A0A087XW78_POEFO Loading...

Tyrosine-protein phosphatase non-receptor type

AlphaFold DB (A0A3B3VZD3), UniProt , Accession A0A087XW78, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 596 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
1M52.3Low74Confident79 Ų7940.4 Ų40.439%0.38922%0.215SC..  0144.10-177.8-167.9-74.700108.7W6 V78 M82 L263M1-W6 PolarHBondContact SD-NE1 3.4Å; M1-V78 HydrophobicContact CE-CG1 3.84Å; M1-M82 HydrophobicContact CE-CE 4.35Å; M1-M82 HydrophobicContact CE-SD 3.22Å; M1-M82 WeakPolarHBondContact CE-SD 3.49Å; M1-L263 WeakPolarHBondContact O-CD1 3.19Å
2T52.6Low75.3Confident131 Ų13139.1 Ų39.180%0.80421%0.212SC*.  trans-110.5-2.6-169.747.60000115.9
3S66.9Low76.4Confident51 Ų5137.5 Ų37.536%0.35721%0.211SC..  trans-146.9147.3-175.1179.40000112.1R5 W6 C260S3-R5 VanDerWaalsContact C-N 3.34Å; S3-R5 PolarHBondContact OG-N 2.79Å; S3-W6 PolarHBondContact O-NE1 2.68Å; S3-C260 VanDerWaalsContact C-SG 3.59Å
4R76.3Confident77.7Confident10 Ų1041.4 Ų41.44%0.03824%0.235CC..  trans-89.711.6177-169.6163172.2-1036112.9W6 F7 E253 Q256R4-W6 HydrophobicContact CB-CZ2 4.44Å; R4-W6 HydrophobicContact CG-CH2 4.01Å; R4-W6 HydrophobicContact CG-CZ2 3.81Å; R4-W6 PolarHBondContact O-N 2.82Å; R4-F7 HydrophobicContact CG-CB 3.84Å; R4-F7 WeakPolarHBondContact O-CB 3.38Å; R4-F7 PolarHBondContact O-N 2.74Å; R4-E253 IonicContact CZ-OE2 3.65Å; R4-E253 VanDerWaalsContact CZ-OE2 3.32Å; R4-E253 IonicContact NH1-OE2 2.82Å; R4-E253 PolarHBondContact NH1-OE2 2.62Å; R4-E253 IonicContact NH2-OE2 2.72Å; R4-E253 PolarHBondContact NH2-OE2 3.13Å; R4-Q256 WeakPolarHBondContact CD-O 3.38Å; R4-Q256 VanDerWaalsContact NH1-CB 3.27Å
5R76.3Confident78.5Confident81 Ų8144.5 Ų44.531%0.30625%0.247SC..THydrogen-bonded Turntrans-55.5-17.7-175.3-83-159.2-67.6-162.2-1.4116S3 F7 N103 C104 D193S3-R5 VanDerWaalsContact C-N 3.34Å; S3-R5 PolarHBondContact OG-N 2.79Å; R5-F7 PolarHBondContact O-N 3.16Å; R5-N103 HydrophobicContact CB-CB 4.01Å; R5-N103 VanDerWaalsContact CB-OD1 3.22Å; R5-N103 WeakPolarHBondContact CB-OD1 3.05Å; R5-N103 CarbonylContact O-C 3.48Å; R5-N103 WeakPolarHBondContact O-CA 3.2Å; R5-C104 WeakPolarHBondContact O-CB 3.31Å; R5-C104 PolarHBondContact O-N 3.5Å; R5-D193 IonicContact CZ-OD1 3.48Å; R5-D193 VanDerWaalsContact NH1-CG 3.29Å; R5-D193 IonicContact NH1-OD1 2.78Å; R5-D193 PolarHBondContact NH1-OD1 3.21Å; R5-D193 IonicContact NH1-OD2 2.78Å; R5-D193 PolarHBondContact NH1-OD2 3.24Å; R5-D193 VanDerWaalsContact NH1-OD2 3.13Å; R5-D193 IonicContact NH2-OD1 3.85Å
6W83.4Confident79.4Confident2 Ų241.7 Ų41.71%0.00823%0.231CC..THydrogen-bonded Turntrans-69.4-6.6169.547.3-94.7000114.4M1 S3 R4 H8 F29 L30 A31 L74 A75 V78 P101M1-W6 PolarHBondContact SD-NE1 3.4Å; S3-W6 PolarHBondContact O-NE1 2.68Å; R4-W6 HydrophobicContact CB-CZ2 4.44Å; R4-W6 HydrophobicContact CG-CH2 4.01Å; R4-W6 HydrophobicContact CG-CZ2 3.81Å; R4-W6 PolarHBondContact O-N 2.82Å; W6-H8 PolarHBondContact O-CD2 2.87Å; W6-F29 HydrophobicContact CB-CE2 3.97Å; W6-F29 HydrophobicContact CG-CE2 4.14Å; W6-L30 CarbonylContact O-C 3.57Å; W6-L30 WeakPolarHBondContact O-CA 3.36Å; W6-A31 HydrophobicContact CE3-CB 3.68Å; W6-A31 HydrophobicContact CZ3-CB 3.66Å; W6-A31 PolarHBondContact O-N 3.39Å; W6-L74 HydrophobicContact CH2-CB 3.89Å; W6-L74 HydrophobicContact CZ3-CB 4.32Å; W6-A75 HydrophobicContact CZ2-CB 4.38Å; W6-V78 HydrophobicContact CD2-CG1 4.33Å; W6-V78 HydrophobicContact CD2-CG2 4.23Å; W6-V78 HydrophobicContact CE3-CG2 3.91Å; W6-V78 HydrophobicContact CH2-CB 4.32Å; W6-V78 HydrophobicContact CH2-CG2 3.81Å; W6-V78 HydrophobicContact CZ2-CB 4.18Å; W6-V78 HydrophobicContact CZ2-CG2 4.13Å; W6-V78 HydrophobicContact CZ3-CG2 3.69Å; W6-P101 HydrophobicContact CB-CB 3.73Å; W6-P101 HydrophobicContact CG-CB 4.31Å
7F83.6Confident80.4Confident9 Ų943.2 Ų43.24%0.03924%0.236CC..BIsolated β-bridgetrans-91.8125174-172-94.4000110.6R4 R5 P9 A31 P33 F41 L74 E253R4-F7 HydrophobicContact CG-CB 3.84Å; R4-F7 WeakPolarHBondContact O-CB 3.38Å; R4-F7 PolarHBondContact O-N 2.74Å; R5-F7 PolarHBondContact O-N 3.16Å; F7-P9 HydrophobicContact CE1-CB 4.39Å; F7-A31 CarbonylContact C-O 3.56Å; F7-A31 WeakPolarHBondContact CA-O 3.45Å; F7-A31 HydrophobicContact CD2-CB 4.02Å; F7-P33 HydrophobicContact CZ-CG 3.99Å; F7-F41 AromaticContact CE2-CD1 3.83Å; F7-F41 HydrophobicContact CE2-CD1 3.83Å; F7-F41 AromaticContact CE2-CE1 3.97Å; F7-F41 HydrophobicContact CE2-CE1 3.97Å; F7-F41 HydrophobicContact CZ-CD1 4.15Å; F7-F41 AromaticContact CZ-CE1 3.93Å; F7-F41 HydrophobicContact CZ-CE1 3.93Å; F7-L74 HydrophobicContact CD2-CD1 4.29Å; F7-L74 HydrophobicContact CE2-CD1 3.94Å; F7-E253 HydrophobicContact CE1-CG 4.39Å; F7-E253 VanDerWaalsContact CE1-OE2 3.22Å; F7-E253 WeakPolarHBondContact CE1-OE2 3.45Å; F7-E253 WeakPolarHBondContact CZ-OE1 3.26Å; F7-E253 WeakPolarHBondContact CZ-OE2 3.27Å
8H84.7Confident81.1Confident8 Ų845.8 Ų45.84%0.03725%0.25CS..  trans-112.7110-179.7-66.2-121.1000108.8W6 I11 A31 R32 P33 L102 C104W6-H8 PolarHBondContact O-CD2 2.87Å; H8-I11 HydrophobicContact CB-CD1 3.48Å; H8-I11 VanDerWaalsContact CB-CD1 3.48Å; H8-I11 HydrophobicContact CB-CG1 3.65Å; H8-I11 HydrophobicContact CB-CG2 4.45Å; H8-A31 PolarHBondContact N-O 3.43Å; H8-R32 WeakPolarHBondContact O-CA 3.33Å; H8-R32 WeakPolarHBondContact O-CB 3.43Å; H8-P33 VanDerWaalsContact O-CD 3.25Å; H8-P33 WeakPolarHBondContact O-CD 3.21Å; H8-L102 PolarHBondContact NE2-O 2.85Å; H8-C104 HydrophobicContact CB-CB 4.48Å; H8-C104 VanDerWaalsContact CE1-CA 3.45Å; H8-C104 WeakPolarHBondContact CE1-CA 3.47Å; H8-C104 VanDerWaalsContact CG-SG 3.57Å; H8-C104 PolarHBondContact ND1-SG 2.94Å; H8-C104 PolarHBondContact NE2-N 3.15Å
9P76.6Confident81.5Confident6 Ų645.6 Ų45.64%0.03925%0.249CC..SBendtrans-67.7-39.6-170.922.4-31.3000113.8F7 P33 D106 W249F7-P9 HydrophobicContact CE1-CB 4.39Å; P9-P33 WeakPolarHBondContact O-CD 3.32Å; P9-P33 WeakPolarHBondContact O-CG 3.46Å; P9-D106 HydrophobicContact CG-CB 4.43Å; P9-W249 HydrophobicContact CB-CH2 3.68Å; P9-W249 HydrophobicContact CB-CZ2 4.48Å; P9-W249 HydrophobicContact CB-CZ3 4.45Å; P9-W249 WeakPolarHBondContact O-CH2 3.48Å
10N78.4Confident82Confident46 Ų4643.4 Ų43.425%0.24624%0.236CC..SBendtrans-107.7-11-160.6-65-45.2000115.7K35 D106 T108N10-K35 VanDerWaalsContact O-CE 3.27Å; N10-K35 WeakPolarHBondContact O-CE 3.4Å; N10-K35 PolarHBondContact O-NZ 2.93Å; N10-D106 PolarHBondContact ND2-OD2 2.88Å; N10-T108 PolarHBondContact ND2-OG1 2.83Å; N10-T108 VanDerWaalsContact ND2-OG1 3.08Å
11I83Confident82.6Confident21 Ų2145.1 Ų45.111%0.10825%0.245CC..  trans-81.5152.1-170.870.6174.2000114.4H8 E15 A16 L19 L30 R32 K35H8-I11 HydrophobicContact CB-CD1 3.48Å; H8-I11 VanDerWaalsContact CB-CD1 3.48Å; H8-I11 HydrophobicContact CB-CG1 3.65Å; H8-I11 HydrophobicContact CB-CG2 4.45Å; I11-E15 HydrophobicContact CB-CB 3.97Å; I11-E15 HydrophobicContact CG2-CB 4.48Å; I11-A16 HydrophobicContact CD1-CB 3.83Å; I11-L19 HydrophobicContact CD1-CD1 4.01Å; I11-L30 HydrophobicContact CD1-CD1 3.92Å; I11-L30 HydrophobicContact CD1-CD2 3.95Å; I11-R32 HydrophobicContact CG1-CB 4.08Å; I11-K35 WeakPolarHBondContact O-CE 3.33Å
12S89.3Confident84.3Confident25 Ų2546.7 Ų46.718%0.17526%0.259CS..  trans-84.5-175.4172.1680000113.2V14 E15 A16 R32S12-V14 PolarHBondContact OG-N 3.05Å; S12-E15 WeakPolarHBondContact CA-OE2 3.48Å; S12-E15 WeakPolarHBondContact CB-OE2 3.45Å; S12-E15 PolarHBondContact N-OE2 3.13Å; S12-E15 WeakPolarHBondContact OG-CG 3.29Å; S12-E15 PolarHBondContact OG-N 3.06Å; S12-E15 PolarHBondContact OG-OE2 2.79Å; S12-A16 WeakPolarHBondContact O-CB 3.47Å; S12-A16 PolarHBondContact O-N 2.7Å; S12-R32 VanDerWaalsContact O-CD 3.3Å; S12-R32 WeakPolarHBondContact O-CD 3.47Å; S12-R32 PolarHBondContact O-NE 3.49Å
13G90.4Very high86Confident19 Ų1948.5 Ų48.520%0.19625%0.251CS..Hα-helixtrans-62.8-54168.300000112.5E15 A16 E17 H53G13-E15 VanDerWaalsContact C-N 3.31Å; G13-E15 PolarHBondContact O-N 3.19Å; G13-A16 CarbonylContact O-C 3.6Å; G13-A16 WeakPolarHBondContact O-CA 3.45Å; G13-A16 WeakPolarHBondContact O-CB 3.41Å; G13-A16 PolarHBondContact O-N 3.23Å; G13-E17 WeakPolarHBondContact O-CG 3.4Å; G13-E17 PolarHBondContact O-N 3.38Å; G13-H53 WeakPolarHBondContact CA-NE2 3.09Å
14V93.7Very high87Confident91 Ų9146.5 Ų46.555%0.55224%0.239SC*.Hα-helixtrans-60.6-40-177.9-175.30000111.8S12 E17 N18S12-V14 PolarHBondContact OG-N 3.05Å; V14-E17 PolarHBondContact O-N 2.9Å; V14-N18 WeakPolarHBondContact O-CB 3.49Å; V14-N18 VanDerWaalsContact O-CG 3.27Å; V14-N18 PolarHBondContact O-N 3.39Å; V14-N18 PolarHBondContact O-ND2 3.06Å
15E90.8Very high87.8Confident88 Ų8849.9 Ų49.941%0.41126%0.26SS..Hα-helixtrans-64.4-39.6174-69.3161.810100111.8I11 S12 G13 L19 K35I11-E15 HydrophobicContact CB-CB 3.97Å; I11-E15 HydrophobicContact CG2-CB 4.48Å; S12-E15 WeakPolarHBondContact CA-OE2 3.48Å; S12-E15 WeakPolarHBondContact CB-OE2 3.45Å; S12-E15 PolarHBondContact N-OE2 3.13Å; S12-E15 WeakPolarHBondContact OG-CG 3.29Å; S12-E15 PolarHBondContact OG-N 3.06Å; S12-E15 PolarHBondContact OG-OE2 2.79Å; G13-E15 VanDerWaalsContact C-N 3.31Å; G13-E15 PolarHBondContact O-N 3.19Å; E15-L19 WeakPolarHBondContact O-CB 3.43Å; E15-L19 VanDerWaalsContact O-CG 3.24Å; E15-L19 WeakPolarHBondContact O-CG 3.5Å; E15-L19 PolarHBondContact O-N 2.96Å; E15-K35 IonicContact OE2-NZ 2.62Å
16A92.9Very high88.7Confident0 Ų049.1 Ų49.10%026%0.262CS..Hα-helixtrans-68.4-39.6175.500000113.1I11 S12 G13 L20 L30I11-A16 HydrophobicContact CD1-CB 3.83Å; S12-A16 WeakPolarHBondContact O-CB 3.47Å; S12-A16 PolarHBondContact O-N 2.7Å; G13-A16 CarbonylContact O-C 3.6Å; G13-A16 WeakPolarHBondContact O-CA 3.45Å; G13-A16 WeakPolarHBondContact O-CB 3.41Å; G13-A16 PolarHBondContact O-N 3.23Å; A16-L20 WeakPolarHBondContact O-CB 3.27Å; A16-L20 VanDerWaalsContact O-CG 3.29Å; A16-L20 WeakPolarHBondContact O-CG 3.46Å; A16-L20 PolarHBondContact O-N 3.49Å; A16-L30 HydrophobicContact CB-CD1 3.92Å; A16-L30 HydrophobicContact CB-CD2 4.11Å; A16-L30 HydrophobicContact CB-CG 4.44Å
17E95.5Very high89Confident67 Ų6749.3 Ų49.331%0.31327%0.265SS..Hα-helixtrans-61-52.4173.6-71172.6167.700110.2G13 V14 L19 L20 L21 V51 H53G13-E17 WeakPolarHBondContact O-CG 3.4Å; G13-E17 PolarHBondContact O-N 3.38Å; V14-E17 PolarHBondContact O-N 2.9Å; E17-L19 VanDerWaalsContact C-N 3.35Å; E17-L19 PolarHBondContact O-N 2.65Å; E17-L20 PolarHBondContact O-N 3.09Å; E17-L21 WeakPolarHBondContact O-CB 3.37Å; E17-L21 VanDerWaalsContact O-CG 3.26Å; E17-L21 WeakPolarHBondContact O-CG 3.39Å; E17-L21 PolarHBondContact O-N 3.48Å; E17-V51 HydrophobicContact CG-CB 4.14Å; E17-V51 HydrophobicContact CG-CG1 4.02Å; E17-H53 IonicContact OE1-CD2 3.12Å; E17-H53 IonicContact OE1-NE2 2.67Å
18N92.6Very high89.6Confident91 Ų9149.2 Ų49.249%0.48727%0.265SS..Hα-helixtrans-57.1-45.3177.2-74.4-23.9000112.1V14 L21 T22V14-N18 WeakPolarHBondContact O-CB 3.49Å; V14-N18 VanDerWaalsContact O-CG 3.27Å; V14-N18 PolarHBondContact O-N 3.39Å; V14-N18 PolarHBondContact O-ND2 3.06Å; N18-L21 PolarHBondContact O-N 3.25Å; N18-T22 WeakPolarHBondContact O-CB 3.32Å; N18-T22 WeakPolarHBondContact O-CG2 3.43Å; N18-T22 PolarHBondContact O-N 2.78Å; N18-T22 PolarHBondContact O-OG1 2.78Å
19L88.4Confident90.1Very high42 Ų4248.8 Ų48.822%0.2226%0.263CS..Hα-helixtrans-62.5-43.6176.9-78.4169000112.7I11 E15 E17 R23 G24 L102I11-L19 HydrophobicContact CD1-CD1 4.01Å; E15-L19 WeakPolarHBondContact O-CB 3.43Å; E15-L19 VanDerWaalsContact O-CG 3.24Å; E15-L19 WeakPolarHBondContact O-CG 3.5Å; E15-L19 PolarHBondContact O-N 2.96Å; E17-L19 VanDerWaalsContact C-N 3.35Å; E17-L19 PolarHBondContact O-N 2.65Å; L19-R23 WeakPolarHBondContact O-CB 3.34Å; L19-R23 PolarHBondContact O-N 3.29Å; L19-G24 PolarHBondContact O-N 2.92Å; L19-L102 HydrophobicContact CB-CD2 3.86Å
20L92.9Very high90.9Very high0 Ų048.5 Ų48.50%026%0.262CS..Hα-helixtrans-70.6-35178.9-75169.1000112.7A16 E17 G24 L30 R46 V51 L102A16-L20 WeakPolarHBondContact O-CB 3.27Å; A16-L20 VanDerWaalsContact O-CG 3.29Å; A16-L20 WeakPolarHBondContact O-CG 3.46Å; A16-L20 PolarHBondContact O-N 3.49Å; E17-L20 PolarHBondContact O-N 3.09Å; L20-G24 CarbonylContact O-C 3.56Å; L20-G24 WeakPolarHBondContact O-CA 3.39Å; L20-G24 PolarHBondContact O-N 3.15Å; L20-G24 VanDerWaalsContact O-N 3.13Å; L20-L30 HydrophobicContact CD1-CD2 4.44Å; L20-L30 HydrophobicContact CD1-CG 4.37Å; L20-L30 HydrophobicContact CG-CD2 4.17Å; L20-R46 HydrophobicContact CB-CB 4.34Å; L20-R46 WeakPolarHBondContact O-CD 3.36Å; L20-R46 PolarHBondContact O-NH1 3.24Å; L20-V51 HydrophobicContact CB-CG2 3.92Å; L20-V51 HydrophobicContact CD1-CG1 3.81Å; L20-V51 HydrophobicContact CD1-CG2 4.31Å; L20-L102 HydrophobicContact CD2-CB 4.18Å; L20-L102 HydrophobicContact CD2-CD2 4.13Å; L20-L102 HydrophobicContact CG-CD2 4.45Å
21L93.9Very high91.6Very high80 Ų8046.4 Ų46.442%0.41925%0.251SS..Hα-helixtrans-75-38.3178.2-69173.5000112.6E17 N18 R46 G49 V51E17-L21 WeakPolarHBondContact O-CB 3.37Å; E17-L21 VanDerWaalsContact O-CG 3.26Å; E17-L21 WeakPolarHBondContact O-CG 3.39Å; E17-L21 PolarHBondContact O-N 3.48Å; N18-L21 PolarHBondContact O-N 3.25Å; L21-R46 PolarHBondContact O-NH1 2.8Å; L21-G49 VanDerWaalsContact CD2-O 3.26Å; L21-G49 WeakPolarHBondContact CD2-O 3.4Å; L21-V51 HydrophobicContact CD2-CG2 4.09Å; L21-V51 HydrophobicContact CG-CG2 4.04Å
22T89.1Confident91.9Very high112 Ų11246.1 Ų46.169%0.68725%0.248SC*.Hα-helixtrans-88.3-34.9-177.357.70000114.7N18N18-T22 WeakPolarHBondContact O-CB 3.32Å; N18-T22 WeakPolarHBondContact O-CG2 3.43Å; N18-T22 PolarHBondContact O-N 2.78Å; N18-T22 PolarHBondContact O-OG1 2.78Å
23R87Confident91.8Very high170 Ų17045.2 Ų45.264%0.64224%0.242SC*.Hα-helixtrans-116.6-15.7-175.3-60.3178.466-176.42.5114.3L19 L102L19-R23 WeakPolarHBondContact O-CB 3.34Å; L19-R23 PolarHBondContact O-N 3.29Å; R23-L102 HydrophobicContact CB-CD1 4.19Å
24G89.3Confident91.7Very high9 Ų944.5 Ų44.59%0.09323%0.234CC..  trans-91.6173.7177.700000113.4L19 L20 S28 R46L19-G24 PolarHBondContact O-N 2.92Å; L20-G24 CarbonylContact O-C 3.56Å; L20-G24 WeakPolarHBondContact O-CA 3.39Å; L20-G24 PolarHBondContact O-N 3.15Å; L20-G24 VanDerWaalsContact O-N 3.13Å; G24-S28 WeakPolarHBondContact CA-OG 3.28Å; G24-R46 PolarHBondContact O-NH1 2.86Å
25V92.3Very high91.3Very high81 Ų8146.3 Ų46.349%0.49123%0.234SC..  trans-126.4177.5166.9-620000108.9G27 S28 R46 Y100V25-G27 PolarHBondContact O-N 2.66Å; V25-S28 PolarHBondContact N-OG 2.83Å; V25-S28 WeakPolarHBondContact O-CB 3.32Å; V25-S28 PolarHBondContact O-N 2.88Å; V25-S28 PolarHBondContact O-OG 2.67Å; V25-R46 WeakPolarHBondContact O-CD 3.41Å; V25-Y100 HydrophobicContact CG2-CD2 3.5Å; V25-Y100 VanDerWaalsContact CG2-CD2 3.5Å; V25-Y100 HydrophobicContact CG2-CE2 3.75Å; V25-Y100 HydrophobicContact CG2-CG 4.33Å
26D94.3Very high91.1Very high64 Ų6446.9 Ų46.934%0.34225%0.248SC..THydrogen-bonded Turntrans-68131178.6-71.521.6000110.6R46 N48 G49D26-R46 WeakPolarHBondContact OD1-CG 3.49Å; D26-R46 IonicContact OD1-CZ 3.07Å; D26-R46 IonicContact OD1-NE 3.75Å; D26-R46 PolarHBondContact OD1-NE 3.42Å; D26-R46 IonicContact OD1-NH2 3.94Å; D26-N48 WeakPolarHBondContact OD2-CA 3.33Å; D26-N48 PolarHBondContact OD2-N 2.84Å; D26-G49 PolarHBondContact OD1-N 3.49Å; D26-G49 PolarHBondContact OD2-N 2.86Å
27G91.5Very high90.7Very high7 Ų750.2 Ų50.27%0.07227%0.266CS..THydrogen-bonded Turntrans87.2-1.8-163.900000114.7V25 R46 K99 Y100V25-G27 PolarHBondContact O-N 2.66Å; G27-R46 PolarHBondContact N-O 3.09Å; G27-K99 PolarHBondContact O-N 3.1Å; G27-Y100 PolarHBondContact O-N 3.11Å
28S94.7Very high90.1Very high6 Ų652.6 Ų52.64%0.04229%0.287CS..EExtended strand (participates in β ladder)trans-70.3141.5167.5-72.10000111.6G24 V25 R46 Y100G24-S28 WeakPolarHBondContact CA-OG 3.28Å; V25-S28 PolarHBondContact N-OG 2.83Å; V25-S28 WeakPolarHBondContact O-CB 3.32Å; V25-S28 PolarHBondContact O-N 2.88Å; V25-S28 PolarHBondContact O-OG 2.67Å; S28-R46 PolarHBondContact O-N 2.95Å; S28-Y100 CarbonylContact C-O 3.55Å; S28-Y100 WeakPolarHBondContact CA-O 3.36Å
29F96.6Very high89.5Confident0 Ų050.6 Ų50.60%029%0.288CS..EExtended strand (participates in β ladder)trans-144.3158.3179.472.9-86.2000112.9W6 L43 S44 V45 V78 M82 L98 Y100 P101 L102W6-F29 HydrophobicContact CB-CE2 3.97Å; W6-F29 HydrophobicContact CG-CE2 4.14Å; F29-L43 HydrophobicContact CB-CD1 4.41Å; F29-L43 HydrophobicContact CD2-CD1 3.92Å; F29-S44 CarbonylContact C-O 3.58Å; F29-S44 WeakPolarHBondContact CA-O 3.26Å; F29-S44 WeakPolarHBondContact CB-O 3.41Å; F29-V45 HydrophobicContact CB-CB 4.38Å; F29-V45 HydrophobicContact CB-CG1 4.2Å; F29-V45 HydrophobicContact CB-CG2 4.03Å; F29-V78 HydrophobicContact CE2-CG1 3.51Å; F29-V78 HydrophobicContact CE2-CG2 4.28Å; F29-V78 HydrophobicContact CZ-CG1 3.56Å; F29-M82 HydrophobicContact CE1-CE 4.33Å; F29-M82 HydrophobicContact CE1-CG 4.14Å; F29-M82 HydrophobicContact CE1-SD 3.62Å; F29-M82 HydrophobicContact CZ-CG 4.22Å; F29-M82 HydrophobicContact CZ-SD 3.52Å; F29-M82 VanDerWaalsContact CZ-SD 3.52Å; F29-L98 HydrophobicContact CB-CD2 3.89Å; F29-L98 HydrophobicContact CD1-CB 3.84Å; F29-L98 HydrophobicContact CD1-CD2 4.18Å; F29-L98 HydrophobicContact CD1-CG 4.47Å; F29-L98 HydrophobicContact CD2-CD2 4.49Å; F29-L98 HydrophobicContact CE1-CB 3.95Å; F29-L98 HydrophobicContact CG-CB 4.39Å; F29-L98 HydrophobicContact CG-CD2 3.93Å; F29-Y100 PolarHBondContact N-O 3.37Å; F29-P101 HydrophobicContact CE1-CB 4.13Å; F29-P101 HydrophobicContact CE2-CB 4.41Å; F29-P101 HydrophobicContact CZ-CB 3.8Å; F29-L102 WeakPolarHBondContact O-CB 3.25Å; F29-L102 PolarHBondContact O-N 2.83Å
30L93.1Very high89.5Confident0 Ų049.4 Ų49.40%028%0.282CS..EExtended strand (participates in β ladder)trans-143.4157.21666682.3000110.5W6 I11 A16 L20 R32 S44 L102W6-L30 CarbonylContact O-C 3.57Å; W6-L30 WeakPolarHBondContact O-CA 3.36Å; I11-L30 HydrophobicContact CD1-CD1 3.92Å; I11-L30 HydrophobicContact CD1-CD2 3.95Å; A16-L30 HydrophobicContact CB-CD1 3.92Å; A16-L30 HydrophobicContact CB-CD2 4.11Å; A16-L30 HydrophobicContact CB-CG 4.44Å; L20-L30 HydrophobicContact CD1-CD2 4.44Å; L20-L30 HydrophobicContact CD1-CG 4.37Å; L20-L30 HydrophobicContact CG-CD2 4.17Å; L30-R32 HydrophobicContact CD1-CB 4.21Å; L30-R32 HydrophobicContact CD1-CG 4.09Å; L30-S44 PolarHBondContact N-O 2.66Å; L30-S44 PolarHBondContact O-N 2.71Å; L30-L102 HydrophobicContact CB-CB 4.46Å; L30-L102 HydrophobicContact CD2-CD2 3.93Å
31A91.7Very high89.5Confident2 Ų250.2 Ų50.22%0.01729%0.286CS..EExtended strand (participates in β ladder)trans-109.7146.9167.400000109.9W6 F7 H8 T42W6-A31 HydrophobicContact CE3-CB 3.68Å; W6-A31 HydrophobicContact CZ3-CB 3.66Å; W6-A31 PolarHBondContact O-N 3.39Å; F7-A31 CarbonylContact C-O 3.56Å; F7-A31 WeakPolarHBondContact CA-O 3.45Å; F7-A31 HydrophobicContact CD2-CB 4.02Å; H8-A31 PolarHBondContact N-O 3.43Å; A31-T42 WeakPolarHBondContact CA-O 3.39Å
32R90.5Very high89.6Confident14 Ų1447.1 Ų47.15%0.05327%0.27CS..EExtended strand (participates in β ladder)trans-147.2160176.955.2171.2178.668.61110.4H8 I11 S12 L30 T42 H53H8-R32 WeakPolarHBondContact O-CA 3.33Å; H8-R32 WeakPolarHBondContact O-CB 3.43Å; I11-R32 HydrophobicContact CG1-CB 4.08Å; S12-R32 VanDerWaalsContact O-CD 3.3Å; S12-R32 WeakPolarHBondContact O-CD 3.47Å; S12-R32 PolarHBondContact O-NE 3.49Å; L30-R32 HydrophobicContact CD1-CB 4.21Å; L30-R32 HydrophobicContact CD1-CG 4.09Å; R32-T42 PolarHBondContact N-O 3.28Å; R32-T42 VanDerWaalsContact NH1-CB 3.32Å; R32-T42 PolarHBondContact NH1-OG1 2.85Å; R32-T42 VanDerWaalsContact NH1-OG1 3.08Å; R32-T42 PolarHBondContact O-N 3.24Å; R32-H53 PolarHBondContact NH2-CD2 3.36Å; R32-H53 PolarHBondContact NH2-CE1 2.87Å; R32-H53 PolarHBondContact NH2-NE2 3.38Å; R32-H53 VanDerWaalsContact NH2-NE2 3.11Å
33P87.6Confident89.9Confident6 Ų641.8 Ų41.84%0.03924%0.237CC..EExtended strand (participates in β ladder)trans-58.8156.5165.5-23.235000112.4F7 H8 P9 W249F7-P33 HydrophobicContact CZ-CG 3.99Å; H8-P33 VanDerWaalsContact O-CD 3.25Å; H8-P33 WeakPolarHBondContact O-CD 3.21Å; P9-P33 WeakPolarHBondContact O-CD 3.32Å; P9-P33 WeakPolarHBondContact O-CG 3.46Å; P33-W249 HydrophobicContact CG-CH2 4.45Å; P33-W249 HydrophobicContact CG-CZ2 3.76Å
34S88.6Confident90.3Very high5 Ų533.7 Ų33.74%0.03521%0.206CC..  trans-81.4121.6169.9173.10000110.1S36 N37 D40S34-S36 PolarHBondContact OG-OG 3.48Å; S34-N37 WeakPolarHBondContact CB-O 3.33Å; S34-N37 PolarHBondContact OG-N 3.08Å; S34-N37 PolarHBondContact OG-O 3.43Å; S34-N37 VanDerWaalsContact OG-O 3.09Å; S34-D40 WeakPolarHBondContact CB-O 3.25Å; S34-D40 PolarHBondContact N-O 2.86Å
35K84.8Confident90.7Very high129 Ų12933.2 Ų33.256%0.56120%0.202SC*.SBendtrans-79.5-19.2169.8-68.2-167.2-179.31790112.6N10 I11 E15N10-K35 VanDerWaalsContact O-CE 3.27Å; N10-K35 WeakPolarHBondContact O-CE 3.4Å; N10-K35 PolarHBondContact O-NZ 2.93Å; I11-K35 WeakPolarHBondContact O-CE 3.33Å; E15-K35 IonicContact OE2-NZ 2.62Å
36S86.4Confident90.8Very high100 Ų10031.5 Ų31.570%0.69919%0.187SC*.SBendtrans-94.3-17.7-178.363.70000114.8S34S34-S36 PolarHBondContact OG-OG 3.48Å
37N84.6Confident90.7Very high69 Ų6930.6 Ų30.637%0.36918%0.179SC..SBendtrans-143.695.9176.6-66.7-109.4000107.3S34 D40S34-N37 WeakPolarHBondContact CB-O 3.33Å; S34-N37 PolarHBondContact OG-N 3.08Å; S34-N37 PolarHBondContact OG-O 3.43Å; S34-N37 VanDerWaalsContact OG-O 3.09Å; N37-D40 HydrophobicContact CB-CB 4.14Å; N37-D40 VanDerWaalsContact CB-OD2 3.25Å; N37-D40 WeakPolarHBondContact CB-OD2 3.28Å; N37-D40 WeakPolarHBondContact O-CB 3.48Å; N37-D40 PolarHBondContact O-N 3.47Å
38P82.6Confident90.7Very high118 Ų11837 Ų3777%0.76621%0.211SC*.THydrogen-bonded Turntrans-55.1143.5176.9-26.936.1000112.2D40P38-D40 VanDerWaalsContact C-N 3.26Å; P38-D40 PolarHBondContact O-N 3.14Å
39G79.7Confident90.5Very high49 Ų4938.7 Ų38.751%0.50523%0.229SC..THydrogen-bonded Turntrans85-26.5-174.400000115.1F41G39-F41 WeakPolarHBondContact O-CE2 3.44Å
40D89.4Confident90.4Very high17 Ų1741.3 Ų41.39%0.09125%0.251CS..  trans-81.4166.6169.4-67.7-49.4000111.6S34 N37 P38 K55 Q57S34-D40 WeakPolarHBondContact CB-O 3.25Å; S34-D40 PolarHBondContact N-O 2.86Å; N37-D40 HydrophobicContact CB-CB 4.14Å; N37-D40 VanDerWaalsContact CB-OD2 3.25Å; N37-D40 WeakPolarHBondContact CB-OD2 3.28Å; N37-D40 WeakPolarHBondContact O-CB 3.48Å; N37-D40 PolarHBondContact O-N 3.47Å; P38-D40 VanDerWaalsContact C-N 3.26Å; P38-D40 PolarHBondContact O-N 3.14Å; D40-K55 WeakPolarHBondContact OD2-CE 3.36Å; D40-K55 IonicContact OD2-NZ 2.6Å; D40-K55 PolarHBondContact OD2-NZ 2.99Å; D40-Q57 WeakPolarHBondContact OD1-CA 3.41Å; D40-Q57 WeakPolarHBondContact OD1-CB 3.36Å; D40-Q57 WeakPolarHBondContact OD1-CG 3.35Å; D40-Q57 PolarHBondContact OD1-NE2 3.48Å; D40-Q57 PolarHBondContact OD2-NE2 3.45Å
41F91.9Very high90.5Very high17 Ų1742.7 Ų42.78%0.07526%0.26CS..EExtended strand (participates in β ladder)trans-127168.6177.9-58.5-96.1000111.2F7 G39 I56 Y63 L74F7-F41 AromaticContact CE2-CD1 3.83Å; F7-F41 HydrophobicContact CE2-CD1 3.83Å; F7-F41 AromaticContact CE2-CE1 3.97Å; F7-F41 HydrophobicContact CE2-CE1 3.97Å; F7-F41 HydrophobicContact CZ-CD1 4.15Å; F7-F41 AromaticContact CZ-CE1 3.93Å; F7-F41 HydrophobicContact CZ-CE1 3.93Å; G39-F41 WeakPolarHBondContact O-CE2 3.44Å; F41-I56 HydrophobicContact CB-CB 4.08Å; F41-I56 HydrophobicContact CB-CG2 4.42Å; F41-I56 PolarHBondContact N-O 2.96Å; F41-I56 PolarHBondContact O-N 3.04Å; F41-Y63 HydrophobicContact CD2-CD1 4.37Å; F41-Y63 HydrophobicContact CD2-CE1 4.02Å; F41-Y63 HydrophobicContact CE2-CD1 4.44Å; F41-Y63 AromaticContact CE2-CE1 3.7Å; F41-Y63 HydrophobicContact CE2-CE1 3.7Å; F41-Y63 HydrophobicContact CZ-CE1 4.32Å; F41-L74 HydrophobicContact CD1-CD1 4.01Å; F41-L74 HydrophobicContact CE1-CD1 4.07Å; F41-L74 HydrophobicContact CG-CD1 4.27Å; F41-L74 HydrophobicContact CZ-CD1 4.42Å
42T95.1Very high90.6Very high14 Ų1443.9 Ų43.99%0.08627%0.267CS..EExtended strand (participates in β ladder)trans-134.9125.9175-460000110.6A31 R32 H53 I54A31-T42 WeakPolarHBondContact CA-O 3.39Å; R32-T42 PolarHBondContact N-O 3.28Å; R32-T42 VanDerWaalsContact NH1-CB 3.32Å; R32-T42 PolarHBondContact NH1-OG1 2.85Å; R32-T42 VanDerWaalsContact NH1-OG1 3.08Å; R32-T42 PolarHBondContact O-N 3.24Å; T42-H53 HydrophobicContact CG2-CB 3.85Å; T42-I54 WeakPolarHBondContact CA-O 3.46Å
43L95.9Very high90.8Very high0 Ų046.5 Ų46.50%028%0.28CS..EExtended strand (participates in β ladder)trans-89121166177.360.7000107.8F29 V45 I54 I56 L65 L77 L88 L98F29-L43 HydrophobicContact CB-CD1 4.41Å; F29-L43 HydrophobicContact CD2-CD1 3.92Å; L43-V45 HydrophobicContact CD1-CG2 4.36Å; L43-V45 HydrophobicContact CD2-CG2 4.49Å; L43-V45 HydrophobicContact CG-CG2 3.94Å; L43-I54 HydrophobicContact CB-CB 4.39Å; L43-I54 HydrophobicContact CD2-CD1 4.16Å; L43-I54 HydrophobicContact CG-CD1 4.39Å; L43-I54 PolarHBondContact N-O 2.77Å; L43-I54 PolarHBondContact O-N 2.88Å; L43-I56 HydrophobicContact CB-CD1 3.96Å; L43-L65 HydrophobicContact CD2-CD1 4.43Å; L43-L77 HydrophobicContact CD2-CD2 4.34Å; L43-L88 HydrophobicContact CD2-CD2 4.29Å; L43-L98 HydrophobicContact CD1-CD2 4.47Å; L43-L98 HydrophobicContact CD2-CD1 4.13Å; L43-L98 HydrophobicContact CD2-CD2 4.26Å
44S96.3Very high91Very high0 Ų046.8 Ų46.80%028%0.281CS..EExtended strand (participates in β ladder)trans-109.9123.5-178.5-50.60000108.3F29 L30 T52 H53F29-S44 CarbonylContact C-O 3.58Å; F29-S44 WeakPolarHBondContact CA-O 3.26Å; F29-S44 WeakPolarHBondContact CB-O 3.41Å; L30-S44 PolarHBondContact N-O 2.66Å; L30-S44 PolarHBondContact O-N 2.71Å; S44-T52 WeakPolarHBondContact CA-O 3.23Å; S44-H53 WeakPolarHBondContact CB-ND1 3.45Å; S44-H53 PolarHBondContact OG-CE1 2.83Å; S44-H53 VanDerWaalsContact OG-CE1 3.24Å; S44-H53 PolarHBondContact OG-ND1 3.23Å; S44-H53 VanDerWaalsContact OG-ND1 3.09Å
45V96.3Very high91.3Very high0 Ų049.6 Ų49.60%029%0.292CS..EExtended strand (participates in β ladder)trans-132.2132.1-173-167.80000110.1F29 L43 V51 T52 I54 I96 L98F29-V45 HydrophobicContact CB-CB 4.38Å; F29-V45 HydrophobicContact CB-CG1 4.2Å; F29-V45 HydrophobicContact CB-CG2 4.03Å; L43-V45 HydrophobicContact CD1-CG2 4.36Å; L43-V45 HydrophobicContact CD2-CG2 4.49Å; L43-V45 HydrophobicContact CG-CG2 3.94Å; V45-V51 CarbonylContact O-C 3.51Å; V45-V51 WeakPolarHBondContact O-CA 3.4Å; V45-T52 PolarHBondContact N-O 3.46Å; V45-T52 PolarHBondContact O-N 2.86Å; V45-I54 HydrophobicContact CG2-CD1 4.21Å; V45-I96 HydrophobicContact CB-CG2 3.89Å; V45-I96 HydrophobicContact CG1-CG2 3.72Å; V45-I96 HydrophobicContact CG2-CG2 3.98Å; V45-L98 HydrophobicContact CB-CD2 4.48Å; V45-L98 HydrophobicContact CG1-CD2 4.04Å; V45-L98 HydrophobicContact CG2-CD2 3.56Å
46R96.3Very high91.7Very high44 Ų4443.5 Ų43.517%0.16627%0.266CS..EExtended strand (participates in β ladder)trans-85.1127.6173.1179.6172.4161.7155.86.8110.8L20 L21 G24 V25 D26 G27 S28 A50 V51L20-R46 HydrophobicContact CB-CB 4.34Å; L20-R46 WeakPolarHBondContact O-CD 3.36Å; L20-R46 PolarHBondContact O-NH1 3.24Å; L21-R46 PolarHBondContact O-NH1 2.8Å; G24-R46 PolarHBondContact O-NH1 2.86Å; V25-R46 WeakPolarHBondContact O-CD 3.41Å; D26-R46 WeakPolarHBondContact OD1-CG 3.49Å; D26-R46 IonicContact OD1-CZ 3.07Å; D26-R46 IonicContact OD1-NE 3.75Å; D26-R46 PolarHBondContact OD1-NE 3.42Å; D26-R46 IonicContact OD1-NH2 3.94Å; G27-R46 PolarHBondContact N-O 3.09Å; S28-R46 PolarHBondContact O-N 2.95Å; R46-A50 CarbonylContact C-O 3.58Å; R46-A50 VanDerWaalsContact CA-O 3.25Å; R46-A50 WeakPolarHBondContact CA-O 3.18Å; R46-V51 HydrophobicContact CB-CG2 4.39Å
47R92.2Very high92Very high46 Ų4642.4 Ų42.417%0.17425%0.25CC..EExtended strand (participates in β ladder)trans-147141.3174.272.6-176.9-167.5101.9-3.2110.8G49 A50 T52 E90 D94R47-G49 PolarHBondContact O-N 2.91Å; R47-A50 PolarHBondContact N-O 2.87Å; R47-A50 CarbonylContact O-C 3.6Å; R47-A50 PolarHBondContact O-N 3.03Å; R47-A50 VanDerWaalsContact O-O 3.08Å; R47-T52 PolarHBondContact NE-OG1 3.25Å; R47-E90 IonicContact CZ-OE1 3.13Å; R47-E90 VanDerWaalsContact CZ-OE1 3.22Å; R47-E90 IonicContact CZ-OE2 3.67Å; R47-E90 IonicContact NE-OE1 3.6Å; R47-E90 PolarHBondContact NE-OE1 2.67Å; R47-E90 IonicContact NH2-OE1 2.99Å; R47-E90 PolarHBondContact NH2-OE1 2.86Å; R47-E90 IonicContact NH2-OE2 2.73Å; R47-E90 PolarHBondContact NH2-OE2 3.43Å; R47-D94 IonicContact CZ-OD2 2.6Å; R47-D94 VanDerWaalsContact CZ-OD2 3.29Å; R47-D94 IonicContact NH1-OD2 2.79Å; R47-D94 PolarHBondContact NH1-OD2 2.81Å; R47-D94 IonicContact NH2-OD2 3.69Å; R47-D94 PolarHBondContact NH2-OD2 2.89Å
48N91.3Very high92.1Very high140 Ų14039.6 Ų39.675%0.74924%0.235SC*.THydrogen-bonded Turntrans50.440.5178.5-55.3-15.2000113.4D26 A50D26-N48 WeakPolarHBondContact OD2-CA 3.33Å; D26-N48 PolarHBondContact OD2-N 2.84Å; N48-A50 PolarHBondContact O-N 3.22Å
49G90.6Very high91.9Very high42 Ų4236.2 Ų36.243%0.43321%0.212SC..THydrogen-bonded Turntrans70.2-0.6-174.900000116.4L21 D26 R47L21-G49 VanDerWaalsContact CD2-O 3.26Å; L21-G49 WeakPolarHBondContact CD2-O 3.4Å; D26-G49 PolarHBondContact OD1-N 3.49Å; D26-G49 PolarHBondContact OD2-N 2.86Å; R47-G49 PolarHBondContact O-N 2.91Å
50A93.6Very high91.9Very high56 Ų5634 Ų3446%0.46319%0.189SC..EExtended strand (participates in β ladder)trans-112.9177177.700000111.7R46 R47 N48R46-A50 CarbonylContact C-O 3.58Å; R46-A50 VanDerWaalsContact CA-O 3.25Å; R46-A50 WeakPolarHBondContact CA-O 3.18Å; R47-A50 PolarHBondContact N-O 2.87Å; R47-A50 CarbonylContact O-C 3.6Å; R47-A50 PolarHBondContact O-N 3.03Å; R47-A50 VanDerWaalsContact O-O 3.08Å; N48-A50 PolarHBondContact O-N 3.22Å
51V95.4Very high91.4Very high29 Ų2933.3 Ų33.318%0.17619%0.185CC..EExtended strand (participates in β ladder)trans-124.1126.4178.9177.60000110.8E17 L20 L21 V45 R46E17-V51 HydrophobicContact CG-CB 4.14Å; E17-V51 HydrophobicContact CG-CG1 4.02Å; L20-V51 HydrophobicContact CB-CG2 3.92Å; L20-V51 HydrophobicContact CD1-CG1 3.81Å; L20-V51 HydrophobicContact CD1-CG2 4.31Å; L21-V51 HydrophobicContact CD2-CG2 4.09Å; L21-V51 HydrophobicContact CG-CG2 4.04Å; V45-V51 CarbonylContact O-C 3.51Å; V45-V51 WeakPolarHBondContact O-CA 3.4Å; R46-V51 HydrophobicContact CB-CG2 4.39Å
52T93.5Very high91.3Very high27 Ų2733.4 Ų33.417%0.16619%0.185CC..EExtended strand (participates in β ladder)trans-95.6139.1170.4-63.60000109.9S44 V45 R47 I54 E90 I96S44-T52 WeakPolarHBondContact CA-O 3.23Å; V45-T52 PolarHBondContact N-O 3.46Å; V45-T52 PolarHBondContact O-N 2.86Å; R47-T52 PolarHBondContact NE-OG1 3.25Å; T52-I54 HydrophobicContact CG2-CG1 3.95Å; T52-E90 WeakPolarHBondContact CB-OE1 3.47Å; T52-E90 HydrophobicContact CG2-CG 4.46Å; T52-E90 WeakPolarHBondContact CG2-OE1 3.37Å; T52-E90 PolarHBondContact OG1-OE1 2.77Å; T52-I96 HydrophobicContact CG2-CD1 4.32Å
53H94.1Very high91.1Very high69 Ų6932.8 Ų32.832%0.31918%0.181SC..EExtended strand (participates in β ladder)trans-109.8118.2169.8-75.3-23.5000111.2G13 E17 R32 T42 S44G13-H53 WeakPolarHBondContact CA-NE2 3.09Å; E17-H53 IonicContact OE1-CD2 3.12Å; E17-H53 IonicContact OE1-NE2 2.67Å; R32-H53 PolarHBondContact NH2-CD2 3.36Å; R32-H53 PolarHBondContact NH2-CE1 2.87Å; R32-H53 PolarHBondContact NH2-NE2 3.38Å; R32-H53 VanDerWaalsContact NH2-NE2 3.11Å; T42-H53 HydrophobicContact CG2-CB 3.85Å; S44-H53 WeakPolarHBondContact CB-ND1 3.45Å; S44-H53 PolarHBondContact OG-CE1 2.83Å; S44-H53 VanDerWaalsContact OG-CE1 3.24Å; S44-H53 PolarHBondContact OG-ND1 3.23Å; S44-H53 VanDerWaalsContact OG-ND1 3.09Å
54I93.3Very high90.9Very high12 Ų1234.7 Ų34.76%0.06219%0.191CC..EExtended strand (participates in β ladder)trans-109.1125.7-178.5-41.9166.8000109T42 L43 V45 T52 L65 Y66 L88 I96T42-I54 WeakPolarHBondContact CA-O 3.46Å; L43-I54 HydrophobicContact CB-CB 4.39Å; L43-I54 HydrophobicContact CD2-CD1 4.16Å; L43-I54 HydrophobicContact CG-CD1 4.39Å; L43-I54 PolarHBondContact N-O 2.77Å; L43-I54 PolarHBondContact O-N 2.88Å; V45-I54 HydrophobicContact CG2-CD1 4.21Å; T52-I54 HydrophobicContact CG2-CG1 3.95Å; I54-L65 HydrophobicContact CB-CD1 4.33Å; I54-L65 HydrophobicContact CG2-CD1 3.64Å; I54-L65 HydrophobicContact CG2-CG 4.32Å; I54-Y66 WeakPolarHBondContact CG2-O 3.48Å; I54-L88 HydrophobicContact CD1-CD1 4.45Å; I54-L88 HydrophobicContact CD1-CD2 3.83Å; I54-L88 HydrophobicContact CD1-CG 4.35Å; I54-I96 HydrophobicContact CD1-CD1 3.47Å; I54-I96 VanDerWaalsContact CD1-CD1 3.47Å; I54-I96 HydrophobicContact CD1-CG2 4.39Å; I54-I96 HydrophobicContact CG1-CD1 4.05Å
55K94.1Very high90.6Very high64 Ų6434.8 Ų34.828%0.27819%0.192SC..EExtended strand (participates in β ladder)trans-74.4132.9178.7-164.6179.2-172.6-169.50110.7D40 Q57 Y66D40-K55 WeakPolarHBondContact OD2-CE 3.36Å; D40-K55 IonicContact OD2-NZ 2.6Å; D40-K55 PolarHBondContact OD2-NZ 2.99Å; K55-Q57 HydrophobicContact CD-CG 4.08Å; K55-Q57 HydrophobicContact CG-CG 4.24Å; K55-Q57 VanDerWaalsContact NZ-NE2 3.11Å; K55-Y66 VanDerWaalsContact O-CB 3.27Å; K55-Y66 WeakPolarHBondContact O-CB 3.27Å; K55-Y66 PolarHBondContact O-N 2.81Å
56I93.5Very high90.1Very high1 Ų141 Ų411%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-111.8129165.1-65.7163.2000107F41 L43 Y63 D64 L65 L74 L77F41-I56 HydrophobicContact CB-CB 4.08Å; F41-I56 HydrophobicContact CB-CG2 4.42Å; F41-I56 PolarHBondContact N-O 2.96Å; F41-I56 PolarHBondContact O-N 3.04Å; L43-I56 HydrophobicContact CB-CD1 3.96Å; I56-Y63 HydrophobicContact CG2-CD1 4Å; I56-D64 WeakPolarHBondContact CA-O 3.5Å; I56-L65 HydrophobicContact CD1-CD1 4.11Å; I56-L65 HydrophobicContact CG1-CD1 3.38Å; I56-L74 HydrophobicContact CD1-CD2 3.91Å; I56-L74 HydrophobicContact CG2-CD2 4.1Å; I56-L77 HydrophobicContact CD1-CD1 3.83Å; I56-L77 HydrophobicContact CD1-CD2 4.28Å; I56-L77 HydrophobicContact CG1-CD1 4.09Å; I56-L77 HydrophobicContact CG2-CD1 4.34Å
57Q91.9Very high89.2Confident77 Ų7741.6 Ų41.636%0.3624%0.236SC..EExtended strand (participates in β ladder)trans-106.2142175.5-55.3-146.9-101.300111.4D40 K55 Y63 D64D40-Q57 WeakPolarHBondContact OD1-CA 3.41Å; D40-Q57 WeakPolarHBondContact OD1-CB 3.36Å; D40-Q57 WeakPolarHBondContact OD1-CG 3.35Å; D40-Q57 PolarHBondContact OD1-NE2 3.48Å; D40-Q57 PolarHBondContact OD2-NE2 3.45Å; K55-Q57 HydrophobicContact CD-CG 4.08Å; K55-Q57 HydrophobicContact CG-CG 4.24Å; K55-Q57 VanDerWaalsContact NZ-NE2 3.11Å; Q57-Y63 CarbonylContact O-C 3.59Å; Q57-Y63 WeakPolarHBondContact O-CA 3.42Å; Q57-D64 PolarHBondContact N-O 2.77Å; Q57-D64 PolarHBondContact O-N 2.84Å
58N86.7Confident88.9Confident10 Ų1040.7 Ų40.75%0.05324%0.241CC..EExtended strand (participates in β ladder)trans-138.3113167.4-172.2-18000109.8G60 Y62 Y63 Q507 T508N58-G60 PolarHBondContact OD1-N 2.9Å; N58-Y62 PolarHBondContact OD1-O 2.99Å; N58-Y63 HydrophobicContact CB-CD1 3.86Å; N58-Y63 HydrophobicContact CB-CE1 4.01Å; N58-Y63 HydrophobicContact CB-CG 4.44Å; N58-Y63 VanDerWaalsContact ND2-CE1 3.29Å; N58-Y63 WeakPolarHBondContact ND2-CE1 3.13Å; N58-Y63 WeakPolarHBondContact ND2-CE2 3.41Å; N58-Q507 PolarHBondContact ND2-O 3.35Å; N58-Q507 VanDerWaalsContact ND2-O 3.12Å; N58-Q507 PolarHBondContact ND2-OE1 2.89Å; N58-Q507 VanDerWaalsContact ND2-OE1 3.13Å; N58-T508 HydrophobicContact CB-CG2 4.34Å; N58-T508 WeakPolarHBondContact OD1-CG2 3.3Å
59T78.8Confident88.9Confident47 Ų4736.9 Ų36.929%0.28822%0.219SC..SBendtrans-102.58.1-17864.30000113.3H427 G428T59-H427 WeakPolarHBondContact CB-ND1 3.3Å; T59-G428 PolarHBondContact O-N 3.16Å
60G79.1Confident89Confident2 Ų237.4 Ų37.42%0.02121%0.209CC..SBendtrans106.33.4-178.300000115.8N58 G465 Q511N58-G60 PolarHBondContact OD1-N 2.9Å; G60-G465 WeakPolarHBondContact O-CA 3.48Å; G60-Q511 PolarHBondContact O-NE2 2.88Å
61D80.1Confident89Confident2 Ų234.8 Ų34.81%0.01119%0.188CC..SBendtrans-111-40176.9-87.6-37.1000113.7K367 A462 I464D61-K367 IonicContact OD2-NZ 2.78Å; D61-K367 PolarHBondContact OD2-NZ 2.74Å; D61-A462 WeakPolarHBondContact O-CB 3.45Å; D61-I464 WeakPolarHBondContact O-CD1 3.49Å; D61-I464 VanDerWaalsContact O-CG1 3.3Å; D61-I464 WeakPolarHBondContact O-CG1 3.42Å
62Y89.7Confident88.8Confident20 Ų2033.4 Ų33.48%0.07818%0.179CC..  trans-170.7166.8-174.947.4-105.9000110.1N58 D64 K70 Y280 I283 A462N58-Y62 PolarHBondContact OD1-O 2.99Å; Y62-D64 HydrophobicContact CD2-CB 4.01Å; Y62-D64 HydrophobicContact CE2-CB 3.81Å; Y62-D64 WeakPolarHBondContact CE2-OD2 3.4Å; Y62-K70 HydrophobicContact CD2-CB 4.01Å; Y62-K70 HydrophobicContact CD2-CD 4.04Å; Y62-K70 HydrophobicContact CD2-CG 3.7Å; Y62-K70 HydrophobicContact CE1-CD 4.4Å; Y62-K70 HydrophobicContact CE2-CB 4.48Å; Y62-K70 HydrophobicContact CE2-CD 3.66Å; Y62-K70 HydrophobicContact CE2-CG 3.73Å; Y62-K70 HydrophobicContact CG-CB 4.28Å; Y62-K70 HydrophobicContact CG-CG 4.38Å; Y62-Y280 HydrophobicContact CD1-CD2 4.41Å; Y62-Y280 HydrophobicContact CD1-CE1 4.18Å; Y62-Y280 HydrophobicContact CD1-CE2 4.01Å; Y62-Y280 AromaticContact CD1-CZ 3.89Å; Y62-Y280 HydrophobicContact CE1-CD1 4.44Å; Y62-Y280 AromaticContact CE1-CE1 3.69Å; Y62-Y280 HydrophobicContact CE1-CE1 3.69Å; Y62-Y280 HydrophobicContact CE1-CE2 4.04Å; Y62-Y280 AromaticContact CE1-CZ 3.46Å; Y62-Y280 VanDerWaalsContact CE1-CZ 3.46Å; Y62-Y280 WeakPolarHBondContact CE1-OH 3.18Å; Y62-I283 HydrophobicContact CD1-CD1 4.46Å; Y62-I283 HydrophobicContact CG-CD1 4.3Å; Y62-A462 HydrophobicContact CD1-CB 4.43Å
63Y89.9Confident88.5Confident1 Ų132.4 Ų32.40%0.00417%0.173CC..EExtended strand (participates in β ladder)trans-86.6118.9166.7-64.3-90.6000110.3F41 I56 Q57 N58 K70 F71 L74 Q256F41-Y63 HydrophobicContact CD2-CD1 4.37Å; F41-Y63 HydrophobicContact CD2-CE1 4.02Å; F41-Y63 HydrophobicContact CE2-CD1 4.44Å; F41-Y63 AromaticContact CE2-CE1 3.7Å; F41-Y63 HydrophobicContact CE2-CE1 3.7Å; F41-Y63 HydrophobicContact CZ-CE1 4.32Å; I56-Y63 HydrophobicContact CG2-CD1 4Å; Q57-Y63 CarbonylContact O-C 3.59Å; Q57-Y63 WeakPolarHBondContact O-CA 3.42Å; N58-Y63 HydrophobicContact CB-CD1 3.86Å; N58-Y63 HydrophobicContact CB-CE1 4.01Å; N58-Y63 HydrophobicContact CB-CG 4.44Å; N58-Y63 VanDerWaalsContact ND2-CE1 3.29Å; N58-Y63 WeakPolarHBondContact ND2-CE1 3.13Å; N58-Y63 WeakPolarHBondContact ND2-CE2 3.41Å; Y63-K70 CarbonylContact O-C 3.56Å; Y63-K70 VanDerWaalsContact O-CA 3.29Å; Y63-K70 WeakPolarHBondContact O-CA 3.26Å; Y63-F71 PolarHBondContact N-O 3.45Å; Y63-F71 PolarHBondContact O-N 2.87Å; Y63-L74 HydrophobicContact CD1-CD1 4.48Å; Y63-L74 HydrophobicContact CD1-CD2 3.56Å; Y63-L74 HydrophobicContact CD1-CG 3.74Å; Y63-L74 HydrophobicContact CE1-CD1 3.91Å; Y63-L74 HydrophobicContact CE1-CD2 3.85Å; Y63-L74 HydrophobicContact CE1-CG 3.54Å; Y63-L74 HydrophobicContact CG-CD2 4.19Å; Y63-L74 HydrophobicContact CG-CG 4.33Å; Y63-Q256 PolarHBondContact OH-NE2 2.8Å; Y63-Q256 VanDerWaalsContact OH-NE2 3.15Å
64D92.3Very high88.2Confident39 Ų3929.2 Ų29.221%0.20916%0.158CC..EExtended strand (participates in β ladder)trans-106.8109.9-178.7-151.3-15.1000109.8I56 Q57 Y62 K70I56-D64 WeakPolarHBondContact CA-O 3.5Å; Q57-D64 PolarHBondContact N-O 2.77Å; Q57-D64 PolarHBondContact O-N 2.84Å; Y62-D64 HydrophobicContact CD2-CB 4.01Å; Y62-D64 HydrophobicContact CE2-CB 3.81Å; Y62-D64 WeakPolarHBondContact CE2-OD2 3.4Å; D64-K70 HydrophobicContact CB-CG 4.25Å; D64-K70 WeakPolarHBondContact OD1-CE 3.38Å; D64-K70 WeakPolarHBondContact OD1-CG 3.37Å; D64-K70 IonicContact OD1-NZ 3.45Å; D64-K70 PolarHBondContact OD1-NZ 3.18Å; D64-K70 WeakPolarHBondContact OD2-CE 3.43Å; D64-K70 IonicContact OD2-NZ 3.21Å; D64-K70 PolarHBondContact OD2-NZ 2.75Å
65L90.8Very high87.9Confident2 Ų228.7 Ų28.71%0.0116%0.156CC..EExtended strand (participates in β ladder)trans-83125.3178.7-176.463.4000110.1L43 I54 I56 G67 G68 E69 L77 Y81 L88L43-L65 HydrophobicContact CD2-CD1 4.43Å; I54-L65 HydrophobicContact CB-CD1 4.33Å; I54-L65 HydrophobicContact CG2-CD1 3.64Å; I54-L65 HydrophobicContact CG2-CG 4.32Å; I56-L65 HydrophobicContact CD1-CD1 4.11Å; I56-L65 HydrophobicContact CG1-CD1 3.38Å; L65-G67 PolarHBondContact O-N 3.05Å; L65-G68 CarbonylContact O-C 3.56Å; L65-G68 WeakPolarHBondContact O-CA 3.48Å; L65-G68 PolarHBondContact O-N 3.1Å; L65-E69 PolarHBondContact N-O 2.75Å; L65-L77 HydrophobicContact CB-CD1 4.19Å; L65-L77 HydrophobicContact CD2-CD2 4.34Å; L65-Y81 HydrophobicContact CD2-CD2 3.9Å; L65-Y81 HydrophobicContact CD2-CE2 3.27Å; L65-L88 HydrophobicContact CD2-CD1 3.5Å; L65-L88 VanDerWaalsContact CD2-CD1 3.5Å; L65-L88 HydrophobicContact CD2-CD2 4.39Å; L65-L88 HydrophobicContact CG-CD1 4.29Å
66Y85.9Confident87.5Confident130 Ų13025.9 Ų25.951%0.5114%0.144SC..THydrogen-bonded Turntrans-65.5119179.9-171.7-89.1000111.1I54 K55 K91I54-Y66 WeakPolarHBondContact CG2-O 3.48Å; K55-Y66 VanDerWaalsContact O-CB 3.27Å; K55-Y66 WeakPolarHBondContact O-CB 3.27Å; K55-Y66 PolarHBondContact O-N 2.81Å; Y66-K91 WeakPolarHBondContact OH-CE 3.43Å; Y66-K91 PolarHBondContact OH-NZ 3.4Å
67G77.1Confident87.4Confident58 Ų5825.8 Ų25.860%0.59814%0.143SC*.THydrogen-bonded Turntrans84.17.9-172.100000114.5L65L65-G67 PolarHBondContact O-N 3.05Å
68G85.2Confident87.3Confident27 Ų2722.2 Ų22.228%0.27813%0.127SC..SBendtrans-138.9-151.3-176.700000114.6L65 Y81L65-G68 CarbonylContact O-C 3.56Å; L65-G68 WeakPolarHBondContact O-CA 3.48Å; L65-G68 PolarHBondContact O-N 3.1Å; G68-Y81 WeakPolarHBondContact CA-OH 3.3Å
69E91.3Very high87.4Confident60 Ų6023.3 Ų23.328%0.2813%0.132SC..  trans-98.7177.2-171.9-66-81.9-160.300112.6L65 F71 Y81 K281 N282L65-E69 PolarHBondContact N-O 2.75Å; E69-F71 HydrophobicContact CB-CE2 3.64Å; E69-F71 HydrophobicContact CB-CZ 3.73Å; E69-F71 WeakPolarHBondContact O-CE2 3.38Å; E69-Y81 PolarHBondContact N-OH 2.86Å; E69-K281 WeakPolarHBondContact OE1-CD 3.25Å; E69-K281 WeakPolarHBondContact OE1-CE 3.49Å; E69-K281 IonicContact OE1-NZ 3.58Å; E69-K281 PolarHBondContact OE1-NZ 3.23Å; E69-N282 WeakPolarHBondContact CB-ND2 3.2Å
70K93.8Very high88Confident52 Ų5222.4 Ų22.423%0.22612%0.123CC..EExtended strand (participates in β ladder)trans-111.3138.9178.6-68.5155.8-178.150.40111.7Y62 Y63 D64 Y280 N282Y62-K70 HydrophobicContact CD2-CB 4.01Å; Y62-K70 HydrophobicContact CD2-CD 4.04Å; Y62-K70 HydrophobicContact CD2-CG 3.7Å; Y62-K70 HydrophobicContact CE1-CD 4.4Å; Y62-K70 HydrophobicContact CE2-CB 4.48Å; Y62-K70 HydrophobicContact CE2-CD 3.66Å; Y62-K70 HydrophobicContact CE2-CG 3.73Å; Y62-K70 HydrophobicContact CG-CB 4.28Å; Y62-K70 HydrophobicContact CG-CG 4.38Å; Y63-K70 CarbonylContact O-C 3.56Å; Y63-K70 VanDerWaalsContact O-CA 3.29Å; Y63-K70 WeakPolarHBondContact O-CA 3.26Å; D64-K70 HydrophobicContact CB-CG 4.25Å; D64-K70 WeakPolarHBondContact OD1-CE 3.38Å; D64-K70 WeakPolarHBondContact OD1-CG 3.37Å; D64-K70 IonicContact OD1-NZ 3.45Å; D64-K70 PolarHBondContact OD1-NZ 3.18Å; D64-K70 WeakPolarHBondContact OD2-CE 3.43Å; D64-K70 IonicContact OD2-NZ 3.21Å; D64-K70 PolarHBondContact OD2-NZ 2.75Å; K70-Y280 HydrophobicContact CB-CD1 4.4Å; K70-Y280 HydrophobicContact CD-CD1 3.7Å; K70-Y280 HydrophobicContact CD-CE1 3.92Å; K70-N282 WeakPolarHBondContact O-CB 3.48Å
71F93.1Very high88.7Confident2 Ų222.5 Ų22.51%0.00912%0.123CC..EExtended strand (participates in β ladder)trans-135.9156.6-171.3-59.4-89.6000112.2Y63 E69 E76 L77 Y80 Y81 N282Y63-F71 PolarHBondContact N-O 3.45Å; Y63-F71 PolarHBondContact O-N 2.87Å; E69-F71 HydrophobicContact CB-CE2 3.64Å; E69-F71 HydrophobicContact CB-CZ 3.73Å; E69-F71 WeakPolarHBondContact O-CE2 3.38Å; F71-E76 HydrophobicContact CD1-CB 4.32Å; F71-L77 HydrophobicContact CB-CB 4.03Å; F71-L77 HydrophobicContact CD1-CB 4.22Å; F71-L77 HydrophobicContact CD2-CB 3.68Å; F71-L77 HydrophobicContact CD2-CD1 3.89Å; F71-L77 HydrophobicContact CD2-CG 3.66Å; F71-L77 HydrophobicContact CE2-CB 4.19Å; F71-L77 HydrophobicContact CE2-CD1 4.39Å; F71-L77 HydrophobicContact CE2-CG 3.87Å; F71-L77 HydrophobicContact CG-CB 3.7Å; F71-L77 HydrophobicContact CG-CG 4.23Å; F71-Y80 VanDerWaalsContact CE1-CB 3.48Å; F71-Y80 AromaticContact CE1-CD1 3.9Å; F71-Y80 HydrophobicContact CE1-CD1 3.9Å; F71-Y80 HydrophobicContact CE1-CD2 4.18Å; F71-Y80 AromaticContact CE1-CG 3.6Å; F71-Y80 HydrophobicContact CE1-CG 3.6Å; F71-Y80 AromaticContact CZ-CD1 3.63Å; F71-Y80 HydrophobicContact CZ-CD1 3.63Å; F71-Y80 HydrophobicContact CZ-CE1 4.27Å; F71-Y80 AromaticContact CZ-CG 3.86Å; F71-Y80 HydrophobicContact CZ-CG 3.86Å; F71-Y81 HydrophobicContact CE2-CD2 4.46Å; F71-Y81 AromaticContact CE2-CE2 3.6Å; F71-Y81 HydrophobicContact CE2-CE2 3.6Å; F71-Y81 HydrophobicContact CZ-CD2 4.21Å; F71-Y81 AromaticContact CZ-CE2 3.55Å; F71-Y81 HydrophobicContact CZ-CE2 3.55Å; F71-N282 HydrophobicContact CD1-CB 3.64Å; F71-N282 HydrophobicContact CE1-CB 3.66Å; F71-N282 WeakPolarHBondContact CE1-ND2 3.38Å; F71-N282 HydrophobicContact CG-CB 4.49Å; F71-N282 WeakPolarHBondContact CZ-ND2 3.29Å
72A90.1Very high89.1Confident0 Ų024.7 Ų24.70%013%0.133CC..SBendtrans-83.5-26.4177.700000112.2E76 I283 I464 G504 Q507A72-E76 WeakPolarHBondContact CA-OE2 3.46Å; A72-E76 WeakPolarHBondContact CB-OE2 3.47Å; A72-E76 PolarHBondContact N-OE2 3.29Å; A72-I283 HydrophobicContact CB-CG1 4.34Å; A72-I283 HydrophobicContact CB-CG2 4.16Å; A72-I464 HydrophobicContact CB-CD1 3.56Å; A72-G504 WeakPolarHBondContact O-CA 3.49Å; A72-Q507 PolarHBondContact O-NE2 2.73Å
73T88.4Confident89.2Confident6 Ų629.2 Ų29.24%0.03716%0.155CC..SBendtrans-138162.2173.3660000112.6A75 E76 L77 E259T73-A75 PolarHBondContact O-N 2.68Å; T73-A75 PolarHBondContact OG1-N 2.96Å; T73-E76 PolarHBondContact N-OE2 3.22Å; T73-E76 VanDerWaalsContact N-OE2 3.14Å; T73-E76 PolarHBondContact O-N 2.83Å; T73-E76 VanDerWaalsContact OG1-CG 3.26Å; T73-E76 WeakPolarHBondContact OG1-CG 3.25Å; T73-E76 PolarHBondContact OG1-N 2.76Å; T73-L77 PolarHBondContact O-N 2.94Å; T73-L77 VanDerWaalsContact O-N 3.16Å; T73-E259 HydrophobicContact CG2-CG 4.14Å; T73-E259 WeakPolarHBondContact CG2-OE1 3.38Å
