų5165 Ų6527%0.26740%0.401SS..  trans-102-10.6-178.5-62.6175.5000113C62 F64 V115 W132 L168 F185C62-L117 WeakPolarHBondContact O-CB 3.45Å; C62-L117 PolarHBondContact O-N 3.18Å; C62-L117 VanDerWaalsContact O-N 3.1Å; F64-L117 HydrophobicContact CB-CD1 3.84Å; F64-L117 HydrophobicContact CB-CG 4.27Å; V115-L117 HydrophobicContact CG1-CD2 4.11Å; V115-L117 PolarHBondContact O-N 3.28Å; L117-W132 HydrophobicContact CB-CH2 4.28Å; L117-W132 HydrophobicContact CD1-CH2 3.91Å; L117-L168 HydrophobicContact CD1-CD1 3.53Å; L117-L168 HydrophobicContact CD1-CD2 3.38Å; L117-L168 HydrophobicContact CD1-CG 4.08Å; L117-F185 HydrophobicContact CD2-CE2 4.33Å; L117-F185 HydrophobicContact CD2-CZ 4.22Å
118V78Confident78.3Confident34 Ų3460.4 Ų60.421%0.20639%0.389CS..SBendtrans-116.2139.5177.1-179.70000108.6C62 T122 W132C62-V118 HydrophobicContact CB-CB 3.97Å; C62-V118 HydrophobicContact CB-CG2 3.44Å; C62-V118 VanDerWaalsContact CB-CG2 3.44Å; V118-T122 WeakPolarHBondContact CG1-OG1 3.47Å; V118-W132 HydrophobicContact CG2-CE3 4.39Å; V118-W132 HydrophobicContact CG2-CZ3 4.46Å
119A67.6Low77.5Confident59 Ų5957.6 Ų57.649%0.48836%0.36SS..  trans-58.5147.6-179.800000111.8G121 T122A119-G121 PolarHBondContact O-N 3.24Å; A119-T122 PolarHBondContact O-N 3.06Å; A119-T122 PolarHBondContact O-OG1 2.64Å
120P61.4Low76.8Confident137 Ų13761.4 Ų61.489%0.8938%0.383SS*.THydrogen-bonded Turntrans-55.6125.8174.5-23.232.8000111
121G59.2Low76.3Confident77 Ų7762.5 Ų62.579%0.79439%0.392SS*.THydrogen-bonded Turntrans97.7-10.7177.900000115.8A119A119-G121 PolarHBondContact O-N 3.24Å
122T61Low76.1Confident65 Ų6559.2 Ų59.240%0.39938%0.375SS..SBendtrans-104.514.2-179.9580000114V118 A119 S126V118-T122 WeakPolarHBondContact CG1-OG1 3.47Å; A119-T122 PolarHBondContact O-N 3.06Å; A119-T122 PolarHBondContact O-OG1 2.64Å; T122-S126 VanDerWaalsContact C-OG 3.28Å; T122-S126 WeakPolarHBondContact O-CB 3.33Å; T122-S126 PolarHBondContact O-OG 2.78Å
123S55.2Low76Confident12 Ų1260.5 Ų60.58%0.08438%0.382CS..SBendtrans-108.7-26.2-17156.30000116.9R61 S90 G129R61-S123 WeakPolarHBondContact CD-OG 3.3Å; S90-S123 WeakPolarHBondContact CB-O 3.29Å; S123-G129 WeakPolarHBondContact O-CA 3.29Å
124R57.3Low75.8Confident184 Ų18463 Ų6369%0.69440%0.399SS*.SBendtrans-114.8120.5-177.1-173.8175.3-178.4-168.95.3111.3R61 S126R61-R124 VanDerWaalsContact CZ-CD 3.46Å; R61-R124 VanDerWaalsContact NH1-CB 3.25Å; R124-S126 PolarHBondContact O-N 3.3Å
125G57.5Low75.7Confident78 Ų7865.3 Ų65.380%0.80441%0.409SS*.SBendtrans71.25.5-17800000114.2
126S68Low75.7Confident31 Ų3165.1 Ų65.122%0.21741%0.408CS..SBendtrans-84.8156.5170.467.30000110.1T122 R124 A128 G129 T130T122-S126 VanDerWaalsContact C-OG 3.28Å; T122-S126 WeakPolarHBondContact O-CB 3.33Å; T122-S126 PolarHBondContact O-OG 2.78Å; R124-S126 PolarHBondContact O-N 3.3Å; S126-A128 PolarHBondContact O-N 3.02Å; S126-G129 PolarHBondContact O-N 2.82Å; S126-G129 VanDerWaalsContact O-N 3.17Å; S126-G129 PolarHBondContact OG-N 2.83Å; S126-T130 PolarHBondContact O-N 3.07Å; S126-T130 VanDerWaalsContact O-N 3.08Å; S126-T130 PolarHBondContact O-OG1 2.89Å
127L66.7Low75.9Confident150 Ų15064.1 Ų64.179%0.78540%0.397SS*.Hα-helixtrans-57.6-37.8172.6-66176.9000111.9G129 T130 L131L127-G129 PolarHBondContact O-N 2.55Å; L127-T130 PolarHBondContact O-N 3.01Å; L127-L131 WeakPolarHBondContact O-CB 3.29Å; L127-L131 VanDerWaalsContact O-CG 3.26Å; L127-L131 WeakPolarHBondContact O-CG 3.25Å; L127-L131 PolarHBondContact O-N 3.17Å
128A74.1Confident76.4Confident54 Ų5467.5 Ų67.545%0.44641%0.411SS..Hα-helixtrans-64.4-39177.700000112.7S126 W132S126-A128 PolarHBondContact O-N 3.02Å; A128-W132 WeakPolarHBondContact O-CB 3.49Å; A128-W132 PolarHBondContact O-N 2.81Å
129G77.6Confident77.2Confident1 Ų166.3 Ų66.31%0.0140%0.403CS..Hα-helixtrans-69-42.2176.400000112.7S123 S126 L127 W132 D133S123-G129 WeakPolarHBondContact O-CA 3.29Å; S126-G129 PolarHBondContact O-N 2.82Å; S126-G129 VanDerWaalsContact O-N 3.17Å; S126-G129 PolarHBondContact OG-N 2.83Å; L127-G129 PolarHBondContact O-N 2.55Å; G129-W132 WeakPolarHBondContact O-CB 3.27Å; G129-W132 PolarHBondContact O-N 3.22Å; G129-D133 PolarHBondContact O-N 2.8Å
130T80.3Confident78.5Confident86 Ų8664.2 Ų64.253%0.52839%0.385SS..Hα-helixtrans-65.3-41.8177.1-55.10000111.8S126 L127 D133 S134S126-T130 PolarHBondContact O-N 3.07Å; S126-T130 VanDerWaalsContact O-N 3.08Å; S126-T130 PolarHBondContact O-OG1 2.89Å; L127-T130 PolarHBondContact O-N 3.01Å; T130-D133 PolarHBondContact O-N 3.16Å; T130-S134 PolarHBondContact O-N 3.34Å; T130-S134 PolarHBondContact O-OG 3.47Å
131L85.3Confident80.1Confident106 Ų10663.1 Ų63.156%0.55537%0.371SS*.Hα-helixtrans-63.9-43175.4-73.3171.6000111.6L127 D133 S134 E135L127-L131 WeakPolarHBondContact O-CB 3.29Å; L127-L131 VanDerWaalsContact O-CG 3.26Å; L127-L131 WeakPolarHBondContact O-CG 3.25Å; L127-L131 PolarHBondContact O-N 3.17Å; L131-D133 VanDerWaalsContact C-N 3.34Å; L131-D133 PolarHBondContact O-N 2.91Å; L131-S134 PolarHBondContact O-N 2.86Å; L131-S134 PolarHBondContact O-OG 2.74Å; L131-S134 VanDerWaalsContact O-OG 3.06Å; L131-E135 VanDerWaalsContact O-CB 3.3Å; L131-E135 WeakPolarHBondContact O-CB 3.41Å; L131-E135 VanDerWaalsContact O-CG 3.25Å; L131-E135 WeakPolarHBondContact O-CG 3.43Å; L131-E135 PolarHBondContact O-N 2.81Å
132W91.1Very high81.7Confident19 Ų1962.7 Ų62.77%0.07235%0.35CS..Hα-helixtrans-55.3-49.5174.5177.5-79.5000111.8C62 V87 T88 L117 V118 A128 G129 L136 F167 L168 L171C62-W132 HydrophobicContact CB-CD2 3.9Å; C62-W132 HydrophobicContact CB-CE3 4.29Å; C62-W132 HydrophobicContact CB-CG 4.28Å; C62-W132 HydrophobicContact CB-CH2 4.36Å; C62-W132 HydrophobicContact CB-CZ2 3.94Å; V87-W132 HydrophobicContact CG1-CH2 4.18Å; V87-W132 HydrophobicContact CG1-CZ2 3.38Å; T88-W132 PolarHBondContact O-NE1 3.22Å; L117-W132 HydrophobicContact CB-CH2 4.28Å; L117-W132 HydrophobicContact CD1-CH2 3.91Å; V118-W132 HydrophobicContact CG2-CE3 4.39Å; V118-W132 HydrophobicContact CG2-CZ3 4.46Å; A128-W132 WeakPolarHBondContact O-CB 3.49Å; A128-W132 PolarHBondContact O-N 2.81Å; G129-W132 WeakPolarHBondContact O-CB 3.27Å; G129-W132 PolarHBondContact O-N 3.22Å; W132-L136 VanDerWaalsContact O-CB 3.23Å; W132-L136 WeakPolarHBondContact O-CB 3.31Å; W132-L136 PolarHBondContact O-N 3.04Å; W132-F167 HydrophobicContact CD2-CE1 4.13Å; W132-F167 HydrophobicContact CD2-CZ 4.13Å; W132-F167 AromaticContact CE2-CE1 3.78Å; W132-F167 HydrophobicContact CE3-CE1 4.33Å; W132-F167 HydrophobicContact CE3-CZ 4.45Å; W132-F167 AromaticContact CH2-CE1 3.91Å; W132-F167 HydrophobicContact CH2-CE1 3.91Å; W132-F167 AromaticContact CZ2-CE1 3.72Å; W132-F167 HydrophobicContact CZ2-CE1 3.72Å; W132-F167 HydrophobicContact CZ2-CZ 4.49Å; W132-F167 HydrophobicContact CZ3-CE1 4.2Å; W132-L168 HydrophobicContact CH2-CD2 3.52Å; W132-L168 HydrophobicContact CZ2-CD2 4.49Å; W132-L168 HydrophobicContact CZ3-CD2 3.96Å; W132-L171 HydrophobicContact CD2-CD1 4Å; W132-L171 HydrophobicContact CE3-CD1 3.24Å; W132-L171 HydrophobicContact CH2-CD1 4.37Å; W132-L171 HydrophobicContact CZ3-CD1 3.44Å; W132-L171 VanDerWaalsContact CZ3-CD1 3.44Å
133D92.7Very high83.1Confident29 Ų2964.4 Ų64.416%0.15536%0.362CS..Hα-helixtrans-65.5-44.2-177.6-73.34.9000112N89 S90 G129 T130 L131 L136 E137N89-D133 WeakPolarHBondContact CB-OD1 3.11Å; S90-D133 WeakPolarHBondContact CB-OD1 3.38Å; S90-D133 WeakPolarHBondContact CB-OD2 3.37Å; S90-D133 PolarHBondContact N-OD1 3.06Å; S90-D133 PolarHBondContact OG-OD2 3.41Å; G129-D133 PolarHBondContact O-N 2.8Å; T130-D133 PolarHBondContact O-N 3.16Å; L131-D133 VanDerWaalsContact C-N 3.34Å; L131-D133 PolarHBondContact O-N 2.91Å; D133-L136 PolarHBondContact O-N 3.13Å; D133-E137 WeakPolarHBondContact O-CB 3.37Å; D133-E137 PolarHBondContact O-N 3.49Å
134S92.2Very high84.7Confident53 Ų5366.5 Ų66.537%0.37137%0.374SS..Hα-helixtrans-66-43.3178.960.40000112T130 L131 E137 Q138T130-S134 PolarHBondContact O-N 3.34Å; T130-S134 PolarHBondContact O-OG 3.47Å; L131-S134 PolarHBondContact O-N 2.86Å; L131-S134 PolarHBondContact O-OG 2.74Å; L131-S134 VanDerWaalsContact O-OG 3.06Å; S134-E137 PolarHBondContact O-N 2.52Å; S134-Q138 WeakPolarHBondContact O-CG 3.33Å; S134-Q138 PolarHBondContact O-N 3.15Å
