A0A3Q0KJD6_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KJD6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 654 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
1M58.8Low69.4Low73 Ų7345.3 Ų45.336%0.3628%0.276SS..  01480178-176.774.100108.5T3 L21 C22 V69 L102M1-T3 HydrophobicContact CE-CG2 4.3Å; M1-L21 HydrophobicContact CE-CB 4.02Å; M1-L21 HydrophobicContact SD-CB 4.28Å; M1-C22 WeakPolarHBondContact CE-SG 3.31Å; M1-C22 PolarHBondContact SD-SG 3.31Å; M1-V69 HydrophobicContact CB-CB 4.43Å; M1-V69 HydrophobicContact CE-CB 4.12Å; M1-V69 HydrophobicContact CE-CG2 3.89Å; M1-V69 PolarHBondContact N-O 2.94Å; M1-V69 PolarHBondContact O-N 3.5Å; M1-L102 HydrophobicContact SD-CB 4.48Å
2V56.1Low70.8Confident32 Ų3254.7 Ų54.719%0.19431%0.314CS..EExtended strand (participates in β ladder)trans-113.8126.7173-177.90000108.7T66 V67V2-T66 HydrophobicContact CG1-CG2 3.36Å; V2-V67 WeakPolarHBondContact CA-O 3.4Å
3T64.3Low71.9Confident24 Ų2455.2 Ų55.215%0.14732%0.318CS..EExtended strand (participates in β ladder)trans-135.7157.4176.4-168.70000110.5M1 V67 V69M1-T3 HydrophobicContact CE-CG2 4.3Å; T3-V67 HydrophobicContact CG2-CG2 3.57Å; T3-V67 PolarHBondContact N-O 3.06Å; T3-V67 VanDerWaalsContact N-O 3.09Å; T3-V67 PolarHBondContact O-N 3.23Å; T3-V69 HydrophobicContact CG2-CG2 4.38Å
4S63.8Low72.7Confident47 Ų4751.4 Ų51.433%0.32930%0.296SS..EExtended strand (participates in β ladder)trans-106.1131.2178.856.80000110.1L65S4-L65 WeakPolarHBondContact CA-O 3.4Å
5C67.1Low73.7Confident2 Ų251.1 Ų51.11%0.01429%0.294CS..EExtended strand (participates in β ladder)trans-107.9138.3177.1-63.40000110.8I14 L65C5-I14 HydrophobicContact CB-CD1 3.92Å; C5-I14 HydrophobicContact CB-CG1 4.2Å; C5-L65 PolarHBondContact N-O 3.48Å; C5-L65 PolarHBondContact O-N 2.81Å
6P68.9Low74.4Confident62 Ų6254 Ų5440%0.40330%0.304SS..EExtended strand (participates in β ladder)trans-61.1140.9170.1-16.328.4000110.7S8 A9 F54P6-S8 PolarHBondContact O-N 3.3Å; P6-A9 WeakPolarHBondContact O-CB 3.43Å; P6-A9 PolarHBondContact O-N 3.03Å; P6-F54 WeakPolarHBondContact O-CZ 3.37Å
7L66.2Low74.8Confident37 Ų3754.9 Ų54.919%0.19431%0.305CS..THydrogen-bonded Turntrans-64.4-5178.1-63.4174000114.4F54 H57 E58 E62L7-F54 HydrophobicContact CD2-CB 4.33Å; L7-F54 HydrophobicContact CD2-CD1 3.51Å; L7-F54 HydrophobicContact CD2-CE1 4.06Å; L7-F54 HydrophobicContact CD2-CG 4.1Å; L7-F54 WeakPolarHBondContact O-CD2 3.09Å; L7-F54 WeakPolarHBondContact O-CE2 3.24Å; L7-H57 HydrophobicContact CD2-CB 4.26Å; L7-E58 HydrophobicContact CD1-CG 4.14Å; L7-E62 WeakPolarHBondContact CD1-O 3.43Å
8S72Confident75.2Confident113 Ų11351.9 Ų51.979%0.7929%0.289SS*.THydrogen-bonded Turntrans-101.2-2.9175.658.80000114P6P6-S8 PolarHBondContact O-N 3.3Å
9A75.1Confident75.8Confident10 Ų1051.6 Ų51.68%0.08328%0.282CS..  trans-78.1132.9-176.800000111.1P6 V13 I14 L50 F54P6-A9 WeakPolarHBondContact O-CB 3.43Å; P6-A9 PolarHBondContact O-N 3.03Å; A9-V13 HydrophobicContact CB-CG1 4.23Å; A9-I14 HydrophobicContact CB-CD1 4.25Å; A9-I14 HydrophobicContact CB-CG1 3.88Å; A9-L50 WeakPolarHBondContact O-CD2 3.3Å; A9-F54 WeakPolarHBondContact O-CE2 3.35Å; A9-F54 WeakPolarHBondContact O-CZ 3.41Å
10N84.8Confident76Confident64 Ų6455.5 Ų55.534%0.34230%0.299SS..  trans-81.6167.1168.965.933.3000110.9Q12 V13 I14 E47N10-Q12 PolarHBondContact O-N 2.95Å; N10-Q12 WeakPolarHBondContact OD1-CB 3.18Å; N10-Q12 PolarHBondContact OD1-N 2.87Å; N10-V13 PolarHBondContact O-N 3.08Å; N10-V13 VanDerWaalsContact O-N 3.12Å; N10-V13 VanDerWaalsContact OD1-CG2 3.27Å; N10-V13 WeakPolarHBondContact OD1-CG2 2.83Å; N10-V13 PolarHBondContact OD1-N 3.3Å; N10-I14 PolarHBondContact O-N 3.12Å; N10-I14 VanDerWaalsContact O-N 3.11Å; N10-E47 WeakPolarHBondContact CB-OE1 3.4Å