74L86.7Confident89.1Confident1 Ų133.1 Ų33.11%0.00517%0.174CC..Hα-helixtrans-65.2-30.9169.8-69.8170.4000111.6W6 F7 F41 I56 Y63 L77 V78W6-L74 HydrophobicContact CH2-CB 3.89Å; W6-L74 HydrophobicContact CZ3-CB 4.32Å; F7-L74 HydrophobicContact CD2-CD1 4.29Å; F7-L74 HydrophobicContact CE2-CD1 3.94Å; F41-L74 HydrophobicContact CD1-CD1 4.01Å; F41-L74 HydrophobicContact CE1-CD1 4.07Å; F41-L74 HydrophobicContact CG-CD1 4.27Å; F41-L74 HydrophobicContact CZ-CD1 4.42Å; I56-L74 HydrophobicContact CD1-CD2 3.91Å; I56-L74 HydrophobicContact CG2-CD2 4.1Å; Y63-L74 HydrophobicContact CD1-CD1 4.48Å; Y63-L74 HydrophobicContact CD1-CD2 3.56Å; Y63-L74 HydrophobicContact CD1-CG 3.74Å; Y63-L74 HydrophobicContact CE1-CD1 3.91Å; Y63-L74 HydrophobicContact CE1-CD2 3.85Å; Y63-L74 HydrophobicContact CE1-CG 3.54Å; Y63-L74 HydrophobicContact CG-CD2 4.19Å; Y63-L74 HydrophobicContact CG-CG 4.33Å; L74-L77 HydrophobicContact CD2-CD1 4.48Å; L74-L77 PolarHBondContact O-N 3.47Å; L74-V78 WeakPolarHBondContact O-CG2 3.42Å; L74-V78 PolarHBondContact O-N 2.82Å
75A86.8Confident88.8Confident2 Ų236.2 Ų36.22%0.01719%0.187CC..Hα-helixtrans-64.7-42.4176.600000112.3W6 T73 Q79 E259 L263W6-A75 HydrophobicContact CZ2-CB 4.38Å; T73-A75 PolarHBondContact O-N 2.68Å; T73-A75 PolarHBondContact OG1-N 2.96Å; A75-Q79 VanDerWaalsContact O-CB 3.28Å; A75-Q79 WeakPolarHBondContact O-CB 3.43Å; A75-Q79 PolarHBondContact O-N 2.86Å; A75-E259 HydrophobicContact CB-CB 4.2Å; A75-L263 HydrophobicContact CB-CD2 4.17Å
76E86.9Confident88.4Confident4 Ų437.3 Ų37.32%0.01920%0.198CC..Hα-helixtrans-66.9-39.7174.3-70.4174.515400112.9F71 A72 T73 Q79 Y80 L263 R266 S503F71-E76 HydrophobicContact CD1-CB 4.32Å; A72-E76 WeakPolarHBondContact CA-OE2 3.46Å; A72-E76 WeakPolarHBondContact CB-OE2 3.47Å; A72-E76 PolarHBondContact N-OE2 3.29Å; T73-E76 PolarHBondContact N-OE2 3.22Å; T73-E76 VanDerWaalsContact N-OE2 3.14Å; T73-E76 PolarHBondContact O-N 2.83Å; T73-E76 VanDerWaalsContact OG1-CG 3.26Å; T73-E76 WeakPolarHBondContact OG1-CG 3.25Å; T73-E76 PolarHBondContact OG1-N 2.76Å; E76-Q79 PolarHBondContact O-N 3.19Å; E76-Y80 VanDerWaalsContact O-CB 3.31Å; E76-Y80 WeakPolarHBondContact O-CB 3.41Å; E76-Y80 PolarHBondContact O-N 3.33Å; E76-L263 HydrophobicContact CG-CD2 4.2Å; E76-R266 VanDerWaalsContact CG-NH1 3.31Å; E76-R266 IonicContact OE1-CZ 2.83Å; E76-R266 IonicContact OE1-NE 2.96Å; E76-R266 IonicContact OE1-NH1 3.18Å; E76-R266 PolarHBondContact OE1-NH1 3.1Å; E76-S503 VanDerWaalsContact CD-OG 3.23Å; E76-S503 WeakPolarHBondContact OE1-CB 3.27Å; E76-S503 PolarHBondContact OE1-OG 3.44Å
77L91.9Very high88.5Confident0 Ų036.1 Ų36.10%020%0.198CC..Hα-helixtrans-57.9-51.7175.8-177.7162.5000110.7L43 I56 L65 F71 T73 L74 Y80 Y81L43-L77 HydrophobicContact CD2-CD2 4.34Å; I56-L77 HydrophobicContact CD1-CD1 3.83Å; I56-L77 HydrophobicContact CD1-CD2 4.28Å; I56-L77 HydrophobicContact CG1-CD1 4.09Å; I56-L77 HydrophobicContact CG2-CD1 4.34Å; L65-L77 HydrophobicContact CB-CD1 4.19Å; L65-L77 HydrophobicContact CD2-CD2 4.34Å; F71-L77 HydrophobicContact CB-CB 4.03Å; F71-L77 HydrophobicContact CD1-CB 4.22Å; F71-L77 HydrophobicContact CD2-CB 3.68Å; F71-L77 HydrophobicContact CD2-CD1 3.89Å; F71-L77 HydrophobicContact CD2-CG 3.66Å; F71-L77 HydrophobicContact CE2-CB 4.19Å; F71-L77 HydrophobicContact CE2-CD1 4.39Å; F71-L77 HydrophobicContact CE2-CG 3.87Å; F71-L77 HydrophobicContact CG-CB 3.7Å; F71-L77 HydrophobicContact CG-CG 4.23Å; T73-L77 PolarHBondContact O-N 2.94Å; T73-L77 VanDerWaalsContact O-N 3.16Å; L74-L77 HydrophobicContact CD2-CD1 4.48Å; L74-L77 PolarHBondContact O-N 3.47Å; L77-Y80 PolarHBondContact O-N 3.49Å; L77-Y81 HydrophobicContact CD2-CD2 4.19Å; L77-Y81 HydrophobicContact CG-CD2 4.42Å; L77-Y81 HydrophobicContact CG-CE2 4.44Å; L77-Y81 VanDerWaalsContact O-CD2 3.28Å; L77-Y81 WeakPolarHBondContact O-CD2 3.47Å; L77-Y81 PolarHBondContact O-N 2.97Å
78V89.4Confident89Confident2 Ų233.5 Ų33.51%0.01217%0.17CC..Hα-helixtrans-65.5-43.6179.1170.80000111.1M1 W6 F29 L74 Y80 Y81 M82M1-V78 HydrophobicContact CE-CG1 3.84Å; W6-V78 HydrophobicContact CD2-CG1 4.33Å; W6-V78 HydrophobicContact CD2-CG2 4.23Å; W6-V78 HydrophobicContact CE3-CG2 3.91Å; W6-V78 HydrophobicContact CH2-CB 4.32Å; W6-V78 HydrophobicContact CH2-CG2 3.81Å; W6-V78 HydrophobicContact CZ2-CB 4.18Å; W6-V78 HydrophobicContact CZ2-CG2 4.13Å; W6-V78 HydrophobicContact CZ3-CG2 3.69Å; F29-V78 HydrophobicContact CE2-CG1 3.51Å; F29-V78 HydrophobicContact CE2-CG2 4.28Å; F29-V78 HydrophobicContact CZ-CG1 3.56Å; L74-V78 WeakPolarHBondContact O-CG2 3.42Å; L74-V78 PolarHBondContact O-N 2.82Å; V78-Y80 PolarHBondContact O-N 2.77Å; V78-Y81 PolarHBondContact O-N 2.94Å; V78-M82 HydrophobicContact CG1-CG 4.39Å; V78-M82 HydrophobicContact CG1-SD 4.17Å; V78-M82 WeakPolarHBondContact O-CB 3.4Å; V78-M82 WeakPolarHBondContact O-CG 3.32Å; V78-M82 PolarHBondContact O-N 2.65Å
79Q87.3Confident89.1Confident33 Ų3337.2 Ų37.215%0.15418%0.178CC..Hα-helixtrans-57.2-50.6176.5-178.7177.41000111.4A75 E76 Y81 M82 E83A75-Q79 VanDerWaalsContact O-CB 3.28Å; A75-Q79 WeakPolarHBondContact O-CB 3.43Å; A75-Q79 PolarHBondContact O-N 2.86Å; E76-Q79 PolarHBondContact O-N 3.19Å; Q79-Y81 PolarHBondContact O-N 2.68Å; Q79-M82 PolarHBondContact O-N 3.14Å; Q79-E83 VanDerWaalsContact CG-CD 3.45Å; Q79-E83 HydrophobicContact CG-CG 4.38Å; Q79-E83 WeakPolarHBondContact CG-OE1 3.5Å; Q79-E83 PolarHBondContact NE2-OE1 2.97Å; Q79-E83 WeakPolarHBondContact O-CB 3.29Å; Q79-E83 WeakPolarHBondContact O-CG 3.06Å; Q79-E83 PolarHBondContact O-N 3.46Å
80Y91.8Very high88.5Confident27 Ų2737 Ų3711%0.10618%0.177CC..Hα-helixtrans-57.5-48.1-177.9175.6-87.8000112F71 E76 L77 V78 E83 H84 Q87 K281F71-Y80 VanDerWaalsContact CE1-CB 3.48Å; F71-Y80 AromaticContact CE1-CD1 3.9Å; F71-Y80 HydrophobicContact CE1-CD1 3.9Å; F71-Y80 HydrophobicContact CE1-CD2 4.18Å; F71-Y80 AromaticContact CE1-CG 3.6Å; F71-Y80 HydrophobicContact CE1-CG 3.6Å; F71-Y80 AromaticContact CZ-CD1 3.63Å; F71-Y80 HydrophobicContact CZ-CD1 3.63Å; F71-Y80 HydrophobicContact CZ-CE1 4.27Å; F71-Y80 AromaticContact CZ-CG 3.86Å; F71-Y80 HydrophobicContact CZ-CG 3.86Å; E76-Y80 VanDerWaalsContact O-CB 3.31Å; E76-Y80 WeakPolarHBondContact O-CB 3.41Å; E76-Y80 PolarHBondContact O-N 3.33Å; L77-Y80 PolarHBondContact O-N 3.49Å; V78-Y80 PolarHBondContact O-N 2.77Å; Y80-E83 PolarHBondContact O-N 2.87Å; Y80-H84 AromaticContact CD2-CE1 3.88Å; Y80-H84 AromaticContact CD2-ND1 3.72Å; Y80-H84 HydrophobicContact CE1-CB 4.37Å; Y80-H84 AromaticContact CE2-ND1 3.95Å; Y80-H84 VanDerWaalsContact O-CB 3.31Å; Y80-H84 WeakPolarHBondContact O-CB 3.44Å; Y80-H84 PolarHBondContact O-N 3.48Å; Y80-H84 PolarHBondContact O-ND1 3.17Å; Y80-Q87 HydrophobicContact CE1-CB 4.47Å; Y80-K281 PolarHBondContact OH-NZ 3.28Å
81Y93.4Very high87.8Confident5 Ų543 Ų432%0.0220%0.203CC..Hα-helixtrans-78-17.7-177.9-71.4-64.4000114.6L65 G68 E69 F71 L77 V78 Q79 Q87 L88L65-Y81 HydrophobicContact CD2-CD2 3.9Å; L65-Y81 HydrophobicContact CD2-CE2 3.27Å; G68-Y81 WeakPolarHBondContact CA-OH 3.3Å; E69-Y81 PolarHBondContact N-OH 2.86Å; F71-Y81 HydrophobicContact CE2-CD2 4.46Å; F71-Y81 AromaticContact CE2-CE2 3.6Å; F71-Y81 HydrophobicContact CE2-CE2 3.6Å; F71-Y81 HydrophobicContact CZ-CD2 4.21Å; F71-Y81 AromaticContact CZ-CE2 3.55Å; F71-Y81 HydrophobicContact CZ-CE2 3.55Å; L77-Y81 HydrophobicContact CD2-CD2 4.19Å; L77-Y81 HydrophobicContact CG-CD2 4.42Å; L77-Y81 HydrophobicContact CG-CE2 4.44Å; L77-Y81 VanDerWaalsContact O-CD2 3.28Å; L77-Y81 WeakPolarHBondContact O-CD2 3.47Å; L77-Y81 PolarHBondContact O-N 2.97Å; V78-Y81 PolarHBondContact O-N 2.94Å; Q79-Y81 PolarHBondContact O-N 2.68Å; Y81-Q87 HydrophobicContact CD1-CB 4.21Å; Y81-Q87 HydrophobicContact CE1-CB 4Å; Y81-L88 HydrophobicContact CD1-CB 3.62Å; Y81-L88 HydrophobicContact CE1-CB 3.79Å; Y81-L88 HydrophobicContact CE1-CD1 4.36Å; Y81-L88 HydrophobicContact CG-CB 4.25Å; Y81-L88 HydrophobicContact CG-CD2 4.45Å
82M90.2Very high87.2Confident47 Ų4748 Ų4823%0.23223%0.23CC..Hα-helixtrans-76.3-31.3165.1-74.1-165.968.700112.7M1 F29 V78 Q79 H85 L98 K99M1-M82 HydrophobicContact CE-CE 4.35Å; M1-M82 HydrophobicContact CE-SD 3.22Å; M1-M82 WeakPolarHBondContact CE-SD 3.49Å; F29-M82 HydrophobicContact CE1-CE 4.33Å; F29-M82 HydrophobicContact CE1-CG 4.14Å; F29-M82 HydrophobicContact CE1-SD 3.62Å; F29-M82 HydrophobicContact CZ-CG 4.22Å; F29-M82 HydrophobicContact CZ-SD 3.52Å; F29-M82 VanDerWaalsContact CZ-SD 3.52Å; V78-M82 HydrophobicContact CG1-CG 4.39Å; V78-M82 HydrophobicContact CG1-SD 4.17Å; V78-M82 WeakPolarHBondContact O-CB 3.4Å; V78-M82 WeakPolarHBondContact O-CG 3.32Å; V78-M82 PolarHBondContact O-N 2.65Å; Q79-M82 PolarHBondContact O-N 3.14Å; M82-H85 PolarHBondContact O-CE1 3.07Å; M82-H85 PolarHBondContact O-ND1 3.45Å; M82-L98 HydrophobicContact CG-CB 3.68Å; M82-K99 VanDerWaalsContact CE-O 3.26Å; M82-K99 WeakPolarHBondContact CE-O 3.11Å
83E90.4Very high86.8Confident115 Ų11550 Ų5054%0.53725%0.251SS..Hα-helixtrans-86.4-23.2178.4-70.3168.8-177.900112.7Q79 Y80Q79-E83 VanDerWaalsContact CG-CD 3.45Å; Q79-E83 HydrophobicContact CG-CG 4.38Å; Q79-E83 WeakPolarHBondContact CG-OE1 3.5Å; Q79-E83 PolarHBondContact NE2-OE1 2.97Å; Q79-E83 WeakPolarHBondContact O-CB 3.29Å; Q79-E83 WeakPolarHBondContact O-CG 3.06Å; Q79-E83 PolarHBondContact O-N 3.46Å; Y80-E83 PolarHBondContact O-N 2.87Å
84H88.7Confident86.6Confident84 Ų8452.7 Ų52.739%0.38927%0.265SS..SBendtrans-121.673.1-175.4-56.876.3000111.9Y80 Q87Y80-H84 AromaticContact CD2-CE1 3.88Å; Y80-H84 AromaticContact CD2-ND1 3.72Å; Y80-H84 HydrophobicContact CE1-CB 4.37Å; Y80-H84 AromaticContact CE2-ND1 3.95Å; Y80-H84 VanDerWaalsContact O-CB 3.31Å; Y80-H84 WeakPolarHBondContact O-CB 3.44Å; Y80-H84 PolarHBondContact O-N 3.48Å; Y80-H84 PolarHBondContact O-ND1 3.17Å; H84-Q87 HydrophobicContact CB-CB 4.46Å; H84-Q87 HydrophobicContact CB-CG 3.81Å; H84-Q87 WeakPolarHBondContact O-CB 3.17Å; H84-Q87 WeakPolarHBondContact O-CG 3.48Å; H84-Q87 PolarHBondContact O-N 3.37Å
85H85.5Confident86.7Confident104 Ų10455.6 Ų55.648%0.48128%0.282SS..THydrogen-bonded Turntrans-55.7151.8173.2-53.9-29.4000112M82 Q87M82-H85 PolarHBondContact O-CE1 3.07Å; M82-H85 PolarHBondContact O-ND1 3.45Å; H85-Q87 PolarHBondContact O-N 2.75Å
86G82.9Confident86.9Confident25 Ų2555.8 Ų55.826%0.25828%0.283SS..THydrogen-bonded Turntrans78.5-10.8-178.400000116.2K89G86-K89 WeakPolarHBondContact O-CE 3.31Å
87Q87.2Confident87.1Confident105 Ų10559 Ų5949%0.49130%0.298SS..  trans-84-31.3-178.5-66.1-64.6-5400114.3Y80 Y81 H84 H85Y80-Q87 HydrophobicContact CE1-CB 4.47Å; Y81-Q87 HydrophobicContact CD1-CB 4.21Å; Y81-Q87 HydrophobicContact CE1-CB 4Å; H84-Q87 HydrophobicContact CB-CB 4.46Å; H84-Q87 HydrophobicContact CB-CG 3.81Å; H84-Q87 WeakPolarHBondContact O-CB 3.17Å; H84-Q87 WeakPolarHBondContact O-CG 3.48Å; H84-Q87 PolarHBondContact O-N 3.37Å; H85-Q87 PolarHBondContact O-N 2.75Å
88L88.3Confident87.2Confident3 Ų359.1 Ų59.12%0.01630%0.299CS..  trans-87.6127.1177.4-175.855.6000109.8L43 I54 L65 Y81 I96 L98L43-L88 HydrophobicContact CD2-CD2 4.29Å; I54-L88 HydrophobicContact CD1-CD1 4.45Å; I54-L88 HydrophobicContact CD1-CD2 3.83Å; I54-L88 HydrophobicContact CD1-CG 4.35Å; L65-L88 HydrophobicContact CD2-CD1 3.5Å; L65-L88 VanDerWaalsContact CD2-CD1 3.5Å; L65-L88 HydrophobicContact CD2-CD2 4.39Å; L65-L88 HydrophobicContact CG-CD1 4.29Å; Y81-L88 HydrophobicContact CD1-CB 3.62Å; Y81-L88 HydrophobicContact CE1-CB 3.79Å; Y81-L88 HydrophobicContact CE1-CD1 4.36Å; Y81-L88 HydrophobicContact CG-CB 4.25Å; Y81-L88 HydrophobicContact CG-CD2 4.45Å; L88-I96 HydrophobicContact CB-CB 4.49Å; L88-I96 HydrophobicContact CD2-CB 4.15Å; L88-I96 HydrophobicContact CD2-CG2 4.36Å; L88-I96 HydrophobicContact CG-CB 4.01Å; L88-I96 HydrophobicContact CG-CD1 4.21Å; L88-I96 HydrophobicContact CG-CG1 4.47Å; L88-I96 PolarHBondContact O-N 3.42Å; L88-L98 HydrophobicContact CD2-CD2 4.47Å
89K86Confident87.3Confident104 Ų10462.7 Ų62.745%0.45231%0.314SS..BIsolated β-bridgetrans-139.4151-174.5-60.4-172.9179.6-169.90113.8G86 D94 V95G86-K89 WeakPolarHBondContact O-CE 3.31Å; K89-D94 CarbonylContact C-O 3.52Å; K89-D94 WeakPolarHBondContact CA-O 3.45Å; K89-D94 WeakPolarHBondContact CB-O 3.41Å; K89-V95 HydrophobicContact CG-CG2 4.43Å
90E79.4Confident87.4Confident56 Ų5667.1 Ų67.126%0.26233%0.33SS..  trans-82171.4167.5-70.4-168.2-163.600112.2R47 T52 N92 G93 D94 I96R47-E90 IonicContact CZ-OE1 3.13Å; R47-E90 VanDerWaalsContact CZ-OE1 3.22Å; R47-E90 IonicContact CZ-OE2 3.67Å; R47-E90 IonicContact NE-OE1 3.6Å; R47-E90 PolarHBondContact NE-OE1 2.67Å; R47-E90 IonicContact NH2-OE1 2.99Å; R47-E90 PolarHBondContact NH2-OE1 2.86Å; R47-E90 IonicContact NH2-OE2 2.73Å; R47-E90 PolarHBondContact NH2-OE2 3.43Å; T52-E90 WeakPolarHBondContact CB-OE1 3.47Å; T52-E90 HydrophobicContact CG2-CG 4.46Å; T52-E90 WeakPolarHBondContact CG2-OE1 3.37Å; T52-E90 PolarHBondContact OG1-OE1 2.77Å; E90-N92 WeakPolarHBondContact CB-OD1 3.39Å; E90-N92 PolarHBondContact O-N 3.25Å; E90-G93 PolarHBondContact O-N 2.93Å; E90-D94 HydrophobicContact CB-CB 4.42Å; E90-D94 PolarHBondContact N-O 3.35Å; E90-I96 HydrophobicContact CG-CD1 3.58Å; E90-I96 HydrophobicContact CG-CG1 3.94Å
91K78.4Confident87.2Confident179 Ų17968 Ų6878%0.77834%0.339SS*.THydrogen-bonded Turntrans-60.5-24.6-179.7-68.9-172.6179.5-176.30114.4Y66 G93Y66-K91 WeakPolarHBondContact OH-CE 3.43Å; Y66-K91 PolarHBondContact OH-NZ 3.4Å; K91-G93 VanDerWaalsContact C-N 3.32Å
92N81.3Confident86.9Confident107 Ų10768.5 Ų68.557%0.57234%0.342SS*.THydrogen-bonded Turntrans-83.1-7.8176.166-11.8000113.1E90 D94E90-N92 WeakPolarHBondContact CB-OD1 3.39Å; E90-N92 PolarHBondContact O-N 3.25Å; N92-D94 PolarHBondContact ND2-OD1 3.12Å; N92-D94 PolarHBondContact ND2-OD2 2.76Å; N92-D94 VanDerWaalsContact OD1-CB 3.32Å; N92-D94 WeakPolarHBondContact OD1-CB 3.37Å; N92-D94 PolarHBondContact OD1-N 2.93Å
93G81.3Confident86.5Confident42 Ų4269.9 Ų69.943%0.43335%0.35SS..SBendtrans96.6-5.8-176.500000115.3E90 K91E90-G93 PolarHBondContact O-N 2.93Å; K91-G93 VanDerWaalsContact C-N 3.32Å
94D85.3Confident85.8Confident61 Ų6165.3 Ų65.333%0.32633%0.331SS..  trans-56.2137.4176.2-75.2-9.1000111R47 K89 E90 N92R47-D94 IonicContact CZ-OD2 2.6Å; R47-D94 VanDerWaalsContact CZ-OD2 3.29Å; R47-D94 IonicContact NH1-OD2 2.79Å; R47-D94 PolarHBondContact NH1-OD2 2.81Å; R47-D94 IonicContact NH2-OD2 3.69Å; R47-D94 PolarHBondContact NH2-OD2 2.89Å; K89-D94 CarbonylContact C-O 3.52Å; K89-D94 WeakPolarHBondContact CA-O 3.45Å; K89-D94 WeakPolarHBondContact CB-O 3.41Å; E90-D94 HydrophobicContact CB-CB 4.42Å; E90-D94 PolarHBondContact N-O 3.35Å; N92-D94 PolarHBondContact ND2-OD1 3.12Å; N92-D94 PolarHBondContact ND2-OD2 2.76Å; N92-D94 VanDerWaalsContact OD1-CB 3.32Å; N92-D94 WeakPolarHBondContact OD1-CB 3.37Å; N92-D94 PolarHBondContact OD1-N 2.93Å
95V88.4Confident84.8Confident62 Ų6263.1 Ų63.138%0.37633%0.327SS..BIsolated β-bridgetrans-77.2137.8171.3173.50000110.3K89 E97K89-V95 HydrophobicContact CG-CG2 4.43Å; V95-E97 HydrophobicContact CG1-CG 3.81Å
96I90.3Very high83.8Confident7 Ų760.3 Ų60.34%0.03632%0.316CS..  trans-111123.1169.4-44.5175.8000107.9V45 T52 I54 L88 E90V45-I96 HydrophobicContact CB-CG2 3.89Å; V45-I96 HydrophobicContact CG1-CG2 3.72Å; V45-I96 HydrophobicContact CG2-CG2 3.98Å; T52-I96 HydrophobicContact CG2-CD1 4.32Å; I54-I96 HydrophobicContact CD1-CD1 3.47Å; I54-I96 VanDerWaalsContact CD1-CD1 3.47Å; I54-I96 HydrophobicContact CD1-CG2 4.39Å; I54-I96 HydrophobicContact CG1-CD1 4.05Å; L88-I96 HydrophobicContact CB-CB 4.49Å; L88-I96 HydrophobicContact CD2-CB 4.15Å; L88-I96 HydrophobicContact CD2-CG2 4.36Å; L88-I96 HydrophobicContact CG-CB 4.01Å; L88-I96 HydrophobicContact CG-CD1 4.21Å; L88-I96 HydrophobicContact CG-CG1 4.47Å; L88-I96 PolarHBondContact O-N 3.42Å; E90-I96 HydrophobicContact CG-CD1 3.58Å; E90-I96 HydrophobicContact CG-CG1 3.94Å
97E91.9Very high82.8Confident72 Ų7259.7 Ų59.734%0.33631%0.308SS..  trans-106.6126.5-177.5-59.6-172.7114.900111.5V95 K99V95-E97 HydrophobicContact CG1-CG 3.81Å; E97-K99 HydrophobicContact CB-CD 4.43Å; E97-K99 HydrophobicContact CB-CG 4.34Å; E97-K99 IonicContact OE1-NZ 2.68Å; E97-K99 WeakPolarHBondContact OE2-CE 3.37Å; E97-K99 IonicContact OE2-NZ 2.76Å; E97-K99 PolarHBondContact OE2-NZ 3.38Å
98L93.1Very high81.5Confident1 Ų156 Ų561%0.00529%0.292CS..  trans-92108.9169.8-54.3-168.5000108.5F29 L43 V45 M82 L88F29-L98 HydrophobicContact CB-CD2 3.89Å; F29-L98 HydrophobicContact CD1-CB 3.84Å; F29-L98 HydrophobicContact CD1-CD2 4.18Å; F29-L98 HydrophobicContact CD1-CG 4.47Å; F29-L98 HydrophobicContact CD2-CD2 4.49Å; F29-L98 HydrophobicContact CE1-CB 3.95Å; F29-L98 HydrophobicContact CG-CB 4.39Å; F29-L98 HydrophobicContact CG-CD2 3.93Å; L43-L98 HydrophobicContact CD1-CD2 4.47Å; L43-L98 HydrophobicContact CD2-CD1 4.13Å; L43-L98 HydrophobicContact CD2-CD2 4.26Å; V45-L98 HydrophobicContact CB-CD2 4.48Å; V45-L98 HydrophobicContact CG1-CD2 4.04Å; V45-L98 HydrophobicContact CG2-CD2 3.56Å; M82-L98 HydrophobicContact CG-CB 3.68Å; L88-L98 HydrophobicContact CD2-CD2 4.47Å
99K91.8Very high80.2Confident77 Ų7756.1 Ų56.134%0.33529%0.293SS..  trans-116.8-49.8-178.2-69.5173.6168.5162.90112.5G27 M82 E97G27-K99 PolarHBondContact O-N 3.1Å; M82-K99 VanDerWaalsContact CE-O 3.26Å; M82-K99 WeakPolarHBondContact CE-O 3.11Å; E97-K99 HydrophobicContact CB-CD 4.43Å; E97-K99 HydrophobicContact CB-CG 4.34Å; E97-K99 IonicContact OE1-NZ 2.68Å; E97-K99 WeakPolarHBondContact OE2-CE 3.37Å; E97-K99 IonicContact OE2-NZ 2.76Å; E97-K99 PolarHBondContact OE2-NZ 3.38Å
100Y89.8Confident79.4Confident126 Ų12652.7 Ų52.749%0.49428%0.279SS..EExtended strand (participates in β ladder)trans-124104.1-167.6-48.5-65.7000111.5V25 G27 S28 F29 L102V25-Y100 HydrophobicContact CG2-CD2 3.5Å; V25-Y100 VanDerWaalsContact CG2-CD2 3.5Å; V25-Y100 HydrophobicContact CG2-CE2 3.75Å; V25-Y100 HydrophobicContact CG2-CG 4.33Å; G27-Y100 PolarHBondContact O-N 3.11Å; S28-Y100 CarbonylContact C-O 3.55Å; S28-Y100 WeakPolarHBondContact CA-O 3.36Å; F29-Y100 PolarHBondContact N-O 3.37Å; Y100-L102 PolarHBondContact O-N 3.31Å; Y100-L102 VanDerWaalsContact O-N 3.13Å
101P87.6Confident79Confident45 Ų4553.3 Ų53.329%0.29228%0.279SS..EExtended strand (participates in β ladder)trans-63.5114.6175.523.7-31.8000110.5W6 F29 N103W6-P101 HydrophobicContact CB-CB 3.73Å; W6-P101 HydrophobicContact CG-CB 4.31Å; F29-P101 HydrophobicContact CE1-CB 4.13Å; F29-P101 HydrophobicContact CE2-CB 4.41Å; F29-P101 HydrophobicContact CZ-CB 3.8Å; P101-N103 PolarHBondContact O-N 2.93Å
102L87.1Confident79.2Confident17 Ų1744.9 Ų44.99%0.08924%0.242CC..  trans-77102.5173.6-163.690.6000108.2H8 L19 L20 R23 F29 L30 Y100H8-L102 PolarHBondContact NE2-O 2.85Å; L19-L102 HydrophobicContact CB-CD2 3.86Å; L20-L102 HydrophobicContact CD2-CB 4.18Å; L20-L102 HydrophobicContact CD2-CD2 4.13Å; L20-L102 HydrophobicContact CG-CD2 4.45Å; R23-L102 HydrophobicContact CB-CD1 4.19Å; F29-L102 WeakPolarHBondContact O-CB 3.25Å; F29-L102 PolarHBondContact O-N 2.83Å; L30-L102 HydrophobicContact CB-CB 4.46Å; L30-L102 HydrophobicContact CD2-CD2 3.93Å; Y100-L102 PolarHBondContact O-N 3.31Å; Y100-L102 VanDerWaalsContact O-N 3.13Å
103N81.7Confident79.1Confident75 Ų7541 Ų4140%0.40122%0.22SC..  trans-69.6139.8-173.6-68.7-41.8000112.7R5 P101R5-N103 HydrophobicContact CB-CB 4.01Å; R5-N103 VanDerWaalsContact CB-OD1 3.22Å; R5-N103 WeakPolarHBondContact CB-OD1 3.05Å; R5-N103 CarbonylContact O-C 3.48Å; R5-N103 WeakPolarHBondContact O-CA 3.2Å; P101-N103 PolarHBondContact O-N 2.93Å
104C75.3Confident78.8Confident20 Ų2041 Ų4114%0.13521%0.209CC..  trans-79.5145.7168.4-156.20000110.3R5 H8 D106R5-C104 WeakPolarHBondContact O-CB 3.31Å; R5-C104 PolarHBondContact O-N 3.5Å; H8-C104 HydrophobicContact CB-CB 4.48Å; H8-C104 VanDerWaalsContact CE1-CA 3.45Å; H8-C104 WeakPolarHBondContact CE1-CA 3.47Å; H8-C104 VanDerWaalsContact CG-SG 3.57Å; H8-C104 PolarHBondContact ND1-SG 2.94Å; H8-C104 PolarHBondContact NE2-N 3.15Å; C104-D106 WeakPolarHBondContact SG-CB 3.3Å
105A67.8Low78.2Confident37 Ų3738.7 Ų38.731%0.30620%0.2SC..  trans-108.42.2171.600000112.3P107A105-P107 WeakPolarHBondContact O-CD 3.36Å
106D64.4Low77.2Confident46 Ų4642.2 Ų42.225%0.24621%0.212CC..  trans-72117.2-178.2-170.6-17.2000110.8P9 N10 C104 T108P9-D106 HydrophobicContact CG-CB 4.43Å; N10-D106 PolarHBondContact ND2-OD2 2.88Å; C104-D106 WeakPolarHBondContact SG-CB 3.3Å; D106-T108 VanDerWaalsContact C-N 3.33Å; D106-T108 PolarHBondContact O-N 3.36Å; D106-T108 WeakPolarHBondContact OD1-CB 3.32Å; D106-T108 WeakPolarHBondContact OD1-CG2 3.49Å; D106-T108 PolarHBondContact OD1-N 3.3Å; D106-T108 PolarHBondContact OD1-OG1 2.91Å
107P62.2Low76.4Confident12 Ų1243 Ų438%0.07822%0.216CC..  trans-79.2-9.3-176.736.3-40.6000113.7A105 S109 E110 W112 F113 L191A105-P107 WeakPolarHBondContact O-CD 3.36Å; P107-S109 PolarHBondContact O-N 3.35Å; P107-E110 WeakPolarHBondContact O-CB 3.29Å; P107-E110 PolarHBondContact O-N 2.99Å; P107-W112 HydrophobicContact CB-CH2 4.38Å; P107-F113 HydrophobicContact CB-CB 4.36Å; P107-F113 HydrophobicContact CB-CD1 4.46Å; P107-F113 HydrophobicContact CB-CD2 3.64Å; P107-F113 HydrophobicContact CB-CE2 3.98Å; P107-F113 HydrophobicContact CB-CG 3.9Å; P107-F113 HydrophobicContact CG-CD1 4.44Å; P107-F113 HydrophobicContact CG-CD2 3.81Å; P107-F113 HydrophobicContact CG-CE1 4.24Å; P107-F113 HydrophobicContact CG-CE2 3.59Å; P107-F113 HydrophobicContact CG-CG 4.22Å; P107-F113 HydrophobicContact CG-CZ 3.82Å; P107-F113 VanDerWaalsContact O-CB 3.31Å; P107-F113 WeakPolarHBondContact O-CB 3.34Å; P107-L191 HydrophobicContact CB-CB 4.29Å; P107-L191 HydrophobicContact CB-CD1 4.07Å; P107-L191 HydrophobicContact CG-CD1 3.94Å
108T60.9Low75.8Confident27 Ų2740.5 Ų40.517%0.16621%0.206CC..THydrogen-bonded Turntrans-64.9-4.1-16465.30000116.3N10 D106 F113N10-T108 PolarHBondContact ND2-OG1 2.83Å; N10-T108 VanDerWaalsContact ND2-OG1 3.08Å; D106-T108 VanDerWaalsContact C-N 3.33Å; D106-T108 PolarHBondContact O-N 3.36Å; D106-T108 WeakPolarHBondContact OD1-CB 3.32Å; D106-T108 WeakPolarHBondContact OD1-CG2 3.49Å; D106-T108 PolarHBondContact OD1-N 3.3Å; D106-T108 PolarHBondContact OD1-OG1 2.91Å; T108-F113 HydrophobicContact CG2-CE1 3.99Å
109S59.1Low75.3Confident5 Ų541.1 Ų41.14%0.03521%0.213CC..THydrogen-bonded Turntrans-120.712.7178.144.10000113.9P107 T254 Q257P107-S109 PolarHBondContact O-N 3.35Å; S109-T254 WeakPolarHBondContact O-CA 3.35Å; S109-T254 PolarHBondContact O-OG1 2.93Å; S109-Q257 WeakPolarHBondContact O-CG 3.02Å; S109-Q257 PolarHBondContact O-NE2 2.97Å; S109-Q257 PolarHBondContact O-OE1 3.04Å; S109-Q257 PolarHBondContact OG-NE2 3.48Å
110E70.8Confident75.1Confident33 Ų3347.2 Ų47.215%0.15423%0.234CC..SBendtrans-84.4134.1171.4-76.4-87.8-165.700111.3P107 W112 F113 T192P107-E110 WeakPolarHBondContact O-CB 3.29Å; P107-E110 PolarHBondContact O-N 2.99Å; E110-W112 HydrophobicContact CB-CD2 4.08Å; E110-W112 HydrophobicContact CB-CG 4.46Å; E110-W112 HydrophobicContact CB-CH2 4.31Å; E110-W112 HydrophobicContact CB-CZ2 3.67Å; E110-W112 VanDerWaalsContact CD-NE1 3.35Å; E110-W112 HydrophobicContact CG-CH2 4.29Å; E110-W112 HydrophobicContact CG-CZ2 3.52Å; E110-W112 PolarHBondContact O-N 3.07Å; E110-W112 PolarHBondContact OE2-NE1 3.2Å; E110-F113 HydrophobicContact CB-CB 4.25Å; E110-F113 PolarHBondContact O-N 2.9Å; E110-T192 WeakPolarHBondContact OE1-CG2 3.46Å; E110-T192 PolarHBondContact OE1-OG1 3.47Å
111R70.6Confident74.5Confident69 Ų6944.8 Ų44.826%0.2623%0.229SC..THydrogen-bonded Turntrans-59.7-15-177.3-68.9-164.382.8172.48.7115.6P216 N218 T220 T254R111-P216 HydrophobicContact CB-CB 4.19Å; R111-N218 PolarHBondContact NE-OD1 3.34Å; R111-N218 PolarHBondContact NH2-OD1 3.11Å; R111-T220 PolarHBondContact NH2-OG1 3.39Å; R111-T220 VanDerWaalsContact NH2-OG1 3.08Å; R111-T254 HydrophobicContact CB-CG2 4.3Å; R111-T254 HydrophobicContact CG-CG2 3.48Å; R111-T254 VanDerWaalsContact CG-CG2 3.48Å
112W82Confident74.4Confident2 Ų242.7 Ų42.71%0.00822%0.216CC..THydrogen-bonded Turntrans-100.7-4177.749.7-92.4000112.6P107 E110 H114 F135 L136 V137 L191 V195 P216P107-W112 HydrophobicContact CB-CH2 4.38Å; E110-W112 HydrophobicContact CB-CD2 4.08Å; E110-W112 HydrophobicContact CB-CG 4.46Å; E110-W112 HydrophobicContact CB-CH2 4.31Å; E110-W112 HydrophobicContact CB-CZ2 3.67Å; E110-W112 VanDerWaalsContact CD-NE1 3.35Å; E110-W112 HydrophobicContact CG-CH2 4.29Å; E110-W112 HydrophobicContact CG-CZ2 3.52Å; E110-W112 PolarHBondContact O-N 3.07Å; E110-W112 PolarHBondContact OE2-NE1 3.2Å; W112-H114 PolarHBondContact O-CD2 3.23Å; W112-F135 HydrophobicContact CB-CD2 4.04Å; W112-F135 HydrophobicContact CB-CE2 3.41Å; W112-F135 VanDerWaalsContact CB-CE2 3.41Å; W112-F135 HydrophobicContact CB-CZ 3.96Å; W112-F135 HydrophobicContact CD2-CE2 4.19Å; W112-F135 AromaticContact CG-CE2 3.6Å; W112-F135 HydrophobicContact CG-CE2 3.6Å; W112-F135 HydrophobicContact CG-CZ 4.09Å; W112-L136 CarbonylContact O-C 3.58Å; W112-L136 VanDerWaalsContact O-CA 3.23Å; W112-L136 WeakPolarHBondContact O-CA 3.49Å; W112-V137 HydrophobicContact CE3-CB 3.68Å; W112-V137 HydrophobicContact CE3-CG2 3.46Å; W112-V137 VanDerWaalsContact CE3-CG2 3.46Å; W112-V137 HydrophobicContact CZ3-CB 3.72Å; W112-V137 HydrophobicContact CZ3-CG1 4.35Å; W112-V137 HydrophobicContact CZ3-CG2 3.6Å; W112-V137 PolarHBondContact O-N 3.04Å; W112-L191 HydrophobicContact CH2-CB 3.9Å; W112-L191 HydrophobicContact CZ3-CB 4.32Å; W112-V195 HydrophobicContact CD2-CG1 4.18Å; W112-V195 HydrophobicContact CD2-CG2 4.28Å; W112-V195 HydrophobicContact CE3-CG2 4.02Å; W112-V195 HydrophobicContact CH2-CB 4.34Å; W112-V195 HydrophobicContact CH2-CG2 3.89Å; W112-V195 HydrophobicContact CZ2-CB 4.12Å; W112-V195 HydrophobicContact CZ2-CG1 4.3Å; W112-V195 HydrophobicContact CZ2-CG2 4.13Å; W112-V195 HydrophobicContact CZ3-CG2 3.83Å; W112-P216 HydrophobicContact CB-CB 3.89Å; W112-P216 HydrophobicContact CB-CG 4.15Å
113F80.5Confident74.6Confident24 Ų2445.9 Ų45.911%0.10523%0.23CC..BIsolated β-bridgetrans-96.3124177.7-173.8-93.5000110.6P107 T108 E110 G115 V137 F147 L191P107-F113 HydrophobicContact CB-CB 4.36Å; P107-F113 HydrophobicContact CB-CD1 4.46Å; P107-F113 HydrophobicContact CB-CD2 3.64Å; P107-F113 HydrophobicContact CB-CE2 3.98Å; P107-F113 HydrophobicContact CB-CG 3.9Å; P107-F113 HydrophobicContact CG-CD1 4.44Å; P107-F113 HydrophobicContact CG-CD2 3.81Å; P107-F113 HydrophobicContact CG-CE1 4.24Å; P107-F113 HydrophobicContact CG-CE2 3.59Å; P107-F113 HydrophobicContact CG-CG 4.22Å; P107-F113 HydrophobicContact CG-CZ 3.82Å; P107-F113 VanDerWaalsContact O-CB 3.31Å; P107-F113 WeakPolarHBondContact O-CB 3.34Å; T108-F113 HydrophobicContact CG2-CE1 3.99Å; E110-F113 HydrophobicContact CB-CB 4.25Å; E110-F113 PolarHBondContact O-N 2.9Å; F113-G115 VanDerWaalsContact CE1-CA 3.41Å; F113-V137 WeakPolarHBondContact CA-O 3.15Å; F113-V137 HydrophobicContact CD2-CB 4.36Å; F113-V137 HydrophobicContact CD2-CG1 4.29Å; F113-F147 AromaticContact CE2-CD1 3.78Å; F113-F147 HydrophobicContact CE2-CD1 3.78Å; F113-F147 AromaticContact CE2-CE1 3.73Å; F113-F147 HydrophobicContact CE2-CE1 3.73Å; F113-F147 HydrophobicContact CZ-CD1 4.33Å; F113-F147 AromaticContact CZ-CE1 3.91Å; F113-F147 HydrophobicContact CZ-CE1 3.91Å; F113-L191 HydrophobicContact CD2-CD1 4.38Å; F113-L191 HydrophobicContact CE2-CD1 4.1Å
114H74.1Confident74.8Confident43 Ų4347.7 Ų47.720%0.19924%0.235CC..  trans-115.710.4-174.2-69.8-123.1000112.7W112 H116 L117 V137 L217 T219W112-H114 PolarHBondContact O-CD2 3.23Å; H114-H116 PolarHBondContact O-N 2.89Å; H114-L117 HydrophobicContact CB-CB 4.22Å; H114-L117 HydrophobicContact CB-CD2 3.86Å; H114-V137 PolarHBondContact N-O 2.97Å; H114-L217 PolarHBondContact NE2-O 3.39Å; H114-T219 WeakPolarHBondContact NE2-CB 3.47Å; H114-T219 WeakPolarHBondContact NE2-CG2 3.11Å; H114-T219 PolarHBondContact NE2-OG1 3.33Å; H114-T219 VanDerWaalsContact NE2-OG1 3.1Å
115G72.6Confident75.1Confident13 Ų1348.5 Ų48.513%0.13424%0.237CC..SBendtrans54.8-128.2176.500000112.8F113 L117 R138 E139F113-G115 VanDerWaalsContact CE1-CA 3.41Å; G115-L117 VanDerWaalsContact C-N 3.3Å; G115-L117 PolarHBondContact O-N 3.31Å; G115-R138 CarbonylContact O-C 3.5Å; G115-R138 WeakPolarHBondContact O-CA 3.01Å; G115-E139 PolarHBondContact O-N 2.85Å
116H67.7Low76.1Confident136 Ų13646.7 Ų46.763%0.6322%0.222SC*.SBendtrans-78.971.4-176-154.983000113.1H114 E139H114-H116 PolarHBondContact O-N 2.89Å; H116-E139 IonicContact CE1-OE2 2.82Å; H116-E139 IonicContact CG-OE2 3.41Å; H116-E139 IonicContact ND1-OE2 3.58Å; H116-E139 PolarHBondContact ND1-OE2 3.04Å
117L73.7Confident77.2Confident23 Ų2348.4 Ų48.412%0.1224%0.235CC..  trans-109.2136.1177.2-174.167000110.7H114 G115 D121 A122 L125 L136 R138H114-L117 HydrophobicContact CB-CB 4.22Å; H114-L117 HydrophobicContact CB-CD2 3.86Å; G115-L117 VanDerWaalsContact C-N 3.3Å; G115-L117 PolarHBondContact O-N 3.31Å; L117-D121 HydrophobicContact CD1-CB 3.61Å; L117-D121 HydrophobicContact CG-CB 4.32Å; L117-A122 HydrophobicContact CD2-CB 3.83Å; L117-A122 HydrophobicContact CG-CB 4.25Å; L117-L125 HydrophobicContact CD1-CD1 4.01Å; L117-L125 HydrophobicContact CD2-CD1 4.1Å; L117-L136 HydrophobicContact CD2-CD1 3.97Å; L117-L136 HydrophobicContact CD2-CD2 3.91Å; L117-R138 HydrophobicContact CB-CB 3.89Å; L117-R138 WeakPolarHBondContact O-CD 3.48Å; L117-R138 PolarHBondContact O-NH1 2.87Å
118S78.5Confident78.2Confident20 Ų2053.6 Ų53.614%0.1426%0.258CS..  trans-73.2162.1177.491.90000112.4R120 D121 A122 Q141S118-R120 PolarHBondContact OG-N 3.01Å; S118-D121 VanDerWaalsContact CB-OD2 3.28Å; S118-D121 WeakPolarHBondContact CB-OD2 3.35Å; S118-D121 PolarHBondContact O-N 2.88Å; S118-D121 PolarHBondContact OG-N 3.34Å; S118-D121 PolarHBondContact OG-OD2 3.07Å; S118-A122 VanDerWaalsContact O-CB 3.3Å; S118-A122 WeakPolarHBondContact O-CB 3.4Å; S118-A122 PolarHBondContact O-N 2.85Å; S118-Q141 VanDerWaalsContact CA-OE1 3.27Å; S118-Q141 VanDerWaalsContact CB-OE1 3.29Å
119G82.8Confident79.1Confident14 Ų1456.6 Ų56.614%0.14427%0.268CS..Hα-helixtrans-58.8-48.2172.500000112.2D121 A122 E123 R138G119-D121 PolarHBondContact O-N 3.41Å; G119-A122 WeakPolarHBondContact O-CB 3.1Å; G119-A122 PolarHBondContact O-N 3.36Å; G119-E123 WeakPolarHBondContact O-CG 3.39Å; G119-E123 PolarHBondContact O-N 2.95Å; G119-R138 VanDerWaalsContact CA-CZ 3.45Å; G119-R138 VanDerWaalsContact CA-NH2 3.31Å
120R87.8Confident80.2Confident204 Ų20456.7 Ų56.777%0.7727%0.271SS*.Hα-helixtrans-63.6-38-179.4-171.4-179.5-175.9-175.31.2112.9S118 K124S118-R120 PolarHBondContact OG-N 3.01Å; R120-K124 WeakPolarHBondContact O-CB 3.37Å; R120-K124 PolarHBondContact O-N 3.1Å
121D78.1Confident81Confident76 Ų7662.2 Ų62.241%0.40629%0.294SS..Hα-helixtrans-75-33.6177.8-59.5-53.3000111.4L117 S118 G119 K124 L125L117-D121 HydrophobicContact CD1-CB 3.61Å; L117-D121 HydrophobicContact CG-CB 4.32Å; S118-D121 VanDerWaalsContact CB-OD2 3.28Å; S118-D121 WeakPolarHBondContact CB-OD2 3.35Å; S118-D121 PolarHBondContact O-N 2.88Å; S118-D121 PolarHBondContact OG-N 3.34Å; S118-D121 PolarHBondContact OG-OD2 3.07Å; G119-D121 PolarHBondContact O-N 3.41Å; D121-K124 PolarHBondContact O-N 3.25Å; D121-L125 VanDerWaalsContact O-CB 3.3Å; D121-L125 WeakPolarHBondContact O-CB 3.41Å; D121-L125 VanDerWaalsContact O-CG 3.24Å; D121-L125 WeakPolarHBondContact O-CG 3.41Å; D121-L125 PolarHBondContact O-N 3.26Å
122A84.4Confident81.9Confident0 Ų060.5 Ų60.50%029%0.29CS..Hα-helixtrans-65.3-43.8170.300000112.3L117 S118 G119 L126 L136L117-A122 HydrophobicContact CD2-CB 3.83Å; L117-A122 HydrophobicContact CG-CB 4.25Å; S118-A122 VanDerWaalsContact O-CB 3.3Å; S118-A122 WeakPolarHBondContact O-CB 3.4Å; S118-A122 PolarHBondContact O-N 2.85Å; G119-A122 WeakPolarHBondContact O-CB 3.1Å; G119-A122 PolarHBondContact O-N 3.36Å; A122-L126 VanDerWaalsContact O-CB 3.22Å; A122-L126 WeakPolarHBondContact O-CB 3.07Å; A122-L126 VanDerWaalsContact O-CG 3.29Å; A122-L126 WeakPolarHBondContact O-CG 3.47Å; A122-L126 PolarHBondContact O-N 2.95Å; A122-L136 HydrophobicContact CB-CD1 4Å; A122-L136 HydrophobicContact CB-CD2 4.27Å
123E91.9Very high82.2Confident85 Ų8560.4 Ų60.440%0.39729%0.29SS..Hα-helixtrans-57.8-49.3172.1-73.3174.9161.600111.1G119 L126 T127 V167 H169G119-E123 WeakPolarHBondContact O-CG 3.39Å; G119-E123 PolarHBondContact O-N 2.95Å; E123-L126 PolarHBondContact O-N 3.48Å; E123-T127 VanDerWaalsContact O-CB 3.28Å; E123-T127 WeakPolarHBondContact O-CB 3.47Å; E123-T127 PolarHBondContact O-N 2.96Å; E123-T127 PolarHBondContact O-OG1 3.39Å; E123-V167 HydrophobicContact CG-CB 4.17Å; E123-V167 HydrophobicContact CG-CG1 4.08Å; E123-H169 IonicContact OE1-NE2 2.71Å
124K85.9Confident82.7Confident113 Ų11359.5 Ų59.549%0.49129%0.287SS..Hα-helixtrans-57.4-55.8177.6-177.1-175175.1-170.30111.3R120 D121 L126 T127 E128R120-K124 WeakPolarHBondContact O-CB 3.37Å; R120-K124 PolarHBondContact O-N 3.1Å; D121-K124 PolarHBondContact O-N 3.25Å; K124-L126 PolarHBondContact O-N 2.93Å; K124-T127 PolarHBondContact O-N 3.08Å; K124-T127 VanDerWaalsContact O-N 3.09Å; K124-E128 WeakPolarHBondContact CE-OE1 3.46Å; K124-E128 VanDerWaalsContact CE-OE2 3.23Å; K124-E128 WeakPolarHBondContact CE-OE2 3.12Å; K124-E128 HydrophobicContact CG-CG 4.31Å; K124-E128 WeakPolarHBondContact CG-OE1 3.29Å; K124-E128 IonicContact NZ-OE1 3.92Å; K124-E128 WeakPolarHBondContact O-CB 3.3Å; K124-E128 WeakPolarHBondContact O-CG 3.43Å; K124-E128 PolarHBondContact O-N 2.77Å
125L82.4Confident83.6Confident36 Ų3657.5 Ų57.519%0.18828%0.277CS..Hα-helixtrans-61.7-40.5-178.7-73.1171.2000112.4L117 D121 T127 K129 G130 L217 T219L117-L125 HydrophobicContact CD1-CD1 4.01Å; L117-L125 HydrophobicContact CD2-CD1 4.1Å; D121-L125 VanDerWaalsContact O-CB 3.3Å; D121-L125 WeakPolarHBondContact O-CB 3.41Å; D121-L125 VanDerWaalsContact O-CG 3.24Å; D121-L125 WeakPolarHBondContact O-CG 3.41Å; D121-L125 PolarHBondContact O-N 3.26Å; L125-T127 VanDerWaalsContact C-N 3.32Å; L125-K129 PolarHBondContact O-N 3.38Å; L125-G130 PolarHBondContact O-N 3.29Å; L125-L217 HydrophobicContact CB-CD2 3.73Å; L125-T219 HydrophobicContact CD1-CG2 4.45Å
126L88.5Confident84.5Confident0 Ų056.9 Ų56.90%027%0.271CS..Hα-helixtrans-67.3-32175.2-77.4167.7000112.2A122 E123 K124 G130 S134 L136 R152 V167 L217A122-L126 VanDerWaalsContact O-CB 3.22Å; A122-L126 WeakPolarHBondContact O-CB 3.07Å; A122-L126 VanDerWaalsContact O-CG 3.29Å; A122-L126 WeakPolarHBondContact O-CG 3.47Å; A122-L126 PolarHBondContact O-N 2.95Å; E123-L126 PolarHBondContact O-N 3.48Å; K124-L126 PolarHBondContact O-N 2.93Å; L126-G130 WeakPolarHBondContact O-CA 3.45Å; L126-G130 PolarHBondContact O-N 3.35Å; L126-G130 VanDerWaalsContact O-N 3.12Å; L126-S134 WeakPolarHBondContact CD2-O 3.25Å; L126-L136 HydrophobicContact CD1-CD2 4.34Å; L126-L136 HydrophobicContact CD1-CG 4.36Å; L126-L136 HydrophobicContact CD2-CD2 4.49Å; L126-L136 HydrophobicContact CG-CD2 4.11Å; L126-R152 HydrophobicContact CB-CB 4.41Å; L126-R152 HydrophobicContact CD2-CB 4.4Å; L126-R152 WeakPolarHBondContact O-CD 3.19Å; L126-R152 PolarHBondContact O-NH1 3.18Å; L126-V167 HydrophobicContact CB-CG2 3.73Å; L126-V167 HydrophobicContact CD1-CG1 3.64Å; L126-V167 HydrophobicContact CD1-CG2 4.13Å; L126-L217 HydrophobicContact CD2-CB 4.2Å; L126-L217 HydrophobicContact CD2-CD1 4.33Å; L126-L217 HydrophobicContact CD2-CD2 3.97Å; L126-L217 HydrophobicContact CD2-CG 4.4Å; L126-L217 HydrophobicContact CG-CD2 4.1Å
127T87.5Confident85.5Confident82 Ų8250.4 Ų50.450%0.50324%0.241SC..Hα-helixtrans-76.6-43.5177.4-55.80000111.9E123 K124 L125 R152E123-T127 VanDerWaalsContact O-CB 3.28Å; E123-T127 WeakPolarHBondContact O-CB 3.47Å; E123-T127 PolarHBondContact O-N 2.96Å; E123-T127 PolarHBondContact O-OG1 3.39Å; K124-T127 PolarHBondContact O-N 3.08Å; K124-T127 VanDerWaalsContact O-N 3.09Å; L125-T127 VanDerWaalsContact C-N 3.32Å; T127-R152 VanDerWaalsContact C-NH1 3.35Å; T127-R152 PolarHBondContact O-NH1 2.9Å
128E82.5Confident86.1Confident121 Ų12150 Ų5057%0.56524%0.238SC*.Hα-helixtrans-77.3-44.5-177.9-69.2174.3166.200113.1K124K124-E128 WeakPolarHBondContact CE-OE1 3.46Å; K124-E128 VanDerWaalsContact CE-OE2 3.23Å; K124-E128 WeakPolarHBondContact CE-OE2 3.12Å; K124-E128 HydrophobicContact CG-CG 4.31Å; K124-E128 WeakPolarHBondContact CG-OE1 3.29Å; K124-E128 IonicContact NZ-OE1 3.92Å; K124-E128 WeakPolarHBondContact O-CB 3.3Å; K124-E128 WeakPolarHBondContact O-CG 3.43Å; K124-E128 PolarHBondContact O-N 2.77Å
129K79.8Confident86.1Confident89 Ų8952 Ų5239%0.38725%0.245SC..Hα-helixtrans-113-11.6-171.8-61.7-168.3175.4-1680114.2L125 L217 R221L125-K129 PolarHBondContact O-N 3.38Å; K129-L217 HydrophobicContact CB-CD1 4.11Å; K129-R221 PolarHBondContact NZ-O 3.32Å
130G82.3Confident86Confident8 Ų851.6 Ų51.68%0.08224%0.24CC..  trans-83.9178.7-17900000114.6L125 L126 R152 L217L125-G130 PolarHBondContact O-N 3.29Å; L126-G130 WeakPolarHBondContact O-CA 3.45Å; L126-G130 PolarHBondContact O-N 3.35Å; L126-G130 VanDerWaalsContact O-N 3.12Å; G130-R152 PolarHBondContact O-NH1 2.77Å; G130-R152 VanDerWaalsContact O-NH1 3.09Å; G130-L217 VanDerWaalsContact CA-CD1 3.48Å
131K86.8Confident85.6Confident148 Ų14847.2 Ų47.264%0.64323%0.228SC*.  trans-141.9176.6171.9-61.6-176.6-177.9176.80108.9G133 S134K131-G133 PolarHBondContact O-N 2.91Å; K131-S134 PolarHBondContact N-OG 3.04Å; K131-S134 VanDerWaalsContact O-CB 3.23Å; K131-S134 WeakPolarHBondContact O-CB 3.36Å; K131-S134 PolarHBondContact O-N 2.95Å; K131-S134 PolarHBondContact O-OG 3.14Å
132N89.2Confident85.7Confident34 Ų3447.4 Ų47.418%0.18224%0.236CC..THydrogen-bonded Turntrans-52.1124.1170.8-173.4-0.8000111G154 D155 Q215N132-G154 VanDerWaalsContact CB-O 3.26Å; N132-G154 WeakPolarHBondContact CB-O 3.09Å; N132-D155 WeakPolarHBondContact CB-OD1 3.39Å; N132-D155 VanDerWaalsContact ND2-CG 3.25Å; N132-D155 PolarHBondContact ND2-OD1 2.93Å; N132-D155 PolarHBondContact ND2-OD2 3.45Å; N132-Q215 PolarHBondContact O-NE2 3.38Å
133G88.9Confident85.4Confident0 Ų052.2 Ų52.20%026%0.258CS..THydrogen-bonded Turntrans7613.8-174.800000115.6K131 R152 Q212 K214 Q215K131-G133 PolarHBondContact O-N 2.91Å; G133-R152 WeakPolarHBondContact CA-O 3.38Å; G133-R152 PolarHBondContact N-O 3.27Å; G133-Q212 WeakPolarHBondContact CA-O 3.32Å; G133-K214 PolarHBondContact O-N 3.17Å; G133-Q215 VanDerWaalsContact C-NE2 3.31Å; G133-Q215 PolarHBondContact O-N 3.22Å
134S90.9Very high84.6Confident5 Ų554.3 Ų54.34%0.03528%0.279CS..EExtended strand (participates in β ladder)trans-73.5135.9167.4-78.30000110.2L126 K131 R152 Q215L126-S134 WeakPolarHBondContact CD2-O 3.25Å; K131-S134 PolarHBondContact N-OG 3.04Å; K131-S134 VanDerWaalsContact O-CB 3.23Å; K131-S134 WeakPolarHBondContact O-CB 3.36Å; K131-S134 PolarHBondContact O-N 2.95Å; K131-S134 PolarHBondContact O-OG 3.14Å; S134-R152 PolarHBondContact O-N 2.65Å; S134-Q215 CarbonylContact C-O 3.54Å; S134-Q215 VanDerWaalsContact CA-O 3.27Å; S134-Q215 WeakPolarHBondContact CA-O 3.49Å; S134-Q215 PolarHBondContact OG-NE2 3.33Å
135F93.8Very high83.9Confident0 Ų051.2 Ų51.20%028%0.279CS..EExtended strand (participates in β ladder)trans-140.4158.5-179.774.4-83.7000113.5W112 L149 S150 V151 V195 L213 Q215 P216 L217W112-F135 HydrophobicContact CB-CD2 4.04Å; W112-F135 HydrophobicContact CB-CE2 3.41Å; W112-F135 VanDerWaalsContact CB-CE2 3.41Å; W112-F135 HydrophobicContact CB-CZ 3.96Å; W112-F135 HydrophobicContact CD2-CE2 4.19Å; W112-F135 AromaticContact CG-CE2 3.6Å; W112-F135 HydrophobicContact CG-CE2 3.6Å; W112-F135 HydrophobicContact CG-CZ 4.09Å; F135-L149 HydrophobicContact CB-CD1 4.07Å; F135-L149 HydrophobicContact CD2-CD1 3.79Å; F135-L149 HydrophobicContact CG-CD1 4.33Å; F135-S150 CarbonylContact C-O 3.44Å; F135-S150 VanDerWaalsContact CA-O 3.22Å; F135-S150 WeakPolarHBondContact CA-O 3.31Å; F135-V151 HydrophobicContact CB-CB 4.44Å; F135-V151 HydrophobicContact CB-CG1 4.32Å; F135-V151 HydrophobicContact CB-CG2 4.05Å; F135-V195 HydrophobicContact CE2-CG1 3.74Å; F135-V195 HydrophobicContact CZ-CG1 4.01Å; F135-L213 HydrophobicContact CB-CD2 3.91Å; F135-L213 HydrophobicContact CD1-CB 3.71Å; F135-L213 HydrophobicContact CD1-CD2 4.26Å; F135-L213 HydrophobicContact CD2-CD2 4.41Å; F135-L213 HydrophobicContact CE1-CB 3.81Å; F135-L213 WeakPolarHBondContact CE1-O 3.42Å; F135-L213 HydrophobicContact CG-CB 4.18Å; F135-L213 HydrophobicContact CG-CD2 3.94Å; F135-L213 HydrophobicContact CZ-CB 4.35Å; F135-Q215 WeakPolarHBondContact CD1-O 3.29Å; F135-Q215 PolarHBondContact N-O 2.88Å; F135-P216 HydrophobicContact CE1-CG 4.35Å; F135-P216 HydrophobicContact CZ-CG 4.15Å; F135-P216 CarbonylContact O-C 3.52Å; F135-P216 WeakPolarHBondContact O-CA 3.34Å; F135-L217 PolarHBondContact O-N 2.82Å
136L90.6Very high84.1Confident0 Ų050.8 Ų50.80%028%0.277CS..EExtended strand (participates in β ladder)trans-145.5160.316864.584.9000110.7W112 L117 A122 L126 R138 L149 S150 L217W112-L136 CarbonylContact O-C 3.58Å; W112-L136 VanDerWaalsContact O-CA 3.23Å; W112-L136 WeakPolarHBondContact O-CA 3.49Å; L117-L136 HydrophobicContact CD2-CD1 3.97Å; L117-L136 HydrophobicContact CD2-CD2 3.91Å; A122-L136 HydrophobicContact CB-CD1 4Å; A122-L136 HydrophobicContact CB-CD2 4.27Å; L126-L136 HydrophobicContact CD1-CD2 4.34Å; L126-L136 HydrophobicContact CD1-CG 4.36Å; L126-L136 HydrophobicContact CD2-CD2 4.49Å; L126-L136 HydrophobicContact CG-CD2 4.11Å; L136-R138 HydrophobicContact CD1-CB 4.17Å; L136-R138 HydrophobicContact CD1-CG 4.25Å; L136-L149 CarbonylContact O-C 3.59Å; L136-S150 PolarHBondContact N-O 3.19Å; L136-S150 PolarHBondContact O-N 2.96Å; L136-L217 HydrophobicContact CD2-CB 4.46Å; L136-L217 HydrophobicContact CD2-CD2 3.78Å
137V90.2Very high84.2Confident0 Ų052.1 Ų52.10%028%0.283CS..EExtended strand (participates in β ladder)trans-118.5139.5169.3-1780000108.5W112 F113 H114 F147 V148 L149 I172 L191 V195W112-V137 HydrophobicContact CE3-CB 3.68Å; W112-V137 HydrophobicContact CE3-CG2 3.46Å; W112-V137 VanDerWaalsContact CE3-CG2 3.46Å; W112-V137 HydrophobicContact CZ3-CB 3.72Å; W112-V137 HydrophobicContact CZ3-CG1 4.35Å; W112-V137 HydrophobicContact CZ3-CG2 3.6Å; W112-V137 PolarHBondContact O-N 3.04Å; F113-V137 WeakPolarHBondContact CA-O 3.15Å; F113-V137 HydrophobicContact CD2-CB 4.36Å; F113-V137 HydrophobicContact CD2-CG1 4.29Å; H114-V137 PolarHBondContact N-O 2.97Å; V137-F147 HydrophobicContact CG1-CB 4.01Å; V137-V148 WeakPolarHBondContact CA-O 3.48Å; V137-L149 HydrophobicContact CG2-CB 4.16Å; V137-L149 HydrophobicContact CG2-CD1 3.87Å; V137-I172 HydrophobicContact CG1-CD1 4.12Å; V137-I172 HydrophobicContact CG2-CD1 4.38Å; V137-L191 HydrophobicContact CG1-CD1 4.3Å; V137-V195 HydrophobicContact CG2-CG2 4.07Å
138R85.5Confident84.5Confident16 Ų1648.5 Ų48.56%0.0626%0.261CS..EExtended strand (participates in β ladder)trans-138.8165.1-177.961.5-166.9-18073.9-1.1110.2G115 L117 G119 L136 F147 V148 S150 H169G115-R138 CarbonylContact O-C 3.5Å; G115-R138 WeakPolarHBondContact O-CA 3.01Å; L117-R138 HydrophobicContact CB-CB 3.89Å; L117-R138 WeakPolarHBondContact O-CD 3.48Å; L117-R138 PolarHBondContact O-NH1 2.87Å; G119-R138 VanDerWaalsContact CA-CZ 3.45Å; G119-R138 VanDerWaalsContact CA-NH2 3.31Å; L136-R138 HydrophobicContact CD1-CB 4.17Å; L136-R138 HydrophobicContact CD1-CG 4.25Å; R138-F147 CarbonylContact O-C 3.57Å; R138-F147 VanDerWaalsContact O-CA 3.24Å; R138-F147 WeakPolarHBondContact O-CA 3.41Å; R138-F147 WeakPolarHBondContact O-CB 3.43Å; R138-V148 HydrophobicContact CG-CB 4.09Å; R138-V148 PolarHBondContact N-O 2.87Å; R138-V148 PolarHBondContact O-N 3.36Å; R138-S150 PolarHBondContact NE-OG 2.89Å; R138-S150 VanDerWaalsContact NE-OG 3.11Å; R138-H169 PolarHBondContact NH2-ND1 2.74Å
139E78.7Confident85.1Confident60 Ų6042.8 Ų42.828%0.2823%0.234SC..EExtended strand (participates in β ladder)trans-65.5148.9171.8-67175178.200111.3G115 H116 Q141 F147G115-E139 PolarHBondContact O-N 2.85Å; H116-E139 IonicContact CE1-OE2 2.82Å; H116-E139 IonicContact CG-OE2 3.41Å; H116-E139 IonicContact ND1-OE2 3.58Å; H116-E139 PolarHBondContact ND1-OE2 3.04Å; E139-Q141 PolarHBondContact O-N 3.3Å; E139-F147 HydrophobicContact CG-CD1 4.28Å; E139-F147 HydrophobicContact CG-CE1 4.01Å
140S80.8Confident85.8Confident7 Ų738.5 Ų38.55%0.04922%0.216CC..  trans-83.8111.6175.3-1760000110.9S142 H143 D146S140-S142 PolarHBondContact O-N 3.34Å; S140-S142 PolarHBondContact OG-OG 3.13Å; S140-H143 WeakPolarHBondContact CB-O 3.49Å; S140-H143 PolarHBondContact OG-N 3.11Å; S140-D146 VanDerWaalsContact CB-C 3.48Å; S140-D146 WeakPolarHBondContact CB-O 3.47Å; S140-D146 PolarHBondContact N-O 2.67Å
141Q78.9Confident86.4Confident111 Ų11138.1 Ų38.152%0.51921%0.212SC..SBendtrans-70.5-15.3176.5-65.6-175.7-52.500113.7S118 E139S118-Q141 VanDerWaalsContact CA-OE1 3.27Å; S118-Q141 VanDerWaalsContact CB-OE1 3.29Å; E139-Q141 PolarHBondContact O-N 3.3Å
142S79.8Confident86.7Confident81 Ų8131.5 Ų31.557%0.56618%0.183SC*.SBendtrans-99.2-21.9178.555.90000113.7S140S140-S142 PolarHBondContact O-N 3.34Å; S140-S142 PolarHBondContact OG-OG 3.13Å
143H79.2Confident86.7Confident101 Ų10130.1 Ų30.147%0.46818%0.175SC..SBendtrans-136.789-176.8-63.876.8000109.2S140 G145 D146S140-H143 WeakPolarHBondContact CB-O 3.49Å; S140-H143 PolarHBondContact OG-N 3.11Å; H143-G145 PolarHBondContact O-N 3.36Å; H143-D146 HydrophobicContact CB-CB 3.96Å; H143-D146 WeakPolarHBondContact O-CB 3.09Å; H143-D146 PolarHBondContact O-N 3.04Å