135E93.1Very high86.3Confident62 Ų6258.4 Ų58.429%0.2934%0.344SS..Hα-helixtrans-65.8-41177.8-73.2-64.7133.100111L131 E137 Q138 F139 F167 Q170 L171L131-E135 VanDerWaalsContact O-CB 3.3Å; L131-E135 WeakPolarHBondContact O-CB 3.41Å; L131-E135 VanDerWaalsContact O-CG 3.25Å; L131-E135 WeakPolarHBondContact O-CG 3.43Å; L131-E135 PolarHBondContact O-N 2.81Å; E135-E137 PolarHBondContact O-N 2.83Å; E135-Q138 PolarHBondContact O-N 2.94Å; E135-F139 WeakPolarHBondContact O-CB 3.44Å; E135-F139 PolarHBondContact O-N 3.41Å; E135-F167 HydrophobicContact CB-CE2 4.06Å; E135-Q170 PolarHBondContact OE2-NE2 2.97Å; E135-L171 HydrophobicContact CB-CD2 3.74Å; E135-L171 HydrophobicContact CG-CD2 3.8Å
136L95.1Very high87.8Confident0 Ų056.7 Ų56.70%032%0.32CS..Hα-helixtrans-64.4-42178.7-174.854.2000111.5V87 N89 Y95 W132 D133 S140 F163 F167V87-L136 HydrophobicContact CG1-CD2 4.21Å; N89-L136 HydrophobicContact CB-CD2 4.11Å; Y95-L136 HydrophobicContact CD1-CD1 4.4Å; Y95-L136 HydrophobicContact CD1-CG 4.08Å; Y95-L136 HydrophobicContact CD2-CD2 3.5Å; Y95-L136 VanDerWaalsContact CD2-CD2 3.5Å; Y95-L136 HydrophobicContact CD2-CG 3.84Å; Y95-L136 HydrophobicContact CE1-CG 4.36Å; Y95-L136 HydrophobicContact CE2-CD2 3.95Å; Y95-L136 HydrophobicContact CE2-CG 4.19Å; Y95-L136 HydrophobicContact CG-CD1 4.09Å; Y95-L136 HydrophobicContact CG-CD2 3.91Å; Y95-L136 HydrophobicContact CG-CG 3.81Å; W132-L136 VanDerWaalsContact O-CB 3.23Å; W132-L136 WeakPolarHBondContact O-CB 3.31Å; W132-L136 PolarHBondContact O-N 3.04Å; D133-L136 PolarHBondContact O-N 3.13Å; L136-S140 WeakPolarHBondContact O-CB 3.49Å; L136-S140 PolarHBondContact O-N 2.89Å; L136-F163 HydrophobicContact CD1-CZ 4.45Å; L136-F167 VanDerWaalsContact CA-CE2 3.44Å; L136-F167 HydrophobicContact CB-CE1 4.36Å; L136-F167 HydrophobicContact CB-CE2 3.76Å; L136-F167 HydrophobicContact CB-CZ 3.61Å; L136-F167 HydrophobicContact CD1-CD1 3.96Å; L136-F167 HydrophobicContact CD1-CD2 3.99Å; L136-F167 HydrophobicContact CD1-CE1 3.9Å; L136-F167 HydrophobicContact CD1-CE2 3.95Å; L136-F167 HydrophobicContact CD1-CG 3.99Å; L136-F167 HydrophobicContact CD1-CZ 3.88Å; L136-F167 HydrophobicContact CG-CE2 4.45Å; L136-F167 HydrophobicContact CG-CZ 4.2Å
137E95.4Very high88.7Confident59 Ų5962.5 Ų62.528%0.27634%0.337SS..Hα-helixtrans-60.7-52.5175.4-170.971.3-163.800110.8Y95 R104 D133 S134 E135 F139 S140 L141Y95-E137 PolarHBondContact OH-OE2 2.87Å; R104-E137 IonicContact CZ-OE2 3.24Å; R104-E137 IonicContact NE-OE2 3.9Å; R104-E137 IonicContact NH2-OE2 2.82Å; D133-E137 WeakPolarHBondContact O-CB 3.37Å; D133-E137 PolarHBondContact O-N 3.49Å; S134-E137 PolarHBondContact O-N 2.52Å; E135-E137 PolarHBondContact O-N 2.83Å; E137-F139 PolarHBondContact O-N 3.44Å; E137-S140 PolarHBondContact O-N 2.81Å; E137-S140 PolarHBondContact O-OG 3.23Å; E137-L141 WeakPolarHBondContact O-CG 3.4Å
138Q95.2Very high89.6Confident121 Ų12161.3 Ų61.357%0.56533%0.327SS*.Hα-helixtrans-64.2-40.9-179.9-65.1-52.5-42.300112.4S134 E135 S140 L141S134-Q138 WeakPolarHBondContact O-CG 3.33Å; S134-Q138 PolarHBondContact O-N 3.15Å; E135-Q138 PolarHBondContact O-N 2.94Å; Q138-S140 VanDerWaalsContact C-N 3.3Å; Q138-S140 PolarHBondContact O-N 2.76Å; Q138-L141 PolarHBondContact O-N 2.78Å
139F95.1Very high89.9Confident9 Ų962.6 Ų62.64%0.03932%0.321CS..Hα-helixtrans-61.4-39.6177.8-171.2-99.6000111.9E135 E137 L141 L142 W145 F163 F167 Q170E135-F139 WeakPolarHBondContact O-CB 3.44Å; E135-F139 PolarHBondContact O-N 3.41Å; E137-F139 PolarHBondContact O-N 3.44Å; F139-L141 PolarHBondContact O-N 3.19Å; F139-L142 HydrophobicContact CD2-CD1 3.57Å; F139-L142 HydrophobicContact CE2-CD1 3.92Å; F139-L142 HydrophobicContact CG-CD1 4.25Å; F139-L142 WeakPolarHBondContact O-CB 3.38Å; F139-L142 WeakPolarHBondContact O-CG 3.4Å; F139-L142 PolarHBondContact O-N 3.44Å; F139-W145 AromaticContact CD1-NE1 3.69Å; F139-W145 AromaticContact CE1-CD1 3.98Å; F139-W145 AromaticContact CE1-CE2 3.59Å; F139-W145 AromaticContact CE1-CZ2 3.83Å; F139-W145 HydrophobicContact CE1-CZ2 3.83Å; F139-W145 AromaticContact CE1-NE1 3.08Å; F139-W145 AromaticContact CE2-NE1 3.88Å; F139-W145 AromaticContact CZ-CE2 3.64Å; F139-W145 AromaticContact CZ-CZ2 3.57Å; F139-W145 HydrophobicContact CZ-CZ2 3.57Å; F139-W145 AromaticContact CZ-NE1 3.21Å; F139-W145 VanDerWaalsContact O-CD1 3.29Å; F139-F163 HydrophobicContact CD1-CD2 4.29Å; F139-F163 AromaticContact CD1-CE2 3.69Å; F139-F163 HydrophobicContact CD1-CE2 3.69Å; F139-F163 HydrophobicContact CD1-CZ 4.2Å; F139-F163 AromaticContact CE1-CD2 3.87Å; F139-F163 HydrophobicContact CE1-CD2 3.87Å; F139-F163 AromaticContact CE1-CE2 3.76Å; F139-F163 HydrophobicContact CE1-CE2 3.76Å; F139-F163 HydrophobicContact CE1-CZ 4.48Å; F139-F167 HydrophobicContact CB-CD2 4Å; F139-F167 HydrophobicContact CD1-CB 3.69Å; F139-F167 HydrophobicContact CD1-CD2 4.02Å; F139-F167 HydrophobicContact CD1-CG 4.26Å; F139-F167 HydrophobicContact CE1-CB 3.55Å; F139-F167 HydrophobicContact CG-CB 4.3Å; F139-F167 AromaticContact CG-CD2 3.95Å; F139-F167 HydrophobicContact CG-CD2 3.95Å; F139-F167 HydrophobicContact CZ-CB 4.06Å; F139-F167 VanDerWaalsContact CZ-N 3.35Å; F139-Q170 VanDerWaalsContact CE2-OE1 3.31Å
140S95.3Very high89.9Confident15 Ų1564.5 Ų64.511%0.10533%0.329CS..Hα-helixtrans-63.1-23.6179.176.40000113.9L136 E137 Q138L136-S140 WeakPolarHBondContact O-CB 3.49Å; L136-S140 PolarHBondContact O-N 2.89Å; E137-S140 PolarHBondContact O-N 2.81Å; E137-S140 PolarHBondContact O-OG 3.23Å; Q138-S140 VanDerWaalsContact C-N 3.3Å; Q138-S140 PolarHBondContact O-N 2.76Å
141L94.9Very high89.3Confident114 Ų11467.9 Ų67.960%0.59734%0.339SS*.THydrogen-bonded Turntrans-91-5.3-178.8-61.9174.1000113.3E137 Q138 F139E137-L141 WeakPolarHBondContact O-CG 3.4Å; Q138-L141 PolarHBondContact O-N 2.78Å; F139-L141 PolarHBondContact O-N 3.19Å
142L93.3Very high88.1Confident69 Ų6969 Ų6936%0.36134%0.341SS..SBendtrans-61.8136.3-179.7-67.1174.9000110.4F139 T144 W145F139-L142 HydrophobicContact CD2-CD1 3.57Å; F139-L142 HydrophobicContact CE2-CD1 3.92Å; F139-L142 HydrophobicContact CG-CD1 4.25Å; F139-L142 WeakPolarHBondContact O-CB 3.38Å; F139-L142 WeakPolarHBondContact O-CG 3.4Å; F139-L142 PolarHBondContact O-N 3.44Å; L142-T144 PolarHBondContact O-N 3.4Å; L142-W145 PolarHBondContact O-N 3.04Å
143P89.6Confident86.4Confident101 Ų10170.9 Ų70.966%0.65635%0.351SS*.G310 helixtrans-54.9-20.8176.1-25.533.8000113.3W145 S146P143-W145 PolarHBondContact O-N 3.26Å; P143-S146 WeakPolarHBondContact O-CB 3.35Å; P143-S146 PolarHBondContact O-N 3.1Å; P143-S146 PolarHBondContact O-OG 3.43Å; P143-S146 VanDerWaalsContact O-OG 3.09Å
144T89.1Confident84.7Confident55 Ų5577.6 Ų77.634%0.33737%0.374SS..G310 helixtrans-52.6-35.4174.3-57.90000112.9L142 R149L142-T144 PolarHBondContact O-N 3.4Å; T144-R149 PolarHBondContact O-NE 3.49Å; T144-R149 PolarHBondContact O-NH2 2.99Å
145W90.8Very high82.6Confident14 Ų1483 Ų835%0.05339%0.393CS..G310 helixtrans-107.331.7-175.1-49115.5000112.4Y97 V102 F139 L142 P143 F163Y97-W145 AromaticContact CD1-CE3 3.94Å; Y97-W145 HydrophobicContact CD1-CE3 3.94Å; Y97-W145 HydrophobicContact CD1-CZ3 4.36Å; Y97-W145 HydrophobicContact CD2-CB 4.27Å; Y97-W145 AromaticContact CE1-CE3 3.88Å; Y97-W145 HydrophobicContact CE1-CE3 3.88Å; Y97-W145 HydrophobicContact CE1-CZ3 4.37Å; Y97-W145 HydrophobicContact CE2-CB 4.14Å; Y97-W145 WeakPolarHBondContact CE2-O 3.44Å; Y97-W145 HydrophobicContact CG-CE3 4.38Å; V102-W145 HydrophobicContact CG2-CB 3.36Å; V102-W145 HydrophobicContact CG2-CG 4.19Å; F139-W145 AromaticContact CD1-NE1 3.69Å; F139-W145 AromaticContact CE1-CD1 3.98Å; F139-W145 AromaticContact CE1-CE2 3.59Å; F139-W145 AromaticContact CE1-CZ2 3.83Å; F139-W145 HydrophobicContact CE1-CZ2 3.83Å; F139-W145 AromaticContact CE1-NE1 3.08Å; F139-W145 AromaticContact CE2-NE1 3.88Å; F139-W145 AromaticContact CZ-CE2 3.64Å; F139-W145 AromaticContact CZ-CZ2 3.57Å; F139-W145 HydrophobicContact CZ-CZ2 3.57Å; F139-W145 AromaticContact CZ-NE1 3.21Å; F139-W145 VanDerWaalsContact O-CD1 3.29Å; L142-W145 PolarHBondContact O-N 3.04Å; P143-W145 PolarHBondContact O-N 3.26Å; W145-F163 HydrophobicContact CB-CD2 4.31Å; W145-F163 AromaticContact CD1-CD2 3.91Å; W145-F163 AromaticContact CD1-CE2 3.96Å; W145-F163 HydrophobicContact CD2-CB 4.38Å; W145-F163 AromaticContact CD2-CD2 3.51Å; W145-F163 HydrophobicContact CD2-CD2 3.51Å; W145-F163 HydrophobicContact CD2-CE2 4.31Å; W145-F163 HydrophobicContact CD2-CG 4.43Å; W145-F163 AromaticContact CE2-CD2 3.72Å; W145-F163 HydrophobicContact CE3-CB 3.94Å; W145-F163 AromaticContact CE3-CD2 3.9Å; W145-F163 HydrophobicContact CE3-CD2 3.9Å; W145-F163 HydrophobicContact CE3-CG 4.43Å; W145-F163 AromaticContact CG-CD2 3.67Å; W145-F163 HydrophobicContact CG-CD2 3.67Å; W145-F163 HydrophobicContact CG-CE2 4.03Å; W145-F163 VanDerWaalsContact CH2-CA 3.4Å; W145-F163 HydrophobicContact CH2-CB 4.18Å; W145-F163 HydrophobicContact CZ2-CD2 4.32Å; W145-F163 HydrophobicContact CZ3-CB 3.83Å; W145-F163 HydrophobicContact CZ3-CD2 4.47Å; W145-F163 AromaticContact NE1-CD2 3.92Å
