A0A077ZNB5_TRITR Loading...

DUF4371 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZNB5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 164 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
1M73.8Confident86.4Confident193 Ų193103.3 Ų103.395%0.95153%0.528SS*.  0-55.40-76.1177.365.700112.4K4 K5M1-K4 PolarHBondContact O-N 3.02Å; M1-K5 WeakPolarHBondContact O-CB 3.28Å; M1-K5 WeakPolarHBondContact O-CG 3.16Å; M1-K5 PolarHBondContact O-N 3.02Å
2I84.8Confident86.7Confident20 Ų2094.7 Ų94.710%0.10348%0.484CS..THydrogen-bonded Turntrans-53.9-57.8-178.9-60.8160.5000111.3K4 K5 L6 K7 P8 V44I2-K4 PolarHBondContact O-N 3.35Å; I2-K5 CarbonylContact O-C 3.49Å; I2-K5 PolarHBondContact O-N 2.95Å; I2-K5 VanDerWaalsContact O-N 3.09Å; I2-L6 PolarHBondContact O-N 3.2Å; I2-K7 HydrophobicContact CG2-CB 3.95Å; I2-K7 WeakPolarHBondContact CG2-O 3.45Å; I2-K7 PolarHBondContact O-N 3.17Å; I2-P8 WeakPolarHBondContact CG2-O 3.44Å; I2-V44 HydrophobicContact CB-CG1 4.41Å; I2-V44 HydrophobicContact CD1-CG1 4.34Å; I2-V44 HydrophobicContact CD1-CG2 3.69Å; I2-V44 HydrophobicContact CG2-CG1 4.33Å
3A84.4Confident87Confident44 Ų4494.8 Ų94.836%0.36448%0.481SS..G310 helixtrans-58-46.1176.300000112.9K5 L6 I48A3-K5 PolarHBondContact O-N 3.32Å; A3-K5 VanDerWaalsContact O-N 3.15Å; A3-L6 WeakPolarHBondContact O-CA 3.25Å; A3-L6 PolarHBondContact O-N 3.17Å; A3-I48 HydrophobicContact CB-CD1 3.73Å; A3-I48 HydrophobicContact CB-CG1 3.99Å
4K86.1Confident87.4Confident186 Ų18696.2 Ų96.281%0.80948%0.483SS*.G310 helixtrans-59.3-27.1177.2-174.3174.6-178.3175.30113.2M1 I2M1-K4 PolarHBondContact O-N 3.02Å; I2-K4 PolarHBondContact O-N 3.35Å
5K89.6Confident87.7Confident152 Ų15293.6 Ų93.666%0.66147%0.474SS*.G310 helixtrans-97.18.6176.9-66.5-65.5-173.1177.50112.6M1 I2 A3 K7M1-K5 WeakPolarHBondContact O-CB 3.28Å; M1-K5 WeakPolarHBondContact O-CG 3.16Å; M1-K5 PolarHBondContact O-N 3.02Å; I2-K5 CarbonylContact O-C 3.49Å; I2-K5 PolarHBondContact O-N 2.95Å; I2-K5 VanDerWaalsContact O-N 3.09Å; A3-K5 PolarHBondContact O-N 3.32Å; A3-K5 VanDerWaalsContact O-N 3.15Å; K5-K7 HydrophobicContact CB-CG 3.98Å; K5-K7 PolarHBondContact O-N 2.93Å
6L86.4Confident88Confident163 Ų16391.1 Ų91.185%0.85346%0.459SS*.THydrogen-bonded Turntrans51.236.6-177.8-58.2174000112.4I2 A3I2-L6 PolarHBondContact O-N 3.2Å; A3-L6 WeakPolarHBondContact O-CA 3.25Å; A3-L6 PolarHBondContact O-N 3.17Å
7K90.1Very high88.2Confident115 Ų11593.5 Ų93.550%0.547%0.468SS..  trans-89.9147.5178.9-71.2-61.1-174.21760110.6I2 K5 H9 E11I2-K7 HydrophobicContact CG2-CB 3.95Å; I2-K7 WeakPolarHBondContact CG2-O 3.45Å; I2-K7 PolarHBondContact O-N 3.17Å; K5-K7 HydrophobicContact CB-CG 3.98Å; K5-K7 PolarHBondContact O-N 2.93Å; K7-H9 PolarHBondContact O-N 3.13Å; K7-E11 HydrophobicContact CB-CB 4.37Å; K7-E11 HydrophobicContact CB-CG 4.18Å
8P89.1Confident88.6Confident81 Ų8191.8 Ų91.853%0.52647%0.465SS..  trans-52.2141.5172.9-26.233.4000111.4I2 A10 E11I2-P8 WeakPolarHBondContact CG2-O 3.44Å; P8-A10 PolarHBondContact O-N 2.96Å; P8-A10 VanDerWaalsContact O-N 3.12Å; P8-E11 HydrophobicContact CB-CG 4.2Å; P8-E11 HydrophobicContact CG-CG 4.33Å; P8-E11 WeakPolarHBondContact O-CB 3.2Å; P8-E11 WeakPolarHBondContact O-CG 3.4Å; P8-E11 PolarHBondContact O-N 3.33Å
9H88Confident88.8Confident60 Ų6090.3 Ų90.328%0.27846%0.458SS..THydrogen-bonded Turntrans-60.8-26.9-178.4-65.1-179.2000112.7K7 E11 G12 R41 V44 I48K7-H9 PolarHBondContact O-N 3.13Å; H9-E11 PolarHBondContact O-N 3.4Å; H9-G12 PolarHBondContact O-N 3.41Å; H9-R41 HydrophobicContact CB-CG 3.84Å; H9-V44 HydrophobicContact CB-CB 4.32Å; H9-V44 HydrophobicContact CB-CG1 4.13Å; H9-I48 VanDerWaalsContact NE2-CD1 3.32Å; H9-I48 WeakPolarHBondContact NE2-CD1 3.39Å
10A88.3Confident89.1Confident53 Ų5387.5 Ų87.544%0.43844%0.444SS..THydrogen-bonded Turntrans-64.1-22.9174.900000113.5P8 G12 E13P8-A10 PolarHBondContact O-N 2.96Å; P8-A10 VanDerWaalsContact O-N 3.12Å; A10-G12 PolarHBondContact O-N 2.96Å; A10-G12 VanDerWaalsContact O-N 3.09Å; A10-E13 PolarHBondContact O-N 2.89Å; A10-E13 VanDerWaalsContact O-N 3.13Å
11E90.2Very high89.4Confident69 Ų6986.2 Ų86.232%0.32245%0.447SS..Hα-helixtrans-61.8-18.7175.5-68.2-79.1-16900112.6K7 P8 H9 E13 F14 V15K7-E11 HydrophobicContact CB-CB 4.37Å; K7-E11 HydrophobicContact CB-CG 4.18Å; P8-E11 HydrophobicContact CB-CG 4.2Å; P8-E11 HydrophobicContact CG-CG 4.33Å; P8-E11 WeakPolarHBondContact O-CB 3.2Å; P8-E11 WeakPolarHBondContact O-CG 3.4Å; P8-E11 PolarHBondContact O-N 3.33Å; H9-E11 PolarHBondContact O-N 3.4Å; E11-E13 PolarHBondContact O-N 3.18Å; E11-F14 PolarHBondContact O-N 3.5Å; E11-V15 WeakPolarHBondContact O-CB 3.42Å; E11-V15 VanDerWaalsContact O-CG2 3.26Å; E11-V15 WeakPolarHBondContact O-CG2 3.48Å; E11-V15 PolarHBondContact O-N 3.24Å
12G89.4Confident90.4Very high0 Ų079.3 Ų79.30%042%0.42CS..Hα-helixtrans-61.7-32.3175.200000113.6H9 A10 K16 L39H9-G12 PolarHBondContact O-N 3.41Å; A10-G12 PolarHBondContact O-N 2.96Å; A10-G12 VanDerWaalsContact O-N 3.09Å; G12-K16 WeakPolarHBondContact O-CB 3.4Å; G12-K16 PolarHBondContact O-N 3.33Å; G12-L39 CarbonylContact C-O 3.56Å; G12-L39 VanDerWaalsContact CA-O 3.3Å; G12-L39 WeakPolarHBondContact CA-O 3.27Å; G12-L39 WeakPolarHBondContact O-CB 3.11Å
13E90.9Very high90.8Very high96 Ų9678.6 Ų78.645%0.44942%0.418SS..Hα-helixtrans-70.4-46.6177.6-69168.8-166.300110.4A10 E11 V15 K16 E17 L39 R41A10-E13 PolarHBondContact O-N 2.89Å; A10-E13 VanDerWaalsContact O-N 3.13Å; E11-E13 PolarHBondContact O-N 3.18Å; E13-V15 PolarHBondContact O-N 3.11Å; E13-K16 WeakPolarHBondContact O-CB 3.29Å; E13-K16 PolarHBondContact O-N 2.99Å; E13-K16 VanDerWaalsContact O-N 3.12Å; E13-E17 PolarHBondContact O-N 2.76Å; E13-L39 PolarHBondContact N-O 3.13Å; E13-R41 PolarHBondContact OE1-N 3.33Å
14F91.8Very high91.3Very high115 Ų11582.5 Ų82.550%0.50443%0.426SS..Hα-helixtrans-60.6-45.3174177.1-113.3000112.3E11 K16 E17 C18E11-F14 PolarHBondContact O-N 3.5Å; F14-K16 PolarHBondContact O-N 3.13Å; F14-E17 WeakPolarHBondContact O-CB 3.47Å; F14-E17 PolarHBondContact O-N 3.44Å; F14-E17 VanDerWaalsContact O-N 3.16Å; F14-C18 VanDerWaalsContact CZ-SG 3.59Å; F14-C18 PolarHBondContact O-N 3.31Å; F14-C18 PolarHBondContact O-SG 3.29Å; F14-C18 VanDerWaalsContact O-SG 3.41Å
15V92.4Very high91.7Very high57 Ų5780.2 Ų80.235%0.34542%0.422SS..Hα-helixtrans-59.4-38.8175.3169.70000111E11 E13 C18 I19 L39E11-V15 WeakPolarHBondContact O-CB 3.42Å; E11-V15 VanDerWaalsContact O-CG2 3.26Å; E11-V15 WeakPolarHBondContact O-CG2 3.48Å; E11-V15 PolarHBondContact O-N 3.24Å; E13-V15 PolarHBondContact O-N 3.11Å; V15-C18 PolarHBondContact O-N 2.88Å; V15-I19 HydrophobicContact CG1-CD1 3.72Å; V15-I19 HydrophobicContact CG1-CG1 4.37Å; V15-I19 VanDerWaalsContact O-CG1 3.24Å; V15-I19 WeakPolarHBondContact O-CG1 3.28Å; V15-I19 PolarHBondContact O-N 3.09Å; V15-L39 HydrophobicContact CG1-CD1 4.19Å
16K92.3Very high92Very high54 Ų5479.7 Ų79.724%0.23543%0.426CS..Hα-helixtrans-63.5-44.9176-173.3169.7178.8164.90111.6G12 E13 F14 C18 I19 L20 E35 V37 L39G12-K16 WeakPolarHBondContact O-CB 3.4Å; G12-K16 PolarHBondContact O-N 3.33Å; E13-K16 WeakPolarHBondContact O-CB 3.29Å; E13-K16 PolarHBondContact O-N 2.99Å; E13-K16 VanDerWaalsContact O-N 3.12Å; F14-K16 PolarHBondContact O-N 3.13Å; K16-C18 VanDerWaalsContact C-N 3.34Å; K16-C18 PolarHBondContact O-N 3.07Å; K16-I19 PolarHBondContact O-N 3.27Å; K16-L20 HydrophobicContact CG-CD1 4.12Å; K16-L20 HydrophobicContact CG-CG 4.43Å; K16-L20 WeakPolarHBondContact O-CB 3.3Å; K16-L20 WeakPolarHBondContact O-CG 3.18Å; K16-L20 PolarHBondContact O-N 2.96Å; K16-E35 WeakPolarHBondContact CE-O 3.39Å; K16-E35 PolarHBondContact NZ-O 2.98Å; K16-V37 WeakPolarHBondContact CD-O 3.4Å; K16-V37 VanDerWaalsContact CE-O 3.28Å; K16-V37 WeakPolarHBondContact CE-O 3.32Å; K16-V37 PolarHBondContact NZ-O 3.11Å; K16-L39 HydrophobicContact CB-CB 4.32Å; K16-L39 HydrophobicContact CB-CD1 4.09Å
17E92.6Very high92.4Very high132 Ų13273.7 Ų73.762%0.61740%0.4SS*.Hα-helixtrans-58-46.5175.8-70.2177.6-179.100111.6E13 F14 I19 L20 A21E13-E17 PolarHBondContact O-N 2.76Å; F14-E17 WeakPolarHBondContact O-CB 3.47Å; F14-E17 PolarHBondContact O-N 3.44Å; F14-E17 VanDerWaalsContact O-N 3.16Å; E17-I19 PolarHBondContact O-N 2.97Å; E17-L20 PolarHBondContact O-N 3.27Å; E17-A21 WeakPolarHBondContact O-CB 3.42Å; E17-A21 PolarHBondContact O-N 3.42Å
18C93.7Very high92.5Very high62 Ų6272.1 Ų72.142%0.41940%0.401SS..Hα-helixtrans-60.7-44.6176.5-65.40000112.4F14 V15 K16 L20 A21 A22F14-C18 VanDerWaalsContact CZ-SG 3.59Å; F14-C18 PolarHBondContact O-N 3.31Å; F14-C18 PolarHBondContact O-SG 3.29Å; F14-C18 VanDerWaalsContact O-SG 3.41Å; V15-C18 PolarHBondContact O-N 2.88Å; K16-C18 VanDerWaalsContact C-N 3.34Å; K16-C18 PolarHBondContact O-N 3.07Å; C18-L20 VanDerWaalsContact C-N 3.34Å; C18-L20 PolarHBondContact O-N 3.48Å; C18-A21 PolarHBondContact O-N 2.93Å; C18-A22 WeakPolarHBondContact O-CB 3.48Å; C18-A22 PolarHBondContact O-N 3.42Å
19I93.8Very high92.7Very high63 Ų6373.4 Ų73.432%0.32342%0.419SS..Hα-helixtrans-63-42.5178.4-69.9167.8000110.5V15 K16 E17 A22 A23 F34V15-I19 HydrophobicContact CG1-CD1 3.72Å; V15-I19 HydrophobicContact CG1-CG1 4.37Å; V15-I19 VanDerWaalsContact O-CG1 3.24Å; V15-I19 WeakPolarHBondContact O-CG1 3.28Å; V15-I19 PolarHBondContact O-N 3.09Å; K16-I19 PolarHBondContact O-N 3.27Å; E17-I19 PolarHBondContact O-N 2.97Å; I19-A22 PolarHBondContact O-N 3.15Å; I19-A23 VanDerWaalsContact O-CB 3.24Å; I19-A23 WeakPolarHBondContact O-CB 3.31Å; I19-A23 PolarHBondContact O-N 3.37Å; I19-F34 HydrophobicContact CG2-CB 3.87Å; I19-F34 HydrophobicContact CG2-CD1 3.43Å; I19-F34 VanDerWaalsContact CG2-CD1 3.43Å; I19-F34 HydrophobicContact CG2-CE1 4.09Å; I19-F34 HydrophobicContact CG2-CG 3.74Å
20L94.3Very high92.9Very high34 Ų3472.9 Ų72.918%0.17842%0.422CS..Hα-helixtrans-66.8-40.9178.7-72175.9000112.1K16 E17 C18 A22 A23 K24 F34 E35K16-L20 HydrophobicContact CG-CD1 4.12Å; K16-L20 HydrophobicContact CG-CG 4.43Å; K16-L20 WeakPolarHBondContact O-CB 3.3Å; K16-L20 WeakPolarHBondContact O-CG 3.18Å; K16-L20 PolarHBondContact O-N 2.96Å; E17-L20 PolarHBondContact O-N 3.27Å; C18-L20 VanDerWaalsContact C-N 3.34Å; C18-L20 PolarHBondContact O-N 3.48Å; L20-A22 VanDerWaalsContact C-N 3.34Å; L20-A23 PolarHBondContact O-N 3.39Å; L20-K24 WeakPolarHBondContact O-CB 3.47Å; L20-K24 VanDerWaalsContact O-CG 3.28Å; L20-K24 WeakPolarHBondContact O-CG 3.33Å; L20-K24 PolarHBondContact O-N 2.87Å; L20-F34 HydrophobicContact CD2-CB 4.02Å; L20-E35 HydrophobicContact CD2-CB 4.04Å
21A95Very high93Very high61 Ų6173.1 Ų73.150%0.50441%0.414SS..Hα-helixtrans-61.1-43.8174.300000111.6E17 C18 L25E17-A21 WeakPolarHBondContact O-CB 3.42Å; E17-A21 PolarHBondContact O-N 3.42Å; C18-A21 PolarHBondContact O-N 2.93Å; A21-L25 PolarHBondContact O-N 3.04Å
22A95Very high93.1Very high48 Ų4878.2 Ų78.240%0.39744%0.435SS..Hα-helixtrans-67.6-42.117700000112.3C18 I19 L20 K24 L25 L26C18-A22 WeakPolarHBondContact O-CB 3.48Å; C18-A22 PolarHBondContact O-N 3.42Å; I19-A22 PolarHBondContact O-N 3.15Å; L20-A22 VanDerWaalsContact C-N 3.34Å; A22-K24 PolarHBondContact O-N 3.12Å; A22-L25 PolarHBondContact O-N 2.99Å; A22-L26 WeakPolarHBondContact O-CB 3.3Å; A22-L26 PolarHBondContact O-N 3.23Å
23A94.1Very high93.2Very high6 Ų683.7 Ų83.75%0.0546%0.464CS..Hα-helixtrans-62.7-42.5178.900000112I19 L20 L25 L26 A27 P28 F34I19-A23 VanDerWaalsContact O-CB 3.24Å; I19-A23 WeakPolarHBondContact O-CB 3.31Å; I19-A23 PolarHBondContact O-N 3.37Å; L20-A23 PolarHBondContact O-N 3.39Å; A23-L25 PolarHBondContact O-N 2.94Å; A23-L26 PolarHBondContact O-N 3.3Å; A23-A27 CarbonylContact O-C 2.92Å; A23-A27 WeakPolarHBondContact O-CA 3.48Å; A23-A27 PolarHBondContact O-N 2.99Å; A23-P28 VanDerWaalsContact O-N 3.16Å; A23-F34 HydrophobicContact CB-CD2 3.39Å; A23-F34 HydrophobicContact CB-CE2 3.81Å; A23-F34 HydrophobicContact CB-CG 4.18Å