144P73.8Confident86.1Confident128 Ų12831.1 Ų31.183%0.83119%0.185SC*.THydrogen-bonded Turntrans-57.8123-177.3-26.435.8000112.4
145G71.9Confident85Confident49 Ų4934.8 Ų34.851%0.50521%0.205SC..THydrogen-bonded Turntrans105.6-23.4-173.800000113.9H143 F147 C174H143-G145 PolarHBondContact O-N 3.36Å; G145-F147 VanDerWaalsContact O-CE2 3.28Å; G145-F147 WeakPolarHBondContact O-CE2 3.4Å; G145-C174 WeakPolarHBondContact O-CB 3.47Å
146D86.2Confident83.5Confident27 Ų2739.8 Ų39.814%0.14423%0.231CC..  trans-84.2167.7170.3-72-11.6000111.5S140 H143 M171 I172 R173 C174S140-D146 VanDerWaalsContact CB-C 3.48Å; S140-D146 WeakPolarHBondContact CB-O 3.47Å; S140-D146 PolarHBondContact N-O 2.67Å; H143-D146 HydrophobicContact CB-CB 3.96Å; H143-D146 WeakPolarHBondContact O-CB 3.09Å; H143-D146 PolarHBondContact O-N 3.04Å; D146-M171 HydrophobicContact CB-SD 4.15Å; D146-I172 WeakPolarHBondContact CB-O 3.26Å; D146-R173 VanDerWaalsContact OD1-CA 3.28Å; D146-R173 WeakPolarHBondContact OD1-CA 3.2Å; D146-C174 PolarHBondContact OD1-N 2.82Å
147F91.3Very high81.9Confident27 Ų2749.1 Ų49.112%0.11827%0.272CS..EExtended strand (participates in β ladder)trans-129167.2-179.8-60.3-89.7000110.8F113 V137 R138 E139 G145 M171 I172 Y180 L191F113-F147 AromaticContact CE2-CD1 3.78Å; F113-F147 HydrophobicContact CE2-CD1 3.78Å; F113-F147 AromaticContact CE2-CE1 3.73Å; F113-F147 HydrophobicContact CE2-CE1 3.73Å; F113-F147 HydrophobicContact CZ-CD1 4.33Å; F113-F147 AromaticContact CZ-CE1 3.91Å; F113-F147 HydrophobicContact CZ-CE1 3.91Å; V137-F147 HydrophobicContact CG1-CB 4.01Å; R138-F147 CarbonylContact O-C 3.57Å; R138-F147 VanDerWaalsContact O-CA 3.24Å; R138-F147 WeakPolarHBondContact O-CA 3.41Å; R138-F147 WeakPolarHBondContact O-CB 3.43Å; E139-F147 HydrophobicContact CG-CD1 4.28Å; E139-F147 HydrophobicContact CG-CE1 4.01Å; G145-F147 VanDerWaalsContact O-CE2 3.28Å; G145-F147 WeakPolarHBondContact O-CE2 3.4Å; F147-M171 VanDerWaalsContact O-SD 3.4Å; F147-I172 HydrophobicContact CB-CB 4.14Å; F147-I172 PolarHBondContact N-O 2.88Å; F147-I172 PolarHBondContact O-N 3.19Å; F147-Y180 HydrophobicContact CD2-CD1 4.45Å; F147-Y180 HydrophobicContact CD2-CE1 4.17Å; F147-Y180 AromaticContact CE2-CE1 3.89Å; F147-Y180 HydrophobicContact CE2-CE1 3.89Å; F147-L191 HydrophobicContact CB-CD1 4.32Å; F147-L191 HydrophobicContact CD1-CD1 3.81Å; F147-L191 HydrophobicContact CD2-CD1 3.86Å; F147-L191 HydrophobicContact CD2-CD2 4.2Å; F147-L191 HydrophobicContact CE1-CD1 4.07Å; F147-L191 HydrophobicContact CE2-CD1 4.13Å; F147-L191 HydrophobicContact CG-CD1 3.71Å; F147-L191 HydrophobicContact CG-CD2 4.42Å; F147-L191 HydrophobicContact CZ-CD1 4.22Å
148V94.1Very high80.1Confident7 Ų752.2 Ų52.24%0.04229%0.291CS..EExtended strand (participates in β ladder)trans-134.1120177.3-173.70000110.2V137 R138 H169 V170 M171V137-V148 WeakPolarHBondContact CA-O 3.48Å; R138-V148 HydrophobicContact CG-CB 4.09Å; R138-V148 PolarHBondContact N-O 2.87Å; R138-V148 PolarHBondContact O-N 3.36Å; V148-H169 HydrophobicContact CG1-CB 3.78Å; V148-V170 CarbonylContact C-O 3.59Å; V148-V170 WeakPolarHBondContact CA-O 3.2Å; V148-M171 HydrophobicContact CG2-CE 4.28Å; V148-M171 HydrophobicContact CG2-SD 3.9Å
149L95Very high78.5Confident0 Ų059.6 Ų59.60%033%0.332CS..EExtended strand (participates in β ladder)trans-82.8118.6168.5169.256.8000108.9F135 L136 V137 V151 H169 V170 I172 M203 L213F135-L149 HydrophobicContact CB-CD1 4.07Å; F135-L149 HydrophobicContact CD2-CD1 3.79Å; F135-L149 HydrophobicContact CG-CD1 4.33Å; L136-L149 CarbonylContact O-C 3.59Å; V137-L149 HydrophobicContact CG2-CB 4.16Å; V137-L149 HydrophobicContact CG2-CD1 3.87Å; L149-V151 HydrophobicContact CD1-CG2 3.83Å; L149-V151 HydrophobicContact CD2-CG2 4.49Å; L149-V151 HydrophobicContact CG-CG2 3.81Å; L149-H169 WeakPolarHBondContact O-CA 3.41Å; L149-V170 HydrophobicContact CB-CB 4.35Å; L149-V170 PolarHBondContact N-O 3Å; L149-V170 PolarHBondContact O-N 2.88Å; L149-I172 HydrophobicContact CB-CD1 3.74Å; L149-I172 HydrophobicContact CB-CG1 4.36Å; L149-M203 HydrophobicContact CD2-CE 3.63Å; L149-L213 HydrophobicContact CD1-CD2 4.11Å; L149-L213 HydrophobicContact CD2-CD1 4.03Å; L149-L213 HydrophobicContact CD2-CD2 4.2Å
150S94.6Very high77.3Confident0 Ų061 Ų610%035%0.345CS..EExtended strand (participates in β ladder)trans-111.4121.8-177.3-490000108.7F135 L136 R138 T168 H169F135-S150 CarbonylContact C-O 3.44Å; F135-S150 VanDerWaalsContact CA-O 3.22Å; F135-S150 WeakPolarHBondContact CA-O 3.31Å; L136-S150 PolarHBondContact N-O 3.19Å; L136-S150 PolarHBondContact O-N 2.96Å; R138-S150 PolarHBondContact NE-OG 2.89Å; R138-S150 VanDerWaalsContact NE-OG 3.11Å; S150-T168 CarbonylContact C-O 3.55Å; S150-T168 WeakPolarHBondContact CA-O 3.5Å; S150-H169 WeakPolarHBondContact CB-ND1 3.19Å; S150-H169 PolarHBondContact OG-CE1 2.77Å; S150-H169 VanDerWaalsContact OG-CE1 3.27Å; S150-H169 PolarHBondContact OG-ND1 2.95Å
151V94.9Very high75.9Confident0 Ų066.6 Ų66.60%037%0.374CS..EExtended strand (participates in β ladder)trans-131.1126.5-169.5-169.90000110.6F135 L149 T153 V167 T168 L213F135-V151 HydrophobicContact CB-CB 4.44Å; F135-V151 HydrophobicContact CB-CG1 4.32Å; F135-V151 HydrophobicContact CB-CG2 4.05Å; L149-V151 HydrophobicContact CD1-CG2 3.83Å; L149-V151 HydrophobicContact CD2-CG2 4.49Å; L149-V151 HydrophobicContact CG-CG2 3.81Å; V151-T153 HydrophobicContact CG1-CG2 4.32Å; V151-V167 CarbonylContact O-C 3.58Å; V151-V167 WeakPolarHBondContact O-CA 3.28Å; V151-T168 PolarHBondContact N-O 3.02Å; V151-T168 PolarHBondContact O-N 2.8Å; V151-L213 HydrophobicContact CB-CD2 4.49Å; V151-L213 HydrophobicContact CG1-CD2 4.05Å; V151-L213 HydrophobicContact CG2-CD2 3.56Å
152R92.2Very high74.7Confident9 Ų969.2 Ų69.23%0.03439%0.392CS..EExtended strand (participates in β ladder)trans-83129.1169.9178.3166.1172.9177.41110.9L126 T127 G130 G133 S134 D156 K166 V167L126-R152 HydrophobicContact CB-CB 4.41Å; L126-R152 HydrophobicContact CD2-CB 4.4Å; L126-R152 WeakPolarHBondContact O-CD 3.19Å; L126-R152 PolarHBondContact O-NH1 3.18Å; T127-R152 VanDerWaalsContact C-NH1 3.35Å; T127-R152 PolarHBondContact O-NH1 2.9Å; G130-R152 PolarHBondContact O-NH1 2.77Å; G130-R152 VanDerWaalsContact O-NH1 3.09Å; G133-R152 WeakPolarHBondContact CA-O 3.38Å; G133-R152 PolarHBondContact N-O 3.27Å; S134-R152 PolarHBondContact O-N 2.65Å; R152-D156 IonicContact CZ-OD1 3.28Å; R152-D156 IonicContact CZ-OD2 3.26Å; R152-D156 IonicContact NH2-OD1 3.77Å; R152-D156 PolarHBondContact NH2-OD1 2.63Å; R152-D156 IonicContact NH2-OD2 2.69Å; R152-D156 PolarHBondContact NH2-OD2 2.92Å; R152-K166 CarbonylContact C-O 3.58Å; R152-K166 WeakPolarHBondContact CA-O 3.4Å; R152-V167 HydrophobicContact CB-CG2 4.41Å
153T88.7Confident73.6Confident5 Ų566 Ų663%0.03137%0.37CS..EExtended strand (participates in β ladder)trans-129.1159.5172.956.80000110.1V151 P165 K166 T209 L211V151-T153 HydrophobicContact CG1-CG2 4.32Å; T153-P165 CarbonylContact O-C 3.53Å; T153-P165 VanDerWaalsContact O-CA 3.3Å; T153-P165 WeakPolarHBondContact O-CA 3.46Å; T153-K166 PolarHBondContact N-O 2.89Å; T153-K166 PolarHBondContact O-N 3.22Å; T153-K166 WeakPolarHBondContact OG1-CE 3.36Å; T153-K166 VanDerWaalsContact OG1-CG 3.25Å; T153-K166 WeakPolarHBondContact OG1-CG 3.41Å; T153-T209 HydrophobicContact CG2-CG2 4.24Å; T153-L211 HydrophobicContact CG2-CD2 3.84Å
154G78Confident73Confident20 Ų2067.2 Ų67.221%0.20637%0.374CS..SBendtrans89.8155.1-169.200000112.7N132 G163N132-G154 VanDerWaalsContact CB-O 3.26Å; N132-G154 WeakPolarHBondContact CB-O 3.09Å; G154-G163 WeakPolarHBondContact CA-O 3.39Å
155D66.3Low73.2Confident83 Ų8364 Ų6444%0.44435%0.354SS..  trans-120.2137.7-177.3-83.1-56.6000110.8N132 K157 T158 G163N132-D155 WeakPolarHBondContact CB-OD1 3.39Å; N132-D155 VanDerWaalsContact ND2-CG 3.25Å; N132-D155 PolarHBondContact ND2-OD1 2.93Å; N132-D155 PolarHBondContact ND2-OD2 3.45Å; D155-K157 PolarHBondContact O-N 2.6Å; D155-T158 PolarHBondContact O-OG1 2.94Å; D155-G163 PolarHBondContact N-O 2.81Å
156D62.5Low74Confident105 Ų10565.3 Ų65.356%0.56135%0.346SS*.THydrogen-bonded Turntrans-74.124.9-173.1-46.2-34.5000114.1R152R152-D156 IonicContact CZ-OD1 3.28Å; R152-D156 IonicContact CZ-OD2 3.26Å; R152-D156 IonicContact NH2-OD1 3.77Å; R152-D156 PolarHBondContact NH2-OD1 2.63Å; R152-D156 IonicContact NH2-OD2 2.69Å; R152-D156 PolarHBondContact NH2-OD2 2.92Å
157K56.4Low74.3Confident195 Ų19565.4 Ų65.485%0.84835%0.347SS*.THydrogen-bonded Turntrans-1335.3-169.6-66.3-169.4174.8-171.50114.5D155D155-K157 PolarHBondContact O-N 2.6Å
158T52.8Low74.4Confident66 Ų6665.2 Ų65.241%0.40535%0.348SS..  trans-124.4108.1-176.752.10000110.9D155 T160D155-T158 PolarHBondContact O-OG1 2.94Å; T158-T160 PolarHBondContact O-N 2.85Å; T158-T160 VanDerWaalsContact O-N 3.15Å
159D51.5Low74.3Confident171 Ų17168 Ų6891%0.91436%0.361SS*.  trans-70.3-2.8179.2-63.3-58.7000114.2
160T53.3Low74.3Confident90 Ų9069.1 Ų69.155%0.55237%0.367SS*.SBendtrans-67.3133.5171.650.10000111.2T158 D162 G163T158-T160 PolarHBondContact O-N 2.85Å; T158-T160 VanDerWaalsContact O-N 3.15Å; T160-D162 PolarHBondContact O-N 2.84Å; T160-D162 VanDerWaalsContact O-N 3.1Å; T160-G163 PolarHBondContact O-N 2.85Å
161N52.3Low74.2Confident123 Ų12372.1 Ų72.166%0.65838%0.382SS*.G310 helixtrans-56.2-31.2-176.2-87.4-43.5000114.5G163 K164N161-G163 PolarHBondContact O-N 2.77Å; N161-K164 PolarHBondContact OD1-NZ 3.28Å
162D53.5Low74.2Confident167 Ų16772.1 Ų72.189%0.89338%0.382SS*.G310 helixtrans-73.8-8.9177.7-57.4-58.2000114.4T160T160-D162 PolarHBondContact O-N 2.84Å; T160-D162 VanDerWaalsContact O-N 3.1Å
163G57.2Low74.1Confident12 Ų1276.2 Ų76.212%0.12440%0.398CS..G310 helixtrans-99.2-5.8-17500000115.8G154 D155 T160 N161G154-G163 WeakPolarHBondContact CA-O 3.39Å; D155-G163 PolarHBondContact N-O 2.81Å; T160-G163 PolarHBondContact O-N 2.85Å; N161-G163 PolarHBondContact O-N 2.77Å
164K65.9Low73.9Confident127 Ų12777.8 Ų77.855%0.55241%0.408SS*.SBendtrans-60.2139.3-172.2-77.1172.5173.6162.60112.3N161 K166N161-K164 PolarHBondContact OD1-NZ 3.28Å; K164-K166 PolarHBondContact O-N 3.33Å; K164-K166 VanDerWaalsContact O-N 3.14Å
165P78.6Confident73.9Confident62 Ų6280 Ų8040%0.40341%0.413SS..  trans-63.3116.8178.825.7-34000110.7T153T153-P165 CarbonylContact O-C 3.53Å; T153-P165 VanDerWaalsContact O-CA 3.3Å; T153-P165 WeakPolarHBondContact O-CA 3.46Å
166K88.8Confident73.5Confident75 Ų7580.5 Ų80.533%0.32644%0.438SS..EExtended strand (participates in β ladder)trans-118.2152.8174.769.5172179.2177.60110.8R152 T153 K164 E205 T209R152-K166 CarbonylContact C-O 3.58Å; R152-K166 WeakPolarHBondContact CA-O 3.4Å; T153-K166 PolarHBondContact N-O 2.89Å; T153-K166 PolarHBondContact O-N 3.22Å; T153-K166 WeakPolarHBondContact OG1-CE 3.36Å; T153-K166 VanDerWaalsContact OG1-CG 3.25Å; T153-K166 WeakPolarHBondContact OG1-CG 3.41Å; K164-K166 PolarHBondContact O-N 3.33Å; K164-K166 VanDerWaalsContact O-N 3.14Å; K166-E205 VanDerWaalsContact NZ-CD 3.32Å; K166-E205 IonicContact NZ-OE1 3.23Å; K166-E205 PolarHBondContact NZ-OE1 2.78Å; K166-E205 IonicContact NZ-OE2 2.67Å; K166-E205 PolarHBondContact NZ-OE2 2.88Å; K166-T209 PolarHBondContact NZ-OG1 3.19Å
167V91.8Very high74Confident29 Ų2979.2 Ų79.218%0.17643%0.431CS..EExtended strand (participates in β ladder)trans-107.7119.3169.5173.70000108.5E123 L126 V151 R152E123-V167 HydrophobicContact CG-CB 4.17Å; E123-V167 HydrophobicContact CG-CG1 4.08Å; L126-V167 HydrophobicContact CB-CG2 3.73Å; L126-V167 HydrophobicContact CD1-CG1 3.64Å; L126-V167 HydrophobicContact CD1-CG2 4.13Å; V151-V167 CarbonylContact O-C 3.58Å; V151-V167 WeakPolarHBondContact O-CA 3.28Å; R152-V167 HydrophobicContact CB-CG2 4.41Å
168T92.9Very high74.8Confident24 Ų2476.1 Ų76.115%0.14742%0.423CS..EExtended strand (participates in β ladder)trans-96.3133.9174.1-59.80000109.2S150 V151 V170 E205 L211S150-T168 CarbonylContact C-O 3.55Å; S150-T168 WeakPolarHBondContact CA-O 3.5Å; V151-T168 PolarHBondContact N-O 3.02Å; V151-T168 PolarHBondContact O-N 2.8Å; T168-V170 HydrophobicContact CG2-CG2 4.31Å; T168-E205 WeakPolarHBondContact CB-OE1 3.45Å; T168-E205 VanDerWaalsContact CG2-OE1 3.26Å; T168-E205 WeakPolarHBondContact CG2-OE1 3.19Å; T168-E205 PolarHBondContact OG1-OE1 2.87Å; T168-L211 HydrophobicContact CG2-CD1 3.96Å; T168-L211 HydrophobicContact CG2-CD2 4.1Å
169H93.4Very high76.4Confident66 Ų6676 Ų7631%0.30642%0.417SS..EExtended strand (participates in β ladder)trans-107116.1173.3-69.4-54.4000110.6E123 R138 V148 L149 S150E123-H169 IonicContact OE1-NE2 2.71Å; R138-H169 PolarHBondContact NH2-ND1 2.74Å; V148-H169 HydrophobicContact CG1-CB 3.78Å; L149-H169 WeakPolarHBondContact O-CA 3.41Å; S150-H169 WeakPolarHBondContact CB-ND1 3.19Å; S150-H169 PolarHBondContact OG-CE1 2.77Å; S150-H169 VanDerWaalsContact OG-CE1 3.27Å; S150-H169 PolarHBondContact OG-ND1 2.95Å
170V94.3Very high78.2Confident22 Ų2269.3 Ų69.313%0.13338%0.379CS..EExtended strand (participates in β ladder)trans-102.9122.3174.1-179.20000108.6V148 L149 T168 V182 M203 L211V148-V170 CarbonylContact C-O 3.59Å; V148-V170 WeakPolarHBondContact CA-O 3.2Å; L149-V170 HydrophobicContact CB-CB 4.35Å; L149-V170 PolarHBondContact N-O 3Å; L149-V170 PolarHBondContact O-N 2.88Å; T168-V170 HydrophobicContact CG2-CG2 4.31Å; V170-V182 HydrophobicContact CG1-CB 3.96Å; V170-V182 HydrophobicContact CG1-CG1 4.13Å; V170-M203 HydrophobicContact CB-CE 4.46Å; V170-M203 HydrophobicContact CG1-CE 4.24Å; V170-M203 HydrophobicContact CG1-SD 4.02Å; V170-M203 HydrophobicContact CG2-CE 4.09Å; V170-M203 HydrophobicContact CG2-SD 4.46Å; V170-L211 HydrophobicContact CG2-CD1 3.64Å
171M93.4Very high80.1Confident64 Ų6465.1 Ų65.132%0.31535%0.354SS..EExtended strand (participates in β ladder)trans-70.2134.1174.1-169.565.372.500109.9D146 F147 V148 V182D146-M171 HydrophobicContact CB-SD 4.15Å; F147-M171 VanDerWaalsContact O-SD 3.4Å; V148-M171 HydrophobicContact CG2-CE 4.28Å; V148-M171 HydrophobicContact CG2-SD 3.9Å; M171-V182 WeakPolarHBondContact O-CA 3.4Å
172I94.1Very high82Confident0 Ų060.8 Ų60.80%033%0.332CS..EExtended strand (participates in β ladder)trans-112.7111.9169.6-63.6162.1000107.1V137 D146 F147 L149 Y180 D181 V182 L191 L194V137-I172 HydrophobicContact CG1-CD1 4.12Å; V137-I172 HydrophobicContact CG2-CD1 4.38Å; D146-I172 WeakPolarHBondContact CB-O 3.26Å; F147-I172 HydrophobicContact CB-CB 4.14Å; F147-I172 PolarHBondContact N-O 2.88Å; F147-I172 PolarHBondContact O-N 3.19Å; L149-I172 HydrophobicContact CB-CD1 3.74Å; L149-I172 HydrophobicContact CB-CG1 4.36Å; I172-Y180 HydrophobicContact CG2-CD1 4.31Å; I172-D181 CarbonylContact C-O 3.57Å; I172-D181 WeakPolarHBondContact CA-O 3.39Å; I172-V182 HydrophobicContact CG1-CG1 4.1Å; I172-L191 HydrophobicContact CD1-CD2 4.33Å; I172-L191 HydrophobicContact CG2-CD2 3.61Å; I172-L194 HydrophobicContact CD1-CD2 3.86Å; I172-L194 HydrophobicContact CG1-CD1 4.27Å; I172-L194 HydrophobicContact CG1-CD2 4.21Å; I172-L194 HydrophobicContact CG2-CD1 3.64Å
173R90.9Very high83.5Confident95 Ų9555.1 Ų55.136%0.35831%0.312SS..EExtended strand (participates in β ladder)trans-80.2141.4177.8-59.8-175-61.3-152.4-2.1110.9D146 Y180 D181 G183D146-R173 VanDerWaalsContact OD1-CA 3.28Å; D146-R173 WeakPolarHBondContact OD1-CA 3.2Å; R173-Y180 VanDerWaalsContact O-CA 3.31Å; R173-Y180 WeakPolarHBondContact O-CA 3.3Å; R173-D181 IonicContact CZ-OD1 2.69Å; R173-D181 IonicContact CZ-OD2 3.73Å; R173-D181 PolarHBondContact N-O 2.96Å; R173-D181 IonicContact NE-OD1 2.68Å; R173-D181 PolarHBondContact NE-OD1 2.87Å; R173-D181 IonicContact NE-OD2 3.61Å; R173-D181 PolarHBondContact NE-OD2 3.19Å; R173-D181 VanDerWaalsContact NE-OD2 3.08Å; R173-D181 IonicContact NH2-OD1 3.37Å; R173-D181 PolarHBondContact NH2-OD1 3.11Å; R173-D181 IonicContact NH2-OD2 3.08Å; R173-D181 PolarHBondContact NH2-OD2 3.06Å; R173-D181 PolarHBondContact O-N 3.23Å; R173-D181 VanDerWaalsContact O-N 3.15Å; R173-G183 PolarHBondContact NH2-O 3.37Å
174C84.3Confident84.6Confident37 Ų3756.6 Ų56.625%0.2533%0.328CS..EExtended strand (participates in β ladder)trans-103103.9166.9-1700000108.4G145 D146 Y180G145-C174 WeakPolarHBondContact O-CB 3.47Å; D146-C174 PolarHBondContact OD1-N 2.82Å; C174-Y180 HydrophobicContact CB-CD1 4.29Å; C174-Y180 HydrophobicContact CB-CE1 4.1Å
175Q76.9Confident85.5Confident67 Ų6754.3 Ų54.331%0.31334%0.34SS..  trans-80161.6-179.3-65.9-163.526.200111.6D177 L178 K179 D181 K187Q175-D177 WeakPolarHBondContact CB-OD1 3.16Å; Q175-D177 PolarHBondContact O-N 2.54Å; Q175-L178 WeakPolarHBondContact O-CA 3.47Å; Q175-L178 PolarHBondContact O-N 2.85Å; Q175-K179 PolarHBondContact N-O 3.48Å; Q175-D181 PolarHBondContact NE2-OD2 2.89Å; Q175-K187 VanDerWaalsContact CD-CE 3.47Å
176G59.2Low86Confident94 Ų9456.6 Ų56.697%0.96935%0.345SS*.THydrogen-bonded Turntrans-63.2-5.9-175.900000115.9L178G176-L178 VanDerWaalsContact C-N 3.32Å
177D72Confident86.2Confident77 Ų7757 Ų5741%0.41235%0.347SS..THydrogen-bonded Turntrans-90.310.5168.656.2-7.2000113.4Q175 K179 K187Q175-D177 WeakPolarHBondContact CB-OD1 3.16Å; Q175-D177 PolarHBondContact O-N 2.54Å; D177-K179 PolarHBondContact O-N 3.28Å; D177-K179 PolarHBondContact OD1-N 3.02Å; D177-K179 WeakPolarHBondContact OD2-CD 3.44Å; D177-K187 VanDerWaalsContact CG-NZ 3.35Å; D177-K187 IonicContact OD1-NZ 3.26Å; D177-K187 PolarHBondContact OD1-NZ 2.89Å; D177-K187 IonicContact OD2-NZ 3.87Å; D177-K187 PolarHBondContact OD2-NZ 3.11Å
178L73.2Confident86.1Confident130 Ų13056.4 Ų56.468%0.68134%0.342SS*.SBendtrans56.627.7-172.9-62.6173.7000113.7Q175 G176Q175-L178 WeakPolarHBondContact O-CA 3.47Å; Q175-L178 PolarHBondContact O-N 2.85Å; G176-L178 VanDerWaalsContact C-N 3.32Å
179K86.1Confident85.7Confident65 Ų6560 Ų6028%0.28336%0.361SS..  trans-102.6152.3173.7-65.1179.7-176.6-82.10111.8Q175 D177 K187 F188 D189Q175-K179 PolarHBondContact N-O 3.48Å; D177-K179 PolarHBondContact O-N 3.28Å; D177-K179 PolarHBondContact OD1-N 3.02Å; D177-K179 WeakPolarHBondContact OD2-CD 3.44Å; K179-K187 HydrophobicContact CB-CB 4.15Å; K179-K187 HydrophobicContact CB-CD 4.18Å; K179-K187 HydrophobicContact CD-CB 3.98Å; K179-K187 HydrophobicContact CD-CD 3.94Å; K179-F188 CarbonylContact C-O 3.6Å; K179-F188 VanDerWaalsContact CA-O 3.28Å; K179-F188 WeakPolarHBondContact CA-O 3.46Å; K179-F188 WeakPolarHBondContact CB-O 3.27Å; K179-D189 IonicContact NZ-OD1 2.88Å; K179-D189 PolarHBondContact NZ-OD1 2.84Å
180Y90.6Very high85.3Confident29 Ų2957 Ų5711%0.11435%0.347CS..EExtended strand (participates in β ladder)trans-108.6138.1-175.1-54.4-82.2000111.8F147 I172 R173 C174 F188 L191F147-Y180 HydrophobicContact CD2-CD1 4.45Å; F147-Y180 HydrophobicContact CD2-CE1 4.17Å; F147-Y180 AromaticContact CE2-CE1 3.89Å; F147-Y180 HydrophobicContact CE2-CE1 3.89Å; I172-Y180 HydrophobicContact CG2-CD1 4.31Å; R173-Y180 VanDerWaalsContact O-CA 3.31Å; R173-Y180 WeakPolarHBondContact O-CA 3.3Å; C174-Y180 HydrophobicContact CB-CD1 4.29Å; C174-Y180 HydrophobicContact CB-CE1 4.1Å; Y180-F188 PolarHBondContact N-O 3.47Å; Y180-F188 WeakPolarHBondContact O-CD2 3.45Å; Y180-F188 PolarHBondContact O-N 3.37Å; Y180-L191 HydrophobicContact CD1-CD2 3.38Å; Y180-L191 HydrophobicContact CD1-CG 3.98Å; Y180-L191 HydrophobicContact CD2-CD2 4.39Å; Y180-L191 HydrophobicContact CE1-CD2 3.89Å; Y180-L191 HydrophobicContact CE1-CG 4.01Å; Y180-L191 HydrophobicContact CG-CD2 3.66Å; Y180-L191 HydrophobicContact CG-CG 4.25Å
181D93Very high84.8Confident3 Ų356 Ų562%0.01634%0.341CS..EExtended strand (participates in β ladder)trans-149.3158.8177.392.688.8000112.2I172 R173 Q175 G183 G184 K187I172-D181 CarbonylContact C-O 3.57Å; I172-D181 WeakPolarHBondContact CA-O 3.39Å; R173-D181 IonicContact CZ-OD1 2.69Å; R173-D181 IonicContact CZ-OD2 3.73Å; R173-D181 PolarHBondContact N-O 2.96Å; R173-D181 IonicContact NE-OD1 2.68Å; R173-D181 PolarHBondContact NE-OD1 2.87Å; R173-D181 IonicContact NE-OD2 3.61Å; R173-D181 PolarHBondContact NE-OD2 3.19Å; R173-D181 VanDerWaalsContact NE-OD2 3.08Å; R173-D181 IonicContact NH2-OD1 3.37Å; R173-D181 PolarHBondContact NH2-OD1 3.11Å; R173-D181 IonicContact NH2-OD2 3.08Å; R173-D181 PolarHBondContact NH2-OD2 3.06Å; R173-D181 PolarHBondContact O-N 3.23Å; R173-D181 VanDerWaalsContact O-N 3.15Å; Q175-D181 PolarHBondContact NE2-OD2 2.89Å; D181-G183 VanDerWaalsContact OD1-C 3.27Å; D181-G183 WeakPolarHBondContact OD1-CA 3.29Å; D181-G183 PolarHBondContact OD1-N 2.87Å; D181-G184 PolarHBondContact OD1-N 3.36Å; D181-K187 HydrophobicContact CB-CG 4.47Å
182V92.3Very high84.3Confident32 Ų3254 Ų5419%0.19433%0.332CS..SBendtrans-101.616.7-175.5-61.10000115.1V170 M171 I172 L194 Y198 M203V170-V182 HydrophobicContact CG1-CB 3.96Å; V170-V182 HydrophobicContact CG1-CG1 4.13Å; M171-V182 WeakPolarHBondContact O-CA 3.4Å; I172-V182 HydrophobicContact CG1-CG1 4.1Å; V182-L194 HydrophobicContact CG1-CD1 4.25Å; V182-L194 HydrophobicContact CG1-CD2 4.33Å; V182-Y198 HydrophobicContact CG1-CD2 4.35Å; V182-Y198 HydrophobicContact CG1-CE2 3.72Å; V182-Y198 HydrophobicContact CG2-CE2 4.06Å; V182-Y198 VanDerWaalsContact CG2-OH 3.3Å; V182-Y198 WeakPolarHBondContact CG2-OH 3.26Å; V182-M203 HydrophobicContact CB-SD 4.39Å; V182-M203 HydrophobicContact CG1-SD 4.3Å; V182-M203 HydrophobicContact CG2-SD 4.14Å
183G83.6Confident84Confident47 Ų4756.5 Ų56.549%0.48535%0.346SS..SBendtrans122.8-29.8-173.500000112.8R173 D181R173-G183 PolarHBondContact NH2-O 3.37Å; D181-G183 VanDerWaalsContact OD1-C 3.27Å; D181-G183 WeakPolarHBondContact OD1-CA 3.29Å; D181-G183 PolarHBondContact OD1-N 2.87Å
184G81.2Confident84.1Confident44 Ų4452 Ų5245%0.45433%0.329SS..SBendtrans179.2178.317500000111.5D181D181-G184 PolarHBondContact OD1-N 3.36Å
185G85.3Confident84.4Confident78 Ų7850.2 Ų50.280%0.80432%0.317SS*.SBendtrans97.2-142.1-174.600000112.4
186E89.6Confident84.8Confident111 Ų11150.5 Ų50.552%0.51932%0.318SS..  trans-70.3152.3176-68.5-173.717100112.2F188 H197E186-F188 HydrophobicContact CB-CE1 4.15Å; E186-F188 HydrophobicContact CB-CE2 4.03Å; E186-F188 HydrophobicContact CB-CZ 3.63Å; E186-H197 IonicContact OE2-CE1 2.87Å; E186-H197 PolarHBondContact OE2-CE1 2.94Å; E186-H197 IonicContact OE2-ND1 3.97Å; E186-H197 PolarHBondContact OE2-ND1 2.65Å
187K92Very high86.4Confident84 Ų8448 Ų4837%0.36528%0.281SS..  trans-106.7133.5169.4-77.5-169.8167-160.50110Q175 D177 K179 D181Q175-K187 VanDerWaalsContact CD-CE 3.47Å; D177-K187 VanDerWaalsContact CG-NZ 3.35Å; D177-K187 IonicContact OD1-NZ 3.26Å; D177-K187 PolarHBondContact OD1-NZ 2.89Å; D177-K187 IonicContact OD2-NZ 3.87Å; D177-K187 PolarHBondContact OD2-NZ 3.11Å; K179-K187 HydrophobicContact CB-CB 4.15Å; K179-K187 HydrophobicContact CB-CD 4.18Å; K179-K187 HydrophobicContact CD-CB 3.98Å; K179-K187 HydrophobicContact CD-CD 3.94Å; D181-K187 HydrophobicContact CB-CG 4.47Å
188F90.1Very high87.4Confident16 Ų1645.3 Ų45.37%0.0727%0.265CS..BIsolated β-bridgetrans-110.5145.9-175-57.1-81000112.7K179 Y180 E186 S190 D193 L194 H197 Y198K179-F188 CarbonylContact C-O 3.6Å; K179-F188 VanDerWaalsContact CA-O 3.28Å; K179-F188 WeakPolarHBondContact CA-O 3.46Å; K179-F188 WeakPolarHBondContact CB-O 3.27Å; Y180-F188 PolarHBondContact N-O 3.47Å; Y180-F188 WeakPolarHBondContact O-CD2 3.45Å; Y180-F188 PolarHBondContact O-N 3.37Å; E186-F188 HydrophobicContact CB-CE1 4.15Å; E186-F188 HydrophobicContact CB-CE2 4.03Å; E186-F188 HydrophobicContact CB-CZ 3.63Å; F188-S190 VanDerWaalsContact C-N 3.32Å; F188-D193 HydrophobicContact CB-CB 4.5Å; F188-D193 HydrophobicContact CD1-CB 4.46Å; F188-L194 HydrophobicContact CB-CB 3.88Å; F188-L194 HydrophobicContact CD1-CB 4.48Å; F188-L194 HydrophobicContact CD2-CB 3.66Å; F188-L194 HydrophobicContact CD2-CD1 3.86Å; F188-L194 HydrophobicContact CD2-CG 3.71Å; F188-L194 HydrophobicContact CE2-CB 4.36Å; F188-L194 HydrophobicContact CE2-CG 4.13Å; F188-L194 HydrophobicContact CG-CB 3.73Å; F188-L194 HydrophobicContact CG-CG 4.31Å; F188-H197 HydrophobicContact CD1-CB 4.4Å; F188-H197 HydrophobicContact CE1-CB 3.48Å; F188-H197 VanDerWaalsContact CE1-CB 3.48Å; F188-H197 AromaticContact CE1-CG 3.63Å; F188-H197 AromaticContact CE1-ND1 3.51Å; F188-H197 HydrophobicContact CZ-CB 3.68Å; F188-H197 AromaticContact CZ-CG 3.51Å; F188-H197 AromaticContact CZ-ND1 3.52Å; F188-Y198 AromaticContact CE2-CE2 3.82Å; F188-Y198 HydrophobicContact CE2-CE2 3.82Å; F188-Y198 HydrophobicContact CZ-CE2 4.27Å
189D84.8Confident88.2Confident100 Ų10042 Ų4254%0.53525%0.245SC..SBendtrans-80.5-9.2179.1-68.6-28000114K179K179-D189 IonicContact NZ-OD1 2.88Å; K179-D189 PolarHBondContact NZ-OD1 2.84Å
190S84.1Confident88.4Confident3 Ų346.1 Ų46.12%0.02126%0.263CS..SBendtrans-154.5159.2172.378.20000111.3F188 T192 D193 L194F188-S190 VanDerWaalsContact C-N 3.32Å; S190-T192 PolarHBondContact O-N 3.39Å; S190-T192 PolarHBondContact OG-N 3.25Å; S190-D193 PolarHBondContact O-N 3.43Å; S190-D193 PolarHBondContact OG-N 2.78Å; S190-D193 PolarHBondContact OG-OD2 2.66Å; S190-L194 PolarHBondContact O-N 2.86Å; S190-L194 VanDerWaalsContact O-N 3.13Å
191L84.1Confident88.5Confident1 Ų148.9 Ų48.91%0.00528%0.28CS..Hα-helixtrans-61.8-30.3170.1-66.3-177.2000112.3P107 W112 F113 V137 F147 I172 Y180 L194 V195P107-L191 HydrophobicContact CB-CB 4.29Å; P107-L191 HydrophobicContact CB-CD1 4.07Å; P107-L191 HydrophobicContact CG-CD1 3.94Å; W112-L191 HydrophobicContact CH2-CB 3.9Å; W112-L191 HydrophobicContact CZ3-CB 4.32Å; F113-L191 HydrophobicContact CD2-CD1 4.38Å; F113-L191 HydrophobicContact CE2-CD1 4.1Å; V137-L191 HydrophobicContact CG1-CD1 4.3Å; F147-L191 HydrophobicContact CB-CD1 4.32Å; F147-L191 HydrophobicContact CD1-CD1 3.81Å; F147-L191 HydrophobicContact CD2-CD1 3.86Å; F147-L191 HydrophobicContact CD2-CD2 4.2Å; F147-L191 HydrophobicContact CE1-CD1 4.07Å; F147-L191 HydrophobicContact CE2-CD1 4.13Å; F147-L191 HydrophobicContact CG-CD1 3.71Å; F147-L191 HydrophobicContact CG-CD2 4.42Å; F147-L191 HydrophobicContact CZ-CD1 4.22Å; I172-L191 HydrophobicContact CD1-CD2 4.33Å; I172-L191 HydrophobicContact CG2-CD2 3.61Å; Y180-L191 HydrophobicContact CD1-CD2 3.38Å; Y180-L191 HydrophobicContact CD1-CG 3.98Å; Y180-L191 HydrophobicContact CD2-CD2 4.39Å; Y180-L191 HydrophobicContact CE1-CD2 3.89Å; Y180-L191 HydrophobicContact CE1-CG 4.01Å; Y180-L191 HydrophobicContact CG-CD2 3.66Å; Y180-L191 HydrophobicContact CG-CG 4.25Å; L191-L194 PolarHBondContact O-N 3.25Å; L191-V195 WeakPolarHBondContact O-CB 3.34Å; L191-V195 WeakPolarHBondContact O-CG2 3.33Å; L191-V195 PolarHBondContact O-N 3.44Å
192T83.3Confident88.4Confident20 Ų2050.8 Ų50.812%0.12329%0.293CS..Hα-helixtrans-65.3-44.3175-64.90000111.5E110 S190 L194 V195 E196E110-T192 WeakPolarHBondContact OE1-CG2 3.46Å; E110-T192 PolarHBondContact OE1-OG1 3.47Å; S190-T192 PolarHBondContact O-N 3.39Å; S190-T192 PolarHBondContact OG-N 3.25Å; T192-L194 VanDerWaalsContact C-N 3.34Å; T192-V195 PolarHBondContact O-N 2.88Å; T192-E196 HydrophobicContact CG2-CG 4.4Å; T192-E196 WeakPolarHBondContact O-CB 3.49Å; T192-E196 WeakPolarHBondContact O-CG 3.36Å; T192-E196 PolarHBondContact O-N 3.48Å
193D87.9Confident88.3Confident54 Ų5450.6 Ų50.629%0.28929%0.29SS..Hα-helixtrans-67.7-36.3178.7-61.3-64.6000111.2R5 F188 S190 H197R5-D193 IonicContact CZ-OD1 3.48Å; R5-D193 VanDerWaalsContact NH1-CG 3.29Å; R5-D193 IonicContact NH1-OD1 2.78Å; R5-D193 PolarHBondContact NH1-OD1 3.21Å; R5-D193 IonicContact NH1-OD2 2.78Å; R5-D193 PolarHBondContact NH1-OD2 3.24Å; R5-D193 VanDerWaalsContact NH1-OD2 3.13Å; R5-D193 IonicContact NH2-OD1 3.85Å; F188-D193 HydrophobicContact CB-CB 4.5Å; F188-D193 HydrophobicContact CD1-CB 4.46Å; S190-D193 PolarHBondContact O-N 3.43Å; S190-D193 PolarHBondContact OG-N 2.78Å; S190-D193 PolarHBondContact OG-OD2 2.66Å; D193-H197 WeakPolarHBondContact O-CB 3.42Å; D193-H197 PolarHBondContact O-N 2.82Å
194L92.8Very high88.5Confident0 Ų052.9 Ų52.90%029%0.294CS..Hα-helixtrans-59.9-49.9170.8-175.9154.7000111.8I172 V182 F188 S190 L191 T192 H197 Y198I172-L194 HydrophobicContact CD1-CD2 3.86Å; I172-L194 HydrophobicContact CG1-CD1 4.27Å; I172-L194 HydrophobicContact CG1-CD2 4.21Å; I172-L194 HydrophobicContact CG2-CD1 3.64Å; V182-L194 HydrophobicContact CG1-CD1 4.25Å; V182-L194 HydrophobicContact CG1-CD2 4.33Å; F188-L194 HydrophobicContact CB-CB 3.88Å; F188-L194 HydrophobicContact CD1-CB 4.48Å; F188-L194 HydrophobicContact CD2-CB 3.66Å; F188-L194 HydrophobicContact CD2-CD1 3.86Å; F188-L194 HydrophobicContact CD2-CG 3.71Å; F188-L194 HydrophobicContact CE2-CB 4.36Å; F188-L194 HydrophobicContact CE2-CG 4.13Å; F188-L194 HydrophobicContact CG-CB 3.73Å; F188-L194 HydrophobicContact CG-CG 4.31Å; S190-L194 PolarHBondContact O-N 2.86Å; S190-L194 VanDerWaalsContact O-N 3.13Å; L191-L194 PolarHBondContact O-N 3.25Å; T192-L194 VanDerWaalsContact C-N 3.34Å; L194-H197 PolarHBondContact O-N 3.46Å; L194-Y198 HydrophobicContact CD2-CD2 3.79Å; L194-Y198 HydrophobicContact CD2-CE2 4.15Å; L194-Y198 HydrophobicContact CG-CD2 3.98Å; L194-Y198 HydrophobicContact CG-CE2 3.95Å; L194-Y198 VanDerWaalsContact O-CD2 3.23Å; L194-Y198 WeakPolarHBondContact O-CD2 3.42Å; L194-Y198 PolarHBondContact O-N 3.5Å
195V89.5Confident88.5Confident0 Ų052.7 Ų52.70%028%0.281CS..Hα-helixtrans-67-38.8-179.81660000111.6W112 F135 V137 L191 T192 Y198 K199W112-V195 HydrophobicContact CD2-CG1 4.18Å; W112-V195 HydrophobicContact CD2-CG2 4.28Å; W112-V195 HydrophobicContact CE3-CG2 4.02Å; W112-V195 HydrophobicContact CH2-CB 4.34Å; W112-V195 HydrophobicContact CH2-CG2 3.89Å; W112-V195 HydrophobicContact CZ2-CB 4.12Å; W112-V195 HydrophobicContact CZ2-CG1 4.3Å; W112-V195 HydrophobicContact CZ2-CG2 4.13Å; W112-V195 HydrophobicContact CZ3-CG2 3.83Å; F135-V195 HydrophobicContact CE2-CG1 3.74Å; F135-V195 HydrophobicContact CZ-CG1 4.01Å; V137-V195 HydrophobicContact CG2-CG2 4.07Å; L191-V195 WeakPolarHBondContact O-CB 3.34Å; L191-V195 WeakPolarHBondContact O-CG2 3.33Å; L191-V195 PolarHBondContact O-N 3.44Å; T192-V195 PolarHBondContact O-N 2.88Å; V195-Y198 PolarHBondContact O-N 3.06Å; V195-K199 HydrophobicContact CG1-CD 4.21Å; V195-K199 WeakPolarHBondContact O-CB 3.28Å; V195-K199 VanDerWaalsContact O-CG 3.26Å; V195-K199 WeakPolarHBondContact O-CG 3.36Å; V195-K199 PolarHBondContact O-N 3.14Å
196E86.3Confident88.2Confident73 Ų7356.4 Ų56.434%0.34129%0.289SS..Hα-helixtrans-72.5-24.5175.8-73-65.2136.500113.5T192 K199 K200T192-E196 HydrophobicContact CG2-CG 4.4Å; T192-E196 WeakPolarHBondContact O-CB 3.49Å; T192-E196 WeakPolarHBondContact O-CG 3.36Å; T192-E196 PolarHBondContact O-N 3.48Å; E196-K199 VanDerWaalsContact OE1-CD 3.27Å; E196-K199 WeakPolarHBondContact OE1-CD 3.29Å; E196-K199 IonicContact OE1-NZ 3Å; E196-K199 PolarHBondContact OE1-NZ 2.85Å; E196-K200 WeakPolarHBondContact O-CD 3.37Å; E196-K200 WeakPolarHBondContact O-CG 3.37Å
197H92.9Very high87.6Confident40 Ų4058.7 Ų58.719%0.18530%0.304CS..Hα-helixtrans-67.5-58.6165.1-178.3119.5000109.9E186 F188 D193 L194 K199 K200 N201E186-H197 IonicContact OE2-CE1 2.87Å; E186-H197 PolarHBondContact OE2-CE1 2.94Å; E186-H197 IonicContact OE2-ND1 3.97Å; E186-H197 PolarHBondContact OE2-ND1 2.65Å; F188-H197 HydrophobicContact CD1-CB 4.4Å; F188-H197 HydrophobicContact CE1-CB 3.48Å; F188-H197 VanDerWaalsContact CE1-CB 3.48Å; F188-H197 AromaticContact CE1-CG 3.63Å; F188-H197 AromaticContact CE1-ND1 3.51Å; F188-H197 HydrophobicContact CZ-CB 3.68Å; F188-H197 AromaticContact CZ-CG 3.51Å; F188-H197 AromaticContact CZ-ND1 3.52Å; D193-H197 WeakPolarHBondContact O-CB 3.42Å; D193-H197 PolarHBondContact O-N 2.82Å; L194-H197 PolarHBondContact O-N 3.46Å; H197-K199 PolarHBondContact O-N 2.95Å; H197-K200 PolarHBondContact O-N 2.9Å; H197-N201 PolarHBondContact CD2-ND2 3.39Å; H197-N201 PolarHBondContact CE1-ND2 2.8Å; H197-N201 VanDerWaalsContact CE1-ND2 3.27Å; H197-N201 PolarHBondContact NE2-ND2 2.94Å; H197-N201 PolarHBondContact O-N 2.84Å
198Y93.3Very high87Confident21 Ų2157.1 Ų57.18%0.08231%0.311CS..Hα-helixtrans-71.8-12.4-173.4-68.6-62000114.9V182 F188 L194 V195 N201 P202 M203V182-Y198 HydrophobicContact CG1-CD2 4.35Å; V182-Y198 HydrophobicContact CG1-CE2 3.72Å; V182-Y198 HydrophobicContact CG2-CE2 4.06Å; V182-Y198 VanDerWaalsContact CG2-OH 3.3Å; V182-Y198 WeakPolarHBondContact CG2-OH 3.26Å; F188-Y198 AromaticContact CE2-CE2 3.82Å; F188-Y198 HydrophobicContact CE2-CE2 3.82Å; F188-Y198 HydrophobicContact CZ-CE2 4.27Å; L194-Y198 HydrophobicContact CD2-CD2 3.79Å; L194-Y198 HydrophobicContact CD2-CE2 4.15Å; L194-Y198 HydrophobicContact CG-CD2 3.98Å; L194-Y198 HydrophobicContact CG-CE2 3.95Å; L194-Y198 VanDerWaalsContact O-CD2 3.23Å; L194-Y198 WeakPolarHBondContact O-CD2 3.42Å; L194-Y198 PolarHBondContact O-N 3.5Å; V195-Y198 PolarHBondContact O-N 3.06Å; Y198-N201 WeakPolarHBondContact CD1-O 3.29Å; Y198-N201 CarbonylContact O-C 3.55Å; Y198-P202 WeakPolarHBondContact O-CA 3.41Å; Y198-M203 HydrophobicContact CD1-CG 3.4Å; Y198-M203 VanDerWaalsContact CD1-CG 3.4Å; Y198-M203 HydrophobicContact CD1-SD 4.09Å; Y198-M203 HydrophobicContact CE1-CG 3.65Å; Y198-M203 HydrophobicContact CE1-SD 4.21Å; Y198-M203 HydrophobicContact CG-CE 4.28Å; Y198-M203 HydrophobicContact CG-CG 4.07Å; Y198-M203 HydrophobicContact CG-SD 4.29Å
199K89.3Confident86.7Confident60 Ų6058.2 Ų58.226%0.26132%0.319SS..Hα-helixtrans-65.2-39.2162.3-85168.3176.3163.30113.3V195 E196 H197 L213V195-K199 HydrophobicContact CG1-CD 4.21Å; V195-K199 WeakPolarHBondContact O-CB 3.28Å; V195-K199 VanDerWaalsContact O-CG 3.26Å; V195-K199 WeakPolarHBondContact O-CG 3.36Å; V195-K199 PolarHBondContact O-N 3.14Å; E196-K199 VanDerWaalsContact OE1-CD 3.27Å; E196-K199 WeakPolarHBondContact OE1-CD 3.29Å; E196-K199 IonicContact OE1-NZ 3Å; E196-K199 PolarHBondContact OE1-NZ 2.85Å; H197-K199 PolarHBondContact O-N 2.95Å; K199-L213 HydrophobicContact CG-CB 3.77Å; K199-L213 HydrophobicContact CG-CD1 4.44Å
200K91.1Very high86.8Confident152 Ų15256.6 Ų56.666%0.66131%0.313SS*.Hα-helixtrans-88.7-33.6-177.1-64.1169-170162.90111.7E196 H197 P202E196-K200 WeakPolarHBondContact O-CD 3.37Å; E196-K200 WeakPolarHBondContact O-CG 3.37Å; H197-K200 PolarHBondContact O-N 2.9Å; K200-P202 WeakPolarHBondContact O-CD 3.49Å
201N92Very high87.1Confident88 Ų8856.7 Ų56.747%0.47131%0.313SS..SBendtrans-119.677.8-179.6-54-29.9000109.2H197 Y198 M203H197-N201 PolarHBondContact CD2-ND2 3.39Å; H197-N201 PolarHBondContact CE1-ND2 2.8Å; H197-N201 VanDerWaalsContact CE1-ND2 3.27Å; H197-N201 PolarHBondContact NE2-ND2 2.94Å; H197-N201 PolarHBondContact O-N 2.84Å; Y198-N201 WeakPolarHBondContact CD1-O 3.29Å; Y198-N201 CarbonylContact O-C 3.55Å; N201-M203 PolarHBondContact O-N 3.25Å
202P90.9Very high87.4Confident43 Ų4360.7 Ų60.728%0.27933%0.331SS..  trans-58136.5-176-2736.6000113.1Y198 K200 V210 Q212Y198-P202 WeakPolarHBondContact O-CA 3.41Å; K200-P202 WeakPolarHBondContact O-CD 3.49Å; P202-V210 HydrophobicContact CB-CG1 3.57Å; P202-V210 HydrophobicContact CG-CG1 4.44Å; P202-Q212 HydrophobicContact CB-CG 4.19Å; P202-Q212 HydrophobicContact CG-CG 4.13Å
203M91.4Very high87.8Confident28 Ų2860.1 Ų60.114%0.13833%0.328CS..EExtended strand (participates in β ladder)trans-67.3151.6172.8-64.6175.8-76.800110.9L149 V170 V182 Y198 N201 L211L149-M203 HydrophobicContact CD2-CE 3.63Å; V170-M203 HydrophobicContact CB-CE 4.46Å; V170-M203 HydrophobicContact CG1-CE 4.24Å; V170-M203 HydrophobicContact CG1-SD 4.02Å; V170-M203 HydrophobicContact CG2-CE 4.09Å; V170-M203 HydrophobicContact CG2-SD 4.46Å; V182-M203 HydrophobicContact CB-SD 4.39Å; V182-M203 HydrophobicContact CG1-SD 4.3Å; V182-M203 HydrophobicContact CG2-SD 4.14Å; Y198-M203 HydrophobicContact CD1-CG 3.4Å; Y198-M203 VanDerWaalsContact CD1-CG 3.4Å; Y198-M203 HydrophobicContact CD1-SD 4.09Å; Y198-M203 HydrophobicContact CE1-CG 3.65Å; Y198-M203 HydrophobicContact CE1-SD 4.21Å; Y198-M203 HydrophobicContact CG-CE 4.28Å; Y198-M203 HydrophobicContact CG-CG 4.07Å; Y198-M203 HydrophobicContact CG-SD 4.29Å; N201-M203 PolarHBondContact O-N 3.25Å; M203-L211 HydrophobicContact CB-CB 4.3Å; M203-L211 HydrophobicContact CB-CD1 4.25Å; M203-L211 HydrophobicContact CE-CD1 4.38Å; M203-L211 PolarHBondContact O-N 2.94Å
204V87.1Confident87.7Confident94 Ų9462.4 Ų62.457%0.5734%0.335SS*.EExtended strand (participates in β ladder)trans-124.6124.8177.4-171.20000108.9T209 V210V204-T209 WeakPolarHBondContact CA-O 3.22Å; V204-V210 HydrophobicContact CG1-CG2 4.49Å; V204-V210 HydrophobicContact CG2-CG1 4.46Å; V204-V210 HydrophobicContact CG2-CG2 4.24Å
205E81.7Confident87.2Confident41 Ų4165.5 Ų65.519%0.19235%0.35CS..  trans-67.5157.3173.1-66.4179-175.400111.1K166 T168 L207 G208 T209 L211K166-E205 VanDerWaalsContact NZ-CD 3.32Å; K166-E205 IonicContact NZ-OE1 3.23Å; K166-E205 PolarHBondContact NZ-OE1 2.78Å; K166-E205 IonicContact NZ-OE2 2.67Å; K166-E205 PolarHBondContact NZ-OE2 2.88Å; T168-E205 WeakPolarHBondContact CB-OE1 3.45Å; T168-E205 VanDerWaalsContact CG2-OE1 3.26Å; T168-E205 WeakPolarHBondContact CG2-OE1 3.19Å; T168-E205 PolarHBondContact OG1-OE1 2.87Å; E205-L207 PolarHBondContact O-N 3.39Å; E205-G208 PolarHBondContact O-N 2.87Å; E205-T209 PolarHBondContact N-O 3.27Å; E205-T209 WeakPolarHBondContact OE2-CB 3.15Å; E205-T209 PolarHBondContact OE2-OG1 3.18Å; E205-L211 HydrophobicContact CG-CD1 4.46Å; E205-L211 HydrophobicContact CG-CD2 4.31Å; E205-L211 HydrophobicContact CG-CG 4.4Å
206T77.9Confident86.9Confident156 Ų15667.2 Ų67.296%0.95736%0.36SS*.THydrogen-bonded Turntrans-56-23.6175.9-37.90000113.6G208T206-G208 VanDerWaalsContact C-N 3.33Å
207L76.8Confident86.5Confident159 Ų15963.9 Ų63.983%0.83235%0.345SS*.THydrogen-bonded Turntrans-90.513.5175.1-60.3176.3000113.4E205 T209E205-L207 PolarHBondContact O-N 3.39Å; L207-T209 VanDerWaalsContact C-N 3.33Å; L207-T209 PolarHBondContact O-N 2.91Å
208G79.5Confident85.1Confident50 Ų5065 Ų6552%0.51535%0.352SS..SBendtrans79.41176.700000116.1E205 T206 V210E205-G208 PolarHBondContact O-N 2.87Å; T206-G208 VanDerWaalsContact C-N 3.33Å; G208-V210 PolarHBondContact O-N 2.65Å
209T83.9Confident83.9Confident39 Ų3965.9 Ų65.924%0.23936%0.36CS..  trans-68.5126.2175.7-58.20000110.5T153 K166 V204 E205 L207 L211T153-T209 HydrophobicContact CG2-CG2 4.24Å; K166-T209 PolarHBondContact NZ-OG1 3.19Å; V204-T209 WeakPolarHBondContact CA-O 3.22Å; E205-T209 PolarHBondContact N-O 3.27Å; E205-T209 WeakPolarHBondContact OE2-CB 3.15Å; E205-T209 PolarHBondContact OE2-OG1 3.18Å; L207-T209 VanDerWaalsContact C-N 3.33Å; L207-T209 PolarHBondContact O-N 2.91Å; T209-L211 HydrophobicContact CG2-CD2 4.35Å
210V87.7Confident83.4Confident67 Ų6763.7 Ų63.741%0.40635%0.352SS..EExtended strand (participates in β ladder)trans-92.4117.9177.5-1710000111P202 V204 G208 Q212P202-V210 HydrophobicContact CB-CG1 3.57Å; P202-V210 HydrophobicContact CG-CG1 4.44Å; V204-V210 HydrophobicContact CG1-CG2 4.49Å; V204-V210 HydrophobicContact CG2-CG1 4.46Å; V204-V210 HydrophobicContact CG2-CG2 4.24Å; G208-V210 PolarHBondContact O-N 2.65Å; V210-Q212 VanDerWaalsContact C-N 3.35Å; V210-Q212 HydrophobicContact CG1-CG 3.83Å; V210-Q212 PolarHBondContact O-N 3.3Å
211L89.9Confident82.8Confident4 Ų462.1 Ų62.12%0.02134%0.342CS..EExtended strand (participates in β ladder)trans-83.171.7-179.6-56.2-176.2000111.2T153 T168 V170 M203 E205 T209 L213T153-L211 HydrophobicContact CG2-CD2 3.84Å; T168-L211 HydrophobicContact CG2-CD1 3.96Å; T168-L211 HydrophobicContact CG2-CD2 4.1Å; V170-L211 HydrophobicContact CG2-CD1 3.64Å; M203-L211 HydrophobicContact CB-CB 4.3Å; M203-L211 HydrophobicContact CB-CD1 4.25Å; M203-L211 HydrophobicContact CE-CD1 4.38Å; M203-L211 PolarHBondContact O-N 2.94Å; E205-L211 HydrophobicContact CG-CD1 4.46Å; E205-L211 HydrophobicContact CG-CD2 4.31Å; E205-L211 HydrophobicContact CG-CG 4.4Å; T209-L211 HydrophobicContact CG2-CD2 4.35Å; L211-L213 PolarHBondContact O-N 2.79Å
212Q90.3Very high82.2Confident85 Ų8558.5 Ų58.540%0.39732%0.322SS..  trans-73.5114.3179.4-65.9-172-18.700112.2G133 P202 V210 K214G133-Q212 WeakPolarHBondContact CA-O 3.32Å; P202-Q212 HydrophobicContact CB-CG 4.19Å; P202-Q212 HydrophobicContact CG-CG 4.13Å; V210-Q212 VanDerWaalsContact C-N 3.35Å; V210-Q212 HydrophobicContact CG1-CG 3.83Å; V210-Q212 PolarHBondContact O-N 3.3Å; Q212-K214 HydrophobicContact CB-CG 4.02Å; Q212-K214 PolarHBondContact O-N 2.98Å
213L91.3Very high81.6Confident8 Ų858.6 Ų58.64%0.04232%0.32CS..  trans-79.361.8178.7-53.4-172.3000112.3F135 L149 V151 K199 L211F135-L213 HydrophobicContact CB-CD2 3.91Å; F135-L213 HydrophobicContact CD1-CB 3.71Å; F135-L213 HydrophobicContact CD1-CD2 4.26Å; F135-L213 HydrophobicContact CD2-CD2 4.41Å; F135-L213 HydrophobicContact CE1-CB 3.81Å; F135-L213 WeakPolarHBondContact CE1-O 3.42Å; F135-L213 HydrophobicContact CG-CB 4.18Å; F135-L213 HydrophobicContact CG-CD2 3.94Å; F135-L213 HydrophobicContact CZ-CB 4.35Å; L149-L213 HydrophobicContact CD1-CD2 4.11Å; L149-L213 HydrophobicContact CD2-CD1 4.03Å; L149-L213 HydrophobicContact CD2-CD2 4.2Å; V151-L213 HydrophobicContact CB-CD2 4.49Å; V151-L213 HydrophobicContact CG1-CD2 4.05Å; V151-L213 HydrophobicContact CG2-CD2 3.56Å; K199-L213 HydrophobicContact CG-CB 3.77Å; K199-L213 HydrophobicContact CG-CD1 4.44Å; L211-L213 PolarHBondContact O-N 2.79Å
214K87.3Confident81.1Confident103 Ų10357.2 Ų57.245%0.44831%0.314SS..  trans-65.4-46.8-171.8-62.1177.7-172.7163.30113.5G133 Q212G133-K214 PolarHBondContact O-N 3.17Å; Q212-K214 HydrophobicContact CB-CG 4.02Å; Q212-K214 PolarHBondContact O-N 2.98Å
215Q81.5Confident80.7Confident65 Ų6554.8 Ų54.830%0.30430%0.303SS..EExtended strand (participates in β ladder)trans-145.3140.7-178.861.8-82.8-27.400113.8N132 G133 S134 F135N132-Q215 PolarHBondContact O-NE2 3.38Å; G133-Q215 VanDerWaalsContact C-NE2 3.31Å; G133-Q215 PolarHBondContact O-N 3.22Å; S134-Q215 CarbonylContact C-O 3.54Å; S134-Q215 VanDerWaalsContact CA-O 3.27Å; S134-Q215 WeakPolarHBondContact CA-O 3.49Å; S134-Q215 PolarHBondContact OG-NE2 3.33Å; F135-Q215 WeakPolarHBondContact CD1-O 3.29Å; F135-Q215 PolarHBondContact N-O 2.88Å
216P83.1Confident80.5Confident35 Ų3557.7 Ų57.723%0.22732%0.317CS..EExtended strand (participates in β ladder)trans-54.6146.4163.1-27.136.9000112.1R111 W112 F135 N218R111-P216 HydrophobicContact CB-CB 4.19Å; W112-P216 HydrophobicContact CB-CB 3.89Å; W112-P216 HydrophobicContact CB-CG 4.15Å; F135-P216 HydrophobicContact CE1-CG 4.35Å; F135-P216 HydrophobicContact CZ-CG 4.15Å; F135-P216 CarbonylContact O-C 3.52Å; F135-P216 WeakPolarHBondContact O-CA 3.34Å; P216-N218 PolarHBondContact O-N 2.74Å
217L78.6Confident81Confident3 Ų350.4 Ų50.42%0.01627%0.272CS..  trans-77.2102.8169.3-173.769.2000110.7H114 L125 L126 K129 G130 F135 L136 T219H114-L217 PolarHBondContact NE2-O 3.39Å; L125-L217 HydrophobicContact CB-CD2 3.73Å; L126-L217 HydrophobicContact CD2-CB 4.2Å; L126-L217 HydrophobicContact CD2-CD1 4.33Å; L126-L217 HydrophobicContact CD2-CD2 3.97Å; L126-L217 HydrophobicContact CD2-CG 4.4Å; L126-L217 HydrophobicContact CG-CD2 4.1Å; K129-L217 HydrophobicContact CB-CD1 4.11Å; G130-L217 VanDerWaalsContact CA-CD1 3.48Å; F135-L217 PolarHBondContact O-N 2.82Å; L136-L217 HydrophobicContact CD2-CB 4.46Å; L136-L217 HydrophobicContact CD2-CD2 3.78Å; L217-T219 PolarHBondContact O-N 2.9Å; L217-T219 VanDerWaalsContact O-N 3.15Å
218N61.9Low81.4Confident64 Ų6446.6 Ų46.634%0.34225%0.25SC..  trans-72.8106.2177.1-62.7-39.9000111.4R111 P216 T220R111-N218 PolarHBondContact NE-OD1 3.34Å; R111-N218 PolarHBondContact NH2-OD1 3.11Å; P216-N218 PolarHBondContact O-N 2.74Å; N218-T220 VanDerWaalsContact C-N 3.31Å
219T68.1Low81.3Confident40 Ų4048 Ų4825%0.24525%0.252CS..THydrogen-bonded Turntrans-78.9-10.4169.633.90000114.1H114 L125 L217 R221H114-T219 WeakPolarHBondContact NE2-CB 3.47Å; H114-T219 WeakPolarHBondContact NE2-CG2 3.11Å; H114-T219 PolarHBondContact NE2-OG1 3.33Å; H114-T219 VanDerWaalsContact NE2-OG1 3.1Å; L125-T219 HydrophobicContact CD1-CG2 4.45Å; L217-T219 PolarHBondContact O-N 2.9Å; L217-T219 VanDerWaalsContact O-N 3.15Å; T219-R221 VanDerWaalsContact C-N 3.25Å; T219-R221 PolarHBondContact O-N 2.87Å
220T78.6Confident81.3Confident14 Ų1447.4 Ų47.49%0.08625%0.245CC..THydrogen-bonded Turntrans-72.6-13.1-17664.70000114.4R111 N218 E251 D490 P492R111-T220 PolarHBondContact NH2-OG1 3.39Å; R111-T220 VanDerWaalsContact NH2-OG1 3.08Å; N218-T220 VanDerWaalsContact C-N 3.31Å; T220-E251 HydrophobicContact CG2-CG 3.97Å; T220-E251 WeakPolarHBondContact CG2-OE2 3.29Å; T220-D490 WeakPolarHBondContact CB-OD1 3.23Å; T220-D490 PolarHBondContact OG1-OD1 3Å; T220-P492 VanDerWaalsContact CB-CG 3.48Å; T220-P492 HydrophobicContact CG2-CG 3.69Å
221R78.9Confident81.2Confident118 Ų11844.8 Ų44.845%0.44523%0.229SC..  trans-87.6128.2174176.6-177.4-105.2-130.7-18.6111K129 T219 D488 I489 D490K129-R221 PolarHBondContact NZ-O 3.32Å; T219-R221 VanDerWaalsContact C-N 3.25Å; T219-R221 PolarHBondContact O-N 2.87Å; R221-D488 VanDerWaalsContact CZ-CB 3.49Å; R221-D488 IonicContact CZ-OD1 2.87Å; R221-D488 IonicContact CZ-OD2 3.29Å; R221-D488 IonicContact NE-OD1 2.87Å; R221-D488 IonicContact NH1-OD1 2.91Å; R221-D488 PolarHBondContact NH1-OD1 2.83Å; R221-D488 VanDerWaalsContact NH1-OD1 3.12Å; R221-D488 IonicContact NH1-OD2 3.22Å; R221-D488 PolarHBondContact NH1-OD2 3.11Å; R221-D488 VanDerWaalsContact NH2-CB 3.25Å; R221-D488 VanDerWaalsContact NH2-CG 3.33Å; R221-D488 IonicContact NH2-OD1 2.88Å; R221-D488 IonicContact NH2-OD2 3.89Å; R221-D488 PolarHBondContact NH2-OD2 3.14Å; R221-D488 VanDerWaalsContact NH2-OD2 3.07Å; R221-I489 WeakPolarHBondContact CA-O 3.45Å; R221-D490 HydrophobicContact CB-CB 4.2Å