146S88.5Confident80.4Confident43 Ų4387.8 Ų87.830%0.30141%0.413SS..  trans-75.9145173.766.40000111.3Y97 P143 H148 R149Y97-S146 PolarHBondContact OH-O 3.33Å; P143-S146 WeakPolarHBondContact O-CB 3.35Å; P143-S146 PolarHBondContact O-N 3.1Å; P143-S146 PolarHBondContact O-OG 3.43Å; P143-S146 VanDerWaalsContact O-OG 3.09Å; S146-H148 PolarHBondContact O-N 2.97Å; S146-R149 PolarHBondContact O-N 3.3Å
147R87.9Confident78.4Confident152 Ų15289.6 Ų89.657%0.57443%0.431SS*.THydrogen-bonded Turntrans-50.5-30.8-17973.7-179.4-157.4158.69.9114.8S99 R149 F150S99-R147 WeakPolarHBondContact O-CB 3.41Å; R147-R149 PolarHBondContact O-N 3.08Å; R147-F150 WeakPolarHBondContact O-CB 3.32Å; R147-F150 PolarHBondContact O-N 3.38Å
148H84.2Confident77Confident126 Ų12689.4 Ų89.458%0.58344%0.437SS*.Hα-helixtrans-66.5-27.9-178.3-65.3-70.5000112.7S146S146-H148 PolarHBondContact O-N 2.97Å
149R81.2Confident76.3Confident81 Ų8184 Ų8431%0.30641%0.412SS..Hα-helixtrans-91.3-5.4-179.9-52.9-155.1-46.6173.435.7113.2T144 S146 R147 E151 E152 E153T144-R149 PolarHBondContact O-NE 3.49Å; T144-R149 PolarHBondContact O-NH2 2.99Å; S146-R149 PolarHBondContact O-N 3.3Å; R147-R149 PolarHBondContact O-N 3.08Å; R149-E151 VanDerWaalsContact C-N 3.33Å; R149-E152 PolarHBondContact O-N 3.3Å; R149-E153 IonicContact NH2-OE1 3.94Å; R149-E153 WeakPolarHBondContact O-CG 3.47Å; R149-E153 PolarHBondContact O-N 2.52Å; R149-E153 VanDerWaalsContact O-N 3.09Å
150F78.6Confident76Confident40 Ų4083.9 Ų83.918%0.17541%0.412CS..Hα-helixtrans-64.2-41.7176.8-172.2-88.7000111.1Y97 T98 R147 R154 C159Y97-F150 AromaticContact CD1-CD2 3.85Å; Y97-F150 HydrophobicContact CD1-CD2 3.85Å; Y97-F150 HydrophobicContact CD1-CE2 4.27Å; Y97-F150 HydrophobicContact CD2-CD2 4.44Å; Y97-F150 HydrophobicContact CE1-CB 4.38Å; Y97-F150 AromaticContact CE1-CD2 3.64Å; Y97-F150 HydrophobicContact CE1-CD2 3.64Å; Y97-F150 HydrophobicContact CE1-CE2 4.46Å; Y97-F150 HydrophobicContact CE1-CG 4.47Å; Y97-F150 HydrophobicContact CE2-CD2 4.22Å; Y97-F150 HydrophobicContact CG-CD2 4.26Å; Y97-F150 AromaticContact CZ-CD2 3.83Å; Y97-F150 WeakPolarHBondContact OH-CA 3.35Å; Y97-F150 PolarHBondContact OH-N 3.17Å; Y97-F150 VanDerWaalsContact OH-N 3.14Å; T98-F150 VanDerWaalsContact CA-CE2 3.47Å; T98-F150 WeakPolarHBondContact O-CD2 3.3Å; R147-F150 WeakPolarHBondContact O-CB 3.32Å; R147-F150 PolarHBondContact O-N 3.38Å; F150-R154 PolarHBondContact O-N 2.97Å; F150-C159 HydrophobicContact CD2-CB 3.84Å; F150-C159 HydrophobicContact CE2-CB 3.67Å; F150-C159 HydrophobicContact CZ-CB 4.29Å; F150-C159 PolarHBondContact O-SG 3.23Å; F150-C159 VanDerWaalsContact O-SG 3.4Å
151E66Low75.8Confident158 Ų15884 Ų8474%0.73841%0.411SS*.Hα-helixtrans-72.8-35179-67.3178.1175.600112.1R149 R154R149-E151 VanDerWaalsContact C-N 3.33Å; E151-R154 PolarHBondContact O-N 3.21Å
152E60.2Low75.6Confident130 Ų13079.2 Ų79.261%0.60739%0.389SS*.Hα-helixtrans-65.1-36.4175.9-62.7174.8179.400112.2R149R149-E152 PolarHBondContact O-N 3.3Å
153E56.3Low75.6Confident58 Ų5876 Ų7627%0.27137%0.372SS..Hα-helixtrans-84-14.1-179.2-72.8-171.9-170.800113.8R149 E155 F156 C159R149-E153 IonicContact NH2-OE1 3.94Å; R149-E153 WeakPolarHBondContact O-CG 3.47Å; R149-E153 PolarHBondContact O-N 2.52Å; R149-E153 VanDerWaalsContact O-N 3.09Å; E153-E155 PolarHBondContact O-N 3.25Å; E153-E155 VanDerWaalsContact O-N 3.16Å; E153-F156 PolarHBondContact O-N 2.87Å; E153-C159 VanDerWaalsContact C-SG 3.55Å; E153-C159 HydrophobicContact CB-CB 4.5Å
154R57.8Low75.9Confident170 Ų17071.1 Ų71.164%0.64234%0.34SS*.G310 helixtrans-62.1-24.8-178.3-162.4-178.8-174.4-160.12.9112.5E82 F150 E151 F156E82-R154 IonicContact OE1-NH2 2.69Å; E82-R154 PolarHBondContact OE1-NH2 2.93Å; F150-R154 PolarHBondContact O-N 2.97Å; E151-R154 PolarHBondContact O-N 3.21Å; R154-F156 VanDerWaalsContact C-N 3.26Å; R154-F156 PolarHBondContact O-N 3.13Å
155E47.8Very low76.1Confident165 Ų16569.2 Ų69.277%0.77133%0.328SS*.G310 helixtrans-70.3-17.8177.4-163.6170.3-170.100113.2E153E153-E155 PolarHBondContact O-N 3.25Å; E153-E155 VanDerWaalsContact O-N 3.16Å
156F45.2Very low76.3Confident164 Ų16470.9 Ų70.972%0.71934%0.341SS*.G310 helixtrans-12011.8-171.7-62.9-79.7000115.4E153 R154E153-F156 PolarHBondContact O-N 2.87Å; R154-F156 VanDerWaalsContact C-N 3.26Å; R154-F156 PolarHBondContact O-N 3.13Å
157G54.5Low76.6Confident37 Ų3768.8 Ų68.838%0.38133%0.327SS..SBendtrans119.3173.7175.200000113.9C159G157-C159 PolarHBondContact O-N 3.04Å
158S64.8Low76.9Confident55 Ų5562.2 Ų62.239%0.38530%0.303SS..  trans-53.5107.2-173.3174.50000112.5C160 Y161 G162S158-C160 PolarHBondContact O-N 2.88Å; S158-C160 PolarHBondContact OG-SG 3.38Å; S158-Y161 WeakPolarHBondContact O-CB 3.49Å; S158-Y161 PolarHBondContact O-N 2.89Å; S158-Y161 VanDerWaalsContact O-N 3.1Å; S158-G162 PolarHBondContact O-N 3.08Å; S158-G162 VanDerWaalsContact O-N 3.08Å
159C81.6Confident77.3Confident7 Ų756.9 Ų56.95%0.04728%0.279CS..Hα-helixtrans-58.2-37.2-177.2-51.80000111.6Y97 F150 E153 G157 G162 F163Y97-C159 HydrophobicContact CD1-CB 3.9Å; Y97-C159 HydrophobicContact CE1-CB 3.95Å; F150-C159 HydrophobicContact CD2-CB 3.84Å; F150-C159 HydrophobicContact CE2-CB 3.67Å; F150-C159 HydrophobicContact CZ-CB 4.29Å; F150-C159 PolarHBondContact O-SG 3.23Å; F150-C159 VanDerWaalsContact O-SG 3.4Å; E153-C159 VanDerWaalsContact C-SG 3.55Å; E153-C159 HydrophobicContact CB-CB 4.5Å; G157-C159 PolarHBondContact O-N 3.04Å; C159-G162 PolarHBondContact O-N 3.04Å; C159-F163 PolarHBondContact O-N 2.92Å
160C88.5Confident77.8Confident7 Ų755.9 Ų55.95%0.04728%0.278CS..Hα-helixtrans-68.3-35.5177.861.60000113H84 V85 Y97 S158 G162 F163 A164H84-C160 PolarHBondContact ND1-SG 3.31Å; V85-C160 HydrophobicContact CB-CB 4.46Å; V85-C160 PolarHBondContact N-SG 3.07Å; V85-C160 VanDerWaalsContact N-SG 3.38Å; Y97-C160 VanDerWaalsContact O-CB 3.32Å; Y97-C160 WeakPolarHBondContact O-CB 3.33Å; S158-C160 PolarHBondContact O-N 2.88Å; S158-C160 PolarHBondContact OG-SG 3.38Å; C160-G162 VanDerWaalsContact C-N 3.34Å; C160-F163 PolarHBondContact O-N 3.41Å; C160-A164 PolarHBondContact O-N 3.42Å; C160-A164 VanDerWaalsContact O-N 3.13Å
161Y91.4Very high78.3Confident19 Ų1955.2 Ų55.28%0.07528%0.276CS..Hα-helixtrans-64.5-42171.1-166.8-72.6000111.2F64 V85 S158 F163 A164 L165 R182 F185 T186 V190F64-Y161 AromaticContact CZ-CD2 3.99Å; F64-Y161 HydrophobicContact CZ-CD2 3.99Å; F64-Y161 AromaticContact CZ-CE2 3.81Å; F64-Y161 HydrophobicContact CZ-CE2 3.81Å; V85-Y161 HydrophobicContact CG2-CD2 4.07Å; S158-Y161 WeakPolarHBondContact O-CB 3.49Å; S158-Y161 PolarHBondContact O-N 2.89Å; S158-Y161 VanDerWaalsContact O-N 3.1Å; Y161-F163 PolarHBondContact O-N 3.27Å; Y161-A164 PolarHBondContact O-N 3.44Å; Y161-L165 HydrophobicContact CD1-CB 4.24Å; Y161-L165 HydrophobicContact CE1-CB 4.04Å; Y161-L165 HydrophobicContact CE1-CD2 3.88Å; Y161-L165 WeakPolarHBondContact O-CB 3.45Å; Y161-L165 PolarHBondContact O-N 3.5Å; Y161-R182 HydrophobicContact CD1-CG 4.19Å; Y161-R182 HydrophobicContact CE1-CB 4.22Å; Y161-R182 HydrophobicContact CE1-CG 3.64Å; Y161-R182 PolarHBondContact OH-O 3.3Å; Y161-F185 VanDerWaalsContact OH-CD1 3.24Å; Y161-F185 WeakPolarHBondContact OH-CD1 3.46Å; Y161-T186 PolarHBondContact OH-N 3.2Å; Y161-T186 PolarHBondContact OH-OG1 3.23Å; Y161-V190 HydrophobicContact CE2-CG2 4.22Å