24K94.2Very high93.2Very high125 Ų12582.7 Ų82.754%0.54346%0.458SS..Hα-helixtrans-56.7-33.4174.5-78171177.9179.10113.2L20 A22 E31L20-K24 WeakPolarHBondContact O-CB 3.47Å; L20-K24 VanDerWaalsContact O-CG 3.28Å; L20-K24 WeakPolarHBondContact O-CG 3.33Å; L20-K24 PolarHBondContact O-N 2.87Å; A22-K24 PolarHBondContact O-N 3.12Å; K24-E31 WeakPolarHBondContact CE-OE1 3.5Å; K24-E31 VanDerWaalsContact CG-CD 3.41Å; K24-E31 HydrophobicContact CG-CG 4.12Å; K24-E31 WeakPolarHBondContact CG-OE1 3.41Å; K24-E31 IonicContact NZ-OE1 3.86Å
25L94.8Very high93.2Very high139 Ų13982.5 Ų82.573%0.72846%0.459SS*.Hα-helixtrans-87.6-44.1-178.7-177.962.8000112.7A21 A22 A23A21-L25 PolarHBondContact O-N 3.04Å; A22-L25 PolarHBondContact O-N 2.99Å; A23-L25 PolarHBondContact O-N 2.94Å
26L96.2Very high93.2Very high141 Ų14184 Ų8474%0.73847%0.472SS*.Hα-helixtrans-105.3-25.9-165.7-59.3176.4000113.6A22 A23A22-L26 WeakPolarHBondContact O-CB 3.3Å; A22-L26 PolarHBondContact O-N 3.23Å; A23-L26 PolarHBondContact O-N 3.3Å
27A93.8Very high93.1Very high36 Ų3684.3 Ų84.330%0.29848%0.478SS..  trans-146.662.9-177.600000112.1A23 A29 S30 E31A23-A27 CarbonylContact O-C 2.92Å; A23-A27 WeakPolarHBondContact O-CA 3.48Å; A23-A27 PolarHBondContact O-N 2.99Å; A27-A29 PolarHBondContact O-N 3.09Å; A27-A29 VanDerWaalsContact O-N 3.16Å; A27-S30 PolarHBondContact O-N 2.91Å; A27-E31 PolarHBondContact O-N 2.8Å
28P92.1Very high92.9Very high82 Ų8280 Ų8053%0.53246%0.462SS..G310 helixtrans-58.6-34.5-173.4-21.330.6000113.1A23 S30 E31A23-P28 VanDerWaalsContact O-N 3.16Å; P28-S30 PolarHBondContact O-N 3.41Å; P28-E31 WeakPolarHBondContact O-CB 3.22Å; P28-E31 PolarHBondContact O-N 3.01Å
29A94.8Very high92.7Very high108 Ų10878.3 Ų78.389%0.89345%0.449SS*.G310 helixtrans-61.8-24.5177.200000113.4A27A27-A29 PolarHBondContact O-N 3.09Å; A27-A29 VanDerWaalsContact O-N 3.16Å
30S91.2Very high92.5Very high49 Ų4977 Ų7734%0.34345%0.446SS..G310 helixtrans-99.70.9-179.4-58.80000113.1A27 P28 K32 L33 F34A27-S30 PolarHBondContact O-N 2.91Å; P28-S30 PolarHBondContact O-N 3.41Å; S30-K32 VanDerWaalsContact C-N 3.34Å; S30-K32 PolarHBondContact O-N 3.03Å; S30-L33 VanDerWaalsContact O-CB 3.25Å; S30-L33 WeakPolarHBondContact O-CB 3.14Å; S30-L33 PolarHBondContact O-N 2.61Å; S30-F34 WeakPolarHBondContact O-CD2 3.36Å; S30-F34 PolarHBondContact O-N 3.4Å
31E90.7Very high92.3Very high59 Ų5983.7 Ų83.728%0.27647%0.468SS..Hα-helixtrans-54.5-47.5-174.3-175-176.2167.500112.5K24 A27 P28 L33 F34 E35K24-E31 WeakPolarHBondContact CE-OE1 3.5Å; K24-E31 VanDerWaalsContact CG-CD 3.41Å; K24-E31 HydrophobicContact CG-CG 4.12Å; K24-E31 WeakPolarHBondContact CG-OE1 3.41Å; K24-E31 IonicContact NZ-OE1 3.86Å; A27-E31 PolarHBondContact O-N 2.8Å; P28-E31 WeakPolarHBondContact O-CB 3.22Å; P28-E31 PolarHBondContact O-N 3.01Å; E31-L33 PolarHBondContact O-N 2.95Å; E31-F34 PolarHBondContact O-N 2.8Å; E31-F34 VanDerWaalsContact O-N 3.08Å; E31-E35 PolarHBondContact O-N 2.87Å
32K91.6Very high92.1Very high175 Ų17589.9 Ų89.976%0.76148%0.479SS*.Hα-helixtrans-60.3-31.5178-67.2-171.8177.8-1770113.1S30 E35 S36S30-K32 VanDerWaalsContact C-N 3.34Å; S30-K32 PolarHBondContact O-N 3.03Å; K32-E35 PolarHBondContact O-N 3.1Å; K32-S36 PolarHBondContact O-N 3.37Å; K32-S36 VanDerWaalsContact O-N 3.09Å
33L92.7Very high91.9Very high115 Ų11589 Ų8960%0.60247%0.469SS*.Hα-helixtrans-65.6-46175.9-179.764.4000110.1S30 E31 E35 S36S30-L33 VanDerWaalsContact O-CB 3.25Å; S30-L33 WeakPolarHBondContact O-CB 3.14Å; S30-L33 PolarHBondContact O-N 2.61Å; E31-L33 PolarHBondContact O-N 2.95Å; L33-E35 VanDerWaalsContact C-N 3.35Å; L33-S36 PolarHBondContact O-N 2.85Å; L33-S36 PolarHBondContact O-OG 3Å
34F90.2Very high91.6Very high75 Ų7589.3 Ų89.333%0.32947%0.47SS..Hα-helixtrans-67.1-35.9176.4-64.7-68.8000112.6I19 L20 A23 S30 E31 S36 V37I19-F34 HydrophobicContact CG2-CB 3.87Å; I19-F34 HydrophobicContact CG2-CD1 3.43Å; I19-F34 VanDerWaalsContact CG2-CD1 3.43Å; I19-F34 HydrophobicContact CG2-CE1 4.09Å; I19-F34 HydrophobicContact CG2-CG 3.74Å; L20-F34 HydrophobicContact CD2-CB 4.02Å; A23-F34 HydrophobicContact CB-CD2 3.39Å; A23-F34 HydrophobicContact CB-CE2 3.81Å; A23-F34 HydrophobicContact CB-CG 4.18Å; S30-F34 WeakPolarHBondContact O-CD2 3.36Å; S30-F34 PolarHBondContact O-N 3.4Å; E31-F34 PolarHBondContact O-N 2.8Å; E31-F34 VanDerWaalsContact O-N 3.08Å; F34-S36 VanDerWaalsContact C-N 3.28Å; F34-S36 PolarHBondContact O-N 2.93Å; F34-V37 WeakPolarHBondContact O-CB 3.21Å; F34-V37 PolarHBondContact O-N 3.23Å
35E91.4Very high91.4Very high112 Ų11285.6 Ų85.652%0.52346%0.459SS..Hα-helixtrans-61.4-37.6175.9-170.6176.4-156.400112.1K16 L20 E31 K32 L33 V37K16-E35 WeakPolarHBondContact CE-O 3.39Å; K16-E35 PolarHBondContact NZ-O 2.98Å; L20-E35 HydrophobicContact CD2-CB 4.04Å; E31-E35 PolarHBondContact O-N 2.87Å; K32-E35 PolarHBondContact O-N 3.1Å; L33-E35 VanDerWaalsContact C-N 3.35Å; E35-V37 PolarHBondContact O-N 3.24Å
36S92.3Very high91.4Very high88 Ų8882.4 Ų82.462%0.61544%0.443SS*.Hα-helixtrans-65.6-20.817879.40000113.9K32 L33 F34 S38K32-S36 PolarHBondContact O-N 3.37Å; K32-S36 VanDerWaalsContact O-N 3.09Å; L33-S36 PolarHBondContact O-N 2.85Å; L33-S36 PolarHBondContact O-OG 3Å; F34-S36 VanDerWaalsContact C-N 3.28Å; F34-S36 PolarHBondContact O-N 2.93Å; S36-S38 PolarHBondContact O-N 3.02Å; S36-S38 VanDerWaalsContact O-N 3.13Å
37V89.6Confident91.2Very high60 Ų6082 Ų8236%0.36443%0.432SS..SBendtrans-73.1109.1178.3-174.40000109.1K16 F34 E35 L39K16-V37 WeakPolarHBondContact CD-O 3.4Å; K16-V37 VanDerWaalsContact CE-O 3.28Å; K16-V37 WeakPolarHBondContact CE-O 3.32Å; K16-V37 PolarHBondContact NZ-O 3.11Å; F34-V37 WeakPolarHBondContact O-CB 3.21Å; F34-V37 PolarHBondContact O-N 3.23Å; E35-V37 PolarHBondContact O-N 3.24Å; V37-L39 HydrophobicContact CG1-CD2 4.18Å; V37-L39 HydrophobicContact CG1-CG 4.09Å; V37-L39 PolarHBondContact O-N 2.94Å
38S89.4Confident91.1Very high42 Ų4283.1 Ų83.129%0.29443%0.432SS..  trans-76.2123.7171-177.70000110.7S36 T43S36-S38 PolarHBondContact O-N 3.02Å; S36-S38 VanDerWaalsContact O-N 3.13Å; S38-T43 WeakPolarHBondContact O-CG2 3.35Å; S38-T43 WeakPolarHBondContact OG-CB 3.42Å; S38-T43 PolarHBondContact OG-OG1 2.85Å
39L89.3Confident91.2Very high26 Ų2682.6 Ų82.614%0.13643%0.428CS..  trans-126.123.2173.4-64.5178.4000111.3G12 E13 V15 K16 V37G12-L39 CarbonylContact C-O 3.56Å; G12-L39 VanDerWaalsContact CA-O 3.3Å; G12-L39 WeakPolarHBondContact CA-O 3.27Å; G12-L39 WeakPolarHBondContact O-CB 3.11Å; E13-L39 PolarHBondContact N-O 3.13Å; V15-L39 HydrophobicContact CG1-CD1 4.19Å; K16-L39 HydrophobicContact CB-CB 4.32Å; K16-L39 HydrophobicContact CB-CD1 4.09Å; V37-L39 HydrophobicContact CG1-CD2 4.18Å; V37-L39 HydrophobicContact CG1-CG 4.09Å; V37-L39 PolarHBondContact O-N 2.94Å
40S89.9Confident91.2Very high37 Ų3782.4 Ų82.426%0.25941%0.412SS..  trans-58.6155.7173.971.40000110.9R42 T43 V44S40-R42 PolarHBondContact O-N 2.88Å; S40-R42 VanDerWaalsContact O-N 3.12Å; S40-T43 PolarHBondContact O-N 3.31Å; S40-T43 VanDerWaalsContact O-N 3.09Å; S40-T43 PolarHBondContact OG-N 2.96Å; S40-T43 VanDerWaalsContact OG-N 3.14Å; S40-T43 PolarHBondContact OG-OG1 2.93Å; S40-T43 VanDerWaalsContact OG-OG1 3.07Å; S40-V44 WeakPolarHBondContact O-CG2 3.04Å; S40-V44 PolarHBondContact O-N 2.86Å
41R89.2Confident91.3Very high173 Ų17384.9 Ų84.965%0.65342%0.421SS*.Hα-helixtrans-48.1-43174.8180178.7-178.5-175.81.1112.4H9 E13 S45H9-R41 HydrophobicContact CB-CG 3.84Å; E13-R41 PolarHBondContact OE1-N 3.33Å; R41-S45 WeakPolarHBondContact O-CB 3.29Å; R41-S45 PolarHBondContact O-N 3.21Å; R41-S45 VanDerWaalsContact O-N 3.08Å
42R91.5Very high91.5Very high191 Ų19184.5 Ų84.572%0.72143%0.428SS*.Hα-helixtrans-64.9-51.8179.7-171.5177.7-169.2159.35.7111.2S40 V44 S45 D46S40-R42 PolarHBondContact O-N 2.88Å; S40-R42 VanDerWaalsContact O-N 3.12Å; R42-V44 VanDerWaalsContact C-N 3.3Å; R42-V44 PolarHBondContact O-N 3.47Å; R42-S45 WeakPolarHBondContact O-CA 3.44Å; R42-S45 WeakPolarHBondContact O-CB 3.26Å; R42-S45 PolarHBondContact O-N 2.91Å; R42-D46 WeakPolarHBondContact CG-OD2 3.43Å; R42-D46 PolarHBondContact O-N 2.87Å
43T89.9Confident91.7Very high31 Ų3179.5 Ų79.519%0.1941%0.409CS..Hα-helixtrans-60.3-39.6179.5-600000112.7S38 S40 S45 R47S38-T43 WeakPolarHBondContact O-CG2 3.35Å; S38-T43 WeakPolarHBondContact OG-CB 3.42Å; S38-T43 PolarHBondContact OG-OG1 2.85Å; S40-T43 PolarHBondContact O-N 3.31Å; S40-T43 VanDerWaalsContact O-N 3.09Å; S40-T43 PolarHBondContact OG-N 2.96Å; S40-T43 VanDerWaalsContact OG-N 3.14Å; S40-T43 PolarHBondContact OG-OG1 2.93Å; S40-T43 VanDerWaalsContact OG-OG1 3.07Å; T43-S45 VanDerWaalsContact C-N 3.33Å; T43-R47 HydrophobicContact CG2-CG 4.47Å; T43-R47 WeakPolarHBondContact O-CB 3.42Å; T43-R47 VanDerWaalsContact O-CG 3.27Å; T43-R47 WeakPolarHBondContact O-CG 3.32Å; T43-R47 PolarHBondContact O-N 3.27Å
44V88.7Confident91.9Very high12 Ų1278.1 Ų78.17%0.07340%0.402CS..Hα-helixtrans-63.3-43.3175.8175.50000110.5I2 H9 S40 R42 I48I2-V44 HydrophobicContact CB-CG1 4.41Å; I2-V44 HydrophobicContact CD1-CG1 4.34Å; I2-V44 HydrophobicContact CD1-CG2 3.69Å; I2-V44 HydrophobicContact CG2-CG1 4.33Å; H9-V44 HydrophobicContact CB-CB 4.32Å; H9-V44 HydrophobicContact CB-CG1 4.13Å; S40-V44 WeakPolarHBondContact O-CG2 3.04Å; S40-V44 PolarHBondContact O-N 2.86Å; R42-V44 VanDerWaalsContact C-N 3.3Å; R42-V44 PolarHBondContact O-N 3.47Å; V44-I48 HydrophobicContact CG1-CD1 4.12Å; V44-I48 WeakPolarHBondContact O-CD1 3.48Å; V44-I48 VanDerWaalsContact O-CG1 3.28Å; V44-I48 WeakPolarHBondContact O-CG1 3.27Å; V44-I48 PolarHBondContact O-N 3.33Å
45S91.1Very high92.1Very high46 Ų4679.3 Ų79.332%0.32241%0.411SS..Hα-helixtrans-62.4-51176.4-1610000112.1R41 R42 T43 R47 I48 T49R41-S45 WeakPolarHBondContact O-CB 3.29Å; R41-S45 PolarHBondContact O-N 3.21Å; R41-S45 VanDerWaalsContact O-N 3.08Å; R42-S45 WeakPolarHBondContact O-CA 3.44Å; R42-S45 WeakPolarHBondContact O-CB 3.26Å; R42-S45 PolarHBondContact O-N 2.91Å; T43-S45 VanDerWaalsContact C-N 3.33Å; S45-R47 VanDerWaalsContact C-N 3.29Å; S45-R47 PolarHBondContact O-N 3.03Å; S45-I48 WeakPolarHBondContact O-CB 3.45Å; S45-I48 PolarHBondContact O-N 3.11Å; S45-T49 PolarHBondContact O-N 2.91Å; S45-T49 PolarHBondContact O-OG1 3.39Å
46D93.6Very high92.4Very high73 Ų7375.9 Ų75.939%0.3940%0.395SS..Hα-helixtrans-58.6-43.3-178-63.4-15.5000110.4R42 I48 T49 D50R42-D46 WeakPolarHBondContact CG-OD2 3.43Å; R42-D46 PolarHBondContact O-N 2.87Å; D46-I48 VanDerWaalsContact C-N 3.29Å; D46-I48 PolarHBondContact O-N 3.46Å; D46-T49 CarbonylContact O-C 3.21Å; D46-T49 WeakPolarHBondContact O-CB 3.43Å; D46-T49 PolarHBondContact O-N 3.39Å; D46-T49 VanDerWaalsContact O-N 3.15Å; D46-D50 WeakPolarHBondContact O-CB 3.25Å; D46-D50 VanDerWaalsContact O-CG 3.23Å; D46-D50 PolarHBondContact O-N 3.27Å
47R92Very high92.6Very high132 Ų13276.9 Ų76.950%0.49839%0.388SS..Hα-helixtrans-63.5-31.9176.2-73.6176.2178.9-178.31.8113.8T43 S45 L51T43-R47 HydrophobicContact CG2-CG 4.47Å; T43-R47 WeakPolarHBondContact O-CB 3.42Å; T43-R47 VanDerWaalsContact O-CG 3.27Å; T43-R47 WeakPolarHBondContact O-CG 3.32Å; T43-R47 PolarHBondContact O-N 3.27Å; S45-R47 VanDerWaalsContact C-N 3.29Å; S45-R47 PolarHBondContact O-N 3.03Å; R47-L51 WeakPolarHBondContact O-CB 3.38Å; R47-L51 PolarHBondContact O-N 3.12Å; R47-L51 VanDerWaalsContact O-N 3.15Å
48I91.9Very high93Very high59 Ų5977 Ų7730%0.30339%0.389SS..Hα-helixtrans-70.8-43.5174.9-67.3161000109.3A3 H9 V44 S45 D46 L51 A52A3-I48 HydrophobicContact CB-CD1 3.73Å; A3-I48 HydrophobicContact CB-CG1 3.99Å; H9-I48 VanDerWaalsContact NE2-CD1 3.32Å; H9-I48 WeakPolarHBondContact NE2-CD1 3.39Å; V44-I48 HydrophobicContact CG1-CD1 4.12Å; V44-I48 WeakPolarHBondContact O-CD1 3.48Å; V44-I48 VanDerWaalsContact O-CG1 3.28Å; V44-I48 WeakPolarHBondContact O-CG1 3.27Å; V44-I48 PolarHBondContact O-N 3.33Å; S45-I48 WeakPolarHBondContact O-CB 3.45Å; S45-I48 PolarHBondContact O-N 3.11Å; D46-I48 VanDerWaalsContact C-N 3.29Å; D46-I48 PolarHBondContact O-N 3.46Å; I48-L51 PolarHBondContact O-N 2.96Å; I48-A52 WeakPolarHBondContact O-CB 3.41Å; I48-A52 PolarHBondContact O-N 3.4Å