222I79.3Confident80.8Confident12 Ų1252 Ų526%0.06226%0.256CS..EExtended strand (participates in β ladder)trans-132.8163.617859.5168.2000110.4I227 R230 I489I222-I227 HydrophobicContact CD1-CB 4.34Å; I222-I227 HydrophobicContact CD1-CD1 3.8Å; I222-R230 HydrophobicContact CD1-CB 3.81Å; I222-R230 HydrophobicContact CD1-CG 4.07Å; I222-R230 HydrophobicContact CG2-CB 4.19Å; I222-R230 HydrophobicContact CG2-CG 4.05Å; I222-I489 HydrophobicContact CD1-CD1 4.16Å; I222-I489 HydrophobicContact CD1-CG1 4.14Å; I222-I489 HydrophobicContact CG1-CD1 4.31Å; I222-I489 HydrophobicContact CG1-CG1 3.73Å; I222-I489 PolarHBondContact N-O 3.27Å; I222-I489 PolarHBondContact O-N 2.99Å
223N78.4Confident80.2Confident45 Ų4552.5 Ų52.524%0.24126%0.259CS..EExtended strand (participates in β ladder)trans-72.6145.2160.6-169.7-77000109.3A225 E226 V485 D486 C487N223-A225 VanDerWaalsContact C-N 3.31Å; N223-A225 PolarHBondContact O-N 3.41Å; N223-A225 WeakPolarHBondContact OD1-CB 3.46Å; N223-A225 PolarHBondContact OD1-N 3.09Å; N223-E226 HydrophobicContact CB-CB 4.44Å; N223-E226 HydrophobicContact CB-CG 3.96Å; N223-E226 PolarHBondContact N-OE2 2.92Å; N223-E226 VanDerWaalsContact N-OE2 3.14Å; N223-E226 WeakPolarHBondContact O-CB 3.28Å; N223-E226 PolarHBondContact O-N 3.28Å; N223-V485 PolarHBondContact OD1-O 3.29Å; N223-V485 VanDerWaalsContact OD1-O 3.13Å; N223-D486 VanDerWaalsContact ND2-C 3.31Å; N223-D486 PolarHBondContact ND2-O 3.18Å; N223-C487 CarbonylContact C-O 3.51Å
224A80.6Confident79.8Confident0 Ų052.5 Ų52.50%026%0.259CS..G310 helixtrans-62-37.1179.900000112.1E226 I227 I480 V485 C487 I489 I523A224-E226 PolarHBondContact O-N 3.05Å; A224-E226 VanDerWaalsContact O-N 3.15Å; A224-I227 VanDerWaalsContact O-CB 3.3Å; A224-I227 WeakPolarHBondContact O-CB 3.4Å; A224-I227 WeakPolarHBondContact O-CG2 3.37Å; A224-I227 PolarHBondContact O-N 3.2Å; A224-I227 VanDerWaalsContact O-N 3.08Å; A224-I480 HydrophobicContact CB-CG1 4.22Å; A224-V485 WeakPolarHBondContact CB-O 3.22Å; A224-C487 PolarHBondContact N-O 3.43Å; A224-I489 HydrophobicContact CB-CD1 4Å; A224-I489 HydrophobicContact CB-CG1 4.21Å; A224-I489 HydrophobicContact CB-CG2 4.21Å; A224-I523 HydrophobicContact CB-CD1 3.87Å; A224-I523 WeakPolarHBondContact O-CD1 3.47Å
225A78.9Confident79.5Confident42 Ų4249.8 Ų49.835%0.34725%0.253SS..G310 helixtrans-62.8-18.6173.400000114N223 V485N223-A225 VanDerWaalsContact C-N 3.31Å; N223-A225 PolarHBondContact O-N 3.41Å; N223-A225 WeakPolarHBondContact OD1-CB 3.46Å; N223-A225 PolarHBondContact OD1-N 3.09Å; A225-V485 PolarHBondContact N-O 3.01Å
226E79.1Confident79.2Confident102 Ų10253.5 Ų53.548%0.47727%0.268SS..G310 helixtrans-87.2-0.1176.1-63.6175.7143.100113.6N223 A224 E228 S229 R230N223-E226 HydrophobicContact CB-CB 4.44Å; N223-E226 HydrophobicContact CB-CG 3.96Å; N223-E226 PolarHBondContact N-OE2 2.92Å; N223-E226 VanDerWaalsContact N-OE2 3.14Å; N223-E226 WeakPolarHBondContact O-CB 3.28Å; N223-E226 PolarHBondContact O-N 3.28Å; A224-E226 PolarHBondContact O-N 3.05Å; A224-E226 VanDerWaalsContact O-N 3.15Å; E226-E228 VanDerWaalsContact C-N 3.28Å; E226-E228 PolarHBondContact O-N 2.99Å; E226-S229 WeakPolarHBondContact O-CB 3.26Å; E226-S229 PolarHBondContact O-N 3.11Å; E226-R230 PolarHBondContact O-N 2.59Å
227I86.6Confident77.9Confident3 Ų358.8 Ų58.82%0.01529%0.294CS..Hα-helixtrans-53.4-41.6-174.3-172.163.5000113.1I222 A224 S229 R230 V231 I489 Y516 V519 Q520 I523I222-I227 HydrophobicContact CD1-CB 4.34Å; I222-I227 HydrophobicContact CD1-CD1 3.8Å; A224-I227 VanDerWaalsContact O-CB 3.3Å; A224-I227 WeakPolarHBondContact O-CB 3.4Å; A224-I227 WeakPolarHBondContact O-CG2 3.37Å; A224-I227 PolarHBondContact O-N 3.2Å; A224-I227 VanDerWaalsContact O-N 3.08Å; I227-S229 VanDerWaalsContact C-N 3.33Å; I227-S229 PolarHBondContact O-N 2.6Å; I227-R230 PolarHBondContact O-N 2.77Å; I227-V231 HydrophobicContact CD1-CG2 4.26Å; I227-V231 HydrophobicContact CG1-CG2 4.29Å; I227-V231 WeakPolarHBondContact O-CG2 3.47Å; I227-V231 PolarHBondContact O-N 2.84Å; I227-I489 HydrophobicContact CD1-CD1 4.22Å; I227-Y516 HydrophobicContact CD1-CD1 3.72Å; I227-Y516 HydrophobicContact CD1-CE1 4.3Å; I227-V519 HydrophobicContact CD1-CG1 4.39Å; I227-V519 HydrophobicContact CG1-CG1 4.26Å; I227-Q520 HydrophobicContact CG1-CB 3.98Å; I227-Q520 HydrophobicContact CG2-CB 4.23Å; I227-Q520 HydrophobicContact CG2-CG 4.41Å; I227-I523 HydrophobicContact CB-CD1 4.36Å; I227-I523 HydrophobicContact CG2-CB 4.32Å; I227-I523 HydrophobicContact CG2-CD1 3.8Å; I227-I523 HydrophobicContact CG2-CG2 4.34Å
228E86.1Confident76.6Confident80 Ų8059.7 Ų59.737%0.37430%0.301SS..Hα-helixtrans-63.8-40.8-178.8-159.5-104.9125.200110.9E226 V231 R232E226-E228 VanDerWaalsContact C-N 3.28Å; E226-E228 PolarHBondContact O-N 2.99Å; E228-V231 PolarHBondContact O-N 3.39Å; E228-R232 VanDerWaalsContact CD-NH2 3.25Å; E228-R232 VanDerWaalsContact O-CB 3.26Å; E228-R232 WeakPolarHBondContact O-CB 3.21Å; E228-R232 PolarHBondContact O-N 3.26Å; E228-R232 IonicContact OE1-CZ 2.75Å; E228-R232 IonicContact OE1-NE 2.71Å; E228-R232 PolarHBondContact OE1-NE 3.06Å; E228-R232 IonicContact OE1-NH2 2.94Å; E228-R232 PolarHBondContact OE1-NH2 3.43Å; E228-R232 IonicContact OE2-NH2 3.1Å; E228-R232 PolarHBondContact OE2-NH2 3.15Å
229S77.3Confident75.3Confident79 Ų7965.4 Ų65.455%0.55233%0.326SS*.Hα-helixtrans-63.5-44.5173.3-168.90000111.7E226 I227 R232 E233E226-S229 WeakPolarHBondContact O-CB 3.26Å; E226-S229 PolarHBondContact O-N 3.11Å; I227-S229 VanDerWaalsContact C-N 3.33Å; I227-S229 PolarHBondContact O-N 2.6Å; S229-R232 PolarHBondContact O-N 2.94Å; S229-E233 WeakPolarHBondContact O-CB 3.4Å; S229-E233 PolarHBondContact O-N 3.47Å
230R83.2Confident74Confident26 Ų2668.5 Ų68.510%0.09836%0.356CS..Hα-helixtrans-67.6-37.6178.1-176.557.4175.9169.53112.6I222 E226 I227 E233 L234 E251 Y516I222-R230 HydrophobicContact CD1-CB 3.81Å; I222-R230 HydrophobicContact CD1-CG 4.07Å; I222-R230 HydrophobicContact CG2-CB 4.19Å; I222-R230 HydrophobicContact CG2-CG 4.05Å; E226-R230 PolarHBondContact O-N 2.59Å; I227-R230 PolarHBondContact O-N 2.77Å; R230-E233 VanDerWaalsContact CD-OE2 3.27Å; R230-E233 WeakPolarHBondContact CD-OE2 3.32Å; R230-E233 IonicContact CZ-OE2 2.6Å; R230-E233 IonicContact NE-OE2 2.89Å; R230-E233 IonicContact NH1-OE1 3.8Å; R230-E233 PolarHBondContact NH1-OE1 3.03Å; R230-E233 IonicContact NH1-OE2 3.02Å; R230-E233 PolarHBondContact NH1-OE2 3.4Å; R230-E233 PolarHBondContact O-N 3.11Å; R230-L234 HydrophobicContact CG-CD1 3.93Å; R230-L234 HydrophobicContact CG-CG 4.37Å; R230-L234 WeakPolarHBondContact O-CB 3.18Å; R230-L234 WeakPolarHBondContact O-CG 3.4Å; R230-L234 PolarHBondContact O-N 3.34Å; R230-E251 IonicContact CZ-OE2 3.36Å; R230-E251 IonicContact NE-OE2 2.66Å; R230-E251 IonicContact NH2-OE2 3.07Å; R230-E251 PolarHBondContact NH2-OE2 3.48Å; R230-Y516 HydrophobicContact CG-CE1 4.08Å
231V86.5Confident72.1Confident13 Ų1372 Ų728%0.07938%0.377CS..Hα-helixtrans-67.1-40.6173.91730000110.8I227 E228 E233 L234 S235 F248 Y516 Q520I227-V231 HydrophobicContact CD1-CG2 4.26Å; I227-V231 HydrophobicContact CG1-CG2 4.29Å; I227-V231 WeakPolarHBondContact O-CG2 3.47Å; I227-V231 PolarHBondContact O-N 2.84Å; E228-V231 PolarHBondContact O-N 3.39Å; V231-E233 VanDerWaalsContact C-N 3.32Å; V231-E233 PolarHBondContact O-N 2.83Å; V231-L234 PolarHBondContact O-N 2.91Å; V231-S235 WeakPolarHBondContact O-CB 3.14Å; V231-S235 PolarHBondContact O-N 2.9Å; V231-S235 PolarHBondContact O-OG 3.04Å; V231-F248 HydrophobicContact CG1-CE2 4.38Å; V231-F248 HydrophobicContact CG1-CZ 4.14Å; V231-F248 HydrophobicContact CG2-CZ 4.32Å; V231-Y516 HydrophobicContact CG2-CD1 4.04Å; V231-Y516 HydrophobicContact CG2-CG 4.47Å; V231-Q520 VanDerWaalsContact CG1-OE1 3.29Å
232R81.8Confident70.3Confident154 Ų15474 Ų7458%0.58140%0.397SS*.Hα-helixtrans-63.5-37.9175.1-161.7-171.2-61.41791.1111.8E228 S229E228-R232 VanDerWaalsContact CD-NH2 3.25Å; E228-R232 VanDerWaalsContact O-CB 3.26Å; E228-R232 WeakPolarHBondContact O-CB 3.21Å; E228-R232 PolarHBondContact O-N 3.26Å; E228-R232 IonicContact OE1-CZ 2.75Å; E228-R232 IonicContact OE1-NE 2.71Å; E228-R232 PolarHBondContact OE1-NE 3.06Å; E228-R232 IonicContact OE1-NH2 2.94Å; E228-R232 PolarHBondContact OE1-NH2 3.43Å; E228-R232 IonicContact OE2-NH2 3.1Å; E228-R232 PolarHBondContact OE2-NH2 3.15Å; S229-R232 PolarHBondContact O-N 2.94Å
233E77.8Confident68.7Low97 Ų9778.6 Ų78.645%0.45342%0.416SS..Hα-helixtrans-65.7-55173-170.6-161.4165.200111.9S229 R230 V231 S235 K236S229-E233 WeakPolarHBondContact O-CB 3.4Å; S229-E233 PolarHBondContact O-N 3.47Å; R230-E233 VanDerWaalsContact CD-OE2 3.27Å; R230-E233 WeakPolarHBondContact CD-OE2 3.32Å; R230-E233 IonicContact CZ-OE2 2.6Å; R230-E233 IonicContact NE-OE2 2.89Å; R230-E233 IonicContact NH1-OE1 3.8Å; R230-E233 PolarHBondContact NH1-OE1 3.03Å; R230-E233 IonicContact NH1-OE2 3.02Å; R230-E233 PolarHBondContact NH1-OE2 3.4Å; R230-E233 PolarHBondContact O-N 3.11Å; V231-E233 VanDerWaalsContact C-N 3.32Å; V231-E233 PolarHBondContact O-N 2.83Å; E233-S235 PolarHBondContact O-N 3.1Å; E233-S235 VanDerWaalsContact O-N 3.17Å; E233-K236 WeakPolarHBondContact O-CB 3.03Å; E233-K236 PolarHBondContact O-N 3.36Å
234L82.3Confident67.2Low7 Ų782.6 Ų82.64%0.03744%0.442CS..Hα-helixtrans-64.8-16.9179.9-72.5172.1000113.8R230 V231 F248 E251 Y516R230-L234 HydrophobicContact CG-CD1 3.93Å; R230-L234 HydrophobicContact CG-CG 4.37Å; R230-L234 WeakPolarHBondContact O-CB 3.18Å; R230-L234 WeakPolarHBondContact O-CG 3.4Å; R230-L234 PolarHBondContact O-N 3.34Å; V231-L234 PolarHBondContact O-N 2.91Å; L234-F248 HydrophobicContact CB-CD1 3.95Å; L234-F248 HydrophobicContact CB-CD2 3.68Å; L234-F248 HydrophobicContact CB-CE1 3.9Å; L234-F248 HydrophobicContact CB-CE2 3.63Å; L234-F248 HydrophobicContact CB-CG 3.83Å; L234-F248 HydrophobicContact CB-CZ 3.75Å; L234-F248 HydrophobicContact CD1-CD1 3.88Å; L234-F248 HydrophobicContact CD1-CE1 3.61Å; L234-F248 HydrophobicContact CD1-CZ 4.11Å; L234-F248 HydrophobicContact CG-CD1 4.43Å; L234-F248 HydrophobicContact CG-CE1 4.39Å; L234-F248 WeakPolarHBondContact O-CD2 3.21Å; L234-F248 PolarHBondContact O-N 3.23Å; L234-F248 VanDerWaalsContact O-N 3.09Å; L234-E251 HydrophobicContact CD2-CB 4.33Å; L234-Y516 HydrophobicContact CD1-CD1 4.05Å; L234-Y516 HydrophobicContact CD1-CE1 3.6Å
235S81.8Confident66.1Low47 Ų4785.7 Ų85.733%0.32946%0.455SS..THydrogen-bonded Turntrans-87.9-7.6174.8-61.70000114.2V231 E233 L237 R513V231-S235 WeakPolarHBondContact O-CB 3.14Å; V231-S235 PolarHBondContact O-N 2.9Å; V231-S235 PolarHBondContact O-OG 3.04Å; E233-S235 PolarHBondContact O-N 3.1Å; E233-S235 VanDerWaalsContact O-N 3.17Å; S235-L237 PolarHBondContact O-N 3.47Å; S235-R513 PolarHBondContact OG-NH2 2.76Å
236K74.6Confident65.4Low143 Ų14387.7 Ų87.762%0.62246%0.457SS*.  trans-66.1132.8177.4-68.9179.8-178.9177.60110.4E233E233-K236 WeakPolarHBondContact O-CB 3.03Å; E233-K236 PolarHBondContact O-N 3.36Å
237L55.9Low65.5Low146 Ų14683.4 Ų83.476%0.76444%0.441SS*.  trans-76158.2167-72167.7000110S235 E239S235-L237 PolarHBondContact O-N 3.47Å; L237-E239 VanDerWaalsContact C-N 3.29Å; L237-E239 PolarHBondContact O-N 2.99Å
238A50.4Low65.5Low21 Ų2183.4 Ų83.417%0.17444%0.441CS..  trans-70.980.1175.500000111.3A240 K243 Q246A238-A240 PolarHBondContact O-N 3.42Å; A238-K243 VanDerWaalsContact CB-O 3.31Å; A238-K243 WeakPolarHBondContact CB-O 3.29Å; A238-Q246 VanDerWaalsContact CA-OE1 3.29Å; A238-Q246 HydrophobicContact CB-CB 4.33Å; A238-Q246 VanDerWaalsContact CB-CD 3.46Å; A238-Q246 HydrophobicContact CB-CG 3.82Å
239E36.4Very low65.5Low184 Ų18480.9 Ų80.986%0.8643%0.428SS*.THydrogen-bonded Turntrans-60.3130172.2-67.8-174.7166.900109.8L237L237-E239 VanDerWaalsContact C-N 3.29Å; L237-E239 PolarHBondContact O-N 2.99Å
240A38.8Very low65.6Low106 Ų10680.1 Ų80.188%0.87642%0.415SS*.THydrogen-bonded Turntrans72.913.3175.600000120.2A238A238-A240 PolarHBondContact O-N 3.42Å
241T39Very low65.7Low86 Ų8679.5 Ų79.553%0.52841%0.414SS..SBendtrans-138.8153.8162.561.30000114.2K243T241-K243 PolarHBondContact O-N 3.09Å
242D41.5Very low65.8Low162 Ų16279 Ų7987%0.86641%0.411SS*.SBendtrans-71.317.9-177.9-150.917.2000114.1V244D242-V244 PolarHBondContact O-N 3.2Å
243K45.4Very low65.9Low108 Ų10871.8 Ų71.847%0.4738%0.384SS..  trans-94.688.8178.5-68.2-176.5-179.4178.20109.3A238 T241 K245A238-K243 VanDerWaalsContact CB-O 3.31Å; A238-K243 WeakPolarHBondContact CB-O 3.29Å; T241-K243 PolarHBondContact O-N 3.09Å; K243-K245 PolarHBondContact O-N 2.8Å
244V48.2Very low66Low128 Ų12868.3 Ų68.378%0.77637%0.369SS*.  trans-60.36.8-171.4-174.20000115.6D242D242-V244 PolarHBondContact O-N 3.2Å
245K56.8Low66.2Low66 Ų6668.4 Ų68.429%0.28737%0.369SS..  trans-146.1122-177.4-53-174.4-173.2178.80111.8K243 W249K243-K245 PolarHBondContact O-N 2.8Å; K245-W249 HydrophobicContact CB-CB 4.38Å; K245-W249 HydrophobicContact CB-CD2 3.8Å; K245-W249 HydrophobicContact CB-CE3 3.36Å; K245-W249 HydrophobicContact CB-CG 4.23Å; K245-W249 HydrophobicContact CB-CZ3 3.88Å; K245-W249 HydrophobicContact CD-CD2 3.32Å; K245-W249 VanDerWaalsContact CD-CE2 3.44Å; K245-W249 HydrophobicContact CD-CE3 3.56Å; K245-W249 HydrophobicContact CD-CG 3.8Å; K245-W249 HydrophobicContact CD-CH2 3.91Å; K245-W249 HydrophobicContact CD-CZ2 3.75Å; K245-W249 HydrophobicContact CD-CZ3 3.84Å; K245-W249 HydrophobicContact CG-CD2 4.21Å; K245-W249 HydrophobicContact CG-CE3 4.15Å
246Q64.3Low66.3Low83 Ų8366.1 Ų66.139%0.38835%0.354SS..  trans-139.7171.8169.3-82.9-173.7-12.600111A238 F248 E250A238-Q246 VanDerWaalsContact CA-OE1 3.29Å; A238-Q246 HydrophobicContact CB-CB 4.33Å; A238-Q246 VanDerWaalsContact CB-CD 3.46Å; A238-Q246 HydrophobicContact CB-CG 3.82Å; Q246-F248 PolarHBondContact O-N 2.91Å; Q246-E250 WeakPolarHBondContact CA-OE2 3.39Å; Q246-E250 WeakPolarHBondContact CB-OE2 3.42Å
247G81.8Confident66.3Low13 Ų1361.5 Ų61.513%0.13433%0.334CS..THydrogen-bonded Turntrans73.9-118.9169.600000112.9W249 E250 E251G247-W249 PolarHBondContact O-N 2.88Å; G247-W249 VanDerWaalsContact O-N 3.08Å; G247-E250 PolarHBondContact N-OE2 3.04Å; G247-E250 PolarHBondContact O-N 2.85Å; G247-E251 PolarHBondContact O-N 3.43Å; G247-E251 VanDerWaalsContact O-N 3.08Å
248F86.7Confident67.4Low3 Ų355.6 Ų55.61%0.01330%0.302CS..Hα-helixtrans-48.7-38.7-177.7-84-63.8000113.8V231 L234 Q246 F252 Y512 R513 Y516V231-F248 HydrophobicContact CG1-CE2 4.38Å; V231-F248 HydrophobicContact CG1-CZ 4.14Å; V231-F248 HydrophobicContact CG2-CZ 4.32Å; L234-F248 HydrophobicContact CB-CD1 3.95Å; L234-F248 HydrophobicContact CB-CD2 3.68Å; L234-F248 HydrophobicContact CB-CE1 3.9Å; L234-F248 HydrophobicContact CB-CE2 3.63Å; L234-F248 HydrophobicContact CB-CG 3.83Å; L234-F248 HydrophobicContact CB-CZ 3.75Å; L234-F248 HydrophobicContact CD1-CD1 3.88Å; L234-F248 HydrophobicContact CD1-CE1 3.61Å; L234-F248 HydrophobicContact CD1-CZ 4.11Å; L234-F248 HydrophobicContact CG-CD1 4.43Å; L234-F248 HydrophobicContact CG-CE1 4.39Å; L234-F248 WeakPolarHBondContact O-CD2 3.21Å; L234-F248 PolarHBondContact O-N 3.23Å; L234-F248 VanDerWaalsContact O-N 3.09Å; Q246-F248 PolarHBondContact O-N 2.91Å; F248-F252 VanDerWaalsContact O-CB 3.3Å; F248-F252 WeakPolarHBondContact O-CB 3.39Å; F248-F252 PolarHBondContact O-N 2.76Å; F248-Y512 HydrophobicContact CD1-CD1 4.08Å; F248-Y512 HydrophobicContact CD1-CE1 4.17Å; F248-R513 HydrophobicContact CD1-CB 4.14Å; F248-R513 HydrophobicContact CD1-CG 4.28Å; F248-R513 HydrophobicContact CD2-CG 3.94Å; F248-R513 HydrophobicContact CE1-CB 4.32Å; F248-R513 HydrophobicContact CE1-CG 4.18Å; F248-R513 HydrophobicContact CE2-CG 3.82Å; F248-R513 HydrophobicContact CG-CB 4.25Å; F248-R513 HydrophobicContact CG-CG 4.18Å; F248-R513 HydrophobicContact CZ-CG 3.95Å; F248-Y516 HydrophobicContact CE1-CD1 4.09Å; F248-Y516 AromaticContact CE1-CD2 3.89Å; F248-Y516 HydrophobicContact CE1-CD2 3.89Å; F248-Y516 HydrophobicContact CE1-CE2 4.44Å; F248-Y516 AromaticContact CE1-CG 3.68Å; F248-Y516 HydrophobicContact CE1-CG 3.68Å; F248-Y516 HydrophobicContact CZ-CG 4.3Å
249W84.8Confident68.7Low27 Ų2755 Ų5510%0.10230%0.296CS..Hα-helixtrans-73.4-37.9-178.8-17976.5000113.4P9 P33 K245 G247 F252 E253 E509P9-W249 HydrophobicContact CB-CH2 3.68Å; P9-W249 HydrophobicContact CB-CZ2 4.48Å; P9-W249 HydrophobicContact CB-CZ3 4.45Å; P9-W249 WeakPolarHBondContact O-CH2 3.48Å; P33-W249 HydrophobicContact CG-CH2 4.45Å; P33-W249 HydrophobicContact CG-CZ2 3.76Å; K245-W249 HydrophobicContact CB-CB 4.38Å; K245-W249 HydrophobicContact CB-CD2 3.8Å; K245-W249 HydrophobicContact CB-CE3 3.36Å; K245-W249 HydrophobicContact CB-CG 4.23Å; K245-W249 HydrophobicContact CB-CZ3 3.88Å; K245-W249 HydrophobicContact CD-CD2 3.32Å; K245-W249 VanDerWaalsContact CD-CE2 3.44Å; K245-W249 HydrophobicContact CD-CE3 3.56Å; K245-W249 HydrophobicContact CD-CG 3.8Å; K245-W249 HydrophobicContact CD-CH2 3.91Å; K245-W249 HydrophobicContact CD-CZ2 3.75Å; K245-W249 HydrophobicContact CD-CZ3 3.84Å; K245-W249 HydrophobicContact CG-CD2 4.21Å; K245-W249 HydrophobicContact CG-CE3 4.15Å; G247-W249 PolarHBondContact O-N 2.88Å; G247-W249 VanDerWaalsContact O-N 3.08Å; W249-F252 PolarHBondContact O-N 3.19Å; W249-E253 HydrophobicContact CD2-CG 4.22Å; W249-E253 HydrophobicContact CH2-CG 4.34Å; W249-E253 HydrophobicContact CZ2-CG 3.61Å; W249-E253 PolarHBondContact O-N 2.93Å; W249-E509 HydrophobicContact CB-CG 4.31Å
250E78.8Confident70.6Confident62 Ų6246.7 Ų46.729%0.2926%0.258SS..Hα-helixtrans-68.4-43.1177.6-67.1172.9128.100110.7Q246 G247 F252 E253 T254Q246-E250 WeakPolarHBondContact CA-OE2 3.39Å; Q246-E250 WeakPolarHBondContact CB-OE2 3.42Å; G247-E250 PolarHBondContact N-OE2 3.04Å; G247-E250 PolarHBondContact O-N 2.85Å; E250-F252 VanDerWaalsContact C-N 3.34Å; E250-F252 PolarHBondContact O-N 3.27Å; E250-E253 PolarHBondContact O-N 2.83Å; E250-T254 WeakPolarHBondContact O-CB 3.34Å; E250-T254 PolarHBondContact O-N 2.77Å; E250-T254 PolarHBondContact O-OG1 3.12Å
251E85.2Confident72.3Confident13 Ų1348.5 Ų48.56%0.06125%0.246CC..Hα-helixtrans-63.5-40.5176.3-158.4-17860.500111.2T220 R230 L234 G247 L255 P492 Y512 Y516T220-E251 HydrophobicContact CG2-CG 3.97Å; T220-E251 WeakPolarHBondContact CG2-OE2 3.29Å; R230-E251 IonicContact CZ-OE2 3.36Å; R230-E251 IonicContact NE-OE2 2.66Å; R230-E251 IonicContact NH2-OE2 3.07Å; R230-E251 PolarHBondContact NH2-OE2 3.48Å; L234-E251 HydrophobicContact CD2-CB 4.33Å; G247-E251 PolarHBondContact O-N 3.43Å; G247-E251 VanDerWaalsContact O-N 3.08Å; E251-L255 PolarHBondContact O-N 3.3Å; E251-L255 VanDerWaalsContact O-N 3.12Å; E251-P492 HydrophobicContact CG-CG 4.49Å; E251-Y512 HydrophobicContact CB-CE1 4.33Å; E251-Y512 HydrophobicContact CG-CE1 4.48Å; E251-Y512 WeakPolarHBondContact CG-OH 3.22Å; E251-Y512 WeakPolarHBondContact OE1-CE1 3.4Å; E251-Y512 PolarHBondContact OE1-OH 2.83Å; E251-Y516 PolarHBondContact OE1-OH 3.16Å; E251-Y516 PolarHBondContact OE2-OH 3.46Å
252F89.2Confident74.4Confident4 Ų445.3 Ų45.32%0.01823%0.226CC..Hα-helixtrans-66.5-48.2174.8-175.2-110.6000112.8F248 W249 E250 T254 L255 Q256 E509 Y512F248-F252 VanDerWaalsContact O-CB 3.3Å; F248-F252 WeakPolarHBondContact O-CB 3.39Å; F248-F252 PolarHBondContact O-N 2.76Å; W249-F252 PolarHBondContact O-N 3.19Å; E250-F252 VanDerWaalsContact C-N 3.34Å; E250-F252 PolarHBondContact O-N 3.27Å; F252-T254 VanDerWaalsContact C-N 3.26Å; F252-T254 PolarHBondContact O-N 2.82Å; F252-L255 CarbonylContact O-C 3.41Å; F252-L255 WeakPolarHBondContact O-CA 3.37Å; F252-L255 WeakPolarHBondContact O-CB 3.5Å; F252-L255 PolarHBondContact O-N 3.04Å; F252-L255 VanDerWaalsContact O-N 3.09Å; F252-Q256 HydrophobicContact CD1-CG 4.02Å; F252-Q256 HydrophobicContact CE1-CG 3.77Å; F252-Q256 HydrophobicContact CZ-CG 4.11Å; F252-Q256 WeakPolarHBondContact O-CG 3.07Å; F252-Q256 PolarHBondContact O-N 2.76Å; F252-E509 HydrophobicContact CB-CB 4.42Å; F252-E509 HydrophobicContact CD1-CB 3.82Å; F252-E509 HydrophobicContact CE1-CB 4.37Å; F252-E509 HydrophobicContact CG-CB 4.19Å; F252-Y512 HydrophobicContact CB-CD1 4.14Å; F252-Y512 HydrophobicContact CB-CG 4.18Å; F252-Y512 HydrophobicContact CD2-CD1 4.43Å; F252-Y512 AromaticContact CD2-CD2 3.61Å; F252-Y512 HydrophobicContact CD2-CD2 3.61Å; F252-Y512 HydrophobicContact CD2-CE2 4.39Å; F252-Y512 AromaticContact CD2-CG 3.63Å; F252-Y512 HydrophobicContact CD2-CG 3.63Å; F252-Y512 HydrophobicContact CE2-CD2 4.33Å; F252-Y512 HydrophobicContact CE2-CG 4.47Å; F252-Y512 HydrophobicContact CG-CG 4.27Å
253E83.9Confident76.4Confident2 Ų239.7 Ų39.71%0.00920%0.196CC..Hα-helixtrans-66.2-29.1177.7-76.7-66.8172.300113R4 F7 W249 E250 L255 Q256 Q257R4-E253 IonicContact CZ-OE2 3.65Å; R4-E253 VanDerWaalsContact CZ-OE2 3.32Å; R4-E253 IonicContact NH1-OE2 2.82Å; R4-E253 PolarHBondContact NH1-OE2 2.62Å; R4-E253 IonicContact NH2-OE2 2.72Å; R4-E253 PolarHBondContact NH2-OE2 3.13Å; F7-E253 HydrophobicContact CE1-CG 4.39Å; F7-E253 VanDerWaalsContact CE1-OE2 3.22Å; F7-E253 WeakPolarHBondContact CE1-OE2 3.45Å; F7-E253 WeakPolarHBondContact CZ-OE1 3.26Å; F7-E253 WeakPolarHBondContact CZ-OE2 3.27Å; W249-E253 HydrophobicContact CD2-CG 4.22Å; W249-E253 HydrophobicContact CH2-CG 4.34Å; W249-E253 HydrophobicContact CZ2-CG 3.61Å; W249-E253 PolarHBondContact O-N 2.93Å; E250-E253 PolarHBondContact O-N 2.83Å; E253-L255 VanDerWaalsContact C-N 3.31Å; E253-Q256 CarbonylContact O-C 3.57Å; E253-Q256 WeakPolarHBondContact O-CB 3.38Å; E253-Q256 PolarHBondContact O-N 2.92Å; E253-Q256 VanDerWaalsContact O-N 3.16Å; E253-Q256 WeakPolarHBondContact OE2-CB 3.2Å; E253-Q257 PolarHBondContact O-N 3.14Å
254T81.3Confident78.6Confident23 Ų2338.9 Ų38.914%0.14119%0.191CC..Hα-helixtrans-65.9-33.6172.2-61.90000112.1S109 R111 E250 F252 Q258S109-T254 WeakPolarHBondContact O-CA 3.35Å; S109-T254 PolarHBondContact O-OG1 2.93Å; R111-T254 HydrophobicContact CB-CG2 4.3Å; R111-T254 HydrophobicContact CG-CG2 3.48Å; R111-T254 VanDerWaalsContact CG-CG2 3.48Å; E250-T254 WeakPolarHBondContact O-CB 3.34Å; E250-T254 PolarHBondContact O-N 2.77Å; E250-T254 PolarHBondContact O-OG1 3.12Å; F252-T254 VanDerWaalsContact C-N 3.26Å; F252-T254 PolarHBondContact O-N 2.82Å; T254-Q258 PolarHBondContact O-NE2 3.48Å
255L85.4Confident80.8Confident9 Ų935.2 Ų35.25%0.04717%0.171CC..Hα-helixtrans-70.9-43.2166.4174.365000111.6E251 F252 E253 Q257 Q258 P492 I495 Q496 Y512E251-L255 PolarHBondContact O-N 3.3Å; E251-L255 VanDerWaalsContact O-N 3.12Å; F252-L255 CarbonylContact O-C 3.41Å; F252-L255 WeakPolarHBondContact O-CA 3.37Å; F252-L255 WeakPolarHBondContact O-CB 3.5Å; F252-L255 PolarHBondContact O-N 3.04Å; F252-L255 VanDerWaalsContact O-N 3.09Å; E253-L255 VanDerWaalsContact C-N 3.31Å; L255-Q257 VanDerWaalsContact C-N 3.26Å; L255-Q257 PolarHBondContact O-N 3.05Å; L255-Q258 WeakPolarHBondContact O-CB 3.34Å; L255-Q258 PolarHBondContact O-N 3.33Å; L255-P492 HydrophobicContact CB-CB 4.34Å; L255-P492 HydrophobicContact CD1-CB 4.34Å; L255-P492 WeakPolarHBondContact CD1-O 3.15Å; L255-P492 HydrophobicContact CD2-CB 4.13Å; L255-I495 HydrophobicContact CD2-CB 3.94Å; L255-I495 HydrophobicContact CD2-CD1 4.2Å; L255-I495 HydrophobicContact CD2-CG2 3.77Å; L255-Q496 HydrophobicContact CD1-CB 3.91Å; L255-Y512 HydrophobicContact CD2-CD2 4.32Å; L255-Y512 HydrophobicContact CD2-CE2 4.01Å
256Q83.6Confident82.7Confident0 Ų033.5 Ų33.50%016%0.162CC..Hα-helixtrans-58.9-33.7176-63.9-55.797.800112.6R4 Y63 F252 E253 Q258 E259R4-Q256 WeakPolarHBondContact CD-O 3.38Å; R4-Q256 VanDerWaalsContact NH1-CB 3.27Å; Y63-Q256 PolarHBondContact OH-NE2 2.8Å; Y63-Q256 VanDerWaalsContact OH-NE2 3.15Å; F252-Q256 HydrophobicContact CD1-CG 4.02Å; F252-Q256 HydrophobicContact CE1-CG 3.77Å; F252-Q256 HydrophobicContact CZ-CG 4.11Å; F252-Q256 WeakPolarHBondContact O-CG 3.07Å; F252-Q256 PolarHBondContact O-N 2.76Å; E253-Q256 CarbonylContact O-C 3.57Å; E253-Q256 WeakPolarHBondContact O-CB 3.38Å; E253-Q256 PolarHBondContact O-N 2.92Å; E253-Q256 VanDerWaalsContact O-N 3.16Å; E253-Q256 WeakPolarHBondContact OE2-CB 3.2Å; Q256-Q258 PolarHBondContact O-N 2.89Å; Q256-Q258 VanDerWaalsContact O-N 3.15Å; Q256-E259 VanDerWaalsContact NE2-CD 3.32Å; Q256-E259 PolarHBondContact NE2-OE1 2.94Å; Q256-E259 WeakPolarHBondContact O-CB 3.4Å; Q256-E259 VanDerWaalsContact O-CG 3.29Å; Q256-E259 WeakPolarHBondContact O-CG 3.2Å; Q256-E259 PolarHBondContact O-N 3.44Å
257Q75.6Confident84.2Confident46 Ų4636.1 Ų36.122%0.21517%0.172CC..G310 helixtrans-53.5-32172-79.1-147.90.800113.4S109 E253 L255 E259S109-Q257 WeakPolarHBondContact O-CG 3.02Å; S109-Q257 PolarHBondContact O-NE2 2.97Å; S109-Q257 PolarHBondContact O-OE1 3.04Å; S109-Q257 PolarHBondContact OG-NE2 3.48Å; E253-Q257 PolarHBondContact O-N 3.14Å; L255-Q257 VanDerWaalsContact C-N 3.26Å; L255-Q257 PolarHBondContact O-N 3.05Å; Q257-E259 VanDerWaalsContact C-N 3.3Å; Q257-E259 PolarHBondContact O-N 3.27Å
258Q78.4Confident85Confident21 Ų2137.2 Ų37.210%0.09817%0.174CC..G310 helixtrans-80.5-7.2-175-45.1-50.1-54.700113.4T254 L255 Q256 C260 K261T254-Q258 PolarHBondContact O-NE2 3.48Å; L255-Q258 WeakPolarHBondContact O-CB 3.34Å; L255-Q258 PolarHBondContact O-N 3.33Å; Q256-Q258 PolarHBondContact O-N 2.89Å; Q256-Q258 VanDerWaalsContact O-N 3.15Å; Q258-C260 VanDerWaalsContact C-N 3.29Å; Q258-C260 PolarHBondContact O-N 3Å; Q258-K261 WeakPolarHBondContact O-CB 3.39Å; Q258-K261 PolarHBondContact O-N 3.31Å
259E78.4Confident85.5Confident9 Ų937.1 Ų37.14%0.04217%0.174CC..G310 helixtrans-55.7-40.1179.5-70.9-179.315300112.6T73 A75 Q256 Q257 K261 L262 R499T73-E259 HydrophobicContact CG2-CG 4.14Å; T73-E259 WeakPolarHBondContact CG2-OE1 3.38Å; A75-E259 HydrophobicContact CB-CB 4.2Å; Q256-E259 VanDerWaalsContact NE2-CD 3.32Å; Q256-E259 PolarHBondContact NE2-OE1 2.94Å; Q256-E259 WeakPolarHBondContact O-CB 3.4Å; Q256-E259 VanDerWaalsContact O-CG 3.29Å; Q256-E259 WeakPolarHBondContact O-CG 3.2Å; Q256-E259 PolarHBondContact O-N 3.44Å; Q257-E259 VanDerWaalsContact C-N 3.3Å; Q257-E259 PolarHBondContact O-N 3.27Å; E259-K261 PolarHBondContact O-N 3.02Å; E259-K261 VanDerWaalsContact O-N 3.08Å; E259-L262 PolarHBondContact O-N 2.71Å; E259-R499 IonicContact OE1-NH1 3.33Å
260C74.9Confident86.1Confident10 Ų1040.8 Ų40.87%0.06819%0.192CC..G310 helixtrans-64.8-13.2179.1-71.40000114.1S3 Q258 L263S3-C260 VanDerWaalsContact C-SG 3.59Å; Q258-C260 VanDerWaalsContact C-N 3.29Å; Q258-C260 PolarHBondContact O-N 3Å; C260-L263 HydrophobicContact CB-CD1 4.46Å
261K75.8Confident87Confident143 Ų14343.3 Ų43.362%0.62220%0.199SC*.G310 helixtrans-86.8-10.5173.7-59.8176.4-179.5169.60112.8Q258 E259Q258-K261 WeakPolarHBondContact O-CB 3.39Å; Q258-K261 PolarHBondContact O-N 3.31Å; E259-K261 PolarHBondContact O-N 3.02Å; E259-K261 VanDerWaalsContact O-N 3.08Å
262L82.5Confident87.5Confident19 Ų1946.8 Ų46.810%0.09922%0.223CC..  trans-114.823.3-177.1-55.4-177.3000112.6E259 Y264 F286 Q496 R499E259-L262 PolarHBondContact O-N 2.71Å; L262-Y264 HydrophobicContact CB-CD2 4.39Å; L262-Y264 HydrophobicContact CB-CE2 4.02Å; L262-Y264 HydrophobicContact CD2-CE2 3.78Å; L262-Y264 WeakPolarHBondContact CD2-OH 3.43Å; L262-Y264 HydrophobicContact CG-CE2 4.48Å; L262-Y264 WeakPolarHBondContact O-CD2 3.3Å; L262-Y264 PolarHBondContact O-N 3.28Å; L262-F286 VanDerWaalsContact O-CZ 3.32Å; L262-F286 WeakPolarHBondContact O-CZ 3.47Å; L262-Q496 VanDerWaalsContact CD1-NE2 3.33Å; L262-R499 HydrophobicContact CD1-CB 3.69Å
263L82.9Confident87.9Confident45 Ų4550.8 Ų50.824%0.23624%0.242CC..  trans-76.162.8177-67.8174.1000111.4M1 A75 E76 C260M1-L263 WeakPolarHBondContact O-CD1 3.19Å; A75-L263 HydrophobicContact CB-CD2 4.17Å; E76-L263 HydrophobicContact CG-CD2 4.2Å; C260-L263 HydrophobicContact CB-CD1 4.46Å
264Y91.3Very high88.6Confident91 Ų9150.7 Ų50.736%0.35724%0.241SC..  trans-74.8165.7179.7-55.7-61.3000112.9L262 R266 F286 H288 S500L262-Y264 HydrophobicContact CB-CD2 4.39Å; L262-Y264 HydrophobicContact CB-CE2 4.02Å; L262-Y264 HydrophobicContact CD2-CE2 3.78Å; L262-Y264 WeakPolarHBondContact CD2-OH 3.43Å; L262-Y264 HydrophobicContact CG-CE2 4.48Å; L262-Y264 WeakPolarHBondContact O-CD2 3.3Å; L262-Y264 PolarHBondContact O-N 3.28Å; Y264-R266 PolarHBondContact O-NE 2.75Å; Y264-R266 VanDerWaalsContact O-NE 3.11Å; Y264-F286 HydrophobicContact CD2-CD1 4.42Å; Y264-F286 HydrophobicContact CD2-CD2 4.08Å; Y264-F286 HydrophobicContact CD2-CE1 4.26Å; Y264-F286 AromaticContact CD2-CE2 3.89Å; Y264-F286 HydrophobicContact CD2-CE2 3.89Å; Y264-F286 HydrophobicContact CD2-CG 4.35Å; Y264-F286 AromaticContact CD2-CZ 3.99Å; Y264-F286 HydrophobicContact CD2-CZ 3.99Å; Y264-H288 AromaticContact CD2-CE1 3.58Å; Y264-H288 AromaticContact CG-CE1 3.77Å; Y264-S500 WeakPolarHBondContact CE2-O 2.78Å
265S94.8Very high89.3Confident51 Ų5155.5 Ų55.536%0.35726%0.26SS..  trans-64.5139.7179.9-1670000111.3K267 F286 D287S265-K267 WeakPolarHBondContact OG-CD 3.5Å; S265-K267 WeakPolarHBondContact OG-CG 3.25Å; S265-F286 WeakPolarHBondContact O-CA 3.31Å; S265-D287 VanDerWaalsContact C-CG 3.5Å; S265-D287 WeakPolarHBondContact CB-OD2 3.21Å; S265-D287 PolarHBondContact O-N 2.78Å; S265-D287 PolarHBondContact OG-OD2 3.4Å
266R96.8Very high89.9Confident30 Ų3060 Ų6011%0.11328%0.284CS..  trans-136.924.8-177.9-70.2160.1-76.51468.9111E76 Y264 E268 G269 Q270 L284 P285 F286 D287E76-R266 VanDerWaalsContact CG-NH1 3.31Å; E76-R266 IonicContact OE1-CZ 2.83Å; E76-R266 IonicContact OE1-NE 2.96Å; E76-R266 IonicContact OE1-NH1 3.18Å; E76-R266 PolarHBondContact OE1-NH1 3.1Å; Y264-R266 PolarHBondContact O-NE 2.75Å; Y264-R266 VanDerWaalsContact O-NE 3.11Å; R266-E268 VanDerWaalsContact C-N 3.28Å; R266-E268 PolarHBondContact O-N 3.25Å; R266-G269 PolarHBondContact O-N 2.71Å; R266-Q270 WeakPolarHBondContact O-CG 3.26Å; R266-Q270 PolarHBondContact O-N 3.43Å; R266-L284 HydrophobicContact CB-CB 4.01Å; R266-L284 HydrophobicContact CB-CD1 4.38Å; R266-L284 HydrophobicContact CG-CB 4.3Å; R266-P285 WeakPolarHBondContact CG-O 2.9Å; R266-F286 HydrophobicContact CG-CD1 3.64Å; R266-F286 HydrophobicContact CG-CE1 4.2Å; R266-D287 WeakPolarHBondContact CA-OD1 3.29Å; R266-D287 PolarHBondContact N-OD2 2.79Å; R266-D287 VanDerWaalsContact N-OD2 3.11Å
267K96.9Very high90.6Very high137 Ų13760.6 Ų60.660%0.59629%0.287SS*.Hα-helixtrans-62.7-35.2-169.8-70171.9-175.3177.80112S265 G269 Q270 R271 D287S265-K267 WeakPolarHBondContact OG-CD 3.5Å; S265-K267 WeakPolarHBondContact OG-CG 3.25Å; K267-G269 VanDerWaalsContact C-N 3.3Å; K267-G269 PolarHBondContact O-N 2.88Å; K267-Q270 WeakPolarHBondContact O-CB 3.45Å; K267-Q270 PolarHBondContact O-N 2.91Å; K267-R271 PolarHBondContact O-N 3.48Å; K267-D287 VanDerWaalsContact N-CG 3.3Å; K267-D287 PolarHBondContact N-OD1 2.75Å; K267-D287 PolarHBondContact N-OD2 2.83Å
268E97.8Very high91.7Very high36 Ų3659 Ų5917%0.16828%0.28CS..Hα-helixtrans-64.8-37.7-178.8-62.1-58.1130.800111R266 Q270 R271 N274 D287 R290 Y305R266-E268 VanDerWaalsContact C-N 3.28Å; R266-E268 PolarHBondContact O-N 3.25Å; E268-Q270 VanDerWaalsContact C-N 3.32Å; E268-Q270 PolarHBondContact O-N 2.94Å; E268-R271 VanDerWaalsContact CD-NH2 3.3Å; E268-R271 IonicContact OE1-CZ 3.1Å; E268-R271 IonicContact OE1-NE 2.75Å; E268-R271 PolarHBondContact OE1-NE 2.86Å; E268-R271 IonicContact OE1-NH2 2.75Å; E268-R271 PolarHBondContact OE1-NH2 2.65Å; E268-R271 IonicContact OE2-CZ 3.75Å; E268-R271 IonicContact OE2-NE 3.6Å; E268-R271 PolarHBondContact OE2-NE 2.89Å; E268-R271 IonicContact OE2-NH2 3.18Å; E268-R271 PolarHBondContact OE2-NH2 2.97Å; E268-N274 PolarHBondContact O-ND2 2.88Å; E268-D287 WeakPolarHBondContact CB-OD1 3.46Å; E268-D287 HydrophobicContact CG-CB 4.41Å; E268-D287 WeakPolarHBondContact CG-OD1 3.49Å; E268-D287 PolarHBondContact N-OD1 3.49Å; E268-R290 IonicContact OE2-NH2 3.34Å; E268-Y305 HydrophobicContact CB-CD2 4.44Å
269G97.6Very high92.6Very high1 Ų159.8 Ų59.81%0.0128%0.282CS..Hα-helixtrans-74.6-15.9172.100000115.1R266 K267 N278 Y305R266-G269 PolarHBondContact O-N 2.71Å; K267-G269 VanDerWaalsContact C-N 3.3Å; K267-G269 PolarHBondContact O-N 2.88Å; G269-N278 PolarHBondContact O-ND2 2.95Å; G269-Y305 VanDerWaalsContact CA-CE2 3.5Å; G269-Y305 VanDerWaalsContact CA-OH 3.3Å; G269-Y305 WeakPolarHBondContact CA-OH 3.5Å
270Q96.9Very high93.4Very high105 Ų10560.9 Ų60.949%0.49129%0.286SS..Hα-helixtrans-88.3-16178.5-68.6173.5-25.100113.6R266 K267 E268 K275 L284R266-Q270 WeakPolarHBondContact O-CG 3.26Å; R266-Q270 PolarHBondContact O-N 3.43Å; K267-Q270 WeakPolarHBondContact O-CB 3.45Å; K267-Q270 PolarHBondContact O-N 2.91Å; E268-Q270 VanDerWaalsContact C-N 3.32Å; E268-Q270 PolarHBondContact O-N 2.94Å; Q270-K275 WeakPolarHBondContact O-CE 3.09Å; Q270-L284 HydrophobicContact CG-CD1 3.5Å
271R97.4Very high94.4Very high114 Ų11464.8 Ų64.843%0.4330%0.301SS..SBendtrans-50.1137.3178-71.7-170.7-173.8-118.30.4111.6K267 E268 E273 N274 K275K267-R271 PolarHBondContact O-N 3.48Å; E268-R271 VanDerWaalsContact CD-NH2 3.3Å; E268-R271 IonicContact OE1-CZ 3.1Å; E268-R271 IonicContact OE1-NE 2.75Å; E268-R271 PolarHBondContact OE1-NE 2.86Å; E268-R271 IonicContact OE1-NH2 2.75Å; E268-R271 PolarHBondContact OE1-NH2 2.65Å; E268-R271 IonicContact OE2-CZ 3.75Å; E268-R271 IonicContact OE2-NE 3.6Å; E268-R271 PolarHBondContact OE2-NE 2.89Å; E268-R271 IonicContact OE2-NH2 3.18Å; E268-R271 PolarHBondContact OE2-NH2 2.97Å; R271-E273 WeakPolarHBondContact CB-OE2 3.41Å; R271-E273 PolarHBondContact O-N 3.15Å; R271-E273 VanDerWaalsContact O-N 3.14Å; R271-N274 HydrophobicContact CB-CB 4.25Å; R271-N274 PolarHBondContact O-N 3.43Å; R271-N274 VanDerWaalsContact O-N 3.08Å; R271-K275 PolarHBondContact O-N 2.91Å
272P97.1Very high95.2Very high87 Ų8758.8 Ų58.857%0.56528%0.276SS*.THydrogen-bonded Turntrans-50.5-39.7-177.5-26.533.4000114.4K275P272-K275 PolarHBondContact O-N 3.17Å
273E96.5Very high95.9Very high88 Ų8858 Ų5841%0.41127%0.272SS..G310 helixtrans-69.3-38.5-176.4-52.469.9-145.100110.8R271 K275 N276 A301R271-E273 WeakPolarHBondContact CB-OE2 3.41Å; R271-E273 PolarHBondContact O-N 3.15Å; R271-E273 VanDerWaalsContact O-N 3.14Å; E273-K275 PolarHBondContact O-N 3Å; E273-N276 PolarHBondContact O-OD1 3.5Å; E273-A301 WeakPolarHBondContact CB-O 3.39Å; E273-A301 HydrophobicContact CG-CB 4.02Å
274N97.9Very high96.7Very high0 Ų056.3 Ų56.30%026%0.263CS..G310 helixtrans-81.1-11.4-177.7-67.8-22.9000113.7E268 R271 N276 K277 N278 G302 Y305E268-N274 PolarHBondContact O-ND2 2.88Å; R271-N274 HydrophobicContact CB-CB 4.25Å; R271-N274 PolarHBondContact O-N 3.43Å; R271-N274 VanDerWaalsContact O-N 3.08Å; N274-N276 VanDerWaalsContact C-N 3.28Å; N274-N276 PolarHBondContact O-N 2.88Å; N274-K277 WeakPolarHBondContact O-CA 3.34Å; N274-K277 WeakPolarHBondContact O-CB 3.22Å; N274-K277 PolarHBondContact O-N 2.95Å; N274-N278 PolarHBondContact O-ND2 3.08Å; N274-N278 VanDerWaalsContact O-ND2 3.14Å; N274-G302 WeakPolarHBondContact OD1-CA 3.45Å; N274-Y305 HydrophobicContact CB-CD1 3.67Å; N274-Y305 HydrophobicContact CB-CD2 4.48Å; N274-Y305 HydrophobicContact CB-CE1 3.89Å; N274-Y305 HydrophobicContact CB-CG 3.98Å; N274-Y305 VanDerWaalsContact CG-CB 3.5Å; N274-Y305 VanDerWaalsContact CG-CD1 3.5Å; N274-Y305 WeakPolarHBondContact ND2-CB 3.38Å; N274-Y305 VanDerWaalsContact ND2-CG 3.32Å; N274-Y305 VanDerWaalsContact OD1-CB 3.32Å; N274-Y305 WeakPolarHBondContact OD1-CB 3.44Å
275K96.6Very high97Very high123 Ų12352 Ų5254%0.53525%0.246SC..G310 helixtrans-57.2-38.2-177.7-75.2172.1-172.1169.50113.2Q270 R271 P272 E273 K277 N278Q270-K275 WeakPolarHBondContact O-CE 3.09Å; R271-K275 PolarHBondContact O-N 2.91Å; P272-K275 PolarHBondContact O-N 3.17Å; E273-K275 PolarHBondContact O-N 3Å; K275-K277 VanDerWaalsContact C-N 3.31Å; K275-N278 PolarHBondContact O-N 3.49Å
276N97.4Very high97.2Very high103 Ų10349.6 Ų49.655%0.55123%0.229SC*.G310 helixtrans-78.9-13.1178.272.315000113.3E273 N274 N278 L335 N337E273-N276 PolarHBondContact O-OD1 3.5Å; N274-N276 VanDerWaalsContact C-N 3.28Å; N274-N276 PolarHBondContact O-N 2.88Å; N276-N278 VanDerWaalsContact C-N 3.29Å; N276-L335 WeakPolarHBondContact O-CD1 3.2Å; N276-N337 PolarHBondContact O-ND2 2.99Å; N276-N337 PolarHBondContact OD1-ND2 2.99Å
277K98.4Very high97.3Very high14 Ų1450 Ų506%0.06123%0.234CC..G310 helixtrans-82.9-5.8174-58.8-168.8174.7-161.90112N274 K275 G302 Y305 Q332 T338 D341N274-K277 WeakPolarHBondContact O-CA 3.34Å; N274-K277 WeakPolarHBondContact O-CB 3.22Å; N274-K277 PolarHBondContact O-N 2.95Å; K275-K277 VanDerWaalsContact C-N 3.31Å; K277-G302 PolarHBondContact NZ-O 3.38Å; K277-Y305 HydrophobicContact CB-CD1 3.97Å; K277-Y305 HydrophobicContact CB-CE1 4Å; K277-Y305 HydrophobicContact CD-CD1 4.01Å; K277-Q332 PolarHBondContact O-NE2 2.94Å; K277-T338 HydrophobicContact CB-CG2 3.95Å; K277-T338 HydrophobicContact CG-CG2 4.27Å; K277-D341 WeakPolarHBondContact CE-OD2 3.37Å; K277-D341 IonicContact NZ-OD2 2.77Å; K277-D341 PolarHBondContact NZ-OD2 3.02Å
278N98.4Very high97.3Very high12 Ų1249 Ų496%0.06423%0.231CC..  trans-101.5124179-61.1-46.1000111.9G269 N274 K275 N276 Y280 L284 Y305 N307G269-N278 PolarHBondContact O-ND2 2.95Å; N274-N278 PolarHBondContact O-ND2 3.08Å; N274-N278 VanDerWaalsContact O-ND2 3.14Å; K275-N278 PolarHBondContact O-N 3.49Å; N276-N278 VanDerWaalsContact C-N 3.29Å; N278-Y280 VanDerWaalsContact C-N 3.27Å; N278-Y280 PolarHBondContact O-N 2.96Å; N278-L284 HydrophobicContact CB-CD2 4.15Å; N278-L284 VanDerWaalsContact CG-CD2 3.41Å; N278-L284 WeakPolarHBondContact ND2-CD2 3.48Å; N278-Y305 PolarHBondContact OD1-OH 3.07Å; N278-N307 PolarHBondContact OD1-ND2 3.17Å
279R97.8Very high97.3Very high38 Ų3848 Ų4814%0.14323%0.228CC..SBendtrans-66.3-30.8176.3177.6174.8-75.2-84.8-2.9112.6G333 C334 L335 S366 K367 S461R279-G333 PolarHBondContact NE-O 3.18Å; R279-G333 PolarHBondContact NH2-O 2.62Å; R279-G333 VanDerWaalsContact NH2-O 3.12Å; R279-C334 PolarHBondContact NH2-O 2.69Å; R279-L335 HydrophobicContact CB-CD1 4.46Å; R279-L335 HydrophobicContact CB-CD2 4.04Å; R279-L335 HydrophobicContact CB-CG 4.32Å; R279-L335 HydrophobicContact CG-CD2 4.22Å; R279-S366 PolarHBondContact NH1-O 2.86Å; R279-K367 VanDerWaalsContact CZ-C 3.49Å; R279-K367 PolarHBondContact NE-O 2.93Å; R279-K367 VanDerWaalsContact NE-O 3.11Å; R279-K367 PolarHBondContact NH1-O 3.13Å; R279-K367 PolarHBondContact NH2-O 2.99Å; R279-S461 WeakPolarHBondContact CD-O 3.49Å
280Y96.7Very high97.4Very high31 Ų3149.8 Ų49.812%0.12223%0.234CC..SBendtrans-131.9121.2174.9-55.5-70.5000108.7Y62 K70 N278 N282 I283 S461 A462Y62-Y280 HydrophobicContact CD1-CD2 4.41Å; Y62-Y280 HydrophobicContact CD1-CE1 4.18Å; Y62-Y280 HydrophobicContact CD1-CE2 4.01Å; Y62-Y280 AromaticContact CD1-CZ 3.89Å; Y62-Y280 HydrophobicContact CE1-CD1 4.44Å; Y62-Y280 AromaticContact CE1-CE1 3.69Å; Y62-Y280 HydrophobicContact CE1-CE1 3.69Å; Y62-Y280 HydrophobicContact CE1-CE2 4.04Å; Y62-Y280 AromaticContact CE1-CZ 3.46Å; Y62-Y280 VanDerWaalsContact CE1-CZ 3.46Å; Y62-Y280 WeakPolarHBondContact CE1-OH 3.18Å; K70-Y280 HydrophobicContact CB-CD1 4.4Å; K70-Y280 HydrophobicContact CD-CD1 3.7Å; K70-Y280 HydrophobicContact CD-CE1 3.92Å; N278-Y280 VanDerWaalsContact C-N 3.27Å; N278-Y280 PolarHBondContact O-N 2.96Å; Y280-N282 PolarHBondContact O-N 3.11Å; Y280-I283 HydrophobicContact CD2-CD1 3.96Å; Y280-I283 HydrophobicContact CG-CD1 4.03Å; Y280-I283 PolarHBondContact O-N 3.47Å; Y280-S461 PolarHBondContact OH-OG 3.1Å; Y280-A462 HydrophobicContact CD2-CB 3.84Å; Y280-A462 HydrophobicContact CE2-CB 3.77Å
281K94.6Very high97.5Very high92 Ų9244.9 Ų44.940%0.421%0.212SC..THydrogen-bonded Turntrans-50-36-169.9-176.6-177.5132.9-1690114.7E69 Y80E69-K281 WeakPolarHBondContact OE1-CD 3.25Å; E69-K281 WeakPolarHBondContact OE1-CE 3.49Å; E69-K281 IonicContact OE1-NZ 3.58Å; E69-K281 PolarHBondContact OE1-NZ 3.23Å; Y80-K281 PolarHBondContact OH-NZ 3.28Å
282N93.6Very high97.5Very high17 Ų1742.4 Ų42.49%0.09121%0.209CC..BIsolated β-bridgetrans-112.214.3-175.8-47.1-33.5000113.4E69 K70 F71 Y280E69-N282 WeakPolarHBondContact CB-ND2 3.2Å; K70-N282 WeakPolarHBondContact O-CB 3.48Å; F71-N282 HydrophobicContact CD1-CB 3.64Å; F71-N282 HydrophobicContact CE1-CB 3.66Å; F71-N282 WeakPolarHBondContact CE1-ND2 3.38Å; F71-N282 HydrophobicContact CG-CB 4.49Å; F71-N282 WeakPolarHBondContact CZ-ND2 3.29Å; Y280-N282 PolarHBondContact O-N 3.11Å
283I97.4Very high97.5Very high4 Ų438.4 Ų38.42%0.02118%0.183CC..  trans-11096.2172.5-55.3-177.4000107.6Y62 A72 Y280 N307 A462 I464Y62-I283 HydrophobicContact CD1-CD1 4.46Å; Y62-I283 HydrophobicContact CG-CD1 4.3Å; A72-I283 HydrophobicContact CB-CG1 4.34Å; A72-I283 HydrophobicContact CB-CG2 4.16Å; Y280-I283 HydrophobicContact CD2-CD1 3.96Å; Y280-I283 HydrophobicContact CG-CD1 4.03Å; Y280-I283 PolarHBondContact O-N 3.47Å; I283-N307 PolarHBondContact O-ND2 2.92Å; I283-A462 HydrophobicContact CD1-CB 4.04Å; I283-A462 HydrophobicContact CG2-CB 4.43Å; I283-I464 HydrophobicContact CD1-CD1 4.27Å; I283-I464 HydrophobicContact CG2-CD1 4.2Å; I283-I464 HydrophobicContact CG2-CG2 4.24Å
284L98.4Very high97.4Very high8 Ų840.3 Ų40.34%0.04220%0.196CC..  trans-124.6149.1-165.4-58180000110.8R266 Q270 N278R266-L284 HydrophobicContact CB-CB 4.01Å; R266-L284 HydrophobicContact CB-CD1 4.38Å; R266-L284 HydrophobicContact CG-CB 4.3Å; Q270-L284 HydrophobicContact CG-CD1 3.5Å; N278-L284 HydrophobicContact CB-CD2 4.15Å; N278-L284 VanDerWaalsContact CG-CD2 3.41Å; N278-L284 WeakPolarHBondContact ND2-CD2 3.48Å
285P98.5Very high96.8Very high0 Ų043.8 Ų43.80%022%0.215CC..  trans-67.9146.817432.8-35.9000110.3R266 R290 Y305 N309R266-P285 WeakPolarHBondContact CG-O 2.9Å; P285-R290 HydrophobicContact CB-CB 4.07Å; P285-R290 HydrophobicContact CG-CB 4.37Å; P285-Y305 WeakPolarHBondContact CD-OH 3.34Å; P285-Y305 HydrophobicContact CG-CE2 3.72Å; P285-N309 WeakPolarHBondContact CA-OD1 3.19Å; P285-N309 WeakPolarHBondContact CB-ND2 3.41Å; P285-N309 WeakPolarHBondContact CB-OD1 3.39Å
286F98.4Very high96Very high1 Ų138.7 Ų38.70%0.00420%0.197CC..  trans-69.3139.6167.8-64-48.3000110.8L262 Y264 S265 R266 H288 S289 R290 N309 R499 R502 S503L262-F286 VanDerWaalsContact O-CZ 3.32Å; L262-F286 WeakPolarHBondContact O-CZ 3.47Å; Y264-F286 HydrophobicContact CD2-CD1 4.42Å; Y264-F286 HydrophobicContact CD2-CD2 4.08Å; Y264-F286 HydrophobicContact CD2-CE1 4.26Å; Y264-F286 AromaticContact CD2-CE2 3.89Å; Y264-F286 HydrophobicContact CD2-CE2 3.89Å; Y264-F286 HydrophobicContact CD2-CG 4.35Å; Y264-F286 AromaticContact CD2-CZ 3.99Å; Y264-F286 HydrophobicContact CD2-CZ 3.99Å; S265-F286 WeakPolarHBondContact O-CA 3.31Å; R266-F286 HydrophobicContact CG-CD1 3.64Å; R266-F286 HydrophobicContact CG-CE1 4.2Å; F286-H288 VanDerWaalsContact C-N 3.26Å; F286-H288 VanDerWaalsContact CB-CE1 3.48Å; F286-H288 WeakPolarHBondContact CB-CE1 3.27Å; F286-H288 AromaticContact CD2-CE1 3.88Å; F286-H288 AromaticContact CG-CE1 3.86Å; F286-H288 PolarHBondContact O-N 2.91Å; F286-S289 PolarHBondContact O-N 3.34Å; F286-R290 WeakPolarHBondContact O-CB 3.45Å; F286-R290 PolarHBondContact O-N 3.33Å; F286-N309 PolarHBondContact N-ND2 2.93Å; F286-N309 PolarHBondContact O-ND2 3.17Å; F286-R499 WeakPolarHBondContact CE2-O 3.43Å; F286-R502 VanDerWaalsContact CE2-C 3.47Å; F286-S503 VanDerWaalsContact CE2-N 3.26Å
287D98.4Very high95.3Very high38 Ų3838 Ų3820%0.20319%0.193CC..THydrogen-bonded Turntrans-64.3-29.5-174-60.2-32.8000112.6S265 R266 K267 E268S265-D287 VanDerWaalsContact C-CG 3.5Å; S265-D287 WeakPolarHBondContact CB-OD2 3.21Å; S265-D287 PolarHBondContact O-N 2.78Å; S265-D287 PolarHBondContact OG-OD2 3.4Å; R266-D287 WeakPolarHBondContact CA-OD1 3.29Å; R266-D287 PolarHBondContact N-OD2 2.79Å; R266-D287 VanDerWaalsContact N-OD2 3.11Å; K267-D287 VanDerWaalsContact N-CG 3.3Å; K267-D287 PolarHBondContact N-OD1 2.75Å; K267-D287 PolarHBondContact N-OD2 2.83Å; E268-D287 WeakPolarHBondContact CB-OD1 3.46Å; E268-D287 HydrophobicContact CG-CB 4.41Å; E268-D287 WeakPolarHBondContact CG-OD1 3.49Å; E268-D287 PolarHBondContact N-OD1 3.49Å
288H98.1Very high94.5Very high118 Ų11843.9 Ų43.955%0.54623%0.233SC..THydrogen-bonded Turntrans-82.1-11.6-175.967.8-88.5000115.1Y264 F286 S500Y264-H288 AromaticContact CD2-CE1 3.58Å; Y264-H288 AromaticContact CG-CE1 3.77Å; F286-H288 VanDerWaalsContact C-N 3.26Å; F286-H288 VanDerWaalsContact CB-CE1 3.48Å; F286-H288 WeakPolarHBondContact CB-CE1 3.27Å; F286-H288 AromaticContact CD2-CE1 3.88Å; F286-H288 AromaticContact CG-CE1 3.86Å; F286-H288 PolarHBondContact O-N 2.91Å; H288-S500 PolarHBondContact CE1-O 2.88Å; H288-S500 PolarHBondContact NE2-O 2.91Å
289S98.1Very high93.9Very high15 Ų1548.4 Ų48.411%0.10527%0.265CS..THydrogen-bonded Turntrans-133.95.9-175.959.10000112.7F286 N309 I310 Q501F286-S289 PolarHBondContact O-N 3.34Å; S289-N309 CarbonylContact O-C 3.58Å; S289-N309 WeakPolarHBondContact O-CA 3.46Å; S289-N309 WeakPolarHBondContact O-CB 3.26Å; S289-N309 PolarHBondContact O-ND2 2.86Å; S289-N309 PolarHBondContact OG-ND2 2.82Å; S289-I310 PolarHBondContact O-N 2.74Å; S289-Q501 PolarHBondContact OG-O 2.79Å
290R98.6Very high93.4Very high37 Ų3751.7 Ų51.714%0.1428%0.283CS..EExtended strand (participates in β ladder)trans-64.4152.3178.371.9176.5-179.2103.5-15.8110.7E268 P285 F286 V292 D304 A308 N309E268-R290 IonicContact OE2-NH2 3.34Å; P285-R290 HydrophobicContact CB-CB 4.07Å; P285-R290 HydrophobicContact CG-CB 4.37Å; F286-R290 WeakPolarHBondContact O-CB 3.45Å; F286-R290 PolarHBondContact O-N 3.33Å; R290-V292 HydrophobicContact CG-CG2 4.23Å; R290-D304 IonicContact CZ-OD2 3.89Å; R290-D304 PolarHBondContact NH1-O 3.11Å; R290-D304 IonicContact NH1-OD2 2.62Å; R290-D304 PolarHBondContact NH1-OD2 3.41Å; R290-D304 IonicContact NH2-OD2 3.63Å; R290-D304 PolarHBondContact NH2-OD2 3.02Å; R290-A308 VanDerWaalsContact CA-O 3.29Å; R290-A308 WeakPolarHBondContact CA-O 3.45Å; R290-N309 PolarHBondContact N-ND2 3.21Å