162G90.6Very high79.5Confident13 Ų1351.6 Ų51.613%0.13426%0.255CS..Hα-helixtrans-58-46.5177.200000112.3S158 C159 C160 S166S158-G162 PolarHBondContact O-N 3.08Å; S158-G162 VanDerWaalsContact O-N 3.08Å; C159-G162 PolarHBondContact O-N 3.04Å; C160-G162 VanDerWaalsContact C-N 3.34Å; G162-S166 WeakPolarHBondContact O-CB 3.33Å; G162-S166 PolarHBondContact O-N 2.66Å; G162-S166 PolarHBondContact O-OG 2.96Å
163F93.4Very high80.9Confident0 Ų052.4 Ų52.40%025%0.253CS..Hα-helixtrans-55-57.1173.2170.8-99.7000112.1Y97 V102 L136 F139 W145 C159 C160 Y161 L165 S166 F167Y97-F163 HydrophobicContact CD1-CB 4.25Å; Y97-F163 HydrophobicContact CG-CB 4.22Å; V102-F163 HydrophobicContact CG1-CE1 4.38Å; V102-F163 HydrophobicContact CG1-CE2 4.04Å; V102-F163 HydrophobicContact CG1-CZ 3.74Å; V102-F163 HydrophobicContact CG2-CD2 4.09Å; V102-F163 HydrophobicContact CG2-CE2 3.67Å; V102-F163 HydrophobicContact CG2-CZ 4.24Å; L136-F163 HydrophobicContact CD1-CZ 4.45Å; F139-F163 HydrophobicContact CD1-CD2 4.29Å; F139-F163 AromaticContact CD1-CE2 3.69Å; F139-F163 HydrophobicContact CD1-CE2 3.69Å; F139-F163 HydrophobicContact CD1-CZ 4.2Å; F139-F163 AromaticContact CE1-CD2 3.87Å; F139-F163 HydrophobicContact CE1-CD2 3.87Å; F139-F163 AromaticContact CE1-CE2 3.76Å; F139-F163 HydrophobicContact CE1-CE2 3.76Å; F139-F163 HydrophobicContact CE1-CZ 4.48Å; W145-F163 HydrophobicContact CB-CD2 4.31Å; W145-F163 AromaticContact CD1-CD2 3.91Å; W145-F163 AromaticContact CD1-CE2 3.96Å; W145-F163 HydrophobicContact CD2-CB 4.38Å; W145-F163 AromaticContact CD2-CD2 3.51Å; W145-F163 HydrophobicContact CD2-CD2 3.51Å; W145-F163 HydrophobicContact CD2-CE2 4.31Å; W145-F163 HydrophobicContact CD2-CG 4.43Å; W145-F163 AromaticContact CE2-CD2 3.72Å; W145-F163 HydrophobicContact CE3-CB 3.94Å; W145-F163 AromaticContact CE3-CD2 3.9Å; W145-F163 HydrophobicContact CE3-CD2 3.9Å; W145-F163 HydrophobicContact CE3-CG 4.43Å; W145-F163 AromaticContact CG-CD2 3.67Å; W145-F163 HydrophobicContact CG-CD2 3.67Å; W145-F163 HydrophobicContact CG-CE2 4.03Å; W145-F163 VanDerWaalsContact CH2-CA 3.4Å; W145-F163 HydrophobicContact CH2-CB 4.18Å; W145-F163 HydrophobicContact CZ2-CD2 4.32Å; W145-F163 HydrophobicContact CZ3-CB 3.83Å; W145-F163 HydrophobicContact CZ3-CD2 4.47Å; W145-F163 AromaticContact NE1-CD2 3.92Å; C159-F163 PolarHBondContact O-N 2.92Å; C160-F163 PolarHBondContact O-N 3.41Å; Y161-F163 PolarHBondContact O-N 3.27Å; F163-L165 PolarHBondContact O-N 2.87Å; F163-S166 PolarHBondContact O-N 3.48Å; F163-F167 PolarHBondContact O-N 3.05Å
164A94.9Very high82.3Confident0 Ų053.6 Ų53.60%027%0.273CS..Hα-helixtrans-61.4-48.9-175.200000111.8F64 V85 V87 C160 Y161 S166 F167 L168F64-A164 HydrophobicContact CD2-CB 3.97Å; F64-A164 HydrophobicContact CE2-CB 3.57Å; V85-A164 HydrophobicContact CG1-CB 3.54Å; V87-A164 HydrophobicContact CG2-CB 3.54Å; C160-A164 PolarHBondContact O-N 3.42Å; C160-A164 VanDerWaalsContact O-N 3.13Å; Y161-A164 PolarHBondContact O-N 3.44Å; A164-S166 VanDerWaalsContact C-N 3.34Å; A164-S166 PolarHBondContact O-N 3.47Å; A164-F167 WeakPolarHBondContact O-CB 3.26Å; A164-F167 PolarHBondContact O-N 3.46Å; A164-L168 WeakPolarHBondContact O-CG 3.06Å; A164-L168 PolarHBondContact O-N 3.08Å; A164-L168 VanDerWaalsContact O-N 3.11Å
165L94.5Very high83.7Confident15 Ų1550.9 Ų50.98%0.07927%0.267CS..Hα-helixtrans-66.1-36.1179.8-179.161.2000112.3Y161 F163 L168 N169 R182 F185Y161-L165 HydrophobicContact CD1-CB 4.24Å; Y161-L165 HydrophobicContact CE1-CB 4.04Å; Y161-L165 HydrophobicContact CE1-CD2 3.88Å; Y161-L165 WeakPolarHBondContact O-CB 3.45Å; Y161-L165 PolarHBondContact O-N 3.5Å; F163-L165 PolarHBondContact O-N 2.87Å; L165-L168 PolarHBondContact O-N 2.87Å; L165-N169 WeakPolarHBondContact O-CB 3.45Å; L165-N169 PolarHBondContact O-N 3.06Å; L165-N169 PolarHBondContact O-ND2 3.01Å; L165-R182 HydrophobicContact CD2-CB 4.06Å; L165-F185 HydrophobicContact CD1-CB 4.05Å; L165-F185 HydrophobicContact CD1-CD2 4Å; L165-F185 HydrophobicContact CD1-CG 3.99Å
166S94.2Very high85.5Confident48 Ų4846.6 Ų46.634%0.33627%0.267SS..Hα-helixtrans-64.5-41.5177.6-64.10000111.7G162 F163 A164 N169 Q170G162-S166 WeakPolarHBondContact O-CB 3.33Å; G162-S166 PolarHBondContact O-N 2.66Å; G162-S166 PolarHBondContact O-OG 2.96Å; F163-S166 PolarHBondContact O-N 3.48Å; A164-S166 VanDerWaalsContact C-N 3.34Å; A164-S166 PolarHBondContact O-N 3.47Å; S166-N169 PolarHBondContact O-N 2.94Å; S166-Q170 PolarHBondContact O-N 2.9Å
167F94.9Very high87.6Confident0 Ų045.5 Ų45.50%026%0.258CS..Hα-helixtrans-58.5-50.4172.5169.5-113.2000111.5V87 W132 E135 L136 F139 F163 A164 N169 Q170 L171V87-F167 HydrophobicContact CG1-CD1 3.97Å; V87-F167 HydrophobicContact CG1-CE1 3.86Å; V87-F167 HydrophobicContact CG2-CD1 4.46Å; W132-F167 HydrophobicContact CD2-CE1 4.13Å; W132-F167 HydrophobicContact CD2-CZ 4.13Å; W132-F167 AromaticContact CE2-CE1 3.78Å; W132-F167 HydrophobicContact CE3-CE1 4.33Å; W132-F167 HydrophobicContact CE3-CZ 4.45Å; W132-F167 AromaticContact CH2-CE1 3.91Å; W132-F167 HydrophobicContact CH2-CE1 3.91Å; W132-F167 AromaticContact CZ2-CE1 3.72Å; W132-F167 HydrophobicContact CZ2-CE1 3.72Å; W132-F167 HydrophobicContact CZ2-CZ 4.49Å; W132-F167 HydrophobicContact CZ3-CE1 4.2Å; E135-F167 HydrophobicContact CB-CE2 4.06Å; L136-F167 VanDerWaalsContact CA-CE2 3.44Å; L136-F167 HydrophobicContact CB-CE1 4.36Å; L136-F167 HydrophobicContact CB-CE2 3.76Å; L136-F167 HydrophobicContact CB-CZ 3.61Å; L136-F167 HydrophobicContact CD1-CD1 3.96Å; L136-F167 HydrophobicContact CD1-CD2 3.99Å; L136-F167 HydrophobicContact CD1-CE1 3.9Å; L136-F167 HydrophobicContact CD1-CE2 3.95Å; L136-F167 HydrophobicContact CD1-CG 3.99Å; L136-F167 HydrophobicContact CD1-CZ 3.88Å; L136-F167 HydrophobicContact CG-CE2 4.45Å; L136-F167 HydrophobicContact CG-CZ 4.2Å; F139-F167 HydrophobicContact CB-CD2 4Å; F139-F167 HydrophobicContact CD1-CB 3.69Å; F139-F167 HydrophobicContact CD1-CD2 4.02Å; F139-F167 HydrophobicContact CD1-CG 4.26Å; F139-F167 HydrophobicContact CE1-CB 3.55Å; F139-F167 HydrophobicContact CG-CB 4.3Å; F139-F167 AromaticContact CG-CD2 3.95Å; F139-F167 HydrophobicContact CG-CD2 3.95Å; F139-F167 HydrophobicContact CZ-CB 4.06Å; F139-F167 VanDerWaalsContact CZ-N 3.35Å; F163-F167 PolarHBondContact O-N 3.05Å; A164-F167 WeakPolarHBondContact O-CB 3.26Å; A164-F167 PolarHBondContact O-N 3.46Å; F167-N169 VanDerWaalsContact C-N 3.29Å; F167-N169 PolarHBondContact O-N 2.81Å; F167-Q170 WeakPolarHBondContact O-CB 3.4Å; F167-Q170 PolarHBondContact O-N 3.04Å; F167-Q170 VanDerWaalsContact O-N 3.07Å; F167-L171 HydrophobicContact CD1-CD1 4.43Å; F167-L171 HydrophobicContact CE1-CD1 3.65Å; F167-L171 HydrophobicContact CE1-CG 4.46Å; F167-L171 HydrophobicContact CE2-CD1 3.94Å; F167-L171 HydrophobicContact CE2-CD2 4.36Å; F167-L171 HydrophobicContact CE2-CG 3.97Å; F167-L171 HydrophobicContact CZ-CD1 3.37Å; F167-L171 HydrophobicContact CZ-CD2 4.44Å; F167-L171 HydrophobicContact CZ-CG 3.94Å; F167-L171 PolarHBondContact O-N 3.35Å
168L93.5Very high89.4Confident13 Ų1351.8 Ų51.87%0.06828%0.278CS..Hα-helixtrans-60.1-41179.1-63.4-179.6000112F64 L117 W132 A164 L165 Q170 L171 R172 F185F64-L168 HydrophobicContact CD2-CD1 4.05Å; L117-L168 HydrophobicContact CD1-CD1 3.53Å; L117-L168 HydrophobicContact CD1-CD2 3.38Å; L117-L168 HydrophobicContact CD1-CG 4.08Å; W132-L168 HydrophobicContact CH2-CD2 3.52Å; W132-L168 HydrophobicContact CZ2-CD2 4.49Å; W132-L168 HydrophobicContact CZ3-CD2 3.96Å; A164-L168 WeakPolarHBondContact O-CG 3.06Å; A164-L168 PolarHBondContact O-N 3.08Å; A164-L168 VanDerWaalsContact O-N 3.11Å; L165-L168 PolarHBondContact O-N 2.87Å; L168-Q170 VanDerWaalsContact C-N 3.32Å; L168-Q170 PolarHBondContact O-N 3.22Å; L168-L171 PolarHBondContact O-N 3.36Å; L168-R172 VanDerWaalsContact O-CG 3.25Å; L168-R172 WeakPolarHBondContact O-CG 3.44Å; L168-R172 PolarHBondContact O-N 2.96Å; L168-F185 HydrophobicContact CD1-CD2 4.48Å; L168-F185 HydrophobicContact CD1-CE2 3.53Å; L168-F185 HydrophobicContact CD1-CZ 3.57Å