11L86.6Confident75.7Confident34 Ų3454.6 Ų54.618%0.17829%0.294CS..Hα-helixtrans-62.6-31.5-175.2-170.963.5000112.6I14 D15 I44 E47 L50L11-I14 PolarHBondContact O-N 3.39Å; L11-D15 WeakPolarHBondContact O-CB 3.39Å; L11-D15 PolarHBondContact O-N 3.01Å; L11-I44 HydrophobicContact CD1-CG2 3.74Å; L11-E47 WeakPolarHBondContact CB-OE2 3.08Å; L11-E47 PolarHBondContact N-OE2 3.22Å; L11-L50 HydrophobicContact CB-CD2 3.93Å; L11-L50 HydrophobicContact CD1-CD2 4.3Å; L11-L50 VanDerWaalsContact N-CD2 3.33Å
12Q85.9Confident76.5Confident158 Ų15852.7 Ų52.774%0.73829%0.287SS*.Hα-helixtrans-64.5-41.7176-68.8-179.8-18.900112.3N10 I14 D15 Q16N10-Q12 PolarHBondContact O-N 2.95Å; N10-Q12 WeakPolarHBondContact OD1-CB 3.18Å; N10-Q12 PolarHBondContact OD1-N 2.87Å; Q12-I14 VanDerWaalsContact C-N 3.35Å; Q12-D15 PolarHBondContact O-N 3.31Å; Q12-Q16 WeakPolarHBondContact O-CB 3.29Å; Q12-Q16 PolarHBondContact O-N 3.2Å
13V84.4Confident77.8Confident61 Ų6156.1 Ų56.137%0.3731%0.312SS..Hα-helixtrans-66.2-41.3176.6170.20000110.2A9 N10 Q17A9-V13 HydrophobicContact CB-CG1 4.23Å; N10-V13 PolarHBondContact O-N 3.08Å; N10-V13 VanDerWaalsContact O-N 3.12Å; N10-V13 VanDerWaalsContact OD1-CG2 3.27Å; N10-V13 WeakPolarHBondContact OD1-CG2 2.83Å; N10-V13 PolarHBondContact OD1-N 3.3Å; V13-Q17 HydrophobicContact CG1-CG 4.46Å; V13-Q17 WeakPolarHBondContact O-CB 3.26Å; V13-Q17 VanDerWaalsContact O-CG 3.22Å; V13-Q17 WeakPolarHBondContact O-CG 3.28Å; V13-Q17 PolarHBondContact O-N 3.12Å
14I84.2Confident78.7Confident2 Ų256.3 Ų56.31%0.0131%0.311CS..Hα-helixtrans-65.7-45.7176.8-61.8178.1000110.6C5 A9 N10 L11 Q12 Q16 Q17 V18 I32 L50 F54C5-I14 HydrophobicContact CB-CD1 3.92Å; C5-I14 HydrophobicContact CB-CG1 4.2Å; A9-I14 HydrophobicContact CB-CD1 4.25Å; A9-I14 HydrophobicContact CB-CG1 3.88Å; N10-I14 PolarHBondContact O-N 3.12Å; N10-I14 VanDerWaalsContact O-N 3.11Å; L11-I14 PolarHBondContact O-N 3.39Å; Q12-I14 VanDerWaalsContact C-N 3.35Å; I14-Q16 PolarHBondContact O-N 2.8Å; I14-Q17 PolarHBondContact O-N 3.25Å; I14-V18 HydrophobicContact CG2-CG2 4.14Å; I14-V18 WeakPolarHBondContact O-CB 3.34Å; I14-V18 VanDerWaalsContact O-CG2 3.25Å; I14-V18 WeakPolarHBondContact O-CG2 3.24Å; I14-V18 PolarHBondContact O-N 2.84Å; I14-I32 HydrophobicContact CG2-CD1 3.63Å; I14-L50 HydrophobicContact CD1-CD1 3.53Å; I14-L50 HydrophobicContact CD1-CD2 3.63Å; I14-L50 HydrophobicContact CD1-CG 4.23Å; I14-F54 HydrophobicContact CD1-CZ 4.32Å
15D86.8Confident79.8Confident48 Ų4858.1 Ų58.126%0.25732%0.321SS..Hα-helixtrans-57.7-49.8177.6178.791.3000110.9L11 Q12 Q17 V18 R19 F30L11-D15 WeakPolarHBondContact O-CB 3.39Å; L11-D15 PolarHBondContact O-N 3.01Å; Q12-D15 PolarHBondContact O-N 3.31Å; D15-Q17 PolarHBondContact O-N 3.08Å; D15-V18 PolarHBondContact O-N 3.01Å; D15-R19 WeakPolarHBondContact O-CG 3.45Å; D15-R19 PolarHBondContact O-N 2.97Å; D15-R19 IonicContact OD1-CZ 3.68Å; D15-R19 IonicContact OD1-NE 3.53Å; D15-R19 IonicContact OD1-NH2 3.01Å; D15-R19 PolarHBondContact OD1-NH2 3.03Å; D15-R19 IonicContact OD2-CZ 3.64Å; D15-R19 IonicContact OD2-NE 2.79Å; D15-R19 PolarHBondContact OD2-NE 2.9Å; D15-R19 IonicContact OD2-NH2 3.56Å; D15-F30 HydrophobicContact CB-CZ 4.28Å; D15-F30 WeakPolarHBondContact OD1-CE1 3.47Å; D15-F30 WeakPolarHBondContact OD1-CZ 3.32Å
16Q84.6Confident80.5Confident97 Ų9766.5 Ų66.545%0.45336%0.357SS..Hα-helixtrans-61.3-44.9178-175.961.430.700111.9Q12 I14 V18 R19 E20Q12-Q16 WeakPolarHBondContact O-CB 3.29Å; Q12-Q16 PolarHBondContact O-N 3.2Å; I14-Q16 PolarHBondContact O-N 2.8Å; Q16-V18 PolarHBondContact O-N 3.41Å; Q16-R19 PolarHBondContact O-N 3.47Å; Q16-E20 PolarHBondContact NE2-OE1 3.1Å; Q16-E20 WeakPolarHBondContact O-CB 3.33Å; Q16-E20 WeakPolarHBondContact O-CG 3.47Å; Q16-E20 PolarHBondContact O-N 3.17Å
17Q81.5Confident81.3Confident70 Ų7070.4 Ų70.433%0.32737%0.374SS..Hα-helixtrans-61.3-44.2176.1-78.1178.34.700111.6V13 I14 D15 E20 L21V13-Q17 HydrophobicContact CG1-CG 4.46Å; V13-Q17 WeakPolarHBondContact O-CB 3.26Å; V13-Q17 VanDerWaalsContact O-CG 3.22Å; V13-Q17 WeakPolarHBondContact O-CG 3.28Å; V13-Q17 PolarHBondContact O-N 3.12Å; I14-Q17 PolarHBondContact O-N 3.25Å; D15-Q17 PolarHBondContact O-N 3.08Å; Q17-E20 PolarHBondContact O-N 3.44Å; Q17-L21 VanDerWaalsContact O-CB 3.24Å; Q17-L21 WeakPolarHBondContact O-CB 3.24Å; Q17-L21 WeakPolarHBondContact O-CD1 3.49Å; Q17-L21 WeakPolarHBondContact O-CG 3.17Å; Q17-L21 PolarHBondContact O-N 3.16Å