291V98.6Very high93Very high3 Ų353.5 Ų53.52%0.01830%0.304CS..EExtended strand (participates in β ladder)trans-73.9135.6162.6-165.60000108.4L293 I306 A308 I310 I329 M345 E349V291-L293 HydrophobicContact CG1-CD2 4.34Å; V291-I306 HydrophobicContact CB-CG2 4.02Å; V291-A308 HydrophobicContact CB-CB 4.37Å; V291-A308 HydrophobicContact CG2-CB 3.82Å; V291-A308 PolarHBondContact N-O 3.24Å; V291-A308 VanDerWaalsContact N-O 3.1Å; V291-I310 HydrophobicContact CG2-CD1 3.78Å; V291-I310 HydrophobicContact CG2-CG1 4.24Å; V291-I329 HydrophobicContact CG2-CG2 3.71Å; V291-M345 HydrophobicContact CB-CG 4.32Å; V291-M345 HydrophobicContact CG1-CG 3.92Å; V291-M345 HydrophobicContact CG2-CG 4.36Å; V291-M345 HydrophobicContact CG2-SD 4.37Å; V291-E349 HydrophobicContact CG1-CG 4.03Å
292V98.3Very high92.8Very high61 Ų6149.6 Ų49.637%0.3729%0.289SS..EExtended strand (participates in β ladder)trans-109.9127.3174.7-172.40000106.8R290 D304 Q348R290-V292 HydrophobicContact CG-CG2 4.23Å; V292-D304 HydrophobicContact CG1-CB 4.13Å; V292-Q348 PolarHBondContact O-NE2 3.21Å; V292-Q348 PolarHBondContact O-OE1 2.97Å
293L97.6Very high92.9Very high4 Ų449.2 Ų49.22%0.02129%0.288CS..  trans-91.6113.7-179.5-51.9-179.8000110V291 D304 I306 D341 M345V291-L293 HydrophobicContact CG1-CD2 4.34Å; L293-D304 PolarHBondContact N-O 3.4Å; L293-D304 WeakPolarHBondContact O-CA 3.15Å; L293-I306 HydrophobicContact CD1-CB 4.23Å; L293-I306 HydrophobicContact CD1-CG2 4.32Å; L293-I306 HydrophobicContact CD2-CG2 3.99Å; L293-I306 HydrophobicContact CG-CG2 4.17Å; L293-D341 HydrophobicContact CD1-CB 3.84Å; L293-M345 HydrophobicContact CD2-CB 3.76Å; L293-M345 HydrophobicContact CD2-CG 4.29Å
294N93.1Very high92.8Very high127 Ų12750.9 Ų50.968%0.67930%0.297SS*.THydrogen-bonded Turntrans-83.5-19.1-168.5-59.8-38.8000113.8Q348N294-Q348 PolarHBondContact ND2-NE2 3.09Å; N294-Q348 PolarHBondContact ND2-OE1 2.8Å
295D85.1Confident92.8Very high74 Ų7450.5 Ų50.540%0.39630%0.295SS..THydrogen-bonded Turntrans-94.613.6-176.868.2-26.3000113.4R344D295-R344 VanDerWaalsContact CG-NE 3.34Å; D295-R344 IonicContact OD1-CZ 2.68Å; D295-R344 IonicContact OD1-NE 2.66Å; D295-R344 PolarHBondContact OD1-NE 3.09Å; D295-R344 IonicContact OD1-NH2 2.66Å; D295-R344 PolarHBondContact OD1-NH2 2.91Å; D295-R344 WeakPolarHBondContact OD2-CG 3.38Å; D295-R344 IonicContact OD2-NE 2.67Å; D295-R344 PolarHBondContact OD2-NE 2.9Å
296G80.4Confident92.9Very high16 Ų1650.8 Ų50.817%0.16530%0.297CS..SBendtrans-72.5148.9-178.400000112.7P298G296-P298 WeakPolarHBondContact O-CD 3.43Å
297D83.6Confident92.9Very high88 Ų8850.8 Ų50.847%0.47130%0.297SS..  trans-59.7118.9169.8-172.2-37.1000108.9S299 E300 S303D297-S299 PolarHBondContact O-N 2.78Å; D297-S299 VanDerWaalsContact O-N 3.13Å; D297-S299 WeakPolarHBondContact OD1-CA 3.47Å; D297-S299 VanDerWaalsContact OD1-CB 3.31Å; D297-S299 WeakPolarHBondContact OD1-CB 3.26Å; D297-S299 PolarHBondContact OD1-N 3.15Å; D297-S299 PolarHBondContact OD1-OG 3.48Å; D297-E300 HydrophobicContact CB-CB 4.12Å; D297-E300 PolarHBondContact O-N 2.89Å; D297-S303 WeakPolarHBondContact O-CB 3.38Å; D297-S303 PolarHBondContact O-OG 2.96Å
298P81.3Confident92.9Very high138 Ų13849 Ų4990%0.89629%0.287SS*.THydrogen-bonded Turntrans-66.4-11.8-178.9-2235.1000114.1G296G296-P298 WeakPolarHBondContact O-CD 3.43Å
299S85.3Confident92.9Very high106 Ų10643.4 Ų43.474%0.74126%0.261SS*.THydrogen-bonded Turntrans-91-17.9173.574.70000113.6D297 A301D297-S299 PolarHBondContact O-N 2.78Å; D297-S299 VanDerWaalsContact O-N 3.13Å; D297-S299 WeakPolarHBondContact OD1-CA 3.47Å; D297-S299 VanDerWaalsContact OD1-CB 3.31Å; D297-S299 WeakPolarHBondContact OD1-CB 3.26Å; D297-S299 PolarHBondContact OD1-N 3.15Å; D297-S299 PolarHBondContact OD1-OG 3.48Å; S299-A301 PolarHBondContact O-N 2.9Å
300E87.1Confident93Very high108 Ų10844.5 Ų44.551%0.50527%0.265SS..SBendtrans-88.2105.3173.2-176.9-170.3179.400110.4D297 G302 S303D297-E300 HydrophobicContact CB-CB 4.12Å; D297-E300 PolarHBondContact O-N 2.89Å; E300-G302 PolarHBondContact O-N 3.22Å; E300-S303 VanDerWaalsContact O-CB 3.27Å; E300-S303 WeakPolarHBondContact O-CB 3.5Å; E300-S303 PolarHBondContact O-N 3.12Å; E300-S303 PolarHBondContact O-OG 3.1Å; E300-S303 VanDerWaalsContact O-OG 3.06Å
301A89.3Confident92.9Very high69 Ų6942.7 Ų42.757%0.5726%0.259SS*.THydrogen-bonded Turntrans-62.1118.9175.200000111.4E273 S299E273-A301 WeakPolarHBondContact CB-O 3.39Å; E273-A301 HydrophobicContact CG-CB 4.02Å; S299-A301 PolarHBondContact O-N 2.9Å
302G90.4Very high92.8Very high9 Ų948 Ų489%0.09329%0.285CS..THydrogen-bonded Turntrans91.39.9-17500000114.9N274 K277 E300 D304 Y305N274-G302 WeakPolarHBondContact OD1-CA 3.45Å; K277-G302 PolarHBondContact NZ-O 3.38Å; E300-G302 PolarHBondContact O-N 3.22Å; G302-D304 PolarHBondContact O-N 3.44Å; G302-Y305 PolarHBondContact O-N 3.25Å
303S94.5Very high92.4Very high10 Ų1046.3 Ų46.37%0.0728%0.275CS..THydrogen-bonded Turntrans-63.9-18.3170.565.80000113.5D297 E300 R344D297-S303 WeakPolarHBondContact O-CB 3.38Å; D297-S303 PolarHBondContact O-OG 2.96Å; E300-S303 VanDerWaalsContact O-CB 3.27Å; E300-S303 WeakPolarHBondContact O-CB 3.5Å; E300-S303 PolarHBondContact O-N 3.12Å; E300-S303 PolarHBondContact O-OG 3.1Å; E300-S303 VanDerWaalsContact O-OG 3.06Å; S303-R344 PolarHBondContact O-NH1 3.2Å; S303-R344 PolarHBondContact O-NH2 2.86Å
304D96.8Very high91.6Very high39 Ų3951 Ų5121%0.20930%0.296CS..THydrogen-bonded Turntrans-86.2-6.1177.281.7-57.7000114.2R290 V292 L293 G302R290-D304 IonicContact CZ-OD2 3.89Å; R290-D304 PolarHBondContact NH1-O 3.11Å; R290-D304 IonicContact NH1-OD2 2.62Å; R290-D304 PolarHBondContact NH1-OD2 3.41Å; R290-D304 IonicContact NH2-OD2 3.63Å; R290-D304 PolarHBondContact NH2-OD2 3.02Å; V292-D304 HydrophobicContact CG1-CB 4.13Å; L293-D304 PolarHBondContact N-O 3.4Å; L293-D304 WeakPolarHBondContact O-CA 3.15Å; G302-D304 PolarHBondContact O-N 3.44Å
305Y98.3Very high90Very high0 Ų048.6 Ų48.60%030%0.295CS..EExtended strand (participates in β ladder)trans-102.4132.4-168179.7-94.3000114.2E268 G269 N274 K277 N278 P285 G302 N307E268-Y305 HydrophobicContact CB-CD2 4.44Å; G269-Y305 VanDerWaalsContact CA-CE2 3.5Å; G269-Y305 VanDerWaalsContact CA-OH 3.3Å; G269-Y305 WeakPolarHBondContact CA-OH 3.5Å; N274-Y305 HydrophobicContact CB-CD1 3.67Å; N274-Y305 HydrophobicContact CB-CD2 4.48Å; N274-Y305 HydrophobicContact CB-CE1 3.89Å; N274-Y305 HydrophobicContact CB-CG 3.98Å; N274-Y305 VanDerWaalsContact CG-CB 3.5Å; N274-Y305 VanDerWaalsContact CG-CD1 3.5Å; N274-Y305 WeakPolarHBondContact ND2-CB 3.38Å; N274-Y305 VanDerWaalsContact ND2-CG 3.32Å; N274-Y305 VanDerWaalsContact OD1-CB 3.32Å; N274-Y305 WeakPolarHBondContact OD1-CB 3.44Å; K277-Y305 HydrophobicContact CB-CD1 3.97Å; K277-Y305 HydrophobicContact CB-CE1 4Å; K277-Y305 HydrophobicContact CD-CD1 4.01Å; N278-Y305 PolarHBondContact OD1-OH 3.07Å; P285-Y305 WeakPolarHBondContact CD-OH 3.34Å; P285-Y305 HydrophobicContact CG-CE2 3.72Å; G302-Y305 PolarHBondContact O-N 3.25Å; Y305-N307 HydrophobicContact CE1-CB 4.42Å
306I98.7Very high88.5Confident6 Ų648.6 Ų48.63%0.03130%0.295CS..EExtended strand (participates in β ladder)trans-137.4147.6160.5-174.4161.3000110.3V291 L293 A308 D341 F342 M345V291-I306 HydrophobicContact CB-CG2 4.02Å; L293-I306 HydrophobicContact CD1-CB 4.23Å; L293-I306 HydrophobicContact CD1-CG2 4.32Å; L293-I306 HydrophobicContact CD2-CG2 3.99Å; L293-I306 HydrophobicContact CG-CG2 4.17Å; I306-A308 HydrophobicContact CG1-CB 4.36Å; I306-A308 HydrophobicContact CG2-CB 3.98Å; I306-A308 PolarHBondContact O-N 3.08Å; I306-D341 HydrophobicContact CD1-CB 4.24Å; I306-F342 HydrophobicContact CD1-CB 4.29Å; I306-M345 HydrophobicContact CD1-CB 4.1Å; I306-M345 HydrophobicContact CD1-CG 4.45Å; I306-M345 HydrophobicContact CD1-SD 3.83Å; I306-M345 HydrophobicContact CG1-SD 4.49Å; I306-M345 HydrophobicContact CG2-CG 4.25Å; I306-M345 HydrophobicContact CG2-SD 4.16Å
307N98.8Very high86.9Confident1 Ų153.5 Ų53.51%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-77.870.1175.6-167.8-41.4000111.1N278 I283 Y305 T331 Q332 R502N278-N307 PolarHBondContact OD1-ND2 3.17Å; I283-N307 PolarHBondContact O-ND2 2.92Å; Y305-N307 HydrophobicContact CE1-CB 4.42Å; N307-T331 PolarHBondContact O-OG1 2.81Å; N307-T331 VanDerWaalsContact O-OG1 3.13Å; N307-Q332 HydrophobicContact CB-CG 4.1Å; N307-Q332 PolarHBondContact O-N 2.93Å; N307-R502 PolarHBondContact OD1-NH1 3.22Å; N307-R502 PolarHBondContact OD1-NH2 3.47Å
308A98.9Very high85.1Confident0 Ų058.7 Ų58.70%035%0.345CS..EExtended strand (participates in β ladder)trans-142.2150.8-178.500000110.8R290 V291 I306 I329 A330 T331 M345R290-A308 VanDerWaalsContact CA-O 3.29Å; R290-A308 WeakPolarHBondContact CA-O 3.45Å; V291-A308 HydrophobicContact CB-CB 4.37Å; V291-A308 HydrophobicContact CG2-CB 3.82Å; V291-A308 PolarHBondContact N-O 3.24Å; V291-A308 VanDerWaalsContact N-O 3.1Å; I306-A308 HydrophobicContact CG1-CB 4.36Å; I306-A308 HydrophobicContact CG2-CB 3.98Å; I306-A308 PolarHBondContact O-N 3.08Å; A308-I329 HydrophobicContact CB-CG2 3.81Å; A308-A330 CarbonylContact C-O 3.54Å; A308-A330 WeakPolarHBondContact CA-O 3.43Å; A308-T331 WeakPolarHBondContact CB-OG1 3.49Å; A308-M345 HydrophobicContact CB-SD 3.62Å
309N98.9Very high83.3Confident0 Ų055.7 Ų55.70%033%0.326CS..EExtended strand (participates in β ladder)trans-130.1142171.7-64.795.5000111.2P285 F286 S289 R290 I311 I329 A330 Q501 R502P285-N309 WeakPolarHBondContact CA-OD1 3.19Å; P285-N309 WeakPolarHBondContact CB-ND2 3.41Å; P285-N309 WeakPolarHBondContact CB-OD1 3.39Å; F286-N309 PolarHBondContact N-ND2 2.93Å; F286-N309 PolarHBondContact O-ND2 3.17Å; S289-N309 CarbonylContact O-C 3.58Å; S289-N309 WeakPolarHBondContact O-CA 3.46Å; S289-N309 WeakPolarHBondContact O-CB 3.26Å; S289-N309 PolarHBondContact O-ND2 2.86Å; S289-N309 PolarHBondContact OG-ND2 2.82Å; R290-N309 PolarHBondContact N-ND2 3.21Å; N309-I311 HydrophobicContact CB-CD1 4.35Å; N309-I329 CarbonylContact O-C 3.52Å; N309-I329 WeakPolarHBondContact O-CA 3.16Å; N309-A330 PolarHBondContact N-O 2.93Å; N309-A330 PolarHBondContact O-N 3.13Å; N309-Q501 WeakPolarHBondContact CB-O 3.45Å; N309-Q501 PolarHBondContact ND2-O 3.31Å; N309-R502 HydrophobicContact CB-CB 4.03Å; N309-R502 HydrophobicContact CB-CG 4.41Å; N309-R502 WeakPolarHBondContact OD1-CD 3.35Å; N309-R502 WeakPolarHBondContact OD1-CG 3.31Å; N309-R502 PolarHBondContact OD1-NH1 3.11Å
310I98.7Very high81.2Confident38 Ų3858.3 Ų58.320%0.19533%0.332CS..EExtended strand (participates in β ladder)trans-69.4133.9163.6-54.9-58000108.4S289 V291 M312 Y328 I329S289-I310 PolarHBondContact O-N 2.74Å; V291-I310 HydrophobicContact CG2-CD1 3.78Å; V291-I310 HydrophobicContact CG2-CG1 4.24Å; I310-M312 HydrophobicContact CG2-CG 4.01Å; I310-Y328 WeakPolarHBondContact CA-O 3.39Å; I310-I329 HydrophobicContact CD1-CD1 4.3Å; I310-I329 HydrophobicContact CD1-CG1 3.95Å
311I98.3Very high79.1Confident0 Ų060.9 Ų60.90%035%0.349CS..EExtended strand (participates in β ladder)trans-118.9117.6171.8-46.9-63.6000108.1N309 Y328 A330 I471 V498 Q501 R502 M505N309-I311 HydrophobicContact CB-CD1 4.35Å; I311-Y328 HydrophobicContact CB-CD2 4.4Å; I311-Y328 PolarHBondContact N-O 2.98Å; I311-Y328 PolarHBondContact O-N 3Å; I311-A330 HydrophobicContact CD1-CB 4.07Å; I311-A330 HydrophobicContact CG1-CB 3.71Å; I311-I471 HydrophobicContact CG1-CD1 4.44Å; I311-I471 HydrophobicContact CG2-CG2 4.25Å; I311-V498 HydrophobicContact CG2-CB 4.4Å; I311-V498 HydrophobicContact CG2-CG1 3.97Å; I311-V498 HydrophobicContact CG2-CG2 4.03Å; I311-Q501 HydrophobicContact CD1-CB 3.67Å; I311-R502 HydrophobicContact CD1-CB 3.93Å; I311-M505 HydrophobicContact CD1-CE 4.15Å; I311-M505 HydrophobicContact CG1-CE 4.21Å
312M95.3Very high77.5Confident115 Ų11560.2 Ų60.257%0.56734%0.343SS*.  trans-107.6132.5174.7-61.2-177.9-72.500109.7I310 M497 Q501I310-M312 HydrophobicContact CG2-CG 4.01Å; M312-M497 VanDerWaalsContact O-SD 3.34Å; M312-Q501 PolarHBondContact O-NE2 2.84Å; M312-Q501 PolarHBondContact O-OE1 2.88Å
313P90.4Very high75.9Confident25 Ų2568.7 Ų68.716%0.16238%0.378CS..PPolyproline II helixtrans-63.7164.8166.5-20.233.3000111.9A315 K326 Y328 I475P313-A315 PolarHBondContact O-N 3.25Å; P313-K326 WeakPolarHBondContact CD-O 3.33Å; P313-K326 WeakPolarHBondContact CG-O 3.48Å; P313-Y328 HydrophobicContact CG-CE2 4.14Å; P313-I475 HydrophobicContact CB-CD1 4.49Å; P313-I475 HydrophobicContact CB-CG2 4.37Å; P313-I475 HydrophobicContact CG-CD1 4.14Å; P313-I475 HydrophobicContact CG-CG1 4.06Å
314E80.1Confident74.4Confident101 Ų10174.4 Ų74.447%0.47242%0.415SS..PPolyproline II helixtrans-61120.6170.1-90.3178.8-161.700111.3D316 K325 K493 M497E314-D316 PolarHBondContact O-N 3.39Å; E314-K325 PolarHBondContact O-NZ 2.77Å; E314-K325 VanDerWaalsContact O-NZ 3.13Å; E314-K493 WeakPolarHBondContact OE1-CE 3.45Å; E314-K493 IonicContact OE1-NZ 3.72Å; E314-K493 PolarHBondContact OE1-NZ 3.37Å; E314-K493 IonicContact OE2-NZ 3.67Å; E314-K493 PolarHBondContact OE2-NZ 3.32Å; E314-M497 HydrophobicContact CG-CG 4.15Å
315A59.8Low73.3Confident78 Ų7875.8 Ų75.865%0.64542%0.419SS*.PPolyproline II helixtrans-71.9120.6168.200000109.5P313 S317P313-A315 PolarHBondContact O-N 3.25Å; A315-S317 PolarHBondContact O-N 2.98Å; A315-S317 PolarHBondContact O-OG 3.34Å
316D54.6Low72.8Confident73 Ų7377 Ų7739%0.3942%0.424SS..  trans-66.497.8174.5-79.6-86.5000109.3E314 K318 C319 K325 K483E314-D316 PolarHBondContact O-N 3.39Å; D316-K318 PolarHBondContact O-N 3.5Å; D316-C319 PolarHBondContact O-N 3.04Å; D316-K325 IonicContact OD2-NZ 3.69Å; D316-K325 PolarHBondContact OD2-NZ 3.28Å; D316-K483 IonicContact OD1-NZ 3.28Å; D316-K483 PolarHBondContact OD1-NZ 3.09Å; D316-K483 IonicContact OD2-NZ 2.86Å; D316-K483 PolarHBondContact OD2-NZ 3.24Å
317S45.3Very low72.7Confident119 Ų11978.3 Ų78.383%0.83243%0.434SS*.THydrogen-bonded Turntrans-66.723-173.6-35.80000115.2A315A315-S317 PolarHBondContact O-N 2.98Å; A315-S317 PolarHBondContact O-OG 3.34Å
318K46.8Very low72.7Confident197 Ų19778.3 Ų78.386%0.85743%0.434SS*.THydrogen-bonded Turntrans-124.7-9.6-177.6-65.3-175.1176.4-177.50113.6D316D316-K318 PolarHBondContact O-N 3.5Å
319C43.3Very low72.7Confident75 Ų7578.3 Ų78.351%0.50743%0.434SS..  trans-119.283.7-172.3-67.40000111.6D316 N321 A322D316-C319 PolarHBondContact O-N 3.04Å; C319-N321 PolarHBondContact O-N 3.38Å; C319-A322 HydrophobicContact CB-CB 4.12Å; C319-A322 WeakPolarHBondContact O-CB 3.28Å; C319-A322 PolarHBondContact O-N 2.89Å
320N41.3Very low72.7Confident161 Ų16178.3 Ų78.386%0.86143%0.434SS*.THydrogen-bonded Turntrans-61.7-9.3179.6-67.90.7000114.7
321N43.6Very low72.7Confident163 Ų16376.6 Ų76.687%0.87243%0.425SS*.THydrogen-bonded Turntrans-114.316178.3-67.2-1.6000113.1C319C319-N321 PolarHBondContact O-N 3.38Å
322A54.2Low72.7Confident54 Ų5476.8 Ų76.845%0.44643%0.426SS..PPolyproline II helixtrans-65141.5176.600000111.3C319C319-A322 HydrophobicContact CB-CB 4.12Å; C319-A322 WeakPolarHBondContact O-CB 3.28Å; C319-A322 PolarHBondContact O-N 2.89Å
323K57.5Low72.9Confident187 Ų18771.3 Ų71.381%0.81340%0.399SS*.PPolyproline II helixtrans-58.8149165.3-73-175.4178.4-179.50109.3K325K323-K325 PolarHBondContact O-N 3.34Å; K323-K325 VanDerWaalsContact O-N 3.09Å
324P62.2Low73.3Confident130 Ų13070.2 Ų70.284%0.84439%0.392SS*.PPolyproline II helixtrans-57.2119.2171.324.6-33.4000109.4
325K74.1Confident74.2Confident68 Ų6866.9 Ų66.930%0.29638%0.377SS..PPolyproline II helixtrans-67.2147.2-179.5-71.8-167.5179-176.60110.9E314 D316 K323 S327 E482E314-K325 PolarHBondContact O-NZ 2.77Å; E314-K325 VanDerWaalsContact O-NZ 3.13Å; D316-K325 IonicContact OD2-NZ 3.69Å; D316-K325 PolarHBondContact OD2-NZ 3.28Å; K323-K325 PolarHBondContact O-N 3.34Å; K323-K325 VanDerWaalsContact O-N 3.09Å; K325-S327 PolarHBondContact O-N 3.47Å; K325-E482 IonicContact NZ-OE2 2.74Å
326K88.9Confident76Confident27 Ų2769.9 Ų69.912%0.11738%0.378CS..PPolyproline II helixtrans-53.4131.5174.4-163.2173.473.4-161.40110.3P313 Y328 N444 Q447 I456 D474 D478P313-K326 WeakPolarHBondContact CD-O 3.33Å; P313-K326 WeakPolarHBondContact CG-O 3.48Å; K326-Y328 WeakPolarHBondContact CE-OH 3.22Å; K326-N444 PolarHBondContact NZ-ND2 2.91Å; K326-N444 PolarHBondContact NZ-OD1 3.46Å; K326-Q447 HydrophobicContact CD-CG 4.48Å; K326-Q447 HydrophobicContact CG-CG 4.46Å; K326-I456 HydrophobicContact CD-CD1 3.86Å; K326-I456 HydrophobicContact CG-CD1 4.13Å; K326-D474 WeakPolarHBondContact CE-OD2 3.4Å; K326-D474 IonicContact NZ-OD1 3.7Å; K326-D474 PolarHBondContact NZ-OD1 3.46Å; K326-D474 IonicContact NZ-OD2 2.69Å; K326-D474 PolarHBondContact NZ-OD2 2.66Å; K326-D478 WeakPolarHBondContact CE-OD2 3.4Å; K326-D478 IonicContact NZ-OD1 2.65Å; K326-D478 PolarHBondContact NZ-OD1 3.25Å; K326-D478 VanDerWaalsContact NZ-OD1 3.1Å; K326-D478 IonicContact NZ-OD2 3.02Å; K326-D478 PolarHBondContact NZ-OD2 2.73Å
327S95.9Very high78Confident33 Ų3370.1 Ų70.123%0.23138%0.379CS..  trans-127.6164.9-178.8550000110.5K325 P455 I456K325-S327 PolarHBondContact O-N 3.47Å; S327-P455 CarbonylContact O-C 3.56Å; S327-P455 WeakPolarHBondContact O-CA 3.35Å; S327-P455 WeakPolarHBondContact O-CB 3.18Å; S327-I456 PolarHBondContact O-N 2.94Å
328Y98.7Very high80.6Confident0 Ų064.7 Ų64.70%034%0.341CS..EExtended strand (participates in β ladder)trans-135157.2-169.5-42.7-93.1000111.9I310 I311 P313 K326 I456 V458 I471 D474 I475I310-Y328 WeakPolarHBondContact CA-O 3.39Å; I311-Y328 HydrophobicContact CB-CD2 4.4Å; I311-Y328 PolarHBondContact N-O 2.98Å; I311-Y328 PolarHBondContact O-N 3Å; P313-Y328 HydrophobicContact CG-CE2 4.14Å; K326-Y328 WeakPolarHBondContact CE-OH 3.22Å; Y328-I456 CarbonylContact C-O 3.56Å; Y328-I456 VanDerWaalsContact CA-O 3.26Å; Y328-I456 WeakPolarHBondContact CA-O 3.44Å; Y328-I456 HydrophobicContact CD1-CB 4.15Å; Y328-V458 HydrophobicContact CD1-CG2 4.28Å; Y328-I471 HydrophobicContact CD1-CG1 3.99Å; Y328-I471 HydrophobicContact CD2-CG2 3.84Å; Y328-I471 HydrophobicContact CE2-CG2 4.04Å; Y328-I471 HydrophobicContact CG-CD1 4.18Å; Y328-I471 HydrophobicContact CG-CG1 4.02Å; Y328-I471 HydrophobicContact CG-CG2 4.11Å; Y328-D474 VanDerWaalsContact CE1-OD2 3.29Å; Y328-D474 WeakPolarHBondContact CE1-OD2 3.46Å; Y328-D474 PolarHBondContact OH-OD2 2.96Å; Y328-I475 HydrophobicContact CD2-CD1 4.44Å; Y328-I475 HydrophobicContact CE2-CD1 3.78Å; Y328-I475 HydrophobicContact CE2-CG1 3.61Å
329I98.9Very high83Confident0 Ų055.7 Ų55.70%030%0.302CS..EExtended strand (participates in β ladder)trans-111.8113.9161.4-43.7-173.5000108.1V291 A308 N309 I310 M345 E349 P455 I456 V458V291-I329 HydrophobicContact CG2-CG2 3.71Å; A308-I329 HydrophobicContact CB-CG2 3.81Å; N309-I329 CarbonylContact O-C 3.52Å; N309-I329 WeakPolarHBondContact O-CA 3.16Å; I310-I329 HydrophobicContact CD1-CD1 4.3Å; I310-I329 HydrophobicContact CD1-CG1 3.95Å; I329-M345 HydrophobicContact CD1-CE 4.19Å; I329-M345 HydrophobicContact CD1-CG 4.31Å; I329-M345 HydrophobicContact CD1-SD 4.35Å; I329-M345 HydrophobicContact CG2-CE 4.25Å; I329-M345 HydrophobicContact CG2-SD 3.87Å; I329-E349 HydrophobicContact CD1-CB 3.8Å; I329-E349 HydrophobicContact CD1-CG 3.73Å; I329-P455 HydrophobicContact CD1-CG 4.06Å; I329-P455 HydrophobicContact CG1-CB 3.91Å; I329-P455 HydrophobicContact CG1-CG 3.77Å; I329-I456 PolarHBondContact N-O 2.9Å; I329-V458 PolarHBondContact O-N 2.84Å
330A98.9Very high85.6Confident0 Ų053.8 Ų53.80%029%0.289CS..EExtended strand (participates in β ladder)trans-89.8112.3172.300000109.5A308 N309 I311 T467 I471 M505A308-A330 CarbonylContact C-O 3.54Å; A308-A330 WeakPolarHBondContact CA-O 3.43Å; N309-A330 PolarHBondContact N-O 2.93Å; N309-A330 PolarHBondContact O-N 3.13Å; I311-A330 HydrophobicContact CD1-CB 4.07Å; I311-A330 HydrophobicContact CG1-CB 3.71Å; A330-T467 HydrophobicContact CB-CG2 3.78Å; A330-I471 HydrophobicContact CB-CD1 4.08Å; A330-M505 HydrophobicContact CB-CE 3.67Å; A330-M505 HydrophobicContact CB-SD 4.25Å
331T98.9Very high88.3Confident2 Ų246.7 Ų46.71%0.01225%0.252CS..EExtended strand (participates in β ladder)trans-133.7159.3-173.9-170.20000112.9N307 A308 F342 M345 T457 V458 H459 G463N307-T331 PolarHBondContact O-OG1 2.81Å; N307-T331 VanDerWaalsContact O-OG1 3.13Å; A308-T331 WeakPolarHBondContact CB-OG1 3.49Å; T331-F342 HydrophobicContact CG2-CD2 4.49Å; T331-F342 HydrophobicContact CG2-CE2 4.08Å; T331-M345 HydrophobicContact CG2-CE 4.36Å; T331-T457 HydrophobicContact CG2-CG2 3.9Å; T331-V458 PolarHBondContact N-O 3.18Å; T331-V458 VanDerWaalsContact N-O 3.11Å; T331-H459 HydrophobicContact CG2-CB 3.79Å; T331-H459 WeakPolarHBondContact O-CA 3.42Å; T331-H459 WeakPolarHBondContact O-CB 3.27Å; T331-G463 WeakPolarHBondContact O-CA 3.46Å
332Q98.7Very high90.9Very high5 Ų539 Ų392%0.02321%0.211CC..  trans-72.1162.4175.471.5177.111.100112.2K277 N307 C334K277-Q332 PolarHBondContact O-NE2 2.94Å; N307-Q332 HydrophobicContact CB-CG 4.1Å; N307-Q332 PolarHBondContact O-N 2.93Å; Q332-C334 PolarHBondContact O-N 2.78Å
333G98.7Very high93.1Very high0 Ų036.5 Ų36.50%019%0.189CC..  trans-67.9123.2168.900000110.9R279 C368 C460 S461R279-G333 PolarHBondContact NE-O 3.18Å; R279-G333 PolarHBondContact NH2-O 2.62Å; R279-G333 VanDerWaalsContact NH2-O 3.12Å; G333-C368 VanDerWaalsContact CA-SG 3.55Å; G333-C460 WeakPolarHBondContact CA-O 3.28Å; G333-C460 PolarHBondContact N-O 3.38Å; G333-C460 VanDerWaalsContact N-O 3.1Å; G333-S461 PolarHBondContact N-O 3.42Å
334C98.7Very high95Very high2 Ų228.3 Ų28.31%0.01415%0.154CC..  trans-42137.8-175.1-72.90000113.8R279 Q332 F342 C368 V369 Y371R279-C334 PolarHBondContact NH2-O 2.69Å; Q332-C334 PolarHBondContact O-N 2.78Å; C334-F342 VanDerWaalsContact SG-CB 3.6Å; C334-F342 VanDerWaalsContact SG-CD2 3.55Å; C334-F342 WeakPolarHBondContact SG-CG 3.18Å; C334-C368 PolarHBondContact N-SG 3.13Å; C334-V369 HydrophobicContact CB-CG2 3.94Å; C334-V369 WeakPolarHBondContact O-CG2 3.09Å; C334-V369 PolarHBondContact O-N 2.76Å; C334-Y371 HydrophobicContact CB-CD1 4.23Å
335L98.6Very high96.7Very high30 Ų3022.1 Ų22.116%0.15711%0.113CC..  trans-94.5164.5163.8-63172.4000109.8N276 R279 N337 T338 I339N276-L335 WeakPolarHBondContact O-CD1 3.2Å; R279-L335 HydrophobicContact CB-CD1 4.46Å; R279-L335 HydrophobicContact CB-CD2 4.04Å; R279-L335 HydrophobicContact CB-CG 4.32Å; R279-L335 HydrophobicContact CG-CD2 4.22Å; L335-N337 VanDerWaalsContact CB-OD1 3.25Å; L335-N337 WeakPolarHBondContact CB-OD1 3.29Å; L335-N337 PolarHBondContact O-N 2.86Å; L335-T338 HydrophobicContact CB-CG2 4.1Å; L335-T338 HydrophobicContact CD1-CG2 4.37Å; L335-T338 PolarHBondContact N-OG1 3.13Å; L335-T338 PolarHBondContact O-N 2.97Å; L335-T338 PolarHBondContact O-OG1 3.45Å; L335-I339 WeakPolarHBondContact O-CG1 3.42Å; L335-I339 PolarHBondContact O-N 2.81Å
336Q98.1Very high97.9Very high142 Ų14218.9 Ų18.966%0.66410%0.099SC*.THydrogen-bonded Turntrans-60.8-32.6-178.3-173.754.669.800113.3
337N97.5Very high98.3Very high77 Ų7719.8 Ų19.841%0.41210%0.103SC..THydrogen-bonded Turntrans-85.6-11.6176.258.3-48.3000114N276 L335N276-N337 PolarHBondContact O-ND2 2.99Å; N276-N337 PolarHBondContact OD1-ND2 2.99Å; L335-N337 VanDerWaalsContact CB-OD1 3.25Å; L335-N337 WeakPolarHBondContact CB-OD1 3.29Å; L335-N337 PolarHBondContact O-N 2.86Å
338T98.4Very high98.4Very high5 Ų520.7 Ų20.73%0.03110%0.104CC..SBendtrans-107.912-178.474.60000113.4K277 L335 F342K277-T338 HydrophobicContact CB-CG2 3.95Å; K277-T338 HydrophobicContact CG-CG2 4.27Å; L335-T338 HydrophobicContact CB-CG2 4.1Å; L335-T338 HydrophobicContact CD1-CG2 4.37Å; L335-T338 PolarHBondContact N-OG1 3.13Å; L335-T338 PolarHBondContact O-N 2.97Å; L335-T338 PolarHBondContact O-OG1 3.45Å; T338-F342 WeakPolarHBondContact O-CB 3.33Å; T338-F342 PolarHBondContact O-N 2.86Å
339I98.6Very high98.4Very high8 Ų823.1 Ų23.14%0.04112%0.115CC..Hα-helixtrans-68.2-40.4179.7-54.8-178.2000111.1L335 F342 W343 V369 Y381L335-I339 WeakPolarHBondContact O-CG1 3.42Å; L335-I339 PolarHBondContact O-N 2.81Å; I339-F342 PolarHBondContact O-N 2.85Å; I339-W343 VanDerWaalsContact O-CD1 3.31Å; I339-W343 PolarHBondContact O-N 3.29Å; I339-W343 VanDerWaalsContact O-N 3.16Å; I339-V369 HydrophobicContact CD1-CG2 3.68Å; I339-V369 HydrophobicContact CG1-CG2 3.85Å; I339-Y381 HydrophobicContact CB-CD1 4.3Å; I339-Y381 HydrophobicContact CG2-CD1 3.3Å; I339-Y381 HydrophobicContact CG2-CE1 3.57Å; I339-Y381 HydrophobicContact CG2-CG 3.95Å
340S97.3Very high98.4Very high35 Ų3525.4 Ų25.425%0.24513%0.127CC..Hα-helixtrans-63.1-52175.1-171.40000110.4F342 W343 R344 Y381S340-F342 VanDerWaalsContact C-N 3.27Å; S340-F342 PolarHBondContact O-N 3.45Å; S340-W343 PolarHBondContact O-N 3.46Å; S340-R344 VanDerWaalsContact O-CG 3.32Å; S340-R344 WeakPolarHBondContact O-CG 3.44Å; S340-R344 PolarHBondContact O-N 2.86Å; S340-Y381 PolarHBondContact OG-O 2.74Å
341D98.3Very high98.4Very high13 Ų1325.4 Ų25.47%0.0713%0.127CC..Hα-helixtrans-56.5-37.9177.5-66.4-12.3000112.7K277 L293 I306 R344 M345K277-D341 WeakPolarHBondContact CE-OD2 3.37Å; K277-D341 IonicContact NZ-OD2 2.77Å; K277-D341 PolarHBondContact NZ-OD2 3.02Å; L293-D341 HydrophobicContact CD1-CB 3.84Å; I306-D341 HydrophobicContact CD1-CB 4.24Å; D341-R344 IonicContact OD1-CZ 2.74Å; D341-R344 IonicContact OD1-NH1 3.13Å; D341-R344 PolarHBondContact OD1-NH1 3.45Å; D341-M345 VanDerWaalsContact O-CB 3.28Å; D341-M345 WeakPolarHBondContact O-CB 3.36Å; D341-M345 PolarHBondContact O-N 3.28Å
342F98.8Very high98.3Very high2 Ų227.5 Ų27.51%0.00914%0.135CC..Hα-helixtrans-65.2-42.3174.5178.4-89.2000112.6I306 T331 C334 T338 I339 S340 M345 V346 I354 Y371 T457I306-F342 HydrophobicContact CD1-CB 4.29Å; T331-F342 HydrophobicContact CG2-CD2 4.49Å; T331-F342 HydrophobicContact CG2-CE2 4.08Å; C334-F342 VanDerWaalsContact SG-CB 3.6Å; C334-F342 VanDerWaalsContact SG-CD2 3.55Å; C334-F342 WeakPolarHBondContact SG-CG 3.18Å; T338-F342 WeakPolarHBondContact O-CB 3.33Å; T338-F342 PolarHBondContact O-N 2.86Å; I339-F342 PolarHBondContact O-N 2.85Å; S340-F342 VanDerWaalsContact C-N 3.27Å; S340-F342 PolarHBondContact O-N 3.45Å; F342-M345 HydrophobicContact CD2-CE 4.03Å; F342-M345 HydrophobicContact CE2-CE 4.04Å; F342-M345 WeakPolarHBondContact O-CB 3.45Å; F342-M345 PolarHBondContact O-N 2.96Å; F342-V346 HydrophobicContact CD1-CG2 4.23Å; F342-V346 HydrophobicContact CE1-CG2 3.76Å; F342-V346 HydrophobicContact CE2-CG2 4.49Å; F342-V346 HydrophobicContact CZ-CG2 3.91Å; F342-V346 WeakPolarHBondContact O-CG2 3.48Å; F342-V346 PolarHBondContact O-N 3.15Å; F342-I354 HydrophobicContact CE1-CD1 4.03Å; F342-I354 HydrophobicContact CZ-CD1 4.1Å; F342-I354 HydrophobicContact CZ-CG2 4.07Å; F342-Y371 AromaticContact CD1-CD2 3.88Å; F342-Y371 HydrophobicContact CD1-CD2 3.88Å; F342-Y371 HydrophobicContact CD1-CE2 4.22Å; F342-Y371 HydrophobicContact CD1-CG 4.39Å; F342-Y371 AromaticContact CE1-CD2 3.53Å; F342-Y371 HydrophobicContact CE1-CD2 3.53Å; F342-Y371 AromaticContact CE1-CE2 3.4Å; F342-Y371 HydrophobicContact CE1-CE2 3.4Å; F342-Y371 VanDerWaalsContact CE1-CE2 3.4Å; F342-Y371 HydrophobicContact CE1-CG 4.33Å; F342-Y371 HydrophobicContact CZ-CD2 4.31Å; F342-Y371 AromaticContact CZ-CE2 3.84Å; F342-Y371 HydrophobicContact CZ-CE2 3.84Å; F342-T457 HydrophobicContact CE2-CG2 3.76Å; F342-T457 HydrophobicContact CZ-CG2 3.94Å
343W98.6Very high98.4Very high0 Ų027.3 Ų27.30%013%0.134CC..Hα-helixtrans-73.4-33.8177.7-76.2118.7000113.1I339 S340 V346 F347 I354 Y371 Y381 M384 V386 L402 L404I339-W343 VanDerWaalsContact O-CD1 3.31Å; I339-W343 PolarHBondContact O-N 3.29Å; I339-W343 VanDerWaalsContact O-N 3.16Å; S340-W343 PolarHBondContact O-N 3.46Å; W343-V346 HydrophobicContact CE3-CB 4.15Å; W343-V346 HydrophobicContact CE3-CG1 4.11Å; W343-V346 HydrophobicContact CZ3-CB 4.5Å; W343-V346 HydrophobicContact CZ3-CG1 4.05Å; W343-V346 PolarHBondContact O-N 3.15Å; W343-F347 VanDerWaalsContact O-CB 3.26Å; W343-F347 WeakPolarHBondContact O-CB 3.37Å; W343-F347 PolarHBondContact O-N 3.16Å; W343-I354 HydrophobicContact CH2-CD1 4.02Å; W343-I354 HydrophobicContact CZ3-CD1 4Å; W343-Y371 AromaticContact CE2-CD2 3.99Å; W343-Y371 HydrophobicContact CH2-CD2 4.46Å; W343-Y371 AromaticContact CZ2-CD2 3.66Å; W343-Y371 HydrophobicContact CZ2-CD2 3.66Å; W343-Y371 HydrophobicContact CZ2-CE2 4.11Å; W343-Y371 PolarHBondContact NE1-O 3.01Å; W343-Y381 AromaticContact CD1-CD2 3.68Å; W343-Y381 AromaticContact CD1-CG 3.79Å; W343-Y381 AromaticContact NE1-CD2 3.7Å; W343-Y381 AromaticContact NE1-CE2 3.83Å; W343-M384 HydrophobicContact CB-CB 3.71Å; W343-M384 HydrophobicContact CB-CG 3.95Å; W343-V386 HydrophobicContact CD2-CG2 3.75Å; W343-V386 HydrophobicContact CE3-CG2 4.07Å; W343-V386 HydrophobicContact CG-CG2 4.2Å; W343-V386 HydrophobicContact CH2-CG1 4.21Å; W343-V386 HydrophobicContact CH2-CG2 4.25Å; W343-V386 HydrophobicContact CZ2-CG1 4.05Å; W343-V386 HydrophobicContact CZ2-CG2 3.93Å; W343-V386 HydrophobicContact CZ3-CG2 4.31Å; W343-L402 HydrophobicContact CH2-CD1 3.75Å; W343-L402 HydrophobicContact CZ2-CD1 4.29Å; W343-L404 HydrophobicContact CD2-CD1 4.43Å; W343-L404 HydrophobicContact CE3-CD1 3.83Å; W343-L404 HydrophobicContact CE3-CD2 3.98Å; W343-L404 HydrophobicContact CE3-CG 4.45Å; W343-L404 HydrophobicContact CZ3-CD1 4.41Å; W343-L404 HydrophobicContact CZ3-CD2 4.22Å
344R97.9Very high98.4Very high16 Ų1627.3 Ų27.36%0.0613%0.134CC..Hα-helixtrans-58.7-49.9168.7-67.7168.256.8-146.9-0.9110.9D295 S303 S340 D341 V346 F347 Q348 M384D295-R344 VanDerWaalsContact CG-NE 3.34Å; D295-R344 IonicContact OD1-CZ 2.68Å; D295-R344 IonicContact OD1-NE 2.66Å; D295-R344 PolarHBondContact OD1-NE 3.09Å; D295-R344 IonicContact OD1-NH2 2.66Å; D295-R344 PolarHBondContact OD1-NH2 2.91Å; D295-R344 WeakPolarHBondContact OD2-CG 3.38Å; D295-R344 IonicContact OD2-NE 2.67Å; D295-R344 PolarHBondContact OD2-NE 2.9Å; S303-R344 PolarHBondContact O-NH1 3.2Å; S303-R344 PolarHBondContact O-NH2 2.86Å; S340-R344 VanDerWaalsContact O-CG 3.32Å; S340-R344 WeakPolarHBondContact O-CG 3.44Å; S340-R344 PolarHBondContact O-N 2.86Å; D341-R344 IonicContact OD1-CZ 2.74Å; D341-R344 IonicContact OD1-NH1 3.13Å; D341-R344 PolarHBondContact OD1-NH1 3.45Å; R344-V346 PolarHBondContact O-N 2.97Å; R344-F347 PolarHBondContact O-N 2.83Å; R344-Q348 WeakPolarHBondContact O-CB 3.27Å; R344-Q348 PolarHBondContact O-N 3.12Å; R344-M384 HydrophobicContact CG-CG 4.43Å
345M98.6Very high98.4Very high0 Ų027.2 Ų27.20%013%0.133CC..Hα-helixtrans-55-52.9174.8-173.1-160.472.100111.8V291 L293 I306 A308 I329 T331 D341 F342 F347 E349 T457V291-M345 HydrophobicContact CB-CG 4.32Å; V291-M345 HydrophobicContact CG1-CG 3.92Å; V291-M345 HydrophobicContact CG2-CG 4.36Å; V291-M345 HydrophobicContact CG2-SD 4.37Å; L293-M345 HydrophobicContact CD2-CB 3.76Å; L293-M345 HydrophobicContact CD2-CG 4.29Å; I306-M345 HydrophobicContact CD1-CB 4.1Å; I306-M345 HydrophobicContact CD1-CG 4.45Å; I306-M345 HydrophobicContact CD1-SD 3.83Å; I306-M345 HydrophobicContact CG1-SD 4.49Å; I306-M345 HydrophobicContact CG2-CG 4.25Å; I306-M345 HydrophobicContact CG2-SD 4.16Å; A308-M345 HydrophobicContact CB-SD 3.62Å; I329-M345 HydrophobicContact CD1-CE 4.19Å; I329-M345 HydrophobicContact CD1-CG 4.31Å; I329-M345 HydrophobicContact CD1-SD 4.35Å; I329-M345 HydrophobicContact CG2-CE 4.25Å; I329-M345 HydrophobicContact CG2-SD 3.87Å; T331-M345 HydrophobicContact CG2-CE 4.36Å; D341-M345 VanDerWaalsContact O-CB 3.28Å; D341-M345 WeakPolarHBondContact O-CB 3.36Å; D341-M345 PolarHBondContact O-N 3.28Å; F342-M345 HydrophobicContact CD2-CE 4.03Å; F342-M345 HydrophobicContact CE2-CE 4.04Å; F342-M345 WeakPolarHBondContact O-CB 3.45Å; F342-M345 PolarHBondContact O-N 2.96Å; M345-F347 VanDerWaalsContact C-N 3.32Å; M345-F347 PolarHBondContact O-N 3.37Å; M345-E349 WeakPolarHBondContact O-CB 3.45Å; M345-E349 WeakPolarHBondContact O-CG 3.33Å; M345-E349 PolarHBondContact O-N 2.94Å; M345-E349 VanDerWaalsContact O-N 3.07Å; M345-T457 HydrophobicContact CE-CG2 3.63Å
346V98.8Very high98.4Very high0 Ų025.8 Ų25.80%013%0.126CC..Hα-helixtrans-59.7-44178.1168.70000110.6F342 W343 R344 S351 I354 L404 R414 V416F342-V346 HydrophobicContact CD1-CG2 4.23Å; F342-V346 HydrophobicContact CE1-CG2 3.76Å; F342-V346 HydrophobicContact CE2-CG2 4.49Å; F342-V346 HydrophobicContact CZ-CG2 3.91Å; F342-V346 WeakPolarHBondContact O-CG2 3.48Å; F342-V346 PolarHBondContact O-N 3.15Å; W343-V346 HydrophobicContact CE3-CB 4.15Å; W343-V346 HydrophobicContact CE3-CG1 4.11Å; W343-V346 HydrophobicContact CZ3-CB 4.5Å; W343-V346 HydrophobicContact CZ3-CG1 4.05Å; W343-V346 PolarHBondContact O-N 3.15Å; R344-V346 PolarHBondContact O-N 2.97Å; V346-S351 PolarHBondContact O-N 3.14Å; V346-I354 HydrophobicContact CG1-CD1 4.29Å; V346-I354 HydrophobicContact CG2-CD1 4.04Å; V346-I354 HydrophobicContact CG2-CG1 4.42Å; V346-L404 HydrophobicContact CB-CD2 4.5Å; V346-L404 HydrophobicContact CG1-CD2 3.77Å; V346-R414 PolarHBondContact O-NH2 3.38Å; V346-V416 HydrophobicContact CG1-CG1 4.28Å; V346-V416 HydrophobicContact CG1-CG2 4.37Å
347F98.4Very high98.4Very high46 Ų4619 Ų1920%0.20210%0.095CC..Hα-helixtrans-62.5-56.6179.8-173.2-103.8000111.7W343 R344 M345 E349 N350 M384 L404 E406 T412 R414W343-F347 VanDerWaalsContact O-CB 3.26Å; W343-F347 WeakPolarHBondContact O-CB 3.37Å; W343-F347 PolarHBondContact O-N 3.16Å; R344-F347 PolarHBondContact O-N 2.83Å; M345-F347 VanDerWaalsContact C-N 3.32Å; M345-F347 PolarHBondContact O-N 3.37Å; F347-E349 PolarHBondContact O-N 3.37Å; F347-N350 PolarHBondContact O-N 3.43Å; F347-N350 VanDerWaalsContact O-N 3.17Å; F347-M384 HydrophobicContact CB-CE 4.27Å; F347-M384 HydrophobicContact CB-SD 3.58Å; F347-M384 VanDerWaalsContact CB-SD 3.58Å; F347-M384 HydrophobicContact CD1-CE 3.69Å; F347-M384 HydrophobicContact CD1-SD 3.99Å; F347-M384 HydrophobicContact CD2-CE 4.46Å; F347-M384 HydrophobicContact CD2-SD 3.79Å; F347-M384 HydrophobicContact CE1-CE 4.07Å; F347-M384 HydrophobicContact CE2-SD 4.45Å; F347-M384 HydrophobicContact CG-CE 3.9Å; F347-M384 HydrophobicContact CG-SD 3.52Å; F347-M384 VanDerWaalsContact CG-SD 3.52Å; F347-L404 HydrophobicContact CB-CD2 4.09Å; F347-L404 HydrophobicContact CD2-CD2 4.13Å; F347-L404 HydrophobicContact CD2-CG 4.13Å; F347-E406 HydrophobicContact CZ-CB 4.15Å; F347-T412 HydrophobicContact CZ-CG2 4.14Å; F347-R414 PolarHBondContact O-NH1 3.28Å; F347-R414 PolarHBondContact O-NH2 2.85Å
348Q97.9Very high98.4Very high52 Ų5215.4 Ų15.424%0.2438%0.075CC..Hα-helixtrans-54-53.4-179.5177.4-176.3-71.300112.5V292 N294 R344 N350V292-Q348 PolarHBondContact O-NE2 3.21Å; V292-Q348 PolarHBondContact O-OE1 2.97Å; N294-Q348 PolarHBondContact ND2-NE2 3.09Å; N294-Q348 PolarHBondContact ND2-OE1 2.8Å; R344-Q348 WeakPolarHBondContact O-CB 3.27Å; R344-Q348 PolarHBondContact O-N 3.12Å; Q348-N350 PolarHBondContact O-N 3.46Å
349E98.2Very high98.3Very high51 Ų5117.8 Ų17.824%0.2389%0.085CC..THydrogen-bonded Turntrans-73.67.5-174.7-61.7-59.2125.600112.9V291 I329 M345 F347 S351 G454 P455V291-E349 HydrophobicContact CG1-CG 4.03Å; I329-E349 HydrophobicContact CD1-CB 3.8Å; I329-E349 HydrophobicContact CD1-CG 3.73Å; M345-E349 WeakPolarHBondContact O-CB 3.45Å; M345-E349 WeakPolarHBondContact O-CG 3.33Å; M345-E349 PolarHBondContact O-N 2.94Å; M345-E349 VanDerWaalsContact O-N 3.07Å; F347-E349 PolarHBondContact O-N 3.37Å; E349-S351 PolarHBondContact O-N 3.34Å; E349-G454 WeakPolarHBondContact O-CA 3.26Å; E349-P455 HydrophobicContact CB-CG 4.28Å; E349-P455 WeakPolarHBondContact O-CD 3.43Å
350N97.9Very high98.2Very high47 Ų4719.9 Ų19.925%0.25110%0.095SC..THydrogen-bonded Turntrans53.420.3-176.8-165.927.4000114.2F347 Q348 R352 R414 D452 G454F347-N350 PolarHBondContact O-N 3.43Å; F347-N350 VanDerWaalsContact O-N 3.17Å; Q348-N350 PolarHBondContact O-N 3.46Å; N350-R352 PolarHBondContact ND2-NH2 3.33Å; N350-R352 WeakPolarHBondContact O-CD 3.34Å; N350-R352 WeakPolarHBondContact O-CG 3.36Å; N350-R352 PolarHBondContact O-N 2.83Å; N350-R352 PolarHBondContact O-NE 2.83Å; N350-R352 VanDerWaalsContact OD1-CZ 3.23Å; N350-R352 PolarHBondContact OD1-NE 3.45Å; N350-R352 PolarHBondContact OD1-NH2 2.9Å; N350-R414 VanDerWaalsContact CA-NH2 3.33Å; N350-D452 PolarHBondContact ND2-O 2.79Å; N350-G454 PolarHBondContact O-N 3.25Å; N350-G454 VanDerWaalsContact O-N 3.08Å
351S98.6Very high98.2Very high0 Ų022.2 Ų22.20%011%0.107CC..BIsolated β-bridgetrans-55.4132.1179.4-69.10000111.2V346 E349 R414 P455 T457V346-S351 PolarHBondContact O-N 3.14Å; E349-S351 PolarHBondContact O-N 3.34Å; S351-R414 PolarHBondContact O-NH2 2.58Å; S351-P455 VanDerWaalsContact CB-O 3.3Å; S351-P455 WeakPolarHBondContact CB-O 3.39Å; S351-P455 PolarHBondContact OG-O 2.86Å; S351-T457 PolarHBondContact OG-OG1 3.15Å
352R98.7Very high98Very high47 Ų4721.8 Ų21.818%0.17711%0.105CC..  trans-114.4-16-178.7-54.2-59.5-179.380.9-0.2113.5N350 V416 W417 I450 A453N350-R352 PolarHBondContact ND2-NH2 3.33Å; N350-R352 WeakPolarHBondContact O-CD 3.34Å; N350-R352 WeakPolarHBondContact O-CG 3.36Å; N350-R352 PolarHBondContact O-N 2.83Å; N350-R352 PolarHBondContact O-NE 2.83Å; N350-R352 VanDerWaalsContact OD1-CZ 3.23Å; N350-R352 PolarHBondContact OD1-NE 3.45Å; N350-R352 PolarHBondContact OD1-NH2 2.9Å; R352-V416 CarbonylContact O-C 3.52Å; R352-V416 WeakPolarHBondContact O-CA 3.34Å; R352-W417 PolarHBondContact O-N 3.21Å; R352-I450 HydrophobicContact CB-CD1 3.94Å; R352-I450 HydrophobicContact CB-CG2 4.26Å; R352-I450 HydrophobicContact CG-CG2 3.89Å; R352-A453 HydrophobicContact CB-CB 3.99Å; R352-A453 HydrophobicContact CG-CB 3.61Å
353V98.9Very high97.5Very high0 Ų030.3 Ų30.30%014%0.137CC..EExtended strand (participates in β ladder)trans-128.7134.7177.1-175.70000109.6V355 W417 Y419 V443 K446 Q447 I456 T457V353-V355 HydrophobicContact CG1-CG2 4.35Å; V353-W417 WeakPolarHBondContact CA-O 3.48Å; V353-Y419 HydrophobicContact CG1-CD2 3.8Å; V353-Y419 HydrophobicContact CG1-CE2 4.12Å; V353-V443 HydrophobicContact CG1-CG1 4.23Å; V353-K446 HydrophobicContact CG2-CB 4.41Å; V353-K446 HydrophobicContact CG2-CG 4Å; V353-Q447 HydrophobicContact CG2-CB 4.31Å; V353-I456 HydrophobicContact CB-CG1 4.41Å; V353-I456 HydrophobicContact CB-CG2 4.3Å; V353-I456 HydrophobicContact CG1-CG2 4.21Å; V353-T457 PolarHBondContact O-N 3.07Å
354I98.9Very high97.2Very high0 Ų033.8 Ų33.80%017%0.173CC..EExtended strand (participates in β ladder)trans-121.9124.2175-57.4170.9000108.5F342 W343 V346 Y371 V416 W417 Q418 Y419 T457F342-I354 HydrophobicContact CE1-CD1 4.03Å; F342-I354 HydrophobicContact CZ-CD1 4.1Å; F342-I354 HydrophobicContact CZ-CG2 4.07Å; W343-I354 HydrophobicContact CH2-CD1 4.02Å; W343-I354 HydrophobicContact CZ3-CD1 4Å; V346-I354 HydrophobicContact CG1-CD1 4.29Å; V346-I354 HydrophobicContact CG2-CD1 4.04Å; V346-I354 HydrophobicContact CG2-CG1 4.42Å; I354-Y371 HydrophobicContact CD1-CE2 4.49Å; I354-Y371 WeakPolarHBondContact CG2-OH 3.24Å; I354-V416 HydrophobicContact CD1-CG1 3.59Å; I354-V416 HydrophobicContact CG1-CG1 3.78Å; I354-W417 PolarHBondContact N-O 2.96Å; I354-Q418 HydrophobicContact CB-CG 4.37Å; I354-Q418 HydrophobicContact CG2-CG 4.4Å; I354-Q418 CarbonylContact O-C 3.52Å; I354-Q418 WeakPolarHBondContact O-CA 3.41Å; I354-Y419 PolarHBondContact O-N 3.39Å; I354-T457 CarbonylContact C-O 3.5Å; I354-T457 VanDerWaalsContact CA-O 3.3Å; I354-T457 WeakPolarHBondContact CA-O 3.2Å; I354-T457 HydrophobicContact CG2-CG2 4.34Å
355V98.9Very high97Very high0 Ų039.4 Ų39.40%020%0.198CC..EExtended strand (participates in β ladder)trans-108119.4177.9178.70000109.7V353 T357 Y419 F439 V443 I456 T457 V458 H459 F470V353-V355 HydrophobicContact CG1-CG2 4.35Å; V355-T357 HydrophobicContact CG1-CG2 3.96Å; V355-Y419 WeakPolarHBondContact CA-O 3.33Å; V355-F439 HydrophobicContact CG1-CE1 3.81Å; V355-F439 HydrophobicContact CG1-CZ 3.96Å; V355-V443 HydrophobicContact CG2-CG1 3.96Å; V355-V443 HydrophobicContact CG2-CG2 3.86Å; V355-I456 HydrophobicContact CG2-CG2 3.76Å; V355-T457 PolarHBondContact N-O 3.12Å; V355-V458 HydrophobicContact CB-CB 4.44Å; V355-V458 HydrophobicContact CB-CG1 4.16Å; V355-V458 HydrophobicContact CB-CG2 4.2Å; V355-V458 HydrophobicContact CG1-CG1 4.16Å; V355-V458 WeakPolarHBondContact O-CA 3.43Å; V355-H459 PolarHBondContact O-N 3.08Å; V355-F470 HydrophobicContact CB-CE1 4.46Å; V355-F470 HydrophobicContact CG1-CD1 4.23Å; V355-F470 HydrophobicContact CG1-CE1 4Å; V355-F470 HydrophobicContact CG1-CE2 4.31Å; V355-F470 HydrophobicContact CG1-CZ 4.04Å; V355-F470 HydrophobicContact CG2-CE1 4.15Å; V355-F470 HydrophobicContact CG2-CZ 4.28Å
356M98.8Very high96.9Very high0 Ų042.2 Ų42.20%022%0.217CC..EExtended strand (participates in β ladder)trans-114.6114179.9174.9165.3-179.800109.7T358 E360 C368 Y371 W372 Y419 H420 F421 H459M356-T358 HydrophobicContact CE-CG2 4.31Å; M356-T358 VanDerWaalsContact CE-O 3.26Å; M356-T358 WeakPolarHBondContact CE-O 3.37Å; M356-E360 HydrophobicContact CE-CG 4.28Å; M356-C368 HydrophobicContact CE-CB 3.81Å; M356-Y371 HydrophobicContact SD-CE1 3.89Å; M356-W372 HydrophobicContact CE-CH2 4Å; M356-W372 HydrophobicContact CE-CZ3 4.15Å; M356-W372 HydrophobicContact SD-CH2 3.92Å; M356-W372 HydrophobicContact SD-CZ3 3.76Å; M356-Y419 PolarHBondContact N-O 3.09Å; M356-H420 HydrophobicContact CB-CB 4.34Å; M356-H420 VanDerWaalsContact SD-CE1 3.6Å; M356-F421 PolarHBondContact O-N 3.36Å; M356-H459 VanDerWaalsContact CG-CE1 3.41Å; M356-H459 WeakPolarHBondContact CG-CE1 3.09Å; M356-H459 VanDerWaalsContact SD-CE1 3.51Å
357T98.3Very high96.8Very high1 Ų143.1 Ų43.11%0.00622%0.221CC..  trans-10627-17259.20000113.8V355 H459 C460 R466V355-T357 HydrophobicContact CG1-CG2 3.96Å; T357-H459 PolarHBondContact N-O 2.74Å; T357-H459 PolarHBondContact OG1-O 3.07Å; T357-C460 VanDerWaalsContact OG1-CB 3.29Å; T357-C460 WeakPolarHBondContact OG1-CB 3.45Å; T357-R466 WeakPolarHBondContact O-CD 3.33Å; T357-R466 PolarHBondContact O-NH1 3.16Å
358T96.9Very high96.8Very high1 Ų141 Ų411%0.00621%0.212CC..SBendtrans-150.4150.3-178.6-1690000110.5M356 E362 K367 C368 H420 R466M356-T358 HydrophobicContact CE-CG2 4.31Å; M356-T358 VanDerWaalsContact CE-O 3.26Å; M356-T358 WeakPolarHBondContact CE-O 3.37Å; T358-E362 WeakPolarHBondContact CA-OE1 3.44Å; T358-E362 WeakPolarHBondContact CB-OE1 3.44Å; T358-E362 VanDerWaalsContact OG1-CD 3.31Å; T358-E362 PolarHBondContact OG1-OE1 2.94Å; T358-K367 HydrophobicContact CG2-CB 4.09Å; T358-K367 VanDerWaalsContact OG1-CB 3.27Å; T358-K367 WeakPolarHBondContact OG1-CB 3.22Å; T358-C368 HydrophobicContact CG2-CB 4.12Å; T358-H420 PolarHBondContact O-NE2 2.77Å; T358-R466 PolarHBondContact OG1-NH1 2.86Å
359K97.3Very high96.8Very high54 Ų5439.9 Ų39.924%0.23521%0.209CC..  trans-75.3156.3168.6-54.1161.3-159.4151.10108.3V361 E362 K367 R422 D426K359-V361 PolarHBondContact O-N 2.81Å; K359-E362 HydrophobicContact CB-CG 3.88Å; K359-E362 HydrophobicContact CD-CG 4.17Å; K359-E362 HydrophobicContact CG-CG 4.36Å; K359-E362 PolarHBondContact N-OE1 3.49Å; K359-K367 WeakPolarHBondContact O-CB 3.44Å; K359-R422 WeakPolarHBondContact CE-O 3.47Å; K359-D426 IonicContact NZ-OD1 2.86Å; K359-D426 PolarHBondContact NZ-OD1 2.82Å
360E96.9Very high96.8Very high53 Ų5340.7 Ų40.725%0.24821%0.211CC..SBendtrans-58-34.4178.2-66.8131.7-87.600112.8M356 S366 K367 C368 W372 H420 R422M356-E360 HydrophobicContact CE-CG 4.28Å; E360-S366 WeakPolarHBondContact O-CA 3.42Å; E360-K367 PolarHBondContact O-N 3.22Å; E360-C368 VanDerWaalsContact CA-O 3.28Å; E360-C368 WeakPolarHBondContact CA-O 3.47Å; E360-C368 WeakPolarHBondContact CB-O 3.36Å; E360-C368 PolarHBondContact O-N 3.2Å; E360-C368 VanDerWaalsContact O-O 3.12Å; E360-W372 HydrophobicContact CG-CH2 3.91Å; E360-H420 IonicContact OE1-CE1 3.62Å; E360-R422 IonicContact OE1-NH1 2.86Å; E360-R422 PolarHBondContact OE1-NH1 3.36Å; E360-R422 VanDerWaalsContact OE1-NH1 3.1Å
361V96.5Very high96.8Very high83 Ų8338.4 Ų38.450%0.50320%0.199SC..EExtended strand (participates in β ladder)trans-133.2133.2174.9-179.30000109.2K359 K365K359-V361 PolarHBondContact O-N 2.81Å; V361-K365 WeakPolarHBondContact CA-O 3.25Å
362E93.3Very high96.9Very high5 Ų538.7 Ų38.72%0.02320%0.2CC..EExtended strand (participates in β ladder)trans-133.9134.7175.6-68.1177.3-167.800108.8T358 K359 G364 K365 K367 D426 R466T358-E362 WeakPolarHBondContact CA-OE1 3.44Å; T358-E362 WeakPolarHBondContact CB-OE1 3.44Å; T358-E362 VanDerWaalsContact OG1-CD 3.31Å; T358-E362 PolarHBondContact OG1-OE1 2.94Å; K359-E362 HydrophobicContact CB-CG 3.88Å; K359-E362 HydrophobicContact CD-CG 4.17Å; K359-E362 HydrophobicContact CG-CG 4.36Å; K359-E362 PolarHBondContact N-OE1 3.49Å; E362-G364 PolarHBondContact O-N 2.87Å; E362-K365 PolarHBondContact N-O 3.33Å; E362-K365 PolarHBondContact O-N 3.18Å; E362-K367 HydrophobicContact CB-CD 4.36Å; E362-K367 HydrophobicContact CB-CG 3.84Å; E362-K367 HydrophobicContact CG-CG 3.92Å; E362-K367 VanDerWaalsContact OE2-CE 3.25Å; E362-K367 WeakPolarHBondContact OE2-CE 3.38Å; E362-K367 IonicContact OE2-NZ 2.73Å; E362-D426 HydrophobicContact CB-CB 4.5Å; E362-R466 IonicContact OE1-CZ 2.76Å; E362-R466 IonicContact OE1-NH1 2.68Å; E362-R466 PolarHBondContact OE1-NH1 2.86Å; E362-R466 IonicContact OE1-NH2 3.32Å; E362-R466 IonicContact OE2-CZ 3.8Å; E362-R466 IonicContact OE2-NH1 3.51Å; E362-R466 PolarHBondContact OE2-NH1 2.72Å; E362-R466 IonicContact OE2-NH2 2.69Å; E362-R466 PolarHBondContact OE2-NH2 3.09Å