169N93.6Very high90.7Very high14 Ų1452.1 Ų52.18%0.07528%0.28CS..Hα-helixtrans-68.7-29.9177-80.3-27.8000112.8L165 S166 F167 R173 S179 V180L165-N169 WeakPolarHBondContact O-CB 3.45Å; L165-N169 PolarHBondContact O-N 3.06Å; L165-N169 PolarHBondContact O-ND2 3.01Å; S166-N169 PolarHBondContact O-N 2.94Å; F167-N169 VanDerWaalsContact C-N 3.29Å; F167-N169 PolarHBondContact O-N 2.81Å; N169-R173 VanDerWaalsContact O-CG 3.25Å; N169-R173 WeakPolarHBondContact O-CG 3.32Å; N169-R173 PolarHBondContact O-N 3.4Å; N169-R173 PolarHBondContact O-NH1 2.94Å; N169-S179 WeakPolarHBondContact OD1-CA 3.34Å; N169-V180 PolarHBondContact ND2-O 3.44Å; N169-V180 PolarHBondContact OD1-N 3.03Å
170Q91.8Very high91.3Very high61 Ų6152.8 Ų52.829%0.28528%0.284SS..Hα-helixtrans-64.3-48.5170.4174.1169.1-41.700111.1E135 F139 S166 F167 L168 R172 R173 A174E135-Q170 PolarHBondContact OE2-NE2 2.97Å; F139-Q170 VanDerWaalsContact CE2-OE1 3.31Å; S166-Q170 PolarHBondContact O-N 2.9Å; F167-Q170 WeakPolarHBondContact O-CB 3.4Å; F167-Q170 PolarHBondContact O-N 3.04Å; F167-Q170 VanDerWaalsContact O-N 3.07Å; L168-Q170 VanDerWaalsContact C-N 3.32Å; L168-Q170 PolarHBondContact O-N 3.22Å; Q170-R172 VanDerWaalsContact C-N 3.35Å; Q170-R172 PolarHBondContact O-N 2.89Å; Q170-R173 PolarHBondContact O-N 3.14Å; Q170-A174 PolarHBondContact O-N 2.99Å
171L90Very high91.6Very high25 Ų2555.9 Ų55.913%0.13130%0.303CS..Hα-helixtrans-59-45.9176.4-72.7-179.9000111.9W132 E135 F167 L168 R173 A174 E175W132-L171 HydrophobicContact CD2-CD1 4Å; W132-L171 HydrophobicContact CE3-CD1 3.24Å; W132-L171 HydrophobicContact CH2-CD1 4.37Å; W132-L171 HydrophobicContact CZ3-CD1 3.44Å; W132-L171 VanDerWaalsContact CZ3-CD1 3.44Å; E135-L171 HydrophobicContact CB-CD2 3.74Å; E135-L171 HydrophobicContact CG-CD2 3.8Å; F167-L171 HydrophobicContact CD1-CD1 4.43Å; F167-L171 HydrophobicContact CE1-CD1 3.65Å; F167-L171 HydrophobicContact CE1-CG 4.46Å; F167-L171 HydrophobicContact CE2-CD1 3.94Å; F167-L171 HydrophobicContact CE2-CD2 4.36Å; F167-L171 HydrophobicContact CE2-CG 3.97Å; F167-L171 HydrophobicContact CZ-CD1 3.37Å; F167-L171 HydrophobicContact CZ-CD2 4.44Å; F167-L171 HydrophobicContact CZ-CG 3.94Å; F167-L171 PolarHBondContact O-N 3.35Å; L168-L171 PolarHBondContact O-N 3.36Å; L171-R173 VanDerWaalsContact C-N 3.32Å; L171-R173 PolarHBondContact O-N 2.89Å; L171-A174 WeakPolarHBondContact O-CB 3.46Å; L171-A174 PolarHBondContact O-N 3.26Å; L171-A174 VanDerWaalsContact O-N 3.13Å; L171-E175 WeakPolarHBondContact O-CG 3.32Å; L171-E175 PolarHBondContact O-N 3.09Å
172R90.1Very high91.6Very high82 Ų8259.8 Ų59.831%0.30932%0.317SS..Hα-helixtrans-57.9-44177-71.7176.271.494.20.5111.9L168 Q170 E175 G176 R177 E178L168-R172 VanDerWaalsContact O-CG 3.25Å; L168-R172 WeakPolarHBondContact O-CG 3.44Å; L168-R172 PolarHBondContact O-N 2.96Å; Q170-R172 VanDerWaalsContact C-N 3.35Å; Q170-R172 PolarHBondContact O-N 2.89Å; R172-E175 CarbonylContact O-C 3.51Å; R172-E175 PolarHBondContact O-N 3.23Å; R172-E175 VanDerWaalsContact O-N 3.15Å; R172-G176 PolarHBondContact O-N 3.29Å; R172-R177 CarbonylContact C-O 3.44Å; R172-R177 HydrophobicContact CB-CB 4.08Å; R172-R177 WeakPolarHBondContact O-CA 3.36Å; R172-R177 WeakPolarHBondContact O-CB 3.11Å; R172-R177 PolarHBondContact O-N 3.34Å; R172-E178 PolarHBondContact NE-O 3.2Å; R172-E178 PolarHBondContact NH2-O 3.04Å; R172-E178 VanDerWaalsContact NH2-O 3.11Å
173R90.4Very high91.7Very high147 Ų14764.8 Ų64.856%0.55534%0.341SS*.Hα-helixtrans-63.6-40.3176.3-73.3178.4-164.2111.2-2.4112N169 Q170 L171 E175 G176N169-R173 VanDerWaalsContact O-CG 3.25Å; N169-R173 WeakPolarHBondContact O-CG 3.32Å; N169-R173 PolarHBondContact O-N 3.4Å; N169-R173 PolarHBondContact O-NH1 2.94Å; Q170-R173 PolarHBondContact O-N 3.14Å; L171-R173 VanDerWaalsContact C-N 3.32Å; L171-R173 PolarHBondContact O-N 2.89Å; R173-E175 PolarHBondContact O-N 3.23Å; R173-G176 PolarHBondContact O-N 3.01Å
174A85.8Confident91.7Very high83 Ų8368.4 Ų68.469%0.68636%0.36SS*.Hα-helixtrans-62.6-30.717500000112.2Q170 L171 G176Q170-A174 PolarHBondContact O-N 2.99Å; L171-A174 WeakPolarHBondContact O-CB 3.46Å; L171-A174 PolarHBondContact O-N 3.26Å; L171-A174 VanDerWaalsContact O-N 3.13Å; A174-G176 VanDerWaalsContact C-N 3.3Å
175E85.4Confident91.7Very high114 Ų11468.9 Ų68.953%0.53336%0.362SS..THydrogen-bonded Turntrans-83.42.9173.4-64.9177.6152.500114L171 R172 R173 R177L171-E175 WeakPolarHBondContact O-CG 3.32Å; L171-E175 PolarHBondContact O-N 3.09Å; R172-E175 CarbonylContact O-C 3.51Å; R172-E175 PolarHBondContact O-N 3.23Å; R172-E175 VanDerWaalsContact O-N 3.15Å; R173-E175 PolarHBondContact O-N 3.23Å; E175-R177 VanDerWaalsContact C-N 3.27Å; E175-R177 HydrophobicContact CB-CG 4.19Å; E175-R177 PolarHBondContact O-N 3.22Å; E175-R177 IonicContact OE1-NH1 3.2Å; E175-R177 WeakPolarHBondContact OE2-CD 3.48Å; E175-R177 IonicContact OE2-CZ 3.44Å; E175-R177 IonicContact OE2-NE 3.98Å; E175-R177 PolarHBondContact OE2-NE 3.1Å; E175-R177 IonicContact OE2-NH1 3.82Å; E175-R177 PolarHBondContact OE2-NH1 3.08Å
176G86.4Confident91.6Very high74 Ų7469.8 Ų69.876%0.76337%0.368SS*.THydrogen-bonded Turntrans71.717.6-176.100000114.5R172 R173 A174R172-G176 PolarHBondContact O-N 3.29Å; R173-G176 PolarHBondContact O-N 3.01Å; A174-G176 VanDerWaalsContact C-N 3.3Å
177R89.9Confident91.6Very high142 Ų14273.2 Ų73.254%0.53638%0.379SS..PPolyproline II helixtrans-95.4150177.4-60.4173.6176.7168.8-5.5110.9R172 E175R172-R177 CarbonylContact C-O 3.44Å; R172-R177 HydrophobicContact CB-CB 4.08Å; R172-R177 WeakPolarHBondContact O-CA 3.36Å; R172-R177 WeakPolarHBondContact O-CB 3.11Å; R172-R177 PolarHBondContact O-N 3.34Å; E175-R177 VanDerWaalsContact C-N 3.27Å; E175-R177 HydrophobicContact CB-CG 4.19Å; E175-R177 PolarHBondContact O-N 3.22Å; E175-R177 IonicContact OE1-NH1 3.2Å; E175-R177 WeakPolarHBondContact OE2-CD 3.48Å; E175-R177 IonicContact OE2-CZ 3.44Å; E175-R177 IonicContact OE2-NE 3.98Å; E175-R177 PolarHBondContact OE2-NE 3.1Å; E175-R177 IonicContact OE2-NH1 3.82Å; E175-R177 PolarHBondContact OE2-NH1 3.08Å
178E91.2Very high91.6Very high169 Ų16978.8 Ų78.879%0.7941%0.405SS*.PPolyproline II helixtrans-66.1145.7174.4-64.8-175161.100111.9R172R172-E178 PolarHBondContact NE-O 3.2Å; R172-E178 PolarHBondContact NH2-O 3.04Å; R172-E178 VanDerWaalsContact NH2-O 3.11Å
179S92.8Very high91.5Very high61 Ų6181.1 Ų81.143%0.42742%0.415SS..PPolyproline II helixtrans-68.1145.817253.90000111N169N169-S179 WeakPolarHBondContact OD1-CA 3.34Å
180V94.3Very high91.5Very high22 Ų2281 Ų8113%0.13342%0.416CS..PPolyproline II helixtrans-101.1140.4177.4-177.10000109.2N169 D184 F185N169-V180 PolarHBondContact ND2-O 3.44Å; N169-V180 PolarHBondContact OD1-N 3.03Å; V180-D184 HydrophobicContact CG1-CB 3.58Å; V180-F185 HydrophobicContact CG1-CB 3.88Å
181T93.9Very high91.5Very high72 Ų7280.4 Ų80.444%0.44241%0.414SS..PPolyproline II helixtrans-73.4164.3176.471.50000111.1D183 D184 F185T181-D183 VanDerWaalsContact C-N 3.26Å; T181-D183 PolarHBondContact O-N 3.29Å; T181-D184 WeakPolarHBondContact OG1-CB 3.24Å; T181-D184 PolarHBondContact OG1-N 3.36Å; T181-D184 VanDerWaalsContact OG1-N 3.08Å; T181-D184 PolarHBondContact OG1-OD2 2.93Å; T181-F185 WeakPolarHBondContact O-CB 3.34Å; T181-F185 PolarHBondContact O-N 3.47Å
182R91.8Very high91.7Very high100 Ų10082 Ų8238%0.37743%0.426SS..Hα-helixtrans-57.5-43.1173.7172174.8-80.9135.4-10.8111.4Y161 L165 T186Y161-R182 HydrophobicContact CD1-CG 4.19Å; Y161-R182 HydrophobicContact CE1-CB 4.22Å; Y161-R182 HydrophobicContact CE1-CG 3.64Å; Y161-R182 PolarHBondContact OH-O 3.3Å; L165-R182 HydrophobicContact CD2-CB 4.06Å; R182-T186 VanDerWaalsContact O-CB 3.27Å; R182-T186 WeakPolarHBondContact O-CB 3.28Å; R182-T186 PolarHBondContact O-N 3.5Å; R182-T186 PolarHBondContact O-OG1 2.71Å
183D92.4Very high91.8Very high118 Ų11881.2 Ų81.263%0.63143%0.426SS*.Hα-helixtrans-69.2-47.4-176.2-65.8-11.3000111.2T181 F185 T186 Q187T181-D183 VanDerWaalsContact C-N 3.26Å; T181-D183 PolarHBondContact O-N 3.29Å; D183-F185 PolarHBondContact O-N 3.13Å; D183-T186 PolarHBondContact O-N 3.49Å; D183-Q187 WeakPolarHBondContact O-CB 3.37Å; D183-Q187 VanDerWaalsContact O-CG 3.25Å; D183-Q187 WeakPolarHBondContact O-CG 3.23Å; D183-Q187 PolarHBondContact O-N 3.29Å