49T93.8Very high93.3Very high71 Ų7175.9 Ų75.944%0.43638%0.38SS..Hα-helixtrans-61.3-48.6175.5-60.40000111.4S45 D46 L51 A52 D53S45-T49 PolarHBondContact O-N 2.91Å; S45-T49 PolarHBondContact O-OG1 3.39Å; D46-T49 CarbonylContact O-C 3.21Å; D46-T49 WeakPolarHBondContact O-CB 3.43Å; D46-T49 PolarHBondContact O-N 3.39Å; D46-T49 VanDerWaalsContact O-N 3.15Å; T49-L51 VanDerWaalsContact C-N 3.27Å; T49-L51 PolarHBondContact O-N 3.28Å; T49-A52 PolarHBondContact O-N 3.37Å; T49-A52 VanDerWaalsContact O-N 3.12Å; T49-D53 WeakPolarHBondContact O-CB 3.44Å; T49-D53 PolarHBondContact O-N 3.17Å
50D95.6Very high93.7Very high104 Ų10478.3 Ų78.356%0.55639%0.389SS*.Hα-helixtrans-57.1-42.1177.5-68.8-23.5000111.6D46 D54D46-D50 WeakPolarHBondContact O-CB 3.25Å; D46-D50 VanDerWaalsContact O-CG 3.23Å; D46-D50 PolarHBondContact O-N 3.27Å; D50-D54 WeakPolarHBondContact O-CB 3.47Å; D50-D54 PolarHBondContact O-N 2.91Å
51L93.7Very high94Very high102 Ų10283.8 Ų83.853%0.53440%0.404SS..Hα-helixtrans-67.9-42.5177.1179.861.9000111.9R47 I48 T49 D53 D54 I55R47-L51 WeakPolarHBondContact O-CB 3.38Å; R47-L51 PolarHBondContact O-N 3.12Å; R47-L51 VanDerWaalsContact O-N 3.15Å; I48-L51 PolarHBondContact O-N 2.96Å; T49-L51 VanDerWaalsContact C-N 3.27Å; T49-L51 PolarHBondContact O-N 3.28Å; L51-D53 VanDerWaalsContact C-N 3.33Å; L51-D54 PolarHBondContact O-N 3.46Å; L51-I55 HydrophobicContact CD1-CD1 4.2Å; L51-I55 HydrophobicContact CD1-CG1 4.4Å; L51-I55 HydrophobicContact CG-CD1 4.03Å; L51-I55 VanDerWaalsContact O-CG1 3.29Å; L51-I55 WeakPolarHBondContact O-CG1 3.29Å; L51-I55 PolarHBondContact O-N 2.97Å
52A93.7Very high94.2Very high51 Ų5176.1 Ų76.142%0.42138%0.377SS..Hα-helixtrans-61.9-43.3176.700000111.2I48 T49 D54 I55 E56I48-A52 WeakPolarHBondContact O-CB 3.41Å; I48-A52 PolarHBondContact O-N 3.4Å; T49-A52 PolarHBondContact O-N 3.37Å; T49-A52 VanDerWaalsContact O-N 3.12Å; A52-D54 PolarHBondContact O-N 2.8Å; A52-I55 PolarHBondContact O-N 2.9Å; A52-E56 WeakPolarHBondContact O-CB 3.28Å; A52-E56 PolarHBondContact O-N 3.36Å
53D96.4Very high94.5Very high70 Ų7067.3 Ų67.337%0.37435%0.345SS..Hα-helixtrans-63.3-39.9176.5-76-2.8000112T49 L51 K57T49-D53 WeakPolarHBondContact O-CB 3.44Å; T49-D53 PolarHBondContact O-N 3.17Å; L51-D53 VanDerWaalsContact C-N 3.33Å; D53-K57 WeakPolarHBondContact O-CB 3.45Å; D53-K57 WeakPolarHBondContact O-CD 3.4Å; D53-K57 WeakPolarHBondContact O-CG 3.44Å; D53-K57 PolarHBondContact O-N 2.89Å
54D97.1Very high94.8Very high86 Ų8669 Ų6946%0.4636%0.362SS..Hα-helixtrans-67.9-41.7177.6-171.561.6000112.3D50 L51 A52 K57 T58D50-D54 WeakPolarHBondContact O-CB 3.47Å; D50-D54 PolarHBondContact O-N 2.91Å; L51-D54 PolarHBondContact O-N 3.46Å; A52-D54 PolarHBondContact O-N 2.8Å; D54-K57 PolarHBondContact O-N 2.82Å; D54-T58 WeakPolarHBondContact O-CB 3.42Å; D54-T58 PolarHBondContact O-N 2.71Å; D54-T58 PolarHBondContact O-OG1 2.8Å
55I95.1Very high95.1Very high99 Ų9973.3 Ų73.351%0.50839%0.385SS..Hα-helixtrans-60.5-49.5173.2-69.7167.2000109.9L51 A52 K57 T58 L59L51-I55 HydrophobicContact CD1-CD1 4.2Å; L51-I55 HydrophobicContact CD1-CG1 4.4Å; L51-I55 HydrophobicContact CG-CD1 4.03Å; L51-I55 VanDerWaalsContact O-CG1 3.29Å; L51-I55 WeakPolarHBondContact O-CG1 3.29Å; L51-I55 PolarHBondContact O-N 2.97Å; A52-I55 PolarHBondContact O-N 2.9Å; I55-K57 VanDerWaalsContact C-N 3.35Å; I55-K57 PolarHBondContact O-N 2.93Å; I55-T58 PolarHBondContact O-N 3.35Å; I55-L59 WeakPolarHBondContact O-CB 3.32Å; I55-L59 PolarHBondContact O-N 2.77Å
56E96.2Very high95.5Very high40 Ų4071.2 Ų71.219%0.18737%0.37CS..Hα-helixtrans-61.3-42.9179.4178.8172171.700111.6A52 T58 L59 K60 R127 F128A52-E56 WeakPolarHBondContact O-CB 3.28Å; A52-E56 PolarHBondContact O-N 3.36Å; E56-T58 VanDerWaalsContact C-N 3.33Å; E56-T58 PolarHBondContact O-N 2.91Å; E56-L59 PolarHBondContact O-N 2.76Å; E56-K60 HydrophobicContact CG-CD 4.39Å; E56-K60 WeakPolarHBondContact O-CG 3.34Å; E56-K60 PolarHBondContact O-N 2.9Å; E56-K60 WeakPolarHBondContact OE1-CE 3.48Å; E56-K60 IonicContact OE1-NZ 2.79Å; E56-K60 PolarHBondContact OE1-NZ 2.96Å; E56-R127 VanDerWaalsContact CD-NH2 3.32Å; E56-R127 IonicContact OE1-CZ 2.89Å; E56-R127 IonicContact OE1-NE 2.67Å; E56-R127 PolarHBondContact OE1-NE 3.18Å; E56-R127 IonicContact OE1-NH2 3.63Å; E56-R127 IonicContact OE2-CZ 3.61Å; E56-R127 IonicContact OE2-NE 3.79Å; E56-R127 IonicContact OE2-NH2 3.53Å; E56-R127 PolarHBondContact OE2-NH2 2.79Å; E56-F128 HydrophobicContact CG-CE1 3.97Å; E56-F128 HydrophobicContact CG-CZ 4.36Å
57K97.7Very high95.7Very high110 Ų11073.2 Ų73.248%0.47838%0.377SS..Hα-helixtrans-60.4-42.7175.1-76.2166.1-169.6163.40111.8D53 D54 I55 K60 R61D53-K57 WeakPolarHBondContact O-CB 3.45Å; D53-K57 WeakPolarHBondContact O-CD 3.4Å; D53-K57 WeakPolarHBondContact O-CG 3.44Å; D53-K57 PolarHBondContact O-N 2.89Å; D54-K57 PolarHBondContact O-N 2.82Å; I55-K57 VanDerWaalsContact C-N 3.35Å; I55-K57 PolarHBondContact O-N 2.93Å; K57-K60 PolarHBondContact O-N 2.98Å; K57-R61 VanDerWaalsContact O-CG 3.32Å; K57-R61 WeakPolarHBondContact O-CG 3.16Å; K57-R61 PolarHBondContact O-N 2.83Å
58T96.5Very high95.9Very high63 Ų6370.7 Ų70.739%0.38737%0.372SS..Hα-helixtrans-66-40.6178.6-62.90000111.5D54 I55 E56 R61 T62D54-T58 WeakPolarHBondContact O-CB 3.42Å; D54-T58 PolarHBondContact O-N 2.71Å; D54-T58 PolarHBondContact O-OG1 2.8Å; I55-T58 PolarHBondContact O-N 3.35Å; E56-T58 VanDerWaalsContact C-N 3.33Å; E56-T58 PolarHBondContact O-N 2.91Å; T58-R61 PolarHBondContact O-N 2.8Å; T58-T62 WeakPolarHBondContact O-CB 3.41Å; T58-T62 PolarHBondContact O-N 2.87Å; T58-T62 PolarHBondContact O-OG1 3.16Å
59L96.6Very high96.3Very high17 Ų1768 Ų689%0.08936%0.359CS..Hα-helixtrans-65-43.9175.4-178.354.5000111.6I55 E56 R61 T62 A63 E101 L103 F128I55-L59 WeakPolarHBondContact O-CB 3.32Å; I55-L59 PolarHBondContact O-N 2.77Å; E56-L59 PolarHBondContact O-N 2.76Å; L59-R61 PolarHBondContact O-N 2.75Å; L59-T62 PolarHBondContact O-N 3.19Å; L59-T62 VanDerWaalsContact O-N 3.16Å; L59-A63 WeakPolarHBondContact O-CB 3.48Å; L59-A63 PolarHBondContact O-N 2.97Å; L59-E101 HydrophobicContact CD1-CB 3.64Å; L59-E101 HydrophobicContact CD1-CG 3.82Å; L59-L103 HydrophobicContact CD2-CD1 4.34Å; L59-F128 HydrophobicContact CB-CE1 4.13Å; L59-F128 HydrophobicContact CD2-CD1 4.11Å; L59-F128 HydrophobicContact CD2-CE1 3.47Å; L59-F128 VanDerWaalsContact CD2-CE1 3.47Å; L59-F128 HydrophobicContact CD2-CZ 3.86Å; L59-F128 HydrophobicContact CG-CD1 3.95Å; L59-F128 HydrophobicContact CG-CE1 3.72Å
60K97.7Very high96.5Very high78 Ų7866.3 Ų66.334%0.33935%0.349SS..Hα-helixtrans-58.6-44174.2-74.5-177.6-171-175.90112.7E56 K57 T62 A63 A64 R127 F128E56-K60 HydrophobicContact CG-CD 4.39Å; E56-K60 WeakPolarHBondContact O-CG 3.34Å; E56-K60 PolarHBondContact O-N 2.9Å; E56-K60 WeakPolarHBondContact OE1-CE 3.48Å; E56-K60 IonicContact OE1-NZ 2.79Å; E56-K60 PolarHBondContact OE1-NZ 2.96Å; K57-K60 PolarHBondContact O-N 2.98Å; K60-T62 VanDerWaalsContact C-N 3.32Å; K60-T62 PolarHBondContact O-N 3.46Å; K60-A63 PolarHBondContact O-N 3.49Å; K60-A64 WeakPolarHBondContact O-CB 3.43Å; K60-A64 PolarHBondContact O-N 3.04Å; K60-R127 WeakPolarHBondContact CE-O 3.39Å; K60-R127 PolarHBondContact NZ-O 2.82Å; K60-F128 HydrophobicContact CG-CD1 3.66Å; K60-F128 HydrophobicContact CG-CE1 4.21Å
61R95.8Very high96.6Very high152 Ų15261.5 Ų61.557%0.57432%0.323SS*.Hα-helixtrans-61.8-42.5175.6-70.7170.4-172147.9-0.1111.4K57 T58 L59 N65K57-R61 VanDerWaalsContact O-CG 3.32Å; K57-R61 WeakPolarHBondContact O-CG 3.16Å; K57-R61 PolarHBondContact O-N 2.83Å; T58-R61 PolarHBondContact O-N 2.8Å; L59-R61 PolarHBondContact O-N 2.75Å; R61-N65 VanDerWaalsContact O-CG 3.31Å; R61-N65 PolarHBondContact O-N 3.4Å; R61-N65 PolarHBondContact O-ND2 2.84Å
62T93.6Very high96.8Very high12 Ų1258.2 Ų58.27%0.07431%0.311CS..Hα-helixtrans-64.9-48178.1-59.50000111.3T58 L59 K60 A64 N65 F66 R99T58-T62 WeakPolarHBondContact O-CB 3.41Å; T58-T62 PolarHBondContact O-N 2.87Å; T58-T62 PolarHBondContact O-OG1 3.16Å; L59-T62 PolarHBondContact O-N 3.19Å; L59-T62 VanDerWaalsContact O-N 3.16Å; K60-T62 VanDerWaalsContact C-N 3.32Å; K60-T62 PolarHBondContact O-N 3.46Å; T62-A64 VanDerWaalsContact C-N 3.32Å; T62-A64 PolarHBondContact O-N 3.42Å; T62-N65 PolarHBondContact O-N 3.44Å; T62-N65 VanDerWaalsContact O-N 3.12Å; T62-F66 HydrophobicContact CG2-CE1 4.05Å; T62-F66 HydrophobicContact CG2-CE2 4.31Å; T62-F66 HydrophobicContact CG2-CZ 3.66Å; T62-R99 HydrophobicContact CG2-CB 4.42Å
63A96.9Very high97Very high6 Ų656 Ų565%0.0529%0.292CS..Hα-helixtrans-58.7-41.9177.600000112.4L59 K60 N65 F66 L89 L130L59-A63 WeakPolarHBondContact O-CB 3.48Å; L59-A63 PolarHBondContact O-N 2.97Å; K60-A63 PolarHBondContact O-N 3.49Å; A63-N65 PolarHBondContact O-N 2.88Å; A63-F66 PolarHBondContact O-N 3.45Å; A63-F66 VanDerWaalsContact O-N 3.17Å; A63-L89 HydrophobicContact CB-CD2 4.04Å; A63-L130 HydrophobicContact CB-CD2 3.89Å; A63-L130 HydrophobicContact CB-CG 4.48Å
64A96.6Very high96.8Very high67 Ų6755.8 Ų55.855%0.55429%0.291SS*.Hα-helixtrans-62.5-27.8177.800000113.5K60 T62 F66K60-A64 WeakPolarHBondContact O-CB 3.43Å; K60-A64 PolarHBondContact O-N 3.04Å; T62-A64 VanDerWaalsContact C-N 3.32Å; T62-A64 PolarHBondContact O-N 3.42Å; A64-F66 VanDerWaalsContact C-N 3.33Å
65N96.2Very high96.4Very high102 Ų10254.6 Ų54.655%0.54528%0.283SS..THydrogen-bonded Turntrans-84.7-3.9179.7-67.4-16.5000113.6R61 T62 A63 T93R61-N65 VanDerWaalsContact O-CG 3.31Å; R61-N65 PolarHBondContact O-N 3.4Å; R61-N65 PolarHBondContact O-ND2 2.84Å; T62-N65 PolarHBondContact O-N 3.44Å; T62-N65 VanDerWaalsContact O-N 3.12Å; A63-N65 PolarHBondContact O-N 2.88Å; N65-T93 HydrophobicContact CB-CG2 4.45Å; N65-T93 WeakPolarHBondContact O-CA 3.25Å
66F98.1Very high96Very high1 Ų152.8 Ų52.80%0.00428%0.277CS..EExtended strand (participates in β ladder)trans-75.9127.3177.1-65.2-35.3000111.2T62 A63 A64 F69 L89 G91 K92 T93 R99 K134T62-F66 HydrophobicContact CG2-CE1 4.05Å; T62-F66 HydrophobicContact CG2-CE2 4.31Å; T62-F66 HydrophobicContact CG2-CZ 3.66Å; A63-F66 PolarHBondContact O-N 3.45Å; A63-F66 VanDerWaalsContact O-N 3.17Å; A64-F66 VanDerWaalsContact C-N 3.33Å; F66-F69 HydrophobicContact CD2-CB 4.3Å; F66-L89 HydrophobicContact CD2-CD1 4.48Å; F66-L89 HydrophobicContact CD2-CD2 4.11Å; F66-L89 HydrophobicContact CD2-CG 4.41Å; F66-L89 HydrophobicContact CE2-CD1 4.42Å; F66-L89 HydrophobicContact CE2-CD2 3.63Å; F66-L89 HydrophobicContact CE2-CG 3.89Å; F66-G91 VanDerWaalsContact CD1-C 3.41Å; F66-G91 VanDerWaalsContact CE1-C 3.41Å; F66-G91 WeakPolarHBondContact CE1-O 3.39Å; F66-K92 CarbonylContact C-O 3.56Å; F66-K92 WeakPolarHBondContact CA-O 3.34Å; F66-T93 HydrophobicContact CD1-CG2 4.11Å; F66-T93 HydrophobicContact CE1-CG2 4.29Å; F66-R99 HydrophobicContact CE1-CB 4.12Å; F66-R99 HydrophobicContact CZ-CB 3.92Å; F66-K134 PolarHBondContact O-NZ 2.94Å
67E97.9Very high95.3Very high116 Ų11655 Ų5554%0.54229%0.293SS..EExtended strand (participates in β ladder)trans-73.4-38.4170.1-72.6-59.4108.300110.3K92 A94 K134E67-K92 PolarHBondContact N-O 2.93Å; E67-A94 HydrophobicContact CG-CB 4.11Å; E67-K134 WeakPolarHBondContact O-CG 3.21Å
68I97.8Very high94.3Very high79 Ų7952.2 Ų52.241%0.40528%0.284SS..EExtended strand (participates in β ladder)trans-148.4149.5177.4-157.5172000109.3G91 K92 K134 S136I68-G91 WeakPolarHBondContact O-CA 3.49Å; I68-K92 HydrophobicContact CG2-CB 4.39Å; I68-K92 PolarHBondContact O-N 3.18Å; I68-K134 WeakPolarHBondContact CA-O 3.48Å; I68-K134 VanDerWaalsContact CG1-O 3.26Å; I68-K134 WeakPolarHBondContact CG1-O 3.39Å; I68-S136 VanDerWaalsContact CD1-CB 3.49Å