363R89.5Confident96.8Very high181 Ų18136.8 Ų36.868%0.68319%0.194SC*.THydrogen-bonded Turntrans42.439.2-171.5-46.5-170.771.7-138.62114.7K365 D426 H427R363-K365 VanDerWaalsContact C-N 3.3Å; R363-K365 PolarHBondContact O-N 3.5Å; R363-D426 HydrophobicContact CG-CB 3.8Å; R363-D426 WeakPolarHBondContact CG-OD2 3.47Å; R363-D426 PolarHBondContact N-OD2 3.32Å; R363-H427 PolarHBondContact NH1-NE2 2.99Å; R363-H427 VanDerWaalsContact NH1-NE2 3.19Å
364G91.8Very high96.8Very high73 Ų7342.2 Ų42.275%0.75322%0.219SC*.THydrogen-bonded Turntrans76.14.5-179.300000116E362E362-G364 PolarHBondContact O-N 2.87Å
365K92.9Very high96.7Very high134 Ų13447.3 Ų47.358%0.58325%0.245SC*.EExtended strand (participates in β ladder)trans-107.8132.5176.6-61.8-176.5-179.5-177.30110.3V361 E362 R363 K367V361-K365 WeakPolarHBondContact CA-O 3.25Å; E362-K365 PolarHBondContact N-O 3.33Å; E362-K365 PolarHBondContact O-N 3.18Å; R363-K365 VanDerWaalsContact C-N 3.3Å; R363-K365 PolarHBondContact O-N 3.5Å; K365-K367 PolarHBondContact O-N 2.8Å
366S96.6Very high96.6Very high59 Ų5952 Ų5241%0.41328%0.277SS..EExtended strand (participates in β ladder)trans-65.2126.3172.4174.80000110.4R279 E360R279-S366 PolarHBondContact NH1-O 2.86Å; E360-S366 WeakPolarHBondContact O-CA 3.42Å
367K97.3Very high96.5Very high19 Ų1953.7 Ų53.78%0.08329%0.292CS..SBendtrans-101.9-33.8175.5-61-78.6-167.91640111.6D61 R279 T358 K359 E360 E362 K365 S461D61-K367 IonicContact OD2-NZ 2.78Å; D61-K367 PolarHBondContact OD2-NZ 2.74Å; R279-K367 VanDerWaalsContact CZ-C 3.49Å; R279-K367 PolarHBondContact NE-O 2.93Å; R279-K367 VanDerWaalsContact NE-O 3.11Å; R279-K367 PolarHBondContact NH1-O 3.13Å; R279-K367 PolarHBondContact NH2-O 2.99Å; T358-K367 HydrophobicContact CG2-CB 4.09Å; T358-K367 VanDerWaalsContact OG1-CB 3.27Å; T358-K367 WeakPolarHBondContact OG1-CB 3.22Å; K359-K367 WeakPolarHBondContact O-CB 3.44Å; E360-K367 PolarHBondContact O-N 3.22Å; E362-K367 HydrophobicContact CB-CD 4.36Å; E362-K367 HydrophobicContact CB-CG 3.84Å; E362-K367 HydrophobicContact CG-CG 3.92Å; E362-K367 VanDerWaalsContact OE2-CE 3.25Å; E362-K367 WeakPolarHBondContact OE2-CE 3.38Å; E362-K367 IonicContact OE2-NZ 2.73Å; K365-K367 PolarHBondContact O-N 2.8Å; K367-S461 WeakPolarHBondContact CA-OG 3.38Å; K367-S461 PolarHBondContact O-OG 3.48Å
368C98.4Very high96.5Very high1 Ų158 Ų581%0.00731%0.314CS..SBendtrans-154.4138.5178-172.10000108.9G333 C334 M356 T358 E360G333-C368 VanDerWaalsContact CA-SG 3.55Å; C334-C368 PolarHBondContact N-SG 3.13Å; M356-C368 HydrophobicContact CE-CB 3.81Å; T358-C368 HydrophobicContact CG2-CB 4.12Å; E360-C368 VanDerWaalsContact CA-O 3.28Å; E360-C368 WeakPolarHBondContact CA-O 3.47Å; E360-C368 WeakPolarHBondContact CB-O 3.36Å; E360-C368 PolarHBondContact O-N 3.2Å; E360-C368 VanDerWaalsContact O-O 3.12Å
369V98.3Very high96.5Very high29 Ų2963 Ų6318%0.17634%0.336CS..  trans-82.8153.8172.3-50.80000110.8C334 I339 Y371C334-V369 HydrophobicContact CB-CG2 3.94Å; C334-V369 WeakPolarHBondContact O-CG2 3.09Å; C334-V369 PolarHBondContact O-N 2.76Å; I339-V369 HydrophobicContact CD1-CG2 3.68Å; I339-V369 HydrophobicContact CG1-CG2 3.85Å; V369-Y371 WeakPolarHBondContact O-CD1 3.35Å; V369-Y371 PolarHBondContact O-N 3.47Å
370K98.5Very high96.6Very high67 Ų6764.9 Ų64.929%0.29135%0.345SS..  trans-68.6103177.2-176.5167.6-177.21720111.4W372 E374K370-W372 HydrophobicContact CD-CZ2 4.36Å; K370-W372 WeakPolarHBondContact CE-O 3.44Å; K370-W372 HydrophobicContact CG-CD2 3.95Å; K370-W372 HydrophobicContact CG-CE3 4.23Å; K370-W372 HydrophobicContact CG-CG 4.44Å; K370-W372 HydrophobicContact CG-CH2 4.26Å; K370-W372 HydrophobicContact CG-CZ2 4Å; K370-W372 HydrophobicContact CG-CZ3 4.37Å; K370-W372 WeakPolarHBondContact CG-O 3.34Å; K370-E374 IonicContact NZ-OE1 3.95Å; K370-E374 PolarHBondContact NZ-OE1 2.98Å; K370-E374 IonicContact NZ-OE2 3.76Å; K370-E374 PolarHBondContact NZ-OE2 2.89Å
371Y98.6Very high96.6Very high0 Ų063 Ų630%034%0.336CS..  trans-94.32.7-179.361.6-89.6000114.1C334 F342 W343 I354 M356 V369 Y381 Q418 H459C334-Y371 HydrophobicContact CB-CD1 4.23Å; F342-Y371 AromaticContact CD1-CD2 3.88Å; F342-Y371 HydrophobicContact CD1-CD2 3.88Å; F342-Y371 HydrophobicContact CD1-CE2 4.22Å; F342-Y371 HydrophobicContact CD1-CG 4.39Å; F342-Y371 AromaticContact CE1-CD2 3.53Å; F342-Y371 HydrophobicContact CE1-CD2 3.53Å; F342-Y371 AromaticContact CE1-CE2 3.4Å; F342-Y371 HydrophobicContact CE1-CE2 3.4Å; F342-Y371 VanDerWaalsContact CE1-CE2 3.4Å; F342-Y371 HydrophobicContact CE1-CG 4.33Å; F342-Y371 HydrophobicContact CZ-CD2 4.31Å; F342-Y371 AromaticContact CZ-CE2 3.84Å; F342-Y371 HydrophobicContact CZ-CE2 3.84Å; W343-Y371 AromaticContact CE2-CD2 3.99Å; W343-Y371 HydrophobicContact CH2-CD2 4.46Å; W343-Y371 AromaticContact CZ2-CD2 3.66Å; W343-Y371 HydrophobicContact CZ2-CD2 3.66Å; W343-Y371 HydrophobicContact CZ2-CE2 4.11Å; W343-Y371 PolarHBondContact NE1-O 3.01Å; I354-Y371 HydrophobicContact CD1-CE2 4.49Å; I354-Y371 WeakPolarHBondContact CG2-OH 3.24Å; M356-Y371 HydrophobicContact SD-CE1 3.89Å; V369-Y371 WeakPolarHBondContact O-CD1 3.35Å; V369-Y371 PolarHBondContact O-N 3.47Å; Y371-Y381 VanDerWaalsContact O-CZ 3.25Å; Y371-Y381 PolarHBondContact O-OH 2.91Å; Y371-Q418 PolarHBondContact OH-NE2 3.39Å; Y371-H459 AromaticContact CE1-CE1 3.6Å; Y371-H459 AromaticContact CE1-NE2 3.59Å; Y371-H459 AromaticContact CZ-CE1 4Å; Y371-H459 AromaticContact CZ-NE2 3.51Å; Y371-H459 PolarHBondContact OH-NE2 2.92Å
372W98.7Very high96.4Very high5 Ų561.7 Ų61.72%0.01934%0.339CS..SBendtrans-118.9151178.663.396.2000111.4M356 E360 K370 Y381 R400 L402 H420M356-W372 HydrophobicContact CE-CH2 4Å; M356-W372 HydrophobicContact CE-CZ3 4.15Å; M356-W372 HydrophobicContact SD-CH2 3.92Å; M356-W372 HydrophobicContact SD-CZ3 3.76Å; E360-W372 HydrophobicContact CG-CH2 3.91Å; K370-W372 HydrophobicContact CD-CZ2 4.36Å; K370-W372 WeakPolarHBondContact CE-O 3.44Å; K370-W372 HydrophobicContact CG-CD2 3.95Å; K370-W372 HydrophobicContact CG-CE3 4.23Å; K370-W372 HydrophobicContact CG-CG 4.44Å; K370-W372 HydrophobicContact CG-CH2 4.26Å; K370-W372 HydrophobicContact CG-CZ2 4Å; K370-W372 HydrophobicContact CG-CZ3 4.37Å; K370-W372 WeakPolarHBondContact CG-O 3.34Å; W372-Y381 VanDerWaalsContact C-OH 3.23Å; W372-Y381 WeakPolarHBondContact CA-OH 3.36Å; W372-R400 VanDerWaalsContact CD1-CD 3.46Å; W372-L402 HydrophobicContact CB-CD1 4.27Å; W372-H420 AromaticContact CH2-CE1 3.59Å; W372-H420 AromaticContact CH2-ND1 3.66Å; W372-H420 AromaticContact CZ2-CE1 3.89Å; W372-H420 AromaticContact CZ2-ND1 3.79Å
373P98.2Very high96.4Very high8 Ų863.7 Ų63.75%0.05236%0.356CS..PPolyproline II helixtrans-75.1166.9176.330.3-33000112.2A377 K379 V386 N388P373-A377 HydrophobicContact CB-CB 4.19Å; P373-A377 WeakPolarHBondContact CG-O 3.44Å; P373-K379 HydrophobicContact CB-CB 3.92Å; P373-K379 HydrophobicContact CG-CB 4.46Å; P373-V386 HydrophobicContact CG-CG1 4.3Å; P373-N388 HydrophobicContact CG-CB 3.87Å; P373-N388 WeakPolarHBondContact O-CB 3.39Å; P373-N388 PolarHBondContact O-ND2 3Å
374E97.7Very high96.8Very high113 Ų11355.1 Ų55.153%0.52832%0.324SS..PPolyproline II helixtrans-61.8158.6170.4-55.2-53.5156.300112K370 S376 A377 N388K370-E374 IonicContact NZ-OE1 3.95Å; K370-E374 PolarHBondContact NZ-OE1 2.98Å; K370-E374 IonicContact NZ-OE2 3.76Å; K370-E374 PolarHBondContact NZ-OE2 2.89Å; E374-S376 PolarHBondContact O-N 3.48Å; E374-A377 HydrophobicContact CB-CB 4.28Å; E374-A377 VanDerWaalsContact O-CB 3.26Å; E374-A377 WeakPolarHBondContact O-CB 3.3Å; E374-A377 PolarHBondContact O-N 2.99Å; E374-N388 WeakPolarHBondContact O-CB 3.37Å
375M97.4Very high97.1Very high108 Ų10855.1 Ų55.153%0.53230%0.301SS..THydrogen-bonded Turntrans-53.3136.4177.1-168177.672.400111.4A377 N388 E391M375-A377 PolarHBondContact O-N 3.46Å; M375-A377 VanDerWaalsContact O-N 3.15Å; M375-N388 PolarHBondContact N-ND2 3.37Å; M375-E391 HydrophobicContact CB-CG 4.19Å; M375-E391 HydrophobicContact CG-CG 4.24Å; M375-E391 HydrophobicContact SD-CB 4.23Å; M375-E391 HydrophobicContact SD-CG 4.37Å
376S95.9Very high97.3Very high97 Ų9748.7 Ų48.768%0.67827%0.273SS*.THydrogen-bonded Turntrans65.4-5.5-171.9-53.10000116.1E374 N388E374-S376 PolarHBondContact O-N 3.48Å; S376-N388 VanDerWaalsContact CA-O 3.27Å; S376-N388 WeakPolarHBondContact CA-O 3.47Å; S376-N388 PolarHBondContact N-O 3.18Å
377A98.1Very high97.4Very high37 Ų3751.4 Ų51.431%0.30627%0.274SS..  trans-88.1154.9179.700000113.1P373 E374 M375 R387 N388P373-A377 HydrophobicContact CB-CB 4.19Å; P373-A377 WeakPolarHBondContact CG-O 3.44Å; E374-A377 HydrophobicContact CB-CB 4.28Å; E374-A377 VanDerWaalsContact O-CB 3.26Å; E374-A377 WeakPolarHBondContact O-CB 3.3Å; E374-A377 PolarHBondContact O-N 2.99Å; M375-A377 PolarHBondContact O-N 3.46Å; M375-A377 VanDerWaalsContact O-N 3.15Å; A377-R387 WeakPolarHBondContact O-CA 3.36Å; A377-N388 PolarHBondContact O-N 3.04Å; A377-N388 VanDerWaalsContact O-N 3.09Å
378L97.6Very high97.5Very high90 Ų9050.5 Ų50.547%0.47127%0.27SS..EExtended strand (participates in β ladder)trans-110.6140.1173.6-171.676.3000108.7R385 V386 R387L378-R385 HydrophobicContact CD1-CG 3.82Å; L378-R385 HydrophobicContact CD2-CG 4.45Å; L378-R385 HydrophobicContact CG-CG 4.25Å; L378-V386 WeakPolarHBondContact CA-O 3.3Å; L378-R387 HydrophobicContact CD1-CB 3.68Å; L378-R387 HydrophobicContact CD1-CG 4.07Å
379K98.1Very high97.5Very high107 Ų10753 Ų5347%0.46529%0.285SS..EExtended strand (participates in β ladder)trans-146.4147.6172.3-176.1162173.3176.40111.6P373 Y381 V386P373-K379 HydrophobicContact CB-CB 3.92Å; P373-K379 HydrophobicContact CG-CB 4.46Å; K379-Y381 HydrophobicContact CB-CE2 3.97Å; K379-Y381 HydrophobicContact CD-CE1 3.85Å; K379-Y381 HydrophobicContact CD-CE2 4.4Å; K379-Y381 HydrophobicContact CG-CD2 4.46Å; K379-Y381 HydrophobicContact CG-CE1 4.05Å; K379-Y381 HydrophobicContact CG-CE2 3.95Å; K379-V386 PolarHBondContact N-O 3.09Å; K379-V386 PolarHBondContact O-N 2.6Å
380E98.1Very high97.5Very high93 Ų9357 Ų5744%0.43530%0.301SS..EExtended strand (participates in β ladder)trans-105.7144.7176.2-61.5-178.9158.800110.1M384 R385 V407E380-M384 CarbonylContact C-O 3.58Å; E380-M384 WeakPolarHBondContact CA-O 3.48Å; E380-R385 HydrophobicContact CG-CB 4.12Å; E380-R385 HydrophobicContact CG-CG 4.15Å; E380-R385 IonicContact OE1-CZ 2.65Å; E380-R385 IonicContact OE1-NE 3.62Å; E380-R385 PolarHBondContact OE1-NE 3.26Å; E380-R385 IonicContact OE1-NH2 2.79Å; E380-R385 PolarHBondContact OE1-NH2 2.93Å; E380-V407 HydrophobicContact CB-CG2 4.48Å; E380-V407 HydrophobicContact CG-CG2 4.12Å
381Y96.3Very high97.5Very high15 Ų1555.7 Ų55.76%0.05930%0.295CS..EExtended strand (participates in β ladder)trans-140.576-171.1-62.2-76.2000107.6I339 S340 W343 Y371 W372 K379 M384 V386I339-Y381 HydrophobicContact CB-CD1 4.3Å; I339-Y381 HydrophobicContact CG2-CD1 3.3Å; I339-Y381 HydrophobicContact CG2-CE1 3.57Å; I339-Y381 HydrophobicContact CG2-CG 3.95Å; S340-Y381 PolarHBondContact OG-O 2.74Å; W343-Y381 AromaticContact CD1-CD2 3.68Å; W343-Y381 AromaticContact CD1-CG 3.79Å; W343-Y381 AromaticContact NE1-CD2 3.7Å; W343-Y381 AromaticContact NE1-CE2 3.83Å; Y371-Y381 VanDerWaalsContact O-CZ 3.25Å; Y371-Y381 PolarHBondContact O-OH 2.91Å; W372-Y381 VanDerWaalsContact C-OH 3.23Å; W372-Y381 WeakPolarHBondContact CA-OH 3.36Å; K379-Y381 HydrophobicContact CB-CE2 3.97Å; K379-Y381 HydrophobicContact CD-CE1 3.85Å; K379-Y381 HydrophobicContact CD-CE2 4.4Å; K379-Y381 HydrophobicContact CG-CD2 4.46Å; K379-Y381 HydrophobicContact CG-CE1 4.05Å; K379-Y381 HydrophobicContact CG-CE2 3.95Å; Y381-M384 PolarHBondContact N-O 3.07Å; Y381-M384 PolarHBondContact O-N 3.21Å; Y381-V386 HydrophobicContact CD2-CB 4.25Å; Y381-V386 HydrophobicContact CD2-CG2 3.96Å; Y381-V386 HydrophobicContact CE2-CB 4.04Å; Y381-V386 HydrophobicContact CE2-CG2 4.15Å
382G93.6Very high97.5Very high54 Ų5458.8 Ų58.856%0.55731%0.314SS*.THydrogen-bonded Turntrans66.7-136.3-16600000110.8M384G382-M384 PolarHBondContact O-N 2.88Å; G382-M384 VanDerWaalsContact O-N 3.16Å
383A92.9Very high97.4Very high47 Ų4766.5 Ų66.539%0.38835%0.348SS..THydrogen-bonded Turntrans-65.9-10176.500000114.2V407A383-V407 WeakPolarHBondContact O-CG2 3.42Å; A383-V407 PolarHBondContact O-N 2.97Å
384M97.1Very high97.2Very high1 Ų168.4 Ų68.41%0.00536%0.364CS..EExtended strand (participates in β ladder)trans-101.7130.6-175-65.9-63128.600112.6W343 R344 F347 E380 Y381 G382 L404 E406W343-M384 HydrophobicContact CB-CB 3.71Å; W343-M384 HydrophobicContact CB-CG 3.95Å; R344-M384 HydrophobicContact CG-CG 4.43Å; F347-M384 HydrophobicContact CB-CE 4.27Å; F347-M384 HydrophobicContact CB-SD 3.58Å; F347-M384 VanDerWaalsContact CB-SD 3.58Å; F347-M384 HydrophobicContact CD1-CE 3.69Å; F347-M384 HydrophobicContact CD1-SD 3.99Å; F347-M384 HydrophobicContact CD2-CE 4.46Å; F347-M384 HydrophobicContact CD2-SD 3.79Å; F347-M384 HydrophobicContact CE1-CE 4.07Å; F347-M384 HydrophobicContact CE2-SD 4.45Å; F347-M384 HydrophobicContact CG-CE 3.9Å; F347-M384 HydrophobicContact CG-SD 3.52Å; F347-M384 VanDerWaalsContact CG-SD 3.52Å; E380-M384 CarbonylContact C-O 3.58Å; E380-M384 WeakPolarHBondContact CA-O 3.48Å; Y381-M384 PolarHBondContact N-O 3.07Å; Y381-M384 PolarHBondContact O-N 3.21Å; G382-M384 PolarHBondContact O-N 2.88Å; G382-M384 VanDerWaalsContact O-N 3.16Å; M384-L404 HydrophobicContact CB-CD1 4.16Å; M384-L404 HydrophobicContact SD-CD1 4.17Å; M384-E406 HydrophobicContact CE-CB 4.07Å; M384-E406 HydrophobicContact CE-CG 3.99Å
385R98.1Very high97Very high73 Ų7371 Ų7128%0.27538%0.376SS..EExtended strand (participates in β ladder)trans-111.7126.2179174.4-175-70.7162.8-3.6110.2L378 E380 S405 V407L378-R385 HydrophobicContact CD1-CG 3.82Å; L378-R385 HydrophobicContact CD2-CG 4.45Å; L378-R385 HydrophobicContact CG-CG 4.25Å; E380-R385 HydrophobicContact CG-CB 4.12Å; E380-R385 HydrophobicContact CG-CG 4.15Å; E380-R385 IonicContact OE1-CZ 2.65Å; E380-R385 IonicContact OE1-NE 3.62Å; E380-R385 PolarHBondContact OE1-NE 3.26Å; E380-R385 IonicContact OE1-NH2 2.79Å; E380-R385 PolarHBondContact OE1-NH2 2.93Å; R385-S405 PolarHBondContact N-O 3.32Å; R385-S405 PolarHBondContact O-N 3.08Å; R385-S405 PolarHBondContact O-OG 2.71Å; R385-V407 HydrophobicContact CB-CG2 3.92Å
386V98.7Very high96.9Very high0 Ų067.5 Ų67.50%036%0.36CS..EExtended strand (participates in β ladder)trans-124.7132.4-176.7-177.30000111W343 P373 L378 K379 Y381 L402 K403 L404W343-V386 HydrophobicContact CD2-CG2 3.75Å; W343-V386 HydrophobicContact CE3-CG2 4.07Å; W343-V386 HydrophobicContact CG-CG2 4.2Å; W343-V386 HydrophobicContact CH2-CG1 4.21Å; W343-V386 HydrophobicContact CH2-CG2 4.25Å; W343-V386 HydrophobicContact CZ2-CG1 4.05Å; W343-V386 HydrophobicContact CZ2-CG2 3.93Å; W343-V386 HydrophobicContact CZ3-CG2 4.31Å; P373-V386 HydrophobicContact CG-CG1 4.3Å; L378-V386 WeakPolarHBondContact CA-O 3.3Å; K379-V386 PolarHBondContact N-O 3.09Å; K379-V386 PolarHBondContact O-N 2.6Å; Y381-V386 HydrophobicContact CD2-CB 4.25Å; Y381-V386 HydrophobicContact CD2-CG2 3.96Å; Y381-V386 HydrophobicContact CE2-CB 4.04Å; Y381-V386 HydrophobicContact CE2-CG2 4.15Å; V386-L402 HydrophobicContact CG1-CB 4.33Å; V386-K403 CarbonylContact C-O 3.5Å; V386-K403 VanDerWaalsContact CA-O 3.29Å; V386-K403 WeakPolarHBondContact CA-O 3.32Å; V386-L404 HydrophobicContact CG2-CD1 3.82Å
387R98.6Very high97Very high115 Ų11564.1 Ų64.143%0.43433%0.333SS..EExtended strand (participates in β ladder)trans-112.6135.5167.8-161.5-173.9-56.6-155.12.3109.8A377 L378 L402 K403A377-R387 WeakPolarHBondContact O-CA 3.36Å; L378-R387 HydrophobicContact CD1-CB 3.68Å; L378-R387 HydrophobicContact CD1-CG 4.07Å; R387-L402 CarbonylContact O-C 3.54Å; R387-L402 VanDerWaalsContact O-CA 3.25Å; R387-L402 WeakPolarHBondContact O-CA 3.45Å; R387-K403 HydrophobicContact CB-CB 4.29Å; R387-K403 PolarHBondContact N-O 3.26Å; R387-K403 PolarHBondContact O-N 2.84Å
388N98.7Very high97Very high0 Ų063.6 Ų63.60%033%0.325CS..EExtended strand (participates in β ladder)trans-93.5105.1167.9178.5-4.2000107.9P373 E374 M375 S376 A377 E391 L402P373-N388 HydrophobicContact CG-CB 3.87Å; P373-N388 WeakPolarHBondContact O-CB 3.39Å; P373-N388 PolarHBondContact O-ND2 3Å; E374-N388 WeakPolarHBondContact O-CB 3.37Å; M375-N388 PolarHBondContact N-ND2 3.37Å; S376-N388 VanDerWaalsContact CA-O 3.27Å; S376-N388 WeakPolarHBondContact CA-O 3.47Å; S376-N388 PolarHBondContact N-O 3.18Å; A377-N388 PolarHBondContact O-N 3.04Å; A377-N388 VanDerWaalsContact O-N 3.09Å; N388-E391 PolarHBondContact ND2-OE1 3.11Å; N388-L402 HydrophobicContact CB-CD2 3.7Å
389V98.6Very high97Very high53 Ų5360.3 Ų60.332%0.32131%0.308SS..EExtended strand (participates in β ladder)trans-77.8-42.3-172.8-177.50000110.8E401 K403V389-E401 HydrophobicContact CB-CB 4.28Å; V389-E401 HydrophobicContact CB-CG 4.21Å; V389-E401 WeakPolarHBondContact CB-O 3.39Å; V389-E401 PolarHBondContact N-O 3.27Å; V389-K403 HydrophobicContact CG2-CB 4.28Å; V389-K403 HydrophobicContact CG2-CD 3.79Å; V389-K403 HydrophobicContact CG2-CG 3.81Å
390K98.1Very high97.1Very high114 Ų11455.8 Ų55.850%0.49629%0.288SS..EExtended strand (participates in β ladder)trans-159.5139.4-173.4-178.1176.8177.1-178.80110.9R400 E401K390-R400 WeakPolarHBondContact O-CA 3.26Å; K390-E401 HydrophobicContact CB-CB 4.31Å; K390-E401 PolarHBondContact O-N 2.65Å
391E98.4Very high97.1Very high39 Ų3953.8 Ų53.818%0.18228%0.278CS..EExtended strand (participates in β ladder)trans-108.4130.2163.8-54.9-158.7-177.600110.6M375 N388 I398 L399 R400M375-E391 HydrophobicContact CB-CG 4.19Å; M375-E391 HydrophobicContact CG-CG 4.24Å; M375-E391 HydrophobicContact SD-CB 4.23Å; M375-E391 HydrophobicContact SD-CG 4.37Å; N388-E391 PolarHBondContact ND2-OE1 3.11Å; E391-I398 HydrophobicContact CB-CG2 4.34Å; E391-L399 CarbonylContact C-O 3.59Å; E391-L399 WeakPolarHBondContact CA-O 3.36Å; E391-R400 HydrophobicContact CG-CG 3.99Å; E391-R400 WeakPolarHBondContact OE1-CD 3.44Å; E391-R400 IonicContact OE1-CZ 3.23Å; E391-R400 IonicContact OE1-NE 2.8Å; E391-R400 PolarHBondContact OE1-NE 2.99Å; E391-R400 IonicContact OE1-NH2 3.86Å; E391-R400 IonicContact OE2-CZ 2.71Å; E391-R400 IonicContact OE2-NE 2.83Å; E391-R400 PolarHBondContact OE2-NE 2.94Å; E391-R400 IonicContact OE2-NH2 3.19Å; E391-R400 PolarHBondContact OE2-NH2 2.95Å
392T98.1Very high97.2Very high65 Ų6553 Ų5340%0.39928%0.275SS..EExtended strand (participates in β ladder)trans-114124.4170.8-56.90000108L399T392-L399 PolarHBondContact N-O 3.18Å; T392-L399 PolarHBondContact O-N 3.13Å
393K96.9Very high97.5Very high167 Ų16753.4 Ų53.473%0.72626%0.262SS*.EExtended strand (participates in β ladder)trans-99.3115.4179.2-61.9177.1-176.5173.50109.2I398K393-I398 HydrophobicContact CG-CG1 4.33Å; K393-I398 HydrophobicContact CG-CG2 4.28Å
394A95Very high97.7Very high48 Ų4851.2 Ų51.240%0.39724%0.243SC..  trans-89.5-173.9164.600000109.6F397A394-F397 WeakPolarHBondContact CA-O 3.42Å; A394-F397 HydrophobicContact CB-CD1 3.7Å; A394-F397 HydrophobicContact CB-CD2 4.36Å; A394-F397 HydrophobicContact CB-CE1 3.56Å; A394-F397 HydrophobicContact CB-CE2 4.24Å; A394-F397 HydrophobicContact CB-CG 4.12Å; A394-F397 HydrophobicContact CB-CZ 3.85Å; A394-F397 WeakPolarHBondContact CB-O 3.35Å; A394-F397 PolarHBondContact N-O 3.43Å
395H93Very high97.8Very high167 Ų16751.5 Ų51.577%0.77325%0.245SC*.SBendtrans-66-58.6174.4178-102.3000111.3
396D94.9Very high97.7Very high35 Ų3550.5 Ų50.519%0.18724%0.244CC..SBendtrans-87.8-19-173.9-69.1-84.3000114.9F421 R422 T423D396-F421 HydrophobicContact CB-CD2 4.28Å; D396-F421 HydrophobicContact CB-CE2 3.66Å; D396-F421 HydrophobicContact CB-CZ 4.14Å; D396-R422 PolarHBondContact O-N 3.17Å; D396-T423 HydrophobicContact CB-CG2 4.32Å; D396-T423 WeakPolarHBondContact CB-OG1 3.27Å; D396-T423 VanDerWaalsContact OD1-CB 3.29Å; D396-T423 WeakPolarHBondContact OD1-CB 3.02Å; D396-T423 WeakPolarHBondContact OD1-CG2 3.39Å; D396-T423 PolarHBondContact OD1-OG1 3.48Å
397F97.6Very high97.5Very high27 Ų2753.1 Ų53.112%0.11826%0.26CS..EExtended strand (participates in β ladder)trans-144.7162.3-171.569.5-84.2000114.3A394 L399 Y419 H420 F421 F439 E442A394-F397 WeakPolarHBondContact CA-O 3.42Å; A394-F397 HydrophobicContact CB-CD1 3.7Å; A394-F397 HydrophobicContact CB-CD2 4.36Å; A394-F397 HydrophobicContact CB-CE1 3.56Å; A394-F397 HydrophobicContact CB-CE2 4.24Å; A394-F397 HydrophobicContact CB-CG 4.12Å; A394-F397 HydrophobicContact CB-CZ 3.85Å; A394-F397 WeakPolarHBondContact CB-O 3.35Å; A394-F397 PolarHBondContact N-O 3.43Å; F397-L399 HydrophobicContact CD2-CB 4.42Å; F397-L399 HydrophobicContact CE2-CB 4.17Å; F397-Y419 HydrophobicContact CD2-CD1 4.1Å; F397-Y419 AromaticContact CE2-CD1 3.86Å; F397-Y419 HydrophobicContact CE2-CD1 3.86Å; F397-Y419 AromaticContact CE2-CE1 3.98Å; F397-Y419 HydrophobicContact CE2-CE1 3.98Å; F397-H420 CarbonylContact C-O 3.59Å; F397-H420 VanDerWaalsContact CA-O 3.29Å; F397-H420 WeakPolarHBondContact CA-O 3.34Å; F397-H420 WeakPolarHBondContact CB-O 3.2Å; F397-F421 HydrophobicContact CB-CD2 4.31Å; F397-F439 HydrophobicContact CB-CD2 3.65Å; F397-F439 HydrophobicContact CB-CE2 3.58Å; F397-F439 HydrophobicContact CD1-CB 4.4Å; F397-F439 AromaticContact CD1-CD2 3.56Å; F397-F439 HydrophobicContact CD1-CD2 3.56Å; F397-F439 HydrophobicContact CD1-CE2 4.31Å; F397-F439 HydrophobicContact CD1-CG 4.43Å; F397-F439 AromaticContact CD2-CD2 3.92Å; F397-F439 HydrophobicContact CD2-CD2 3.92Å; F397-F439 AromaticContact CD2-CE2 3.97Å; F397-F439 HydrophobicContact CD2-CE2 3.97Å; F397-F439 HydrophobicContact CE1-CD2 4.09Å; F397-F439 HydrophobicContact CE2-CD2 4.41Å; F397-F439 AromaticContact CG-CD2 3.45Å; F397-F439 HydrophobicContact CG-CD2 3.45Å; F397-F439 VanDerWaalsContact CG-CD2 3.45Å; F397-F439 AromaticContact CG-CE2 3.73Å; F397-F439 HydrophobicContact CG-CE2 3.73Å; F397-F439 HydrophobicContact CZ-CD2 4.48Å; F397-E442 HydrophobicContact CZ-CG 4.39Å
398I98.4Very high97.2Very high26 Ų2650.9 Ų50.913%0.13327%0.273CS..EExtended strand (participates in β ladder)trans-114.7121169-51174.2000107.9E391 K393 H420 R422E391-I398 HydrophobicContact CB-CG2 4.34Å; K393-I398 HydrophobicContact CG-CG1 4.33Å; K393-I398 HydrophobicContact CG-CG2 4.28Å; I398-H420 PolarHBondContact N-O 3.08Å; I398-H420 WeakPolarHBondContact O-CB 3.24Å; I398-H420 PolarHBondContact O-N 2.73Å; I398-R422 HydrophobicContact CD1-CG 4.33Å; I398-R422 HydrophobicContact CG1-CG 4.23Å
399L98.7Very high96.8Very high21 Ų2155.4 Ų55.411%0.1129%0.293CS..EExtended strand (participates in β ladder)trans-88.9133.1169.7177.358.6000109.4E391 T392 F397 W417 Q418 Y419E391-L399 CarbonylContact C-O 3.59Å; E391-L399 WeakPolarHBondContact CA-O 3.36Å; T392-L399 PolarHBondContact N-O 3.18Å; T392-L399 PolarHBondContact O-N 3.13Å; F397-L399 HydrophobicContact CD2-CB 4.42Å; F397-L399 HydrophobicContact CE2-CB 4.17Å; L399-W417 HydrophobicContact CD1-CB 4.26Å; L399-W417 HydrophobicContact CD1-CE3 4.14Å; L399-W417 HydrophobicContact CD2-CE3 4.3Å; L399-W417 HydrophobicContact CG-CE3 4.41Å; L399-Q418 CarbonylContact C-O 3.58Å; L399-Q418 WeakPolarHBondContact CA-O 3.32Å; L399-Y419 HydrophobicContact CD1-CD1 4.11Å; L399-Y419 HydrophobicContact CD1-CD2 3.68Å; L399-Y419 HydrophobicContact CD1-CE1 3.89Å; L399-Y419 HydrophobicContact CD1-CE2 3.45Å; L399-Y419 VanDerWaalsContact CD1-CE2 3.45Å; L399-Y419 HydrophobicContact CD1-CG 4Å; L399-Y419 HydrophobicContact CD2-CE1 4.5Å
400R98.8Very high95.9Very high12 Ų1255.5 Ų55.55%0.04531%0.306CS..EExtended strand (participates in β ladder)trans-118.8129.2168.5-48-169.4165.762.519.2110.8W372 K390 E391 L402 Q418 H420W372-R400 VanDerWaalsContact CD1-CD 3.46Å; K390-R400 WeakPolarHBondContact O-CA 3.26Å; E391-R400 HydrophobicContact CG-CG 3.99Å; E391-R400 WeakPolarHBondContact OE1-CD 3.44Å; E391-R400 IonicContact OE1-CZ 3.23Å; E391-R400 IonicContact OE1-NE 2.8Å; E391-R400 PolarHBondContact OE1-NE 2.99Å; E391-R400 IonicContact OE1-NH2 3.86Å; E391-R400 IonicContact OE2-CZ 2.71Å; E391-R400 IonicContact OE2-NE 2.83Å; E391-R400 PolarHBondContact OE2-NE 2.94Å; E391-R400 IonicContact OE2-NH2 3.19Å; E391-R400 PolarHBondContact OE2-NH2 2.95Å; R400-L402 HydrophobicContact CB-CD2 3.75Å; R400-L402 HydrophobicContact CB-CG 4.08Å; R400-Q418 HydrophobicContact CB-CB 4.19Å; R400-Q418 VanDerWaalsContact CD-OE1 3.24Å; R400-Q418 PolarHBondContact N-O 3.08Å; R400-Q418 PolarHBondContact O-N 3.06Å; R400-H420 PolarHBondContact NH1-ND1 3.45Å
401E98.8Very high95.6Very high50 Ų5056.7 Ų56.723%0.23432%0.317CS..EExtended strand (participates in β ladder)trans-85107.3165.8-172.2-175.4149.800107.8V389 K390 T415 W417V389-E401 HydrophobicContact CB-CB 4.28Å; V389-E401 HydrophobicContact CB-CG 4.21Å; V389-E401 WeakPolarHBondContact CB-O 3.39Å; V389-E401 PolarHBondContact N-O 3.27Å; K390-E401 HydrophobicContact CB-CB 4.31Å; K390-E401 PolarHBondContact O-N 2.65Å; E401-T415 HydrophobicContact CG-CG2 3.68Å; E401-W417 HydrophobicContact CB-CE3 4.19Å; E401-W417 HydrophobicContact CB-CH2 4.36Å; E401-W417 HydrophobicContact CB-CZ3 3.82Å; E401-W417 HydrophobicContact CG-CE3 4.28Å; E401-W417 HydrophobicContact CG-CH2 3.83Å; E401-W417 HydrophobicContact CG-CZ2 4.37Å; E401-W417 HydrophobicContact CG-CZ3 3.79Å
402L98.8Very high95.4Very high0 Ų056.4 Ų56.40%032%0.318CS..EExtended strand (participates in β ladder)trans-107.5139.6179.1-50.9179.8000109.4W343 W372 V386 R387 N388 R400 T415 V416 Q418W343-L402 HydrophobicContact CH2-CD1 3.75Å; W343-L402 HydrophobicContact CZ2-CD1 4.29Å; W372-L402 HydrophobicContact CB-CD1 4.27Å; V386-L402 HydrophobicContact CG1-CB 4.33Å; R387-L402 CarbonylContact O-C 3.54Å; R387-L402 VanDerWaalsContact O-CA 3.25Å; R387-L402 WeakPolarHBondContact O-CA 3.45Å; N388-L402 HydrophobicContact CB-CD2 3.7Å; R400-L402 HydrophobicContact CB-CD2 3.75Å; R400-L402 HydrophobicContact CB-CG 4.08Å; L402-T415 CarbonylContact O-C 3.53Å; L402-T415 WeakPolarHBondContact O-CA 3.34Å; L402-V416 WeakPolarHBondContact CA-O 3.35Å; L402-V416 WeakPolarHBondContact CB-O 3.4Å; L402-V416 PolarHBondContact N-O 2.73Å; L402-V416 PolarHBondContact O-N 3.28Å; L402-Q418 HydrophobicContact CD1-CB 3.95Å; L402-Q418 HydrophobicContact CG-CB 4.5Å
403K98.6Very high95.4Very high62 Ų6257 Ų5727%0.2732%0.316SS..EExtended strand (participates in β ladder)trans-103.8120.8167.4-80.9176.3160.4-135.10108.9V386 R387 V389 E413V386-K403 CarbonylContact C-O 3.5Å; V386-K403 VanDerWaalsContact CA-O 3.29Å; V386-K403 WeakPolarHBondContact CA-O 3.32Å; R387-K403 HydrophobicContact CB-CB 4.29Å; R387-K403 PolarHBondContact N-O 3.26Å; R387-K403 PolarHBondContact O-N 2.84Å; V389-K403 HydrophobicContact CG2-CB 4.28Å; V389-K403 HydrophobicContact CG2-CD 3.79Å; V389-K403 HydrophobicContact CG2-CG 3.81Å; K403-E413 HydrophobicContact CB-CG 4.11Å; K403-E413 HydrophobicContact CD-CG 4.45Å; K403-E413 WeakPolarHBondContact CD-OE2 3.47Å; K403-E413 WeakPolarHBondContact CE-OE2 3.45Å; K403-E413 HydrophobicContact CG-CG 4.39Å; K403-E413 IonicContact NZ-OE2 3.56Å; K403-E413 PolarHBondContact NZ-OE2 3.13Å
404L98.6Very high95.5Very high0 Ų050.7 Ų50.70%029%0.288CS..EExtended strand (participates in β ladder)trans-108.5134.6178.5173.264.2000108.8W343 V346 F347 M384 V386 E413 R414 V416W343-L404 HydrophobicContact CD2-CD1 4.43Å; W343-L404 HydrophobicContact CE3-CD1 3.83Å; W343-L404 HydrophobicContact CE3-CD2 3.98Å; W343-L404 HydrophobicContact CE3-CG 4.45Å; W343-L404 HydrophobicContact CZ3-CD1 4.41Å; W343-L404 HydrophobicContact CZ3-CD2 4.22Å; V346-L404 HydrophobicContact CB-CD2 4.5Å; V346-L404 HydrophobicContact CG1-CD2 3.77Å; F347-L404 HydrophobicContact CB-CD2 4.09Å; F347-L404 HydrophobicContact CD2-CD2 4.13Å; F347-L404 HydrophobicContact CD2-CG 4.13Å; M384-L404 HydrophobicContact CB-CD1 4.16Å; M384-L404 HydrophobicContact SD-CD1 4.17Å; V386-L404 HydrophobicContact CG2-CD1 3.82Å; L404-E413 CarbonylContact O-C 3.58Å; L404-E413 WeakPolarHBondContact O-CA 3.4Å; L404-R414 PolarHBondContact N-O 3.37Å; L404-R414 PolarHBondContact O-N 3.38Å; L404-V416 HydrophobicContact CB-CG2 3.94Å; L404-V416 HydrophobicContact CD2-CG2 4.07Å
405S97.7Very high95.6Very high7 Ų750.3 Ų50.35%0.04928%0.281CS..EExtended strand (participates in β ladder)trans-150.1156.4178.853.30000109.5R385R385-S405 PolarHBondContact N-O 3.32Å; R385-S405 PolarHBondContact O-N 3.08Å; R385-S405 PolarHBondContact O-OG 2.71Å
406E96.1Very high95.9Very high52 Ų5242.4 Ų42.424%0.24324%0.244CC..EExtended strand (participates in β ladder)trans-79.3143.4167.5-174.9177.9-149.900110.9F347 M384 G408 Q409 T412F347-E406 HydrophobicContact CZ-CB 4.15Å; M384-E406 HydrophobicContact CE-CB 4.07Å; M384-E406 HydrophobicContact CE-CG 3.99Å; E406-G408 PolarHBondContact O-N 2.68Å; E406-Q409 HydrophobicContact CB-CB 4.27Å; E406-Q409 PolarHBondContact O-N 2.93Å; E406-Q409 VanDerWaalsContact OE2-CD 3.24Å; E406-Q409 PolarHBondContact OE2-NE2 3.47Å; E406-T412 HydrophobicContact CB-CG2 4.45Å; E406-T412 PolarHBondContact N-OG1 3.04Å
407V94.9Very high96.1Very high56 Ų5643 Ų4334%0.33924%0.244SC..THydrogen-bonded Turntrans-64119.8179.3172.90000109.7E380 A383 R385 Q409E380-V407 HydrophobicContact CB-CG2 4.48Å; E380-V407 HydrophobicContact CG-CG2 4.12Å; A383-V407 WeakPolarHBondContact O-CG2 3.42Å; A383-V407 PolarHBondContact O-N 2.97Å; R385-V407 HydrophobicContact CB-CG2 3.92Å; V407-Q409 VanDerWaalsContact C-N 3.35Å; V407-Q409 PolarHBondContact O-N 3.48Å
408G91.9Very high96.2Very high68 Ų6841.7 Ų41.770%0.70124%0.238SC*.THydrogen-bonded Turntrans92.8-29.3-177.400000114.3E406 G410E406-G408 PolarHBondContact O-N 2.68Å; G408-G410 PolarHBondContact O-N 3.05Å
409Q90.4Very high96.2Very high94 Ų9440.5 Ų40.544%0.43923%0.232SC..EExtended strand (participates in β ladder)trans-99.173.7-178.6-54.2-151.856.900112E406 V407 N411 T412E406-Q409 HydrophobicContact CB-CB 4.27Å; E406-Q409 PolarHBondContact O-N 2.93Å; E406-Q409 VanDerWaalsContact OE2-CD 3.24Å; E406-Q409 PolarHBondContact OE2-NE2 3.47Å; V407-Q409 VanDerWaalsContact C-N 3.35Å; V407-Q409 PolarHBondContact O-N 3.48Å; Q409-N411 PolarHBondContact O-N 2.54Å; Q409-N411 VanDerWaalsContact O-N 3.09Å; Q409-N411 PolarHBondContact O-OD1 3.34Å; Q409-T412 HydrophobicContact CB-CG2 3.71Å; Q409-T412 WeakPolarHBondContact O-CB 3.45Å; Q409-T412 PolarHBondContact O-N 2.69Å; Q409-T412 PolarHBondContact O-OG1 2.95Å
410G81.2Confident96.2Very high56 Ų5639.5 Ų39.558%0.57723%0.227SC*.EExtended strand (participates in β ladder)trans-60.9-19.5-175.800000115.6G408 T412 E413G408-G410 PolarHBondContact O-N 3.05Å; G410-T412 PolarHBondContact O-N 3.48Å; G410-E413 PolarHBondContact O-N 3.08Å
411N91.5Very high96.2Very high139 Ų13939.2 Ų39.274%0.74323%0.226SC*.EExtended strand (participates in β ladder)trans-71-10.3172.260.1-43.3000114Q409Q409-N411 PolarHBondContact O-N 2.54Å; Q409-N411 VanDerWaalsContact O-N 3.09Å; Q409-N411 PolarHBondContact O-OD1 3.34Å
412T94.7Very high96Very high33 Ų3340.9 Ų40.920%0.20223%0.23CC..EExtended strand (participates in β ladder)trans-87.9-0.2176.266.10000113.6F347 E406 Q409 G410 R414F347-T412 HydrophobicContact CZ-CG2 4.14Å; E406-T412 HydrophobicContact CB-CG2 4.45Å; E406-T412 PolarHBondContact N-OG1 3.04Å; Q409-T412 HydrophobicContact CB-CG2 3.71Å; Q409-T412 WeakPolarHBondContact O-CB 3.45Å; Q409-T412 PolarHBondContact O-N 2.69Å; Q409-T412 PolarHBondContact O-OG1 2.95Å; G410-T412 PolarHBondContact O-N 3.48Å; T412-R414 PolarHBondContact O-N 2.64Å
413E97.3Very high95.8Very high76 Ų7643.7 Ų43.736%0.35525%0.247SC..EExtended strand (participates in β ladder)trans-64.5127.5-175.1-165.6-172-114.200112.3K403 L404 G410K403-E413 HydrophobicContact CB-CG 4.11Å; K403-E413 HydrophobicContact CD-CG 4.45Å; K403-E413 WeakPolarHBondContact CD-OE2 3.47Å; K403-E413 WeakPolarHBondContact CE-OE2 3.45Å; K403-E413 HydrophobicContact CG-CG 4.39Å; K403-E413 IonicContact NZ-OE2 3.56Å; K403-E413 PolarHBondContact NZ-OE2 3.13Å; L404-E413 CarbonylContact O-C 3.58Å; L404-E413 WeakPolarHBondContact O-CA 3.4Å; G410-E413 PolarHBondContact O-N 3.08Å
414R97.8Very high95.6Very high36 Ų3641 Ų4114%0.13624%0.235CC..EExtended strand (participates in β ladder)trans-142.8153.5174.771.9-172-153.3-134.32.5112.1V346 F347 N350 S351 L404 T412V346-R414 PolarHBondContact O-NH2 3.38Å; F347-R414 PolarHBondContact O-NH1 3.28Å; F347-R414 PolarHBondContact O-NH2 2.85Å; N350-R414 VanDerWaalsContact CA-NH2 3.33Å; S351-R414 PolarHBondContact O-NH2 2.58Å; L404-R414 PolarHBondContact N-O 3.37Å; L404-R414 PolarHBondContact O-N 3.38Å; T412-R414 PolarHBondContact O-N 2.64Å
415T98.6Very high95.2Very high40 Ų4043 Ų4325%0.24525%0.248CC..EExtended strand (participates in β ladder)trans-79.9135.7175.7-50.80000111.3E401 L402 W417E401-T415 HydrophobicContact CG-CG2 3.68Å; L402-T415 CarbonylContact O-C 3.53Å; L402-T415 WeakPolarHBondContact O-CA 3.34Å; T415-W417 HydrophobicContact CG2-CD2 4.19Å; T415-W417 HydrophobicContact CG2-CZ2 3.81Å
416V98.9Very high94.1Very high0 Ų044.7 Ų44.70%026%0.257CS..EExtended strand (participates in β ladder)trans-126125.3172.9-178.70000108V346 R352 I354 L402 L404V346-V416 HydrophobicContact CG1-CG1 4.28Å; V346-V416 HydrophobicContact CG1-CG2 4.37Å; R352-V416 CarbonylContact O-C 3.52Å; R352-V416 WeakPolarHBondContact O-CA 3.34Å; I354-V416 HydrophobicContact CD1-CG1 3.59Å; I354-V416 HydrophobicContact CG1-CG1 3.78Å; L402-V416 WeakPolarHBondContact CA-O 3.35Å; L402-V416 WeakPolarHBondContact CB-O 3.4Å; L402-V416 PolarHBondContact N-O 2.73Å; L402-V416 PolarHBondContact O-N 3.28Å; L404-V416 HydrophobicContact CB-CG2 3.94Å; L404-V416 HydrophobicContact CD2-CG2 4.07Å
417W98.9Very high93.3Very high48 Ų4846.6 Ų46.618%0.18227%0.266CS..EExtended strand (participates in β ladder)trans-98.2112-175-58.688.4000110R352 V353 I354 L399 E401 T415 Y419 K446R352-W417 PolarHBondContact O-N 3.21Å; V353-W417 WeakPolarHBondContact CA-O 3.48Å; I354-W417 PolarHBondContact N-O 2.96Å; L399-W417 HydrophobicContact CD1-CB 4.26Å; L399-W417 HydrophobicContact CD1-CE3 4.14Å; L399-W417 HydrophobicContact CD2-CE3 4.3Å; L399-W417 HydrophobicContact CG-CE3 4.41Å; E401-W417 HydrophobicContact CB-CE3 4.19Å; E401-W417 HydrophobicContact CB-CH2 4.36Å; E401-W417 HydrophobicContact CB-CZ3 3.82Å; E401-W417 HydrophobicContact CG-CE3 4.28Å; E401-W417 HydrophobicContact CG-CH2 3.83Å; E401-W417 HydrophobicContact CG-CZ2 4.37Å; E401-W417 HydrophobicContact CG-CZ3 3.79Å; T415-W417 HydrophobicContact CG2-CD2 4.19Å; T415-W417 HydrophobicContact CG2-CZ2 3.81Å; W417-Y419 HydrophobicContact CB-CD2 4.24Å; W417-Y419 HydrophobicContact CB-CE2 3.8Å; W417-K446 HydrophobicContact CB-CG 4.11Å; W417-K446 HydrophobicContact CD2-CD 3.89Å; W417-K446 HydrophobicContact CD2-CG 4.36Å; W417-K446 HydrophobicContact CG-CD 3.85Å; W417-K446 HydrophobicContact CG-CG 3.84Å
418Q98.9Very high93Very high0 Ų045 Ų450%026%0.261CS..EExtended strand (participates in β ladder)trans-93.5112.3177-170.2-1495300110.5I354 Y371 L399 R400 L402I354-Q418 HydrophobicContact CB-CG 4.37Å; I354-Q418 HydrophobicContact CG2-CG 4.4Å; I354-Q418 CarbonylContact O-C 3.52Å; I354-Q418 WeakPolarHBondContact O-CA 3.41Å; Y371-Q418 PolarHBondContact OH-NE2 3.39Å; L399-Q418 CarbonylContact C-O 3.58Å; L399-Q418 WeakPolarHBondContact CA-O 3.32Å; R400-Q418 HydrophobicContact CB-CB 4.19Å; R400-Q418 VanDerWaalsContact CD-OE1 3.24Å; R400-Q418 PolarHBondContact N-O 3.08Å; R400-Q418 PolarHBondContact O-N 3.06Å; L402-Q418 HydrophobicContact CD1-CB 3.95Å; L402-Q418 HydrophobicContact CG-CB 4.5Å
419Y98.9Very high93.1Very high0 Ų043.5 Ų43.50%024%0.238CC..EExtended strand (participates in β ladder)trans-95.9101.9174-78-98.1000109.4V353 I354 V355 M356 F397 L399 W417 F439 E442 V443 K446V353-Y419 HydrophobicContact CG1-CD2 3.8Å; V353-Y419 HydrophobicContact CG1-CE2 4.12Å; I354-Y419 PolarHBondContact O-N 3.39Å; V355-Y419 WeakPolarHBondContact CA-O 3.33Å; M356-Y419 PolarHBondContact N-O 3.09Å; F397-Y419 HydrophobicContact CD2-CD1 4.1Å; F397-Y419 AromaticContact CE2-CD1 3.86Å; F397-Y419 HydrophobicContact CE2-CD1 3.86Å; F397-Y419 AromaticContact CE2-CE1 3.98Å; F397-Y419 HydrophobicContact CE2-CE1 3.98Å; L399-Y419 HydrophobicContact CD1-CD1 4.11Å; L399-Y419 HydrophobicContact CD1-CD2 3.68Å; L399-Y419 HydrophobicContact CD1-CE1 3.89Å; L399-Y419 HydrophobicContact CD1-CE2 3.45Å; L399-Y419 VanDerWaalsContact CD1-CE2 3.45Å; L399-Y419 HydrophobicContact CD1-CG 4Å; L399-Y419 HydrophobicContact CD2-CE1 4.5Å; W417-Y419 HydrophobicContact CB-CD2 4.24Å; W417-Y419 HydrophobicContact CB-CE2 3.8Å; Y419-F439 HydrophobicContact CD1-CD2 4.31Å; Y419-F439 AromaticContact CD1-CE2 3.95Å; Y419-F439 HydrophobicContact CD1-CE2 3.95Å; Y419-F439 HydrophobicContact CG-CE2 4.29Å; Y419-E442 HydrophobicContact CE1-CB 4.05Å; Y419-E442 PolarHBondContact OH-O 3.15Å; Y419-V443 HydrophobicContact CD1-CG2 3.64Å; Y419-V443 HydrophobicContact CD2-CG2 4.01Å; Y419-V443 HydrophobicContact CE1-CG2 4.13Å; Y419-V443 HydrophobicContact CE2-CG2 4.45Å; Y419-V443 HydrophobicContact CG-CG2 3.58Å; Y419-K446 HydrophobicContact CE2-CB 4.12Å; Y419-K446 HydrophobicContact CE2-CG 4Å; Y419-K446 WeakPolarHBondContact OH-CB 3.37Å
420H98.7Very high93.3Very high0 Ų040 Ų400%022%0.223CC..EExtended strand (participates in β ladder)trans-106.696.8-175.4-173.7156.9000110.3M356 T358 E360 W372 F397 I398 R400 R422M356-H420 HydrophobicContact CB-CB 4.34Å; M356-H420 VanDerWaalsContact SD-CE1 3.6Å; T358-H420 PolarHBondContact O-NE2 2.77Å; E360-H420 IonicContact OE1-CE1 3.62Å; W372-H420 AromaticContact CH2-CE1 3.59Å; W372-H420 AromaticContact CH2-ND1 3.66Å; W372-H420 AromaticContact CZ2-CE1 3.89Å; W372-H420 AromaticContact CZ2-ND1 3.79Å; F397-H420 CarbonylContact C-O 3.59Å; F397-H420 VanDerWaalsContact CA-O 3.29Å; F397-H420 WeakPolarHBondContact CA-O 3.34Å; F397-H420 WeakPolarHBondContact CB-O 3.2Å; I398-H420 PolarHBondContact N-O 3.08Å; I398-H420 WeakPolarHBondContact O-CB 3.24Å; I398-H420 PolarHBondContact O-N 2.73Å; R400-H420 PolarHBondContact NH1-ND1 3.45Å; H420-R422 WeakPolarHBondContact CD2-CD 3.33Å; H420-R422 PolarHBondContact CE1-NH1 2.94Å; H420-R422 WeakPolarHBondContact NE2-CD 3.44Å; H420-R422 PolarHBondContact NE2-NH1 3.49Å
421F98.2Very high93.7Very high6 Ų642.3 Ų42.33%0.02624%0.237CC..EExtended strand (participates in β ladder)trans-72.3132177.8-162-100.2000111M356 D396 F397 T423 W424 G435 V436 F439M356-F421 PolarHBondContact O-N 3.36Å; D396-F421 HydrophobicContact CB-CD2 4.28Å; D396-F421 HydrophobicContact CB-CE2 3.66Å; D396-F421 HydrophobicContact CB-CZ 4.14Å; F397-F421 HydrophobicContact CB-CD2 4.31Å; F421-T423 WeakPolarHBondContact CE1-OG1 3.39Å; F421-T423 VanDerWaalsContact CZ-OG1 3.29Å; F421-T423 WeakPolarHBondContact CZ-OG1 3.34Å; F421-W424 HydrophobicContact CD1-CB 3.92Å; F421-W424 HydrophobicContact CD1-CE3 4.38Å; F421-W424 HydrophobicContact CE1-CB 3.95Å; F421-W424 HydrophobicContact CE1-CE3 4.26Å; F421-G435 WeakPolarHBondContact CE2-O 3.35Å; F421-V436 HydrophobicContact CE1-CG2 4.15Å; F421-V436 HydrophobicContact CE2-CG2 4.31Å; F421-V436 HydrophobicContact CZ-CG2 3.65Å; F421-F439 HydrophobicContact CB-CE1 3.95Å; F421-F439 HydrophobicContact CB-CE2 4.15Å; F421-F439 HydrophobicContact CB-CZ 3.74Å; F421-F439 HydrophobicContact CD2-CB 4.05Å; F421-F439 AromaticContact CD2-CD1 3.62Å; F421-F439 HydrophobicContact CD2-CD1 3.62Å; F421-F439 AromaticContact CD2-CD2 3.84Å; F421-F439 HydrophobicContact CD2-CD2 3.84Å; F421-F439 AromaticContact CD2-CE1 3.94Å; F421-F439 HydrophobicContact CD2-CE1 3.94Å; F421-F439 HydrophobicContact CD2-CE2 4.08Å; F421-F439 AromaticContact CD2-CG 3.57Å; F421-F439 HydrophobicContact CD2-CG 3.57Å; F421-F439 HydrophobicContact CD2-CZ 4.14Å; F421-F439 HydrophobicContact CE2-CB 4.01Å; F421-F439 HydrophobicContact CE2-CD1 4.2Å; F421-F439 HydrophobicContact CE2-CG 4.04Å; F421-F439 HydrophobicContact CG-CD1 4.34Å; F421-F439 HydrophobicContact CG-CE1 4.25Å; F421-F439 HydrophobicContact CG-CZ 4.39Å
422R95.8Very high93.7Very high86 Ų8640.2 Ų40.233%0.32523%0.226SC..  trans-117.7-19.3-169.3-63.5-62.3-69.4-158.9-7.2114.4K359 E360 D396 I398 H420K359-R422 WeakPolarHBondContact CE-O 3.47Å; E360-R422 IonicContact OE1-NH1 2.86Å; E360-R422 PolarHBondContact OE1-NH1 3.36Å; E360-R422 VanDerWaalsContact OE1-NH1 3.1Å; D396-R422 PolarHBondContact O-N 3.17Å; I398-R422 HydrophobicContact CD1-CG 4.33Å; I398-R422 HydrophobicContact CG1-CG 4.23Å; H420-R422 WeakPolarHBondContact CD2-CD 3.33Å; H420-R422 PolarHBondContact CE1-NH1 2.94Å; H420-R422 WeakPolarHBondContact NE2-CD 3.44Å; H420-R422 PolarHBondContact NE2-NH1 3.49Å
423T94.9Very high93.7Very high58 Ų5839 Ų3936%0.35622%0.218SC..  trans-94.5-3.4-172.547.50000114.7D396 F421D396-T423 HydrophobicContact CB-CG2 4.32Å; D396-T423 WeakPolarHBondContact CB-OG1 3.27Å; D396-T423 VanDerWaalsContact OD1-CB 3.29Å; D396-T423 WeakPolarHBondContact OD1-CB 3.02Å; D396-T423 WeakPolarHBondContact OD1-CG2 3.39Å; D396-T423 PolarHBondContact OD1-OG1 3.48Å; F421-T423 WeakPolarHBondContact CE1-OG1 3.39Å; F421-T423 VanDerWaalsContact CZ-OG1 3.29Å; F421-T423 WeakPolarHBondContact CZ-OG1 3.34Å
424W94.3Very high93.6Very high5 Ų535.8 Ų35.82%0.01921%0.205CC..SBendtrans-60128.3171.4-156.7-61.1000109.9F421 G428 V429 P430 V436 R466 T469 F514F421-W424 HydrophobicContact CD1-CB 3.92Å; F421-W424 HydrophobicContact CD1-CE3 4.38Å; F421-W424 HydrophobicContact CE1-CB 3.95Å; F421-W424 HydrophobicContact CE1-CE3 4.26Å; W424-G428 PolarHBondContact NE1-O 2.69Å; W424-V429 HydrophobicContact CZ2-CG1 4.32Å; W424-P430 HydrophobicContact CD2-CG 4.2Å; W424-P430 HydrophobicContact CE3-CG 4.36Å; W424-P430 HydrophobicContact CG-CG 4.45Å; W424-V436 HydrophobicContact CZ3-CG2 4.41Å; W424-R466 HydrophobicContact CD2-CG 4.12Å; W424-R466 HydrophobicContact CG-CG 4.45Å; W424-R466 HydrophobicContact CH2-CB 4.43Å; W424-R466 HydrophobicContact CZ2-CB 4.23Å; W424-R466 HydrophobicContact CZ2-CG 3.97Å; W424-T469 HydrophobicContact CH2-CG2 3.89Å; W424-T469 HydrophobicContact CZ2-CG2 4.4Å; W424-F514 HydrophobicContact CH2-CE1 4.32Å
425P90.6Very high93.5Very high43 Ų4335 Ų3528%0.27921%0.208SC..  trans-70148.2-177.625.9-33.7000112.7H427 V429 R466P425-H427 WeakPolarHBondContact CG-O 3.47Å; P425-H427 PolarHBondContact O-N 3.44Å; P425-V429 VanDerWaalsContact CG-C 3.46Å; P425-V429 VanDerWaalsContact CG-O 3.28Å; P425-V429 WeakPolarHBondContact CG-O 3.32Å; P425-R466 PolarHBondContact O-NH2 3.06Å; P425-R466 VanDerWaalsContact O-NH2 3.09Å
426D73.9Confident93.4Very high42 Ų4233.2 Ų33.223%0.22520%0.197CC..SBendtrans-58.1-22.4-177.8-69.528.4000113K359 E362 R363K359-D426 IonicContact NZ-OD1 2.86Å; K359-D426 PolarHBondContact NZ-OD1 2.82Å; E362-D426 HydrophobicContact CB-CB 4.5Å; R363-D426 HydrophobicContact CG-CB 3.8Å; R363-D426 WeakPolarHBondContact CG-OD2 3.47Å; R363-D426 PolarHBondContact N-OD2 3.32Å
427H79Confident93.3Very high92 Ų9233.7 Ų33.743%0.42620%0.2SC..SBendtrans-130.3143.9170.1-65.8-42.6000110.7T59 R363 P425T59-H427 WeakPolarHBondContact CB-ND1 3.3Å; R363-H427 PolarHBondContact NH1-NE2 2.99Å; R363-H427 VanDerWaalsContact NH1-NE2 3.19Å; P425-H427 WeakPolarHBondContact CG-O 3.47Å; P425-H427 PolarHBondContact O-N 3.44Å
428G88.8Confident93.2Very high23 Ų2336.7 Ų36.724%0.23722%0.22CC..SBendtrans76-134.2172.800000114.4T59 W424T59-G428 PolarHBondContact O-N 3.16Å; W424-G428 PolarHBondContact NE1-O 2.69Å
429V93.6Very high93.1Very high36 Ų3636.8 Ų36.822%0.21822%0.22CC..  trans-137.5156.5-170.6-65.90000111W424 P425 A510 Q511 F514W424-V429 HydrophobicContact CZ2-CG1 4.32Å; P425-V429 VanDerWaalsContact CG-C 3.46Å; P425-V429 VanDerWaalsContact CG-O 3.28Å; P425-V429 WeakPolarHBondContact CG-O 3.32Å; V429-A510 HydrophobicContact CG2-CB 4.42Å; V429-Q511 HydrophobicContact CG1-CB 4.34Å; V429-Q511 HydrophobicContact CG1-CG 3.7Å; V429-F514 HydrophobicContact CB-CB 4.03Å; V429-F514 HydrophobicContact CB-CD2 3.91Å; V429-F514 HydrophobicContact CB-CG 3.95Å; V429-F514 HydrophobicContact CG1-CB 3.83Å; V429-F514 HydrophobicContact CG1-CG 4.11Å; V429-F514 HydrophobicContact CG2-CB 4.18Å; V429-F514 HydrophobicContact CG2-CD2 4.14Å; V429-F514 HydrophobicContact CG2-CG 4.39Å
430P94.1Very high93.1Very high21 Ų2136.9 Ų36.914%0.13622%0.22CC..  trans-53.3145.5167.9-24.235.3000111.7W424 D432 V436 F514W424-P430 HydrophobicContact CD2-CG 4.2Å; W424-P430 HydrophobicContact CE3-CG 4.36Å; W424-P430 HydrophobicContact CG-CG 4.45Å; P430-D432 VanDerWaalsContact C-N 3.28Å; P430-D432 WeakPolarHBondContact CB-O 3.43Å; P430-D432 PolarHBondContact O-N 3.18Å; P430-V436 HydrophobicContact CG-CG2 3.97Å; P430-F514 HydrophobicContact CB-CE2 3.88Å; P430-F514 HydrophobicContact CB-CZ 4.05Å; P430-F514 HydrophobicContact CG-CE2 4.17Å; P430-F514 HydrophobicContact CG-CZ 3.93Å; P430-F514 WeakPolarHBondContact O-CE2 3.15Å
431A89.7Confident92.9Very high105 Ų10539.1 Ų39.187%0.86823%0.231SC*.SBendtrans-72.5-23.5-179.600000113.1
432D91.6Very high92.9Very high95 Ų9543 Ų4351%0.50825%0.249SC..SBendtrans-131.3141178.4178.9-89.7000109.1P430 G434P430-D432 VanDerWaalsContact C-N 3.28Å; P430-D432 WeakPolarHBondContact CB-O 3.43Å; P430-D432 PolarHBondContact O-N 3.18Å; D432-G434 WeakPolarHBondContact OD1-CA 3.45Å; D432-G434 PolarHBondContact OD1-N 3.39Å