184D94.9Very high91.9Very high76 Ų7675.1 Ų75.141%0.40640%0.404SS..Hα-helixtrans-61.3-45.2178.5-67.1-41.8000111.5V180 T181 T186 Q187 Q188V180-D184 HydrophobicContact CG1-CB 3.58Å; T181-D184 WeakPolarHBondContact OG1-CB 3.24Å; T181-D184 PolarHBondContact OG1-N 3.36Å; T181-D184 VanDerWaalsContact OG1-N 3.08Å; T181-D184 PolarHBondContact OG1-OD2 2.93Å; D184-T186 VanDerWaalsContact C-N 3.32Å; D184-T186 PolarHBondContact O-N 2.97Å; D184-Q187 PolarHBondContact O-N 3.49Å; D184-Q188 VanDerWaalsContact O-CB 3.3Å; D184-Q188 WeakPolarHBondContact O-CB 3.08Å; D184-Q188 WeakPolarHBondContact O-CG 3.46Å; D184-Q188 PolarHBondContact O-N 2.88Å
185F93.9Very high92.3Very high11 Ų1176 Ų765%0.04839%0.393CS..Hα-helixtrans-63.5-42.1177.3-169.9-85.4000111.1F64 L117 Y161 L165 L168 V180 T181 D183 Q188 H189 V190F64-F185 HydrophobicContact CB-CZ 4.35Å; F64-F185 HydrophobicContact CD1-CE1 4.18Å; F64-F185 AromaticContact CD2-CE1 3.82Å; F64-F185 HydrophobicContact CD2-CE1 3.82Å; F64-F185 AromaticContact CD2-CZ 3.85Å; F64-F185 HydrophobicContact CD2-CZ 3.85Å; F64-F185 HydrophobicContact CE1-CE1 4.13Å; F64-F185 AromaticContact CE2-CE1 3.74Å; F64-F185 HydrophobicContact CE2-CE1 3.74Å; F64-F185 HydrophobicContact CE2-CZ 4.2Å; F64-F185 HydrophobicContact CG-CE1 4.02Å; F64-F185 HydrophobicContact CG-CZ 4.05Å; F64-F185 AromaticContact CZ-CE1 3.9Å; F64-F185 HydrophobicContact CZ-CE1 3.9Å; L117-F185 HydrophobicContact CD2-CE2 4.33Å; L117-F185 HydrophobicContact CD2-CZ 4.22Å; Y161-F185 VanDerWaalsContact OH-CD1 3.24Å; Y161-F185 WeakPolarHBondContact OH-CD1 3.46Å; L165-F185 HydrophobicContact CD1-CB 4.05Å; L165-F185 HydrophobicContact CD1-CD2 4Å; L165-F185 HydrophobicContact CD1-CG 3.99Å; L168-F185 HydrophobicContact CD1-CD2 4.48Å; L168-F185 HydrophobicContact CD1-CE2 3.53Å; L168-F185 HydrophobicContact CD1-CZ 3.57Å; V180-F185 HydrophobicContact CG1-CB 3.88Å; T181-F185 WeakPolarHBondContact O-CB 3.34Å; T181-F185 PolarHBondContact O-N 3.47Å; D183-F185 PolarHBondContact O-N 3.13Å; F185-Q188 PolarHBondContact O-N 2.72Å; F185-H189 HydrophobicContact CD1-CB 4.3Å; F185-H189 AromaticContact CD2-CD2 3.66Å; F185-H189 HydrophobicContact CE1-CB 4.08Å; F185-H189 HydrophobicContact CE2-CB 4.48Å; F185-H189 AromaticContact CE2-CD2 3.73Å; F185-H189 HydrophobicContact CZ-CB 4.17Å; F185-H189 WeakPolarHBondContact O-CB 3.3Å; F185-H189 PolarHBondContact O-N 2.94Å; F185-V190 HydrophobicContact CD1-CG2 4.05Å; F185-V190 HydrophobicContact CE1-CG2 4.05Å
186T92.8Very high92.7Very high33 Ų3374.6 Ų74.620%0.20239%0.392CS..Iπ-helixtrans-61.3-49.3178.7-62.90000110.7Y161 R182 D183 D184 V190 L191Y161-T186 PolarHBondContact OH-N 3.2Å; Y161-T186 PolarHBondContact OH-OG1 3.23Å; R182-T186 VanDerWaalsContact O-CB 3.27Å; R182-T186 WeakPolarHBondContact O-CB 3.28Å; R182-T186 PolarHBondContact O-N 3.5Å; R182-T186 PolarHBondContact O-OG1 2.71Å; D183-T186 PolarHBondContact O-N 3.49Å; D184-T186 VanDerWaalsContact C-N 3.32Å; D184-T186 PolarHBondContact O-N 2.97Å; T186-V190 HydrophobicContact CG2-CB 4.24Å; T186-V190 HydrophobicContact CG2-CG1 4.48Å; T186-V190 WeakPolarHBondContact O-CB 3.25Å; T186-V190 PolarHBondContact O-N 3.34Å; T186-L191 HydrophobicContact CG2-CD1 4.45Å; T186-L191 HydrophobicContact CG2-CD2 4.18Å; T186-L191 HydrophobicContact CG2-CG 3.9Å; T186-L191 PolarHBondContact O-N 3.11Å
187Q94.5Very high93.1Very high121 Ų12171 Ų7157%0.56536%0.356SS*.Iπ-helixtrans-62.3-44.9-179.4-70.5-66.5-27.100112.2D183 D184 L191D183-Q187 WeakPolarHBondContact O-CB 3.37Å; D183-Q187 VanDerWaalsContact O-CG 3.25Å; D183-Q187 WeakPolarHBondContact O-CG 3.23Å; D183-Q187 PolarHBondContact O-N 3.29Å; D184-Q187 PolarHBondContact O-N 3.49Å; Q187-L191 VanDerWaalsContact CD-CD1 3.48Å; Q187-L191 HydrophobicContact CG-CD1 4.48Å
188Q93.6Very high93.3Very high117 Ų11764.3 Ų64.355%0.54733%0.33SS..Iπ-helixtrans-78.9-36.9-173.8-67.2173.92300112.9D184 F185D184-Q188 VanDerWaalsContact O-CB 3.3Å; D184-Q188 WeakPolarHBondContact O-CB 3.08Å; D184-Q188 WeakPolarHBondContact O-CG 3.46Å; D184-Q188 PolarHBondContact O-N 2.88Å; F185-Q188 PolarHBondContact O-N 2.72Å
189H92.3Very high93.4Very high61 Ų6163.3 Ų63.328%0.28232%0.323SS..Iπ-helixtrans-117.1-41.4-167.8-65.3-67.1000113.8V115 F185 H193V115-H189 HydrophobicContact CG1-CB 4.1Å; F185-H189 HydrophobicContact CD1-CB 4.3Å; F185-H189 AromaticContact CD2-CD2 3.66Å; F185-H189 HydrophobicContact CE1-CB 4.08Å; F185-H189 HydrophobicContact CE2-CB 4.48Å; F185-H189 AromaticContact CE2-CD2 3.73Å; F185-H189 HydrophobicContact CZ-CB 4.17Å; F185-H189 WeakPolarHBondContact O-CB 3.3Å; F185-H189 PolarHBondContact O-N 2.94Å; H189-H193 PolarHBondContact O-ND1 3.36Å
190V92.4Very high93.5Very high13 Ų1361.1 Ų61.18%0.07931%0.306CS..Iπ-helixtrans-84.2-53.8-171.8175.20000111.5F64 I66 Y161 F185 T186 P192 H193 V194F64-V190 HydrophobicContact CE1-CG2 3.99Å; F64-V190 HydrophobicContact CZ-CG2 4.47Å; I66-V190 HydrophobicContact CD1-CB 4.37Å; I66-V190 HydrophobicContact CD1-CG1 3.79Å; I66-V190 HydrophobicContact CD1-CG2 4.34Å; Y161-V190 HydrophobicContact CE2-CG2 4.22Å; F185-V190 HydrophobicContact CD1-CG2 4.05Å; F185-V190 HydrophobicContact CE1-CG2 4.05Å; T186-V190 HydrophobicContact CG2-CB 4.24Å; T186-V190 HydrophobicContact CG2-CG1 4.48Å; T186-V190 WeakPolarHBondContact O-CB 3.25Å; T186-V190 PolarHBondContact O-N 3.34Å; V190-P192 VanDerWaalsContact C-CD 3.47Å; V190-H193 PolarHBondContact O-N 3.33Å; V190-H193 VanDerWaalsContact O-N 3.08Å; V190-V194 HydrophobicContact CG1-CG2 3.91Å; V190-V194 PolarHBondContact O-N 3.43Å
191L92.4Very high93.5Very high47 Ų4760.1 Ų60.125%0.24630%0.3CS..Hα-helixtrans-57.6-39-174.2-70-175.8000114.4T186 Q187 H193 V194 K195T186-L191 HydrophobicContact CG2-CD1 4.45Å; T186-L191 HydrophobicContact CG2-CD2 4.18Å; T186-L191 HydrophobicContact CG2-CG 3.9Å; T186-L191 PolarHBondContact O-N 3.11Å; Q187-L191 VanDerWaalsContact CD-CD1 3.48Å; Q187-L191 HydrophobicContact CG-CD1 4.48Å; L191-H193 VanDerWaalsContact C-N 3.28Å; L191-H193 PolarHBondContact O-N 3.35Å; L191-V194 PolarHBondContact O-N 3.5Å; L191-K195 VanDerWaalsContact O-CB 3.28Å; L191-K195 WeakPolarHBondContact O-CB 3.34Å; L191-K195 VanDerWaalsContact O-CG 3.24Å; L191-K195 WeakPolarHBondContact O-CG 3.33Å; L191-K195 PolarHBondContact O-N 3.42Å
192P93.6Very high93.5Very high60 Ų6059 Ų5939%0.3929%0.293SS..Hα-helixtrans-58.9-39.5176.5-25.935.8000113V190 T196V190-P192 VanDerWaalsContact C-CD 3.47Å; P192-T196 WeakPolarHBondContact O-CB 3.46Å; P192-T196 PolarHBondContact O-N 3.07Å; P192-T196 PolarHBondContact O-OG1 3.06Å
193H93.4Very high93.6Very high65 Ų6555.2 Ų55.230%0.30128%0.281SS..Hα-helixtrans-73.8-45.1179.9-64.982.4000110.9L113 H189 V190 L191 K195 T196 A197L113-H193 HydrophobicContact CD1-CB 4.31Å; H189-H193 PolarHBondContact O-ND1 3.36Å; V190-H193 PolarHBondContact O-N 3.33Å; V190-H193 VanDerWaalsContact O-N 3.08Å; L191-H193 VanDerWaalsContact C-N 3.28Å; L191-H193 PolarHBondContact O-N 3.35Å; H193-K195 PolarHBondContact O-N 2.84Å; H193-T196 PolarHBondContact O-N 2.89Å; H193-A197 WeakPolarHBondContact O-CB 3.17Å; H193-A197 PolarHBondContact O-N 3.46Å
194V92.5Very high93.8Very high18 Ų1850.7 Ų50.711%0.10926%0.255CS..Hα-helixtrans-64.1-40.4178.3176.30000111.7I66 L113 V190 L191 T196 A197 S198I66-V194 HydrophobicContact CD1-CG2 4.41Å; L113-V194 HydrophobicContact CD1-CG2 4.07Å; V190-V194 HydrophobicContact CG1-CG2 3.91Å; V190-V194 PolarHBondContact O-N 3.43Å; L191-V194 PolarHBondContact O-N 3.5Å; V194-T196 VanDerWaalsContact C-N 3.34Å; V194-T196 PolarHBondContact O-N 2.9Å; V194-A197 WeakPolarHBondContact O-CB 3.37Å; V194-A197 PolarHBondContact O-N 3.19Å; V194-S198 WeakPolarHBondContact O-CB 3.47Å; V194-S198 PolarHBondContact O-N 3.49Å; V194-S198 PolarHBondContact O-OG 2.96Å
195K93.4Very high93.7Very high102 Ų10250.5 Ų50.544%0.44325%0.252SS..Hα-helixtrans-62.8-40.8174.6-75.4174.2179.2177.60112L191 H193 S198 K199L191-K195 VanDerWaalsContact O-CB 3.28Å; L191-K195 WeakPolarHBondContact O-CB 3.34Å; L191-K195 VanDerWaalsContact O-CG 3.24Å; L191-K195 WeakPolarHBondContact O-CG 3.33Å; L191-K195 PolarHBondContact O-N 3.42Å; H193-K195 PolarHBondContact O-N 2.84Å; K195-S198 PolarHBondContact O-N 3.43Å; K195-K199 WeakPolarHBondContact O-CG 3.4Å; K195-K199 PolarHBondContact O-N 2.93Å; K195-K199 VanDerWaalsContact O-N 3.13Å