69F98.4Very high93.4Very high3 Ų356.5 Ų56.51%0.01331%0.31CS..EExtended strand (participates in β ladder)trans-146.1158.2178.368.9-88.8000112.4F66 L71 L89 R90 M125 L130 K131 K134 L135 S136F66-F69 HydrophobicContact CD2-CB 4.3Å; F69-L71 HydrophobicContact CD2-CD2 4.02Å; F69-L71 HydrophobicContact CD2-CG 4.09Å; F69-L71 HydrophobicContact CE2-CD1 4.08Å; F69-L71 HydrophobicContact CE2-CD2 4.04Å; F69-L71 HydrophobicContact CE2-CG 3.92Å; F69-L89 HydrophobicContact CB-CD1 3.68Å; F69-L89 HydrophobicContact CD2-CD1 3.44Å; F69-L89 VanDerWaalsContact CD2-CD1 3.44Å; F69-L89 HydrophobicContact CE2-CD1 4.3Å; F69-L89 HydrophobicContact CG-CD1 3.75Å; F69-R90 CarbonylContact C-O 3.59Å; F69-R90 VanDerWaalsContact CA-O 3.29Å; F69-R90 WeakPolarHBondContact CA-O 3.27Å; F69-R90 WeakPolarHBondContact CB-O 3.38Å; F69-M125 HydrophobicContact CE2-CE 4.37Å; F69-M125 HydrophobicContact CZ-CE 4.02Å; F69-L130 HydrophobicContact CD1-CD2 3.97Å; F69-L130 HydrophobicContact CD2-CD2 4.42Å; F69-L130 HydrophobicContact CE1-CB 4.18Å; F69-L130 HydrophobicContact CE1-CD2 3.85Å; F69-L130 HydrophobicContact CE2-CB 4.31Å; F69-L130 HydrophobicContact CE2-CD1 4.23Å; F69-L130 HydrophobicContact CE2-CD2 4.31Å; F69-L130 HydrophobicContact CG-CD2 4.27Å; F69-L130 HydrophobicContact CZ-CB 3.78Å; F69-L130 HydrophobicContact CZ-CD1 4.49Å; F69-L130 HydrophobicContact CZ-CD2 4.06Å; F69-L130 HydrophobicContact CZ-CG 4.34Å; F69-K131 VanDerWaalsContact CE1-O 3.28Å; F69-K131 WeakPolarHBondContact CE1-O 3.4Å; F69-K131 VanDerWaalsContact CZ-O 3.3Å; F69-K131 WeakPolarHBondContact CZ-O 3.46Å; F69-K134 HydrophobicContact CD1-CB 3.87Å; F69-K134 WeakPolarHBondContact CD1-O 3.47Å; F69-K134 HydrophobicContact CE1-CB 3.63Å; F69-K134 PolarHBondContact N-O 3.47Å; F69-L135 HydrophobicContact CD2-CD1 3.88Å; F69-L135 HydrophobicContact CE2-CB 4.2Å; F69-L135 HydrophobicContact CE2-CD1 3.51Å; F69-L135 HydrophobicContact CE2-CG 4.45Å; F69-L135 HydrophobicContact CZ-CB 4.08Å; F69-L135 HydrophobicContact CZ-CD1 4.25Å; F69-L135 CarbonylContact O-C 3.51Å; F69-L135 WeakPolarHBondContact O-CA 3.34Å; F69-S136 PolarHBondContact O-N 3.31Å; F69-S136 PolarHBondContact O-OG 3.4Å
70S98.5Very high92.6Very high35 Ų3560.5 Ų60.525%0.24534%0.335CS..EExtended strand (participates in β ladder)trans-120.5153.8170.957.20000110R90 G137S70-R90 PolarHBondContact N-O 3.48Å; S70-R90 PolarHBondContact O-N 3.01Å; S70-R90 PolarHBondContact OG-O 3.34Å; S70-G137 CarbonylContact C-O 3.55Å; S70-G137 VanDerWaalsContact CA-O 3.25Å; S70-G137 WeakPolarHBondContact CA-O 3.3Å; S70-G137 WeakPolarHBondContact CB-O 3.38Å
71L98.6Very high91.7Very high2 Ų263.1 Ų63.11%0.0135%0.353CS..EExtended strand (participates in β ladder)trans-114.1146.6175.9-60.8174.5000110.4F69 I87 F88 L89 L103 L121 M125 L135 G137 L138 T139F69-L71 HydrophobicContact CD2-CD2 4.02Å; F69-L71 HydrophobicContact CD2-CG 4.09Å; F69-L71 HydrophobicContact CE2-CD1 4.08Å; F69-L71 HydrophobicContact CE2-CD2 4.04Å; F69-L71 HydrophobicContact CE2-CG 3.92Å; L71-I87 HydrophobicContact CD2-CG2 4.3Å; L71-F88 CarbonylContact C-O 3.6Å; L71-F88 VanDerWaalsContact CA-O 3.28Å; L71-F88 WeakPolarHBondContact CA-O 3.16Å; L71-L89 HydrophobicContact CD2-CB 4.27Å; L71-L89 HydrophobicContact CD2-CD1 3.73Å; L71-L103 HydrophobicContact CD2-CD2 4.3Å; L71-L121 HydrophobicContact CD1-CD1 3.75Å; L71-L121 HydrophobicContact CD1-CD2 4.4Å; L71-L121 HydrophobicContact CD1-CG 4.32Å; L71-M125 HydrophobicContact CD1-CG 4.01Å; L71-M125 HydrophobicContact CD1-SD 3.65Å; L71-L135 HydrophobicContact CB-CD1 4.36Å; L71-L135 HydrophobicContact CD1-CD1 3.96Å; L71-L135 HydrophobicContact CG-CD1 3.79Å; L71-G137 PolarHBondContact N-O 2.97Å; L71-L138 HydrophobicContact CB-CD1 3.93Å; L71-L138 CarbonylContact O-C 3.51Å; L71-L138 VanDerWaalsContact O-CA 3.29Å; L71-L138 WeakPolarHBondContact O-CA 3.48Å; L71-T139 PolarHBondContact O-N 3.42Å
72A98.2Very high91.1Very high34 Ų3457.7 Ų57.728%0.28134%0.336SS..EExtended strand (participates in β ladder)trans-121.7132.3163.200000109.5I87 F88 T139A72-I87 CarbonylContact O-C 3.54Å; A72-I87 WeakPolarHBondContact O-CA 3.43Å; A72-F88 HydrophobicContact CB-CB 4.22Å; A72-F88 PolarHBondContact N-O 2.95Å; A72-F88 PolarHBondContact O-N 3.2Å; A72-T139 CarbonylContact C-O 3.54Å; A72-T139 VanDerWaalsContact CA-O 3.24Å; A72-T139 WeakPolarHBondContact CA-O 3.02Å
73C96.5Very high90.8Very high3 Ų357.9 Ų57.92%0.0234%0.339CS..EExtended strand (participates in β ladder)trans-119.9127.3-178.3-66.80000109.6L85 A86 T139 T140 L153C73-L85 HydrophobicContact CB-CD1 4.15Å; C73-A86 WeakPolarHBondContact CA-O 3.24Å; C73-T139 PolarHBondContact N-O 3.42Å; C73-T140 HydrophobicContact CB-CG2 4.44Å; C73-T140 WeakPolarHBondContact O-CA 3.28Å; C73-L153 HydrophobicContact CB-CD2 3.78Å
74D93.1Very high90.6Very high66 Ų6659.2 Ų59.235%0.35334%0.344SS..EExtended strand (participates in β ladder)trans-132135.6177.6-171.742.3000110A86D74-A86 PolarHBondContact N-O 3.35Å; D74-A86 PolarHBondContact O-N 3Å
75E88.9Confident90.5Very high61 Ų6156 Ų5629%0.28532%0.318SS..EExtended strand (participates in β ladder)trans-93.1116.9173.8-173.2-173157.300108.6A83 T112 M146E75-A83 HydrophobicContact CG-CB 4.45Å; E75-T112 HydrophobicContact CG-CG2 4.44Å; E75-T112 WeakPolarHBondContact OE1-CB 3.49Å; E75-T112 WeakPolarHBondContact OE1-CG2 3.48Å; E75-T112 PolarHBondContact OE1-OG1 2.98Å; E75-T112 WeakPolarHBondContact OE2-CB 3.3Å; E75-M146 HydrophobicContact CB-CE 4.08Å
76T86.6Confident90.5Very high62 Ų6251.5 Ų51.538%0.3830%0.295SS..EExtended strand (participates in β ladder)trans-118.6170176.9-165.50000110.7A83 Q84T76-A83 CarbonylContact O-C 3.6Å; T76-A83 WeakPolarHBondContact O-CA 3.49Å; T76-Q84 HydrophobicContact CG2-CB 3.89Å; T76-Q84 PolarHBondContact N-O 2.61Å; T76-Q84 PolarHBondContact O-N 3.45Å
77T81.1Confident90.5Very high86 Ų8651.4 Ų51.453%0.52829%0.294SS..EExtended strand (participates in β ladder)trans-118.3136.7174.853.90000110.4T82T77-T82 WeakPolarHBondContact CA-O 3.41Å
78D77.1Confident90.5Very high52 Ų5249.7 Ų49.728%0.27829%0.285SS..  trans-80.8178.6173.669.926000112.2T80 N81 T82 Q84D78-T80 PolarHBondContact O-N 2.92Å; D78-T80 VanDerWaalsContact O-N 3.09Å; D78-T80 VanDerWaalsContact OD1-CA 3.28Å; D78-T80 WeakPolarHBondContact OD1-CA 3.05Å; D78-T80 WeakPolarHBondContact OD1-CB 3.1Å; D78-T80 PolarHBondContact OD1-N 2.91Å; D78-T80 PolarHBondContact OD1-OG1 2.67Å; D78-T80 PolarHBondContact OD2-OG1 2.9Å; D78-N81 PolarHBondContact O-N 3.32Å; D78-N81 PolarHBondContact OD1-N 2.86Å; D78-T82 PolarHBondContact N-O 3.01Å; D78-T82 PolarHBondContact OD1-N 3.33Å; D78-T82 WeakPolarHBondContact OD2-CB 3.42Å; D78-Q84 HydrophobicContact CB-CG 4.07Å; D78-Q84 PolarHBondContact OD2-NE2 2.97Å
79T77.6Confident90.6Very high152 Ų15246 Ų4693%0.93327%0.266SS*.THydrogen-bonded Turntrans-64.7-14.1-179.653.80000114.1
80T79.5Confident90.6Very high101 Ų10152.1 Ų52.162%0.6229%0.289SS*.THydrogen-bonded Turntrans-95.86.3174.969.30000112.5D78 T82D78-T80 PolarHBondContact O-N 2.92Å; D78-T80 VanDerWaalsContact O-N 3.09Å; D78-T80 VanDerWaalsContact OD1-CA 3.28Å; D78-T80 WeakPolarHBondContact OD1-CA 3.05Å; D78-T80 WeakPolarHBondContact OD1-CB 3.1Å; D78-T80 PolarHBondContact OD1-N 2.91Å; D78-T80 PolarHBondContact OD1-OG1 2.67Å; D78-T80 PolarHBondContact OD2-OG1 2.9Å; T80-T82 PolarHBondContact O-N 2.84Å; T80-T82 PolarHBondContact OG1-OG1 3.05Å; T80-T82 VanDerWaalsContact OG1-OG1 3.05Å
81N77.9Confident90.5Very high133 Ų13350.7 Ų50.771%0.71128%0.28SS*.SBendtrans62.524-175.2-157.668.2000113D78D78-N81 PolarHBondContact O-N 3.32Å; D78-N81 PolarHBondContact OD1-N 2.86Å
82T84.7Confident90.5Very high38 Ų3854.2 Ų54.223%0.23330%0.295CS..  trans-83.5131.2169.1-55.30000108.2T77 D78 T80T77-T82 WeakPolarHBondContact CA-O 3.41Å; D78-T82 PolarHBondContact N-O 3.01Å; D78-T82 PolarHBondContact OD1-N 3.33Å; D78-T82 WeakPolarHBondContact OD2-CB 3.42Å; T80-T82 PolarHBondContact O-N 2.84Å; T80-T82 PolarHBondContact OG1-OG1 3.05Å; T80-T82 VanDerWaalsContact OG1-OG1 3.05Å
83A87.7Confident90.4Very high16 Ų1653.1 Ų53.113%0.13229%0.285CS..EExtended strand (participates in β ladder)trans-67.5138.7174.900000110.4E75 T76 M108 T112E75-A83 HydrophobicContact CG-CB 4.45Å; T76-A83 CarbonylContact O-C 3.6Å; T76-A83 WeakPolarHBondContact O-CA 3.49Å; A83-M108 HydrophobicContact CB-CB 3.96Å; A83-M108 WeakPolarHBondContact O-CB 3.45Å; A83-M108 PolarHBondContact O-N 3.15Å; A83-T112 HydrophobicContact CB-CG2 3.79Å
84Q92.5Very high90.3Very high34 Ų3455.7 Ų55.716%0.15931%0.307CS..EExtended strand (participates in β ladder)trans-131.3126.9-178.3-61.3-71.7-23.900107.8T76 D78 E106T76-Q84 HydrophobicContact CG2-CB 3.89Å; T76-Q84 PolarHBondContact N-O 2.61Å; T76-Q84 PolarHBondContact O-N 3.45Å; D78-Q84 HydrophobicContact CB-CG 4.07Å; D78-Q84 PolarHBondContact OD2-NE2 2.97Å; Q84-E106 CarbonylContact C-O 3.5Å; Q84-E106 WeakPolarHBondContact CA-O 3.31Å
85L94.4Very high90.4Very high1 Ų159.1 Ų59.11%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-87113.2171.7178.467000109C73 I87 L105 E106 M108 I117 K120 M146C73-L85 HydrophobicContact CB-CD1 4.15Å; L85-I87 HydrophobicContact CD2-CD1 3.88Å; L85-I87 HydrophobicContact CD2-CG1 4.01Å; L85-I87 HydrophobicContact CG-CD1 4.29Å; L85-I87 HydrophobicContact CG-CG1 3.9Å; L85-L105 WeakPolarHBondContact O-CA 3.46Å; L85-E106 HydrophobicContact CB-CB 4.31Å; L85-E106 PolarHBondContact N-O 3.06Å; L85-E106 PolarHBondContact O-N 3.33Å; L85-M108 HydrophobicContact CB-CG 4.29Å; L85-M108 HydrophobicContact CB-SD 4.28Å; L85-I117 HydrophobicContact CD1-CG2 3.76Å; L85-I117 HydrophobicContact CD2-CG2 3.72Å; L85-I117 HydrophobicContact CG-CG2 4.38Å; L85-K120 HydrophobicContact CD2-CB 3.85Å; L85-M146 HydrophobicContact CD1-CE 3.98Å
86A95.7Very high90.6Very high6 Ų663.4 Ų63.45%0.0534%0.338CS..EExtended strand (participates in β ladder)trans-88.8120.8170.500000110.2C73 D74 F88 L105C73-A86 WeakPolarHBondContact CA-O 3.24Å; D74-A86 PolarHBondContact N-O 3.35Å; D74-A86 PolarHBondContact O-N 3Å; A86-F88 HydrophobicContact CB-CE2 3.8Å; A86-F88 HydrophobicContact CB-CZ 4.33Å; A86-L105 HydrophobicContact CB-CD2 3.62Å
87I97.8Very high91Very high0 Ų065.3 Ų65.30%034%0.343CS..EExtended strand (participates in β ladder)trans-112.3117.1178.4-55170.8000108L71 A72 L85 L103 S104 L121L71-I87 HydrophobicContact CD2-CG2 4.3Å; A72-I87 CarbonylContact O-C 3.54Å; A72-I87 WeakPolarHBondContact O-CA 3.43Å; L85-I87 HydrophobicContact CD2-CD1 3.88Å; L85-I87 HydrophobicContact CD2-CG1 4.01Å; L85-I87 HydrophobicContact CG-CD1 4.29Å; L85-I87 HydrophobicContact CG-CG1 3.9Å; I87-L103 HydrophobicContact CB-CB 4.31Å; I87-L103 HydrophobicContact CG2-CB 4.1Å; I87-L103 HydrophobicContact CG2-CD2 3.87Å; I87-L103 WeakPolarHBondContact O-CA 3.33Å; I87-L103 VanDerWaalsContact O-CB 3.24Å; I87-L103 WeakPolarHBondContact O-CB 3.43Å; I87-L103 PolarHBondContact O-N 2.81Å; I87-S104 WeakPolarHBondContact CD1-OG 3.48Å; I87-S104 PolarHBondContact N-O 2.82Å; I87-S104 PolarHBondContact O-N 3.06Å; I87-L121 HydrophobicContact CD1-CB 4.48Å; I87-L121 HydrophobicContact CD1-CD1 3.74Å; I87-L121 HydrophobicContact CG1-CD1 4.14Å; I87-L121 HydrophobicContact CG2-CD1 3.74Å
88F98.4Very high91.7Very high80 Ų8065 Ų6535%0.35134%0.341SS..EExtended strand (participates in β ladder)trans-101137.3174.1-60.5-92.9000109.6L71 A72 A86 E101 L102L71-F88 CarbonylContact C-O 3.6Å; L71-F88 VanDerWaalsContact CA-O 3.28Å; L71-F88 WeakPolarHBondContact CA-O 3.16Å; A72-F88 HydrophobicContact CB-CB 4.22Å; A72-F88 PolarHBondContact N-O 2.95Å; A72-F88 PolarHBondContact O-N 3.2Å; A86-F88 HydrophobicContact CB-CE2 3.8Å; A86-F88 HydrophobicContact CB-CZ 4.33Å; F88-E101 WeakPolarHBondContact CA-O 3.32Å; F88-L102 HydrophobicContact CD1-CB 4.49Å; F88-L102 HydrophobicContact CD1-CD1 4.09Å; F88-L102 HydrophobicContact CE1-CB 4.48Å; F88-L102 HydrophobicContact CE1-CD1 3.84Å; F88-L102 HydrophobicContact CE2-CD1 4.48Å; F88-L102 HydrophobicContact CZ-CD1 4.05Å