433P95.7Very high93Very high7 Ų739 Ų395%0.04523%0.234CC..SBendtrans-83.1-16.5-178.233.3-36000114.6G435 V436 L437 F514 A518 H521P433-G435 PolarHBondContact O-N 2.84Å; P433-V436 WeakPolarHBondContact O-CA 3.21Å; P433-V436 WeakPolarHBondContact O-CB 3.35Å; P433-V436 PolarHBondContact O-N 3Å; P433-L437 HydrophobicContact CB-CD1 4.18Å; P433-L437 HydrophobicContact CG-CD1 4.45Å; P433-L437 WeakPolarHBondContact O-CG 3.36Å; P433-L437 PolarHBondContact O-N 3.2Å; P433-F514 HydrophobicContact CB-CE2 4.14Å; P433-F514 HydrophobicContact CB-CZ 4.16Å; P433-A518 HydrophobicContact CB-CB 3.88Å; P433-H521 HydrophobicContact CG-CB 3.69Å
434G95.2Very high93Very high8 Ų836.2 Ų36.28%0.08222%0.217CC..Hα-helixtrans-54-50.6-17000000113.4D432 V436 L437 D438D432-G434 WeakPolarHBondContact OD1-CA 3.45Å; D432-G434 PolarHBondContact OD1-N 3.39Å; G434-V436 PolarHBondContact O-N 3.49Å; G434-V436 VanDerWaalsContact O-N 3.17Å; G434-L437 WeakPolarHBondContact O-CB 3.19Å; G434-L437 PolarHBondContact O-N 3.28Å; G434-D438 PolarHBondContact O-N 3.49Å
435G94.9Very high93.1Very high19 Ų1940.1 Ų40.120%0.19624%0.238CC..Hα-helixtrans-61.7-24.9177.900000114.5F421 P433 F439F421-G435 WeakPolarHBondContact CE2-O 3.35Å; P433-G435 PolarHBondContact O-N 2.84Å; G435-F439 VanDerWaalsContact O-CB 3.26Å; G435-F439 WeakPolarHBondContact O-CB 3.37Å; G435-F439 PolarHBondContact O-N 2.97Å
436V96.7Very high93.5Very high3 Ų340.5 Ų40.52%0.01824%0.235CC..Hα-helixtrans-81.3-35.4172.61780000111.3F421 W424 P430 P433 G434 L440 F514F421-V436 HydrophobicContact CE1-CG2 4.15Å; F421-V436 HydrophobicContact CE2-CG2 4.31Å; F421-V436 HydrophobicContact CZ-CG2 3.65Å; W424-V436 HydrophobicContact CZ3-CG2 4.41Å; P430-V436 HydrophobicContact CG-CG2 3.97Å; P433-V436 WeakPolarHBondContact O-CA 3.21Å; P433-V436 WeakPolarHBondContact O-CB 3.35Å; P433-V436 PolarHBondContact O-N 3Å; G434-V436 PolarHBondContact O-N 3.49Å; G434-V436 VanDerWaalsContact O-N 3.17Å; V436-L440 WeakPolarHBondContact O-CB 3.19Å; V436-L440 PolarHBondContact O-N 3.01Å; V436-F514 HydrophobicContact CB-CE1 4.43Å; V436-F514 HydrophobicContact CB-CZ 4.23Å; V436-F514 HydrophobicContact CG1-CE1 4.39Å; V436-F514 HydrophobicContact CG2-CE1 4.22Å; V436-F514 HydrophobicContact CG2-CZ 3.86Å
437L97.4Very high94.6Very high11 Ų1139.4 Ų39.46%0.05823%0.229CC..Hα-helixtrans-69.1-45.9177.7-67.8169.7000112.1P433 G434 F439 L440 E441 I473 I477 A518 H521 Y522P433-L437 HydrophobicContact CB-CD1 4.18Å; P433-L437 HydrophobicContact CG-CD1 4.45Å; P433-L437 WeakPolarHBondContact O-CG 3.36Å; P433-L437 PolarHBondContact O-N 3.2Å; G434-L437 WeakPolarHBondContact O-CB 3.19Å; G434-L437 PolarHBondContact O-N 3.28Å; L437-F439 VanDerWaalsContact C-N 3.31Å; L437-F439 PolarHBondContact O-N 3.31Å; L437-L440 PolarHBondContact O-N 3.32Å; L437-L440 VanDerWaalsContact O-N 3.15Å; L437-E441 PolarHBondContact O-N 3.34Å; L437-I473 HydrophobicContact CD2-CG2 4.29Å; L437-I477 HydrophobicContact CD2-CD1 3.42Å; L437-I477 VanDerWaalsContact CD2-CD1 3.42Å; L437-A518 HydrophobicContact CD2-CB 4.17Å; L437-H521 HydrophobicContact CD1-CB 3.97Å; L437-H521 VanDerWaalsContact CD1-ND1 3.28Å; L437-H521 WeakPolarHBondContact CD1-ND1 3.35Å; L437-Y522 HydrophobicContact CD2-CD2 4.37Å
438D96.1Very high95.3Very high110 Ų11040.1 Ų40.159%0.58823%0.232SC*.Hα-helixtrans-62.6-40.2176.9-68.4-22.5000111.2G434 L440 E442G434-D438 PolarHBondContact O-N 3.49Å; D438-L440 VanDerWaalsContact C-N 3.34Å; D438-L440 PolarHBondContact O-N 2.94Å; D438-E442 PolarHBondContact O-N 2.91Å; D438-E442 VanDerWaalsContact O-N 3.11Å
439F97.6Very high95.7Very high3 Ų342.8 Ų42.81%0.01325%0.248CC..Hα-helixtrans-63.8-36.6173.8173.2-108.8000113.1V355 F397 Y419 F421 G435 L437 V443 F470V355-F439 HydrophobicContact CG1-CE1 3.81Å; V355-F439 HydrophobicContact CG1-CZ 3.96Å; F397-F439 HydrophobicContact CB-CD2 3.65Å; F397-F439 HydrophobicContact CB-CE2 3.58Å; F397-F439 HydrophobicContact CD1-CB 4.4Å; F397-F439 AromaticContact CD1-CD2 3.56Å; F397-F439 HydrophobicContact CD1-CD2 3.56Å; F397-F439 HydrophobicContact CD1-CE2 4.31Å; F397-F439 HydrophobicContact CD1-CG 4.43Å; F397-F439 AromaticContact CD2-CD2 3.92Å; F397-F439 HydrophobicContact CD2-CD2 3.92Å; F397-F439 AromaticContact CD2-CE2 3.97Å; F397-F439 HydrophobicContact CD2-CE2 3.97Å; F397-F439 HydrophobicContact CE1-CD2 4.09Å; F397-F439 HydrophobicContact CE2-CD2 4.41Å; F397-F439 AromaticContact CG-CD2 3.45Å; F397-F439 HydrophobicContact CG-CD2 3.45Å; F397-F439 VanDerWaalsContact CG-CD2 3.45Å; F397-F439 AromaticContact CG-CE2 3.73Å; F397-F439 HydrophobicContact CG-CE2 3.73Å; F397-F439 HydrophobicContact CZ-CD2 4.48Å; Y419-F439 HydrophobicContact CD1-CD2 4.31Å; Y419-F439 AromaticContact CD1-CE2 3.95Å; Y419-F439 HydrophobicContact CD1-CE2 3.95Å; Y419-F439 HydrophobicContact CG-CE2 4.29Å; F421-F439 HydrophobicContact CB-CE1 3.95Å; F421-F439 HydrophobicContact CB-CE2 4.15Å; F421-F439 HydrophobicContact CB-CZ 3.74Å; F421-F439 HydrophobicContact CD2-CB 4.05Å; F421-F439 AromaticContact CD2-CD1 3.62Å; F421-F439 HydrophobicContact CD2-CD1 3.62Å; F421-F439 AromaticContact CD2-CD2 3.84Å; F421-F439 HydrophobicContact CD2-CD2 3.84Å; F421-F439 AromaticContact CD2-CE1 3.94Å; F421-F439 HydrophobicContact CD2-CE1 3.94Å; F421-F439 HydrophobicContact CD2-CE2 4.08Å; F421-F439 AromaticContact CD2-CG 3.57Å; F421-F439 HydrophobicContact CD2-CG 3.57Å; F421-F439 HydrophobicContact CD2-CZ 4.14Å; F421-F439 HydrophobicContact CE2-CB 4.01Å; F421-F439 HydrophobicContact CE2-CD1 4.2Å; F421-F439 HydrophobicContact CE2-CG 4.04Å; F421-F439 HydrophobicContact CG-CD1 4.34Å; F421-F439 HydrophobicContact CG-CE1 4.25Å; F421-F439 HydrophobicContact CG-CZ 4.39Å; G435-F439 VanDerWaalsContact O-CB 3.26Å; G435-F439 WeakPolarHBondContact O-CB 3.37Å; G435-F439 PolarHBondContact O-N 2.97Å; L437-F439 VanDerWaalsContact C-N 3.31Å; L437-F439 PolarHBondContact O-N 3.31Å; F439-V443 HydrophobicContact CZ-CG2 4.5Å; F439-V443 WeakPolarHBondContact O-CG2 3.41Å; F439-V443 PolarHBondContact O-N 2.75Å; F439-V443 VanDerWaalsContact O-N 3.11Å; F439-F470 AromaticContact CD1-CE2 3.79Å; F439-F470 HydrophobicContact CD1-CE2 3.79Å; F439-F470 HydrophobicContact CE1-CD2 4.41Å; F439-F470 AromaticContact CE1-CE2 3.78Å; F439-F470 HydrophobicContact CE1-CE2 3.78Å; F439-F470 HydrophobicContact CE1-CZ 4.36Å
440L97.4Very high95.8Very high1 Ų142.6 Ų42.61%0.00525%0.245CC..Hα-helixtrans-74-40.1178.9179.4155.5000111.7V436 L437 D438 V443 N444 F470 I473 D474 I477V436-L440 WeakPolarHBondContact O-CB 3.19Å; V436-L440 PolarHBondContact O-N 3.01Å; L437-L440 PolarHBondContact O-N 3.32Å; L437-L440 VanDerWaalsContact O-N 3.15Å; D438-L440 VanDerWaalsContact C-N 3.34Å; D438-L440 PolarHBondContact O-N 2.94Å; L440-V443 WeakPolarHBondContact O-CB 3.31Å; L440-V443 PolarHBondContact O-N 3.24Å; L440-N444 VanDerWaalsContact CD2-ND2 3.34Å; L440-N444 WeakPolarHBondContact CD2-ND2 3.21Å; L440-N444 WeakPolarHBondContact O-CB 3.31Å; L440-N444 VanDerWaalsContact O-CG 3.25Å; L440-N444 PolarHBondContact O-N 2.87Å; L440-N444 PolarHBondContact O-ND2 2.9Å; L440-F470 HydrophobicContact CB-CE2 3.98Å; L440-F470 HydrophobicContact CB-CZ 4.27Å; L440-F470 HydrophobicContact CD1-CE2 4.11Å; L440-F470 HydrophobicContact CD1-CZ 4.36Å; L440-F470 HydrophobicContact CG-CE2 4.24Å; L440-F470 HydrophobicContact CG-CZ 4.22Å; L440-I473 HydrophobicContact CD1-CB 4.29Å; L440-I473 HydrophobicContact CD1-CG2 3.73Å; L440-D474 HydrophobicContact CD1-CB 3.79Å; L440-D474 HydrophobicContact CG-CB 4.28Å; L440-I477 HydrophobicContact CD1-CD1 4.23Å; L440-I477 HydrophobicContact CD2-CB 4.48Å; L440-I477 HydrophobicContact CD2-CD1 3.84Å; L440-I477 HydrophobicContact CD2-CG2 4.14Å
441E95.6Very high95.7Very high47 Ų4748.5 Ų48.522%0.2227%0.274CS..Hα-helixtrans-61.8-45173.3-170.571.7-171.600110.7L437 V443 N444 L445L437-E441 PolarHBondContact O-N 3.34Å; E441-V443 VanDerWaalsContact C-N 3.34Å; E441-V443 PolarHBondContact O-N 2.69Å; E441-N444 PolarHBondContact O-N 2.88Å; E441-N444 VanDerWaalsContact O-N 3.14Å; E441-L445 HydrophobicContact CG-CD1 4.11Å; E441-L445 HydrophobicContact CG-CG 4.43Å; E441-L445 WeakPolarHBondContact O-CB 3.26Å; E441-L445 VanDerWaalsContact O-CG 3.31Å; E441-L445 WeakPolarHBondContact O-CG 3.25Å; E441-L445 PolarHBondContact O-N 3.32Å
442E97.2Very high95.8Very high89 Ų8949.6 Ų49.642%0.41627%0.266SS..Hα-helixtrans-59.9-38.9174-85.6-72.6128.100113.4F397 Y419 D438 K446F397-E442 HydrophobicContact CZ-CG 4.39Å; Y419-E442 HydrophobicContact CE1-CB 4.05Å; Y419-E442 PolarHBondContact OH-O 3.15Å; D438-E442 PolarHBondContact O-N 2.91Å; D438-E442 VanDerWaalsContact O-N 3.11Å; E442-K446 WeakPolarHBondContact O-CB 3.37Å; E442-K446 PolarHBondContact O-N 2.93Å
443V98.2Very high96.1Very high0 Ų046.2 Ų46.20%025%0.251CS..Hα-helixtrans-64.4-41.9173.1159.30000111.3V353 V355 Y419 F439 L440 E441 K446 Q447 I456 F470V353-V443 HydrophobicContact CG1-CG1 4.23Å; V355-V443 HydrophobicContact CG2-CG1 3.96Å; V355-V443 HydrophobicContact CG2-CG2 3.86Å; Y419-V443 HydrophobicContact CD1-CG2 3.64Å; Y419-V443 HydrophobicContact CD2-CG2 4.01Å; Y419-V443 HydrophobicContact CE1-CG2 4.13Å; Y419-V443 HydrophobicContact CE2-CG2 4.45Å; Y419-V443 HydrophobicContact CG-CG2 3.58Å; F439-V443 HydrophobicContact CZ-CG2 4.5Å; F439-V443 WeakPolarHBondContact O-CG2 3.41Å; F439-V443 PolarHBondContact O-N 2.75Å; F439-V443 VanDerWaalsContact O-N 3.11Å; L440-V443 WeakPolarHBondContact O-CB 3.31Å; L440-V443 PolarHBondContact O-N 3.24Å; E441-V443 VanDerWaalsContact C-N 3.34Å; E441-V443 PolarHBondContact O-N 2.69Å; V443-K446 PolarHBondContact O-N 2.94Å; V443-Q447 PolarHBondContact O-N 3.36Å; V443-I456 HydrophobicContact CG1-CD1 4Å; V443-F470 HydrophobicContact CG1-CZ 4.28Å
444N96.3Very high96.1Very high0 Ų046.5 Ų46.50%026%0.255CS..Hα-helixtrans-71.7-48.1-177.4-74.5-16.8000112.6K326 L440 E441 K446 Q447 E448 D474K326-N444 PolarHBondContact NZ-ND2 2.91Å; K326-N444 PolarHBondContact NZ-OD1 3.46Å; L440-N444 VanDerWaalsContact CD2-ND2 3.34Å; L440-N444 WeakPolarHBondContact CD2-ND2 3.21Å; L440-N444 WeakPolarHBondContact O-CB 3.31Å; L440-N444 VanDerWaalsContact O-CG 3.25Å; L440-N444 PolarHBondContact O-N 2.87Å; L440-N444 PolarHBondContact O-ND2 2.9Å; E441-N444 PolarHBondContact O-N 2.88Å; E441-N444 VanDerWaalsContact O-N 3.14Å; N444-K446 PolarHBondContact O-N 3.22Å; N444-Q447 PolarHBondContact O-N 3.04Å; N444-Q447 VanDerWaalsContact O-N 3.17Å; N444-E448 WeakPolarHBondContact O-CB 3.43Å; N444-E448 WeakPolarHBondContact O-CG 3.39Å; N444-E448 PolarHBondContact O-N 3.47Å; N444-D474 PolarHBondContact ND2-OD1 3.28Å; N444-D474 PolarHBondContact OD1-OD1 3.07Å
445L96.3Very high96.3Very high87 Ų8746.8 Ų46.846%0.45526%0.255SS..Hα-helixtrans-55.9-35.8172.4-68.2172.4000111.1E441 S449E441-L445 HydrophobicContact CG-CD1 4.11Å; E441-L445 HydrophobicContact CG-CG 4.43Å; E441-L445 WeakPolarHBondContact O-CB 3.26Å; E441-L445 VanDerWaalsContact O-CG 3.31Å; E441-L445 WeakPolarHBondContact O-CG 3.25Å; E441-L445 PolarHBondContact O-N 3.32Å; L445-S449 VanDerWaalsContact O-CB 3.29Å; L445-S449 WeakPolarHBondContact O-CB 3.31Å; L445-S449 PolarHBondContact O-N 2.87Å; L445-S449 VanDerWaalsContact O-N 3.11Å; L445-S449 PolarHBondContact O-OG 2.58Å
446K97.8Very high96.5Very high51 Ų5145.9 Ų45.922%0.22225%0.246CC..Hα-helixtrans-68.9-48.9175.4-170.155.253.3-177.70112.9V353 W417 Y419 E442 V443 N444 S449 I450V353-K446 HydrophobicContact CG2-CB 4.41Å; V353-K446 HydrophobicContact CG2-CG 4Å; W417-K446 HydrophobicContact CB-CG 4.11Å; W417-K446 HydrophobicContact CD2-CD 3.89Å; W417-K446 HydrophobicContact CD2-CG 4.36Å; W417-K446 HydrophobicContact CG-CD 3.85Å; W417-K446 HydrophobicContact CG-CG 3.84Å; Y419-K446 HydrophobicContact CE2-CB 4.12Å; Y419-K446 HydrophobicContact CE2-CG 4Å; Y419-K446 WeakPolarHBondContact OH-CB 3.37Å; E442-K446 WeakPolarHBondContact O-CB 3.37Å; E442-K446 PolarHBondContact O-N 2.93Å; V443-K446 PolarHBondContact O-N 2.94Å; N444-K446 PolarHBondContact O-N 3.22Å; K446-S449 PolarHBondContact O-N 2.6Å; K446-S449 PolarHBondContact O-OG 2.74Å; K446-I450 HydrophobicContact CD-CD1 4.18Å; K446-I450 HydrophobicContact CG-CD1 4.34Å; K446-I450 WeakPolarHBondContact O-CG1 3.45Å
447Q96.9Very high96.6Very high19 Ų1945.7 Ų45.79%0.08925%0.245CC..Hα-helixtrans-60.9-44.9178.1-176.972.55.200111.2K326 V353 V443 N444 S449 I450 A453 G454 I456K326-Q447 HydrophobicContact CD-CG 4.48Å; K326-Q447 HydrophobicContact CG-CG 4.46Å; V353-Q447 HydrophobicContact CG2-CB 4.31Å; V443-Q447 PolarHBondContact O-N 3.36Å; N444-Q447 PolarHBondContact O-N 3.04Å; N444-Q447 VanDerWaalsContact O-N 3.17Å; Q447-S449 VanDerWaalsContact C-N 3.3Å; Q447-S449 PolarHBondContact O-N 3.13Å; Q447-I450 PolarHBondContact O-N 3.28Å; Q447-A453 PolarHBondContact NE2-O 3.27Å; Q447-G454 PolarHBondContact NE2-O 3.05Å; Q447-I456 HydrophobicContact CB-CD1 4.03Å; Q447-I456 HydrophobicContact CB-CG1 4.43Å; Q447-I456 HydrophobicContact CG-CD1 3.97Å; Q447-I456 HydrophobicContact CG-CG1 4.02Å
448E94.6Very high96.6Very high107 Ų10745.2 Ų45.250%0.524%0.242SC..Hα-helixtrans-67-28.4-179.9-71.6175.5-174.500113.1N444 I450 R481N444-E448 WeakPolarHBondContact O-CB 3.43Å; N444-E448 WeakPolarHBondContact O-CG 3.39Å; N444-E448 PolarHBondContact O-N 3.47Å; E448-I450 PolarHBondContact O-N 3.31Å; E448-R481 VanDerWaalsContact CD-NH2 3.29Å; E448-R481 IonicContact OE1-CZ 3.09Å; E448-R481 VanDerWaalsContact OE1-CZ 3.26Å; E448-R481 IonicContact OE1-NH1 3.37Å; E448-R481 PolarHBondContact OE1-NH1 3.28Å; E448-R481 IonicContact OE1-NH2 2.6Å; E448-R481 PolarHBondContact OE1-NH2 3.03Å; E448-R481 IonicContact OE2-NH2 3.54Å; E448-R481 PolarHBondContact OE2-NH2 3.34Å
449S96.4Very high96.8Very high80 Ų8040 Ų4056%0.55921%0.214SC*.THydrogen-bonded Turntrans-72.7-8.6176.573.60000114.9L445 K446 Q447L445-S449 VanDerWaalsContact O-CB 3.29Å; L445-S449 WeakPolarHBondContact O-CB 3.31Å; L445-S449 PolarHBondContact O-N 2.87Å; L445-S449 VanDerWaalsContact O-N 3.11Å; L445-S449 PolarHBondContact O-OG 2.58Å; K446-S449 PolarHBondContact O-N 2.6Å; K446-S449 PolarHBondContact O-OG 2.74Å; Q447-S449 VanDerWaalsContact C-N 3.3Å; Q447-S449 PolarHBondContact O-N 3.13Å
450I96Very high96.8Very high32 Ų3239.8 Ų39.816%0.16421%0.214CC..SBendtrans-115.4109.7-172.3-57168.6000110R352 K446 Q447 E448 D452 A453R352-I450 HydrophobicContact CB-CD1 3.94Å; R352-I450 HydrophobicContact CB-CG2 4.26Å; R352-I450 HydrophobicContact CG-CG2 3.89Å; K446-I450 HydrophobicContact CD-CD1 4.18Å; K446-I450 HydrophobicContact CG-CD1 4.34Å; K446-I450 WeakPolarHBondContact O-CG1 3.45Å; Q447-I450 PolarHBondContact O-N 3.28Å; E448-I450 PolarHBondContact O-N 3.31Å; I450-D452 PolarHBondContact O-N 3.37Å; I450-A453 HydrophobicContact CB-CB 4.07Å; I450-A453 HydrophobicContact CG2-CB 4.04Å; I450-A453 WeakPolarHBondContact O-CB 3.28Å; I450-A453 PolarHBondContact O-N 2.79Å
451L92.8Very high96.7Very high144 Ų14439.8 Ų39.875%0.75421%0.214SC*.THydrogen-bonded Turntrans-57.4137.6176.5-171.466.3000111.2A453L451-A453 PolarHBondContact O-N 3.25Å; L451-A453 VanDerWaalsContact O-N 3.14Å
452D91.9Very high96.8Very high128 Ų12837.6 Ų37.668%0.68420%0.203SC*.THydrogen-bonded Turntrans50.931.8179.9-52.1-35.6000114.4N350 I450 G454N350-D452 PolarHBondContact ND2-O 2.79Å; I450-D452 PolarHBondContact O-N 3.37Å; D452-G454 PolarHBondContact O-N 3.47Å
453A96.3Very high96.8Very high25 Ų2533.3 Ų33.321%0.20718%0.184CC..  trans-65.1126.117600000112R352 Q447 I450 L451R352-A453 HydrophobicContact CB-CB 3.99Å; R352-A453 HydrophobicContact CG-CB 3.61Å; Q447-A453 PolarHBondContact NE2-O 3.27Å; I450-A453 HydrophobicContact CB-CB 4.07Å; I450-A453 HydrophobicContact CG2-CB 4.04Å; I450-A453 WeakPolarHBondContact O-CB 3.28Å; I450-A453 PolarHBondContact O-N 2.79Å; L451-A453 PolarHBondContact O-N 3.25Å; L451-A453 VanDerWaalsContact O-N 3.14Å
454G97.4Very high96.8Very high12 Ų1233.4 Ų33.412%0.12418%0.184CC..BIsolated β-bridgetrans-68.8175.417200000113.4E349 N350 Q447 D452E349-G454 WeakPolarHBondContact O-CA 3.26Å; N350-G454 PolarHBondContact O-N 3.25Å; N350-G454 VanDerWaalsContact O-N 3.08Å; Q447-G454 PolarHBondContact NE2-O 3.05Å; D452-G454 PolarHBondContact O-N 3.47Å
455P98.3Very high96.8Very high14 Ų1433.4 Ų33.49%0.09118%0.184CC..  trans-52.5145.9-173.819.9-34.8000114.2S327 I329 E349 S351 T457S327-P455 CarbonylContact O-C 3.56Å; S327-P455 WeakPolarHBondContact O-CA 3.35Å; S327-P455 WeakPolarHBondContact O-CB 3.18Å; I329-P455 HydrophobicContact CD1-CG 4.06Å; I329-P455 HydrophobicContact CG1-CB 3.91Å; I329-P455 HydrophobicContact CG1-CG 3.77Å; E349-P455 HydrophobicContact CB-CG 4.28Å; E349-P455 WeakPolarHBondContact O-CD 3.43Å; S351-P455 VanDerWaalsContact CB-O 3.3Å; S351-P455 WeakPolarHBondContact CB-O 3.39Å; S351-P455 PolarHBondContact OG-O 2.86Å; P455-T457 PolarHBondContact O-N 2.67Å
456I98.8Very high96.9Very high0 Ų029.5 Ų29.50%016%0.163CC..EExtended strand (participates in β ladder)trans-71.2121.1176-58.2179.2000108.8K326 S327 Y328 I329 V353 V355 V443 Q447 V458K326-I456 HydrophobicContact CD-CD1 3.86Å; K326-I456 HydrophobicContact CG-CD1 4.13Å; S327-I456 PolarHBondContact O-N 2.94Å; Y328-I456 CarbonylContact C-O 3.56Å; Y328-I456 VanDerWaalsContact CA-O 3.26Å; Y328-I456 WeakPolarHBondContact CA-O 3.44Å; Y328-I456 HydrophobicContact CD1-CB 4.15Å; I329-I456 PolarHBondContact N-O 2.9Å; V353-I456 HydrophobicContact CB-CG1 4.41Å; V353-I456 HydrophobicContact CB-CG2 4.3Å; V353-I456 HydrophobicContact CG1-CG2 4.21Å; V355-I456 HydrophobicContact CG2-CG2 3.76Å; V443-I456 HydrophobicContact CG1-CD1 4Å; Q447-I456 HydrophobicContact CB-CD1 4.03Å; Q447-I456 HydrophobicContact CB-CG1 4.43Å; Q447-I456 HydrophobicContact CG-CD1 3.97Å; Q447-I456 HydrophobicContact CG-CG1 4.02Å; I456-V458 HydrophobicContact CG2-CG2 3.91Å; I456-V458 PolarHBondContact O-N 3.15Å
457T98.9Very high96.9Very high0 Ų027.1 Ų27.10%015%0.153CC..EExtended strand (participates in β ladder)trans-82.8109.9177.5-67.30000110.2T331 F342 M345 S351 V353 I354 V355 P455T331-T457 HydrophobicContact CG2-CG2 3.9Å; F342-T457 HydrophobicContact CE2-CG2 3.76Å; F342-T457 HydrophobicContact CZ-CG2 3.94Å; M345-T457 HydrophobicContact CE-CG2 3.63Å; S351-T457 PolarHBondContact OG-OG1 3.15Å; V353-T457 PolarHBondContact O-N 3.07Å; I354-T457 CarbonylContact C-O 3.5Å; I354-T457 VanDerWaalsContact CA-O 3.3Å; I354-T457 WeakPolarHBondContact CA-O 3.2Å; I354-T457 HydrophobicContact CG2-CG2 4.34Å; V355-T457 PolarHBondContact N-O 3.12Å; P455-T457 PolarHBondContact O-N 2.67Å
458V98.9Very high97Very high0 Ų026.2 Ų26.20%015%0.149CC..EExtended strand (participates in β ladder)trans-112127.1-177.1-169.80000110.8Y328 I329 T331 V355 I456 T467 F470 I471Y328-V458 HydrophobicContact CD1-CG2 4.28Å; I329-V458 PolarHBondContact O-N 2.84Å; T331-V458 PolarHBondContact N-O 3.18Å; T331-V458 VanDerWaalsContact N-O 3.11Å; V355-V458 HydrophobicContact CB-CB 4.44Å; V355-V458 HydrophobicContact CB-CG1 4.16Å; V355-V458 HydrophobicContact CB-CG2 4.2Å; V355-V458 HydrophobicContact CG1-CG1 4.16Å; V355-V458 WeakPolarHBondContact O-CA 3.43Å; I456-V458 HydrophobicContact CG2-CG2 3.91Å; I456-V458 PolarHBondContact O-N 3.15Å; V458-T467 HydrophobicContact CB-CG2 4.12Å; V458-T467 HydrophobicContact CG1-CG2 3.95Å; V458-T467 WeakPolarHBondContact O-CG2 3.5Å; V458-F470 HydrophobicContact CG1-CD1 3.95Å; V458-F470 HydrophobicContact CG2-CD1 4.28Å; V458-F470 HydrophobicContact CG2-CE1 4.48Å; V458-I471 HydrophobicContact CB-CD1 4.04Å; V458-I471 HydrophobicContact CB-CG1 4.22Å; V458-I471 HydrophobicContact CG1-CD1 4.48Å; V458-I471 HydrophobicContact CG1-CG1 4.35Å; V458-I471 HydrophobicContact CG2-CD1 4.11Å; V458-I471 HydrophobicContact CG2-CG1 3.94Å
459H98.9Very high97.2Very high0 Ų021.1 Ų21.10%013%0.125CC..EExtended strand (participates in β ladder)trans-139.9160.5177.269.397.3000115.1T331 V355 M356 T357 Y371 T467T331-H459 HydrophobicContact CG2-CB 3.79Å; T331-H459 WeakPolarHBondContact O-CA 3.42Å; T331-H459 WeakPolarHBondContact O-CB 3.27Å; V355-H459 PolarHBondContact O-N 3.08Å; M356-H459 VanDerWaalsContact CG-CE1 3.41Å; M356-H459 WeakPolarHBondContact CG-CE1 3.09Å; M356-H459 VanDerWaalsContact SD-CE1 3.51Å; T357-H459 PolarHBondContact N-O 2.74Å; T357-H459 PolarHBondContact OG1-O 3.07Å; Y371-H459 AromaticContact CE1-CE1 3.6Å; Y371-H459 AromaticContact CE1-NE2 3.59Å; Y371-H459 AromaticContact CZ-CE1 4Å; Y371-H459 AromaticContact CZ-NE2 3.51Å; Y371-H459 PolarHBondContact OH-NE2 2.92Å; H459-T467 WeakPolarHBondContact CA-OG1 3.38Å
460C97.1Very high97.3Very high0 Ų017.3 Ų17.30%010%0.098CC..  trans-134.2-129.4169.570.60000108.6G333 T357 G463 R466 T467G333-C460 WeakPolarHBondContact CA-O 3.28Å; G333-C460 PolarHBondContact N-O 3.38Å; G333-C460 VanDerWaalsContact N-O 3.1Å; T357-C460 VanDerWaalsContact OG1-CB 3.29Å; T357-C460 WeakPolarHBondContact OG1-CB 3.45Å; C460-G463 PolarHBondContact SG-N 3.14Å; C460-R466 HydrophobicContact CB-CB 3.95Å; C460-T467 PolarHBondContact N-OG1 3.31Å
461S96.5Very high97.4Very high0 Ų015.8 Ų15.80%09%0.09CC..SBendtrans-86.3-63.8167.4-1610000111.7R279 Y280 G333 K367R279-S461 WeakPolarHBondContact CD-O 3.49Å; Y280-S461 PolarHBondContact OH-OG 3.1Å; G333-S461 PolarHBondContact N-O 3.42Å; K367-S461 WeakPolarHBondContact CA-OG 3.38Å; K367-S461 PolarHBondContact O-OG 3.48Å
462A96.9Very high97.7Very high1 Ų19 Ų91%0.0086%0.055CC..SBendtrans-85.8-14.8179.700000114D61 Y62 Y280 I283 I464 R502D61-A462 WeakPolarHBondContact O-CB 3.45Å; Y62-A462 HydrophobicContact CD1-CB 4.43Å; Y280-A462 HydrophobicContact CD2-CB 3.84Å; Y280-A462 HydrophobicContact CE2-CB 3.77Å; I283-A462 HydrophobicContact CD1-CB 4.04Å; I283-A462 HydrophobicContact CG2-CB 4.43Å; A462-I464 HydrophobicContact CB-CD1 4.28Å; A462-I464 HydrophobicContact CB-CG1 3.94Å; A462-R502 PolarHBondContact O-NH2 3.45Å
463G97.8Very high98Very high0 Ų02.9 Ų2.90%02%0.022CC..SBendtrans72.428.1-176.800000114.2T331 C460 R502T331-G463 WeakPolarHBondContact O-CA 3.46Å; C460-G463 PolarHBondContact SG-N 3.14Å; G463-R502 PolarHBondContact O-NE 3.32Å
464I97.8Very high98.1Very high1 Ų11.7 Ų1.71%0.0051%0.012CC..SBendtrans-130.7-49.6-176.166.3178.8000113.6D61 A72 I283 A462 G468 R502 S503 M505 V506 Q507D61-I464 WeakPolarHBondContact O-CD1 3.49Å; D61-I464 VanDerWaalsContact O-CG1 3.3Å; D61-I464 WeakPolarHBondContact O-CG1 3.42Å; A72-I464 HydrophobicContact CB-CD1 3.56Å; I283-I464 HydrophobicContact CD1-CD1 4.27Å; I283-I464 HydrophobicContact CG2-CD1 4.2Å; I283-I464 HydrophobicContact CG2-CG2 4.24Å; A462-I464 HydrophobicContact CB-CD1 4.28Å; A462-I464 HydrophobicContact CB-CG1 3.94Å; I464-G468 WeakPolarHBondContact O-CA 3.31Å; I464-G468 PolarHBondContact O-N 2.82Å; I464-R502 HydrophobicContact CG2-CG 4.32Å; I464-S503 WeakPolarHBondContact CG2-O 3.18Å; I464-M505 HydrophobicContact CB-SD 4.46Å; I464-M505 WeakPolarHBondContact O-CA 3.4Å; I464-V506 PolarHBondContact O-N 3.33Å; I464-Q507 HydrophobicContact CD1-CG 4.2Å; I464-Q507 HydrophobicContact CG1-CG 4Å
465G96.6Very high98.1Very high0 Ų01.6 Ų1.60%01%0.009CC..Hα-helixtrans-72.7-85.6-176.900000113.6G60 T467 G468 T469G60-G465 WeakPolarHBondContact O-CA 3.48Å; G465-T467 VanDerWaalsContact C-N 3.27Å; G465-T467 PolarHBondContact O-N 3.19Å; G465-G468 PolarHBondContact O-N 2.9Å; G465-G468 VanDerWaalsContact O-N 3.14Å; G465-T469 PolarHBondContact O-N 3.34Å; G465-T469 PolarHBondContact O-OG1 2.87Å
466R98.1Very high98Very high6 Ų61.1 Ų1.12%0.0231%0.005CC..Hα-helixtrans-55.1-41.5177.6-55.6-174.9-172.8156.76.5112.5T357 T358 E362 W424 P425 C460 T469 F470T357-R466 WeakPolarHBondContact O-CD 3.33Å; T357-R466 PolarHBondContact O-NH1 3.16Å; T358-R466 PolarHBondContact OG1-NH1 2.86Å; E362-R466 IonicContact OE1-CZ 2.76Å; E362-R466 IonicContact OE1-NH1 2.68Å; E362-R466 PolarHBondContact OE1-NH1 2.86Å; E362-R466 IonicContact OE1-NH2 3.32Å; E362-R466 IonicContact OE2-CZ 3.8Å; E362-R466 IonicContact OE2-NH1 3.51Å; E362-R466 PolarHBondContact OE2-NH1 2.72Å; E362-R466 IonicContact OE2-NH2 2.69Å; E362-R466 PolarHBondContact OE2-NH2 3.09Å; W424-R466 HydrophobicContact CD2-CG 4.12Å; W424-R466 HydrophobicContact CG-CG 4.45Å; W424-R466 HydrophobicContact CH2-CB 4.43Å; W424-R466 HydrophobicContact CZ2-CB 4.23Å; W424-R466 HydrophobicContact CZ2-CG 3.97Å; P425-R466 PolarHBondContact O-NH2 3.06Å; P425-R466 VanDerWaalsContact O-NH2 3.09Å; C460-R466 HydrophobicContact CB-CB 3.95Å; R466-T469 WeakPolarHBondContact O-CB 3.41Å; R466-T469 PolarHBondContact O-N 3Å; R466-F470 PolarHBondContact O-N 2.98Å
467T98.7Very high97.8Very high0 Ų01.1 Ų1.10%01%0.005CC..Hα-helixtrans-56.1-50.9173.3-650000112.9A330 V458 H459 C460 G465 T469 F470 I471 M505A330-T467 HydrophobicContact CB-CG2 3.78Å; V458-T467 HydrophobicContact CB-CG2 4.12Å; V458-T467 HydrophobicContact CG1-CG2 3.95Å; V458-T467 WeakPolarHBondContact O-CG2 3.5Å; H459-T467 WeakPolarHBondContact CA-OG1 3.38Å; C460-T467 PolarHBondContact N-OG1 3.31Å; G465-T467 VanDerWaalsContact C-N 3.27Å; G465-T467 PolarHBondContact O-N 3.19Å; T467-T469 VanDerWaalsContact C-N 3.33Å; T467-F470 PolarHBondContact O-N 3.02Å; T467-I471 HydrophobicContact CG2-CD1 3.93Å; T467-I471 WeakPolarHBondContact O-CB 3.18Å; T467-I471 WeakPolarHBondContact O-CG1 3.27Å; T467-I471 PolarHBondContact O-N 3.01Å; T467-M505 HydrophobicContact CG2-CE 4.39Å
468G98.4Very high97.6Very high0 Ų02.7 Ų2.70%01%0.014CC..Hα-helixtrans-67.9-34177.800000112.6I464 G465 V472I464-G468 WeakPolarHBondContact O-CA 3.31Å; I464-G468 PolarHBondContact O-N 2.82Å; G465-G468 PolarHBondContact O-N 2.9Å; G465-G468 VanDerWaalsContact O-N 3.14Å; G468-V472 WeakPolarHBondContact O-CB 3.34Å; G468-V472 WeakPolarHBondContact O-CG2 3.41Å; G468-V472 PolarHBondContact O-N 3.38Å
469T98.7Very high97.2Very high0 Ų04.2 Ų4.20%02%0.023CC..Hα-helixtrans-62.5-49.4175.7-480000110.6W424 G465 R466 T467 V472 I473 Q511 F514 I515W424-T469 HydrophobicContact CH2-CG2 3.89Å; W424-T469 HydrophobicContact CZ2-CG2 4.4Å; G465-T469 PolarHBondContact O-N 3.34Å; G465-T469 PolarHBondContact O-OG1 2.87Å; R466-T469 WeakPolarHBondContact O-CB 3.41Å; R466-T469 PolarHBondContact O-N 3Å; T467-T469 VanDerWaalsContact C-N 3.33Å; T469-V472 PolarHBondContact O-N 3.4Å; T469-I473 HydrophobicContact CG2-CD1 4.15Å; T469-I473 VanDerWaalsContact O-CG1 3.3Å; T469-I473 WeakPolarHBondContact O-CG1 3.31Å; T469-I473 PolarHBondContact O-N 2.93Å; T469-I473 VanDerWaalsContact O-N 3.12Å; T469-Q511 HydrophobicContact CG2-CB 4.29Å; T469-Q511 PolarHBondContact OG1-OE1 2.85Å; T469-F514 HydrophobicContact CG2-CD1 4.09Å; T469-I515 HydrophobicContact CG2-CD1 4.33Å; T469-I515 HydrophobicContact CG2-CG1 3.86Å
470F98.7Very high96.8Very high1 Ų14.3 Ų4.30%0.0042%0.023CC..Hα-helixtrans-60.8-51.9176.9-177.4-91000111.9V355 F439 L440 V443 V458 R466 T467 V472 I473 D474V355-F470 HydrophobicContact CB-CE1 4.46Å; V355-F470 HydrophobicContact CG1-CD1 4.23Å; V355-F470 HydrophobicContact CG1-CE1 4Å; V355-F470 HydrophobicContact CG1-CE2 4.31Å; V355-F470 HydrophobicContact CG1-CZ 4.04Å; V355-F470 HydrophobicContact CG2-CE1 4.15Å; V355-F470 HydrophobicContact CG2-CZ 4.28Å; F439-F470 AromaticContact CD1-CE2 3.79Å; F439-F470 HydrophobicContact CD1-CE2 3.79Å; F439-F470 HydrophobicContact CE1-CD2 4.41Å; F439-F470 AromaticContact CE1-CE2 3.78Å; F439-F470 HydrophobicContact CE1-CE2 3.78Å; F439-F470 HydrophobicContact CE1-CZ 4.36Å; L440-F470 HydrophobicContact CB-CE2 3.98Å; L440-F470 HydrophobicContact CB-CZ 4.27Å; L440-F470 HydrophobicContact CD1-CE2 4.11Å; L440-F470 HydrophobicContact CD1-CZ 4.36Å; L440-F470 HydrophobicContact CG-CE2 4.24Å; L440-F470 HydrophobicContact CG-CZ 4.22Å; V443-F470 HydrophobicContact CG1-CZ 4.28Å; V458-F470 HydrophobicContact CG1-CD1 3.95Å; V458-F470 HydrophobicContact CG2-CD1 4.28Å; V458-F470 HydrophobicContact CG2-CE1 4.48Å; R466-F470 PolarHBondContact O-N 2.98Å; T467-F470 PolarHBondContact O-N 3.02Å; F470-V472 VanDerWaalsContact C-N 3.31Å; F470-V472 PolarHBondContact O-N 2.87Å; F470-I473 PolarHBondContact O-N 3.13Å; F470-D474 WeakPolarHBondContact O-CB 3.41Å; F470-D474 PolarHBondContact O-N 2.89Å
471I98.7Very high96.5Very high0 Ų08 Ų80%04%0.038CC..Hα-helixtrans-59.6-39.8-179.4-71.6170.7000111.7I311 Y328 A330 V458 T467 D474 I475 V498 M505I311-I471 HydrophobicContact CG1-CD1 4.44Å; I311-I471 HydrophobicContact CG2-CG2 4.25Å; Y328-I471 HydrophobicContact CD1-CG1 3.99Å; Y328-I471 HydrophobicContact CD2-CG2 3.84Å; Y328-I471 HydrophobicContact CE2-CG2 4.04Å; Y328-I471 HydrophobicContact CG-CD1 4.18Å; Y328-I471 HydrophobicContact CG-CG1 4.02Å; Y328-I471 HydrophobicContact CG-CG2 4.11Å; A330-I471 HydrophobicContact CB-CD1 4.08Å; V458-I471 HydrophobicContact CB-CD1 4.04Å; V458-I471 HydrophobicContact CB-CG1 4.22Å; V458-I471 HydrophobicContact CG1-CD1 4.48Å; V458-I471 HydrophobicContact CG1-CG1 4.35Å; V458-I471 HydrophobicContact CG2-CD1 4.11Å; V458-I471 HydrophobicContact CG2-CG1 3.94Å; T467-I471 HydrophobicContact CG2-CD1 3.93Å; T467-I471 WeakPolarHBondContact O-CB 3.18Å; T467-I471 WeakPolarHBondContact O-CG1 3.27Å; T467-I471 PolarHBondContact O-N 3.01Å; I471-D474 PolarHBondContact O-N 3.06Å; I471-I475 HydrophobicContact CG2-CD1 3.65Å; I471-I475 HydrophobicContact CG2-CG1 4.32Å; I471-I475 WeakPolarHBondContact O-CB 3.48Å; I471-I475 WeakPolarHBondContact O-CG1 3.35Å; I471-I475 PolarHBondContact O-N 2.88Å; I471-V498 HydrophobicContact CG2-CG2 4.45Å; I471-M505 HydrophobicContact CD1-CE 4.04Å
472V98.6Very high96.1Very high0 Ų013.2 Ų13.20%06%0.062CC..Hα-helixtrans-72.1-39.7-179.1170.90000112G468 T469 F470 D474 L476 T494 I495 V498 V506 I515G468-V472 WeakPolarHBondContact O-CB 3.34Å; G468-V472 WeakPolarHBondContact O-CG2 3.41Å; G468-V472 PolarHBondContact O-N 3.38Å; T469-V472 PolarHBondContact O-N 3.4Å; F470-V472 VanDerWaalsContact C-N 3.31Å; F470-V472 PolarHBondContact O-N 2.87Å; V472-D474 VanDerWaalsContact C-N 3.29Å; V472-D474 PolarHBondContact O-N 2.88Å; V472-L476 HydrophobicContact CG1-CD1 3.86Å; V472-L476 WeakPolarHBondContact O-CD1 3.26Å; V472-L476 VanDerWaalsContact O-CG 3.26Å; V472-L476 WeakPolarHBondContact O-CG 3.41Å; V472-L476 PolarHBondContact O-N 3.32Å; V472-L476 VanDerWaalsContact O-N 3.1Å; V472-T494 HydrophobicContact CG1-CG2 4.11Å; V472-I495 HydrophobicContact CB-CG1 4.38Å; V472-I495 HydrophobicContact CG1-CD1 4.47Å; V472-I495 HydrophobicContact CG1-CG1 3.71Å; V472-I495 HydrophobicContact CG2-CG1 3.97Å; V472-V498 HydrophobicContact CG2-CB 4.25Å; V472-V498 HydrophobicContact CG2-CG1 4.46Å; V472-V498 HydrophobicContact CG2-CG2 3.98Å; V472-V506 HydrophobicContact CG2-CG2 4.27Å; V472-I515 HydrophobicContact CB-CD1 4.25Å; V472-I515 HydrophobicContact CG1-CD1 4.01Å; V472-I515 HydrophobicContact CG1-CG2 3.92Å
473I98.6Very high95.5Very high0 Ų017.4 Ų17.40%08%0.08CC..Hα-helixtrans-58.5-46.9172.5-67.5165.8000109.5L437 L440 T469 F470 L476 I477 F514 I515 A518L437-I473 HydrophobicContact CD2-CG2 4.29Å; L440-I473 HydrophobicContact CD1-CB 4.29Å; L440-I473 HydrophobicContact CD1-CG2 3.73Å; T469-I473 HydrophobicContact CG2-CD1 4.15Å; T469-I473 VanDerWaalsContact O-CG1 3.3Å; T469-I473 WeakPolarHBondContact O-CG1 3.31Å; T469-I473 PolarHBondContact O-N 2.93Å; T469-I473 VanDerWaalsContact O-N 3.12Å; F470-I473 PolarHBondContact O-N 3.13Å; I473-L476 PolarHBondContact O-N 3.47Å; I473-I477 HydrophobicContact CG2-CD1 3.59Å; I473-I477 HydrophobicContact CG2-CG1 4.33Å; I473-I477 WeakPolarHBondContact O-CB 3.41Å; I473-I477 WeakPolarHBondContact O-CG1 3.31Å; I473-I477 PolarHBondContact O-N 3.33Å; I473-F514 HydrophobicContact CD1-CD1 3.96Å; I473-F514 HydrophobicContact CD1-CE1 3.93Å; I473-I515 HydrophobicContact CD1-CG1 4.33Å; I473-I515 HydrophobicContact CG1-CB 4.15Å; I473-I515 HydrophobicContact CG1-CG1 3.92Å; I473-I515 HydrophobicContact CG1-CG2 4.05Å; I473-A518 HydrophobicContact CD1-CB 3.78Å; I473-A518 HydrophobicContact CG1-CB 4.09Å; I473-A518 HydrophobicContact CG2-CB 4.01Å
474D98.1Very high94.9Very high0 Ų018.8 Ų18.80%09%0.094CC..Hα-helixtrans-64.7-41.9-177.3-16521.3000113.1K326 Y328 L440 N444 F470 I471 V472 L476 I477 D478K326-D474 WeakPolarHBondContact CE-OD2 3.4Å; K326-D474 IonicContact NZ-OD1 3.7Å; K326-D474 PolarHBondContact NZ-OD1 3.46Å; K326-D474 IonicContact NZ-OD2 2.69Å; K326-D474 PolarHBondContact NZ-OD2 2.66Å; Y328-D474 VanDerWaalsContact CE1-OD2 3.29Å; Y328-D474 WeakPolarHBondContact CE1-OD2 3.46Å; Y328-D474 PolarHBondContact OH-OD2 2.96Å; L440-D474 HydrophobicContact CD1-CB 3.79Å; L440-D474 HydrophobicContact CG-CB 4.28Å; N444-D474 PolarHBondContact ND2-OD1 3.28Å; N444-D474 PolarHBondContact OD1-OD1 3.07Å; F470-D474 WeakPolarHBondContact O-CB 3.41Å; F470-D474 PolarHBondContact O-N 2.89Å; I471-D474 PolarHBondContact O-N 3.06Å; V472-D474 VanDerWaalsContact C-N 3.29Å; V472-D474 PolarHBondContact O-N 2.88Å; D474-L476 VanDerWaalsContact C-N 3.34Å; D474-L476 PolarHBondContact O-N 2.91Å; D474-I477 PolarHBondContact O-N 3.39Å; D474-D478 WeakPolarHBondContact O-CB 3.36Å; D474-D478 PolarHBondContact O-N 2.98Å
475I97.1Very high94.1Very high11 Ų1120 Ų206%0.05610%0.101CC..Hα-helixtrans-62.3-39.3173.6-70.8171.5000111.9P313 Y328 I471 V479 T494 M497 V498P313-I475 HydrophobicContact CB-CD1 4.49Å; P313-I475 HydrophobicContact CB-CG2 4.37Å; P313-I475 HydrophobicContact CG-CD1 4.14Å; P313-I475 HydrophobicContact CG-CG1 4.06Å; Y328-I475 HydrophobicContact CD2-CD1 4.44Å; Y328-I475 HydrophobicContact CE2-CD1 3.78Å; Y328-I475 HydrophobicContact CE2-CG1 3.61Å; I471-I475 HydrophobicContact CG2-CD1 3.65Å; I471-I475 HydrophobicContact CG2-CG1 4.32Å; I471-I475 WeakPolarHBondContact O-CB 3.48Å; I471-I475 WeakPolarHBondContact O-CG1 3.35Å; I471-I475 PolarHBondContact O-N 2.88Å; I475-V479 WeakPolarHBondContact O-CG2 3.34Å; I475-V479 PolarHBondContact O-N 2.62Å; I475-T494 HydrophobicContact CB-CG2 4.34Å; I475-T494 HydrophobicContact CG2-CG2 3.75Å; I475-M497 HydrophobicContact CD1-CE 4.26Å; I475-M497 HydrophobicContact CG2-CE 4.46Å; I475-V498 HydrophobicContact CD1-CG2 3.89Å
476L96.1Very high93.1Very high3 Ų326 Ų262%0.01613%0.133CC..Hα-helixtrans-71.5-40.4178.7-69.6165.5000111.3V472 I473 D474 V479 I480 I489 V491 T494 I515 V519V472-L476 HydrophobicContact CG1-CD1 3.86Å; V472-L476 WeakPolarHBondContact O-CD1 3.26Å; V472-L476 VanDerWaalsContact O-CG 3.26Å; V472-L476 WeakPolarHBondContact O-CG 3.41Å; V472-L476 PolarHBondContact O-N 3.32Å; V472-L476 VanDerWaalsContact O-N 3.1Å; I473-L476 PolarHBondContact O-N 3.47Å; D474-L476 VanDerWaalsContact C-N 3.34Å; D474-L476 PolarHBondContact O-N 2.91Å; L476-V479 PolarHBondContact O-N 2.86Å; L476-I480 WeakPolarHBondContact O-CD1 3.49Å; L476-I480 WeakPolarHBondContact O-CG1 3.4Å; L476-I480 PolarHBondContact O-N 3.22Å; L476-I480 VanDerWaalsContact O-N 3.16Å; L476-I489 HydrophobicContact CD2-CB 4.32Å; L476-I489 HydrophobicContact CD2-CG2 4.35Å; L476-V491 HydrophobicContact CD1-CB 4.42Å; L476-V491 HydrophobicContact CD1-CG1 4.15Å; L476-V491 HydrophobicContact CD1-CG2 3.92Å; L476-T494 HydrophobicContact CD2-CG2 4.35Å; L476-T494 HydrophobicContact CG-CG2 4.34Å; L476-I515 HydrophobicContact CD1-CG2 3.7Å; L476-V519 HydrophobicContact CB-CG2 3.86Å; L476-V519 HydrophobicContact CD1-CG2 3.97Å
477I95.5Very high92.4Very high0 Ų026.2 Ų26.20%014%0.136CC..Hα-helixtrans-64.4-43.9175.7-74174.3000111.3L437 L440 I473 D474 V479 I480 R481 Y522L437-I477 HydrophobicContact CD2-CD1 3.42Å; L437-I477 VanDerWaalsContact CD2-CD1 3.42Å; L440-I477 HydrophobicContact CD1-CD1 4.23Å; L440-I477 HydrophobicContact CD2-CB 4.48Å; L440-I477 HydrophobicContact CD2-CD1 3.84Å; L440-I477 HydrophobicContact CD2-CG2 4.14Å; I473-I477 HydrophobicContact CG2-CD1 3.59Å; I473-I477 HydrophobicContact CG2-CG1 4.33Å; I473-I477 WeakPolarHBondContact O-CB 3.41Å; I473-I477 WeakPolarHBondContact O-CG1 3.31Å; I473-I477 PolarHBondContact O-N 3.33Å; D474-I477 PolarHBondContact O-N 3.39Å; I477-V479 VanDerWaalsContact C-N 3.29Å; I477-V479 PolarHBondContact O-N 3.41Å; I477-I480 CarbonylContact O-C 3.59Å; I477-I480 PolarHBondContact O-N 2.99Å; I477-I480 VanDerWaalsContact O-N 3.09Å; I477-R481 HydrophobicContact CG2-CG 4.18Å; I477-R481 WeakPolarHBondContact O-CG 3.49Å; I477-R481 PolarHBondContact O-N 3.05Å; I477-Y522 HydrophobicContact CD1-CD2 3.86Å; I477-Y522 HydrophobicContact CD1-CE2 4.43Å; I477-Y522 HydrophobicContact CD1-CG 4.01Å; I477-Y522 HydrophobicContact CG1-CD1 4.13Å; I477-Y522 HydrophobicContact CG1-CD2 4.15Å; I477-Y522 HydrophobicContact CG1-CG 3.94Å; I477-Y522 HydrophobicContact CG2-CD1 4.45Å; I477-Y522 HydrophobicContact CG2-CD2 4.2Å; I477-Y522 HydrophobicContact CG2-CE1 4.04Å; I477-Y522 HydrophobicContact CG2-CE2 3.76Å
478D93.1Very high91.5Very high33 Ų3330.2 Ų30.218%0.17616%0.157CC..Hα-helixtrans-60.8-36.8175.4-92.53.4000112.5K326 D474 I480 R481 E482K326-D478 WeakPolarHBondContact CE-OD2 3.4Å; K326-D478 IonicContact NZ-OD1 2.65Å; K326-D478 PolarHBondContact NZ-OD1 3.25Å; K326-D478 VanDerWaalsContact NZ-OD1 3.1Å; K326-D478 IonicContact NZ-OD2 3.02Å; K326-D478 PolarHBondContact NZ-OD2 2.73Å; D474-D478 WeakPolarHBondContact O-CB 3.36Å; D474-D478 PolarHBondContact O-N 2.98Å; D478-I480 VanDerWaalsContact C-N 3.33Å; D478-I480 PolarHBondContact O-N 3.2Å; D478-R481 PolarHBondContact O-N 3.18Å; D478-R481 IonicContact OD1-CZ 2.8Å; D478-R481 IonicContact OD1-NH1 3.47Å; D478-R481 PolarHBondContact OD1-NH1 2.95Å; D478-E482 VanDerWaalsContact O-CB 3.27Å; D478-E482 WeakPolarHBondContact O-CB 3.45Å; D478-E482 PolarHBondContact O-N 3.4Å
479V90.9Very high90.9Very high32 Ų3230.4 Ų30.419%0.19416%0.158CC..Hα-helixtrans-63.4-39.6174167.70000111.4I475 L476 I477 K483I475-V479 WeakPolarHBondContact O-CG2 3.34Å; I475-V479 PolarHBondContact O-N 2.62Å; L476-V479 PolarHBondContact O-N 2.86Å; I477-V479 VanDerWaalsContact C-N 3.29Å; I477-V479 PolarHBondContact O-N 3.41Å; V479-K483 HydrophobicContact CG1-CD 4.41Å; V479-K483 VanDerWaalsContact O-CB 3.32Å; V479-K483 WeakPolarHBondContact O-CB 3.4Å; V479-K483 PolarHBondContact O-N 3.3Å
480I91.3Very high90.4Very high2 Ų231.2 Ų31.21%0.0116%0.162CC..Hα-helixtrans-71.8-36.9176.9-62.5154.6000111.2A224 L476 I477 D478 G484 V519 Y522 I523 L526A224-I480 HydrophobicContact CB-CG1 4.22Å; L476-I480 WeakPolarHBondContact O-CD1 3.49Å; L476-I480 WeakPolarHBondContact O-CG1 3.4Å; L476-I480 PolarHBondContact O-N 3.22Å; L476-I480 VanDerWaalsContact O-N 3.16Å; I477-I480 CarbonylContact O-C 3.59Å; I477-I480 PolarHBondContact O-N 2.99Å; I477-I480 VanDerWaalsContact O-N 3.09Å; D478-I480 VanDerWaalsContact C-N 3.33Å; D478-I480 PolarHBondContact O-N 3.2Å; I480-G484 VanDerWaalsContact O-CA 3.24Å; I480-G484 WeakPolarHBondContact O-CA 3.44Å; I480-G484 PolarHBondContact O-N 3.01Å; I480-V519 HydrophobicContact CD1-CG1 3.87Å; I480-Y522 HydrophobicContact CG2-CD1 4.4Å; I480-Y522 HydrophobicContact CG2-CE1 4.09Å; I480-I523 HydrophobicContact CD1-CD1 3.73Å; I480-I523 HydrophobicContact CD1-CG1 4.02Å; I480-I523 HydrophobicContact CG1-CD1 4.49Å; I480-I523 HydrophobicContact CG2-CG1 4.3Å; I480-L526 HydrophobicContact CG2-CD2 4Å
481R90.4Very high90.2Very high79 Ų7931.2 Ų31.230%0.29816%0.163SC..Hα-helixtrans-65.7-39.9173.9-70.8169.576-117.6-1.7112.1E448 I477 D478 Y522E448-R481 VanDerWaalsContact CD-NH2 3.29Å; E448-R481 IonicContact OE1-CZ 3.09Å; E448-R481 VanDerWaalsContact OE1-CZ 3.26Å; E448-R481 IonicContact OE1-NH1 3.37Å; E448-R481 PolarHBondContact OE1-NH1 3.28Å; E448-R481 IonicContact OE1-NH2 2.6Å; E448-R481 PolarHBondContact OE1-NH2 3.03Å; E448-R481 IonicContact OE2-NH2 3.54Å; E448-R481 PolarHBondContact OE2-NH2 3.34Å; I477-R481 HydrophobicContact CG2-CG 4.18Å; I477-R481 WeakPolarHBondContact O-CG 3.49Å; I477-R481 PolarHBondContact O-N 3.05Å; D478-R481 PolarHBondContact O-N 3.18Å; D478-R481 IonicContact OD1-CZ 2.8Å; D478-R481 IonicContact OD1-NH1 3.47Å; D478-R481 PolarHBondContact OD1-NH1 2.95Å; R481-Y522 WeakPolarHBondContact CG-OH 3.3Å
482E87.9Confident89.9Confident109 Ų10931.6 Ų31.651%0.50917%0.165SC..Hα-helixtrans-74.9-39.5179.2-177.7-178.4-143.400112.5K325 D478K325-E482 IonicContact NZ-OE2 2.74Å; D478-E482 VanDerWaalsContact O-CB 3.27Å; D478-E482 WeakPolarHBondContact O-CB 3.45Å; D478-E482 PolarHBondContact O-N 3.4Å
483K85.1Confident89.4Confident89 Ų8935.6 Ų35.639%0.38718%0.182SC..Hα-helixtrans-118.4-1.6-165.2-54.8-177.9-172.61780114.9D316 V479 C487D316-K483 IonicContact OD1-NZ 3.28Å; D316-K483 PolarHBondContact OD1-NZ 3.09Å; D316-K483 IonicContact OD2-NZ 2.86Å; D316-K483 PolarHBondContact OD2-NZ 3.24Å; V479-K483 HydrophobicContact CG1-CD 4.41Å; V479-K483 VanDerWaalsContact O-CB 3.32Å; V479-K483 WeakPolarHBondContact O-CB 3.4Å; V479-K483 PolarHBondContact O-N 3.3Å; K483-C487 HydrophobicContact CB-CB 3.71Å
484G83.9Confident89.3Confident29 Ų2936.6 Ų36.630%0.29919%0.189SC..  trans79.2180-179.100000114.1I480 D486 C487I480-G484 VanDerWaalsContact O-CA 3.24Å; I480-G484 WeakPolarHBondContact O-CA 3.44Å; I480-G484 PolarHBondContact O-N 3.01Å; G484-D486 VanDerWaalsContact C-N 3.26Å; G484-D486 PolarHBondContact O-N 3.02Å; G484-C487 PolarHBondContact O-SG 3.19Å
485V81.6Confident89.2Confident25 Ų2536.6 Ų36.615%0.15219%0.189CC..THydrogen-bonded Turntrans-71.3-17.4-178.6-64.20000113.8N223 A224 A225 C487 I523 L526N223-V485 PolarHBondContact OD1-O 3.29Å; N223-V485 VanDerWaalsContact OD1-O 3.13Å; A224-V485 WeakPolarHBondContact CB-O 3.22Å; A225-V485 PolarHBondContact N-O 3.01Å; V485-C487 PolarHBondContact O-N 3.26Å; V485-I523 HydrophobicContact CG1-CG2 4.32Å; V485-L526 HydrophobicContact CG1-CD2 3.89Å; V485-L526 HydrophobicContact CG1-CG 4.45Å
486D76.5Confident89Confident126 Ų12638 Ų3867%0.67420%0.195SC*.THydrogen-bonded Turntrans-84.710.9179.9-54.6-66.4000113.4N223 G484N223-D486 VanDerWaalsContact ND2-C 3.31Å; N223-D486 PolarHBondContact ND2-O 3.18Å; G484-D486 VanDerWaalsContact C-N 3.26Å; G484-D486 PolarHBondContact O-N 3.02Å
487C82.3Confident88.9Confident12 Ų1239 Ų398%0.08120%0.2CC..SBendtrans-82.4156.2-177710000114N223 A224 K483 G484 V485N223-C487 CarbonylContact C-O 3.51Å; A224-C487 PolarHBondContact N-O 3.43Å; K483-C487 HydrophobicContact CB-CB 3.71Å; G484-C487 PolarHBondContact O-SG 3.19Å; V485-C487 PolarHBondContact O-N 3.26Å
488D80.2Confident89Confident84 Ų8439 Ų3945%0.44920%0.2SC..EExtended strand (participates in β ladder)trans-73.3128.8169.8-74.8-65.3000111.5R221R221-D488 VanDerWaalsContact CZ-CB 3.49Å; R221-D488 IonicContact CZ-OD1 2.87Å; R221-D488 IonicContact CZ-OD2 3.29Å; R221-D488 IonicContact NE-OD1 2.87Å; R221-D488 IonicContact NH1-OD1 2.91Å; R221-D488 PolarHBondContact NH1-OD1 2.83Å; R221-D488 VanDerWaalsContact NH1-OD1 3.12Å; R221-D488 IonicContact NH1-OD2 3.22Å; R221-D488 PolarHBondContact NH1-OD2 3.11Å; R221-D488 VanDerWaalsContact NH2-CB 3.25Å; R221-D488 VanDerWaalsContact NH2-CG 3.33Å; R221-D488 IonicContact NH2-OD1 2.88Å; R221-D488 IonicContact NH2-OD2 3.89Å; R221-D488 PolarHBondContact NH2-OD2 3.14Å; R221-D488 VanDerWaalsContact NH2-OD2 3.07Å
489I85.9Confident89.2Confident4 Ų437.7 Ų37.72%0.02119%0.192CC..EExtended strand (participates in β ladder)trans-123.2148.3166.160.2174.3000111.6R221 I222 A224 I227 L476 V519R221-I489 WeakPolarHBondContact CA-O 3.45Å; I222-I489 HydrophobicContact CD1-CD1 4.16Å; I222-I489 HydrophobicContact CD1-CG1 4.14Å; I222-I489 HydrophobicContact CG1-CD1 4.31Å; I222-I489 HydrophobicContact CG1-CG1 3.73Å; I222-I489 PolarHBondContact N-O 3.27Å; I222-I489 PolarHBondContact O-N 2.99Å; A224-I489 HydrophobicContact CB-CD1 4Å; A224-I489 HydrophobicContact CB-CG1 4.21Å; A224-I489 HydrophobicContact CB-CG2 4.21Å; I227-I489 HydrophobicContact CD1-CD1 4.22Å; L476-I489 HydrophobicContact CD2-CB 4.32Å; L476-I489 HydrophobicContact CD2-CG2 4.35Å; I489-V519 HydrophobicContact CD1-CG1 3.9Å
490D88.4Confident89.4Confident16 Ų1637.6 Ų37.69%0.08619%0.193CC..  trans-148.684-179.5-175.5-8.6000108.3T220 R221 P492 K493 T494T220-D490 WeakPolarHBondContact CB-OD1 3.23Å; T220-D490 PolarHBondContact OG1-OD1 3Å; R221-D490 HydrophobicContact CB-CB 4.2Å; D490-P492 WeakPolarHBondContact OD1-CD 3.26Å; D490-K493 HydrophobicContact CB-CB 3.93Å; D490-K493 WeakPolarHBondContact O-CB 3.48Å; D490-K493 PolarHBondContact O-N 3.32Å; D490-K493 VanDerWaalsContact O-N 3.14Å; D490-K493 PolarHBondContact OD1-N 2.93Å; D490-K493 WeakPolarHBondContact OD2-CB 3.49Å; D490-T494 PolarHBondContact O-N 2.91Å; D490-T494 PolarHBondContact O-OG1 3.44Å
491V94.6Very high89.7Confident2 Ų238.5 Ų38.51%0.01220%0.198CC..Hα-helixtrans-54.5-49.8-172.4-176.20000113L476 K493 T494 I495 Y512 I515 Y516L476-V491 HydrophobicContact CD1-CB 4.42Å; L476-V491 HydrophobicContact CD1-CG1 4.15Å; L476-V491 HydrophobicContact CD1-CG2 3.92Å; V491-K493 VanDerWaalsContact C-N 3.3Å; V491-K493 PolarHBondContact O-N 2.88Å; V491-T494 PolarHBondContact O-N 3.2Å; V491-T494 VanDerWaalsContact O-N 3.15Å; V491-I495 HydrophobicContact CG1-CD1 3.89Å; V491-I495 HydrophobicContact CG1-CG1 4.41Å; V491-I495 WeakPolarHBondContact O-CG1 3.28Å; V491-I495 PolarHBondContact O-N 2.93Å; V491-Y512 HydrophobicContact CG1-CE2 4.48Å; V491-I515 HydrophobicContact CG1-CB 4.4Å; V491-I515 HydrophobicContact CG1-CG2 3.68Å; V491-Y516 HydrophobicContact CB-CD2 4.18Å; V491-Y516 HydrophobicContact CB-CE2 3.46Å; V491-Y516 VanDerWaalsContact CB-CE2 3.46Å; V491-Y516 HydrophobicContact CG1-CD2 3.99Å; V491-Y516 HydrophobicContact CG1-CE2 3.59Å; V491-Y516 HydrophobicContact CG2-CD2 4.06Å; V491-Y516 HydrophobicContact CG2-CE1 4.12Å; V491-Y516 HydrophobicContact CG2-CE2 3.66Å; V491-Y516 HydrophobicContact CG2-CG 4.47Å