18V83.2Confident82.3Confident1 Ų171 Ų711%0.00638%0.376CS..Hα-helixtrans-64.9-42178.9168.90000110.8I14 D15 Q16 L21 C22 F24 F30 I32 V69I14-V18 HydrophobicContact CG2-CG2 4.14Å; I14-V18 WeakPolarHBondContact O-CB 3.34Å; I14-V18 VanDerWaalsContact O-CG2 3.25Å; I14-V18 WeakPolarHBondContact O-CG2 3.24Å; I14-V18 PolarHBondContact O-N 2.84Å; D15-V18 PolarHBondContact O-N 3.01Å; Q16-V18 PolarHBondContact O-N 3.41Å; V18-L21 PolarHBondContact O-N 3.37Å; V18-C22 VanDerWaalsContact O-CB 3.3Å; V18-C22 WeakPolarHBondContact O-CB 3.45Å; V18-C22 PolarHBondContact O-N 2.75Å; V18-F24 HydrophobicContact CG1-CD2 4.31Å; V18-F24 HydrophobicContact CG1-CE2 4.14Å; V18-F30 HydrophobicContact CB-CE2 3.98Å; V18-F30 HydrophobicContact CB-CZ 4.06Å; V18-F30 HydrophobicContact CG1-CD2 3.77Å; V18-F30 HydrophobicContact CG1-CE1 4.38Å; V18-F30 HydrophobicContact CG1-CE2 3.46Å; V18-F30 VanDerWaalsContact CG1-CE2 3.46Å; V18-F30 HydrophobicContact CG1-CG 4.37Å; V18-F30 HydrophobicContact CG1-CZ 3.78Å; V18-I32 HydrophobicContact CG2-CD1 4.26Å; V18-V69 HydrophobicContact CG1-CB 4.3Å; V18-V69 HydrophobicContact CG1-CG1 3.45Å; V18-V69 VanDerWaalsContact CG1-CG1 3.45Å; V18-V69 HydrophobicContact CG1-CG2 3.87Å; V18-V69 HydrophobicContact CG2-CG2 3.87Å
19R85.6Confident83.1Confident45 Ų4569 Ų6917%0.1736%0.36CS..Hα-helixtrans-61.1-46.2175.4-71.5-177-167.9-72.1-12.6111.9D15 Q16 S23 F24 T25 K26 Q28 F30D15-R19 WeakPolarHBondContact O-CG 3.45Å; D15-R19 PolarHBondContact O-N 2.97Å; D15-R19 IonicContact OD1-CZ 3.68Å; D15-R19 IonicContact OD1-NE 3.53Å; D15-R19 IonicContact OD1-NH2 3.01Å; D15-R19 PolarHBondContact OD1-NH2 3.03Å; D15-R19 IonicContact OD2-CZ 3.64Å; D15-R19 IonicContact OD2-NE 2.79Å; D15-R19 PolarHBondContact OD2-NE 2.9Å; D15-R19 IonicContact OD2-NH2 3.56Å; Q16-R19 PolarHBondContact O-N 3.47Å; R19-S23 CarbonylContact O-C 3.48Å; R19-S23 WeakPolarHBondContact O-CA 3.49Å; R19-S23 PolarHBondContact O-N 3.14Å; R19-F24 HydrophobicContact CB-CB 4.38Å; R19-F24 HydrophobicContact CG-CB 4.22Å; R19-F24 PolarHBondContact O-N 3.37Å; R19-T25 PolarHBondContact NH1-O 3.33Å; R19-K26 PolarHBondContact NH1-O 3.16Å; R19-K26 VanDerWaalsContact NH1-O 3.11Å; R19-Q28 PolarHBondContact NH1-O 3.46Å; R19-F30 HydrophobicContact CG-CE1 3.62Å; R19-F30 HydrophobicContact CG-CZ 4.25Å; R19-F30 VanDerWaalsContact CZ-CE1 3.45Å
20E79.2Confident83.8Confident130 Ų13069.6 Ų69.661%0.60736%0.361SS*.Hα-helixtrans-63.1-44.5176.8-73.7175.1-168.800111.9Q16 Q17Q16-E20 PolarHBondContact NE2-OE1 3.1Å; Q16-E20 WeakPolarHBondContact O-CB 3.33Å; Q16-E20 WeakPolarHBondContact O-CG 3.47Å; Q16-E20 PolarHBondContact O-N 3.17Å; Q17-E20 PolarHBondContact O-N 3.44Å
21L70.4Confident84Confident37 Ų3767 Ų6719%0.19435%0.347CS..Hα-helixtrans-66.6-46.3179.7-71.6168.3000111.2M1 Q17 V18 S23 L102M1-L21 HydrophobicContact CE-CB 4.02Å; M1-L21 HydrophobicContact SD-CB 4.28Å; Q17-L21 VanDerWaalsContact O-CB 3.24Å; Q17-L21 WeakPolarHBondContact O-CB 3.24Å; Q17-L21 WeakPolarHBondContact O-CD1 3.49Å; Q17-L21 WeakPolarHBondContact O-CG 3.17Å; Q17-L21 PolarHBondContact O-N 3.16Å; V18-L21 PolarHBondContact O-N 3.37Å; L21-S23 VanDerWaalsContact C-N 3.32Å; L21-S23 PolarHBondContact O-N 3.25Å; L21-L102 HydrophobicContact CB-CD2 3.95Å; L21-L102 HydrophobicContact CD2-CB 4.24Å; L21-L102 HydrophobicContact CD2-CD2 3.79Å; L21-L102 HydrophobicContact CD2-CG 4.17Å; L21-L102 WeakPolarHBondContact O-CD2 3.23Å