89L98.4Very high92.6Very high1 Ų167.6 Ų67.61%0.00535%0.347CS..EExtended strand (participates in β ladder)trans-109.5127175.8172.965.7000108.8A63 F66 F69 L71 E100 E101 L103 L130A63-L89 HydrophobicContact CB-CD2 4.04Å; F66-L89 HydrophobicContact CD2-CD1 4.48Å; F66-L89 HydrophobicContact CD2-CD2 4.11Å; F66-L89 HydrophobicContact CD2-CG 4.41Å; F66-L89 HydrophobicContact CE2-CD1 4.42Å; F66-L89 HydrophobicContact CE2-CD2 3.63Å; F66-L89 HydrophobicContact CE2-CG 3.89Å; F69-L89 HydrophobicContact CB-CD1 3.68Å; F69-L89 HydrophobicContact CD2-CD1 3.44Å; F69-L89 VanDerWaalsContact CD2-CD1 3.44Å; F69-L89 HydrophobicContact CE2-CD1 4.3Å; F69-L89 HydrophobicContact CG-CD1 3.75Å; L71-L89 HydrophobicContact CD2-CB 4.27Å; L71-L89 HydrophobicContact CD2-CD1 3.73Å; L89-E100 CarbonylContact O-C 3.5Å; L89-E100 VanDerWaalsContact O-CA 3.3Å; L89-E100 WeakPolarHBondContact O-CA 3.46Å; L89-E101 PolarHBondContact N-O 2.79Å; L89-E101 PolarHBondContact O-N 3.37Å; L89-L103 HydrophobicContact CB-CB 4.09Å; L89-L103 HydrophobicContact CB-CD1 4.22Å; L89-L103 HydrophobicContact CD2-CD1 3.92Å; L89-L130 HydrophobicContact CD1-CD1 3.92Å; L89-L130 HydrophobicContact CD1-CD2 4.22Å; L89-L130 HydrophobicContact CD2-CD1 4.07Å; L89-L130 HydrophobicContact CD2-CD2 4.24Å
90R98.4Very high93.5Very high132 Ų13266.1 Ų66.150%0.49833%0.329SS..EExtended strand (participates in β ladder)trans-124.3121168.4-177.1176.1177.5169.2-3.2109.5F69 S70 T98 R99 E100F69-R90 CarbonylContact C-O 3.59Å; F69-R90 VanDerWaalsContact CA-O 3.29Å; F69-R90 WeakPolarHBondContact CA-O 3.27Å; F69-R90 WeakPolarHBondContact CB-O 3.38Å; S70-R90 PolarHBondContact N-O 3.48Å; S70-R90 PolarHBondContact O-N 3.01Å; S70-R90 PolarHBondContact OG-O 3.34Å; R90-T98 HydrophobicContact CG-CG2 4.11Å; R90-R99 CarbonylContact C-O 3.57Å; R90-R99 VanDerWaalsContact CA-O 3.31Å; R90-R99 WeakPolarHBondContact CA-O 3.38Å; R90-E100 HydrophobicContact CB-CB 4.42Å; R90-E100 HydrophobicContact CB-CG 4.25Å; R90-E100 HydrophobicContact CG-CB 4.31Å; R90-E100 IonicContact NH1-OE2 3.55Å
91G98.1Very high94.3Very high4 Ų465.3 Ų65.34%0.04132%0.319CS..EExtended strand (participates in β ladder)trans-135.9164.5-175.100000113.4F66 I68 T98 R99F66-G91 VanDerWaalsContact CD1-C 3.41Å; F66-G91 VanDerWaalsContact CE1-C 3.41Å; F66-G91 WeakPolarHBondContact CE1-O 3.39Å; I68-G91 WeakPolarHBondContact O-CA 3.49Å; G91-T98 WeakPolarHBondContact O-CA 3.42Å; G91-R99 PolarHBondContact N-O 2.85Å; G91-R99 PolarHBondContact O-N 3.12Å
92K97.9Very high95.2Very high76 Ų7662.8 Ų62.833%0.3330%0.304SS..EExtended strand (participates in β ladder)trans-126.2131.5179.8-172.4-176.7174-171.30110.6F66 E67 I68 E97F66-K92 CarbonylContact C-O 3.56Å; F66-K92 WeakPolarHBondContact CA-O 3.34Å; E67-K92 PolarHBondContact N-O 2.93Å; I68-K92 HydrophobicContact CG2-CB 4.39Å; I68-K92 PolarHBondContact O-N 3.18Å; K92-E97 CarbonylContact C-O 3.52Å; K92-E97 VanDerWaalsContact CA-O 3.27Å; K92-E97 WeakPolarHBondContact CA-O 3.24Å
93T95.7Very high95.8Very high12 Ų1261.2 Ų61.27%0.07430%0.295CS..EExtended strand (participates in β ladder)trans-84.2173.2177.4770000111.9N65 F66 E95 F96 E97N65-T93 HydrophobicContact CB-CG2 4.45Å; N65-T93 WeakPolarHBondContact O-CA 3.25Å; F66-T93 HydrophobicContact CD1-CG2 4.11Å; F66-T93 HydrophobicContact CE1-CG2 4.29Å; T93-E95 WeakPolarHBondContact CB-OE2 3.42Å; T93-E95 PolarHBondContact O-N 3.39Å; T93-E95 PolarHBondContact OG1-N 2.98Å; T93-E95 PolarHBondContact OG1-OE2 3.09Å; T93-F96 PolarHBondContact O-N 2.93Å; T93-E97 HydrophobicContact CG2-CB 4.34Å; T93-E97 PolarHBondContact N-O 2.88Å; T93-E97 PolarHBondContact OG1-N 3.29Å
94A94.8Very high96.2Very high57 Ų5760.9 Ų60.947%0.47129%0.292SS..THydrogen-bonded Turntrans-60.8-29.8173.900000112.7E67 F96E67-A94 HydrophobicContact CG-CB 4.11Å; A94-F96 VanDerWaalsContact O-CD2 3.25Å; A94-F96 WeakPolarHBondContact O-CD2 3.43Å; A94-F96 WeakPolarHBondContact O-CE2 3.38Å; A94-F96 PolarHBondContact O-N 3.15Å
95E95.1Very high96.2Very high138 Ų13864.1 Ų64.165%0.64531%0.309SS*.THydrogen-bonded Turntrans-80.59.1175.6-56.571-151.300112.8T93 E97T93-E95 WeakPolarHBondContact CB-OE2 3.42Å; T93-E95 PolarHBondContact O-N 3.39Å; T93-E95 PolarHBondContact OG1-N 2.98Å; T93-E95 PolarHBondContact OG1-OE2 3.09Å; E95-E97 HydrophobicContact CB-CG 4.42Å; E95-E97 PolarHBondContact O-N 3.36Å
96F92.4Very high96.2Very high151 Ų15165.7 Ų65.766%0.66232%0.317SS*.  trans65.112-178.8-61-109.7000114.3T93 A94T93-F96 PolarHBondContact O-N 2.93Å; A94-F96 VanDerWaalsContact O-CD2 3.25Å; A94-F96 WeakPolarHBondContact O-CD2 3.43Å; A94-F96 WeakPolarHBondContact O-CE2 3.38Å; A94-F96 PolarHBondContact O-N 3.15Å
97E95.2Very high96Very high102 Ų10266.6 Ų66.648%0.47732%0.324SS..  trans-68.4132.8170.6-64.1-169.6174.200109.7K92 T93 E95 R99K92-E97 CarbonylContact C-O 3.52Å; K92-E97 VanDerWaalsContact CA-O 3.27Å; K92-E97 WeakPolarHBondContact CA-O 3.24Å; T93-E97 HydrophobicContact CG2-CB 4.34Å; T93-E97 PolarHBondContact N-O 2.88Å; T93-E97 PolarHBondContact OG1-N 3.29Å; E95-E97 HydrophobicContact CB-CG 4.42Å; E95-E97 PolarHBondContact O-N 3.36Å; E97-R99 IonicContact OE2-NH2 3.52Å
98T96Very high95.6Very high79 Ų7967.3 Ų67.349%0.48533%0.327SS..EExtended strand (participates in β ladder)trans-105.1135.9174.5-56.90000109.3R90 G91R90-T98 HydrophobicContact CG-CG2 4.11Å; G91-T98 WeakPolarHBondContact O-CA 3.42Å
99R96.3Very high94.8Very high106 Ų10671.1 Ų71.140%0.435%0.346SS..EExtended strand (participates in β ladder)trans-131.4147.1172.1-64-173.1-175.6-168.41.4110.2T62 F66 R90 G91 E97T62-R99 HydrophobicContact CG2-CB 4.42Å; F66-R99 HydrophobicContact CE1-CB 4.12Å; F66-R99 HydrophobicContact CZ-CB 3.92Å; R90-R99 CarbonylContact C-O 3.57Å; R90-R99 VanDerWaalsContact CA-O 3.31Å; R90-R99 WeakPolarHBondContact CA-O 3.38Å; G91-R99 PolarHBondContact N-O 2.85Å; G91-R99 PolarHBondContact O-N 3.12Å; E97-R99 IonicContact OE2-NH2 3.52Å
100E97Very high93.6Very high121 Ų12176.2 Ų76.257%0.56538%0.382SS*.EExtended strand (participates in β ladder)trans-129.2128.6177.6-174175.5124.800107.8L89 R90L89-E100 CarbonylContact O-C 3.5Å; L89-E100 VanDerWaalsContact O-CA 3.3Å; L89-E100 WeakPolarHBondContact O-CA 3.46Å; R90-E100 HydrophobicContact CB-CB 4.42Å; R90-E100 HydrophobicContact CB-CG 4.25Å; R90-E100 HydrophobicContact CG-CB 4.31Å; R90-E100 IonicContact NH1-OE2 3.55Å
101E95.9Very high92.8Very high85 Ų8572.3 Ų72.340%0.39737%0.373SS..EExtended strand (participates in β ladder)trans-143.1150.3-172.6-63.3-67.6175.800109.9L59 F88 L89 L103L59-E101 HydrophobicContact CD1-CB 3.64Å; L59-E101 HydrophobicContact CD1-CG 3.82Å; F88-E101 WeakPolarHBondContact CA-O 3.32Å; L89-E101 PolarHBondContact N-O 2.79Å; L89-E101 PolarHBondContact O-N 3.37Å; E101-L103 PolarHBondContact O-N 3.32Å
102L96.5Very high92.1Very high79 Ų7974.3 Ų74.341%0.41438%0.384SS..EExtended strand (participates in β ladder)trans-74.9113.4165.4178.166.3000108.1F88 L105F88-L102 HydrophobicContact CD1-CB 4.49Å; F88-L102 HydrophobicContact CD1-CD1 4.09Å; F88-L102 HydrophobicContact CE1-CB 4.48Å; F88-L102 HydrophobicContact CE1-CD1 3.84Å; F88-L102 HydrophobicContact CE2-CD1 4.48Å; F88-L102 HydrophobicContact CZ-CD1 4.05Å; L102-L105 HydrophobicContact CD1-CD2 4.39Å; L102-L105 HydrophobicContact CD1-CG 4.48Å; L102-L105 HydrophobicContact CD2-CD1 4.22Å; L102-L105 HydrophobicContact CD2-CG 4.11Å
103L97.3Very high91.7Very high6 Ų678.3 Ų78.33%0.03140%0.397CS..EExtended strand (participates in β ladder)trans-73.1-53.1-178.3-170.365.1000111L59 L71 I87 L89 E101 S124 F128 L130L59-L103 HydrophobicContact CD2-CD1 4.34Å; L71-L103 HydrophobicContact CD2-CD2 4.3Å; I87-L103 HydrophobicContact CB-CB 4.31Å; I87-L103 HydrophobicContact CG2-CB 4.1Å; I87-L103 HydrophobicContact CG2-CD2 3.87Å; I87-L103 WeakPolarHBondContact O-CA 3.33Å; I87-L103 VanDerWaalsContact O-CB 3.24Å; I87-L103 WeakPolarHBondContact O-CB 3.43Å; I87-L103 PolarHBondContact O-N 2.81Å; L89-L103 HydrophobicContact CB-CB 4.09Å; L89-L103 HydrophobicContact CB-CD1 4.22Å; L89-L103 HydrophobicContact CD2-CD1 3.92Å; E101-L103 PolarHBondContact O-N 3.32Å; L103-S124 WeakPolarHBondContact CD2-OG 3.18Å; L103-F128 HydrophobicContact CD1-CB 3.8Å; L103-F128 HydrophobicContact CD1-CD1 3.95Å; L103-F128 HydrophobicContact CD1-CD2 3.3Å; L103-F128 HydrophobicContact CD1-CE1 4.38Å; L103-F128 HydrophobicContact CD1-CE2 3.81Å; L103-F128 HydrophobicContact CD1-CG 3.39Å; L103-F128 HydrophobicContact CD1-CZ 4.31Å; L103-F128 HydrophobicContact CD2-CD2 4.31Å; L103-F128 HydrophobicContact CG-CD2 3.61Å; L103-F128 HydrophobicContact CG-CE2 3.9Å; L103-F128 HydrophobicContact CG-CG 4.22Å; L103-F128 WeakPolarHBondContact O-CE2 3.4Å; L103-F128 WeakPolarHBondContact O-CZ 3.43Å; L103-L130 HydrophobicContact CD1-CD1 4.04Å; L103-L130 HydrophobicContact CD2-CD1 3.68Å
104S95.7Very high91.5Very high9 Ų977.8 Ų77.86%0.06339%0.394CS..EExtended strand (participates in β ladder)trans-160.6155.8-179.259.60000112I87 E106 S124I87-S104 WeakPolarHBondContact CD1-OG 3.48Å; I87-S104 PolarHBondContact N-O 2.82Å; I87-S104 PolarHBondContact O-N 3.06Å; S104-E106 WeakPolarHBondContact CB-OE1 3.37Å; S104-S124 WeakPolarHBondContact CB-OG 3.49Å; S104-S124 WeakPolarHBondContact OG-CB 3.32Å; S104-S124 PolarHBondContact OG-OG 3.13Å
105L94.1Very high91.5Very high101 Ų10179.2 Ų79.253%0.52939%0.391SS..EExtended strand (participates in β ladder)trans-113.7115.5162.6-70.9170.3000107.2L85 A86 L102L85-L105 WeakPolarHBondContact O-CA 3.46Å; A86-L105 HydrophobicContact CB-CD2 3.62Å; L102-L105 HydrophobicContact CD1-CD2 4.39Å; L102-L105 HydrophobicContact CD1-CG 4.48Å; L102-L105 HydrophobicContact CD2-CD1 4.22Å; L102-L105 HydrophobicContact CD2-CG 4.11Å
106E93.2Very high91.4Very high35 Ų3574.4 Ų74.416%0.16437%0.37CS..EExtended strand (participates in β ladder)trans-112.2119.1-174.8-64.6-62.8148.300110.6Q84 L85 S104 K120Q84-E106 CarbonylContact C-O 3.5Å; Q84-E106 WeakPolarHBondContact CA-O 3.31Å; L85-E106 HydrophobicContact CB-CB 4.31Å; L85-E106 PolarHBondContact N-O 3.06Å; L85-E106 PolarHBondContact O-N 3.33Å; S104-E106 WeakPolarHBondContact CB-OE1 3.37Å; E106-K120 HydrophobicContact CB-CB 4.21Å; E106-K120 HydrophobicContact CB-CD 4.25Å; E106-K120 HydrophobicContact CB-CG 4.3Å; E106-K120 HydrophobicContact CG-CB 4.38Å
107A91.2Very high91.5Very high24 Ų2467.2 Ų67.220%0.19834%0.338CS..EExtended strand (participates in β ladder)trans-69.3134.8178.200000111.6
108M89.9Confident91.5Very high15 Ų1564 Ų647%0.07432%0.323CS..EExtended strand (participates in β ladder)trans-109.892.8-179.4-57.8-62.2-70.600109.3A83 L85 S110 T111 T112 D116 I117 K120A83-M108 HydrophobicContact CB-CB 3.96Å; A83-M108 WeakPolarHBondContact O-CB 3.45Å; A83-M108 PolarHBondContact O-N 3.15Å; L85-M108 HydrophobicContact CB-CG 4.29Å; L85-M108 HydrophobicContact CB-SD 4.28Å; M108-S110 PolarHBondContact O-N 3.32Å; M108-T111 WeakPolarHBondContact CE-O 3.44Å; M108-T112 HydrophobicContact CB-CG2 3.85Å; M108-T112 HydrophobicContact CE-CG2 4.41Å; M108-T112 HydrophobicContact CG-CG2 4.22Å; M108-D116 HydrophobicContact CE-CB 3.63Å; M108-I117 HydrophobicContact CE-CG1 3.94Å; M108-K120 HydrophobicContact CE-CG 4.46Å; M108-K120 HydrophobicContact SD-CB 4.49Å; M108-K120 HydrophobicContact SD-CG 3.65Å
109H80.7Confident91.5Very high161 Ų16165.9 Ų65.975%0.74533%0.326SS*.SBendtrans-81-9.1-167.8-66.8-51.5000116.1
110S74.7Confident91.5Very high108 Ų10863.6 Ų63.676%0.75532%0.319SS*.SBendtrans-140-58.4-17352.50000113.5M108M108-S110 PolarHBondContact O-N 3.32Å
111T81.1Confident91.5Very high50 Ų5057.8 Ų57.831%0.30729%0.292SS..  trans-140.3146.5-171.7470000109.2M108 D116M108-T111 WeakPolarHBondContact CE-O 3.44Å; T111-D116 VanDerWaalsContact C-OD2 3.24Å; T111-D116 WeakPolarHBondContact CB-OD2 3.45Å; T111-D116 VanDerWaalsContact O-OD2 3.14Å; T111-D116 PolarHBondContact OG1-OD1 3.08Å; T111-D116 PolarHBondContact OG1-OD2 2.72Å