492P91.1Very high90.1Very high7 Ų734.8 Ų34.85%0.04518%0.184CC..Hα-helixtrans-68.4-27.5179.925.4-31.2000112.5T220 E251 L255 D490 Q496 Y512T220-P492 VanDerWaalsContact CB-CG 3.48Å; T220-P492 HydrophobicContact CG2-CG 3.69Å; E251-P492 HydrophobicContact CG-CG 4.49Å; L255-P492 HydrophobicContact CB-CB 4.34Å; L255-P492 HydrophobicContact CD1-CB 4.34Å; L255-P492 WeakPolarHBondContact CD1-O 3.15Å; L255-P492 HydrophobicContact CD2-CB 4.13Å; D490-P492 WeakPolarHBondContact OD1-CD 3.26Å; P492-Q496 VanDerWaalsContact O-CB 3.28Å; P492-Q496 WeakPolarHBondContact O-CB 3.48Å; P492-Q496 PolarHBondContact O-N 2.89Å; P492-Y512 HydrophobicContact CB-CE2 4.15Å; P492-Y512 WeakPolarHBondContact CB-OH 3.44Å; P492-Y512 WeakPolarHBondContact CD-OH 3.48Å; P492-Y512 WeakPolarHBondContact CG-OH 3.4Å
493K89.3Confident90.4Very high84 Ų8430 Ų3037%0.36516%0.162SC..Hα-helixtrans-66.4-45169.4-170.3-154.6169.5-1540111.3E314 D490 V491 I495 Q496 M497E314-K493 WeakPolarHBondContact OE1-CE 3.45Å; E314-K493 IonicContact OE1-NZ 3.72Å; E314-K493 PolarHBondContact OE1-NZ 3.37Å; E314-K493 IonicContact OE2-NZ 3.67Å; E314-K493 PolarHBondContact OE2-NZ 3.32Å; D490-K493 HydrophobicContact CB-CB 3.93Å; D490-K493 WeakPolarHBondContact O-CB 3.48Å; D490-K493 PolarHBondContact O-N 3.32Å; D490-K493 VanDerWaalsContact O-N 3.14Å; D490-K493 PolarHBondContact OD1-N 2.93Å; D490-K493 WeakPolarHBondContact OD2-CB 3.49Å; V491-K493 VanDerWaalsContact C-N 3.3Å; V491-K493 PolarHBondContact O-N 2.88Å; K493-I495 VanDerWaalsContact C-N 3.33Å; K493-I495 PolarHBondContact O-N 3.45Å; K493-Q496 PolarHBondContact O-N 3Å; K493-M497 WeakPolarHBondContact O-CB 3.32Å; K493-M497 PolarHBondContact O-N 2.6Å
494T95.1Very high90.7Very high21 Ų2125.9 Ų25.913%0.12915%0.145CC..Hα-helixtrans-60.2-42.9176.3-58.30000111.3V472 I475 L476 D490 V491 M497 V498V472-T494 HydrophobicContact CG1-CG2 4.11Å; I475-T494 HydrophobicContact CB-CG2 4.34Å; I475-T494 HydrophobicContact CG2-CG2 3.75Å; L476-T494 HydrophobicContact CD2-CG2 4.35Å; L476-T494 HydrophobicContact CG-CG2 4.34Å; D490-T494 PolarHBondContact O-N 2.91Å; D490-T494 PolarHBondContact O-OG1 3.44Å; V491-T494 PolarHBondContact O-N 3.2Å; V491-T494 VanDerWaalsContact O-N 3.15Å; T494-M497 HydrophobicContact CG2-CE 4.09Å; T494-M497 PolarHBondContact O-N 2.9Å; T494-V498 WeakPolarHBondContact O-CG2 3.41Å; T494-V498 PolarHBondContact O-N 3.48Å
495I96.8Very high91.4Very high0 Ų024.5 Ų24.50%013%0.13CC..Hα-helixtrans-64.7-43.2174.8-61167.5000111L255 V472 V491 K493 M497 V498 R499 V506 Y512 I515L255-I495 HydrophobicContact CD2-CB 3.94Å; L255-I495 HydrophobicContact CD2-CD1 4.2Å; L255-I495 HydrophobicContact CD2-CG2 3.77Å; V472-I495 HydrophobicContact CB-CG1 4.38Å; V472-I495 HydrophobicContact CG1-CD1 4.47Å; V472-I495 HydrophobicContact CG1-CG1 3.71Å; V472-I495 HydrophobicContact CG2-CG1 3.97Å; V491-I495 HydrophobicContact CG1-CD1 3.89Å; V491-I495 HydrophobicContact CG1-CG1 4.41Å; V491-I495 WeakPolarHBondContact O-CG1 3.28Å; V491-I495 PolarHBondContact O-N 2.93Å; K493-I495 VanDerWaalsContact C-N 3.33Å; K493-I495 PolarHBondContact O-N 3.45Å; I495-M497 VanDerWaalsContact C-N 3.27Å; I495-M497 PolarHBondContact O-N 2.91Å; I495-V498 PolarHBondContact O-N 3.13Å; I495-R499 HydrophobicContact CG2-CG 4.09Å; I495-R499 VanDerWaalsContact O-CB 3.29Å; I495-R499 WeakPolarHBondContact O-CB 3.27Å; I495-R499 VanDerWaalsContact O-CG 3.27Å; I495-R499 WeakPolarHBondContact O-CG 3.44Å; I495-R499 PolarHBondContact O-N 2.96Å; I495-V506 HydrophobicContact CD1-CG1 4.45Å; I495-V506 HydrophobicContact CD1-CG2 4.22Å; I495-V506 HydrophobicContact CG1-CG2 4.13Å; I495-V506 HydrophobicContact CG2-CB 4.08Å; I495-V506 HydrophobicContact CG2-CG2 4.04Å; I495-Y512 HydrophobicContact CD1-CD2 3.46Å; I495-Y512 VanDerWaalsContact CD1-CD2 3.46Å; I495-Y512 HydrophobicContact CD1-CE2 3.63Å; I495-I515 HydrophobicContact CD1-CD1 3.83Å; I495-I515 HydrophobicContact CG1-CD1 4.39Å
496Q92.8Very high92.1Very high40 Ų4023.3 Ų23.319%0.18712%0.123CC..Hα-helixtrans-61.2-35177.2-173.767.14.500112.5L255 L262 P492 K493 S500L255-Q496 HydrophobicContact CD1-CB 3.91Å; L262-Q496 VanDerWaalsContact CD1-NE2 3.33Å; P492-Q496 VanDerWaalsContact O-CB 3.28Å; P492-Q496 WeakPolarHBondContact O-CB 3.48Å; P492-Q496 PolarHBondContact O-N 2.89Å; K493-Q496 PolarHBondContact O-N 3Å; Q496-S500 PolarHBondContact O-N 3.3Å; Q496-S500 VanDerWaalsContact O-N 3.11Å
497M94.6Very high93Very high24 Ų2417.3 Ų17.312%0.1189%0.091CC..Hα-helixtrans-70.3-39.2174.8172.8-79.4-66.900112.6M312 E314 I475 K493 T494 I495 S500 Q501M312-M497 VanDerWaalsContact O-SD 3.34Å; E314-M497 HydrophobicContact CG-CG 4.15Å; I475-M497 HydrophobicContact CD1-CE 4.26Å; I475-M497 HydrophobicContact CG2-CE 4.46Å; K493-M497 WeakPolarHBondContact O-CB 3.32Å; K493-M497 PolarHBondContact O-N 2.6Å; T494-M497 HydrophobicContact CG2-CE 4.09Å; T494-M497 PolarHBondContact O-N 2.9Å; I495-M497 VanDerWaalsContact C-N 3.27Å; I495-M497 PolarHBondContact O-N 2.91Å; M497-S500 PolarHBondContact O-N 3.5Å; M497-S500 PolarHBondContact O-OG 2.95Å; M497-Q501 PolarHBondContact O-NE2 2.72Å; M497-Q501 VanDerWaalsContact O-NE2 3.11Å; M497-Q501 PolarHBondContact SD-NE2 3.42Å
498V97.3Very high93.5Very high0 Ų017.6 Ų17.60%09%0.093CC..Hα-helixtrans-71-36.7173.6173.90000110.7I311 I471 V472 I475 T494 I495 S500 Q501 R502 M505I311-V498 HydrophobicContact CG2-CB 4.4Å; I311-V498 HydrophobicContact CG2-CG1 3.97Å; I311-V498 HydrophobicContact CG2-CG2 4.03Å; I471-V498 HydrophobicContact CG2-CG2 4.45Å; V472-V498 HydrophobicContact CG2-CB 4.25Å; V472-V498 HydrophobicContact CG2-CG1 4.46Å; V472-V498 HydrophobicContact CG2-CG2 3.98Å; I475-V498 HydrophobicContact CD1-CG2 3.89Å; T494-V498 WeakPolarHBondContact O-CG2 3.41Å; T494-V498 PolarHBondContact O-N 3.48Å; I495-V498 PolarHBondContact O-N 3.13Å; V498-S500 VanDerWaalsContact C-N 3.29Å; V498-S500 PolarHBondContact O-N 3.05Å; V498-Q501 PolarHBondContact O-N 2.96Å; V498-Q501 VanDerWaalsContact O-N 3.1Å; V498-R502 PolarHBondContact O-N 3.1Å; V498-R502 VanDerWaalsContact O-N 3.15Å; V498-M505 HydrophobicContact CG1-CB 3.78Å; V498-M505 HydrophobicContact CG1-CE 3.39Å; V498-M505 HydrophobicContact CG1-CG 3.87Å; V498-M505 HydrophobicContact CG1-SD 4.49Å
499R96.6Very high94.1Very high6 Ų616.6 Ų16.62%0.0239%0.085CC..Hα-helixtrans-66-22.1174.9-77.9179.3175.3-166.1-3.1114.4E259 L262 F286 I495 Q501 R502 M505 V506E259-R499 IonicContact OE1-NH1 3.33Å; L262-R499 HydrophobicContact CD1-CB 3.69Å; F286-R499 WeakPolarHBondContact CE2-O 3.43Å; I495-R499 HydrophobicContact CG2-CG 4.09Å; I495-R499 VanDerWaalsContact O-CB 3.29Å; I495-R499 WeakPolarHBondContact O-CB 3.27Å; I495-R499 VanDerWaalsContact O-CG 3.27Å; I495-R499 WeakPolarHBondContact O-CG 3.44Å; I495-R499 PolarHBondContact O-N 2.96Å; R499-Q501 PolarHBondContact O-N 2.92Å; R499-R502 CarbonylContact C-O 3.57Å; R499-R502 WeakPolarHBondContact CA-O 3.46Å; R499-M505 HydrophobicContact CG-CB 3.98Å; R499-M505 WeakPolarHBondContact CG-O 3.23Å; R499-M505 PolarHBondContact NE-O 2.96Å; R499-V506 PolarHBondContact NH2-O 3.02Å
500S95.8Very high94.4Very high31 Ų3118.1 Ų18.122%0.21710%0.098CC..THydrogen-bonded Turntrans-77-11.6173.671.90000112.9Y264 H288 Q496 M497 V498Y264-S500 WeakPolarHBondContact CE2-O 2.78Å; H288-S500 PolarHBondContact CE1-O 2.88Å; H288-S500 PolarHBondContact NE2-O 2.91Å; Q496-S500 PolarHBondContact O-N 3.3Å; Q496-S500 VanDerWaalsContact O-N 3.11Å; M497-S500 PolarHBondContact O-N 3.5Å; M497-S500 PolarHBondContact O-OG 2.95Å; V498-S500 VanDerWaalsContact C-N 3.29Å; V498-S500 PolarHBondContact O-N 3.05Å
501Q97.9Very high94.8Very high21 Ų2117.4 Ų17.410%0.0989%0.094CC..THydrogen-bonded Turntrans-108.3-23.9-177.8-63.217584.800112.7S289 N309 I311 M312 M497 V498 R499S289-Q501 PolarHBondContact OG-O 2.79Å; N309-Q501 WeakPolarHBondContact CB-O 3.45Å; N309-Q501 PolarHBondContact ND2-O 3.31Å; I311-Q501 HydrophobicContact CD1-CB 3.67Å; M312-Q501 PolarHBondContact O-NE2 2.84Å; M312-Q501 PolarHBondContact O-OE1 2.88Å; M497-Q501 PolarHBondContact O-NE2 2.72Å; M497-Q501 VanDerWaalsContact O-NE2 3.11Å; M497-Q501 PolarHBondContact SD-NE2 3.42Å; V498-Q501 PolarHBondContact O-N 2.96Å; V498-Q501 VanDerWaalsContact O-N 3.1Å; R499-Q501 PolarHBondContact O-N 2.92Å
502R98.3Very high94.9Very high1 Ų117.3 Ų17.30%0.0049%0.094CC..SBendtrans-148.5138.7164.7-175.7168.2174.486.1-2.8111.1F286 N307 N309 I311 A462 G463 I464 V498 R499 M505F286-R502 VanDerWaalsContact CE2-C 3.47Å; N307-R502 PolarHBondContact OD1-NH1 3.22Å; N307-R502 PolarHBondContact OD1-NH2 3.47Å; N309-R502 HydrophobicContact CB-CB 4.03Å; N309-R502 HydrophobicContact CB-CG 4.41Å; N309-R502 WeakPolarHBondContact OD1-CD 3.35Å; N309-R502 WeakPolarHBondContact OD1-CG 3.31Å; N309-R502 PolarHBondContact OD1-NH1 3.11Å; I311-R502 HydrophobicContact CD1-CB 3.93Å; A462-R502 PolarHBondContact O-NH2 3.45Å; G463-R502 PolarHBondContact O-NE 3.32Å; I464-R502 HydrophobicContact CG2-CG 4.32Å; V498-R502 PolarHBondContact O-N 3.1Å; V498-R502 VanDerWaalsContact O-N 3.15Å; R499-R502 CarbonylContact C-O 3.57Å; R499-R502 WeakPolarHBondContact CA-O 3.46Å; R502-M505 HydrophobicContact CB-CG 3.83Å; R502-M505 HydrophobicContact CB-SD 4.07Å; R502-M505 HydrophobicContact CG-CG 4.3Å; R502-M505 HydrophobicContact CG-SD 4.17Å; R502-M505 WeakPolarHBondContact O-CG 3.13Å
503S93.6Very high95.1Very high8 Ų821.5 Ų21.56%0.05611%0.109CC..THydrogen-bonded Turntrans-62.7145-177.7-165.50000112.2E76 F286 I464 M505E76-S503 VanDerWaalsContact CD-OG 3.23Å; E76-S503 WeakPolarHBondContact OE1-CB 3.27Å; E76-S503 PolarHBondContact OE1-OG 3.44Å; F286-S503 VanDerWaalsContact CE2-N 3.26Å; I464-S503 WeakPolarHBondContact CG2-O 3.18Å; S503-M505 VanDerWaalsContact C-N 3.27Å; S503-M505 PolarHBondContact O-N 3.05Å
504G92.4Very high95.5Very high2 Ų217.6 Ų17.62%0.0219%0.092CC..THydrogen-bonded Turntrans65.216.5171.600000116.9A72 V506 Q507A72-G504 WeakPolarHBondContact O-CA 3.49Å; G504-V506 PolarHBondContact O-N 2.75Å; G504-Q507 PolarHBondContact O-NE2 2.82Å
505M97.9Very high95.7Very high0 Ų016.6 Ų16.60%09%0.086CC..  trans-61.3126179.2-66.3-74.7-86.200111.1I311 A330 I464 T467 I471 V498 R499 R502 S503I311-M505 HydrophobicContact CD1-CE 4.15Å; I311-M505 HydrophobicContact CG1-CE 4.21Å; A330-M505 HydrophobicContact CB-CE 3.67Å; A330-M505 HydrophobicContact CB-SD 4.25Å; I464-M505 HydrophobicContact CB-SD 4.46Å; I464-M505 WeakPolarHBondContact O-CA 3.4Å; T467-M505 HydrophobicContact CG2-CE 4.39Å; I471-M505 HydrophobicContact CD1-CE 4.04Å; V498-M505 HydrophobicContact CG1-CB 3.78Å; V498-M505 HydrophobicContact CG1-CE 3.39Å; V498-M505 HydrophobicContact CG1-CG 3.87Å; V498-M505 HydrophobicContact CG1-SD 4.49Å; R499-M505 HydrophobicContact CG-CB 3.98Å; R499-M505 WeakPolarHBondContact CG-O 3.23Å; R499-M505 PolarHBondContact NE-O 2.96Å; R502-M505 HydrophobicContact CB-CG 3.83Å; R502-M505 HydrophobicContact CB-SD 4.07Å; R502-M505 HydrophobicContact CG-CG 4.3Å; R502-M505 HydrophobicContact CG-SD 4.17Å; R502-M505 WeakPolarHBondContact O-CG 3.13Å; S503-M505 VanDerWaalsContact C-N 3.27Å; S503-M505 PolarHBondContact O-N 3.05Å
506V97.6Very high95.7Very high0 Ų016.7 Ų16.70%09%0.086CC..SBendtrans63.2113.9-162.3-170.80000111.6I464 V472 I495 R499 G504 Q511 I515I464-V506 PolarHBondContact O-N 3.33Å; V472-V506 HydrophobicContact CG2-CG2 4.27Å; I495-V506 HydrophobicContact CD1-CG1 4.45Å; I495-V506 HydrophobicContact CD1-CG2 4.22Å; I495-V506 HydrophobicContact CG1-CG2 4.13Å; I495-V506 HydrophobicContact CG2-CB 4.08Å; I495-V506 HydrophobicContact CG2-CG2 4.04Å; R499-V506 PolarHBondContact NH2-O 3.02Å; G504-V506 PolarHBondContact O-N 2.75Å; V506-Q511 HydrophobicContact CG1-CB 3.84Å; V506-I515 HydrophobicContact CG1-CD1 3.98Å; V506-I515 HydrophobicContact CG2-CD1 3.75Å
507Q93.6Very high95.9Very high1 Ų117.9 Ų17.91%0.0059%0.093CC..  trans-99.8-28.8-166.4-82.7-69.9-70.100115.8N58 A72 I464 G504N58-Q507 PolarHBondContact ND2-O 3.35Å; N58-Q507 VanDerWaalsContact ND2-O 3.12Å; N58-Q507 PolarHBondContact ND2-OE1 2.89Å; N58-Q507 VanDerWaalsContact ND2-OE1 3.13Å; A72-Q507 PolarHBondContact O-NE2 2.73Å; I464-Q507 HydrophobicContact CD1-CG 4.2Å; I464-Q507 HydrophobicContact CG1-CG 4Å; G504-Q507 PolarHBondContact O-NE2 2.82Å
508T93.1Very high96.1Very high18 Ų1816.8 Ų16.811%0.119%0.087CC..SBendtrans-137.9157.3-171.156.10000112.8N58 A510 Q511 Y512N58-T508 HydrophobicContact CB-CG2 4.34Å; N58-T508 WeakPolarHBondContact OD1-CG2 3.3Å; T508-A510 PolarHBondContact O-N 3.21Å; T508-Q511 WeakPolarHBondContact O-CA 3.26Å; T508-Q511 WeakPolarHBondContact O-CB 3.23Å; T508-Q511 PolarHBondContact O-N 2.69Å; T508-Q511 PolarHBondContact OG1-N 3.37Å; T508-Y512 PolarHBondContact O-N 2.88Å
509E92.6Very high96.1Very high62 Ų6216.8 Ų16.829%0.299%0.087SC..Hα-helixtrans-57.4-36.7173.2171.9-88.3132.700111.8W249 F252 Q511 Y512 R513W249-E509 HydrophobicContact CB-CG 4.31Å; F252-E509 HydrophobicContact CB-CB 4.42Å; F252-E509 HydrophobicContact CD1-CB 3.82Å; F252-E509 HydrophobicContact CE1-CB 4.37Å; F252-E509 HydrophobicContact CG-CB 4.19Å; E509-Q511 VanDerWaalsContact C-N 3.33Å; E509-Q511 PolarHBondContact O-N 3.26Å; E509-Y512 WeakPolarHBondContact O-CB 3.31Å; E509-Y512 PolarHBondContact O-N 2.93Å; E509-Y512 VanDerWaalsContact O-N 3.13Å; E509-R513 WeakPolarHBondContact O-CB 3.11Å; E509-R513 PolarHBondContact O-N 2.77Å
510A93.9Very high96.1Very high36 Ų3618.1 Ų18.130%0.2989%0.093SC..Hα-helixtrans-59.4-39.3172.200000113.2V429 T508 F514V429-A510 HydrophobicContact CG2-CB 4.42Å; T508-A510 PolarHBondContact O-N 3.21Å; A510-F514 VanDerWaalsContact O-CB 3.31Å; A510-F514 WeakPolarHBondContact O-CB 3.43Å; A510-F514 PolarHBondContact O-N 2.87Å
511Q96.8Very high96.1Very high1 Ų119.4 Ų19.41%0.00510%0.096CC..Hα-helixtrans-70-39.9173-73.4173.4-4.100111.8G60 V429 T469 V506 T508 E509 F514 I515G60-Q511 PolarHBondContact O-NE2 2.88Å; V429-Q511 HydrophobicContact CG1-CB 4.34Å; V429-Q511 HydrophobicContact CG1-CG 3.7Å; T469-Q511 HydrophobicContact CG2-CB 4.29Å; T469-Q511 PolarHBondContact OG1-OE1 2.85Å; V506-Q511 HydrophobicContact CG1-CB 3.84Å; T508-Q511 WeakPolarHBondContact O-CA 3.26Å; T508-Q511 WeakPolarHBondContact O-CB 3.23Å; T508-Q511 PolarHBondContact O-N 2.69Å; T508-Q511 PolarHBondContact OG1-N 3.37Å; E509-Q511 VanDerWaalsContact C-N 3.33Å; E509-Q511 PolarHBondContact O-N 3.26Å; Q511-F514 PolarHBondContact O-N 3.15Å; Q511-I515 WeakPolarHBondContact O-CG1 3.22Å; Q511-I515 PolarHBondContact O-N 2.92Å; Q511-I515 VanDerWaalsContact O-N 3.11Å
512Y96.8Very high96.1Very high0 Ų019.8 Ų19.80%010%0.097CC..Hα-helixtrans-58.9-49.7175.3-174.2-95.4000111.9F248 E251 F252 L255 V491 P492 I495 T508 E509 F514 I515 Y516F248-Y512 HydrophobicContact CD1-CD1 4.08Å; F248-Y512 HydrophobicContact CD1-CE1 4.17Å; E251-Y512 HydrophobicContact CB-CE1 4.33Å; E251-Y512 HydrophobicContact CG-CE1 4.48Å; E251-Y512 WeakPolarHBondContact CG-OH 3.22Å; E251-Y512 WeakPolarHBondContact OE1-CE1 3.4Å; E251-Y512 PolarHBondContact OE1-OH 2.83Å; F252-Y512 HydrophobicContact CB-CD1 4.14Å; F252-Y512 HydrophobicContact CB-CG 4.18Å; F252-Y512 HydrophobicContact CD2-CD1 4.43Å; F252-Y512 AromaticContact CD2-CD2 3.61Å; F252-Y512 HydrophobicContact CD2-CD2 3.61Å; F252-Y512 HydrophobicContact CD2-CE2 4.39Å; F252-Y512 AromaticContact CD2-CG 3.63Å; F252-Y512 HydrophobicContact CD2-CG 3.63Å; F252-Y512 HydrophobicContact CE2-CD2 4.33Å; F252-Y512 HydrophobicContact CE2-CG 4.47Å; F252-Y512 HydrophobicContact CG-CG 4.27Å; L255-Y512 HydrophobicContact CD2-CD2 4.32Å; L255-Y512 HydrophobicContact CD2-CE2 4.01Å; V491-Y512 HydrophobicContact CG1-CE2 4.48Å; P492-Y512 HydrophobicContact CB-CE2 4.15Å; P492-Y512 WeakPolarHBondContact CB-OH 3.44Å; P492-Y512 WeakPolarHBondContact CD-OH 3.48Å; P492-Y512 WeakPolarHBondContact CG-OH 3.4Å; I495-Y512 HydrophobicContact CD1-CD2 3.46Å; I495-Y512 VanDerWaalsContact CD1-CD2 3.46Å; I495-Y512 HydrophobicContact CD1-CE2 3.63Å; T508-Y512 PolarHBondContact O-N 2.88Å; E509-Y512 WeakPolarHBondContact O-CB 3.31Å; E509-Y512 PolarHBondContact O-N 2.93Å; E509-Y512 VanDerWaalsContact O-N 3.13Å; Y512-F514 PolarHBondContact O-N 2.77Å; Y512-I515 WeakPolarHBondContact O-CB 3.12Å; Y512-I515 PolarHBondContact O-N 2.96Å; Y512-Y516 HydrophobicContact CD1-CD2 4.48Å; Y512-Y516 HydrophobicContact CD1-CE2 4.26Å; Y512-Y516 HydrophobicContact CE1-CD2 4.19Å; Y512-Y516 AromaticContact CE1-CE2 3.55Å; Y512-Y516 HydrophobicContact CE1-CE2 3.55Å; Y512-Y516 HydrophobicContact CE2-CE2 4.35Å; Y512-Y516 AromaticContact CZ-CE2 3.61Å; Y512-Y516 PolarHBondContact O-N 3.04Å; Y512-Y516 PolarHBondContact OH-OH 3.09Å
513R95.5Very high95.8Very high95 Ų9519.9 Ų19.936%0.35810%0.097SC..Hα-helixtrans-61.2-40.5174.9-177.3173.8-174153.57.8112.5S235 F248 E509 I515 Y516 M517S235-R513 PolarHBondContact OG-NH2 2.76Å; F248-R513 HydrophobicContact CD1-CB 4.14Å; F248-R513 HydrophobicContact CD1-CG 4.28Å; F248-R513 HydrophobicContact CD2-CG 3.94Å; F248-R513 HydrophobicContact CE1-CB 4.32Å; F248-R513 HydrophobicContact CE1-CG 4.18Å; F248-R513 HydrophobicContact CE2-CG 3.82Å; F248-R513 HydrophobicContact CG-CB 4.25Å; F248-R513 HydrophobicContact CG-CG 4.18Å; F248-R513 HydrophobicContact CZ-CG 3.95Å; E509-R513 WeakPolarHBondContact O-CB 3.11Å; E509-R513 PolarHBondContact O-N 2.77Å; R513-I515 VanDerWaalsContact C-N 3.3Å; R513-I515 PolarHBondContact O-N 2.84Å; R513-Y516 PolarHBondContact O-N 2.77Å; R513-M517 HydrophobicContact CG-SD 4.1Å; R513-M517 WeakPolarHBondContact O-CG 3.24Å; R513-M517 PolarHBondContact O-N 2.92Å
514F97.6Very high95.7Very high3 Ų322.8 Ų22.81%0.01311%0.11CC..Hα-helixtrans-62.7-33.9177.3-174.3-98.6000112.8W424 V429 P430 P433 V436 T469 I473 A510 Q511 Y512 M517 A518W424-F514 HydrophobicContact CH2-CE1 4.32Å; V429-F514 HydrophobicContact CB-CB 4.03Å; V429-F514 HydrophobicContact CB-CD2 3.91Å; V429-F514 HydrophobicContact CB-CG 3.95Å; V429-F514 HydrophobicContact CG1-CB 3.83Å; V429-F514 HydrophobicContact CG1-CG 4.11Å; V429-F514 HydrophobicContact CG2-CB 4.18Å; V429-F514 HydrophobicContact CG2-CD2 4.14Å; V429-F514 HydrophobicContact CG2-CG 4.39Å; P430-F514 HydrophobicContact CB-CE2 3.88Å; P430-F514 HydrophobicContact CB-CZ 4.05Å; P430-F514 HydrophobicContact CG-CE2 4.17Å; P430-F514 HydrophobicContact CG-CZ 3.93Å; P430-F514 WeakPolarHBondContact O-CE2 3.15Å; P433-F514 HydrophobicContact CB-CE2 4.14Å; P433-F514 HydrophobicContact CB-CZ 4.16Å; V436-F514 HydrophobicContact CB-CE1 4.43Å; V436-F514 HydrophobicContact CB-CZ 4.23Å; V436-F514 HydrophobicContact CG1-CE1 4.39Å; V436-F514 HydrophobicContact CG2-CE1 4.22Å; V436-F514 HydrophobicContact CG2-CZ 3.86Å; T469-F514 HydrophobicContact CG2-CD1 4.09Å; I473-F514 HydrophobicContact CD1-CD1 3.96Å; I473-F514 HydrophobicContact CD1-CE1 3.93Å; A510-F514 VanDerWaalsContact O-CB 3.31Å; A510-F514 WeakPolarHBondContact O-CB 3.43Å; A510-F514 PolarHBondContact O-N 2.87Å; Q511-F514 PolarHBondContact O-N 3.15Å; Y512-F514 PolarHBondContact O-N 2.77Å; F514-M517 PolarHBondContact O-N 3.12Å; F514-A518 WeakPolarHBondContact O-CB 3.11Å; F514-A518 PolarHBondContact O-N 3.5Å
515I98.5Very high95.7Very high0 Ų023.7 Ų23.70%012%0.115CC..Hα-helixtrans-61.3-46.3173.7-63.9160.3000110.6T469 V472 I473 L476 V491 I495 V506 Q511 Y512 R513 A518 V519T469-I515 HydrophobicContact CG2-CD1 4.33Å; T469-I515 HydrophobicContact CG2-CG1 3.86Å; V472-I515 HydrophobicContact CB-CD1 4.25Å; V472-I515 HydrophobicContact CG1-CD1 4.01Å; V472-I515 HydrophobicContact CG1-CG2 3.92Å; I473-I515 HydrophobicContact CD1-CG1 4.33Å; I473-I515 HydrophobicContact CG1-CB 4.15Å; I473-I515 HydrophobicContact CG1-CG1 3.92Å; I473-I515 HydrophobicContact CG1-CG2 4.05Å; L476-I515 HydrophobicContact CD1-CG2 3.7Å; V491-I515 HydrophobicContact CG1-CB 4.4Å; V491-I515 HydrophobicContact CG1-CG2 3.68Å; I495-I515 HydrophobicContact CD1-CD1 3.83Å; I495-I515 HydrophobicContact CG1-CD1 4.39Å; V506-I515 HydrophobicContact CG1-CD1 3.98Å; V506-I515 HydrophobicContact CG2-CD1 3.75Å; Q511-I515 WeakPolarHBondContact O-CG1 3.22Å; Q511-I515 PolarHBondContact O-N 2.92Å; Q511-I515 VanDerWaalsContact O-N 3.11Å; Y512-I515 WeakPolarHBondContact O-CB 3.12Å; Y512-I515 PolarHBondContact O-N 2.96Å; R513-I515 VanDerWaalsContact C-N 3.3Å; R513-I515 PolarHBondContact O-N 2.84Å; I515-A518 PolarHBondContact O-N 2.79Å; I515-V519 WeakPolarHBondContact O-CG2 3.36Å; I515-V519 PolarHBondContact O-N 2.85Å
516Y97.3Very high95.2Very high2 Ų225.6 Ų25.61%0.00813%0.125CC..Hα-helixtrans-62.6-44.9176.5-84.7-105.9000112.2I227 R230 V231 L234 F248 E251 V491 Y512 R513 A518 V519 Q520I227-Y516 HydrophobicContact CD1-CD1 3.72Å; I227-Y516 HydrophobicContact CD1-CE1 4.3Å; R230-Y516 HydrophobicContact CG-CE1 4.08Å; V231-Y516 HydrophobicContact CG2-CD1 4.04Å; V231-Y516 HydrophobicContact CG2-CG 4.47Å; L234-Y516 HydrophobicContact CD1-CD1 4.05Å; L234-Y516 HydrophobicContact CD1-CE1 3.6Å; F248-Y516 HydrophobicContact CE1-CD1 4.09Å; F248-Y516 AromaticContact CE1-CD2 3.89Å; F248-Y516 HydrophobicContact CE1-CD2 3.89Å; F248-Y516 HydrophobicContact CE1-CE2 4.44Å; F248-Y516 AromaticContact CE1-CG 3.68Å; F248-Y516 HydrophobicContact CE1-CG 3.68Å; F248-Y516 HydrophobicContact CZ-CG 4.3Å; E251-Y516 PolarHBondContact OE1-OH 3.16Å; E251-Y516 PolarHBondContact OE2-OH 3.46Å; V491-Y516 HydrophobicContact CB-CD2 4.18Å; V491-Y516 HydrophobicContact CB-CE2 3.46Å; V491-Y516 VanDerWaalsContact CB-CE2 3.46Å; V491-Y516 HydrophobicContact CG1-CD2 3.99Å; V491-Y516 HydrophobicContact CG1-CE2 3.59Å; V491-Y516 HydrophobicContact CG2-CD2 4.06Å; V491-Y516 HydrophobicContact CG2-CE1 4.12Å; V491-Y516 HydrophobicContact CG2-CE2 3.66Å; V491-Y516 HydrophobicContact CG2-CG 4.47Å; Y512-Y516 HydrophobicContact CD1-CD2 4.48Å; Y512-Y516 HydrophobicContact CD1-CE2 4.26Å; Y512-Y516 HydrophobicContact CE1-CD2 4.19Å; Y512-Y516 AromaticContact CE1-CE2 3.55Å; Y512-Y516 HydrophobicContact CE1-CE2 3.55Å; Y512-Y516 HydrophobicContact CE2-CE2 4.35Å; Y512-Y516 AromaticContact CZ-CE2 3.61Å; Y512-Y516 PolarHBondContact O-N 3.04Å; Y512-Y516 PolarHBondContact OH-OH 3.09Å; R513-Y516 PolarHBondContact O-N 2.77Å; Y516-A518 VanDerWaalsContact C-N 3.34Å; Y516-A518 PolarHBondContact O-N 2.92Å; Y516-V519 PolarHBondContact O-N 3.09Å; Y516-Q520 WeakPolarHBondContact O-CB 3.28Å; Y516-Q520 PolarHBondContact O-N 2.9Å
517M97.1Very high94.7Very high65 Ų6529.1 Ų29.132%0.3214%0.142SC..Hα-helixtrans-62.7-38.8177.4-69.2173.167.500112.4R513 F514 H521R513-M517 HydrophobicContact CG-SD 4.1Å; R513-M517 WeakPolarHBondContact O-CG 3.24Å; R513-M517 PolarHBondContact O-N 2.92Å; F514-M517 PolarHBondContact O-N 3.12Å; M517-H521 WeakPolarHBondContact O-CB 3.42Å; M517-H521 PolarHBondContact O-N 3.46Å
518A98.1Very high94.4Very high0 Ų034.8 Ų34.80%016%0.163CC..Hα-helixtrans-67.3-43.9176.500000112.1P433 L437 I473 F514 I515 Y516 H521 Y522P433-A518 HydrophobicContact CB-CB 3.88Å; L437-A518 HydrophobicContact CD2-CB 4.17Å; I473-A518 HydrophobicContact CD1-CB 3.78Å; I473-A518 HydrophobicContact CG1-CB 4.09Å; I473-A518 HydrophobicContact CG2-CB 4.01Å; F514-A518 WeakPolarHBondContact O-CB 3.11Å; F514-A518 PolarHBondContact O-N 3.5Å; I515-A518 PolarHBondContact O-N 2.79Å; Y516-A518 VanDerWaalsContact C-N 3.34Å; Y516-A518 PolarHBondContact O-N 2.92Å; A518-H521 PolarHBondContact O-N 3.22Å; A518-Y522 WeakPolarHBondContact O-CB 3.35Å; A518-Y522 PolarHBondContact O-N 2.84Å
519V97.3Very high94.1Very high0 Ų040.2 Ų40.20%018%0.181CC..Hα-helixtrans-65.4-39.6176.1172.10000111.4I227 L476 I480 I489 I515 Y516 I523I227-V519 HydrophobicContact CD1-CG1 4.39Å; I227-V519 HydrophobicContact CG1-CG1 4.26Å; L476-V519 HydrophobicContact CB-CG2 3.86Å; L476-V519 HydrophobicContact CD1-CG2 3.97Å; I480-V519 HydrophobicContact CD1-CG1 3.87Å; I489-V519 HydrophobicContact CD1-CG1 3.9Å; I515-V519 WeakPolarHBondContact O-CG2 3.36Å; I515-V519 PolarHBondContact O-N 2.85Å; Y516-V519 PolarHBondContact O-N 3.09Å; V519-I523 HydrophobicContact CG1-CD1 3.78Å; V519-I523 WeakPolarHBondContact O-CD1 3.21Å; V519-I523 WeakPolarHBondContact O-CG1 3.41Å; V519-I523 PolarHBondContact O-N 2.88Å; V519-I523 VanDerWaalsContact O-N 3.09Å
520Q96Very high93.6Very high34 Ų3441.7 Ų41.716%0.15919%0.19CC..Hα-helixtrans-58.1-57.6172.6178.2-174.3-15.900111.6I227 V231 Y516 Y522 I523 E524I227-Q520 HydrophobicContact CG1-CB 3.98Å; I227-Q520 HydrophobicContact CG2-CB 4.23Å; I227-Q520 HydrophobicContact CG2-CG 4.41Å; V231-Q520 VanDerWaalsContact CG1-OE1 3.29Å; Y516-Q520 WeakPolarHBondContact O-CB 3.28Å; Y516-Q520 PolarHBondContact O-N 2.9Å; Q520-Y522 PolarHBondContact O-N 2.93Å; Q520-I523 PolarHBondContact O-N 2.82Å; Q520-E524 HydrophobicContact CG-CG 4.37Å; Q520-E524 VanDerWaalsContact CG-OE1 3.25Å; Q520-E524 WeakPolarHBondContact CG-OE1 3.22Å; Q520-E524 PolarHBondContact NE2-OE1 2.87Å; Q520-E524 WeakPolarHBondContact O-CG 3.29Å; Q520-E524 PolarHBondContact O-N 3.4Å
521H96.8Very high93.2Very high58 Ų5845 Ų4527%0.26920%0.199SC..Hα-helixtrans-62.7-31.7-176.8-177.2-87.4000112.7P433 L437 M517 A518 T525P433-H521 HydrophobicContact CG-CB 3.69Å; L437-H521 HydrophobicContact CD1-CB 3.97Å; L437-H521 VanDerWaalsContact CD1-ND1 3.28Å; L437-H521 WeakPolarHBondContact CD1-ND1 3.35Å; M517-H521 WeakPolarHBondContact O-CB 3.42Å; M517-H521 PolarHBondContact O-N 3.46Å; A518-H521 PolarHBondContact O-N 3.22Å; H521-T525 VanDerWaalsContact O-CB 3.26Å; H521-T525 WeakPolarHBondContact O-CB 3.46Å; H521-T525 PolarHBondContact O-N 2.85Å; H521-T525 VanDerWaalsContact O-N 3.07Å; H521-T525 PolarHBondContact O-OG1 2.83Å
522Y96.7Very high92.7Very high30 Ų3049.7 Ų49.712%0.11822%0.222CC..Hα-helixtrans-62.4-48.8171-175.4-94.2000111.7L437 I477 I480 R481 A518 Q520 T525 L526L437-Y522 HydrophobicContact CD2-CD2 4.37Å; I477-Y522 HydrophobicContact CD1-CD2 3.86Å; I477-Y522 HydrophobicContact CD1-CE2 4.43Å; I477-Y522 HydrophobicContact CD1-CG 4.01Å; I477-Y522 HydrophobicContact CG1-CD1 4.13Å; I477-Y522 HydrophobicContact CG1-CD2 4.15Å; I477-Y522 HydrophobicContact CG1-CG 3.94Å; I477-Y522 HydrophobicContact CG2-CD1 4.45Å; I477-Y522 HydrophobicContact CG2-CD2 4.2Å; I477-Y522 HydrophobicContact CG2-CE1 4.04Å; I477-Y522 HydrophobicContact CG2-CE2 3.76Å; I480-Y522 HydrophobicContact CG2-CD1 4.4Å; I480-Y522 HydrophobicContact CG2-CE1 4.09Å; R481-Y522 WeakPolarHBondContact CG-OH 3.3Å; A518-Y522 WeakPolarHBondContact O-CB 3.35Å; A518-Y522 PolarHBondContact O-N 2.84Å; Q520-Y522 PolarHBondContact O-N 2.93Å; Y522-T525 PolarHBondContact O-N 3.48Å; Y522-L526 HydrophobicContact CE1-CD2 4.16Å; Y522-L526 WeakPolarHBondContact O-CB 3.36Å; Y522-L526 PolarHBondContact O-N 3.28Å
523I92.1Very high92.1Very high2 Ų254.8 Ų54.81%0.0125%0.245CC..Hα-helixtrans-66.9-43.3-179-71.6163.3000111.5A224 I227 I480 V485 V519 Q520 T525 L526 Q527A224-I523 HydrophobicContact CB-CD1 3.87Å; A224-I523 WeakPolarHBondContact O-CD1 3.47Å; I227-I523 HydrophobicContact CB-CD1 4.36Å; I227-I523 HydrophobicContact CG2-CB 4.32Å; I227-I523 HydrophobicContact CG2-CD1 3.8Å; I227-I523 HydrophobicContact CG2-CG2 4.34Å; I480-I523 HydrophobicContact CD1-CD1 3.73Å; I480-I523 HydrophobicContact CD1-CG1 4.02Å; I480-I523 HydrophobicContact CG1-CD1 4.49Å; I480-I523 HydrophobicContact CG2-CG1 4.3Å; V485-I523 HydrophobicContact CG1-CG2 4.32Å; V519-I523 HydrophobicContact CG1-CD1 3.78Å; V519-I523 WeakPolarHBondContact O-CD1 3.21Å; V519-I523 WeakPolarHBondContact O-CG1 3.41Å; V519-I523 PolarHBondContact O-N 2.88Å; V519-I523 VanDerWaalsContact O-N 3.09Å; Q520-I523 PolarHBondContact O-N 2.82Å; I523-T525 VanDerWaalsContact C-N 3.3Å; I523-T525 PolarHBondContact O-N 2.8Å; I523-L526 PolarHBondContact O-N 2.69Å; I523-Q527 HydrophobicContact CG2-CG 4.33Å; I523-Q527 WeakPolarHBondContact O-CB 3.24Å; I523-Q527 VanDerWaalsContact O-CG 3.31Å; I523-Q527 WeakPolarHBondContact O-CG 3.3Å; I523-Q527 PolarHBondContact O-N 2.88Å
524E92.8Very high91.4Very high69 Ų6955.4 Ų55.432%0.32226%0.255SS..Hα-helixtrans-57.9-42.5173.6-70.6171.5179.600111.7Q520 R528Q520-E524 HydrophobicContact CG-CG 4.37Å; Q520-E524 VanDerWaalsContact CG-OE1 3.25Å; Q520-E524 WeakPolarHBondContact CG-OE1 3.22Å; Q520-E524 PolarHBondContact NE2-OE1 2.87Å; Q520-E524 WeakPolarHBondContact O-CG 3.29Å; Q520-E524 PolarHBondContact O-N 3.4Å; E524-R528 WeakPolarHBondContact O-CB 3.23Å; E524-R528 PolarHBondContact O-N 2.89Å
525T91.9Very high90.7Very high22 Ų2260.3 Ų60.314%0.13528%0.276CS..Hα-helixtrans-69.1-37.7177.4-66.80000112.1H521 Y522 I523 R528 R529H521-T525 VanDerWaalsContact O-CB 3.26Å; H521-T525 WeakPolarHBondContact O-CB 3.46Å; H521-T525 PolarHBondContact O-N 2.85Å; H521-T525 VanDerWaalsContact O-N 3.07Å; H521-T525 PolarHBondContact O-OG1 2.83Å; Y522-T525 PolarHBondContact O-N 3.48Å; I523-T525 VanDerWaalsContact C-N 3.3Å; I523-T525 PolarHBondContact O-N 2.8Å; T525-R528 PolarHBondContact OG1-NH2 3.14Å; T525-R529 WeakPolarHBondContact O-CG 3.36Å; T525-R529 PolarHBondContact O-N 3.41Å; T525-R529 VanDerWaalsContact O-N 3.11Å
526L88.2Confident89.9Confident40 Ų4064 Ų6421%0.20930%0.302CS..Hα-helixtrans-67.2-46175.6179.858.7000111.6I480 V485 Y522 I523 R528 R529 I530I480-L526 HydrophobicContact CG2-CD2 4Å; V485-L526 HydrophobicContact CG1-CD2 3.89Å; V485-L526 HydrophobicContact CG1-CG 4.45Å; Y522-L526 HydrophobicContact CE1-CD2 4.16Å; Y522-L526 WeakPolarHBondContact O-CB 3.36Å; Y522-L526 PolarHBondContact O-N 3.28Å; I523-L526 PolarHBondContact O-N 2.69Å; L526-R528 PolarHBondContact O-N 3.37Å; L526-R529 PolarHBondContact O-N 2.77Å; L526-I530 HydrophobicContact CD1-CD1 4.11Å; L526-I530 HydrophobicContact CD1-CG1 4.48Å; L526-I530 HydrophobicContact CG-CD1 3.99Å; L526-I530 VanDerWaalsContact O-CG1 3.31Å; L526-I530 WeakPolarHBondContact O-CG1 3.4Å; L526-I530 PolarHBondContact O-N 2.8Å
527Q85.3Confident88.9Confident74 Ų7469.5 Ų69.535%0.34633%0.326SS..Hα-helixtrans-59-46175.2-73.9171.4-19.500111.4I523 R529 I530 E531I523-Q527 HydrophobicContact CG2-CG 4.33Å; I523-Q527 WeakPolarHBondContact O-CB 3.24Å; I523-Q527 VanDerWaalsContact O-CG 3.31Å; I523-Q527 WeakPolarHBondContact O-CG 3.3Å; I523-Q527 PolarHBondContact O-N 2.88Å; Q527-R529 PolarHBondContact O-N 3.36Å; Q527-I530 PolarHBondContact O-N 2.73Å; Q527-E531 PolarHBondContact O-N 2.79Å
528R88.4Confident87.9Confident120 Ų12070.3 Ų70.345%0.45333%0.331SS..Hα-helixtrans-57.8-45.7175.5-179172.164-111.7-4.1112.4E524 T525 L526 I530 E531 E532E524-R528 WeakPolarHBondContact O-CB 3.23Å; E524-R528 PolarHBondContact O-N 2.89Å; T525-R528 PolarHBondContact OG1-NH2 3.14Å; L526-R528 PolarHBondContact O-N 3.37Å; R528-I530 PolarHBondContact O-N 3.28Å; R528-E531 PolarHBondContact O-N 2.78Å; R528-E532 VanDerWaalsContact CG-OE1 3.26Å; R528-E532 WeakPolarHBondContact CG-OE1 3.4Å; R528-E532 WeakPolarHBondContact O-CB 2.81Å; R528-E532 VanDerWaalsContact O-CG 3.31Å; R528-E532 WeakPolarHBondContact O-CG 3.47Å; R528-E532 PolarHBondContact O-N 3.27Å
529R86.9Confident86.5Confident131 Ų13176.4 Ų76.449%0.49436%0.358SS..Hα-helixtrans-60.2-44.1175.6-72.3174.2-174.9-178.84.5111.9T525 L526 Q527 E532 E533T525-R529 WeakPolarHBondContact O-CG 3.36Å; T525-R529 PolarHBondContact O-N 3.41Å; T525-R529 VanDerWaalsContact O-N 3.11Å; L526-R529 PolarHBondContact O-N 2.77Å; Q527-R529 PolarHBondContact O-N 3.36Å; R529-E532 PolarHBondContact O-N 2.88Å; R529-E533 PolarHBondContact O-N 2.68Å
530I82.3Confident84.9Confident94 Ų9478.2 Ų78.248%0.48238%0.376SS..Hα-helixtrans-62.9-43.1178.2-68.3164.4000111.1L526 Q527 R528 L534L526-I530 HydrophobicContact CD1-CD1 4.11Å; L526-I530 HydrophobicContact CD1-CG1 4.48Å; L526-I530 HydrophobicContact CG-CD1 3.99Å; L526-I530 VanDerWaalsContact O-CG1 3.31Å; L526-I530 WeakPolarHBondContact O-CG1 3.4Å; L526-I530 PolarHBondContact O-N 2.8Å; Q527-I530 PolarHBondContact O-N 2.73Å; R528-I530 PolarHBondContact O-N 3.28Å; I530-L534 WeakPolarHBondContact O-CB 3.33Å; I530-L534 PolarHBondContact O-N 3.08Å
531E84.3Confident83.2Confident104 Ų10485 Ų8549%0.48640%0.4SS..Hα-helixtrans-63-43.7174.5-82.5-167.9-142.900112.9Q527 R528 L534 K535Q527-E531 PolarHBondContact O-N 2.79Å; R528-E531 PolarHBondContact O-N 2.78Å; E531-L534 PolarHBondContact O-N 2.68Å; E531-K535 WeakPolarHBondContact O-CB 3.26Å; E531-K535 WeakPolarHBondContact O-CD 3.18Å; E531-K535 WeakPolarHBondContact O-CG 3.49Å; E531-K535 PolarHBondContact O-N 2.8Å; E531-K535 WeakPolarHBondContact OE2-CE 3.25Å; E531-K535 IonicContact OE2-NZ 2.6Å; E531-K535 PolarHBondContact OE2-NZ 2.85Å
532E86.1Confident81.3Confident101 Ų10187.3 Ų87.347%0.47241%0.411SS..Hα-helixtrans-64.8-41.5179-75.3167.6-176.900111.5R528 R529 S536R528-E532 VanDerWaalsContact CG-OE1 3.26Å; R528-E532 WeakPolarHBondContact CG-OE1 3.4Å; R528-E532 WeakPolarHBondContact O-CB 2.81Å; R528-E532 VanDerWaalsContact O-CG 3.31Å; R528-E532 WeakPolarHBondContact O-CG 3.47Å; R528-E532 PolarHBondContact O-N 3.27Å; R529-E532 PolarHBondContact O-N 2.88Å; E532-S536 VanDerWaalsContact O-CB 3.28Å; E532-S536 WeakPolarHBondContact O-CB 3.3Å; E532-S536 PolarHBondContact O-N 3.45Å; E532-S536 PolarHBondContact O-OG 3.11Å
533E84.1Confident79.2Confident107 Ų10794.2 Ų94.250%0.544%0.438SS..Hα-helixtrans-59.9-44.1169.3-84.1-164.7-140.600112.6R529 S536 K537R529-E533 PolarHBondContact O-N 2.68Å; E533-S536 PolarHBondContact O-N 3.48Å; E533-K537 WeakPolarHBondContact O-CB 3.41Å; E533-K537 WeakPolarHBondContact O-CD 3.37Å; E533-K537 WeakPolarHBondContact O-CG 3.49Å; E533-K537 PolarHBondContact O-N 3.34Å; E533-K537 WeakPolarHBondContact OE2-CE 3.46Å; E533-K537 IonicContact OE2-NZ 3.93Å; E533-K537 PolarHBondContact OE2-NZ 2.86Å
534L80.8Confident77.3Confident107 Ų10798 Ų9856%0.5646%0.461SS*.Hα-helixtrans-64.7-47.2-180-166.975.1000111.2I530 E531 S536 K537 I538I530-L534 WeakPolarHBondContact O-CB 3.33Å; I530-L534 PolarHBondContact O-N 3.08Å; E531-L534 PolarHBondContact O-N 2.68Å; L534-S536 VanDerWaalsContact C-N 3.26Å; L534-S536 PolarHBondContact O-N 2.98Å; L534-K537 PolarHBondContact O-N 3.48Å; L534-I538 HydrophobicContact CG-CD1 4.2Å; L534-I538 VanDerWaalsContact O-CG1 3.31Å; L534-I538 WeakPolarHBondContact O-CG1 3.34Å; L534-I538 PolarHBondContact O-N 2.97Å
535K83.9Confident75.3Confident106 Ų10699.7 Ų99.746%0.46147%0.473SS..Hα-helixtrans-59.1-38.1175.2-69.5160.7-167.8168.70111.3E531 K539E531-K535 WeakPolarHBondContact O-CB 3.26Å; E531-K535 WeakPolarHBondContact O-CD 3.18Å; E531-K535 WeakPolarHBondContact O-CG 3.49Å; E531-K535 PolarHBondContact O-N 2.8Å; E531-K535 WeakPolarHBondContact OE2-CE 3.25Å; E531-K535 IonicContact OE2-NZ 2.6Å; E531-K535 PolarHBondContact OE2-NZ 2.85Å; K535-K539 WeakPolarHBondContact O-CG 3.34Å; K535-K539 PolarHBondContact O-N 2.94Å
536S81.8Confident73.5Confident78 Ų78103.9 Ų103.955%0.54549%0.493SS..Hα-helixtrans-69.7-41.3176.8-58.90000112.4E532 E533 L534 I538 K539 G540E532-S536 VanDerWaalsContact O-CB 3.28Å; E532-S536 WeakPolarHBondContact O-CB 3.3Å; E532-S536 PolarHBondContact O-N 3.45Å; E532-S536 PolarHBondContact O-OG 3.11Å; E533-S536 PolarHBondContact O-N 3.48Å; L534-S536 VanDerWaalsContact C-N 3.26Å; L534-S536 PolarHBondContact O-N 2.98Å; S536-I538 VanDerWaalsContact C-N 3.35Å; S536-K539 PolarHBondContact O-N 3.29Å; S536-G540 PolarHBondContact O-N 3.45Å
537K75.6Confident71.4Confident117 Ų117110.7 Ų110.751%0.50952%0.521SS..Hα-helixtrans-66.9-33.5175.3-70.4161.1-168.6169.40112.3E533 L534 R541E533-K537 WeakPolarHBondContact O-CB 3.41Å; E533-K537 WeakPolarHBondContact O-CD 3.37Å; E533-K537 WeakPolarHBondContact O-CG 3.49Å; E533-K537 PolarHBondContact O-N 3.34Å; E533-K537 WeakPolarHBondContact OE2-CE 3.46Å; E533-K537 IonicContact OE2-NZ 3.93Å; E533-K537 PolarHBondContact OE2-NZ 2.86Å; L534-K537 PolarHBondContact O-N 3.48Å; K537-R541 WeakPolarHBondContact O-CG 3.45Å; K537-R541 PolarHBondContact O-N 3.42Å
538I76.3Confident69.4Low83 Ų83116.7 Ų116.743%0.42654%0.542SS..Hα-helixtrans-66.9-54172.7-69163.8000110.3L534 S536 G540 R541 E542L534-I538 HydrophobicContact CG-CD1 4.2Å; L534-I538 VanDerWaalsContact O-CG1 3.31Å; L534-I538 WeakPolarHBondContact O-CG1 3.34Å; L534-I538 PolarHBondContact O-N 2.97Å; S536-I538 VanDerWaalsContact C-N 3.35Å; I538-G540 VanDerWaalsContact C-N 3.28Å; I538-G540 PolarHBondContact O-N 3.5Å; I538-R541 WeakPolarHBondContact O-CA 3.45Å; I538-R541 WeakPolarHBondContact O-CB 3.4Å; I538-R541 PolarHBondContact O-N 3.01Å; I538-E542 PolarHBondContact O-N 2.54Å
539K69.6Low67.3Low128 Ų128115.7 Ų115.756%0.55755%0.553SS**Hα-helixtrans-56.7-40.4176.4-73.2179.9176.9-176.30112.8K535 S536 R541 E542 Y543K535-K539 WeakPolarHBondContact O-CG 3.34Å; K535-K539 PolarHBondContact O-N 2.94Å; S536-K539 PolarHBondContact O-N 3.29Å; K539-R541 VanDerWaalsContact C-N 3.3Å; K539-R541 PolarHBondContact O-N 3.36Å; K539-E542 WeakPolarHBondContact CA-OE2 3.28Å; K539-E542 WeakPolarHBondContact O-CB 3.33Å; K539-E542 PolarHBondContact O-N 3.39Å; K539-Y543 WeakPolarHBondContact O-CD2 3.42Å; K539-Y543 PolarHBondContact O-N 2.81Å
540G62.6Low65.3Low37 Ų37117.3 Ų117.338%0.38157%0.571SS.*Hα-helixtrans-58.2-39.8174.500000113.1S536 I538 T544S536-G540 PolarHBondContact O-N 3.45Å; I538-G540 VanDerWaalsContact C-N 3.28Å; I538-G540 PolarHBondContact O-N 3.5Å; G540-T544 PolarHBondContact O-N 3.22Å; G540-T544 VanDerWaalsContact O-N 3.13Å; G540-T544 PolarHBondContact O-OG1 2.96Å
541R60.2Low63.4Low178 Ų178117.3 Ų117.367%0.67258%0.579SS**Hα-helixtrans-69.7-37.6175-72.2171.5176.4-174.6-1.3112.5K537 I538 K539 T544 N545K537-R541 WeakPolarHBondContact O-CG 3.45Å; K537-R541 PolarHBondContact O-N 3.42Å; I538-R541 WeakPolarHBondContact O-CA 3.45Å; I538-R541 WeakPolarHBondContact O-CB 3.4Å; I538-R541 PolarHBondContact O-N 3.01Å; K539-R541 VanDerWaalsContact C-N 3.3Å; K539-R541 PolarHBondContact O-N 3.36Å; R541-T544 WeakPolarHBondContact CA-OG1 3.39Å; R541-T544 PolarHBondContact O-N 3.37Å; R541-T544 PolarHBondContact O-OG1 3.41Å; R541-N545 WeakPolarHBondContact O-CB 3.28Å; R541-N545 PolarHBondContact O-N 3.35Å; R541-N545 PolarHBondContact O-OD1 3.1Å
542E56.8Low61.4Low105 Ų105119.3 Ų119.349%0.49159%0.593SS.*Hα-helixtrans-61.1-46.3174.3-66.9168.9159.100110.7I538 K539 T544 N545 I546I538-E542 PolarHBondContact O-N 2.54Å; K539-E542 WeakPolarHBondContact CA-OE2 3.28Å; K539-E542 WeakPolarHBondContact O-CB 3.33Å; K539-E542 PolarHBondContact O-N 3.39Å; E542-T544 VanDerWaalsContact C-N 3.35Å; E542-T544 PolarHBondContact O-N 3.01Å; E542-N545 PolarHBondContact O-N 2.93Å; E542-I546 WeakPolarHBondContact O-CG1 3.28Å; E542-I546 PolarHBondContact O-N 3.15Å
543Y53Low59.2Low175 Ų175123.2 Ų123.269%0.68662%0.616SS**Hα-helixtrans-63.1-33.5175.1-79.2-66.1000114K539K539-Y543 WeakPolarHBondContact O-CD2 3.42Å; K539-Y543 PolarHBondContact O-N 2.81Å
544T52.5Low56.8Low81 Ų81124 Ų12450%0.49763%0.634SS.*Hα-helixtrans-72.2-35.6172.850.30000112.7G540 R541 E542 K547G540-T544 PolarHBondContact O-N 3.22Å; G540-T544 VanDerWaalsContact O-N 3.13Å; G540-T544 PolarHBondContact O-OG1 2.96Å; R541-T544 WeakPolarHBondContact CA-OG1 3.39Å; R541-T544 PolarHBondContact O-N 3.37Å; R541-T544 PolarHBondContact O-OG1 3.41Å; E542-T544 VanDerWaalsContact C-N 3.35Å; E542-T544 PolarHBondContact O-N 3.01Å; T544-K547 PolarHBondContact O-N 2.83Å
545N51.1Low54.5Low106 Ų106123.2 Ų123.257%0.56765%0.651SS**Hα-helixtrans-71-38.3-178.4-68.4-3000112R541 E542 K547 Y548R541-N545 WeakPolarHBondContact O-CB 3.28Å; R541-N545 PolarHBondContact O-N 3.35Å; R541-N545 PolarHBondContact O-OD1 3.1Å; E542-N545 PolarHBondContact O-N 2.93Å; N545-K547 PolarHBondContact O-N 2.67Å; N545-Y548 PolarHBondContact O-N 2.65Å
546I53.2Low52Low109 Ų109122.1 Ų122.156%0.55967%0.671SS**Hα-helixtrans-59.1-30177.3-69163.6000112.1E542 Y548 S549E542-I546 WeakPolarHBondContact O-CG1 3.28Å; E542-I546 PolarHBondContact O-N 3.15Å; I546-Y548 PolarHBondContact O-N 3.23Å; I546-S549 PolarHBondContact O-N 2.78Å
547K43.7Very low49.7Very low183 Ų183127 Ų12780%0.79669%0.685SS**THydrogen-bonded Turntrans-70.8-9176.6-82.2-169.7171.5-174.70115T544 N545T544-K547 PolarHBondContact O-N 2.83Å; N545-K547 PolarHBondContact O-N 2.67Å
548Y43.7Very low47.6Very low200 Ų200129.5 Ų129.578%0.78470%0.698SS**THydrogen-bonded Turntrans-108.715178.8-79.7-81.1000113.9N545 I546N545-Y548 PolarHBondContact O-N 2.65Å; I546-Y548 PolarHBondContact O-N 3.23Å
549S44.2Very low45.5Very low99 Ų99130.5 Ų130.569%0.69271%0.713SS**SBendtrans-129.135.5179.8-55.70000113.6I546I546-S549 PolarHBondContact O-N 2.78Å
550L45.7Very low44.4Very low165 Ų165130.4 Ų130.486%0.86473%0.725SS**SBendtrans-129.926176-85.6171.3000113.2
551S41.1Very low43Very low95 Ų95136.4 Ų136.466%0.66475%0.748SS**SBendtrans-108.1-16.3175.550.10000114.6
552D42.9Very low42.2Very low145 Ų145133.1 Ų133.178%0.77575%0.749SS**  trans-116.193-177.9-71.6-60.9000111.5
553L39.7Very low40.8Very low183 Ų183135.4 Ų135.496%0.95876%0.764SS**  trans-177.293.6150-106.2165.6000110.2
554S34Very low39.6Very low124 Ų124131.8 Ų131.887%0.86776%0.763SS**  trans-143.4117.6176.161.90000112.2
555G32.2Very low38.6Very low90 Ų90133.3 Ų133.393%0.92878%0.777SS**  trans129.9118.7167.600000114.9
556G30.9Very low38.4Very low84 Ų84133.6 Ų133.687%0.86679%0.785SS**  trans146.8113173.400000112.7
557E33.4Very low37.3Very low179 Ų179133.7 Ų133.784%0.83680%0.795SS**  trans-105147.9-176.3-59.2179.9123.700112.7
558Q31.9Very low37.4Very low170 Ų170130.9 Ų130.979%0.79480%0.796SS**  161.3129.9109.9-85.1-171.515.100114.9
559S32.4Very low36.8Very low105 Ų105127.1 Ų127.173%0.73479%0.794SS**  trans72.6168.4147.8-51.80000118
560P47.4Very low36.5Very low126 Ų126128.1 Ų128.182%0.81880%0.798SS**  -132176.8-91.233.1-11.4000118
561L32.6Very low35.8Very low163 Ų163125.9 Ų125.985%0.85379%0.791SS**  trans-43.2164.3174.6-76.8173000117.4
562P42.9Very low35.2Very low109 Ų109126.2 Ų126.271%0.70879%0.792SS**  cis-145.7-159.74045-23000115.6
563L28.8Very low34.6Very low153 Ų153124.6 Ų124.680%0.80179%0.788SS**  cis-160.5-164.55-137.5158.8000110.6
564C27.9Very low34.3Very low99 Ų99122.7 Ų122.767%0.66977%0.773SS**  trans70.177.1157.6-66.50000122.7
565S31.3Very low34Very low112 Ų112124.7 Ų124.778%0.78377%0.771SS**  58.3168.4101.487.40000120.8
566P46.8Very low33.9Very low112 Ų112129.8 Ų129.873%0.72776%0.763SS**  -141.9-179.3-109.138.2-15.2000119.5
567S30.7Very low33.9Very low112 Ų112133 Ų13378%0.78376%0.759SS**  trans77.8166.5155.683.70000119
568P43.9Very low33.7Very low123 Ų123131.4 Ų131.480%0.79976%0.757SS**  cis-126.8-176.5-730.9-9.1000115.4
569T32.2Very low33.7Very low122 Ų122127.8 Ų127.875%0.74875%0.75SS**  trans-93.7172.3176.848.90000113.8
570P36.9Very low33.6Very low119 Ų119127.5 Ų127.577%0.77375%0.749SS**  -141.6132.7109.237.1-23.8000113.1
571V32.5Very low32.7Very low119 Ų119132.2 Ų132.272%0.72175%0.75SS**  54.112173.1-171.90000111.2
572C28.4Very low32.6Very low101 Ų101129.8 Ų129.868%0.68274%0.742SS**  cis-162.5161.728.2-1430000114.7
573T30.3Very low31.9Very low112 Ų112136 Ų13669%0.68775%0.753SS**  trans41.7152142.749.90000123.3
574E32.1Very low32Very low142 Ų142137 Ų13766%0.66475%0.754SS**  cis-174.7150.4-24.3-147.2-178.7-103.900109.1
575M28.5Very low32Very low166 Ų166140.5 Ų140.582%0.81877%0.765SS**  169.4123.6123.8-92.5-162.517200113.6
576R30.9Very low32.2Very low198 Ų198141.7 Ų141.775%0.74777%0.768SS**  trans16.3152.1139.2-53-176.6-166.3-161.30.5120.5
577D29.7Very low31.3Very low150 Ų150139.8 Ų139.880%0.80277%0.768SS**  cis-147176.820.3-138.7-30.2000114
578D30.6Very low31.3Very low147 Ų147143.1 Ų143.179%0.78678%0.777SS**  trans-110.2-174.5-169.5-172.827.1000114.3
579S30.9Very low30.8Very low93 Ų93145.9 Ų145.965%0.6578%0.781SS**  trans92.3111.8172.183.10000115.2
580S30.3Very low30.7Very low100 Ų100148.9 Ų148.970%0.69979%0.786SS**  89.3141.178.290.80000112.6
581R29.1Very low30.6Very low224 Ų224151.6 Ų151.685%0.84579%0.789SS**  cis-160.4145.28.6-131163.5-167.2-1755110.6
582V29.8Very low30.6Very low113 Ų113154.5 Ų154.569%0.68580%0.795SS**  trans24.8127.3145.3-1780000120.2
583Y29.3Very low31Very low239 Ų239158.7 Ų158.794%0.93780%0.801SS**  trans-147.2143.1133.8-102.2-73.4000110.9
584E30.2Very low31.4Very low175 Ų175158.6 Ų158.682%0.81880%0.8SS**  trans-96.5156.6-176.6-68.2-179.6112.800113.3
585N28.2Very low31.6Very low171 Ų171160.7 Ų160.791%0.91481%0.808SS**  trans-91.9131.4174.3-103.5-41000111.1
586V34.3Very low32.1Very low138 Ų138168.1 Ų168.184%0.83683%0.827SS**  trans-122.4116.6167.5-177.20000109
587G28.5Very low32.2Very low72 Ų72166.6 Ų166.674%0.74283%0.831SS**PPolyproline II helixtrans-81.2151.1-17900000113.4
588L31.6Very low32.3Very low182 Ų182167.5 Ų167.595%0.95383%0.832SS**PPolyproline II helixtrans-102129173.9-83.6164000111.2
589M31.8Very low32.4Very low180 Ų180168.6 Ų168.689%0.88784%0.835SS**PPolyproline II helixtrans-79.4149.8174.9-64.1179.976.300111.7
590Q31.7Very low32.5Very low185 Ų185173.1 Ų173.186%0.86485%0.845SS**PPolyproline II helixtrans-69.3147.1166.1-68.9176.5-24.600111
591Q33.7Very low32.6Very low176 Ų176177.6 Ų177.682%0.82286%0.855SS**  trans-119.3126.9156.6-75.6-168.8-700109.6
592Q33.2Very low32.8Very low181 Ų181174.5 Ų174.585%0.84686%0.855SS**  trans-81.6150.3158.8-69.9178.6-18.700109.2
593K37Very low33.1Very low189 Ų189178.9 Ų178.982%0.82287%0.867SS**  trans-130.3144165.9-85.3-173.9175-179.90109.1
594T39Very low33.3Very low109 Ų109174.3 Ų174.367%0.66986%0.862SS**  trans-143.5143.5175.9-16.90000110
595F35.5Very low33.6Very low187 Ų187174.3 Ų174.382%0.8287%0.866SS**  trans55.7106.6169.1-60.1-65.9000119
596R38.8Very low34.1Very low321 Ų321174.5 Ų174.5100%1.21186%0.861SS**  -126.6086.4-97.9-172.5175.8-173.7-1110

Retrieved 596 of 596 residues in 1407.5 ms (Link to these results)

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