22C76.5Confident84.2Confident33 Ų3365.7 Ų65.722%0.22334%0.34CS..Hα-helixtrans-84.9-1.8-177.9-71.50000114.4M1 V18 F24M1-C22 WeakPolarHBondContact CE-SG 3.31Å; M1-C22 PolarHBondContact SD-SG 3.31Å; V18-C22 VanDerWaalsContact O-CB 3.3Å; V18-C22 WeakPolarHBondContact O-CB 3.45Å; V18-C22 PolarHBondContact O-N 2.75Å; C22-F24 HydrophobicContact CB-CD1 3.72Å; C22-F24 HydrophobicContact CB-CD2 3.54Å; C22-F24 HydrophobicContact CB-CE1 3.61Å; C22-F24 HydrophobicContact CB-CE2 3.39Å; C22-F24 HydrophobicContact CB-CG 3.71Å; C22-F24 HydrophobicContact CB-CZ 3.44Å; C22-F24 VanDerWaalsContact CB-CZ 3.44Å; C22-F24 PolarHBondContact O-N 2.95Å
23S82.2Confident84.2Confident104 Ų10458.6 Ų58.673%0.72731%0.307SS*.THydrogen-bonded Turntrans53.837.2-170.8-540000112.6R19 L21R19-S23 CarbonylContact O-C 3.48Å; R19-S23 WeakPolarHBondContact O-CA 3.49Å; R19-S23 PolarHBondContact O-N 3.14Å; L21-S23 VanDerWaalsContact C-N 3.32Å; L21-S23 PolarHBondContact O-N 3.25Å
24F84.5Confident84.2Confident27 Ų2756.1 Ų56.112%0.11829%0.291CS..  trans-75.6142.1175.9-65.8-30.9000110.5V18 R19 C22 Q28 F30 V69 N71V18-F24 HydrophobicContact CG1-CD2 4.31Å; V18-F24 HydrophobicContact CG1-CE2 4.14Å; R19-F24 HydrophobicContact CB-CB 4.38Å; R19-F24 HydrophobicContact CG-CB 4.22Å; R19-F24 PolarHBondContact O-N 3.37Å; C22-F24 HydrophobicContact CB-CD1 3.72Å; C22-F24 HydrophobicContact CB-CD2 3.54Å; C22-F24 HydrophobicContact CB-CE1 3.61Å; C22-F24 HydrophobicContact CB-CE2 3.39Å; C22-F24 HydrophobicContact CB-CG 3.71Å; C22-F24 HydrophobicContact CB-CZ 3.44Å; C22-F24 VanDerWaalsContact CB-CZ 3.44Å; C22-F24 PolarHBondContact O-N 2.95Å; F24-Q28 HydrophobicContact CB-CB 4.18Å; F24-Q28 HydrophobicContact CB-CG 4.29Å; F24-Q28 VanDerWaalsContact CD1-CD 3.41Å; F24-Q28 HydrophobicContact CD1-CG 4.15Å; F24-Q28 HydrophobicContact CG-CG 4.34Å; F24-F30 HydrophobicContact CD2-CB 3.87Å; F24-F30 AromaticContact CD2-CD1 3.45Å; F24-F30 HydrophobicContact CD2-CD1 3.45Å; F24-F30 VanDerWaalsContact CD2-CD1 3.45Å; F24-F30 HydrophobicContact CD2-CE1 4.07Å; F24-F30 AromaticContact CD2-CG 3.75Å; F24-F30 HydrophobicContact CD2-CG 3.75Å; F24-F30 HydrophobicContact CE2-CB 3.37Å; F24-F30 AromaticContact CE2-CD1 3.84Å; F24-F30 HydrophobicContact CE2-CD1 3.84Å; F24-F30 HydrophobicContact CE2-CD2 4.32Å; F24-F30 AromaticContact CE2-CG 3.61Å; F24-F30 HydrophobicContact CE2-CG 3.61Å; F24-F30 HydrophobicContact CG-CD1 4.41Å; F24-F30 HydrophobicContact CZ-CB 4.01Å; F24-V69 HydrophobicContact CE2-CG1 3.88Å; F24-V69 HydrophobicContact CZ-CG1 4.33Å; F24-N71 HydrophobicContact CE1-CB 4.1Å; F24-N71 HydrophobicContact CZ-CB 4.1Å
25T86Confident83.9Confident86 Ų8657.9 Ų57.953%0.52830%0.3SS..  trans-68.5163.917272.70000110.4R19 D27 Q28R19-T25 PolarHBondContact NH1-O 3.33Å; T25-D27 PolarHBondContact O-N 3.47Å; T25-D27 VanDerWaalsContact O-N 3.15Å; T25-Q28 PolarHBondContact O-N 3.46Å; T25-Q28 VanDerWaalsContact O-N 3.16Å; T25-Q28 VanDerWaalsContact OG1-CB 3.29Å; T25-Q28 WeakPolarHBondContact OG1-CB 3.26Å; T25-Q28 PolarHBondContact OG1-N 3.32Å
26K82.8Confident83.2Confident178 Ų17857.2 Ų57.277%0.77430%0.297SS*.THydrogen-bonded Turntrans-54.8-34.3-179.9-170.1179.5177.7-1750112.5R19R19-K26 PolarHBondContact NH1-O 3.16Å; R19-K26 VanDerWaalsContact NH1-O 3.11Å
27D85.3Confident82.4Confident143 Ų14357.7 Ų57.777%0.76530%0.299SS*.THydrogen-bonded Turntrans-105.10.8-175.6-49.8-52.9000113T25 P29T25-D27 PolarHBondContact O-N 3.47Å; T25-D27 VanDerWaalsContact O-N 3.15Å; D27-P29 WeakPolarHBondContact O-CD 3.41Å
28Q87.5Confident81.6Confident49 Ų4961.9 Ų61.923%0.22932%0.319CS..  trans-71.9124.5179.4179.4168.6-400110.3R19 F24 T25 N71R19-Q28 PolarHBondContact NH1-O 3.46Å; F24-Q28 HydrophobicContact CB-CB 4.18Å; F24-Q28 HydrophobicContact CB-CG 4.29Å; F24-Q28 VanDerWaalsContact CD1-CD 3.41Å; F24-Q28 HydrophobicContact CD1-CG 4.15Å; F24-Q28 HydrophobicContact CG-CG 4.34Å; T25-Q28 PolarHBondContact O-N 3.46Å; T25-Q28 VanDerWaalsContact O-N 3.16Å; T25-Q28 VanDerWaalsContact OG1-CB 3.29Å; T25-Q28 WeakPolarHBondContact OG1-CB 3.26Å; T25-Q28 PolarHBondContact OG1-N 3.32Å; Q28-N71 PolarHBondContact NE2-OD1 2.79Å
