A0A077YXL8_TRITR Loading...

Caenorhabditis elegans ly 6 protein

AlphaFold DB , UniProt , Accession A0A077YXL8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 171 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
1M78.1Confident90.5Very high177 Ų17741.4 Ų41.487%0.87220%0.202SC*.  0138.50-71.2174.7169.300108.7Q50M1-Q50 HydrophobicContact CE-CG 4.25Å
2A87.9Confident90.2Very high17 Ų1738.4 Ų38.414%0.1419%0.188CC..EExtended strand (participates in β ladder)trans-98151.1177.300000110.5C49 N141A2-C49 PolarHBondContact N-O 3.17Å; A2-C49 VanDerWaalsContact N-O 3.1Å; A2-C49 PolarHBondContact O-N 3.45Å; A2-N141 VanDerWaalsContact CA-OD1 3.26Å; A2-N141 WeakPolarHBondContact CA-OD1 3.04Å
3H92.9Very high90Very high86 Ų8647.5 Ų47.540%0.39822%0.219SC..EExtended strand (participates in β ladder)trans-103.5118.3169.5-68.884.7000109.6N141 R142H3-N141 PolarHBondContact N-OD1 3.13Å; H3-R142 WeakPolarHBondContact O-CA 3.2Å; H3-R142 PolarHBondContact O-N 3.27Å
4C94.6Very high89.5Confident0 Ų052.4 Ų52.40%025%0.254CS..EExtended strand (participates in β ladder)trans-110.2152-179.4-55.70000110.8L46 E47 C49 C53C4-L46 VanDerWaalsContact O-CA 3.29Å; C4-L46 WeakPolarHBondContact O-CA 3.1Å; C4-E47 PolarHBondContact N-O 3.01Å; C4-E47 PolarHBondContact O-N 3.18Å; C4-C49 WeakPolarHBondContact CB-SG 3.21Å; C4-C49 PolarHBondContact SG-SG 3.37Å; C4-C53 HydrophobicContact CB-CB 3.64Å; C4-C53 WeakPolarHBondContact CB-SG 3.41Å; C4-C53 WeakPolarHBondContact SG-CA 3.41Å; C4-C53 WeakPolarHBondContact SG-CB 3.39Å; C4-C53 CovalentContact SG-SG 2.01Å; C4-C53 PolarHBondContact SG-SG 3.36Å
5Y94.9Very high89.1Confident14 Ų1457.1 Ų57.16%0.05527%0.269CS..EExtended strand (participates in β ladder)trans-68.8133170.1-66.3-70.3000110.1M36 C41 I44 L46 R81 G82 R142 N144 A145Y5-M36 HydrophobicContact CD1-CE 3.9Å; Y5-M36 HydrophobicContact CD2-CE 3.31Å; Y5-M36 HydrophobicContact CE1-CE 4.24Å; Y5-M36 HydrophobicContact CE2-CE 3.7Å; Y5-M36 HydrophobicContact CG-CE 3.42Å; Y5-M36 VanDerWaalsContact CG-CE 3.42Å; Y5-C41 HydrophobicContact CE1-CB 4.19Å; Y5-C41 WeakPolarHBondContact CE1-O 3.41Å; Y5-C41 WeakPolarHBondContact OH-CB 3.5Å; Y5-I44 HydrophobicContact CD1-CB 3.84Å; Y5-I44 HydrophobicContact CD1-CG2 3.58Å; Y5-I44 HydrophobicContact CE1-CB 4.36Å; Y5-I44 HydrophobicContact CG-CG2 4.1Å; Y5-L46 HydrophobicContact CD1-CD2 3.53Å; Y5-L46 HydrophobicContact CE1-CD2 3.63Å; Y5-L46 HydrophobicContact CG-CD2 4.14Å; Y5-R81 CarbonylContact O-C 3.47Å; Y5-R81 WeakPolarHBondContact O-CB 3.4Å; Y5-G82 WeakPolarHBondContact O-CA 3.5Å; Y5-G82 PolarHBondContact O-N 2.87Å; Y5-R142 HydrophobicContact CD2-CB 4.3Å; Y5-R142 HydrophobicContact CE2-CB 3.55Å; Y5-R142 HydrophobicContact CE2-CG 4.03Å; Y5-N144 WeakPolarHBondContact CD2-OD1 3.12Å; Y5-N144 PolarHBondContact N-OD1 2.97Å; Y5-N144 PolarHBondContact O-ND2 3.18Å; Y5-A145 HydrophobicContact CD2-CB 3.94Å; Y5-A145 HydrophobicContact CE2-CB 3.5Å
6S95Very high89Confident4 Ų454.8 Ų54.83%0.02826%0.257CS..  trans-122.199.7179.6-169.10000109.7R27 N28 A45 E47 R81S6-R27 PolarHBondContact OG-N 2.75Å; S6-N28 PolarHBondContact O-N 2.83Å; S6-A45 PolarHBondContact N-O 3.09Å; S6-E47 WeakPolarHBondContact CB-OE1 3.07Å; S6-E47 PolarHBondContact OG-OE1 2.85Å; S6-R81 WeakPolarHBondContact CA-O 3.36Å
7C94.6Very high88.7Confident0 Ų061.4 Ų61.40%028%0.28CS..EExtended strand (participates in β ladder)trans-154.2161.8-176.460.30000113.4N28 T30 C33 I44 I80 R81C7-N28 CarbonylContact C-O 3.42Å; C7-N28 WeakPolarHBondContact CA-O 3.4Å; C7-N28 WeakPolarHBondContact CB-O 3.4Å; C7-T30 HydrophobicContact CB-CG2 4.45Å; C7-C33 HydrophobicContact CB-CB 3.69Å; C7-C33 WeakPolarHBondContact CB-SG 3.38Å; C7-C33 PolarHBondContact O-SG 3.11Å; C7-C33 VanDerWaalsContact SG-CA 3.54Å; C7-C33 WeakPolarHBondContact SG-CB 3.43Å; C7-C33 CovalentContact SG-SG 2.04Å; C7-C33 PolarHBondContact SG-SG 3.26Å; C7-I44 HydrophobicContact CB-CG2 3.81Å; C7-I80 CarbonylContact O-C 3.52Å; C7-I80 WeakPolarHBondContact O-CA 3.46Å; C7-R81 PolarHBondContact N-O 2.76Å; C7-R81 PolarHBondContact O-N 3.17Å
8A92.4Very high88.2Confident0 Ų064.2 Ų64.20%029%0.293CS..EExtended strand (participates in β ladder)trans-133.6155.8164.800000110.7L12 P26 N28 F29 T30 V79 I80A8-L12 HydrophobicContact CB-CB 4.47Å; A8-L12 HydrophobicContact CB-CD1 4.02Å; A8-P26 HydrophobicContact CB-CB 4.4Å; A8-P26 HydrophobicContact CB-CG 3.67Å; A8-N28 PolarHBondContact N-O 2.75Å; A8-F29 HydrophobicContact CB-CD1 3.79Å; A8-F29 HydrophobicContact CB-CE1 3.78Å; A8-F29 CarbonylContact O-C 3.59Å; A8-F29 VanDerWaalsContact O-CA 3.27Å; A8-F29 WeakPolarHBondContact O-CA 3.18Å; A8-T30 PolarHBondContact O-N 3.41Å; A8-V79 VanDerWaalsContact CA-O 3.26Å; A8-V79 WeakPolarHBondContact CA-O 3.3Å; A8-I80 HydrophobicContact CB-CG1 4.27Å; A8-I80 HydrophobicContact CB-CG2 4.48Å
9N90Very high88Confident0 Ų061.9 Ų61.90%028%0.284CS..  trans-64.8151.1172.364.1-69.1000111.6E11 L12 I34 H78 V79N9-E11 VanDerWaalsContact C-N 3.3Å; N9-E11 PolarHBondContact O-N 2.9Å; N9-L12 WeakPolarHBondContact O-CB 3.31Å; N9-L12 PolarHBondContact O-N 3.2Å; N9-L12 VanDerWaalsContact O-N 3.11Å; N9-L12 WeakPolarHBondContact OD1-CD1 3.41Å; N9-L12 VanDerWaalsContact OD1-CG 3.26Å; N9-L12 WeakPolarHBondContact OD1-CG 3.46Å; N9-I34 HydrophobicContact CB-CD1 3.77Å; N9-I34 HydrophobicContact CB-CG1 3.8Å; N9-H78 WeakPolarHBondContact OD1-CA 3.19Å; N9-V79 PolarHBondContact N-O 3.17Å; N9-V79 VanDerWaalsContact N-O 3.12Å; N9-V79 PolarHBondContact OD1-N 3.05Å; N9-V79 PolarHBondContact OD1-O 3.33Å
10H89.2Confident88Confident98 Ų9861.8 Ų61.845%0.45428%0.283SS..THydrogen-bonded Turntrans-61.9-37.6-168.3-170.879.7000112.7L12 R13 D31H10-L12 PolarHBondContact O-N 3.14Å; H10-R13 WeakPolarHBondContact O-CB 3.35Å; H10-R13 PolarHBondContact O-N 3.24Å; H10-D31 WeakPolarHBondContact CB-OD1 3.24Å; H10-D31 PolarHBondContact N-OD1 2.56Å
11E85.7Confident87.8Confident59 Ų5962.6 Ų62.628%0.27629%0.293SS..THydrogen-bonded Turntrans-57.2-31.6177.8-176.7175.9-17800113.5N9 R13 V14 Y15 K60N9-E11 VanDerWaalsContact C-N 3.3Å; N9-E11 PolarHBondContact O-N 2.9Å; E11-R13 PolarHBondContact O-N 3.43Å; E11-V14 PolarHBondContact O-N 2.9Å; E11-Y15 HydrophobicContact CG-CE2 4.16Å; E11-Y15 WeakPolarHBondContact O-CD2 3.26Å; E11-K60 WeakPolarHBondContact OE2-CE 3.45Å; E11-K60 IonicContact OE2-NZ 3.91Å; E11-K60 PolarHBondContact OE2-NZ 3.17Å
12L86.6Confident88.1Confident6 Ų654.6 Ų54.63%0.03125%0.253CS..Hα-helixtrans-66.7-17.9177.1-72177.8000113A8 N9 H10 V14 Y15 W16 L19 F29 H78 I80A8-L12 HydrophobicContact CB-CB 4.47Å; A8-L12 HydrophobicContact CB-CD1 4.02Å; N9-L12 WeakPolarHBondContact O-CB 3.31Å; N9-L12 PolarHBondContact O-N 3.2Å; N9-L12 VanDerWaalsContact O-N 3.11Å; N9-L12 WeakPolarHBondContact OD1-CD1 3.41Å; N9-L12 VanDerWaalsContact OD1-CG 3.26Å; N9-L12 WeakPolarHBondContact OD1-CG 3.46Å; H10-L12 PolarHBondContact O-N 3.14Å; L12-V14 VanDerWaalsContact C-N 3.28Å; L12-V14 PolarHBondContact O-N 3.34Å; L12-Y15 CarbonylContact O-C 3.56Å; L12-Y15 PolarHBondContact O-N 3.02Å; L12-W16 PolarHBondContact O-N 3.4Å; L12-L19 HydrophobicContact CB-CD1 4.42Å; L12-L19 HydrophobicContact CD2-CD1 3.75Å; L12-F29 HydrophobicContact CB-CE1 4.48Å; L12-H78 HydrophobicContact CD1-CB 4.18Å; L12-H78 HydrophobicContact CD2-CB 3.96Å; L12-H78 HydrophobicContact CG-CB 4.28Å; L12-I80 HydrophobicContact CD1-CD1 3.85Å; L12-I80 HydrophobicContact CD1-CG1 3.43Å; L12-I80 VanDerWaalsContact CD1-CG1 3.43Å
13R87.7Confident88.2Confident156 Ų15654.2 Ų54.259%0.58925%0.248SC*.Hα-helixtrans-60-39.4179.8-172.5175.5178.9149.2-0112H10 E11 Y15 W16 F29H10-R13 WeakPolarHBondContact O-CB 3.35Å; H10-R13 PolarHBondContact O-N 3.24Å; E11-R13 PolarHBondContact O-N 3.43Å; R13-Y15 VanDerWaalsContact C-N 3.33Å; R13-W16 WeakPolarHBondContact O-CB 3.33Å; R13-W16 PolarHBondContact O-N 3.09Å; R13-F29 HydrophobicContact CB-CD1 3.88Å; R13-F29 HydrophobicContact CB-CE1 4.3Å; R13-F29 HydrophobicContact CB-CG 4.17Å; R13-F29 HydrophobicContact CG-CD1 4.49Å; R13-F29 HydrophobicContact CG-CG 4.41Å
14V83.9Confident88.2Confident117 Ų11753.2 Ų53.271%0.70925%0.245SC*.Hα-helixtrans-67.4-36.7-179.9-179.70000111E11 L12 W16E11-V14 PolarHBondContact O-N 2.9Å; L12-V14 VanDerWaalsContact C-N 3.28Å; L12-V14 PolarHBondContact O-N 3.34Å; V14-W16 VanDerWaalsContact C-N 3.34Å
15Y83.3Confident88.1Confident123 Ų12357.1 Ų57.148%0.48227%0.27SS..Hα-helixtrans-88.3-1.7179.6-53.6-72.2000113.3E11 L12 R13 Y17 H18 L19E11-Y15 HydrophobicContact CG-CE2 4.16Å; E11-Y15 WeakPolarHBondContact O-CD2 3.26Å; L12-Y15 CarbonylContact O-C 3.56Å; L12-Y15 PolarHBondContact O-N 3.02Å; R13-Y15 VanDerWaalsContact C-N 3.33Å; Y15-Y17 PolarHBondContact O-N 3.19Å; Y15-H18 PolarHBondContact O-N 2.96Å; Y15-L19 PolarHBondContact O-N 3.3Å
16W86.4Confident88Confident20 Ų2056.9 Ų56.98%0.07627%0.27CS..Hα-helixtrans-61.8-32.1-170.4-161.8-101.8000112.9L12 R13 V14 H18 L19 Q20 N24 T25 P26 F29 I80L12-W16 PolarHBondContact O-N 3.4Å; R13-W16 WeakPolarHBondContact O-CB 3.33Å; R13-W16 PolarHBondContact O-N 3.09Å; V14-W16 VanDerWaalsContact C-N 3.34Å; W16-H18 PolarHBondContact O-N 3.19Å; W16-L19 HydrophobicContact CD2-CB 4.49Å; W16-L19 HydrophobicContact CE3-CB 4.17Å; W16-L19 HydrophobicContact CE3-CD1 4Å; W16-L19 HydrophobicContact CZ3-CB 4.39Å; W16-L19 HydrophobicContact CZ3-CD1 4.25Å; W16-L19 PolarHBondContact O-N 3.32Å; W16-Q20 WeakPolarHBondContact O-CB 3.44Å; W16-Q20 PolarHBondContact O-N 2.86Å; W16-N24 VanDerWaalsContact CZ2-O 3.3Å; W16-N24 WeakPolarHBondContact CZ2-O 3.26Å; W16-T25 VanDerWaalsContact CZ2-CA 3.44Å; W16-T25 PolarHBondContact NE1-OG1 3.07Å; W16-P26 HydrophobicContact CH2-CG 4.18Å; W16-P26 HydrophobicContact CZ3-CG 4.41Å; W16-F29 HydrophobicContact CB-CZ 4.38Å; W16-F29 AromaticContact CD2-CE1 3.92Å; W16-F29 HydrophobicContact CD2-CE1 3.92Å; W16-F29 AromaticContact CD2-CZ 3.48Å; W16-F29 HydrophobicContact CD2-CZ 3.48Å; W16-F29 VanDerWaalsContact CD2-CZ 3.48Å; W16-F29 AromaticContact CE2-CZ 3.99Å; W16-F29 AromaticContact CE3-CE1 3.55Å; W16-F29 HydrophobicContact CE3-CE1 3.55Å; W16-F29 AromaticContact CE3-CZ 3.6Å; W16-F29 HydrophobicContact CE3-CZ 3.6Å; W16-F29 HydrophobicContact CG-CE1 4.36Å; W16-F29 AromaticContact CG-CZ 3.79Å; W16-F29 HydrophobicContact CG-CZ 3.79Å; W16-F29 HydrophobicContact CZ3-CE1 4.1Å; W16-F29 HydrophobicContact CZ3-CZ 4.19Å; W16-I80 HydrophobicContact CZ3-CD1 4.25Å