112T82.5Confident91.6Very high45 Ų4555 Ų5528%0.27628%0.281SS..  trans-114.641.6177.9530000109.2E75 A83 M108 A145E75-T112 HydrophobicContact CG-CG2 4.44Å; E75-T112 WeakPolarHBondContact OE1-CB 3.49Å; E75-T112 WeakPolarHBondContact OE1-CG2 3.48Å; E75-T112 PolarHBondContact OE1-OG1 2.98Å; E75-T112 WeakPolarHBondContact OE2-CB 3.3Å; A83-T112 HydrophobicContact CB-CG2 3.79Å; M108-T112 HydrophobicContact CB-CG2 3.85Å; M108-T112 HydrophobicContact CE-CG2 4.41Å; M108-T112 HydrophobicContact CG-CG2 4.22Å; T112-A145 WeakPolarHBondContact O-CB 3.34Å
113R90Very high91.6Very high160 Ų16055 Ų5560%0.60428%0.281SS*.  trans-72.7156.4175.1-60.9173.4176.7-176.72.3108.6E115 D116 I117R113-E115 PolarHBondContact O-N 3.01Å; R113-E115 VanDerWaalsContact O-N 3.09Å; R113-D116 VanDerWaalsContact CB-OD2 3.27Å; R113-D116 WeakPolarHBondContact CB-OD2 3.41Å; R113-D116 PolarHBondContact N-OD2 3.07Å; R113-D116 WeakPolarHBondContact O-CB 3.41Å; R113-D116 PolarHBondContact O-N 3.23Å; R113-I117 WeakPolarHBondContact O-CG1 3.44Å; R113-I117 PolarHBondContact O-N 3.14Å
114G92.2Very high91.7Very high2 Ų254.8 Ų54.82%0.02128%0.279CS..Hα-helixtrans-56.8-29.4178.300000113.7F118 A145 K151G114-F118 VanDerWaalsContact O-CB 3.22Å; G114-F118 WeakPolarHBondContact O-CB 3.48Å; G114-F118 PolarHBondContact O-N 3.09Å; G114-A145 WeakPolarHBondContact CA-O 3.28Å; G114-K151 WeakPolarHBondContact CA-O 3.24Å
115E93.8Very high91.8Very high87 Ų8754.5 Ų54.541%0.40728%0.277SS..Hα-helixtrans-64.6-47.4173.6-67.4167.8-171.500111.7R113 F118 E119 F156R113-E115 PolarHBondContact O-N 3.01Å; R113-E115 VanDerWaalsContact O-N 3.09Å; E115-F118 PolarHBondContact O-N 2.96Å; E115-E119 PolarHBondContact O-N 3.43Å; E115-F156 HydrophobicContact CB-CE2 4.24Å; E115-F156 HydrophobicContact CB-CZ 4.37Å; E115-F156 HydrophobicContact CG-CE1 4.1Å; E115-F156 HydrophobicContact CG-CE2 3.45Å; E115-F156 VanDerWaalsContact CG-CE2 3.45Å; E115-F156 HydrophobicContact CG-CZ 3.2Å
116D93Very high91.9Very high36 Ų3655.9 Ų55.919%0.19328%0.281CS..Hα-helixtrans-64.7-42.7179.6-49.7-48.6000110.9M108 T111 R113 F118 E119 K120M108-D116 HydrophobicContact CE-CB 3.63Å; T111-D116 VanDerWaalsContact C-OD2 3.24Å; T111-D116 WeakPolarHBondContact CB-OD2 3.45Å; T111-D116 VanDerWaalsContact O-OD2 3.14Å; T111-D116 PolarHBondContact OG1-OD1 3.08Å; T111-D116 PolarHBondContact OG1-OD2 2.72Å; R113-D116 VanDerWaalsContact CB-OD2 3.27Å; R113-D116 WeakPolarHBondContact CB-OD2 3.41Å; R113-D116 PolarHBondContact N-OD2 3.07Å; R113-D116 WeakPolarHBondContact O-CB 3.41Å; R113-D116 PolarHBondContact O-N 3.23Å; D116-F118 VanDerWaalsContact C-N 3.34Å; D116-E119 PolarHBondContact O-N 3.25Å; D116-K120 PolarHBondContact O-N 3.15Å; D116-K120 VanDerWaalsContact O-N 3.15Å
117I94.8Very high92.2Very high1 Ų160 Ų601%0.00530%0.295CS..Hα-helixtrans-64.9-41.7178.2-62.1170.9000110L85 M108 R113 K120 L121 A145 M146 L153L85-I117 HydrophobicContact CD1-CG2 3.76Å; L85-I117 HydrophobicContact CD2-CG2 3.72Å; L85-I117 HydrophobicContact CG-CG2 4.38Å; M108-I117 HydrophobicContact CE-CG1 3.94Å; R113-I117 WeakPolarHBondContact O-CG1 3.44Å; R113-I117 PolarHBondContact O-N 3.14Å; I117-K120 PolarHBondContact O-N 3.09Å; I117-L121 WeakPolarHBondContact O-CB 3.29Å; I117-L121 PolarHBondContact O-N 3.42Å; I117-A145 HydrophobicContact CD1-CB 3.96Å; I117-M146 HydrophobicContact CD1-CE 3.86Å; I117-M146 HydrophobicContact CD1-SD 3.85Å; I117-M146 HydrophobicContact CG2-CE 4.28Å; I117-M146 HydrophobicContact CG2-SD 4.01Å; I117-L153 HydrophobicContact CB-CD1 4.44Å; I117-L153 HydrophobicContact CG2-CB 4.26Å; I117-L153 HydrophobicContact CG2-CD1 3.87Å; I117-L153 HydrophobicContact CG2-CD2 3.73Å; I117-L153 HydrophobicContact CG2-CG 4.14Å
118F96.2Very high92.5Very high35 Ų3559.4 Ų59.415%0.15429%0.288CS..Hα-helixtrans-62.6-44176.9178-107.9000111.8G114 E115 D116 K120 L121 V122 F132 L153 F156 V157 E160G114-F118 VanDerWaalsContact O-CB 3.22Å; G114-F118 WeakPolarHBondContact O-CB 3.48Å; G114-F118 PolarHBondContact O-N 3.09Å; E115-F118 PolarHBondContact O-N 2.96Å; D116-F118 VanDerWaalsContact C-N 3.34Å; F118-K120 VanDerWaalsContact C-N 3.35Å; F118-K120 PolarHBondContact O-N 2.92Å; F118-L121 WeakPolarHBondContact O-CB 3.46Å; F118-L121 PolarHBondContact O-N 3.12Å; F118-V122 HydrophobicContact CD1-CG2 4.32Å; F118-V122 HydrophobicContact CD2-CG2 4.24Å; F118-V122 HydrophobicContact CE1-CG2 3.93Å; F118-V122 HydrophobicContact CE2-CG2 3.85Å; F118-V122 HydrophobicContact CG-CG2 4.47Å; F118-V122 HydrophobicContact CZ-CG2 3.68Å; F118-V122 WeakPolarHBondContact O-CG2 3.39Å; F118-V122 PolarHBondContact O-N 3.26Å; F118-F132 HydrophobicContact CE2-CZ 4.13Å; F118-L153 HydrophobicContact CB-CD1 3.84Å; F118-L153 HydrophobicContact CD2-CD1 4.19Å; F118-F156 HydrophobicContact CB-CB 3.98Å; F118-F156 HydrophobicContact CB-CD2 4.22Å; F118-F156 HydrophobicContact CB-CG 4.29Å; F118-F156 HydrophobicContact CD1-CB 4Å; F118-F156 HydrophobicContact CD1-CG 4.42Å; F118-F156 HydrophobicContact CD2-CB 3.53Å; F118-F156 HydrophobicContact CE1-CB 4.37Å; F118-F156 HydrophobicContact CE2-CB 3.94Å; F118-F156 HydrophobicContact CG-CB 3.55Å; F118-F156 HydrophobicContact CG-CG 4.2Å; F118-F156 HydrophobicContact CZ-CB 4.34Å; F118-V157 HydrophobicContact CD2-CG2 3.9Å; F118-V157 HydrophobicContact CE2-CG2 4.04Å; F118-E160 HydrophobicContact CE2-CB 4.38Å; F118-E160 HydrophobicContact CZ-CB 4.12Å; F118-E160 HydrophobicContact CZ-CG 4.34Å
119E96Very high92.8Very high117 Ų11761.5 Ų61.555%0.54731%0.313SS..Hα-helixtrans-57.5-47.3175.9-173.9-175.3165.900111.6E115 D116 L121 V122 L123E115-E119 PolarHBondContact O-N 3.43Å; D116-E119 PolarHBondContact O-N 3.25Å; E119-L121 PolarHBondContact O-N 3.33Å; E119-V122 PolarHBondContact O-N 2.89Å; E119-L123 HydrophobicContact CG-CD1 4.25Å; E119-L123 WeakPolarHBondContact O-CG 3.5Å; E119-L123 PolarHBondContact O-N 3.12Å
120K95.8Very high93.6Very high58 Ų5854.5 Ų54.525%0.25228%0.281SS..Hα-helixtrans-63.2-40.7176.9-68.5-57.3-169.8173.60112.9L85 E106 M108 D116 I117 F118 L123 S124L85-K120 HydrophobicContact CD2-CB 3.85Å; E106-K120 HydrophobicContact CB-CB 4.21Å; E106-K120 HydrophobicContact CB-CD 4.25Å; E106-K120 HydrophobicContact CB-CG 4.3Å; E106-K120 HydrophobicContact CG-CB 4.38Å; M108-K120 HydrophobicContact CE-CG 4.46Å; M108-K120 HydrophobicContact SD-CB 4.49Å; M108-K120 HydrophobicContact SD-CG 3.65Å; D116-K120 PolarHBondContact O-N 3.15Å; D116-K120 VanDerWaalsContact O-N 3.15Å; I117-K120 PolarHBondContact O-N 3.09Å; F118-K120 VanDerWaalsContact C-N 3.35Å; F118-K120 PolarHBondContact O-N 2.92Å; K120-L123 PolarHBondContact O-N 3.49Å; K120-S124 WeakPolarHBondContact O-CB 3.5Å; K120-S124 PolarHBondContact O-N 2.95Å
121L97.3Very high94.7Very high0 Ų055.3 Ų55.30%027%0.272CS..Hα-helixtrans-59-47.9175.2-174.965.6000111.1L71 I87 I117 F118 E119 S124 M125 L138 L153 V157L71-L121 HydrophobicContact CD1-CD1 3.75Å; L71-L121 HydrophobicContact CD1-CD2 4.4Å; L71-L121 HydrophobicContact CD1-CG 4.32Å; I87-L121 HydrophobicContact CD1-CB 4.48Å; I87-L121 HydrophobicContact CD1-CD1 3.74Å; I87-L121 HydrophobicContact CG1-CD1 4.14Å; I87-L121 HydrophobicContact CG2-CD1 3.74Å; I117-L121 WeakPolarHBondContact O-CB 3.29Å; I117-L121 PolarHBondContact O-N 3.42Å; F118-L121 WeakPolarHBondContact O-CB 3.46Å; F118-L121 PolarHBondContact O-N 3.12Å; E119-L121 PolarHBondContact O-N 3.33Å; L121-S124 PolarHBondContact O-N 3.17Å; L121-M125 HydrophobicContact CG-SD 4.15Å; L121-M125 VanDerWaalsContact O-CG 3.32Å; L121-M125 WeakPolarHBondContact O-CG 3.43Å; L121-M125 PolarHBondContact O-N 3.47Å; L121-L138 HydrophobicContact CD2-CD1 4.46Å; L121-L153 HydrophobicContact CB-CD1 4.48Å; L121-L153 HydrophobicContact CD2-CD1 3.91Å; L121-V157 HydrophobicContact CD2-CG2 3.69Å
122V97.6Very high95.5Very high27 Ų2754 Ų5416%0.16426%0.261CS..Hα-helixtrans-62.8-45.9179.6171.80000111.2F118 E119 S124 M125 Q126 F132F118-V122 HydrophobicContact CD1-CG2 4.32Å; F118-V122 HydrophobicContact CD2-CG2 4.24Å; F118-V122 HydrophobicContact CE1-CG2 3.93Å; F118-V122 HydrophobicContact CE2-CG2 3.85Å; F118-V122 HydrophobicContact CG-CG2 4.47Å; F118-V122 HydrophobicContact CZ-CG2 3.68Å; F118-V122 WeakPolarHBondContact O-CG2 3.39Å; F118-V122 PolarHBondContact O-N 3.26Å; E119-V122 PolarHBondContact O-N 2.89Å; V122-S124 VanDerWaalsContact C-N 3.32Å; V122-S124 PolarHBondContact O-N 3.06Å; V122-M125 PolarHBondContact O-N 3.2Å; V122-Q126 HydrophobicContact CG1-CG 4.4Å; V122-Q126 WeakPolarHBondContact O-CB 3.28Å; V122-Q126 VanDerWaalsContact O-CG 3.3Å; V122-Q126 WeakPolarHBondContact O-CG 3.48Å; V122-Q126 PolarHBondContact O-N 3.47Å; V122-F132 HydrophobicContact CG2-CE2 4.09Å; V122-F132 HydrophobicContact CG2-CZ 3.92Å
123L97.6Very high96.2Very high79 Ų7957.8 Ų57.841%0.41428%0.276SS..Hα-helixtrans-60.8-41.3177.1-71.8172.9000112E119 K120 Q126 R127E119-L123 HydrophobicContact CG-CD1 4.25Å; E119-L123 WeakPolarHBondContact O-CG 3.5Å; E119-L123 PolarHBondContact O-N 3.12Å; K120-L123 PolarHBondContact O-N 3.49Å; L123-Q126 PolarHBondContact O-N 3.35Å; L123-R127 WeakPolarHBondContact O-CB 3.32Å; L123-R127 PolarHBondContact O-N 3.09Å
124S97.7Very high96.5Very high0 Ų053.6 Ų53.60%026%0.262CS..Hα-helixtrans-64.1-48.1174.9-175.80000111.3L103 S104 K120 L121 V122 Q126 R127 F128L103-S124 WeakPolarHBondContact CD2-OG 3.18Å; S104-S124 WeakPolarHBondContact CB-OG 3.49Å; S104-S124 WeakPolarHBondContact OG-CB 3.32Å; S104-S124 PolarHBondContact OG-OG 3.13Å; K120-S124 WeakPolarHBondContact O-CB 3.5Å; K120-S124 PolarHBondContact O-N 2.95Å; L121-S124 PolarHBondContact O-N 3.17Å; V122-S124 VanDerWaalsContact C-N 3.32Å; V122-S124 PolarHBondContact O-N 3.06Å; S124-Q126 VanDerWaalsContact C-N 3.32Å; S124-Q126 PolarHBondContact O-N 3.13Å; S124-R127 WeakPolarHBondContact O-CB 3.27Å; S124-R127 PolarHBondContact O-N 3.36Å; S124-R127 VanDerWaalsContact O-N 3.13Å; S124-F128 VanDerWaalsContact O-CD2 3.27Å; S124-F128 WeakPolarHBondContact O-CD2 3.36Å; S124-F128 PolarHBondContact O-N 3.25Å; S124-F128 VanDerWaalsContact O-N 3.11Å
125M98.1Very high96.8Very high3 Ų354 Ų542%0.01526%0.264CS..Hα-helixtrans-56.2-45.8176-73.7176.863.600111.9F69 L71 L121 V122 F128 G129 L130 F132F69-M125 HydrophobicContact CE2-CE 4.37Å; F69-M125 HydrophobicContact CZ-CE 4.02Å; L71-M125 HydrophobicContact CD1-CG 4.01Å; L71-M125 HydrophobicContact CD1-SD 3.65Å; L121-M125 HydrophobicContact CG-SD 4.15Å; L121-M125 VanDerWaalsContact O-CG 3.32Å; L121-M125 WeakPolarHBondContact O-CG 3.43Å; L121-M125 PolarHBondContact O-N 3.47Å; V122-M125 PolarHBondContact O-N 3.2Å; M125-F128 CarbonylContact O-C 3.56Å; M125-F128 PolarHBondContact O-N 3.18Å; M125-G129 PolarHBondContact O-N 3.35Å; M125-L130 HydrophobicContact CB-CB 4.01Å; M125-L130 HydrophobicContact CE-CB 4.36Å; M125-L130 HydrophobicContact CG-CB 4.19Å; M125-L130 HydrophobicContact CG-CD1 4.38Å; M125-L130 PolarHBondContact O-N 3.4Å; M125-F132 HydrophobicContact CE-CD1 3.89Å; M125-F132 HydrophobicContact CE-CD2 3.94Å; M125-F132 HydrophobicContact CE-CE1 3.88Å; M125-F132 HydrophobicContact CE-CE2 3.93Å; M125-F132 HydrophobicContact CE-CG 3.91Å; M125-F132 HydrophobicContact CE-CZ 3.9Å; M125-F132 HydrophobicContact SD-CD1 4.49Å; M125-F132 HydrophobicContact SD-CE1 3.89Å; M125-F132 HydrophobicContact SD-CE2 4.17Å; M125-F132 HydrophobicContact SD-CZ 3.71Å
126Q97.6Very high96.9Very high131 Ų13153.3 Ų53.361%0.61227%0.269SS*.Hα-helixtrans-61.5-44.3176.1-72.5174.70.900112.3V122 L123 S124 F128 G129V122-Q126 HydrophobicContact CG1-CG 4.4Å; V122-Q126 WeakPolarHBondContact O-CB 3.28Å; V122-Q126 VanDerWaalsContact O-CG 3.3Å; V122-Q126 WeakPolarHBondContact O-CG 3.48Å; V122-Q126 PolarHBondContact O-N 3.47Å; L123-Q126 PolarHBondContact O-N 3.35Å; S124-Q126 VanDerWaalsContact C-N 3.32Å; S124-Q126 PolarHBondContact O-N 3.13Å; Q126-F128 PolarHBondContact O-N 2.66Å; Q126-G129 PolarHBondContact O-N 3.09Å; Q126-G129 VanDerWaalsContact O-N 3.1Å