29P88.5Confident80.7Confident72 Ų7266 Ų6647%0.46834%0.338SS..  trans-74.5142.7177.929.5-33.7000110.9D27 G72 V73D27-P29 WeakPolarHBondContact O-CD 3.41Å; P29-G72 WeakPolarHBondContact O-CA 3.4Å; P29-G72 PolarHBondContact O-N 3.46Å; P29-V73 HydrophobicContact CB-CG1 4.19Å
30F90.3Very high80.1Confident23 Ų2367.6 Ų67.610%0.10135%0.349CS..EExtended strand (participates in β ladder)trans-149.1163.1171.365.9-94.4000110D15 V18 R19 F24 I32 V69 F70 G72D15-F30 HydrophobicContact CB-CZ 4.28Å; D15-F30 WeakPolarHBondContact OD1-CE1 3.47Å; D15-F30 WeakPolarHBondContact OD1-CZ 3.32Å; V18-F30 HydrophobicContact CB-CE2 3.98Å; V18-F30 HydrophobicContact CB-CZ 4.06Å; V18-F30 HydrophobicContact CG1-CD2 3.77Å; V18-F30 HydrophobicContact CG1-CE1 4.38Å; V18-F30 HydrophobicContact CG1-CE2 3.46Å; V18-F30 VanDerWaalsContact CG1-CE2 3.46Å; V18-F30 HydrophobicContact CG1-CG 4.37Å; V18-F30 HydrophobicContact CG1-CZ 3.78Å; R19-F30 HydrophobicContact CG-CE1 3.62Å; R19-F30 HydrophobicContact CG-CZ 4.25Å; R19-F30 VanDerWaalsContact CZ-CE1 3.45Å; F24-F30 HydrophobicContact CD2-CB 3.87Å; F24-F30 AromaticContact CD2-CD1 3.45Å; F24-F30 HydrophobicContact CD2-CD1 3.45Å; F24-F30 VanDerWaalsContact CD2-CD1 3.45Å; F24-F30 HydrophobicContact CD2-CE1 4.07Å; F24-F30 AromaticContact CD2-CG 3.75Å; F24-F30 HydrophobicContact CD2-CG 3.75Å; F24-F30 HydrophobicContact CE2-CB 3.37Å; F24-F30 AromaticContact CE2-CD1 3.84Å; F24-F30 HydrophobicContact CE2-CD1 3.84Å; F24-F30 HydrophobicContact CE2-CD2 4.32Å; F24-F30 AromaticContact CE2-CG 3.61Å; F24-F30 HydrophobicContact CE2-CG 3.61Å; F24-F30 HydrophobicContact CG-CD1 4.41Å; F24-F30 HydrophobicContact CZ-CB 4.01Å; F30-I32 HydrophobicContact CD2-CG1 4.03Å; F30-I32 HydrophobicContact CE2-CD1 3.83Å; F30-I32 HydrophobicContact CE2-CG1 3.7Å; F30-V69 HydrophobicContact CD2-CG1 4.23Å; F30-F70 CarbonylContact C-O 3.53Å; F30-F70 VanDerWaalsContact CA-O 3.27Å; F30-F70 WeakPolarHBondContact CA-O 3.13Å; F30-F70 VanDerWaalsContact CB-O 3.23Å; F30-F70 WeakPolarHBondContact CB-O 3.31Å; F30-G72 CarbonylContact C-O 3.52Å; F30-G72 VanDerWaalsContact C-O 3.3Å; F30-G72 WeakPolarHBondContact CA-O 3.45Å
31T88.9Confident80Confident8 Ų862.7 Ų62.75%0.04933%0.329CS..EExtended strand (participates in β ladder)trans-120136.3177.4-52.20000109.8K33 V43 V69 F70 G72 V73 P74 C81T31-K33 HydrophobicContact CG2-CG 4.01Å; T31-V43 HydrophobicContact CG2-CG1 3.92Å; T31-V43 HydrophobicContact CG2-CG2 4.02Å; T31-V69 WeakPolarHBondContact O-CA 3.37Å; T31-F70 PolarHBondContact N-O 3.01Å; T31-F70 PolarHBondContact O-N 2.91Å; T31-G72 PolarHBondContact N-O 3.13Å; T31-G72 VanDerWaalsContact N-O 3.09Å; T31-G72 PolarHBondContact OG1-O 2.97Å; T31-V73 WeakPolarHBondContact OG1-CA 3.34Å; T31-P74 WeakPolarHBondContact OG1-CD 3.23Å; T31-C81 WeakPolarHBondContact CB-SG 3.27Å; T31-C81 VanDerWaalsContact CG2-SG 3.57Å; T31-C81 PolarHBondContact OG1-SG 3Å; T31-C81 VanDerWaalsContact OG1-SG 3.35Å
32I89.3Confident80.6Confident7 Ų764 Ų644%0.03634%0.335CS..EExtended strand (participates in β ladder)trans-104130.4169.1-57.4172.7000107.2I14 V18 F30 V43 I44 V67 H68I14-I32 HydrophobicContact CG2-CD1 3.63Å; V18-I32 HydrophobicContact CG2-CD1 4.26Å; F30-I32 HydrophobicContact CD2-CG1 4.03Å; F30-I32 HydrophobicContact CE2-CD1 3.83Å; F30-I32 HydrophobicContact CE2-CG1 3.7Å; I32-V43 WeakPolarHBondContact O-CA 3.33Å; I32-I44 HydrophobicContact CB-CB 4.34Å; I32-I44 HydrophobicContact CG2-CB 4.25Å; I32-I44 HydrophobicContact CG2-CD1 4.11Å; I32-I44 HydrophobicContact CG2-CG1 4.4Å; I32-I44 PolarHBondContact O-N 3.39Å; I32-V67 HydrophobicContact CG2-CB 3.67Å; I32-V67 HydrophobicContact CG2-CG1 3.9Å; I32-V67 HydrophobicContact CG2-CG2 4.08Å; I32-H68 CarbonylContact C-O 3.46Å; I32-H68 WeakPolarHBondContact CA-O 3.31Å