17Y83.8Confident88Confident167 Ų16764.6 Ų64.666%0.65530%0.298SS*.Hα-helixtrans-56.8-30175.1178.7-97.9000113.4Y15 Q20Y15-Y17 PolarHBondContact O-N 3.19Å; Y17-Q20 VanDerWaalsContact CD2-NE2 3.25Å; Y17-Q20 WeakPolarHBondContact O-CG 3.39Å; Y17-Q20 PolarHBondContact O-NE2 3.32Å
18H81Confident87.9Confident111 Ų11167.4 Ų67.451%0.51431%0.313SS..Hα-helixtrans-88.8-40.9174.6-61-66000111.4Y15 W16 Q20 T21Y15-H18 PolarHBondContact O-N 2.96Å; W16-H18 PolarHBondContact O-N 3.19Å; H18-Q20 VanDerWaalsContact C-N 3.27Å; H18-Q20 PolarHBondContact O-N 3.45Å; H18-T21 WeakPolarHBondContact O-CB 3.27Å; H18-T21 PolarHBondContact O-N 2.98Å; H18-T21 PolarHBondContact O-OG1 2.98Å
19L84.1Confident87.9Confident21 Ų2169 Ų6911%0.1132%0.32CS..Hα-helixtrans-66.1-27.9-177.8-64.9173.3000113.5L12 Y15 W16 T21 W22 Y23L12-L19 HydrophobicContact CB-CD1 4.42Å; L12-L19 HydrophobicContact CD2-CD1 3.75Å; Y15-L19 PolarHBondContact O-N 3.3Å; W16-L19 HydrophobicContact CD2-CB 4.49Å; W16-L19 HydrophobicContact CE3-CB 4.17Å; W16-L19 HydrophobicContact CE3-CD1 4Å; W16-L19 HydrophobicContact CZ3-CB 4.39Å; W16-L19 HydrophobicContact CZ3-CD1 4.25Å; W16-L19 PolarHBondContact O-N 3.32Å; L19-T21 PolarHBondContact O-N 3Å; L19-W22 PolarHBondContact O-N 3.22Å; L19-Y23 HydrophobicContact CB-CD2 4.23Å; L19-Y23 HydrophobicContact CD2-CE2 4.4Å; L19-Y23 PolarHBondContact O-N 3.37Å
20Q87.5Confident87.9Confident59 Ų5969.9 Ų69.928%0.27633%0.325SS..THydrogen-bonded Turntrans-60-16176.169.2-179.1-20.200113.1W16 Y17 H18 W22 Y23 R89W16-Q20 WeakPolarHBondContact O-CB 3.44Å; W16-Q20 PolarHBondContact O-N 2.86Å; Y17-Q20 VanDerWaalsContact CD2-NE2 3.25Å; Y17-Q20 WeakPolarHBondContact O-CG 3.39Å; Y17-Q20 PolarHBondContact O-NE2 3.32Å; H18-Q20 VanDerWaalsContact C-N 3.27Å; H18-Q20 PolarHBondContact O-N 3.45Å; Q20-W22 PolarHBondContact O-N 2.95Å; Q20-Y23 WeakPolarHBondContact CA-O 3.13Å; Q20-R89 WeakPolarHBondContact O-CD 3.32Å; Q20-R89 PolarHBondContact O-NE 3.34Å; Q20-R89 PolarHBondContact O-NH1 3.24Å
21T83.9Confident87.9Confident79 Ų7969.3 Ų69.349%0.48533%0.326SS..THydrogen-bonded Turntrans-58.5-33.6171.3-520000111.2H18 L19H18-T21 WeakPolarHBondContact O-CB 3.27Å; H18-T21 PolarHBondContact O-N 2.98Å; H18-T21 PolarHBondContact O-OG1 2.98Å; L19-T21 PolarHBondContact O-N 3Å
22W84.8Confident88Confident9 Ų971.2 Ų71.23%0.03433%0.33CS..THydrogen-bonded Turntrans-115.3-29.4-173.3-60.1-69.8000114.3L19 Q20 R89 L118 P119 L125L19-W22 PolarHBondContact O-N 3.22Å; Q20-W22 PolarHBondContact O-N 2.95Å; W22-R89 PolarHBondContact O-N 3.21Å; W22-L118 HydrophobicContact CB-CD1 4.08Å; W22-L118 HydrophobicContact CB-CD2 3.76Å; W22-L118 HydrophobicContact CB-CG 4.41Å; W22-L118 HydrophobicContact CD2-CD1 3.81Å; W22-L118 HydrophobicContact CE3-CD1 4.21Å; W22-L118 HydrophobicContact CG-CB 4.18Å; W22-L118 HydrophobicContact CG-CD1 3.75Å; W22-L118 HydrophobicContact CG-CD2 4.01Å; W22-L118 HydrophobicContact CG-CG 4.19Å; W22-P119 PolarHBondContact NE1-O 3.12Å; W22-L125 HydrophobicContact CH2-CD1 4.47Å; W22-L125 HydrophobicContact CZ2-CB 4.13Å; W22-L125 HydrophobicContact CZ2-CD1 4.04Å
23Y89.9Confident88.1Confident10 Ų1070.9 Ų70.94%0.03933%0.329CS..BIsolated β-bridgetrans-116146.7-174-56.9-70.2000112.1L19 Q20 L56 I80 L87 F88 L118L19-Y23 HydrophobicContact CB-CD2 4.23Å; L19-Y23 HydrophobicContact CD2-CE2 4.4Å; L19-Y23 PolarHBondContact O-N 3.37Å; Q20-Y23 WeakPolarHBondContact CA-O 3.13Å; Y23-L56 HydrophobicContact CD1-CD1 4.33Å; Y23-L56 HydrophobicContact CE1-CD1 3.47Å; Y23-L56 VanDerWaalsContact CE1-CD1 3.47Å; Y23-I80 HydrophobicContact CD2-CD1 4.44Å; Y23-I80 HydrophobicContact CE2-CD1 4.45Å; Y23-L87 CarbonylContact C-O 3.57Å; Y23-L87 VanDerWaalsContact CA-O 3.26Å; Y23-L87 WeakPolarHBondContact CA-O 3.47Å; Y23-L87 HydrophobicContact CD1-CD1 4.37Å; Y23-L87 HydrophobicContact CD1-CG 4.21Å; Y23-F88 HydrophobicContact CD1-CD1 4Å; Y23-F88 HydrophobicContact CD1-CE1 4.17Å; Y23-F88 AromaticContact CE1-CD1 3.73Å; Y23-F88 HydrophobicContact CE1-CD1 3.73Å; Y23-F88 AromaticContact CE1-CE1 3.47Å; Y23-F88 HydrophobicContact CE1-CE1 3.47Å; Y23-F88 VanDerWaalsContact CE1-CE1 3.47Å; Y23-F88 HydrophobicContact CE1-CZ 4.27Å; Y23-L118 HydrophobicContact CE1-CD2 4.26Å; Y23-L118 HydrophobicContact CE2-CD1 4.36Å
24N92.8Very high88Confident64 Ų6465.9 Ų65.934%0.34231%0.313SS..PPolyproline II helixtrans-81148.1164.5-72.7-46.8000110.6W16 S86 L87 R89W16-N24 VanDerWaalsContact CZ2-O 3.3Å; W16-N24 WeakPolarHBondContact CZ2-O 3.26Å; N24-S86 VanDerWaalsContact CB-O 3.24Å; N24-S86 WeakPolarHBondContact CB-O 3.04Å; N24-S86 PolarHBondContact ND2-O 2.83Å; N24-L87 PolarHBondContact N-O 3.19Å; N24-R89 WeakPolarHBondContact OD1-CG 3.44Å; N24-R89 PolarHBondContact OD1-NE 3.31Å
25T92.7Very high88Confident83 Ų8364.3 Ų64.351%0.50930%0.304SS..PPolyproline II helixtrans-61.4124.2-176.4-52.80000111.1W16 F29W16-T25 VanDerWaalsContact CZ2-CA 3.44Å; W16-T25 PolarHBondContact NE1-OG1 3.07Å; T25-F29 HydrophobicContact CG2-CE2 3.93Å; T25-F29 HydrophobicContact CG2-CZ 4.31Å
26P93.2Very high88Confident8 Ų859.1 Ų59.15%0.05228%0.284CS..PPolyproline II helixtrans-66.2156.9175.729.2-36.2000110A8 W16 N28 F29A8-P26 HydrophobicContact CB-CB 4.4Å; A8-P26 HydrophobicContact CB-CG 3.67Å; W16-P26 HydrophobicContact CH2-CG 4.18Å; W16-P26 HydrophobicContact CZ3-CG 4.41Å; P26-N28 PolarHBondContact O-N 2.91Å; P26-F29 HydrophobicContact CG-CD2 4.44Å; P26-F29 HydrophobicContact CG-CE1 3.96Å; P26-F29 HydrophobicContact CG-CE2 3.87Å; P26-F29 HydrophobicContact CG-CZ 3.61Å
27R94.5Very high87.8Confident167 Ų16760.4 Ų60.463%0.6330%0.296SS*.SBendtrans-65-27.4-179.4-63.5-66.9-176.6168.30.3113.4S6 A45 E47S6-R27 PolarHBondContact OG-N 2.75Å; R27-A45 HydrophobicContact CB-CB 3.41Å; R27-A45 VanDerWaalsContact CB-CB 3.41Å; R27-A45 HydrophobicContact CG-CB 4.38Å; R27-E47 HydrophobicContact CG-CB 4.35Å
28N92.9Very high87.7Confident58 Ų5861.7 Ų61.731%0.3131%0.305SS..EExtended strand (participates in β ladder)trans-147.6139.5179.7-172.4-139000114S6 C7 A8 P26 T30 A45S6-N28 PolarHBondContact O-N 2.83Å; C7-N28 CarbonylContact C-O 3.42Å; C7-N28 WeakPolarHBondContact CA-O 3.4Å; C7-N28 WeakPolarHBondContact CB-O 3.4Å; A8-N28 PolarHBondContact N-O 2.75Å; P26-N28 PolarHBondContact O-N 2.91Å; N28-T30 VanDerWaalsContact OD1-CG2 3.23Å; N28-T30 WeakPolarHBondContact OD1-CG2 3.09Å; N28-A45 HydrophobicContact CB-CB 4.12Å
29F92.6Very high87.7Confident33 Ų3365.9 Ų65.915%0.14532%0.317CS..EExtended strand (participates in β ladder)trans-101.8109.5171.2-71.2-91000109.9A8 L12 R13 W16 T25 P26A8-F29 HydrophobicContact CB-CD1 3.79Å; A8-F29 HydrophobicContact CB-CE1 3.78Å; A8-F29 CarbonylContact O-C 3.59Å; A8-F29 VanDerWaalsContact O-CA 3.27Å; A8-F29 WeakPolarHBondContact O-CA 3.18Å; L12-F29 HydrophobicContact CB-CE1 4.48Å; R13-F29 HydrophobicContact CB-CD1 3.88Å; R13-F29 HydrophobicContact CB-CE1 4.3Å; R13-F29 HydrophobicContact CB-CG 4.17Å; R13-F29 HydrophobicContact CG-CD1 4.49Å; R13-F29 HydrophobicContact CG-CG 4.41Å; W16-F29 HydrophobicContact CB-CZ 4.38Å; W16-F29 AromaticContact CD2-CE1 3.92Å; W16-F29 HydrophobicContact CD2-CE1 3.92Å; W16-F29 AromaticContact CD2-CZ 3.48Å; W16-F29 HydrophobicContact CD2-CZ 3.48Å; W16-F29 VanDerWaalsContact CD2-CZ 3.48Å; W16-F29 AromaticContact CE2-CZ 3.99Å; W16-F29 AromaticContact CE3-CE1 3.55Å; W16-F29 HydrophobicContact CE3-CE1 3.55Å; W16-F29 AromaticContact CE3-CZ 3.6Å; W16-F29 HydrophobicContact CE3-CZ 3.6Å; W16-F29 HydrophobicContact CG-CE1 4.36Å; W16-F29 AromaticContact CG-CZ 3.79Å; W16-F29 HydrophobicContact CG-CZ 3.79Å; W16-F29 HydrophobicContact CZ3-CE1 4.1Å; W16-F29 HydrophobicContact CZ3-CZ 4.19Å; T25-F29 HydrophobicContact CG2-CE2 3.93Å; T25-F29 HydrophobicContact CG2-CZ 4.31Å; P26-F29 HydrophobicContact CG-CD2 4.44Å; P26-F29 HydrophobicContact CG-CE1 3.96Å; P26-F29 HydrophobicContact CG-CE2 3.87Å; P26-F29 HydrophobicContact CG-CZ 3.61Å
30T90.5Very high87.6Confident19 Ų1966.1 Ų66.112%0.11732%0.318CS..  trans-156.7138.6-175.3-177.70000111.3C7 A8 N28 R32 C33 I44C7-T30 HydrophobicContact CB-CG2 4.45Å; A8-T30 PolarHBondContact O-N 3.41Å; N28-T30 VanDerWaalsContact OD1-CG2 3.23Å; N28-T30 WeakPolarHBondContact OD1-CG2 3.09Å; T30-R32 HydrophobicContact CG2-CB 3.98Å; T30-R32 PolarHBondContact O-N 3.27Å; T30-R32 WeakPolarHBondContact OG1-CB 3.26Å; T30-R32 WeakPolarHBondContact OG1-CG 3.21Å; T30-R32 PolarHBondContact OG1-N 2.85Å; T30-C33 HydrophobicContact CG2-CB 4.42Å; T30-C33 WeakPolarHBondContact O-CB 3.39Å; T30-C33 PolarHBondContact O-N 3.15Å; T30-I44 HydrophobicContact CG2-CG1 4.26Å
31D87.8Confident87.4Confident86 Ų8664.1 Ų64.146%0.4631%0.31SS..THydrogen-bonded Turntrans-69.2-15.2177.3-63.9-33.3000112.9H10 C33 I34H10-D31 WeakPolarHBondContact CB-OD1 3.24Å; H10-D31 PolarHBondContact N-OD1 2.56Å; D31-C33 PolarHBondContact O-N 2.79Å; D31-C33 VanDerWaalsContact O-N 3.13Å; D31-I34 VanDerWaalsContact O-CB 3.31Å; D31-I34 WeakPolarHBondContact O-CB 3.1Å; D31-I34 WeakPolarHBondContact O-CG1 3.41Å; D31-I34 PolarHBondContact O-N 3.23Å
32R88Confident87.5Confident99 Ų9968.4 Ų68.437%0.37433%0.325SS..Hα-helixtrans-56.4-24.2167.1-66.7-175.9-176.9144.7-1.9113T30 I34 T35 M36 D40 I44T30-R32 HydrophobicContact CG2-CB 3.98Å; T30-R32 PolarHBondContact O-N 3.27Å; T30-R32 WeakPolarHBondContact OG1-CB 3.26Å; T30-R32 WeakPolarHBondContact OG1-CG 3.21Å; T30-R32 PolarHBondContact OG1-N 2.85Å; R32-I34 PolarHBondContact O-N 2.88Å; R32-T35 PolarHBondContact O-N 3.33Å; R32-T35 PolarHBondContact O-OG1 3.46Å; R32-M36 PolarHBondContact O-N 2.85Å; R32-D40 HydrophobicContact CB-CB 3.89Å; R32-D40 HydrophobicContact CG-CB 4.17Å; R32-D40 WeakPolarHBondContact CG-OD1 3.37Å; R32-D40 IonicContact NE-OD1 2.56Å; R32-I44 HydrophobicContact CB-CD1 4.18Å; R32-I44 HydrophobicContact CB-CG1 4.33Å
33C88.8Confident87.6Confident0 Ų072.7 Ų72.70%035%0.345CS..Hα-helixtrans-62.3-26.2175-160.80000112.7C7 T30 D31 R81C7-C33 HydrophobicContact CB-CB 3.69Å; C7-C33 WeakPolarHBondContact CB-SG 3.38Å; C7-C33 PolarHBondContact O-SG 3.11Å; C7-C33 VanDerWaalsContact SG-CA 3.54Å; C7-C33 WeakPolarHBondContact SG-CB 3.43Å; C7-C33 CovalentContact SG-SG 2.04Å; C7-C33 PolarHBondContact SG-SG 3.26Å; T30-C33 HydrophobicContact CG2-CB 4.42Å; T30-C33 WeakPolarHBondContact O-CB 3.39Å; T30-C33 PolarHBondContact O-N 3.15Å; D31-C33 PolarHBondContact O-N 2.79Å; D31-C33 VanDerWaalsContact O-N 3.13Å; C33-R81 PolarHBondContact O-NE 2.79Å; C33-R81 PolarHBondContact O-NH2 3.19Å; C33-R81 VanDerWaalsContact O-NH2 3.09Å