127R97.6Very high97.1Very high121 Ų12152.9 Ų52.946%0.45727%0.272SS..Hα-helixtrans-55.8-37.4177.1178.6-178.3177.3-179.11.6111.8E56 K60 L123 S124E56-R127 VanDerWaalsContact CD-NH2 3.32Å; E56-R127 IonicContact OE1-CZ 2.89Å; E56-R127 IonicContact OE1-NE 2.67Å; E56-R127 PolarHBondContact OE1-NE 3.18Å; E56-R127 IonicContact OE1-NH2 3.63Å; E56-R127 IonicContact OE2-CZ 3.61Å; E56-R127 IonicContact OE2-NE 3.79Å; E56-R127 IonicContact OE2-NH2 3.53Å; E56-R127 PolarHBondContact OE2-NH2 2.79Å; K60-R127 WeakPolarHBondContact CE-O 3.39Å; K60-R127 PolarHBondContact NZ-O 2.82Å; L123-R127 WeakPolarHBondContact O-CB 3.32Å; L123-R127 PolarHBondContact O-N 3.09Å; S124-R127 WeakPolarHBondContact O-CB 3.27Å; S124-R127 PolarHBondContact O-N 3.36Å; S124-R127 VanDerWaalsContact O-N 3.13Å
128F97.7Very high97.2Very high11 Ų1154.9 Ų54.95%0.04828%0.283CS..THydrogen-bonded Turntrans-96.94.5-179.1-69.4-79.5000114.6E56 L59 K60 L103 S124 M125 Q126 L130E56-F128 HydrophobicContact CG-CE1 3.97Å; E56-F128 HydrophobicContact CG-CZ 4.36Å; L59-F128 HydrophobicContact CB-CE1 4.13Å; L59-F128 HydrophobicContact CD2-CD1 4.11Å; L59-F128 HydrophobicContact CD2-CE1 3.47Å; L59-F128 VanDerWaalsContact CD2-CE1 3.47Å; L59-F128 HydrophobicContact CD2-CZ 3.86Å; L59-F128 HydrophobicContact CG-CD1 3.95Å; L59-F128 HydrophobicContact CG-CE1 3.72Å; K60-F128 HydrophobicContact CG-CD1 3.66Å; K60-F128 HydrophobicContact CG-CE1 4.21Å; L103-F128 HydrophobicContact CD1-CB 3.8Å; L103-F128 HydrophobicContact CD1-CD1 3.95Å; L103-F128 HydrophobicContact CD1-CD2 3.3Å; L103-F128 HydrophobicContact CD1-CE1 4.38Å; L103-F128 HydrophobicContact CD1-CE2 3.81Å; L103-F128 HydrophobicContact CD1-CG 3.39Å; L103-F128 HydrophobicContact CD1-CZ 4.31Å; L103-F128 HydrophobicContact CD2-CD2 4.31Å; L103-F128 HydrophobicContact CG-CD2 3.61Å; L103-F128 HydrophobicContact CG-CE2 3.9Å; L103-F128 HydrophobicContact CG-CG 4.22Å; L103-F128 WeakPolarHBondContact O-CE2 3.4Å; L103-F128 WeakPolarHBondContact O-CZ 3.43Å; S124-F128 VanDerWaalsContact O-CD2 3.27Å; S124-F128 WeakPolarHBondContact O-CD2 3.36Å; S124-F128 PolarHBondContact O-N 3.25Å; S124-F128 VanDerWaalsContact O-N 3.11Å; M125-F128 CarbonylContact O-C 3.56Å; M125-F128 PolarHBondContact O-N 3.18Å; Q126-F128 PolarHBondContact O-N 2.66Å; F128-L130 HydrophobicContact CB-CD1 4.37Å; F128-L130 HydrophobicContact CB-CG 4.24Å; F128-L130 PolarHBondContact O-N 2.82Å
129G97Very high97.3Very high59 Ų5957.7 Ų57.761%0.60830%0.303SS*.THydrogen-bonded Turntrans67.422.3179.400000114.1M125 Q126M125-G129 PolarHBondContact O-N 3.35Å; Q126-G129 PolarHBondContact O-N 3.09Å; Q126-G129 VanDerWaalsContact O-N 3.1Å
130L98.2Very high97.3Very high14 Ų1453.7 Ų53.77%0.07329%0.287CS..  trans-79.3144176-65.1173.1000110.5A63 F69 L89 L103 M125 F128A63-L130 HydrophobicContact CB-CD2 3.89Å; A63-L130 HydrophobicContact CB-CG 4.48Å; F69-L130 HydrophobicContact CD1-CD2 3.97Å; F69-L130 HydrophobicContact CD2-CD2 4.42Å; F69-L130 HydrophobicContact CE1-CB 4.18Å; F69-L130 HydrophobicContact CE1-CD2 3.85Å; F69-L130 HydrophobicContact CE2-CB 4.31Å; F69-L130 HydrophobicContact CE2-CD1 4.23Å; F69-L130 HydrophobicContact CE2-CD2 4.31Å; F69-L130 HydrophobicContact CG-CD2 4.27Å; F69-L130 HydrophobicContact CZ-CB 3.78Å; F69-L130 HydrophobicContact CZ-CD1 4.49Å; F69-L130 HydrophobicContact CZ-CD2 4.06Å; F69-L130 HydrophobicContact CZ-CG 4.34Å; L89-L130 HydrophobicContact CD1-CD1 3.92Å; L89-L130 HydrophobicContact CD1-CD2 4.22Å; L89-L130 HydrophobicContact CD2-CD1 4.07Å; L89-L130 HydrophobicContact CD2-CD2 4.24Å; L103-L130 HydrophobicContact CD1-CD1 4.04Å; L103-L130 HydrophobicContact CD2-CD1 3.68Å; M125-L130 HydrophobicContact CB-CB 4.01Å; M125-L130 HydrophobicContact CE-CB 4.36Å; M125-L130 HydrophobicContact CG-CB 4.19Å; M125-L130 HydrophobicContact CG-CD1 4.38Å; M125-L130 PolarHBondContact O-N 3.4Å; F128-L130 HydrophobicContact CB-CD1 4.37Å; F128-L130 HydrophobicContact CB-CG 4.24Å; F128-L130 PolarHBondContact O-N 2.82Å
131K97.2Very high97Very high126 Ų12655.2 Ų55.255%0.54830%0.298SS..  trans-124.9135.6-171-80.8-164.2-176.8-168.90110.4F69 E133 K134F69-K131 VanDerWaalsContact CE1-O 3.28Å; F69-K131 WeakPolarHBondContact CE1-O 3.4Å; F69-K131 VanDerWaalsContact CZ-O 3.3Å; F69-K131 WeakPolarHBondContact CZ-O 3.46Å; K131-E133 VanDerWaalsContact CB-OE2 3.25Å; K131-E133 WeakPolarHBondContact CB-OE2 3.41Å; K131-E133 PolarHBondContact O-N 2.97Å; K131-K134 PolarHBondContact O-N 3.16Å
132F97.9Very high96.7Very high21 Ų2157.2 Ų57.29%0.09232%0.318CS..G310 helixtrans-63.2-27.5-179.4-78.1-80.2000112.3F118 V122 M125 K134 L135 V157 E160 M161 L164F118-F132 HydrophobicContact CE2-CZ 4.13Å; V122-F132 HydrophobicContact CG2-CE2 4.09Å; V122-F132 HydrophobicContact CG2-CZ 3.92Å; M125-F132 HydrophobicContact CE-CD1 3.89Å; M125-F132 HydrophobicContact CE-CD2 3.94Å; M125-F132 HydrophobicContact CE-CE1 3.88Å; M125-F132 HydrophobicContact CE-CE2 3.93Å; M125-F132 HydrophobicContact CE-CG 3.91Å; M125-F132 HydrophobicContact CE-CZ 3.9Å; M125-F132 HydrophobicContact SD-CD1 4.49Å; M125-F132 HydrophobicContact SD-CE1 3.89Å; M125-F132 HydrophobicContact SD-CE2 4.17Å; M125-F132 HydrophobicContact SD-CZ 3.71Å; F132-K134 PolarHBondContact O-N 3.12Å; F132-K134 VanDerWaalsContact O-N 3.13Å; F132-L135 HydrophobicContact CD1-CD2 3.76Å; F132-L135 HydrophobicContact CE1-CD2 4.07Å; F132-L135 VanDerWaalsContact O-CB 3.31Å; F132-L135 WeakPolarHBondContact O-CB 3.44Å; F132-L135 PolarHBondContact O-N 2.76Å; F132-V157 HydrophobicContact CE1-CG1 4.21Å; F132-E160 HydrophobicContact CD1-CG 4.19Å; F132-E160 HydrophobicContact CD2-CG 3.65Å; F132-E160 HydrophobicContact CE1-CB 4.4Å; F132-E160 HydrophobicContact CE1-CG 4.2Å; F132-E160 HydrophobicContact CE2-CG 3.66Å; F132-E160 HydrophobicContact CG-CG 3.94Å; F132-E160 HydrophobicContact CZ-CB 4.47Å; F132-E160 HydrophobicContact CZ-CG 3.94Å; F132-M161 HydrophobicContact CD1-CG 4.23Å; F132-L164 HydrophobicContact CB-CD1 3.76Å; F132-L164 HydrophobicContact CB-CD2 4.28Å; F132-L164 HydrophobicContact CB-CG 4.49Å
133E96.4Very high96.4Very high126 Ų12657 Ų5759%0.58932%0.32SS*.G310 helixtrans-58.9-24.5174.8-57.490.4138.900112.8K131 L164K131-E133 VanDerWaalsContact CB-OE2 3.25Å; K131-E133 WeakPolarHBondContact CB-OE2 3.41Å; K131-E133 PolarHBondContact O-N 2.97Å; E133-L164 HydrophobicContact CG-CD1 4.09Å; E133-L164 HydrophobicContact CG-CD2 4.08Å
134K96.9Very high96.1Very high72 Ų7258.7 Ų58.731%0.31334%0.335SS..G310 helixtrans-103.40.7177.6-70.9-172.8166.2-164.30113F66 E67 I68 F69 K131 F132F66-K134 PolarHBondContact O-NZ 2.94Å; E67-K134 WeakPolarHBondContact O-CG 3.21Å; I68-K134 WeakPolarHBondContact CA-O 3.48Å; I68-K134 VanDerWaalsContact CG1-O 3.26Å; I68-K134 WeakPolarHBondContact CG1-O 3.39Å; F69-K134 HydrophobicContact CD1-CB 3.87Å; F69-K134 WeakPolarHBondContact CD1-O 3.47Å; F69-K134 HydrophobicContact CE1-CB 3.63Å; F69-K134 PolarHBondContact N-O 3.47Å; K131-K134 PolarHBondContact O-N 3.16Å; F132-K134 PolarHBondContact O-N 3.12Å; F132-K134 VanDerWaalsContact O-N 3.13Å
135L98.2Very high95.8Very high10 Ų1059.8 Ų59.85%0.05234%0.344CS..EExtended strand (participates in β ladder)trans-79.1120.4178.9-177.967000110.2F69 L71 F132 G137 V157 M161F69-L135 HydrophobicContact CD2-CD1 3.88Å; F69-L135 HydrophobicContact CE2-CB 4.2Å; F69-L135 HydrophobicContact CE2-CD1 3.51Å; F69-L135 HydrophobicContact CE2-CG 4.45Å; F69-L135 HydrophobicContact CZ-CB 4.08Å; F69-L135 HydrophobicContact CZ-CD1 4.25Å; F69-L135 CarbonylContact O-C 3.51Å; F69-L135 WeakPolarHBondContact O-CA 3.34Å; L71-L135 HydrophobicContact CB-CD1 4.36Å; L71-L135 HydrophobicContact CD1-CD1 3.96Å; L71-L135 HydrophobicContact CG-CD1 3.79Å; F132-L135 HydrophobicContact CD1-CD2 3.76Å; F132-L135 HydrophobicContact CE1-CD2 4.07Å; F132-L135 VanDerWaalsContact O-CB 3.31Å; F132-L135 WeakPolarHBondContact O-CB 3.44Å; F132-L135 PolarHBondContact O-N 2.76Å; L135-G137 WeakPolarHBondContact CD1-O 3.45Å; L135-V157 HydrophobicContact CD2-CG1 3.66Å; L135-M161 HydrophobicContact CD2-CG 4.44Å; L135-M161 HydrophobicContact CD2-SD 3.89Å; L135-M161 HydrophobicContact CG-SD 4.32Å; L135-M161 WeakPolarHBondContact O-CE 3.18Å
136S96.5Very high95.7Very high73 Ų7359.6 Ų59.651%0.5134%0.343SS..EExtended strand (participates in β ladder)trans-99.2-17.8178.656.80000114.8I68 F69I68-S136 VanDerWaalsContact CD1-CB 3.49Å; F69-S136 PolarHBondContact O-N 3.31Å; F69-S136 PolarHBondContact O-OG 3.4Å
137G96.9Very high95.5Very high26 Ų2657 Ų5727%0.26834%0.336SS..EExtended strand (participates in β ladder)trans-175.2154.3-175.900000113.5S70 L71 L135S70-G137 CarbonylContact C-O 3.55Å; S70-G137 VanDerWaalsContact CA-O 3.25Å; S70-G137 WeakPolarHBondContact CA-O 3.3Å; S70-G137 WeakPolarHBondContact CB-O 3.38Å; L71-G137 PolarHBondContact N-O 2.97Å; L135-G137 WeakPolarHBondContact CD1-O 3.45Å
138L97.8Very high95.3Very high43 Ų4352.4 Ų52.423%0.22533%0.326CS..EExtended strand (participates in β ladder)trans-127.9127.9174179.969.4000108.6L71 L121 T140 L153 A154 V157L71-L138 HydrophobicContact CB-CD1 3.93Å; L71-L138 CarbonylContact O-C 3.51Å; L71-L138 VanDerWaalsContact O-CA 3.29Å; L71-L138 WeakPolarHBondContact O-CA 3.48Å; L121-L138 HydrophobicContact CD2-CD1 4.46Å; L138-T140 HydrophobicContact CD2-CG2 4.3Å; L138-T140 HydrophobicContact CG-CG2 4.15Å; L138-L153 HydrophobicContact CD1-CD2 4.39Å; L138-L153 HydrophobicContact CD2-CD2 3.98Å; L138-L153 HydrophobicContact CD2-CG 3.94Å; L138-A154 HydrophobicContact CD2-CB 4.37Å; L138-V157 HydrophobicContact CD2-CB 4.01Å; L138-V157 HydrophobicContact CD2-CG1 4.24Å; L138-V157 HydrophobicContact CD2-CG2 3.8Å
139T97.6Very high95Very high95 Ų9559.1 Ų59.158%0.58336%0.361SS*.EExtended strand (participates in β ladder)trans-113.3140.3173.4-60.30000109.8L71 A72 C73L71-T139 PolarHBondContact O-N 3.42Å; A72-T139 CarbonylContact C-O 3.54Å; A72-T139 VanDerWaalsContact CA-O 3.24Å; A72-T139 WeakPolarHBondContact CA-O 3.02Å; C73-T139 PolarHBondContact N-O 3.42Å
140T94.9Very high94.7Very high33 Ų3363.5 Ų63.520%0.20237%0.366CS..EExtended strand (participates in β ladder)trans-141.1160.9179.765.60000109.7C73 L138 G142 M146 V147 L153C73-T140 HydrophobicContact CB-CG2 4.44Å; C73-T140 WeakPolarHBondContact O-CA 3.28Å; L138-T140 HydrophobicContact CD2-CG2 4.3Å; L138-T140 HydrophobicContact CG-CG2 4.15Å; T140-G142 PolarHBondContact O-N 2.89Å; T140-M146 HydrophobicContact CG2-CB 3.9Å; T140-M146 HydrophobicContact CG2-CG 4.32Å; T140-M146 HydrophobicContact CG2-SD 4.24Å; T140-V147 WeakPolarHBondContact OG1-CG1 3.48Å; T140-L153 HydrophobicContact CG2-CD2 4.14Å
141D90.6Very high94.4Very high90 Ų9069.6 Ų69.648%0.48139%0.392SS..  trans-65.8-13.4177.672.3-21.7000115A143 M146D141-A143 WeakPolarHBondContact OD1-CB 3.42Å; D141-A143 PolarHBondContact OD1-N 3.41Å; D141-M146 WeakPolarHBondContact OD1-CG 3.47Å
142G90.9Very high94.3Very high41 Ų4163.6 Ų63.642%0.42337%0.366SS..  trans94.45.6-179.200000114.3T140 V147T140-G142 PolarHBondContact O-N 2.89Å; G142-V147 VanDerWaalsContact O-CG2 3.32Å; G142-V147 WeakPolarHBondContact O-CG2 3.25Å
143A91.7Very high94.2Very high24 Ų2462.6 Ų62.620%0.19836%0.362CS..  trans-58.5148.8176.200000111.3D141 A145 M146 V147D141-A143 WeakPolarHBondContact OD1-CB 3.42Å; D141-A143 PolarHBondContact OD1-N 3.41Å; A143-A145 PolarHBondContact O-N 3.46Å; A143-A145 VanDerWaalsContact O-N 3.11Å; A143-M146 HydrophobicContact CB-CG 4.12Å; A143-M146 WeakPolarHBondContact O-CA 3.36Å; A143-M146 WeakPolarHBondContact O-CB 3.44Å; A143-M146 PolarHBondContact O-N 3.08Å; A143-V147 PolarHBondContact O-N 2.98Å
144P90.9Very high94.2Very high114 Ų11458.4 Ų58.474%0.7435%0.349SS*.Hα-helixtrans-55-34.5-177.5-2935.8000114.5M146 G148P144-M146 PolarHBondContact O-N 3.27Å; P144-G148 WeakPolarHBondContact O-CA 3.19Å; P144-G148 PolarHBondContact O-N 2.92Å