33K87.3Confident81.1Confident10 Ų1064.7 Ų64.74%0.04334%0.339CS..EExtended strand (participates in β ladder)trans-124.7144.3170.8-56.7-163.7178.6-169.90111T31 P41 I42 V43 V67 H68 F70 C81 E84T31-K33 HydrophobicContact CG2-CG 4.01Å; K33-P41 HydrophobicContact CD-CB 3.97Å; K33-I42 CarbonylContact C-O 3.56Å; K33-I42 WeakPolarHBondContact CA-O 3.39Å; K33-V43 HydrophobicContact CD-CG2 4.13Å; K33-V43 HydrophobicContact CG-CG2 4.02Å; K33-V67 CarbonylContact O-C 3.47Å; K33-V67 WeakPolarHBondContact O-CA 3.25Å; K33-H68 PolarHBondContact N-O 2.85Å; K33-H68 PolarHBondContact O-N 3.36Å; K33-F70 HydrophobicContact CB-CE2 4.31Å; K33-F70 HydrophobicContact CD-CD2 4.46Å; K33-F70 HydrophobicContact CD-CE2 4.12Å; K33-F70 HydrophobicContact CG-CD2 4.26Å; K33-F70 HydrophobicContact CG-CE2 4.12Å; K33-C81 VanDerWaalsContact CE-SG 3.59Å; K33-E84 WeakPolarHBondContact CD-OE1 3.47Å; K33-E84 WeakPolarHBondContact CE-OE1 3.44Å; K33-E84 WeakPolarHBondContact CE-OE2 3.41Å; K33-E84 IonicContact NZ-OE1 2.76Å; K33-E84 PolarHBondContact NZ-OE1 2.9Å; K33-E84 IonicContact NZ-OE2 2.69Å; K33-E84 PolarHBondContact NZ-OE2 3.49Å
34W83.6Confident81.4Confident9 Ų960.2 Ų60.23%0.03431%0.307CS..EExtended strand (participates in β ladder)trans-115.7165.7166.475-69.4000109.1D36 P41 I42 I44 A53 L56 L65 V67W34-D36 HydrophobicContact CH2-CB 3.64Å; W34-D36 HydrophobicContact CZ2-CB 4.01Å; W34-D36 HydrophobicContact CZ3-CB 4.08Å; W34-P41 CarbonylContact O-C 3.35Å; W34-P41 WeakPolarHBondContact O-CA 3.22Å; W34-I42 VanDerWaalsContact CD1-O 3.28Å; W34-I42 PolarHBondContact N-O 3.38Å; W34-I42 PolarHBondContact O-N 3.48Å; W34-I44 HydrophobicContact CB-CD1 4.06Å; W34-I44 HydrophobicContact CG-CD1 4.13Å; W34-I44 HydrophobicContact CG-CG1 4.31Å; W34-A53 HydrophobicContact CD2-CB 3.64Å; W34-A53 HydrophobicContact CE3-CB 4.21Å; W34-A53 HydrophobicContact CG-CB 3.91Å; W34-A53 HydrophobicContact CZ2-CB 4.04Å; W34-L56 HydrophobicContact CH2-CB 3.82Å; W34-L56 HydrophobicContact CH2-CD1 3.48Å; W34-L56 VanDerWaalsContact CH2-CD1 3.48Å; W34-L56 HydrophobicContact CH2-CG 4.28Å; W34-L56 HydrophobicContact CZ2-CD1 3.79Å; W34-L56 HydrophobicContact CZ3-CB 4.32Å; W34-L65 HydrophobicContact CB-CD1 4.14Å; W34-L65 HydrophobicContact CB-CD2 4.49Å; W34-L65 HydrophobicContact CB-CG 4.45Å; W34-L65 HydrophobicContact CD2-CD1 4.37Å; W34-L65 HydrophobicContact CE3-CD1 3.97Å; W34-L65 HydrophobicContact CG-CD1 4.47Å; W34-V67 HydrophobicContact CB-CG1 4.49Å
35I77.5Confident81.4Confident38 Ų3862.9 Ų62.920%0.19533%0.329CS..EExtended strand (participates in β ladder)trans-108.2122.7-179.2-49.3-55000108.1H39 D40 P41 Y89I35-H39 HydrophobicContact CG2-CB 4.49Å; I35-D40 WeakPolarHBondContact CA-O 3.39Å; I35-P41 HydrophobicContact CD1-CB 3.96Å; I35-Y89 HydrophobicContact CD1-CD1 3.17Å; I35-Y89 HydrophobicContact CD1-CD2 4.47Å; I35-Y89 HydrophobicContact CD1-CE1 3.44Å; I35-Y89 VanDerWaalsContact CD1-CE1 3.44Å; I35-Y89 HydrophobicContact CD1-CG 3.72Å; I35-Y89 HydrophobicContact CG1-CD1 4Å; I35-Y89 HydrophobicContact CG1-CE1 4.48Å
36D73.4Confident81.4Confident34 Ų3460.8 Ų60.818%0.18232%0.317CS..  trans-80.6-174.7176.869.117.8000112.7W34 E38 H39 D40 I42W34-D36 HydrophobicContact CH2-CB 3.64Å; W34-D36 HydrophobicContact CZ2-CB 4.01Å; W34-D36 HydrophobicContact CZ3-CB 4.08Å; D36-E38 VanDerWaalsContact C-N 3.28Å; D36-E38 PolarHBondContact O-N 3.38Å; D36-E38 WeakPolarHBondContact OD1-CA 3.34Å; D36-E38 PolarHBondContact OD1-N 2.91Å; D36-H39 PolarHBondContact O-N 3.25Å; D36-H39 PolarHBondContact OD1-N 3.23Å; D36-D40 PolarHBondContact N-O 3.16Å; D36-D40 VanDerWaalsContact N-O 3.15Å; D36-D40 PolarHBondContact OD1-N 3.23Å; D36-I42 HydrophobicContact CB-CG1 4.05Å; D36-I42 WeakPolarHBondContact OD2-CD1 3.34Å; D36-I42 WeakPolarHBondContact OD2-CG1 3.34Å
37E66.2Low81.6Confident107 Ų10755.8 Ų55.850%0.530%0.297SS..THydrogen-bonded Turntrans-67.8-27.4-179.4-65.2177.6-168.500112.8H39 N60E37-H39 PolarHBondContact O-N 2.93Å; E37-H39 PolarHBondContact O-ND1 2.97Å; E37-N60 WeakPolarHBondContact CG-ND2 3.32Å; E37-N60 PolarHBondContact OE1-ND2 3.45Å; E37-N60 PolarHBondContact OE1-OD1 2.91Å