34I86.8Confident87.6Confident50 Ų5072.6 Ų72.626%0.25635%0.345SS..Hα-helixtrans-75.9-51.1178.5-56.2174.1000110N9 D31 R32 V79 S147N9-I34 HydrophobicContact CB-CD1 3.77Å; N9-I34 HydrophobicContact CB-CG1 3.8Å; D31-I34 VanDerWaalsContact O-CB 3.31Å; D31-I34 WeakPolarHBondContact O-CB 3.1Å; D31-I34 WeakPolarHBondContact O-CG1 3.41Å; D31-I34 PolarHBondContact O-N 3.23Å; R32-I34 PolarHBondContact O-N 2.88Å; I34-V79 HydrophobicContact CG1-CB 4.37Å; I34-V79 HydrophobicContact CG1-CG2 4.16Å; I34-V79 HydrophobicContact CG2-CG2 4.45Å; I34-S147 PolarHBondContact O-OG 2.93Å; I34-S147 VanDerWaalsContact O-OG 3.08Å
35T83Confident87.6Confident85 Ų8571.1 Ų71.152%0.52134%0.342SS..Hα-helixtrans-79.1-41-171.948.10000112.6R32 S37 D40 S147R32-T35 PolarHBondContact O-N 3.33Å; R32-T35 PolarHBondContact O-OG1 3.46Å; T35-S37 PolarHBondContact O-N 2.92Å; T35-D40 PolarHBondContact OG1-OD2 3.22Å; T35-S147 PolarHBondContact O-OG 3.27Å
36M83.8Confident87.6Confident13 Ų1369.9 Ų69.96%0.06433%0.332CS..  trans47.738-173.6-60.8-59.8-63.900113.2Y5 R32 I44 A145Y5-M36 HydrophobicContact CD1-CE 3.9Å; Y5-M36 HydrophobicContact CD2-CE 3.31Å; Y5-M36 HydrophobicContact CE1-CE 4.24Å; Y5-M36 HydrophobicContact CE2-CE 3.7Å; Y5-M36 HydrophobicContact CG-CE 3.42Å; Y5-M36 VanDerWaalsContact CG-CE 3.42Å; R32-M36 PolarHBondContact O-N 2.85Å; M36-I44 HydrophobicContact CE-CD1 3.7Å; M36-I44 HydrophobicContact SD-CD1 3.17Å; M36-I44 WeakPolarHBondContact SD-CD1 3.23Å; M36-A145 HydrophobicContact CB-CB 4.36Å; M36-A145 WeakPolarHBondContact CB-O 3.3Å; M36-A145 HydrophobicContact CE-CB 3.76Å; M36-A145 WeakPolarHBondContact CG-O 2.74Å
37S82.6Confident87.7Confident47 Ų4770.4 Ų70.433%0.32933%0.334SS..  trans-61.8161173.679.30000110.6T35 R39 D40 C41T35-S37 PolarHBondContact O-N 2.92Å; S37-R39 PolarHBondContact O-N 3.02Å; S37-R39 VanDerWaalsContact O-N 3.12Å; S37-D40 WeakPolarHBondContact CB-OD2 3.2Å; S37-D40 PolarHBondContact N-OD2 3.2Å; S37-D40 VanDerWaalsContact N-OD2 3.16Å; S37-D40 WeakPolarHBondContact O-CB 2.79Å; S37-D40 PolarHBondContact O-N 3.28Å; S37-D40 PolarHBondContact OG-N 3.24Å; S37-D40 PolarHBondContact OG-OD2 2.98Å; S37-C41 PolarHBondContact O-N 3.16Å; S37-C41 PolarHBondContact O-SG 3.26Å
38K81.1Confident87.6Confident195 Ų19566.4 Ų66.485%0.84833%0.329SS*.THydrogen-bonded Turntrans-53.5-36.2179.1-71-175.5178.2-179.30112.7
39R81.1Confident87.5Confident199 Ų19963.7 Ų63.775%0.75132%0.315SS*.THydrogen-bonded Turntrans-72.3-43.6176.2-66.7-171.9-71.6-165.5-2111.4S37 C41 Q42S37-R39 PolarHBondContact O-N 3.02Å; S37-R39 VanDerWaalsContact O-N 3.12Å; R39-C41 VanDerWaalsContact C-N 3.3Å; R39-C41 PolarHBondContact O-N 3.48Å; R39-Q42 PolarHBondContact O-N 2.86Å
40D82.2Confident87.2Confident25 Ų2570.3 Ų70.313%0.13435%0.346CS..G310 helixtrans-61-39.7179.5-66.5-30.5000112.2R32 T35 S37 Q42 Q43 I44R32-D40 HydrophobicContact CB-CB 3.89Å; R32-D40 HydrophobicContact CG-CB 4.17Å; R32-D40 WeakPolarHBondContact CG-OD1 3.37Å; R32-D40 IonicContact NE-OD1 2.56Å; T35-D40 PolarHBondContact OG1-OD2 3.22Å; S37-D40 WeakPolarHBondContact CB-OD2 3.2Å; S37-D40 PolarHBondContact N-OD2 3.2Å; S37-D40 VanDerWaalsContact N-OD2 3.16Å; S37-D40 WeakPolarHBondContact O-CB 2.79Å; S37-D40 PolarHBondContact O-N 3.28Å; S37-D40 PolarHBondContact OG-N 3.24Å; S37-D40 PolarHBondContact OG-OD2 2.98Å; D40-Q42 PolarHBondContact O-N 3.36Å; D40-Q42 VanDerWaalsContact O-N 3.1Å; D40-Q43 PolarHBondContact O-N 2.72Å; D40-I44 WeakPolarHBondContact O-CG1 3.33Å; D40-I44 PolarHBondContact O-N 2.94Å
41C82.7Confident87Confident17 Ų1770.6 Ų70.612%0.11535%0.349CS..G310 helixtrans-55.4-29.8-179.4-73.20000113.6Y5 S37 R39 Q43Y5-C41 HydrophobicContact CE1-CB 4.19Å; Y5-C41 WeakPolarHBondContact CE1-O 3.41Å; Y5-C41 WeakPolarHBondContact OH-CB 3.5Å; S37-C41 PolarHBondContact O-N 3.16Å; S37-C41 PolarHBondContact O-SG 3.26Å; R39-C41 VanDerWaalsContact C-N 3.3Å; R39-C41 PolarHBondContact O-N 3.48Å; C41-Q43 PolarHBondContact O-N 3.14Å
42Q85.3Confident87.1Confident169 Ų16968 Ų6879%0.7933%0.334SS*.G310 helixtrans-70.7-20.6179.3-64.3178.9-29.200112.6R39 D40R39-Q42 PolarHBondContact O-N 2.86Å; D40-Q42 PolarHBondContact O-N 3.36Å; D40-Q42 VanDerWaalsContact O-N 3.1Å
43Q87.1Confident87.4Confident99 Ų9963.2 Ų63.246%0.46332%0.316SS..G310 helixtrans-107.97.1-175.1-65.9165-36.500112.3D40 C41D40-Q43 PolarHBondContact O-N 2.72Å; C41-Q43 PolarHBondContact O-N 3.14Å
44I90.3Very high87.5Confident8 Ų863.2 Ų63.24%0.04132%0.316CS..SBendtrans-103.7126.4179-64.4172.8000108.4Y5 C7 T30 R32 M36 D40Y5-I44 HydrophobicContact CD1-CB 3.84Å; Y5-I44 HydrophobicContact CD1-CG2 3.58Å; Y5-I44 HydrophobicContact CE1-CB 4.36Å; Y5-I44 HydrophobicContact CG-CG2 4.1Å; C7-I44 HydrophobicContact CB-CG2 3.81Å; T30-I44 HydrophobicContact CG2-CG1 4.26Å; R32-I44 HydrophobicContact CB-CD1 4.18Å; R32-I44 HydrophobicContact CB-CG1 4.33Å; M36-I44 HydrophobicContact CE-CD1 3.7Å; M36-I44 HydrophobicContact SD-CD1 3.17Å; M36-I44 WeakPolarHBondContact SD-CD1 3.23Å; D40-I44 WeakPolarHBondContact O-CG1 3.33Å; D40-I44 PolarHBondContact O-N 2.94Å
45A93Very high87.8Confident34 Ų3461.5 Ų61.528%0.28131%0.308SS..  trans-62.4146.4179.600000111.5S6 R27 N28S6-A45 PolarHBondContact N-O 3.09Å; R27-A45 HydrophobicContact CB-CB 3.41Å; R27-A45 VanDerWaalsContact CB-CB 3.41Å; R27-A45 HydrophobicContact CG-CB 4.38Å; N28-A45 HydrophobicContact CB-CB 4.12Å
46L92.9Very high88.2Confident57 Ų5757.6 Ų57.630%0.29828%0.284SS..EExtended strand (participates in β ladder)trans-108.4149176.1-60.9162.8000109.5C4 Y5 R142C4-L46 VanDerWaalsContact O-CA 3.29Å; C4-L46 WeakPolarHBondContact O-CA 3.1Å; Y5-L46 HydrophobicContact CD1-CD2 3.53Å; Y5-L46 HydrophobicContact CE1-CD2 3.63Å; Y5-L46 HydrophobicContact CG-CD2 4.14Å; L46-R142 HydrophobicContact CD2-CG 4.09Å
47E93.8Very high88.5Confident18 Ų1860.3 Ų60.38%0.08429%0.294CS..EExtended strand (participates in β ladder)trans-127143.9167.966.8-178.7138.900110.4C4 S6 R27 C49 G82 C83 S86C4-E47 PolarHBondContact N-O 3.01Å; C4-E47 PolarHBondContact O-N 3.18Å; S6-E47 WeakPolarHBondContact CB-OE1 3.07Å; S6-E47 PolarHBondContact OG-OE1 2.85Å; R27-E47 HydrophobicContact CG-CB 4.35Å; E47-C49 PolarHBondContact O-N 3.02Å; E47-G82 WeakPolarHBondContact OE1-CA 3.49Å; E47-C83 WeakPolarHBondContact CG-SG 3.02Å; E47-C83 PolarHBondContact OE1-N 3.11Å; E47-S86 PolarHBondContact OE2-OG 3.1Å
48P93.3Very high88.6Confident83 Ų8359.6 Ų59.654%0.53929%0.285SS..EExtended strand (participates in β ladder)trans-72.8124.6172.529.7-32.6000109.7
49C91Very high88.1Confident2 Ų255.6 Ų55.61%0.01427%0.27CS..EExtended strand (participates in β ladder)trans-109.7127.5-179.6-57.50000110.9A2 C4 E47 S51 C83A2-C49 PolarHBondContact N-O 3.17Å; A2-C49 VanDerWaalsContact N-O 3.1Å; A2-C49 PolarHBondContact O-N 3.45Å; C4-C49 WeakPolarHBondContact CB-SG 3.21Å; C4-C49 PolarHBondContact SG-SG 3.37Å; E47-C49 PolarHBondContact O-N 3.02Å; C49-S51 VanDerWaalsContact C-N 3.27Å; C49-S51 WeakPolarHBondContact CB-O 3.46Å; C49-C83 WeakPolarHBondContact CA-SG 3.36Å; C49-C83 HydrophobicContact CB-CB 3.66Å; C49-C83 WeakPolarHBondContact CB-SG 3.41Å; C49-C83 VanDerWaalsContact SG-CA 3.5Å; C49-C83 WeakPolarHBondContact SG-CB 3.37Å; C49-C83 CovalentContact SG-SG 2Å; C49-C83 PolarHBondContact SG-SG 3.17Å
50Q86.8Confident87.5Confident171 Ų17147.7 Ų47.780%0.79924%0.241SC*.SBendtrans-78.9-18.9165.2-62.9-177.53.800111.3M1M1-Q50 HydrophobicContact CE-CG 4.25Å
51S86Confident86.1Confident25 Ų2551.2 Ų51.218%0.17526%0.263CS..SBendtrans-108.2-173.1177.173.70000112.3C49 L84 S85C49-S51 VanDerWaalsContact C-N 3.27Å; C49-S51 WeakPolarHBondContact CB-O 3.46Å; S51-L84 PolarHBondContact OG-N 3.06Å; S51-S85 PolarHBondContact OG-N 3.28Å; S51-S85 PolarHBondContact OG-OG 2.87Å
52Q89.8Confident84.2Confident31 Ų3157.7 Ų57.715%0.14529%0.285CS..  trans-60.6156.3168-51.487.5-22.400112.2L84 L102 V137 C138 Y139Q52-L84 HydrophobicContact CB-CB 4.49Å; Q52-L84 PolarHBondContact O-N 3.32Å; Q52-L102 PolarHBondContact NE2-O 3.08Å; Q52-V137 HydrophobicContact CB-CG1 3.33Å; Q52-V137 HydrophobicContact CG-CG1 3.69Å; Q52-C138 WeakPolarHBondContact CB-O 3.04Å; Q52-Y139 HydrophobicContact CG-CD1 3.81Å; Q52-Y139 HydrophobicContact CG-CD2 4.11Å; Q52-Y139 HydrophobicContact CG-CE1 3.28Å; Q52-Y139 HydrophobicContact CG-CE2 3.56Å; Q52-Y139 HydrophobicContact CG-CG 4.21Å; Q52-Y139 WeakPolarHBondContact CG-OH 3.08Å; Q52-Y139 PolarHBondContact NE2-OH 3.32Å
53C93.4Very high82.2Confident0 Ų055.1 Ų55.10%028%0.283CS..EExtended strand (participates in β ladder)trans-79.8146.1166-500000110C4 V137 C138 G140 N144C4-C53 HydrophobicContact CB-CB 3.64Å; C4-C53 WeakPolarHBondContact CB-SG 3.41Å; C4-C53 WeakPolarHBondContact SG-CA 3.41Å; C4-C53 WeakPolarHBondContact SG-CB 3.39Å; C4-C53 CovalentContact SG-SG 2.01Å; C4-C53 PolarHBondContact SG-SG 3.36Å; C53-V137 WeakPolarHBondContact O-CA 2.99Å; C53-C138 PolarHBondContact N-O 3.16Å; C53-C138 PolarHBondContact O-N 3.39Å; C53-G140 PolarHBondContact SG-O 2.87Å; C53-N144 HydrophobicContact CB-CB 3.58Å
54V92.5Very high79.9Confident0 Ų054.1 Ų54.10%029%0.286CS..EExtended strand (participates in β ladder)trans-127.3149.7177.263.10000111.4L56 R81 G82 L84 L87 M135 C136 V137 N144V54-L56 HydrophobicContact CG2-CD2 4.19Å; V54-L56 HydrophobicContact CG2-CG 4.45Å; V54-R81 WeakPolarHBondContact O-CA 3.41Å; V54-G82 WeakPolarHBondContact CG1-O 3.44Å; V54-G82 PolarHBondContact N-O 3.04Å; V54-G82 PolarHBondContact O-N 2.8Å; V54-L84 HydrophobicContact CB-CD1 4.34Å; V54-L84 HydrophobicContact CG2-CD1 4.37Å; V54-L87 HydrophobicContact CG1-CB 4.18Å; V54-L87 HydrophobicContact CG1-CD2 3.49Å; V54-L87 VanDerWaalsContact CG1-CD2 3.49Å; V54-L87 HydrophobicContact CG1-CG 4.48Å; V54-M135 HydrophobicContact CG2-CE 3.84Å; V54-M135 HydrophobicContact CG2-CG 3.99Å; V54-C136 CarbonylContact C-O 3.56Å; V54-C136 VanDerWaalsContact CA-O 3.31Å; V54-C136 WeakPolarHBondContact CA-O 3.47Å; V54-V137 HydrophobicContact CB-CG2 4.28Å; V54-V137 HydrophobicContact CG2-CG2 4Å; V54-N144 PolarHBondContact O-ND2 3.33Å