145A91.9Very high94.2Very high22 Ų2256.2 Ų56.218%0.18234%0.343CS..Hα-helixtrans-68.7-22.2175.200000113.4T112 G114 I117 A143 G152 L153T112-A145 WeakPolarHBondContact O-CB 3.34Å; G114-A145 WeakPolarHBondContact CA-O 3.28Å; I117-A145 HydrophobicContact CD1-CB 3.96Å; A143-A145 PolarHBondContact O-N 3.46Å; A143-A145 VanDerWaalsContact O-N 3.11Å; A145-G152 CarbonylContact O-C 3.56Å; A145-G152 WeakPolarHBondContact O-CA 3.24Å; A145-L153 PolarHBondContact O-N 3.31Å
146M94.2Very high94.2Very high0 Ų057.6 Ų57.60%035%0.349CS..Hα-helixtrans-88.8-46.7178.6-61.4-61.9-170.600112E75 L85 I117 T140 D141 A143 P144 G152 L153 A154E75-M146 HydrophobicContact CB-CE 4.08Å; L85-M146 HydrophobicContact CD1-CE 3.98Å; I117-M146 HydrophobicContact CD1-CE 3.86Å; I117-M146 HydrophobicContact CD1-SD 3.85Å; I117-M146 HydrophobicContact CG2-CE 4.28Å; I117-M146 HydrophobicContact CG2-SD 4.01Å; T140-M146 HydrophobicContact CG2-CB 3.9Å; T140-M146 HydrophobicContact CG2-CG 4.32Å; T140-M146 HydrophobicContact CG2-SD 4.24Å; D141-M146 WeakPolarHBondContact OD1-CG 3.47Å; A143-M146 HydrophobicContact CB-CG 4.12Å; A143-M146 WeakPolarHBondContact O-CA 3.36Å; A143-M146 WeakPolarHBondContact O-CB 3.44Å; A143-M146 PolarHBondContact O-N 3.08Å; P144-M146 PolarHBondContact O-N 3.27Å; M146-G152 CarbonylContact O-C 3.5Å; M146-L153 PolarHBondContact O-N 3.24Å; M146-L153 VanDerWaalsContact O-N 3.12Å; M146-L153 HydrophobicContact SD-CB 4.15Å; M146-L153 HydrophobicContact SD-CD2 3.79Å; M146-A154 WeakPolarHBondContact O-CB 3.26Å; M146-A154 PolarHBondContact O-N 3.47Å
147V94.7Very high94.2Very high77 Ų7754.3 Ų54.347%0.46733%0.326SS..Hα-helixtrans-107.12-170.1-58.60000115.2T140 G142 A143 L149T140-V147 WeakPolarHBondContact OG1-CG1 3.48Å; G142-V147 VanDerWaalsContact O-CG2 3.32Å; G142-V147 WeakPolarHBondContact O-CG2 3.25Å; A143-V147 PolarHBondContact O-N 2.98Å; V147-L149 PolarHBondContact O-N 3.29Å
148G93.7Very high94.2Very high23 Ų2359.7 Ų59.724%0.23734%0.342CS..  trans-52.8129.6178.600000112.9P144 Q150 G152 A155P144-G148 WeakPolarHBondContact O-CA 3.19Å; P144-G148 PolarHBondContact O-N 2.92Å; G148-Q150 PolarHBondContact O-N 2.81Å; G148-Q150 VanDerWaalsContact O-N 3.09Å; G148-G152 VanDerWaalsContact O-CA 3.29Å; G148-G152 WeakPolarHBondContact O-CA 3.35Å; G148-G152 PolarHBondContact O-N 3.37Å; G148-A155 WeakPolarHBondContact O-CB 3.5Å
149L90.4Very high94.1Very high152 Ų15263.8 Ų63.880%0.79636%0.358SS*.THydrogen-bonded Turntrans-57.1-32.1-169.6-176.864.2000114.8V147 A155V147-L149 PolarHBondContact O-N 3.29Å; L149-A155 WeakPolarHBondContact O-CB 3.45Å
150Q90.1Very high94Very high151 Ų15162.9 Ų62.971%0.70635%0.347SS*.THydrogen-bonded Turntrans-119.8-25.6-176.2-64.4-64.8-21.700113.5G148G148-Q150 PolarHBondContact O-N 2.81Å; G148-Q150 VanDerWaalsContact O-N 3.09Å
151K93.1Very high94Very high143 Ų14364.5 Ų64.562%0.62235%0.353SS*.THydrogen-bonded Turntrans-13213.3-172.2-64.4-165.1172.6-159.20113.3G114 F156G114-K151 WeakPolarHBondContact CA-O 3.24Å; K151-F156 WeakPolarHBondContact O-CE2 2.75Å
152G94.4Very high94.1Very high0 Ų065.6 Ų65.60%036%0.359CS..SBendtrans-86.5155.5172.100000111.1A145 M146 G148 A154 A155 F156A145-G152 CarbonylContact O-C 3.56Å; A145-G152 WeakPolarHBondContact O-CA 3.24Å; M146-G152 CarbonylContact O-C 3.5Å; G148-G152 VanDerWaalsContact O-CA 3.29Å; G148-G152 WeakPolarHBondContact O-CA 3.35Å; G148-G152 PolarHBondContact O-N 3.37Å; G152-A154 PolarHBondContact O-N 2.92Å; G152-A155 WeakPolarHBondContact O-CB 3.43Å; G152-A155 PolarHBondContact O-N 2.92Å; G152-F156 WeakPolarHBondContact O-CD2 3.34Å; G152-F156 PolarHBondContact O-N 3.47Å
153L96.1Very high94.1Very high0 Ų069 Ų690%037%0.367CS..Hα-helixtrans-46.1-49.4173.3176.664.5000112.1C73 I117 F118 L121 L138 T140 A145 M146 A155 F156 V157C73-L153 HydrophobicContact CB-CD2 3.78Å; I117-L153 HydrophobicContact CB-CD1 4.44Å; I117-L153 HydrophobicContact CG2-CB 4.26Å; I117-L153 HydrophobicContact CG2-CD1 3.87Å; I117-L153 HydrophobicContact CG2-CD2 3.73Å; I117-L153 HydrophobicContact CG2-CG 4.14Å; F118-L153 HydrophobicContact CB-CD1 3.84Å; F118-L153 HydrophobicContact CD2-CD1 4.19Å; L121-L153 HydrophobicContact CB-CD1 4.48Å; L121-L153 HydrophobicContact CD2-CD1 3.91Å; L138-L153 HydrophobicContact CD1-CD2 4.39Å; L138-L153 HydrophobicContact CD2-CD2 3.98Å; L138-L153 HydrophobicContact CD2-CG 3.94Å; T140-L153 HydrophobicContact CG2-CD2 4.14Å; A145-L153 PolarHBondContact O-N 3.31Å; M146-L153 PolarHBondContact O-N 3.24Å; M146-L153 VanDerWaalsContact O-N 3.12Å; M146-L153 HydrophobicContact SD-CB 4.15Å; M146-L153 HydrophobicContact SD-CD2 3.79Å; L153-A155 VanDerWaalsContact C-N 3.26Å; L153-A155 PolarHBondContact O-N 3.27Å; L153-F156 PolarHBondContact O-N 3.5Å; L153-F156 VanDerWaalsContact O-N 3.11Å; L153-V157 HydrophobicContact CD1-CG2 4.04Å; L153-V157 HydrophobicContact CG-CG2 4.31Å; L153-V157 WeakPolarHBondContact O-CG2 3.36Å; L153-V157 PolarHBondContact O-N 3.01Å
154A96.4Very high93.8Very high38 Ų3874 Ų7431%0.31439%0.39SS..Hα-helixtrans-61.3-33.6-178.300000112.7L138 M146 G152 K158L138-A154 HydrophobicContact CD2-CB 4.37Å; M146-A154 WeakPolarHBondContact O-CB 3.26Å; M146-A154 PolarHBondContact O-N 3.47Å; G152-A154 PolarHBondContact O-N 2.92Å; A154-K158 WeakPolarHBondContact O-CB 3.28Å; A154-K158 PolarHBondContact O-N 3.17Å
155A96.8Very high94Very high25 Ų2572 Ų7221%0.20737%0.373CS..Hα-helixtrans-69.1-41.2175.500000111.5G148 L149 G152 L153 K158 K159G148-A155 WeakPolarHBondContact O-CB 3.5Å; L149-A155 WeakPolarHBondContact O-CB 3.45Å; G152-A155 WeakPolarHBondContact O-CB 3.43Å; G152-A155 PolarHBondContact O-N 2.92Å; L153-A155 VanDerWaalsContact C-N 3.26Å; L153-A155 PolarHBondContact O-N 3.27Å; A155-K158 PolarHBondContact O-N 3.46Å; A155-K159 WeakPolarHBondContact O-CB 3.47Å; A155-K159 PolarHBondContact O-N 3.19Å
156F97.6Very high94.1Very high40 Ų4074.6 Ų74.618%0.17538%0.383CS..Hα-helixtrans-66.4-47.3176-67.6-62.6000112.4E115 F118 K151 G152 L153 K158 K159 E160E115-F156 HydrophobicContact CB-CE2 4.24Å; E115-F156 HydrophobicContact CB-CZ 4.37Å; E115-F156 HydrophobicContact CG-CE1 4.1Å; E115-F156 HydrophobicContact CG-CE2 3.45Å; E115-F156 VanDerWaalsContact CG-CE2 3.45Å; E115-F156 HydrophobicContact CG-CZ 3.2Å; F118-F156 HydrophobicContact CB-CB 3.98Å; F118-F156 HydrophobicContact CB-CD2 4.22Å; F118-F156 HydrophobicContact CB-CG 4.29Å; F118-F156 HydrophobicContact CD1-CB 4Å; F118-F156 HydrophobicContact CD1-CG 4.42Å; F118-F156 HydrophobicContact CD2-CB 3.53Å; F118-F156 HydrophobicContact CE1-CB 4.37Å; F118-F156 HydrophobicContact CE2-CB 3.94Å; F118-F156 HydrophobicContact CG-CB 3.55Å; F118-F156 HydrophobicContact CG-CG 4.2Å; F118-F156 HydrophobicContact CZ-CB 4.34Å; K151-F156 WeakPolarHBondContact O-CE2 2.75Å; G152-F156 WeakPolarHBondContact O-CD2 3.34Å; G152-F156 PolarHBondContact O-N 3.47Å; L153-F156 PolarHBondContact O-N 3.5Å; L153-F156 VanDerWaalsContact O-N 3.11Å; F156-K158 VanDerWaalsContact C-N 3.31Å; F156-K158 PolarHBondContact O-N 2.97Å; F156-K159 WeakPolarHBondContact O-CB 3.41Å; F156-K159 PolarHBondContact O-N 3.4Å; F156-K159 VanDerWaalsContact O-N 3.13Å; F156-E160 PolarHBondContact O-N 3.16Å
157V97.6Very high94.1Very high4 Ų478.8 Ų78.82%0.02440%0.404CS..Hα-helixtrans-59.6-44175.8171.40000110.8F118 L121 F132 L135 L138 L153 K159 E160 M161F118-V157 HydrophobicContact CD2-CG2 3.9Å; F118-V157 HydrophobicContact CE2-CG2 4.04Å; L121-V157 HydrophobicContact CD2-CG2 3.69Å; F132-V157 HydrophobicContact CE1-CG1 4.21Å; L135-V157 HydrophobicContact CD2-CG1 3.66Å; L138-V157 HydrophobicContact CD2-CB 4.01Å; L138-V157 HydrophobicContact CD2-CG1 4.24Å; L138-V157 HydrophobicContact CD2-CG2 3.8Å; L153-V157 HydrophobicContact CD1-CG2 4.04Å; L153-V157 HydrophobicContact CG-CG2 4.31Å; L153-V157 WeakPolarHBondContact O-CG2 3.36Å; L153-V157 PolarHBondContact O-N 3.01Å; V157-K159 VanDerWaalsContact C-N 3.31Å; V157-K159 PolarHBondContact O-N 2.91Å; V157-E160 PolarHBondContact O-N 2.99Å; V157-M161 HydrophobicContact CG1-CG 4.38Å; V157-M161 HydrophobicContact CG1-SD 4.01Å; V157-M161 VanDerWaalsContact O-CG 3.28Å; V157-M161 WeakPolarHBondContact O-CG 3.37Å; V157-M161 PolarHBondContact O-N 3.5Å
158K95.8Very high94Very high139 Ų13978.9 Ų78.960%0.60440%0.401SS*.Hα-helixtrans-61.8-39.6176.5-177.8176.1-178.6178.70112.2A154 A155 F156 N162A154-K158 WeakPolarHBondContact O-CB 3.28Å; A154-K158 PolarHBondContact O-N 3.17Å; A155-K158 PolarHBondContact O-N 3.46Å; F156-K158 VanDerWaalsContact C-N 3.31Å; F156-K158 PolarHBondContact O-N 2.97Å; K158-N162 PolarHBondContact O-N 3.47Å; K158-N162 PolarHBondContact O-ND2 3.18Å
159K96.1Very high94.1Very high128 Ų12882.4 Ų82.456%0.55741%0.411SS*.Hα-helixtrans-62.5-51.1176.2-177-175.3172.7-168.90110.5A155 F156 V157 M161 N162 D163A155-K159 WeakPolarHBondContact O-CB 3.47Å; A155-K159 PolarHBondContact O-N 3.19Å; F156-K159 WeakPolarHBondContact O-CB 3.41Å; F156-K159 PolarHBondContact O-N 3.4Å; F156-K159 VanDerWaalsContact O-N 3.13Å; V157-K159 VanDerWaalsContact C-N 3.31Å; V157-K159 PolarHBondContact O-N 2.91Å; K159-M161 VanDerWaalsContact C-N 3.29Å; K159-M161 PolarHBondContact O-N 3.41Å; K159-N162 PolarHBondContact O-N 3.23Å; K159-D163 PolarHBondContact O-N 2.86Å
160E95.9Very high94.3Very high76 Ų7677.7 Ų77.736%0.35539%0.385SS..Hα-helixtrans-56.2-43.9178.4-166.668.7-16500111.6F118 F132 F156 V157 N162 D163F118-E160 HydrophobicContact CE2-CB 4.38Å; F118-E160 HydrophobicContact CZ-CB 4.12Å; F118-E160 HydrophobicContact CZ-CG 4.34Å; F132-E160 HydrophobicContact CD1-CG 4.19Å; F132-E160 HydrophobicContact CD2-CG 3.65Å; F132-E160 HydrophobicContact CE1-CB 4.4Å; F132-E160 HydrophobicContact CE1-CG 4.2Å; F132-E160 HydrophobicContact CE2-CG 3.66Å; F132-E160 HydrophobicContact CG-CG 3.94Å; F132-E160 HydrophobicContact CZ-CB 4.47Å; F132-E160 HydrophobicContact CZ-CG 3.94Å; F156-E160 PolarHBondContact O-N 3.16Å; V157-E160 PolarHBondContact O-N 2.99Å; E160-N162 VanDerWaalsContact C-N 3.3Å; E160-N162 PolarHBondContact O-N 2.87Å; E160-D163 PolarHBondContact O-N 3.47Å
161M94.2Very high94.6Very high67 Ų6772.5 Ų72.533%0.3336%0.362SS..Hα-helixtrans-65-28.1177.3-70.5179.473.300114.2F132 L135 V157 K159F132-M161 HydrophobicContact CD1-CG 4.23Å; L135-M161 HydrophobicContact CD2-CG 4.44Å; L135-M161 HydrophobicContact CD2-SD 3.89Å; L135-M161 HydrophobicContact CG-SD 4.32Å; L135-M161 WeakPolarHBondContact O-CE 3.18Å; V157-M161 HydrophobicContact CG1-CG 4.38Å; V157-M161 HydrophobicContact CG1-SD 4.01Å; V157-M161 VanDerWaalsContact O-CG 3.28Å; V157-M161 WeakPolarHBondContact O-CG 3.37Å; V157-M161 PolarHBondContact O-N 3.5Å; K159-M161 VanDerWaalsContact C-N 3.29Å; K159-M161 PolarHBondContact O-N 3.41Å
162N93.2Very high94.7Very high113 Ų11367.1 Ų67.160%0.60434%0.342SS*.Hα-helixtrans-82.4-18.5177.4-66.4-32.8000112.7K158 K159 E160 L164K158-N162 PolarHBondContact O-N 3.47Å; K158-N162 PolarHBondContact O-ND2 3.18Å; K159-N162 PolarHBondContact O-N 3.23Å; E160-N162 VanDerWaalsContact C-N 3.3Å; E160-N162 PolarHBondContact O-N 2.87Å; N162-L164 VanDerWaalsContact C-N 3.35Å
163D91.6Very high94.7Very high112 Ų11272.7 Ų72.760%0.59937%0.371SS*.  trans-90.41.9-178.3-68.7-19.9000112.2K159 E160K159-D163 PolarHBondContact O-N 2.86Å; E160-D163 PolarHBondContact O-N 3.47Å
164L85.4Confident94.6Very high130 Ų13079.3 Ų79.368%0.68141%0.405SS*.  trans-80.10175.3-62.1170.4000113F132 E133 N162F132-L164 HydrophobicContact CB-CD1 3.76Å; F132-L164 HydrophobicContact CB-CD2 4.28Å; F132-L164 HydrophobicContact CB-CG 4.49Å; E133-L164 HydrophobicContact CG-CD1 4.09Å; E133-L164 HydrophobicContact CG-CD2 4.08Å; N162-L164 VanDerWaalsContact C-N 3.35Å

Retrieved 164 of 164 residues in 96.1 ms (Link to these results)

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