38E65.2Low81.6Confident159 Ų15956.3 Ų56.374%0.74330%0.297SS*.THydrogen-bonded Turntrans-83.4-0.1177.9-62-173.4164.400112.1D36 D40D36-E38 VanDerWaalsContact C-N 3.28Å; D36-E38 PolarHBondContact O-N 3.38Å; D36-E38 WeakPolarHBondContact OD1-CA 3.34Å; D36-E38 PolarHBondContact OD1-N 2.91Å; E38-D40 VanDerWaalsContact C-N 3.31Å
39H65.3Low81.5Confident87 Ų8757.3 Ų57.340%0.40330%0.301SS..  trans71.821.6-176.9-56.963.6000114I35 D36 E37I35-H39 HydrophobicContact CG2-CB 4.49Å; D36-H39 PolarHBondContact O-N 3.25Å; D36-H39 PolarHBondContact OD1-N 3.23Å; E37-H39 PolarHBondContact O-N 2.93Å; E37-H39 PolarHBondContact O-ND1 2.97Å
40D71.4Confident81.5Confident78 Ų7853.9 Ų53.942%0.41728%0.279SS..  trans-88.8137.6177.6-79-33.3000111.7I35 D36 E38 I42I35-D40 WeakPolarHBondContact CA-O 3.39Å; D36-D40 PolarHBondContact N-O 3.16Å; D36-D40 VanDerWaalsContact N-O 3.15Å; D36-D40 PolarHBondContact OD1-N 3.23Å; E38-D40 VanDerWaalsContact C-N 3.31Å; D40-I42 HydrophobicContact CB-CD1 4.16Å; D40-I42 PolarHBondContact O-N 3.15Å
41P78.6Confident81.2Confident28 Ų2858.9 Ų58.918%0.18230%0.301CS..EExtended strand (participates in β ladder)trans-80.699.2177.733.1-35000111K33 W34 I35 Y89K33-P41 HydrophobicContact CD-CB 3.97Å; W34-P41 CarbonylContact O-C 3.35Å; W34-P41 WeakPolarHBondContact O-CA 3.22Å; I35-P41 HydrophobicContact CD1-CB 3.96Å; P41-Y89 HydrophobicContact CB-CD2 3.95Å; P41-Y89 HydrophobicContact CB-CE1 4.26Å; P41-Y89 HydrophobicContact CB-CE2 3.44Å; P41-Y89 VanDerWaalsContact CB-CE2 3.44Å; P41-Y89 HydrophobicContact CG-CD2 3.95Å; P41-Y89 HydrophobicContact CG-CE2 3.6Å
42I82.6Confident80.8Confident63 Ų6362.1 Ų62.132%0.32332%0.315SS..EExtended strand (participates in β ladder)trans-90.2128.5-178.5-54.7-53.9000110.5K33 W34 D36 D40K33-I42 CarbonylContact C-O 3.56Å; K33-I42 WeakPolarHBondContact CA-O 3.39Å; W34-I42 VanDerWaalsContact CD1-O 3.28Å; W34-I42 PolarHBondContact N-O 3.38Å; W34-I42 PolarHBondContact O-N 3.48Å; D36-I42 HydrophobicContact CB-CG1 4.05Å; D36-I42 WeakPolarHBondContact OD2-CD1 3.34Å; D36-I42 WeakPolarHBondContact OD2-CG1 3.34Å; D40-I42 HydrophobicContact CB-CD1 4.16Å; D40-I42 PolarHBondContact O-N 3.15Å
43V87.8Confident80.6Confident49 Ų4961.8 Ų61.830%0.29731%0.313SS..EExtended strand (participates in β ladder)trans-71.9137.8177.3175.60000110.5T31 I32 K33T31-V43 HydrophobicContact CG2-CG1 3.92Å; T31-V43 HydrophobicContact CG2-CG2 4.02Å; I32-V43 WeakPolarHBondContact O-CA 3.33Å; K33-V43 HydrophobicContact CD-CG2 4.13Å; K33-V43 HydrophobicContact CG-CG2 4.02Å
44I87.1Confident80.4Confident10 Ų1062.1 Ų62.15%0.05132%0.315CS..EExtended strand (participates in β ladder)trans-104.5101.5168-51.9-179.2000108L11 I32 W34 L50 A53 L65 V67L11-I44 HydrophobicContact CD1-CG2 3.74Å; I32-I44 HydrophobicContact CB-CB 4.34Å; I32-I44 HydrophobicContact CG2-CB 4.25Å; I32-I44 HydrophobicContact CG2-CD1 4.11Å; I32-I44 HydrophobicContact CG2-CG1 4.4Å; I32-I44 PolarHBondContact O-N 3.39Å; W34-I44 HydrophobicContact CB-CD1 4.06Å; W34-I44 HydrophobicContact CG-CD1 4.13Å; W34-I44 HydrophobicContact CG-CG1 4.31Å; I44-L50 HydrophobicContact CD1-CD1 4.08Å; I44-L50 HydrophobicContact CG2-CB 3.76Å; I44-L50 HydrophobicContact CG2-CD1 4.18Å; I44-A53 HydrophobicContact CD1-CB 4.39Å; I44-L65 HydrophobicContact CD1-CD2 3.93Å; I44-V67 HydrophobicContact CD1-CG1 4.14Å
45S84.3Confident80.3Confident83 Ų8367.1 Ų67.158%0.5833%0.334SS*.  trans-116.5-16.7179.771.50000113.5E49S45-E49 VanDerWaalsContact CA-OE2 3.29Å; S45-E49 WeakPolarHBondContact CA-OE2 3.39Å; S45-E49 WeakPolarHBondContact CB-OE2 3.49Å; S45-E49 PolarHBondContact N-OE2 3.11Å; S45-E49 PolarHBondContact OG-OE1 2.94Å; S45-E49 PolarHBondContact OG-OE2 3.45Å
46S86.7Confident80.1Confident42 Ų4267.1 Ų67.129%0.29433%0.334SS..SBendtrans-134.1158.3-179.471.80000113.1M48 E49 L50S46-M48 PolarHBondContact O-N 3.41Å; S46-E49 PolarHBondContact N-OE2 2.8Å; S46-E49 PolarHBondContact O-N 3.33Å; S46-E49 WeakPolarHBondContact OG-CG 3.12Å; S46-E49 PolarHBondContact OG-N 2.92Å; S46-E49 PolarHBondContact OG-OE2 3.21Å; S46-L50 PolarHBondContact O-N 3.48Å