55T92.9Very high77.4Confident13 Ų1363.2 Ų63.28%0.0833%0.329CS..EExtended strand (participates in β ladder)trans-130.5121167.6-59.60000108.7V79 I80 R81 M135 C136T55-V79 HydrophobicContact CG2-CG1 4.17Å; T55-I80 CarbonylContact C-O 3.54Å; T55-I80 WeakPolarHBondContact CA-O 3.47Å; T55-R81 HydrophobicContact CG2-CG 4.04Å; T55-R81 PolarHBondContact OG1-NH1 2.79Å; T55-R81 VanDerWaalsContact OG1-NH1 3.12Å; T55-M135 CarbonylContact O-C 3.54Å; T55-M135 WeakPolarHBondContact O-CA 3.26Å; T55-C136 PolarHBondContact N-O 3.26Å; T55-C136 PolarHBondContact O-N 3.03Å
56L90.7Very high74.6Confident4 Ų464.1 Ų64.12%0.02134%0.341CS..EExtended strand (participates in β ladder)trans-100.4127.2169.6-59179.7000108.5Y23 V54 V79 I80 L87 F88 V133 N134 M135Y23-L56 HydrophobicContact CD1-CD1 4.33Å; Y23-L56 HydrophobicContact CE1-CD1 3.47Å; Y23-L56 VanDerWaalsContact CE1-CD1 3.47Å; V54-L56 HydrophobicContact CG2-CD2 4.19Å; V54-L56 HydrophobicContact CG2-CG 4.45Å; L56-V79 CarbonylContact O-C 3.49Å; L56-V79 VanDerWaalsContact O-CA 3.26Å; L56-V79 WeakPolarHBondContact O-CA 3.44Å; L56-I80 HydrophobicContact CB-CB 4.37Å; L56-I80 PolarHBondContact N-O 3.07Å; L56-I80 PolarHBondContact O-N 3.17Å; L56-L87 HydrophobicContact CD1-CD2 3.72Å; L56-L87 HydrophobicContact CG-CD2 4.04Å; L56-F88 HydrophobicContact CD1-CE1 4.17Å; L56-F88 HydrophobicContact CD1-CZ 3.83Å; L56-F88 HydrophobicContact CD2-CZ 4.17Å; L56-V133 HydrophobicContact CB-CG1 4.13Å; L56-V133 HydrophobicContact CD2-CG1 4.17Å; L56-N134 CarbonylContact C-O 3.53Å; L56-M135 HydrophobicContact CD2-CB 3.64Å; L56-M135 HydrophobicContact CD2-CG 3.54Å; L56-M135 HydrophobicContact CD2-SD 4.06Å
57R89.7Confident71.9Confident70 Ų7069.4 Ų69.426%0.26437%0.368SS..EExtended strand (participates in β ladder)trans-130.4113.6177.7-176.1173.2-179.2-179.30.7109.8H77 H78 V79 N134R57-H77 HydrophobicContact CG-CB 3.85Å; R57-H77 PolarHBondContact NE-CD2 3.12Å; R57-H77 PolarHBondContact NE-CE1 2.86Å; R57-H77 PolarHBondContact NE-ND1 2.89Å; R57-H77 VanDerWaalsContact NE-ND1 3.14Å; R57-H77 PolarHBondContact NH2-CD2 2.78Å; R57-H77 PolarHBondContact NH2-CE1 2.9Å; R57-H77 PolarHBondContact NH2-NE2 2.88Å; R57-H78 CarbonylContact C-O 3.47Å; R57-H78 VanDerWaalsContact CA-O 3.28Å; R57-H78 WeakPolarHBondContact CA-O 3.41Å; R57-V79 HydrophobicContact CB-CG2 4.48Å; R57-V79 HydrophobicContact CG-CG2 4.09Å; R57-N134 HydrophobicContact CB-CB 4.35Å; R57-N134 PolarHBondContact N-O 3.3Å; R57-N134 WeakPolarHBondContact O-CB 3.28Å; R57-N134 PolarHBondContact O-N 3.17Å
58Q84Confident68.9Low32 Ų3275.9 Ų75.915%0.1540%0.402CS..EExtended strand (participates in β ladder)trans-104.3134.7174.6-170-179.4-3.800109.1H77 H78 N131 V133Q58-H77 CarbonylContact O-C 3.5Å; Q58-H77 WeakPolarHBondContact O-CA 3.16Å; Q58-H77 WeakPolarHBondContact O-CB 3.33Å; Q58-H78 HydrophobicContact CB-CB 4.21Å; Q58-H78 PolarHBondContact N-O 2.97Å; Q58-H78 PolarHBondContact O-N 3.23Å; Q58-N131 VanDerWaalsContact NE2-CB 3.32Å; Q58-N131 PolarHBondContact NE2-ND2 3.45Å; Q58-V133 HydrophobicContact CB-CG2 4.04Å; Q58-V133 HydrophobicContact CG-CG2 4.01Å
59Q72.4Confident66Low111 Ų11180.2 Ų80.252%0.51941%0.409SS..EExtended strand (participates in β ladder)trans-70.5132.8170.7-81-179.7-34.800109.7T61Q59-T61 PolarHBondContact O-N 2.96Å
60K67.8Low63.2Low33 Ų3389.5 Ų89.514%0.14345%0.45CS..EExtended strand (participates in β ladder)trans-78.9103.8169.2-63.8179.7-168.4167.90108.5E11 V75 G76 H78E11-K60 WeakPolarHBondContact OE2-CE 3.45Å; E11-K60 IonicContact OE2-NZ 3.91Å; E11-K60 PolarHBondContact OE2-NZ 3.17Å; K60-V75 HydrophobicContact CB-CB 4.4Å; K60-V75 PolarHBondContact O-N 2.95Å; K60-G76 WeakPolarHBondContact CB-O 3.29Å; K60-G76 PolarHBondContact N-O 3.25Å; K60-H78 WeakPolarHBondContact CE-CD2 3.43Å; K60-H78 WeakPolarHBondContact CE-NE2 3.38Å
61T52.3Low61Low99 Ų9986.8 Ų86.861%0.60744%0.44SS*.EExtended strand (participates in β ladder)trans-92.9104.8162.348.80000107.4Q59Q59-T61 PolarHBondContact O-N 2.96Å
62R43.2Very low58.8Low152 Ų15288.6 Ų88.657%0.57446%0.462SS*.  trans-81.5130.4159.7-76.9-162.5179.1150.22.5107.3C64 V75R62-C64 PolarHBondContact O-N 3.35Å; R62-V75 HydrophobicContact CB-CG2 4.19Å; R62-V75 HydrophobicContact CG-CG2 4.08Å
63P42.4Very low56.3Low115 Ų11593 Ų9375%0.74748%0.483SS*.  trans-60.2126159.325.6-29.1000107Q65P63-Q65 VanDerWaalsContact C-N 3.27Å; P63-Q65 PolarHBondContact O-N 3.41Å
64C39.9Very low54.1Low79 Ų7996.5 Ų96.553%0.53451%0.507SS..  trans-6395.9167.8-74.10000107.4R62 G66R62-C64 PolarHBondContact O-N 3.35Å; C64-G66 PolarHBondContact O-N 3.21Å
65Q36.9Very low52.3Low199 Ų19999.7 Ų99.793%0.9353%0.526SS*.  trans-7996173.7-165164.150.900107P63P63-Q65 VanDerWaalsContact C-N 3.27Å; P63-Q65 PolarHBondContact O-N 3.41Å
66G34.6Very low50.8Low53 Ų53100.3 Ų100.355%0.54654%0.535SS..SBendtrans132.9102.9178.600000112.9C64C64-G66 PolarHBondContact O-N 3.21Å
67I36.8Very low49.7Very low168 Ų168101.8 Ų101.886%0.86254%0.542SS*.SBendtrans2117.2150.7-56169.1000113.9
68L30.1Very low49.5Very low153 Ų153100.3 Ų100.380%0.80154%0.538SS*.  trans7983.8-174.5-80.778.8000116.1
69Y33.5Very low49.8Very low174 Ų17498.9 Ų98.968%0.68253%0.531SS*.  -178.5125.5107.1-138-112.3000107.9
70F32.3Very low50.8Low197 Ų19794.1 Ų94.186%0.86451%0.509SS*.SBendtrans-54.5142.4161-73.2-101.4000108.2
71I40.5Very low52Low115 Ų11592.8 Ų92.859%0.5950%0.503SS*.SBendtrans101.396.3-176.8-50.3155.4000112.4H73I71-H73 PolarHBondContact O-N 2.92Å
72G38.4Very low54Low63 Ų6388 Ų8865%0.64947%0.474SS*.  trans-61.3102165.500000110.3S74G72-S74 PolarHBondContact O-N 3.02Å
73H37Very low56.4Low124 Ų12480.9 Ų80.957%0.57445%0.448SS*.  trans-68.7122.4174.1-71.6139.5000109.9I71 V75I71-H73 PolarHBondContact O-N 2.92Å; H73-V75 PolarHBondContact O-N 3.25Å; H73-V75 VanDerWaalsContact O-N 3.17Å
74S48.9Very low58.7Low72 Ų7275.8 Ų75.850%0.50341%0.414SS..EExtended strand (participates in β ladder)trans-66.7110.3170.5-67.70000109.2G72 G76G72-S74 PolarHBondContact O-N 3.02Å; S74-G76 PolarHBondContact O-N 2.04Å
75V54.3Low60.9Low68 Ų6875.7 Ų75.741%0.41241%0.414SS..EExtended strand (participates in β ladder)trans-80.722.5-177.7-166.60000111.7K60 R62 H73K60-V75 HydrophobicContact CB-CB 4.4Å; K60-V75 PolarHBondContact O-N 2.95Å; R62-V75 HydrophobicContact CB-CG2 4.19Å; R62-V75 HydrophobicContact CG-CG2 4.08Å; H73-V75 PolarHBondContact O-N 3.25Å; H73-V75 VanDerWaalsContact O-N 3.17Å
76G60.2Low63.4Low26 Ų2667.9 Ų67.927%0.26838%0.382SS..EExtended strand (participates in β ladder)trans102.3-154.8-174.400000113.2K60 S74K60-G76 WeakPolarHBondContact CB-O 3.29Å; K60-G76 PolarHBondContact N-O 3.25Å; S74-G76 PolarHBondContact O-N 2.04Å
77H68.4Low66.1Low35 Ų3565.6 Ų65.616%0.16236%0.357CS..EExtended strand (participates in β ladder)trans-135.1143.8-171.9-60.1-93.1000112.3R57 Q58 V79R57-H77 HydrophobicContact CG-CB 3.85Å; R57-H77 PolarHBondContact NE-CD2 3.12Å; R57-H77 PolarHBondContact NE-CE1 2.86Å; R57-H77 PolarHBondContact NE-ND1 2.89Å; R57-H77 VanDerWaalsContact NE-ND1 3.14Å; R57-H77 PolarHBondContact NH2-CD2 2.78Å; R57-H77 PolarHBondContact NH2-CE1 2.9Å; R57-H77 PolarHBondContact NH2-NE2 2.88Å; Q58-H77 CarbonylContact O-C 3.5Å; Q58-H77 WeakPolarHBondContact O-CA 3.16Å; Q58-H77 WeakPolarHBondContact O-CB 3.33Å; H77-V79 HydrophobicContact CB-CG2 4.11Å
78H86.1Confident68.6Low38 Ų3857.9 Ų57.918%0.17632%0.317CS..EExtended strand (participates in β ladder)trans-82.1127.9158.7-63.8164.7000108.1N9 L12 R57 Q58 K60N9-H78 WeakPolarHBondContact OD1-CA 3.19Å; L12-H78 HydrophobicContact CD1-CB 4.18Å; L12-H78 HydrophobicContact CD2-CB 3.96Å; L12-H78 HydrophobicContact CG-CB 4.28Å; R57-H78 CarbonylContact C-O 3.47Å; R57-H78 VanDerWaalsContact CA-O 3.28Å; R57-H78 WeakPolarHBondContact CA-O 3.41Å; Q58-H78 HydrophobicContact CB-CB 4.21Å; Q58-H78 PolarHBondContact N-O 2.97Å; Q58-H78 PolarHBondContact O-N 3.23Å; K60-H78 WeakPolarHBondContact CE-CD2 3.43Å; K60-H78 WeakPolarHBondContact CE-NE2 3.38Å
79V90.3Very high71.4Confident2 Ų256.9 Ų56.91%0.01230%0.303CS..EExtended strand (participates in β ladder)trans-127.5128.9-178.6-1800000108.9A8 N9 I34 T55 L56 R57 H77 R81A8-V79 VanDerWaalsContact CA-O 3.26Å; A8-V79 WeakPolarHBondContact CA-O 3.3Å; N9-V79 PolarHBondContact N-O 3.17Å; N9-V79 VanDerWaalsContact N-O 3.12Å; N9-V79 PolarHBondContact OD1-N 3.05Å; N9-V79 PolarHBondContact OD1-O 3.33Å; I34-V79 HydrophobicContact CG1-CB 4.37Å; I34-V79 HydrophobicContact CG1-CG2 4.16Å; I34-V79 HydrophobicContact CG2-CG2 4.45Å; T55-V79 HydrophobicContact CG2-CG1 4.17Å; L56-V79 CarbonylContact O-C 3.49Å; L56-V79 VanDerWaalsContact O-CA 3.26Å; L56-V79 WeakPolarHBondContact O-CA 3.44Å; R57-V79 HydrophobicContact CB-CG2 4.48Å; R57-V79 HydrophobicContact CG-CG2 4.09Å; H77-V79 HydrophobicContact CB-CG2 4.11Å; V79-R81 HydrophobicContact CG1-CG 4.09Å
80I92.8Very high73.8Confident12 Ų1250.9 Ų50.96%0.06228%0.279CS..EExtended strand (participates in β ladder)trans-128.8132.2172.3-49.4173.4000108.3C7 A8 L12 W16 Y23 T55 L56 L87C7-I80 CarbonylContact O-C 3.52Å; C7-I80 WeakPolarHBondContact O-CA 3.46Å; A8-I80 HydrophobicContact CB-CG1 4.27Å; A8-I80 HydrophobicContact CB-CG2 4.48Å; L12-I80 HydrophobicContact CD1-CD1 3.85Å; L12-I80 HydrophobicContact CD1-CG1 3.43Å; L12-I80 VanDerWaalsContact CD1-CG1 3.43Å; W16-I80 HydrophobicContact CZ3-CD1 4.25Å; Y23-I80 HydrophobicContact CD2-CD1 4.44Å; Y23-I80 HydrophobicContact CE2-CD1 4.45Å; T55-I80 CarbonylContact C-O 3.54Å; T55-I80 WeakPolarHBondContact CA-O 3.47Å; L56-I80 HydrophobicContact CB-CB 4.37Å; L56-I80 PolarHBondContact N-O 3.07Å; L56-I80 PolarHBondContact O-N 3.17Å; I80-L87 HydrophobicContact CG2-CD1 3.55Å; I80-L87 HydrophobicContact CG2-CD2 4.32Å
81R93.9Very high76.2Confident4 Ų445.2 Ų45.22%0.01526%0.257CS..EExtended strand (participates in β ladder)trans-126.7146.7179.6-59.9-175.6-169.2-100.14.4109.4Y5 S6 C7 C33 V54 T55 V79 N144 S147Y5-R81 CarbonylContact O-C 3.47Å; Y5-R81 WeakPolarHBondContact O-CB 3.4Å; S6-R81 WeakPolarHBondContact CA-O 3.36Å; C7-R81 PolarHBondContact N-O 2.76Å; C7-R81 PolarHBondContact O-N 3.17Å; C33-R81 PolarHBondContact O-NE 2.79Å; C33-R81 PolarHBondContact O-NH2 3.19Å; C33-R81 VanDerWaalsContact O-NH2 3.09Å; V54-R81 WeakPolarHBondContact O-CA 3.41Å; T55-R81 HydrophobicContact CG2-CG 4.04Å; T55-R81 PolarHBondContact OG1-NH1 2.79Å; T55-R81 VanDerWaalsContact OG1-NH1 3.12Å; V79-R81 HydrophobicContact CG1-CG 4.09Å; R81-N144 WeakPolarHBondContact CD-O 3.14Å; R81-N144 PolarHBondContact NH1-O 2.04Å; R81-S147 PolarHBondContact NH2-OG 2.91Å; R81-S147 VanDerWaalsContact NH2-OG 3.15Å