196T93.8Very high93.7Very high84 Ų8452.8 Ų52.852%0.51526%0.263SS..Hα-helixtrans-66.4-43.8177.1-57.50000110.8P53 P192 H193 V194 Y200P53-T196 HydrophobicContact CB-CG2 4.33Å; P192-T196 WeakPolarHBondContact O-CB 3.46Å; P192-T196 PolarHBondContact O-N 3.07Å; P192-T196 PolarHBondContact O-OG1 3.06Å; H193-T196 PolarHBondContact O-N 2.89Å; V194-T196 VanDerWaalsContact C-N 3.34Å; V194-T196 PolarHBondContact O-N 2.9Å; T196-Y200 WeakPolarHBondContact O-CB 3.4Å; T196-Y200 PolarHBondContact O-N 3.33Å
197A94.6Very high93.8Very high0 Ų051.3 Ų51.30%025%0.254CS..Hα-helixtrans-58.3-49.2173.800000111.8P53 F54 L75 L113 H193 V194 K199 Y200 I201P53-A197 HydrophobicContact CG-CB 4.33Å; F54-A197 HydrophobicContact CE1-CB 4.09Å; F54-A197 HydrophobicContact CZ-CB 4.07Å; L75-A197 WeakPolarHBondContact O-CB 3.43Å; L113-A197 HydrophobicContact CD1-CB 3.87Å; L113-A197 HydrophobicContact CD2-CB 3.74Å; L113-A197 HydrophobicContact CG-CB 4.38Å; H193-A197 WeakPolarHBondContact O-CB 3.17Å; H193-A197 PolarHBondContact O-N 3.46Å; V194-A197 WeakPolarHBondContact O-CB 3.37Å; V194-A197 PolarHBondContact O-N 3.19Å; A197-K199 PolarHBondContact O-N 2.93Å; A197-Y200 WeakPolarHBondContact O-CB 3.44Å; A197-Y200 PolarHBondContact O-N 3.48Å; A197-Y200 VanDerWaalsContact O-N 3.12Å; A197-I201 HydrophobicContact CB-CD1 4.48Å; A197-I201 WeakPolarHBondContact O-CB 3.43Å; A197-I201 WeakPolarHBondContact O-CD1 3.49Å; A197-I201 WeakPolarHBondContact O-CG1 3.24Å; A197-I201 PolarHBondContact O-N 3.13Å
198S93.9Very high93.7Very high0 Ų052 Ų520%026%0.256CS..Hα-helixtrans-56.3-50.6-179.9-57.90000111.6C76 E77 V194 K195 Y200 I201 T202C76-S198 VanDerWaalsContact CA-OG 3.27Å; C76-S198 WeakPolarHBondContact CA-OG 3.3Å; E77-S198 PolarHBondContact N-OG 2.79Å; V194-S198 WeakPolarHBondContact O-CB 3.47Å; V194-S198 PolarHBondContact O-N 3.49Å; V194-S198 PolarHBondContact O-OG 2.96Å; K195-S198 PolarHBondContact O-N 3.43Å; S198-Y200 VanDerWaalsContact C-N 3.33Å; S198-Y200 PolarHBondContact O-N 2.99Å; S198-I201 PolarHBondContact O-N 2.69Å; S198-T202 PolarHBondContact O-N 3.46Å; S198-T202 PolarHBondContact O-OG1 3.09Å; S198-T202 VanDerWaalsContact O-OG1 3.07Å
199K93.6Very high93.6Very high148 Ų14852.5 Ų52.564%0.64326%0.259SS*.Hα-helixtrans-59.6-43.5176.6-70.5175.1-176.7-1800112.2K195 A197 V203K195-K199 WeakPolarHBondContact O-CG 3.4Å; K195-K199 PolarHBondContact O-N 2.93Å; K195-K199 VanDerWaalsContact O-N 3.13Å; A197-K199 PolarHBondContact O-N 2.93Å; K199-V203 VanDerWaalsContact O-CG2 3.32Å; K199-V203 WeakPolarHBondContact O-CG2 3.4Å; K199-V203 PolarHBondContact O-N 2.96Å; K199-V203 VanDerWaalsContact O-N 3.08Å
200Y95.5Very high93.6Very high15 Ų1555 Ų556%0.05927%0.27CS..Hα-helixtrans-63.9-45.2178.3-174.1-85.3000111.6M1 V5 V50 P51 P53 F54 T196 A197 S198 T202 V203 Y204M1-Y200 HydrophobicContact SD-CD1 3.95Å; M1-Y200 HydrophobicContact SD-CE1 3.76Å; V5-Y200 HydrophobicContact CB-CE2 4.27Å; V5-Y200 HydrophobicContact CG2-CE2 4.16Å; V50-Y200 HydrophobicContact CB-CE2 4.46Å; V50-Y200 HydrophobicContact CG1-CD2 3.91Å; V50-Y200 HydrophobicContact CG1-CE2 3.99Å; P51-Y200 WeakPolarHBondContact O-CE2 3.16Å; P53-Y200 VanDerWaalsContact CD-CG 3.42Å; P53-Y200 HydrophobicContact CG-CD1 4.16Å; P53-Y200 HydrophobicContact CG-CD2 4.45Å; P53-Y200 HydrophobicContact CG-CG 3.89Å; F54-Y200 HydrophobicContact CE2-CD1 4.25Å; T196-Y200 WeakPolarHBondContact O-CB 3.4Å; T196-Y200 PolarHBondContact O-N 3.33Å; A197-Y200 WeakPolarHBondContact O-CB 3.44Å; A197-Y200 PolarHBondContact O-N 3.48Å; A197-Y200 VanDerWaalsContact O-N 3.12Å; S198-Y200 VanDerWaalsContact C-N 3.33Å; S198-Y200 PolarHBondContact O-N 2.99Å; Y200-T202 PolarHBondContact O-N 3.42Å; Y200-V203 PolarHBondContact O-N 3.04Å; Y200-Y204 AromaticContact CE1-CD2 3.89Å; Y200-Y204 HydrophobicContact CE1-CD2 3.89Å; Y200-Y204 HydrophobicContact CE1-CG 4.48Å; Y200-Y204 VanDerWaalsContact O-CB 3.3Å; Y200-Y204 WeakPolarHBondContact O-CB 3.25Å; Y200-Y204 PolarHBondContact O-N 3.39Å
201I94.4Very high93.5Very high1 Ų155.9 Ų55.91%0.00528%0.282CS..Hα-helixtrans-58.9-48.1178.3-67.7159.3000110.1M1 F54 P72 L75 C76 A197 S198 V203 Y204 Q205M1-I201 HydrophobicContact CE-CB 4.07Å; M1-I201 HydrophobicContact CE-CG1 3.56Å; M1-I201 HydrophobicContact CE-CG2 4.06Å; M1-I201 HydrophobicContact SD-CG1 4.49Å; F54-I201 HydrophobicContact CE2-CG1 4.24Å; F54-I201 HydrophobicContact CZ-CD1 3.88Å; F54-I201 HydrophobicContact CZ-CG1 3.85Å; P72-I201 WeakPolarHBondContact O-CD1 3.27Å; L75-I201 WeakPolarHBondContact O-CD1 3.4Å; C76-I201 HydrophobicContact CB-CD1 3.65Å; A197-I201 HydrophobicContact CB-CD1 4.48Å; A197-I201 WeakPolarHBondContact O-CB 3.43Å; A197-I201 WeakPolarHBondContact O-CD1 3.49Å; A197-I201 WeakPolarHBondContact O-CG1 3.24Å; A197-I201 PolarHBondContact O-N 3.13Å; S198-I201 PolarHBondContact O-N 2.69Å; I201-V203 PolarHBondContact O-N 3.44Å; I201-Y204 PolarHBondContact O-N 3.16Å; I201-Q205 HydrophobicContact CG2-CG 4.25Å; I201-Q205 WeakPolarHBondContact O-CB 3.4Å; I201-Q205 VanDerWaalsContact O-CG 3.31Å; I201-Q205 WeakPolarHBondContact O-CG 3.44Å; I201-Q205 PolarHBondContact O-N 2.88Å
202T93.6Very high93.5Very high49 Ų4956.7 Ų56.730%0.30128%0.284SS..Hα-helixtrans-56.3-52.3176.7-57.80000111.1S198 Y200 Y204 Q205 E206S198-T202 PolarHBondContact O-N 3.46Å; S198-T202 PolarHBondContact O-OG1 3.09Å; S198-T202 VanDerWaalsContact O-OG1 3.07Å; Y200-T202 PolarHBondContact O-N 3.42Å; T202-Y204 VanDerWaalsContact C-N 3.33Å; T202-Y204 PolarHBondContact O-N 2.82Å; T202-Q205 PolarHBondContact O-N 3.06Å; T202-E206 WeakPolarHBondContact O-CB 3.38Å; T202-E206 WeakPolarHBondContact O-CG 3.48Å; T202-E206 PolarHBondContact O-N 3.43Å
203V94.8Very high93.6Very high20 Ų2057.1 Ų57.112%0.12128%0.278CS..Hα-helixtrans-59.5-44.1178.7172.10000111.3V5 Y16 K199 Y200 I201 E206 I207 Y213V5-V203 HydrophobicContact CG1-CG1 4.12Å; Y16-V203 HydrophobicContact CD1-CG1 3.91Å; Y16-V203 HydrophobicContact CG-CG1 3.85Å; K199-V203 VanDerWaalsContact O-CG2 3.32Å; K199-V203 WeakPolarHBondContact O-CG2 3.4Å; K199-V203 PolarHBondContact O-N 2.96Å; K199-V203 VanDerWaalsContact O-N 3.08Å; Y200-V203 PolarHBondContact O-N 3.04Å; I201-V203 PolarHBondContact O-N 3.44Å; V203-E206 PolarHBondContact O-N 3.08Å; V203-I207 HydrophobicContact CG1-CD1 3.68Å; V203-I207 HydrophobicContact CG1-CG1 4.4Å; V203-I207 WeakPolarHBondContact O-CD1 3.37Å; V203-I207 WeakPolarHBondContact O-CG1 3.33Å; V203-I207 PolarHBondContact O-N 3.22Å; V203-Y213 HydrophobicContact CB-CD1 4.32Å; V203-Y213 HydrophobicContact CG1-CD1 4.1Å; V203-Y213 HydrophobicContact CG2-CD1 3.77Å; V203-Y213 HydrophobicContact CG2-CE1 3.77Å
204Y95.2Very high93.6Very high24 Ų2456.5 Ų56.59%0.09428%0.279CS..Hα-helixtrans-62.4-45.3-179.9-170.6-75.4000111.5M1 D2 C3 V5 F18 Y200 I201 T202 I207 H208M1-Y204 HydrophobicContact CB-CD2 4.35Å; M1-Y204 HydrophobicContact CB-CE2 3.9Å; M1-Y204 HydrophobicContact CE-CD1 4.41Å; M1-Y204 HydrophobicContact CE-CG 4.41Å; M1-Y204 HydrophobicContact CG-CD1 4.34Å; M1-Y204 HydrophobicContact CG-CD2 4.34Å; M1-Y204 HydrophobicContact CG-CE1 4.24Å; M1-Y204 HydrophobicContact CG-CE2 4.21Å; M1-Y204 HydrophobicContact CG-CG 4.41Å; M1-Y204 HydrophobicContact SD-CD1 4.44Å; M1-Y204 HydrophobicContact SD-CD2 4.16Å; M1-Y204 HydrophobicContact SD-CG 4.08Å; D2-Y204 PolarHBondContact N-OH 3.47Å; D2-Y204 VanDerWaalsContact N-OH 3.1Å; C3-Y204 HydrophobicContact CB-CE2 4.16Å; C3-Y204 PolarHBondContact N-OH 2.94Å; V5-Y204 HydrophobicContact CG2-CD2 3.86Å; F18-Y204 HydrophobicContact CE1-CD1 4.37Å; F18-Y204 AromaticContact CE1-CD2 3.66Å; F18-Y204 HydrophobicContact CE1-CD2 3.66Å; F18-Y204 HydrophobicContact CE1-CE1 4.28Å; F18-Y204 AromaticContact CE1-CE2 3.56Å; F18-Y204 HydrophobicContact CE1-CE2 3.56Å; F18-Y204 HydrophobicContact CE1-CG 4.07Å; F18-Y204 AromaticContact CE1-CZ 3.88Å; F18-Y204 HydrophobicContact CZ-CD1 4.03Å; F18-Y204 HydrophobicContact CZ-CD2 4.15Å; F18-Y204 AromaticContact CZ-CE1 3.83Å; F18-Y204 HydrophobicContact CZ-CE1 3.83Å; F18-Y204 AromaticContact CZ-CE2 3.97Å; F18-Y204 HydrophobicContact CZ-CE2 3.97Å; F18-Y204 HydrophobicContact CZ-CG 4.17Å; F18-Y204 AromaticContact CZ-CZ 3.79Å; Y200-Y204 AromaticContact CE1-CD2 3.89Å; Y200-Y204 HydrophobicContact CE1-CD2 3.89Å; Y200-Y204 HydrophobicContact CE1-CG 4.48Å; Y200-Y204 VanDerWaalsContact O-CB 3.3Å; Y200-Y204 WeakPolarHBondContact O-CB 3.25Å; Y200-Y204 PolarHBondContact O-N 3.39Å; I201-Y204 PolarHBondContact O-N 3.16Å; T202-Y204 VanDerWaalsContact C-N 3.33Å; T202-Y204 PolarHBondContact O-N 2.82Å; Y204-I207 PolarHBondContact O-N 2.91Å; Y204-H208 WeakPolarHBondContact O-CB 3.3Å; Y204-H208 PolarHBondContact O-N 3.37Å