82G93.8Very high78Confident0 Ų040 Ų400%023%0.231CC..EExtended strand (participates in β ladder)trans177.2-160175.400000112.9Y5 E47 V54Y5-G82 WeakPolarHBondContact O-CA 3.5Å; Y5-G82 PolarHBondContact O-N 2.87Å; E47-G82 WeakPolarHBondContact OE1-CA 3.49Å; V54-G82 WeakPolarHBondContact CG1-O 3.44Å; V54-G82 PolarHBondContact N-O 3.04Å; V54-G82 PolarHBondContact O-N 2.8Å
83C93.6Very high79.8Confident2 Ų240.5 Ų40.51%0.01422%0.217CC..EExtended strand (participates in β ladder)trans-81.9143.8166.6-42.50000111.1E47 C49 S85 S86 L87E47-C83 WeakPolarHBondContact CG-SG 3.02Å; E47-C83 PolarHBondContact OE1-N 3.11Å; C49-C83 WeakPolarHBondContact CA-SG 3.36Å; C49-C83 HydrophobicContact CB-CB 3.66Å; C49-C83 WeakPolarHBondContact CB-SG 3.41Å; C49-C83 VanDerWaalsContact SG-CA 3.5Å; C49-C83 WeakPolarHBondContact SG-CB 3.37Å; C49-C83 CovalentContact SG-SG 2Å; C49-C83 PolarHBondContact SG-SG 3.17Å; C83-S85 VanDerWaalsContact C-N 3.26Å; C83-S85 PolarHBondContact O-N 3.47Å; C83-S86 WeakPolarHBondContact CB-OG 3Å; C83-S86 PolarHBondContact O-N 2Å; C83-S86 PolarHBondContact SG-OG 2.75Å; C83-L87 WeakPolarHBondContact O-CB 3.05Å; C83-L87 PolarHBondContact O-N 2.95Å
84L90Very high81.5Confident7 Ų741.5 Ų41.54%0.03722%0.222CC..Hα-helixtrans-57.3-40172.6-173.364.5000112.4S51 Q52 V54 F88 I92 L102 M135 V137S51-L84 PolarHBondContact OG-N 3.06Å; Q52-L84 HydrophobicContact CB-CB 4.49Å; Q52-L84 PolarHBondContact O-N 3.32Å; V54-L84 HydrophobicContact CB-CD1 4.34Å; V54-L84 HydrophobicContact CG2-CD1 4.37Å; L84-F88 HydrophobicContact CD1-CE2 4.11Å; L84-I92 HydrophobicContact CD1-CD1 4.44Å; L84-I92 HydrophobicContact CD1-CG2 3.83Å; L84-I92 HydrophobicContact CG-CG2 4.02Å; L84-L102 HydrophobicContact CD2-CD1 4.46Å; L84-M135 HydrophobicContact CD1-CE 3.3Å; L84-V137 HydrophobicContact CD1-CG2 4.4Å
85S86.9Confident82.4Confident77 Ų7741.7 Ų41.754%0.53821%0.214SC..Hα-helixtrans-76-24-17961.90000114.6S51 C83S51-S85 PolarHBondContact OG-N 3.28Å; S51-S85 PolarHBondContact OG-OG 2.87Å; C83-S85 VanDerWaalsContact C-N 3.26Å; C83-S85 PolarHBondContact O-N 3.47Å
86S89.4Confident82.7Confident35 Ų3544.4 Ų44.425%0.24523%0.231CC..Hα-helixtrans-104.6-25.2-176.668.40000112.8N24 E47 C83N24-S86 VanDerWaalsContact CB-O 3.24Å; N24-S86 WeakPolarHBondContact CB-O 3.04Å; N24-S86 PolarHBondContact ND2-O 2.83Å; E47-S86 PolarHBondContact OE2-OG 3.1Å; C83-S86 WeakPolarHBondContact CB-OG 3Å; C83-S86 PolarHBondContact O-N 2Å; C83-S86 PolarHBondContact SG-OG 2.75Å
87L91.6Very high83Confident5 Ų549.2 Ų49.23%0.02625%0.246CC..Hα-helixtrans-68.3-40.2-172.3177.960.2000112.7Y23 N24 V54 L56 I80 C83Y23-L87 CarbonylContact C-O 3.57Å; Y23-L87 VanDerWaalsContact CA-O 3.26Å; Y23-L87 WeakPolarHBondContact CA-O 3.47Å; Y23-L87 HydrophobicContact CD1-CD1 4.37Å; Y23-L87 HydrophobicContact CD1-CG 4.21Å; N24-L87 PolarHBondContact N-O 3.19Å; V54-L87 HydrophobicContact CG1-CB 4.18Å; V54-L87 HydrophobicContact CG1-CD2 3.49Å; V54-L87 VanDerWaalsContact CG1-CD2 3.49Å; V54-L87 HydrophobicContact CG1-CG 4.48Å; L56-L87 HydrophobicContact CD1-CD2 3.72Å; L56-L87 HydrophobicContact CG-CD2 4.04Å; I80-L87 HydrophobicContact CG2-CD1 3.55Å; I80-L87 HydrophobicContact CG2-CD2 4.32Å; C83-L87 WeakPolarHBondContact O-CB 3.05Å; C83-L87 PolarHBondContact O-N 2.95Å
88F89.6Confident83.3Confident6 Ų648 Ų483%0.02624%0.241CC..BIsolated β-bridgetrans-91.6140.5179.5-60.5-87.5000110.1Y23 L56 L84 W90 I92 L118 M135Y23-F88 HydrophobicContact CD1-CD1 4Å; Y23-F88 HydrophobicContact CD1-CE1 4.17Å; Y23-F88 AromaticContact CE1-CD1 3.73Å; Y23-F88 HydrophobicContact CE1-CD1 3.73Å; Y23-F88 AromaticContact CE1-CE1 3.47Å; Y23-F88 HydrophobicContact CE1-CE1 3.47Å; Y23-F88 VanDerWaalsContact CE1-CE1 3.47Å; Y23-F88 HydrophobicContact CE1-CZ 4.27Å; L56-F88 HydrophobicContact CD1-CE1 4.17Å; L56-F88 HydrophobicContact CD1-CZ 3.83Å; L56-F88 HydrophobicContact CD2-CZ 4.17Å; L84-F88 HydrophobicContact CD1-CE2 4.11Å; F88-W90 WeakPolarHBondContact CB-O 3.31Å; F88-W90 AromaticContact CD1-CZ2 3.97Å; F88-W90 HydrophobicContact CD1-CZ2 3.97Å; F88-W90 AromaticContact CD1-NE1 3.68Å; F88-W90 HydrophobicContact CE1-CZ2 4.38Å; F88-W90 HydrophobicContact CG-CZ2 4.49Å; F88-W90 PolarHBondContact O-N 2.91Å; F88-I92 HydrophobicContact CD1-CD1 4.41Å; F88-I92 HydrophobicContact CD2-CB 4.19Å; F88-I92 HydrophobicContact CD2-CD1 3.88Å; F88-I92 HydrophobicContact CD2-CG2 4.28Å; F88-I92 HydrophobicContact CE1-CD1 3.95Å; F88-I92 HydrophobicContact CE2-CD1 3.39Å; F88-I92 HydrophobicContact CG-CB 4.47Å; F88-I92 HydrophobicContact CG-CD1 4.37Å; F88-I92 HydrophobicContact CZ-CD1 3.42Å; F88-I92 VanDerWaalsContact CZ-CD1 3.42Å; F88-L118 HydrophobicContact CD1-CD2 4.36Å; F88-L118 HydrophobicContact CE1-CD2 4.29Å; F88-M135 HydrophobicContact CE2-CE 4.19Å; F88-M135 HydrophobicContact CZ-CE 4.37Å
89R88.1Confident82.8Confident132 Ų13246.9 Ų46.950%0.49824%0.238SC..SBendtrans-75.1-9.8173.2-80.5-168.4176.4-175.12.9114.2Q20 W22 N24Q20-R89 WeakPolarHBondContact O-CD 3.32Å; Q20-R89 PolarHBondContact O-NE 3.34Å; Q20-R89 PolarHBondContact O-NH1 3.24Å; W22-R89 PolarHBondContact O-N 3.21Å; N24-R89 WeakPolarHBondContact OD1-CG 3.44Å; N24-R89 PolarHBondContact OD1-NE 3.31Å
90W83.8Confident82Confident49 Ų4950.8 Ų50.819%0.18627%0.265CS..SBendtrans-127161.8-177.862.5-82.2000108F88 I92 K95 L117 P119F88-W90 WeakPolarHBondContact CB-O 3.31Å; F88-W90 AromaticContact CD1-CZ2 3.97Å; F88-W90 HydrophobicContact CD1-CZ2 3.97Å; F88-W90 AromaticContact CD1-NE1 3.68Å; F88-W90 HydrophobicContact CE1-CZ2 4.38Å; F88-W90 HydrophobicContact CG-CZ2 4.49Å; F88-W90 PolarHBondContact O-N 2.91Å; W90-I92 VanDerWaalsContact CH2-CA 3.48Å; W90-I92 HydrophobicContact CH2-CB 3.85Å; W90-I92 HydrophobicContact CH2-CD1 4.37Å; W90-I92 HydrophobicContact CH2-CG1 3.73Å; W90-I92 HydrophobicContact CZ2-CB 4.2Å; W90-I92 HydrophobicContact CZ2-CD1 4.38Å; W90-I92 HydrophobicContact CZ2-CG1 4.18Å; W90-I92 HydrophobicContact CZ3-CB 4.23Å; W90-I92 HydrophobicContact CZ3-CG1 4.47Å; W90-I92 PolarHBondContact O-N 2.94Å; W90-I92 VanDerWaalsContact O-N 3.15Å; W90-K95 HydrophobicContact CH2-CB 4.44Å; W90-K95 HydrophobicContact CH2-CG 3.76Å; W90-K95 HydrophobicContact CZ3-CB 4.31Å; W90-K95 HydrophobicContact CZ3-CG 3.46Å; W90-K95 VanDerWaalsContact CZ3-CG 3.46Å; W90-L117 WeakPolarHBondContact CH2-O 3.3Å; W90-L117 WeakPolarHBondContact CZ2-O 3.04Å; W90-P119 HydrophobicContact CD2-CG 4.35Å; W90-P119 HydrophobicContact CG-CG 4.14Å
91N82Confident80.9Confident77 Ų7751.2 Ų51.241%0.41227%0.271SS..  trans-80.6101.4-175-175.15.5000111.4M93 E94N91-M93 PolarHBondContact O-N 3.36Å; N91-M93 VanDerWaalsContact O-N 3.09Å; N91-M93 WeakPolarHBondContact OD1-CB 3.44Å; N91-M93 PolarHBondContact OD1-N 3.37Å; N91-M93 VanDerWaalsContact OD1-N 3.14Å; N91-E94 HydrophobicContact CB-CG 4.05Å; N91-E94 WeakPolarHBondContact CB-OE1 3.47Å; N91-E94 PolarHBondContact ND2-OE1 2.98Å; N91-E94 WeakPolarHBondContact O-CB 3.15Å; N91-E94 PolarHBondContact O-N 2.87Å
92I79.4Confident80.2Confident5 Ų551.1 Ų51.13%0.02627%0.271CS..G310 helixtrans-58.7-23.7178.3-167.9156.8000114.3L84 F88 W90 E94 K95 I98 L102 L117 M135L84-I92 HydrophobicContact CD1-CD1 4.44Å; L84-I92 HydrophobicContact CD1-CG2 3.83Å; L84-I92 HydrophobicContact CG-CG2 4.02Å; F88-I92 HydrophobicContact CD1-CD1 4.41Å; F88-I92 HydrophobicContact CD2-CB 4.19Å; F88-I92 HydrophobicContact CD2-CD1 3.88Å; F88-I92 HydrophobicContact CD2-CG2 4.28Å; F88-I92 HydrophobicContact CE1-CD1 3.95Å; F88-I92 HydrophobicContact CE2-CD1 3.39Å; F88-I92 HydrophobicContact CG-CB 4.47Å; F88-I92 HydrophobicContact CG-CD1 4.37Å; F88-I92 HydrophobicContact CZ-CD1 3.42Å; F88-I92 VanDerWaalsContact CZ-CD1 3.42Å; W90-I92 VanDerWaalsContact CH2-CA 3.48Å; W90-I92 HydrophobicContact CH2-CB 3.85Å; W90-I92 HydrophobicContact CH2-CD1 4.37Å; W90-I92 HydrophobicContact CH2-CG1 3.73Å; W90-I92 HydrophobicContact CZ2-CB 4.2Å; W90-I92 HydrophobicContact CZ2-CD1 4.38Å; W90-I92 HydrophobicContact CZ2-CG1 4.18Å; W90-I92 HydrophobicContact CZ3-CB 4.23Å; W90-I92 HydrophobicContact CZ3-CG1 4.47Å; W90-I92 PolarHBondContact O-N 2.94Å; W90-I92 VanDerWaalsContact O-N 3.15Å; I92-E94 PolarHBondContact O-N 2.93Å; I92-K95 PolarHBondContact O-N 3.1Å; I92-I98 HydrophobicContact CD1-CD1 3.81Å; I92-I98 HydrophobicContact CG1-CD1 3.74Å; I92-L102 HydrophobicContact CD1-CD1 4.47Å; I92-L102 HydrophobicContact CG1-CD1 4.23Å; I92-L117 HydrophobicContact CD1-CD2 3.9Å; I92-M135 HydrophobicContact CD1-CE 3.57Å; I92-M135 HydrophobicContact CD1-SD 3.95Å
93M75.2Confident79.3Confident75 Ų7554.3 Ų54.337%0.36929%0.293SS..G310 helixtrans-75.1-10.9178.8-56.3-60-69.100113.1N91 A99 L102N91-M93 PolarHBondContact O-N 3.36Å; N91-M93 VanDerWaalsContact O-N 3.09Å; N91-M93 WeakPolarHBondContact OD1-CB 3.44Å; N91-M93 PolarHBondContact OD1-N 3.37Å; N91-M93 VanDerWaalsContact OD1-N 3.14Å; M93-A99 WeakPolarHBondContact O-CB 3.41Å; M93-L102 HydrophobicContact CE-CB 4.3Å; M93-L102 HydrophobicContact SD-CB 3.99Å; M93-L102 HydrophobicContact SD-CD1 4.32Å
94E73.3Confident78.7Confident144 Ų14459.8 Ų59.867%0.67332%0.317SS*.G310 helixtrans-79.7-17.7174.5-74.2167.6-156.300112.9N91 I92 T96N91-E94 HydrophobicContact CB-CG 4.05Å; N91-E94 WeakPolarHBondContact CB-OE1 3.47Å; N91-E94 PolarHBondContact ND2-OE1 2.98Å; N91-E94 WeakPolarHBondContact O-CB 3.15Å; N91-E94 PolarHBondContact O-N 2.87Å; I92-E94 PolarHBondContact O-N 2.93Å; E94-T96 PolarHBondContact O-N 3.48Å
95K68.1Low78.2Confident76 Ų7664.8 Ų64.833%0.3335%0.35SS..  trans-83.8110.2175.9-73.4-77.4-176.1174.60110.3W90 I92 E97 I98 A99W90-K95 HydrophobicContact CH2-CB 4.44Å; W90-K95 HydrophobicContact CH2-CG 3.76Å; W90-K95 HydrophobicContact CZ3-CB 4.31Å; W90-K95 HydrophobicContact CZ3-CG 3.46Å; W90-K95 VanDerWaalsContact CZ3-CG 3.46Å; I92-K95 PolarHBondContact O-N 3.1Å; K95-E97 VanDerWaalsContact C-N 3.26Å; K95-E97 PolarHBondContact O-N 2.96Å; K95-E97 VanDerWaalsContact O-N 3.17Å; K95-I98 PolarHBondContact O-N 3.36Å; K95-A99 WeakPolarHBondContact O-CB 3.37Å; K95-A99 PolarHBondContact O-N 2.67Å; K95-A99 VanDerWaalsContact O-N 3.11Å
96T59.9Low78.1Confident125 Ų12567.2 Ų67.277%0.76735%0.347SS*.Hα-helixtrans-58.8-30-171.851.90000114.5E94 I98E94-T96 PolarHBondContact O-N 3.48Å; T96-I98 VanDerWaalsContact C-N 3.34Å; T96-I98 PolarHBondContact O-N 3.27Å
97E67.7Low78Confident127 Ų12769.8 Ų69.859%0.59336%0.358SS*.Hα-helixtrans-67.8-30.8-172.9-62.3-171.8172.800113.8K95 Q116K95-E97 VanDerWaalsContact C-N 3.26Å; K95-E97 PolarHBondContact O-N 2.96Å; K95-E97 VanDerWaalsContact O-N 3.17Å; E97-Q116 WeakPolarHBondContact OE2-CG 3.06Å; E97-Q116 PolarHBondContact OE2-NE2 3.4Å
98I73.7Confident77.9Confident10 Ų1070.6 Ų70.65%0.05136%0.363CS..Hα-helixtrans-118.6-19.2-178.460.3177.9000113.3I92 K95 T96 S100 A101 L102 V112 L117 M135I92-I98 HydrophobicContact CD1-CD1 3.81Å; I92-I98 HydrophobicContact CG1-CD1 3.74Å; K95-I98 PolarHBondContact O-N 3.36Å; T96-I98 VanDerWaalsContact C-N 3.34Å; T96-I98 PolarHBondContact O-N 3.27Å; I98-S100 PolarHBondContact O-N 3.37Å; I98-A101 WeakPolarHBondContact O-CA 3.46Å; I98-A101 WeakPolarHBondContact O-CB 3.46Å; I98-A101 PolarHBondContact O-N 2.97Å; I98-L102 HydrophobicContact CB-CD1 4.2Å; I98-L102 HydrophobicContact CB-CG 4.4Å; I98-L102 HydrophobicContact CD1-CD1 3.92Å; I98-L102 HydrophobicContact CG1-CD1 3.92Å; I98-L102 WeakPolarHBondContact O-CB 3.31Å; I98-L102 VanDerWaalsContact O-CG 3.31Å; I98-L102 WeakPolarHBondContact O-CG 3.4Å; I98-L102 PolarHBondContact O-N 3.13Å; I98-V112 HydrophobicContact CG2-CG1 3.99Å; I98-L117 HydrophobicContact CD1-CD2 3.47Å; I98-L117 VanDerWaalsContact CD1-CD2 3.47Å; I98-M135 HydrophobicContact CD1-SD 4.45Å
99A75.7Confident77.8Confident14 Ų1472.5 Ų72.512%0.11638%0.376CS..Hα-helixtrans-56.5-46.4-175.600000113.4M93 K95 A101 L102 S103M93-A99 WeakPolarHBondContact O-CB 3.41Å; K95-A99 WeakPolarHBondContact O-CB 3.37Å; K95-A99 PolarHBondContact O-N 2.67Å; K95-A99 VanDerWaalsContact O-N 3.11Å; A99-A101 PolarHBondContact O-N 3.08Å; A99-L102 PolarHBondContact O-N 2.87Å; A99-S103 WeakPolarHBondContact O-CB 3.42Å; A99-S103 PolarHBondContact O-N 3.49Å
100S72.8Confident77.7Confident84 Ų8468.2 Ų68.259%0.58736%0.361SS*.Hα-helixtrans-63.6-27.1177.9-176.10000112.8I98 S103I98-S100 PolarHBondContact O-N 3.37Å; S100-S103 PolarHBondContact O-OG 3.43Å
101A71.3Confident77.8Confident22 Ų2272 Ų7218%0.18239%0.385CS..Hα-helixtrans-84.7-37.2-17800000110.9I98 A99 Y110I98-A101 WeakPolarHBondContact O-CA 3.46Å; I98-A101 WeakPolarHBondContact O-CB 3.46Å; I98-A101 PolarHBondContact O-N 2.97Å; A99-A101 PolarHBondContact O-N 3.08Å; A101-Y110 HydrophobicContact CB-CE1 3.82Å; A101-Y110 HydrophobicContact CB-CE2 4.36Å; A101-Y110 VanDerWaalsContact CB-CZ 3.47Å; A101-Y110 WeakPolarHBondContact CB-OH 3.17Å; A101-Y110 PolarHBondContact O-OH 3.14Å
102L78.8Confident77.9Confident1 Ų168.9 Ų68.91%0.00537%0.368CS..Hα-helixtrans-74.2-23.4175.1-69177.3000113.9Q52 L84 I92 M93 I98 A99 K104 Y110 M135 V137 Y139Q52-L102 PolarHBondContact NE2-O 3.08Å; L84-L102 HydrophobicContact CD2-CD1 4.46Å; I92-L102 HydrophobicContact CD1-CD1 4.47Å; I92-L102 HydrophobicContact CG1-CD1 4.23Å; M93-L102 HydrophobicContact CE-CB 4.3Å; M93-L102 HydrophobicContact SD-CB 3.99Å; M93-L102 HydrophobicContact SD-CD1 4.32Å; I98-L102 HydrophobicContact CB-CD1 4.2Å; I98-L102 HydrophobicContact CB-CG 4.4Å; I98-L102 HydrophobicContact CD1-CD1 3.92Å; I98-L102 HydrophobicContact CG1-CD1 3.92Å; I98-L102 WeakPolarHBondContact O-CB 3.31Å; I98-L102 VanDerWaalsContact O-CG 3.31Å; I98-L102 WeakPolarHBondContact O-CG 3.4Å; I98-L102 PolarHBondContact O-N 3.13Å; A99-L102 PolarHBondContact O-N 2.87Å; L102-K104 VanDerWaalsContact C-N 3.27Å; L102-K104 PolarHBondContact O-N 2.92Å; L102-Y110 HydrophobicContact CD2-CE2 4.06Å; L102-M135 HydrophobicContact CD1-CE 4.04Å; L102-M135 HydrophobicContact CD2-CE 4.09Å; L102-V137 HydrophobicContact CD2-CB 4.2Å; L102-V137 HydrophobicContact CD2-CG2 3.58Å; L102-Y139 PolarHBondContact O-OH 2.96Å
103S75.5Confident78.1Confident68 Ų6874.3 Ų74.348%0.47639%0.388SS..THydrogen-bonded Turntrans-71.6-21.5178.865.70000113.2A99 S100A99-S103 WeakPolarHBondContact O-CB 3.42Å; A99-S103 PolarHBondContact O-N 3.49Å; S100-S103 PolarHBondContact O-OG 3.43Å
104K80Confident78.3Confident117 Ų11770.9 Ų70.951%0.50937%0.371SS..SBendtrans-80.5130.4-178.7-65.8-176.5-178.3-1780110.8L102 R106 Y139L102-K104 VanDerWaalsContact C-N 3.27Å; L102-K104 PolarHBondContact O-N 2.92Å; K104-R106 HydrophobicContact CB-CG 4.27Å; K104-R106 PolarHBondContact O-N 3.09Å; K104-Y139 PolarHBondContact O-OH 3.22Å
105P80.1Confident78.5Confident112 Ų11265.8 Ų65.873%0.72735%0.352SS*.SBendtrans-70.669.2-179.131.5-36.1000113.5Y139P105-Y139 WeakPolarHBondContact CA-OH 3.05Å; P105-Y139 HydrophobicContact CB-CD1 4.43Å; P105-Y139 HydrophobicContact CB-CE1 3.99Å
106R83.6Confident78.9Confident128 Ų12864.4 Ų64.448%0.48335%0.347SS..SBendtrans-144.2149.2-179.866178.2-174.2154.53.6111.9K104 V108 Y139K104-R106 HydrophobicContact CB-CG 4.27Å; K104-R106 PolarHBondContact O-N 3.09Å; R106-V108 HydrophobicContact CG-CB 4.47Å; R106-V108 PolarHBondContact O-N 3.15Å; R106-Y139 VanDerWaalsContact O-CE2 3.3Å; R106-Y139 WeakPolarHBondContact O-CE2 3.26Å
107D88.4Confident79.9Confident88 Ų8858.4 Ų58.447%0.47131%0.31SS..  trans-72.7125.2171.2-61.5-9.1000109.6V137 C138 Y139 I149D107-V137 CarbonylContact C-O 3.36Å; D107-V137 VanDerWaalsContact CA-O 3.31Å; D107-V137 WeakPolarHBondContact CA-O 3.42Å; D107-C138 HydrophobicContact CB-CB 4.28Å; D107-C138 WeakPolarHBondContact OD1-CA 3.2Å; D107-C138 WeakPolarHBondContact OD1-CB 3.44Å; D107-Y139 PolarHBondContact OD1-N 3.2Å; D107-I149 HydrophobicContact CB-CD1 3.66Å
108V88Confident80.4Confident22 Ų2252.5 Ų52.513%0.13328%0.283CS..EExtended strand (participates in β ladder)trans-152.3145-172.862.60000111.5R106 Y110 C136 V137R106-V108 HydrophobicContact CG-CB 4.47Å; R106-V108 PolarHBondContact O-N 3.15Å; V108-Y110 HydrophobicContact CB-CE2 4.1Å; V108-Y110 HydrophobicContact CG1-CD2 4.33Å; V108-Y110 HydrophobicContact CG1-CE2 3.36Å; V108-Y110 WeakPolarHBondContact CG1-OH 3.42Å; V108-Y110 HydrophobicContact CG2-CD2 4.37Å; V108-Y110 HydrophobicContact CG2-CE1 3.91Å; V108-Y110 HydrophobicContact CG2-CE2 3.66Å; V108-Y110 VanDerWaalsContact CG2-OH 3.3Å; V108-Y110 WeakPolarHBondContact CG2-OH 3.39Å; V108-C136 CarbonylContact O-C 3.59Å; V108-C136 WeakPolarHBondContact O-CA 3.48Å; V108-V137 PolarHBondContact N-O 3.24Å; V108-V137 PolarHBondContact O-N 2.61Å
109C88.6Confident80.4Confident46 Ų4653.1 Ų53.131%0.31129%0.287SS..EExtended strand (participates in β ladder)trans-120.9135.3174.4-61.90000110.5M135 C136C109-M135 CarbonylContact C-O 3.54Å; C109-M135 VanDerWaalsContact CA-O 3.31Å; C109-M135 WeakPolarHBondContact CA-O 3.49Å; C109-C136 HydrophobicContact CB-CB 4.11Å; C109-C136 WeakPolarHBondContact CB-SG 2.93Å; C109-C136 WeakPolarHBondContact SG-CB 3.3Å; C109-C136 CovalentContact SG-SG 2.04Å; C109-C136 PolarHBondContact SG-SG 3Å
110Y85.6Confident80Confident42 Ų4257.6 Ų57.617%0.16531%0.313CS..EExtended strand (participates in β ladder)trans-119.5138.6178-59.2-79.4000110.3A101 L102 V108 N134 M135A101-Y110 HydrophobicContact CB-CE1 3.82Å; A101-Y110 HydrophobicContact CB-CE2 4.36Å; A101-Y110 VanDerWaalsContact CB-CZ 3.47Å; A101-Y110 WeakPolarHBondContact CB-OH 3.17Å; A101-Y110 PolarHBondContact O-OH 3.14Å; L102-Y110 HydrophobicContact CD2-CE2 4.06Å; V108-Y110 HydrophobicContact CB-CE2 4.1Å; V108-Y110 HydrophobicContact CG1-CD2 4.33Å; V108-Y110 HydrophobicContact CG1-CE2 3.36Å; V108-Y110 WeakPolarHBondContact CG1-OH 3.42Å; V108-Y110 HydrophobicContact CG2-CD2 4.37Å; V108-Y110 HydrophobicContact CG2-CE1 3.91Å; V108-Y110 HydrophobicContact CG2-CE2 3.66Å; V108-Y110 VanDerWaalsContact CG2-OH 3.3Å; V108-Y110 WeakPolarHBondContact CG2-OH 3.39Å; Y110-N134 CarbonylContact O-C 3.52Å; Y110-N134 VanDerWaalsContact O-CA 3.3Å; Y110-N134 WeakPolarHBondContact O-CA 3.31Å; Y110-M135 PolarHBondContact N-O 2.93Å; Y110-M135 PolarHBondContact O-N 3.37Å
111N86.3Confident79.3Confident129 Ų12960.1 Ų60.169%0.6932%0.315SS*.EExtended strand (participates in β ladder)trans-98.2107165.9-67.2-54.8000107.5N134N111-N134 PolarHBondContact OD1-ND2 3.29Å
112V83.6Confident78.5Confident11 Ų1161.3 Ų61.37%0.06733%0.33CS..EExtended strand (participates in β ladder)trans-122.7151.7-174.2-70.80000109.6I98 L117 V133 M135I98-V112 HydrophobicContact CG2-CG1 3.99Å; V112-L117 HydrophobicContact CB-CG 4.25Å; V112-L117 HydrophobicContact CG2-CD1 3.41Å; V112-L117 VanDerWaalsContact CG2-CD1 3.41Å; V112-L117 HydrophobicContact CG2-CD2 3.86Å; V112-L117 HydrophobicContact CG2-CG 3.48Å; V112-L117 VanDerWaalsContact CG2-CG 3.48Å; V112-V133 WeakPolarHBondContact CG2-O 3.33Å; V112-V133 PolarHBondContact N-O 2.94Å; V112-V133 PolarHBondContact O-N 3.25Å; V112-M135 HydrophobicContact CG2-CB 4.4Å
113R83Confident77.1Confident119 Ų11966.2 Ų66.245%0.44936%0.364SS..EExtended strand (participates in β ladder)trans-76.2148.3168.8-71.8-179.7-72.9-105-4109.8S115 Q116 L117R113-S115 WeakPolarHBondContact CB-OG 3.44Å; R113-S115 PolarHBondContact O-N 2.96Å; R113-Q116 HydrophobicContact CB-CG 4.17Å; R113-Q116 WeakPolarHBondContact O-CB 3.4Å; R113-Q116 PolarHBondContact O-N 3.36Å; R113-L117 PolarHBondContact O-N 3.12Å
114L80.2Confident76.1Confident3 Ų365.4 Ų65.42%0.01636%0.359CS..Hα-helixtrans-56-33.4173-81.8-177000112.1Q116 L117 L118 M128 N131 V133L114-Q116 VanDerWaalsContact C-N 3.26Å; L114-Q116 PolarHBondContact O-N 2.65Å; L114-L117 PolarHBondContact O-N 2.82Å; L114-L118 HydrophobicContact CD2-CD1 3.92Å; L114-L118 HydrophobicContact CD2-CG 4.31Å; L114-L118 WeakPolarHBondContact O-CB 2.99Å; L114-L118 PolarHBondContact O-N 3.35Å; L114-M128 HydrophobicContact CD1-CB 4.09Å; L114-M128 HydrophobicContact CD1-CE 3.85Å; L114-N131 HydrophobicContact CD1-CB 3.76Å; L114-N131 HydrophobicContact CG-CB 4.15Å; L114-N131 PolarHBondContact N-O 2.97Å; L114-V133 HydrophobicContact CD1-CG2 4.5Å; L114-V133 HydrophobicContact CD2-CB 4.43Å; L114-V133 HydrophobicContact CD2-CG2 3.37Å; L114-V133 HydrophobicContact CG-CG2 3.69Å
115S77.5Confident74.8Confident38 Ų3860.1 Ų60.127%0.26634%0.336SS..Hα-helixtrans-63.7-25.7174.2500000114.8R113 S129R113-S115 WeakPolarHBondContact CB-OG 3.44Å; R113-S115 PolarHBondContact O-N 2.96Å; S115-S129 PolarHBondContact OG-O 3.34Å
116Q77.7Confident73.6Confident46 Ų4664.8 Ų64.822%0.21534%0.339CS..Hα-helixtrans-83.9-31.5176.9-64.3175.5-66.800111.6E97 R113 L114E97-Q116 WeakPolarHBondContact OE2-CG 3.06Å; E97-Q116 PolarHBondContact OE2-NE2 3.4Å; R113-Q116 HydrophobicContact CB-CG 4.17Å; R113-Q116 WeakPolarHBondContact O-CB 3.4Å; R113-Q116 PolarHBondContact O-N 3.36Å; L114-Q116 VanDerWaalsContact C-N 3.26Å; L114-Q116 PolarHBondContact O-N 2.65Å