205Q93.4Very high93.4Very high71 Ų7156.6 Ų56.633%0.33228%0.281SS..Hα-helixtrans-64.8-43178.9-73.7174.4-1500111.5I201 T202 H208 Q209I201-Q205 HydrophobicContact CG2-CG 4.25Å; I201-Q205 WeakPolarHBondContact O-CB 3.4Å; I201-Q205 VanDerWaalsContact O-CG 3.31Å; I201-Q205 WeakPolarHBondContact O-CG 3.44Å; I201-Q205 PolarHBondContact O-N 2.88Å; T202-Q205 PolarHBondContact O-N 3.06Å; Q205-H208 WeakPolarHBondContact O-CB 3.25Å; Q205-H208 PolarHBondContact O-N 3.4Å; Q205-Q209 WeakPolarHBondContact O-CG 3.42Å; Q205-Q209 PolarHBondContact O-N 2.83Å
206E94.4Very high92.6Very high60 Ų6057.3 Ų57.328%0.2829%0.29SS..Hα-helixtrans-60.3-46.2175.5-76.1-63.4143.400112.1T202 V203 H208 Q209 H210 Y213T202-E206 WeakPolarHBondContact O-CB 3.38Å; T202-E206 WeakPolarHBondContact O-CG 3.48Å; T202-E206 PolarHBondContact O-N 3.43Å; V203-E206 PolarHBondContact O-N 3.08Å; E206-H208 VanDerWaalsContact C-N 3.3Å; E206-H208 PolarHBondContact O-N 2.96Å; E206-Q209 PolarHBondContact O-N 3.11Å; E206-H210 WeakPolarHBondContact O-CB 3.25Å; E206-H210 PolarHBondContact O-N 2.82Å; E206-H210 PolarHBondContact O-ND1 3.23Å; E206-H210 IonicContact OE2-CE1 3.86Å; E206-H210 PolarHBondContact OE2-CE1 3.15Å; E206-H210 VanDerWaalsContact OE2-CE1 3.24Å; E206-H210 IonicContact OE2-ND1 2.72Å; E206-H210 PolarHBondContact OE2-ND1 3.36Å; E206-Y213 HydrophobicContact CB-CD2 3.56Å; E206-Y213 HydrophobicContact CB-CE2 4.39Å; E206-Y213 HydrophobicContact CB-CG 3.95Å; E206-Y213 HydrophobicContact CG-CD2 3.65Å; E206-Y213 HydrophobicContact CG-CE2 4.01Å; E206-Y213 HydrophobicContact CG-CG 4.44Å
207I94.5Very high91Very high2 Ų260 Ų601%0.0130%0.301CS..Hα-helixtrans-63.4-39.1175.3-62.4161.8000110.8V5 F18 V203 Y204 Q209 G211V5-I207 HydrophobicContact CG1-CD1 3.78Å; V5-I207 HydrophobicContact CG2-CD1 4.25Å; F18-I207 HydrophobicContact CB-CG2 4.37Å; F18-I207 HydrophobicContact CD1-CG2 3.83Å; F18-I207 HydrophobicContact CD2-CG2 3.51Å; F18-I207 HydrophobicContact CE1-CB 4.17Å; F18-I207 HydrophobicContact CE1-CD1 4.46Å; F18-I207 HydrophobicContact CE1-CG2 3.88Å; F18-I207 HydrophobicContact CE2-CB 4.21Å; F18-I207 HydrophobicContact CE2-CG2 3.59Å; F18-I207 HydrophobicContact CG-CG2 3.63Å; F18-I207 HydrophobicContact CZ-CB 3.98Å; F18-I207 HydrophobicContact CZ-CG2 3.76Å; V203-I207 HydrophobicContact CG1-CD1 3.68Å; V203-I207 HydrophobicContact CG1-CG1 4.4Å; V203-I207 WeakPolarHBondContact O-CD1 3.37Å; V203-I207 WeakPolarHBondContact O-CG1 3.33Å; V203-I207 PolarHBondContact O-N 3.22Å; Y204-I207 PolarHBondContact O-N 2.91Å; I207-Q209 VanDerWaalsContact C-N 3.34Å; I207-G211 CarbonylContact O-C 3.6Å; I207-G211 WeakPolarHBondContact O-CA 3.2Å; I207-G211 PolarHBondContact O-N 3.06Å
208H91.9Very high90.9Very high134 Ų13463.1 Ų63.162%0.6232%0.316SS*.Hα-helixtrans-65.1-38.2179.1-172.6-80.4000112.2F18 Y204 Q205 E206F18-H208 HydrophobicContact CE2-CB 4.15Å; F18-H208 HydrophobicContact CZ-CB 4.17Å; Y204-H208 WeakPolarHBondContact O-CB 3.3Å; Y204-H208 PolarHBondContact O-N 3.37Å; Q205-H208 WeakPolarHBondContact O-CB 3.25Å; Q205-H208 PolarHBondContact O-N 3.4Å; E206-H208 VanDerWaalsContact C-N 3.3Å; E206-H208 PolarHBondContact O-N 2.96Å
209Q92.9Very high90.7Very high129 Ų12966.4 Ų66.460%0.60333%0.332SS*.Hα-helixtrans-80.2-43.6-179.6-69.1176.112.200112.7Q205 E206 I207Q205-Q209 WeakPolarHBondContact O-CG 3.42Å; Q205-Q209 PolarHBondContact O-N 2.83Å; E206-Q209 PolarHBondContact O-N 3.11Å; I207-Q209 VanDerWaalsContact C-N 3.34Å
210H91.7Very high90.5Very high113 Ų11361.8 Ų61.852%0.52332%0.315SS..Hα-helixtrans-108.4-6.7-169.5-55.9119.8000113.9E206 F212E206-H210 WeakPolarHBondContact O-CB 3.25Å; E206-H210 PolarHBondContact O-N 2.82Å; E206-H210 PolarHBondContact O-ND1 3.23Å; E206-H210 IonicContact OE2-CE1 3.86Å; E206-H210 PolarHBondContact OE2-CE1 3.15Å; E206-H210 VanDerWaalsContact OE2-CE1 3.24Å; E206-H210 IonicContact OE2-ND1 2.72Å; E206-H210 PolarHBondContact OE2-ND1 3.36Å; H210-F212 PolarHBondContact O-N 3.02Å
211G90.3Very high90.2Very high32 Ų3264.6 Ų64.633%0.3333%0.33SS..SBendtrans84.8-17-177.700000114.8I207I207-G211 CarbonylContact O-C 3.6Å; I207-G211 WeakPolarHBondContact O-CA 3.2Å; I207-G211 PolarHBondContact O-N 3.06Å
212F92.6Very high90Very high63 Ų6368.6 Ų68.628%0.27635%0.351SS..SBendtrans-159.3164.2175.166-77.7000110I15 Y16 P33 I34 H210 V214I15-F212 HydrophobicContact CG2-CD2 4.49Å; Y16-F212 CarbonylContact O-C 3.55Å; Y16-F212 VanDerWaalsContact O-CA 3.24Å; Y16-F212 WeakPolarHBondContact O-CA 3.33Å; Y16-F212 WeakPolarHBondContact O-CB 3.38Å; P33-F212 HydrophobicContact CB-CB 4.18Å; P33-F212 HydrophobicContact CB-CD1 3.6Å; P33-F212 HydrophobicContact CB-CD2 4.11Å; P33-F212 HydrophobicContact CB-CE1 3.93Å; P33-F212 HydrophobicContact CB-CE2 4.4Å; P33-F212 HydrophobicContact CB-CG 3.69Å; P33-F212 HydrophobicContact CB-CZ 4.32Å; P33-F212 HydrophobicContact CG-CB 3.89Å; P33-F212 HydrophobicContact CG-CD1 4.15Å; P33-F212 HydrophobicContact CG-CD2 3.85Å; P33-F212 HydrophobicContact CG-CE2 4.41Å; P33-F212 HydrophobicContact CG-CG 3.69Å; I34-F212 HydrophobicContact CG1-CE2 4.08Å; H210-F212 PolarHBondContact O-N 3.02Å; F212-V214 HydrophobicContact CD2-CG2 3.63Å; F212-V214 HydrophobicContact CE2-CG2 3.51Å
213Y94.8Very high89.7Confident70 Ų7069.9 Ų69.928%0.27535%0.354SS..EExtended strand (participates in β ladder)trans-129140173174.1-110.7000110.1I15 Y16 V203 E206 A215I15-Y213 WeakPolarHBondContact CA-O 3.44Å; Y16-Y213 AromaticContact CD2-CD1 3.63Å; Y16-Y213 HydrophobicContact CD2-CD1 3.63Å; Y16-Y213 HydrophobicContact CD2-CE1 4.32Å; Y16-Y213 HydrophobicContact CE2-CD1 4.16Å; Y16-Y213 HydrophobicContact CE2-CE1 4.4Å; Y16-Y213 HydrophobicContact CG-CD1 4.27Å; Y16-Y213 PolarHBondContact N-O 2.81Å; Y16-Y213 PolarHBondContact O-N 2.98Å; V203-Y213 HydrophobicContact CB-CD1 4.32Å; V203-Y213 HydrophobicContact CG1-CD1 4.1Å; V203-Y213 HydrophobicContact CG2-CD1 3.77Å; V203-Y213 HydrophobicContact CG2-CE1 3.77Å; E206-Y213 HydrophobicContact CB-CD2 3.56Å; E206-Y213 HydrophobicContact CB-CE2 4.39Å; E206-Y213 HydrophobicContact CB-CG 3.95Å; E206-Y213 HydrophobicContact CG-CD2 3.65Å; E206-Y213 HydrophobicContact CG-CE2 4.01Å; E206-Y213 HydrophobicContact CG-CG 4.44Å; Y213-A215 HydrophobicContact CE1-CB 4.01Å
214V93Very high89.4Confident51 Ų5173.4 Ų73.431%0.30937%0.371SS..EExtended strand (participates in β ladder)trans-117.7126.3179.9-1740000108.6R13 K14 I34 F212R13-V214 HydrophobicContact CB-CG1 3.77Å; R13-V214 HydrophobicContact CG-CG1 4.02Å; K14-V214 WeakPolarHBondContact O-CA 3.38Å; I34-V214 HydrophobicContact CD1-CG1 4.27Å; I34-V214 HydrophobicContact CD1-CG2 3.76Å; I34-V214 HydrophobicContact CG1-CG2 4.3Å; F212-V214 HydrophobicContact CD2-CG2 3.63Å; F212-V214 HydrophobicContact CE2-CG2 3.51Å
215A88.8Confident88.9Confident20 Ų2077.2 Ų77.217%0.16539%0.392CS..EExtended strand (participates in β ladder)trans-113.4145.3170.200000110K14 Y16 Y213K14-A215 HydrophobicContact CB-CB 4.29Å; K14-A215 PolarHBondContact N-O 3.19Å; K14-A215 VanDerWaalsContact N-O 3.15Å; K14-A215 PolarHBondContact O-N 3.42Å; Y16-A215 HydrophobicContact CE2-CB 3.97Å; Y213-A215 HydrophobicContact CE1-CB 4.01Å
216D77.8Confident88.6Confident117 Ų11777.8 Ų77.863%0.62640%0.397SS*.  trans-62152.8167.6-70.7-45.2000110.9R13R13-D216 IonicContact CZ-OD1 3.64Å; R13-D216 IonicContact NH1-OD1 3.91Å; R13-D216 PolarHBondContact NH1-OD1 2.7Å; R13-D216 IonicContact NH2-OD1 3.25Å
217L59.9Low88Confident142 Ų14279.4 Ų79.474%0.74341%0.407SS*.  trans-70.50-178.4-83172.5000111.8G12 K14G12-L217 WeakPolarHBondContact O-CD1 3.21Å; K14-L217 HydrophobicContact CD-CD2 4.12Å; K14-L217 HydrophobicContact CG-CD2 3.83Å; K14-L217 PolarHBondContact NZ-OXT 3.39Å

Retrieved 217 of 217 residues in 855.9 ms (Link to these results)

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