117L78.9Confident72.3Confident0 Ų065.6 Ų65.60%035%0.353CS..Hα-helixtrans-77.3-65.4173.3-70.2177.1000110.1W90 I92 I98 V112 R113 L114 V133 M135W90-L117 WeakPolarHBondContact CH2-O 3.3Å; W90-L117 WeakPolarHBondContact CZ2-O 3.04Å; I92-L117 HydrophobicContact CD1-CD2 3.9Å; I98-L117 HydrophobicContact CD1-CD2 3.47Å; I98-L117 VanDerWaalsContact CD1-CD2 3.47Å; V112-L117 HydrophobicContact CB-CG 4.25Å; V112-L117 HydrophobicContact CG2-CD1 3.41Å; V112-L117 VanDerWaalsContact CG2-CD1 3.41Å; V112-L117 HydrophobicContact CG2-CD2 3.86Å; V112-L117 HydrophobicContact CG2-CG 3.48Å; V112-L117 VanDerWaalsContact CG2-CG 3.48Å; R113-L117 PolarHBondContact O-N 3.12Å; L114-L117 PolarHBondContact O-N 2.82Å; L117-V133 HydrophobicContact CD1-CB 4.22Å; L117-V133 HydrophobicContact CD1-CG1 4.24Å; L117-M135 HydrophobicContact CD2-SD 3.71Å
118L79.9Confident71.1Confident3 Ų363.6 Ų63.62%0.01634%0.341CS..SBendtrans-86.3139.3-164-55.5-176.2000112W22 Y23 F88 L114 L125W22-L118 HydrophobicContact CB-CD1 4.08Å; W22-L118 HydrophobicContact CB-CD2 3.76Å; W22-L118 HydrophobicContact CB-CG 4.41Å; W22-L118 HydrophobicContact CD2-CD1 3.81Å; W22-L118 HydrophobicContact CE3-CD1 4.21Å; W22-L118 HydrophobicContact CG-CB 4.18Å; W22-L118 HydrophobicContact CG-CD1 3.75Å; W22-L118 HydrophobicContact CG-CD2 4.01Å; W22-L118 HydrophobicContact CG-CG 4.19Å; Y23-L118 HydrophobicContact CE1-CD2 4.26Å; Y23-L118 HydrophobicContact CE2-CD1 4.36Å; F88-L118 HydrophobicContact CD1-CD2 4.36Å; F88-L118 HydrophobicContact CE1-CD2 4.29Å; L114-L118 HydrophobicContact CD2-CD1 3.92Å; L114-L118 HydrophobicContact CD2-CG 4.31Å; L114-L118 WeakPolarHBondContact O-CB 2.99Å; L114-L118 PolarHBondContact O-N 3.35Å; L118-L125 HydrophobicContact CB-CD1 3.99Å; L118-L125 HydrophobicContact CB-CD2 4.19Å; L118-L125 HydrophobicContact CD1-CD1 3.98Å
119P73.4Confident69.9Low22 Ų2264.2 Ų64.214%0.14335%0.347CS..  trans-63.8144172.229.4-36.3000110.3W22 W90 H121W22-P119 PolarHBondContact NE1-O 3.12Å; W90-P119 HydrophobicContact CD2-CG 4.35Å; W90-P119 HydrophobicContact CG-CG 4.14Å; P119-H121 PolarHBondContact O-N 2.04Å
120T66.3Low69Low109 Ų10968.1 Ų68.167%0.66936%0.364SS*.  trans-71.321.7-173.846.10000114.8G122 L125T120-G122 PolarHBondContact O-N 2.82Å; T120-L125 HydrophobicContact CG2-CD2 4.2Å
121H58.3Low68.6Low137 Ų13768.2 Ų68.263%0.63437%0.368SS*.  trans-76.4112.6176.9-57.6-59.5000109.7P119P119-H121 PolarHBondContact O-N 2.04Å
122G55Low68.4Low47 Ų4769.3 Ų69.349%0.48537%0.366SS..SBendtrans110.7133.8175.200000113.5T120 S124 L125T120-G122 PolarHBondContact O-N 2.82Å; G122-S124 PolarHBondContact O-N 2.86Å; G122-S124 VanDerWaalsContact O-N 3.13Å; G122-L125 PolarHBondContact O-N 2.01Å; G122-L125 VanDerWaalsContact O-N 3.14Å
123S50.2Low68.6Low104 Ų10469 Ų6973%0.72736%0.364SS*.G310 helixtrans-53-32.8177.548.40000113L125 R126S123-L125 PolarHBondContact O-N 3.43Å; S123-L125 VanDerWaalsContact O-N 3.17Å; S123-R126 WeakPolarHBondContact O-CB 3.34Å; S123-R126 PolarHBondContact O-N 2.75Å; S123-R126 VanDerWaalsContact O-N 3.09Å
124S53.6Low68.8Low51 Ų5165.1 Ų65.136%0.35735%0.352SS..G310 helixtrans-61.5-22.9-179.2-172.60000114.3G122 R126 M128G122-S124 PolarHBondContact O-N 2.86Å; G122-S124 VanDerWaalsContact O-N 3.13Å; S124-R126 VanDerWaalsContact C-N 3.34Å; S124-M128 WeakPolarHBondContact O-CG 3.34Å
125L53.8Low69.2Low6 Ų665 Ų653%0.03135%0.352CS..G310 helixtrans-76.2-24.1177.9-161.172.8000112W22 L118 T120 G122 S123 D127 M128 S129W22-L125 HydrophobicContact CH2-CD1 4.47Å; W22-L125 HydrophobicContact CZ2-CB 4.13Å; W22-L125 HydrophobicContact CZ2-CD1 4.04Å; L118-L125 HydrophobicContact CB-CD1 3.99Å; L118-L125 HydrophobicContact CB-CD2 4.19Å; L118-L125 HydrophobicContact CD1-CD1 3.98Å; T120-L125 HydrophobicContact CG2-CD2 4.2Å; G122-L125 PolarHBondContact O-N 2.01Å; G122-L125 VanDerWaalsContact O-N 3.14Å; S123-L125 PolarHBondContact O-N 3.43Å; S123-L125 VanDerWaalsContact O-N 3.17Å; L125-D127 VanDerWaalsContact C-N 3.26Å; L125-D127 PolarHBondContact O-N 2.79Å; L125-M128 CarbonylContact O-C 3.56Å; L125-M128 PolarHBondContact O-N 2.79Å; L125-M128 VanDerWaalsContact O-N 3.07Å; L125-S129 WeakPolarHBondContact O-CA 3.31Å; L125-S129 WeakPolarHBondContact O-CB 3.06Å; L125-S129 PolarHBondContact O-N 3.33Å
126R52.9Low69.9Low209 Ų20963.8 Ų63.879%0.78934%0.343SS*.THydrogen-bonded Turntrans-63.1-37.4177.7-61.4-172.692.8-159.37.5111S123 S124 M128 S129S123-R126 WeakPolarHBondContact O-CB 3.34Å; S123-R126 PolarHBondContact O-N 2.75Å; S123-R126 VanDerWaalsContact O-N 3.09Å; S124-R126 VanDerWaalsContact C-N 3.34Å; R126-M128 VanDerWaalsContact C-N 3.26Å; R126-M128 PolarHBondContact O-N 2.98Å; R126-S129 PolarHBondContact O-OG 2.8Å
127D58.2Low70.5Confident145 Ų14561.7 Ų61.778%0.77533%0.333SS*.THydrogen-bonded Turntrans-76.4-16.8177.2-58.6-24000112.5L125L125-D127 VanDerWaalsContact C-N 3.26Å; L125-D127 PolarHBondContact O-N 2.79Å
128M62.7Low71.1Confident47 Ų4762.1 Ų62.123%0.23234%0.336CS..THydrogen-bonded Turntrans-109.2-0.7-177.8-63-174.975.800113.6L114 S124 L125 R126 D130 N131L114-M128 HydrophobicContact CD1-CB 4.09Å; L114-M128 HydrophobicContact CD1-CE 3.85Å; S124-M128 WeakPolarHBondContact O-CG 3.34Å; L125-M128 CarbonylContact O-C 3.56Å; L125-M128 PolarHBondContact O-N 2.79Å; L125-M128 VanDerWaalsContact O-N 3.07Å; R126-M128 VanDerWaalsContact C-N 3.26Å; R126-M128 PolarHBondContact O-N 2.98Å; M128-D130 PolarHBondContact O-N 2.78Å; M128-N131 VanDerWaalsContact O-CB 3.31Å; M128-N131 WeakPolarHBondContact O-CB 3.48Å; M128-N131 PolarHBondContact O-N 3.01Å; M128-N131 VanDerWaalsContact O-N 3.12Å
129S62.1Low71.6Confident35 Ų3565.7 Ų65.725%0.24535%0.35CS..THydrogen-bonded Turntrans-62.9-31.4-167.360.70000113.4S115 L125 R126S115-S129 PolarHBondContact OG-O 3.34Å; L125-S129 WeakPolarHBondContact O-CA 3.31Å; L125-S129 WeakPolarHBondContact O-CB 3.06Å; L125-S129 PolarHBondContact O-N 3.33Å; R126-S129 PolarHBondContact O-OG 2.8Å
130D70.2Confident72.2Confident127 Ų12766.4 Ų66.468%0.67936%0.362SS*.THydrogen-bonded Turntrans-89.8-7.8-176-72.2-2.7000113.1M128 K132M128-D130 PolarHBondContact O-N 2.78Å; D130-K132 PolarHBondContact O-N 2.77Å
131N77Confident73.4Confident45 Ų4566.3 Ų66.324%0.24136%0.357CS..  trans-64.9125.3177.3-73.7-32.7000110.6Q58 L114 M128Q58-N131 VanDerWaalsContact NE2-CB 3.32Å; Q58-N131 PolarHBondContact NE2-ND2 3.45Å; L114-N131 HydrophobicContact CD1-CB 3.76Å; L114-N131 HydrophobicContact CG-CB 4.15Å; L114-N131 PolarHBondContact N-O 2.97Å; M128-N131 VanDerWaalsContact O-CB 3.31Å; M128-N131 WeakPolarHBondContact O-CB 3.48Å; M128-N131 PolarHBondContact O-N 3.01Å; M128-N131 VanDerWaalsContact O-N 3.12Å
132K82.7Confident74.9Confident152 Ų15265.1 Ų65.166%0.66135%0.347SS*.EExtended strand (participates in β ladder)trans-85.3130.3177.3-63.8-178.8-178176.40110.5D130D130-K132 PolarHBondContact O-N 2.77Å
133V86.2Confident76.7Confident3 Ų364.4 Ų64.42%0.01833%0.334CS..EExtended strand (participates in β ladder)trans-118.5130.6173.81790000109.2L56 Q58 V112 L114 L117L56-V133 HydrophobicContact CB-CG1 4.13Å; L56-V133 HydrophobicContact CD2-CG1 4.17Å; Q58-V133 HydrophobicContact CB-CG2 4.04Å; Q58-V133 HydrophobicContact CG-CG2 4.01Å; V112-V133 WeakPolarHBondContact CG2-O 3.33Å; V112-V133 PolarHBondContact N-O 2.94Å; V112-V133 PolarHBondContact O-N 3.25Å; L114-V133 HydrophobicContact CD1-CG2 4.5Å; L114-V133 HydrophobicContact CD2-CB 4.43Å; L114-V133 HydrophobicContact CD2-CG2 3.37Å; L114-V133 HydrophobicContact CG-CG2 3.69Å; L117-V133 HydrophobicContact CD1-CB 4.22Å; L117-V133 HydrophobicContact CD1-CG1 4.24Å
134N88.7Confident78.7Confident38 Ų3859.5 Ų59.520%0.20330%0.3CS..EExtended strand (participates in β ladder)trans-87.9110.6168.9-176-107.2000108.7L56 R57 Y110 N111 C136L56-N134 CarbonylContact C-O 3.53Å; R57-N134 HydrophobicContact CB-CB 4.35Å; R57-N134 PolarHBondContact N-O 3.3Å; R57-N134 WeakPolarHBondContact O-CB 3.28Å; R57-N134 PolarHBondContact O-N 3.17Å; Y110-N134 CarbonylContact O-C 3.52Å; Y110-N134 VanDerWaalsContact O-CA 3.3Å; Y110-N134 WeakPolarHBondContact O-CA 3.31Å; N111-N134 PolarHBondContact OD1-ND2 3.29Å; N134-C136 PolarHBondContact OD1-SG 3.12Å; N134-C136 VanDerWaalsContact OD1-SG 3.35Å
135M88.9Confident80.3Confident1 Ų158.1 Ų58.11%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-105.1110.7178.4176.2176.4178.500109.4V54 T55 L56 L84 F88 I92 I98 L102 C109 Y110 V112 L117 V137V54-M135 HydrophobicContact CG2-CE 3.84Å; V54-M135 HydrophobicContact CG2-CG 3.99Å; T55-M135 CarbonylContact O-C 3.54Å; T55-M135 WeakPolarHBondContact O-CA 3.26Å; L56-M135 HydrophobicContact CD2-CB 3.64Å; L56-M135 HydrophobicContact CD2-CG 3.54Å; L56-M135 HydrophobicContact CD2-SD 4.06Å; L84-M135 HydrophobicContact CD1-CE 3.3Å; F88-M135 HydrophobicContact CE2-CE 4.19Å; F88-M135 HydrophobicContact CZ-CE 4.37Å; I92-M135 HydrophobicContact CD1-CE 3.57Å; I92-M135 HydrophobicContact CD1-SD 3.95Å; I98-M135 HydrophobicContact CD1-SD 4.45Å; L102-M135 HydrophobicContact CD1-CE 4.04Å; L102-M135 HydrophobicContact CD2-CE 4.09Å; C109-M135 CarbonylContact C-O 3.54Å; C109-M135 VanDerWaalsContact CA-O 3.31Å; C109-M135 WeakPolarHBondContact CA-O 3.49Å; Y110-M135 PolarHBondContact N-O 2.93Å; Y110-M135 PolarHBondContact O-N 3.37Å; V112-M135 HydrophobicContact CG2-CB 4.4Å; L117-M135 HydrophobicContact CD2-SD 3.71Å; M135-V137 HydrophobicContact CE-CG2 3.84Å; M135-V137 HydrophobicContact CG-CG2 4.42Å
136C90.8Very high81.3Confident13 Ų1360.3 Ų60.39%0.08831%0.311CS..EExtended strand (participates in β ladder)trans-103.9132.7173.7-66.10000110.6V54 T55 V108 C109 N134V54-C136 CarbonylContact C-O 3.56Å; V54-C136 VanDerWaalsContact CA-O 3.31Å; V54-C136 WeakPolarHBondContact CA-O 3.47Å; T55-C136 PolarHBondContact N-O 3.26Å; T55-C136 PolarHBondContact O-N 3.03Å; V108-C136 CarbonylContact O-C 3.59Å; V108-C136 WeakPolarHBondContact O-CA 3.48Å; C109-C136 HydrophobicContact CB-CB 4.11Å; C109-C136 WeakPolarHBondContact CB-SG 2.93Å; C109-C136 WeakPolarHBondContact SG-CB 3.3Å; C109-C136 CovalentContact SG-SG 2.04Å; C109-C136 PolarHBondContact SG-SG 3Å; N134-C136 PolarHBondContact OD1-SG 3.12Å; N134-C136 VanDerWaalsContact OD1-SG 3.35Å
137V90.9Very high81.5Confident1 Ų152.4 Ų52.41%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-120.4139.7175.3178.20000108.6Q52 C53 V54 L84 L102 D107 V108 M135Q52-V137 HydrophobicContact CB-CG1 3.33Å; Q52-V137 HydrophobicContact CG-CG1 3.69Å; C53-V137 WeakPolarHBondContact O-CA 2.99Å; V54-V137 HydrophobicContact CB-CG2 4.28Å; V54-V137 HydrophobicContact CG2-CG2 4Å; L84-V137 HydrophobicContact CD1-CG2 4.4Å; L102-V137 HydrophobicContact CD2-CB 4.2Å; L102-V137 HydrophobicContact CD2-CG2 3.58Å; D107-V137 CarbonylContact C-O 3.36Å; D107-V137 VanDerWaalsContact CA-O 3.31Å; D107-V137 WeakPolarHBondContact CA-O 3.42Å; V108-V137 PolarHBondContact N-O 3.24Å; V108-V137 PolarHBondContact O-N 2.61Å; M135-V137 HydrophobicContact CE-CG2 3.84Å; M135-V137 HydrophobicContact CG-CG2 4.42Å
138C92Very high81Confident9 Ų948.5 Ų48.56%0.06127%0.271CS..EExtended strand (participates in β ladder)trans-143.9158.6178.163.80000112.1Q52 C53 D107 C143 N144Q52-C138 WeakPolarHBondContact CB-O 3.04Å; C53-C138 PolarHBondContact N-O 3.16Å; C53-C138 PolarHBondContact O-N 3.39Å; D107-C138 HydrophobicContact CB-CB 4.28Å; D107-C138 WeakPolarHBondContact OD1-CA 3.2Å; D107-C138 WeakPolarHBondContact OD1-CB 3.44Å; C138-C143 HydrophobicContact CB-CB 3.79Å; C138-C143 WeakPolarHBondContact CB-SG 3.31Å; C138-C143 PolarHBondContact O-SG 3.36Å; C138-C143 VanDerWaalsContact O-SG 3.33Å; C138-C143 WeakPolarHBondContact SG-CB 3.33Å; C138-C143 CovalentContact SG-SG 2.04Å; C138-C143 PolarHBondContact SG-SG 3.49Å; C138-N144 PolarHBondContact SG-N 3.22Å
139Y88.9Confident80.2Confident78 Ų7849.5 Ų49.531%0.30628%0.277SS..  trans-109.3134.2-178-68.2-104.3000110.7Q52 L102 K104 P105 R106 D107Q52-Y139 HydrophobicContact CG-CD1 3.81Å; Q52-Y139 HydrophobicContact CG-CD2 4.11Å; Q52-Y139 HydrophobicContact CG-CE1 3.28Å; Q52-Y139 HydrophobicContact CG-CE2 3.56Å; Q52-Y139 HydrophobicContact CG-CG 4.21Å; Q52-Y139 WeakPolarHBondContact CG-OH 3.08Å; Q52-Y139 PolarHBondContact NE2-OH 3.32Å; L102-Y139 PolarHBondContact O-OH 2.96Å; K104-Y139 PolarHBondContact O-OH 3.22Å; P105-Y139 WeakPolarHBondContact CA-OH 3.05Å; P105-Y139 HydrophobicContact CB-CD1 4.43Å; P105-Y139 HydrophobicContact CB-CE1 3.99Å; R106-Y139 VanDerWaalsContact O-CE2 3.3Å; R106-Y139 WeakPolarHBondContact O-CE2 3.26Å; D107-Y139 PolarHBondContact OD1-N 3.2Å
140G87.7Confident78.8Confident38 Ų3853.5 Ų53.539%0.39230%0.3SS..SBendtrans114.3173175.600000114.1C53 R142 C143C53-G140 PolarHBondContact SG-O 2.87Å; G140-R142 PolarHBondContact O-N 3.33Å; G140-C143 PolarHBondContact O-SG 3.16Å
141N90.3Very high77Confident106 Ų10651.1 Ų51.157%0.56730%0.298SS*.THydrogen-bonded Turntrans-67.4126-177.4-74.6-40.1000110.7A2 H3 C143A2-N141 VanDerWaalsContact CA-OD1 3.26Å; A2-N141 WeakPolarHBondContact CA-OD1 3.04Å; H3-N141 PolarHBondContact N-OD1 3.13Å; N141-C143 PolarHBondContact O-N 3.04Å
142R91.1Very high75Confident113 Ų11358.4 Ų58.443%0.42633%0.328SS..THydrogen-bonded Turntrans59.718.1170.9-58.8169.6-173.1-99.95.1113.8H3 Y5 L46 G140 N144 A145H3-R142 WeakPolarHBondContact O-CA 3.2Å; H3-R142 PolarHBondContact O-N 3.27Å; Y5-R142 HydrophobicContact CD2-CB 4.3Å; Y5-R142 HydrophobicContact CE2-CB 3.55Å; Y5-R142 HydrophobicContact CE2-CG 4.03Å; L46-R142 HydrophobicContact CD2-CG 4.09Å; G140-R142 PolarHBondContact O-N 3.33Å; R142-N144 PolarHBondContact O-N 3.04Å; R142-A145 PolarHBondContact O-N 3.08Å; R142-A145 VanDerWaalsContact O-N 3.16Å
143C91.5Very high72.8Confident31 Ų3155.1 Ų55.121%0.20933%0.329CS..G310 helixtrans-63.5-27.9-176.866.60000111.9C138 G140 N141 A145 A146C138-C143 HydrophobicContact CB-CB 3.79Å; C138-C143 WeakPolarHBondContact CB-SG 3.31Å; C138-C143 PolarHBondContact O-SG 3.36Å; C138-C143 VanDerWaalsContact O-SG 3.33Å; C138-C143 WeakPolarHBondContact SG-CB 3.33Å; C138-C143 CovalentContact SG-SG 2.04Å; C138-C143 PolarHBondContact SG-SG 3.49Å; G140-C143 PolarHBondContact O-SG 3.16Å; N141-C143 PolarHBondContact O-N 3.04Å; C143-A145 PolarHBondContact O-N 2.92Å; C143-A146 PolarHBondContact O-N 3.44Å
144N91.9Very high70.4Confident2 Ų259.7 Ų59.71%0.01136%0.361CS..G310 helixtrans-76.918.8177.672.2-25000113.4Y5 C53 V54 R81 C138 R142Y5-N144 WeakPolarHBondContact CD2-OD1 3.12Å; Y5-N144 PolarHBondContact N-OD1 2.97Å; Y5-N144 PolarHBondContact O-ND2 3.18Å; C53-N144 HydrophobicContact CB-CB 3.58Å; V54-N144 PolarHBondContact O-ND2 3.33Å; R81-N144 WeakPolarHBondContact CD-O 3.14Å; R81-N144 PolarHBondContact NH1-O 2.04Å; C138-N144 PolarHBondContact SG-N 3.22Å; R142-N144 PolarHBondContact O-N 3.04Å
145A88.8Confident68.2Low22 Ų2269.3 Ų69.318%0.18239%0.394CS..G310 helixtrans-77.8-25.5161.800000113Y5 M36 R142 C143 S147Y5-A145 HydrophobicContact CD2-CB 3.94Å; Y5-A145 HydrophobicContact CE2-CB 3.5Å; M36-A145 HydrophobicContact CB-CB 4.36Å; M36-A145 WeakPolarHBondContact CB-O 3.3Å; M36-A145 HydrophobicContact CE-CB 3.76Å; M36-A145 WeakPolarHBondContact CG-O 2.74Å; R142-A145 PolarHBondContact O-N 3.08Å; R142-A145 VanDerWaalsContact O-N 3.16Å; C143-A145 PolarHBondContact O-N 2.92Å; A145-S147 PolarHBondContact O-N 2.91Å
146A73.9Confident66.2Low52 Ų5276.2 Ų76.243%0.4343%0.431SS..SBendtrans-62.3111.3-17900000109.8C143 S148C143-A146 PolarHBondContact O-N 3.44Å; A146-S148 PolarHBondContact O-N 2.74Å; A146-S148 VanDerWaalsContact O-N 3.08Å
147S58Low64Low43 Ų4383.4 Ų83.430%0.30147%0.467SS..SBendtrans-75.297.2170.5-68.80000106.9I34 T35 R81 A145I34-S147 PolarHBondContact O-OG 2.93Å; I34-S147 VanDerWaalsContact O-OG 3.08Å; T35-S147 PolarHBondContact O-OG 3.27Å; R81-S147 PolarHBondContact NH2-OG 2.91Å; R81-S147 VanDerWaalsContact NH2-OG 3.15Å; A145-S147 PolarHBondContact O-N 2.91Å
148S47.8Very low62Low62 Ų6291 Ų9143%0.43451%0.507SS..SBendtrans59.7116-166.839.60000113A146 T150A146-S148 PolarHBondContact O-N 2.74Å; A146-S148 VanDerWaalsContact O-N 3.08Å; S148-T150 PolarHBondContact O-N 2.79Å
149I43.9Very low59.8Low69 Ų6995.1 Ų95.135%0.35453%0.533SS..  trans-59.797.3154.1-59.3170.7000103.8D107 A151D107-I149 HydrophobicContact CB-CD1 3.66Å; I149-A151 VanDerWaalsContact C-N 3.27Å; I149-A151 PolarHBondContact O-N 2.97Å
150T34Very low57.7Low118 Ų11896 Ų9672%0.72456%0.556SS**  trans-44.5109.9153.4-510000102.9S148 K152S148-T150 PolarHBondContact O-N 2.79Å; T150-K152 PolarHBondContact O-N 2.86Å
151A32.1Very low56.2Low77 Ų77101 Ų10164%0.63657%0.573SS**  trans-39.9124.416900000104.4I149 A153I149-A151 VanDerWaalsContact C-N 3.27Å; I149-A151 PolarHBondContact O-N 2.97Å; A151-A153 PolarHBondContact O-N 2.58Å
152K35.7Very low54.6Low199 Ų199101.7 Ų101.787%0.86558%0.576SS**  trans-59.982.1169.1-79.1179.7177175.90104.8T150 S154T150-K152 PolarHBondContact O-N 2.86Å; K152-S154 PolarHBondContact O-N 2.91Å
153A35.7Very low52.5Low83 Ų83102.9 Ų102.969%0.68660%0.6SS**  trans-56.6102150.400000101.1A151 R155A151-A153 PolarHBondContact O-N 2.58Å; A153-R155 PolarHBondContact O-N 2.72Å
154S36.7Very low50.6Low99 Ų99107.9 Ų107.969%0.69262%0.623SS**  trans-37.3112.2165.4-71.90000106K152 L156K152-S154 PolarHBondContact O-N 2.91Å; S154-L156 PolarHBondContact O-N 2.87Å
155R42.6Very low48.9Very low239 Ų239115 Ų11590%0.90266%0.659SS**  trans-66.674.8163.1-70.4-172.5-179-166.90.2105.2A153 L157A153-R155 PolarHBondContact O-N 2.72Å; R155-L157 VanDerWaalsContact C-N 3.28Å; R155-L157 PolarHBondContact O-N 3.06Å
156L45.7Very low47.1Very low147 Ų147118.3 Ų118.377%0.7768%0.681SS**  trans-60.6106.8154.3-100147.6000103.5S154 L158S154-L156 PolarHBondContact O-N 2.87Å; L156-L158 VanDerWaalsContact C-N 3.34Å; L156-L158 PolarHBondContact O-N 2.87Å
157L45Very low46Very low164 Ų164120.7 Ų120.786%0.85970%0.701SS**  trans-45.699.6168.9-71.1127.4000108R155 P159R155-L157 VanDerWaalsContact C-N 3.28Å; R155-L157 PolarHBondContact O-N 3.06Å; L157-P159 WeakPolarHBondContact O-CD 3.44Å
158L47.8Very low45.8Very low161 Ų161124.1 Ų124.184%0.84373%0.725SS**  trans-80.8115.5154.2-96.5108.9000105.7L156 A160L156-L158 VanDerWaalsContact C-N 3.34Å; L156-L158 PolarHBondContact O-N 2.87Å; L158-A160 PolarHBondContact O-N 2.81Å
159P47.1Very low45.8Very low94 Ų94128.6 Ų128.661%0.6174%0.743SS**  trans-61.6137.5172.428.1-31.2000107.6L157 I161L157-P159 WeakPolarHBondContact O-CD 3.44Å; P159-I161 VanDerWaalsContact C-N 3.26Å; P159-I161 HydrophobicContact CG-CD1 4.48Å; P159-I161 HydrophobicContact CG-CG1 4.32Å; P159-I161 PolarHBondContact O-N 3.43Å
160A44.8Very low45.9Very low96 Ų96133.9 Ų133.979%0.79377%0.771SS**  trans-60.989.6169.800000108.9L158 I162L158-A160 PolarHBondContact O-N 2.81Å; A160-I162 VanDerWaalsContact C-N 3.26Å; A160-I162 PolarHBondContact O-N 2.98Å; A160-I162 VanDerWaalsContact O-N 3.12Å
161I56.1Low46.7Very low143 Ų143143.5 Ų143.573%0.73379%0.794SS**  trans-84.281.8168.1-59178.2000106.9P159 C163P159-I161 VanDerWaalsContact C-N 3.26Å; P159-I161 HydrophobicContact CG-CD1 4.48Å; P159-I161 HydrophobicContact CG-CG1 4.32Å; P159-I161 PolarHBondContact O-N 3.43Å; I161-C163 PolarHBondContact O-N 3.12Å
162I56Low47.4Very low122 Ų122146.9 Ų146.963%0.62680%0.802SS**  41.585.2126.9-55175.5000114A160 I164A160-I162 VanDerWaalsContact C-N 3.26Å; A160-I162 PolarHBondContact O-N 2.98Å; A160-I162 VanDerWaalsContact O-N 3.12Å; I162-I164 HydrophobicContact CG2-CB 3.62Å; I162-I164 HydrophobicContact CG2-CD1 3.84Å; I162-I164 HydrophobicContact CG2-CG1 3.61Å; I162-I164 PolarHBondContact O-N 3.48Å
163C48.2Very low48Very low138 Ų138144.1 Ų144.193%0.93280%0.799SS**  trans-72.763.9156.2-73.80000110.3I161I161-C163 PolarHBondContact O-N 3.12Å
164I50.4Low48.7Very low135 Ų135147.5 Ų147.569%0.69281%0.805SS**  trans-128.174.5172.8-51.3178.1000107.9I162I162-I164 HydrophobicContact CG2-CB 3.62Å; I162-I164 HydrophobicContact CG2-CD1 3.84Å; I162-I164 HydrophobicContact CG2-CG1 3.61Å; I162-I164 PolarHBondContact O-N 3.48Å
165I56.4Low49.4Very low151 Ų151150.4 Ų150.477%0.77481%0.812SS**  trans-141.279.8156.5-46.5177.7000107.4A167I165-A167 PolarHBondContact O-N 3.33Å
166S50.6Low49.9Very low92 Ų92144.8 Ų144.864%0.64381%0.806SS**  trans25.888.2136.650.10000117
167A51.5Low50.1Low103 Ų103144.7 Ų144.785%0.85181%0.808SS**  trans-102.626.816300000112.2I165I165-A167 PolarHBondContact O-N 3.33Å
168S53.7Low50.5Low114 Ų114143.3 Ų143.380%0.79781%0.805SS**  trans-103.918-176.7-46.40000114.3
169L46.9Very low50.7Low157 Ų157141.9 Ų141.982%0.82280%0.802SS**  trans-115.170.5172.2-89.8120.8000110
170L46.4Very low51Low179 Ų179145.9 Ų145.994%0.93782%0.818SS**  trans-161.970.7159.9-99.5132.9000107.2
171R51.3Low51.6Low321 Ų321150.5 Ų150.5100%1.21182%0.82SS**  trans-134.50155-101.7-172179.5-177.40.1107.1

Retrieved 171 of 171 residues in 471.6 ms (Link to these results)

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