47E87.9Confident79.9Confident72 Ų7266.2 Ų66.234%0.33633%0.328SS..Hα-helixtrans-60.6-27.2174.4-168.668.3-167.100111.9N10 L11 K51N10-E47 WeakPolarHBondContact CB-OE1 3.4Å; L11-E47 WeakPolarHBondContact CB-OE2 3.08Å; L11-E47 PolarHBondContact N-OE2 3.22Å; E47-K51 HydrophobicContact CG-CD 4.42Å; E47-K51 WeakPolarHBondContact O-CB 3.49Å; E47-K51 VanDerWaalsContact O-CG 3.23Å; E47-K51 WeakPolarHBondContact O-CG 3.31Å; E47-K51 PolarHBondContact O-N 3.26Å
48M83.4Confident80.1Confident155 Ų15567.1 Ų67.176%0.76433%0.333SS*.Hα-helixtrans-69.5-46.7176.2-173.8178.9-65.500111.4S46 L50 K51 E52S46-M48 PolarHBondContact O-N 3.41Å; M48-L50 VanDerWaalsContact C-N 3.33Å; M48-L50 PolarHBondContact O-N 3.11Å; M48-K51 PolarHBondContact O-N 3.12Å; M48-E52 WeakPolarHBondContact O-CB 3.27Å; M48-E52 PolarHBondContact O-N 3.04Å
49E86.4Confident80.2Confident69 Ų6963.7 Ų63.732%0.32232%0.323SS..Hα-helixtrans-64.8-37.6176.7-70.1162.5165.900111.7S45 S46 E52 A53S45-E49 VanDerWaalsContact CA-OE2 3.29Å; S45-E49 WeakPolarHBondContact CA-OE2 3.39Å; S45-E49 WeakPolarHBondContact CB-OE2 3.49Å; S45-E49 PolarHBondContact N-OE2 3.11Å; S45-E49 PolarHBondContact OG-OE1 2.94Å; S45-E49 PolarHBondContact OG-OE2 3.45Å; S46-E49 PolarHBondContact N-OE2 2.8Å; S46-E49 PolarHBondContact O-N 3.33Å; S46-E49 WeakPolarHBondContact OG-CG 3.12Å; S46-E49 PolarHBondContact OG-N 2.92Å; S46-E49 PolarHBondContact OG-OE2 3.21Å; E49-E52 PolarHBondContact O-N 3.44Å; E49-A53 WeakPolarHBondContact O-CB 3.28Å; E49-A53 PolarHBondContact O-N 3.39Å
50L87.6Confident79.8Confident0 Ų062.8 Ų62.80%032%0.321CS..Hα-helixtrans-64.6-45.9174.8-179.562.8000111.7A9 L11 I14 I44 S46 M48 E52 A53 F54 L65A9-L50 WeakPolarHBondContact O-CD2 3.3Å; L11-L50 HydrophobicContact CB-CD2 3.93Å; L11-L50 HydrophobicContact CD1-CD2 4.3Å; L11-L50 VanDerWaalsContact N-CD2 3.33Å; I14-L50 HydrophobicContact CD1-CD1 3.53Å; I14-L50 HydrophobicContact CD1-CD2 3.63Å; I14-L50 HydrophobicContact CD1-CG 4.23Å; I44-L50 HydrophobicContact CD1-CD1 4.08Å; I44-L50 HydrophobicContact CG2-CB 3.76Å; I44-L50 HydrophobicContact CG2-CD1 4.18Å; S46-L50 PolarHBondContact O-N 3.48Å; M48-L50 VanDerWaalsContact C-N 3.33Å; M48-L50 PolarHBondContact O-N 3.11Å; L50-E52 VanDerWaalsContact C-N 3.27Å; L50-E52 PolarHBondContact O-N 2.79Å; L50-A53 WeakPolarHBondContact O-CB 3.48Å; L50-A53 PolarHBondContact O-N 3.14Å; L50-F54 HydrophobicContact CD1-CD1 4.4Å; L50-F54 HydrophobicContact CD1-CE1 3.82Å; L50-F54 HydrophobicContact CD1-CE2 4.01Å; L50-F54 HydrophobicContact CD1-CZ 3.61Å; L50-F54 HydrophobicContact CD2-CE2 4.15Å; L50-F54 HydrophobicContact CD2-CZ 4.28Å; L50-F54 HydrophobicContact CG-CD2 4.26Å; L50-F54 HydrophobicContact CG-CE1 4.48Å; L50-F54 HydrophobicContact CG-CE2 3.78Å; L50-F54 HydrophobicContact CG-CZ 3.91Å; L50-F54 WeakPolarHBondContact O-CG 3.43Å; L50-F54 PolarHBondContact O-N 2.92Å; L50-L65 HydrophobicContact CD1-CD2 4.12Å
51K84.6Confident79.1Confident129 Ų12964.6 Ų64.656%0.56133%0.325SS*.Hα-helixtrans-62.5-37.1176-77.7173.7-179.7176.40111.8E47 M48 F54 R55E47-K51 HydrophobicContact CG-CD 4.42Å; E47-K51 WeakPolarHBondContact O-CB 3.49Å; E47-K51 VanDerWaalsContact O-CG 3.23Å; E47-K51 WeakPolarHBondContact O-CG 3.31Å; E47-K51 PolarHBondContact O-N 3.26Å; M48-K51 PolarHBondContact O-N 3.12Å; K51-F54 PolarHBondContact O-N 2.98Å; K51-R55 WeakPolarHBondContact O-CB 3.23Å; K51-R55 PolarHBondContact O-N 3.11Å
52E81.6Confident78Confident76 Ų7667.8 Ų67.836%0.35534%0.337SS..Hα-helixtrans-69.8-42.2176.1-173.359.7-169.400111.7M48 E49 L50 F54 R55 L56M48-E52 WeakPolarHBondContact O-CB 3.27Å; M48-E52 PolarHBondContact O-N 3.04Å; E49-E52 PolarHBondContact O-N 3.44Å; L50-E52 VanDerWaalsContact C-N 3.27Å; L50-E52 PolarHBondContact O-N 2.79Å; E52-F54 VanDerWaalsContact C-N 3.31Å; E52-F54 PolarHBondContact O-N 3.38Å; E52-R55 VanDerWaalsContact CD-NE 3.32Å; E52-R55 WeakPolarHBondContact O-CB 3.43Å; E52-R55 PolarHBondContact O-N 3.21Å; E52-R55 VanDerWaalsContact O-N 3.17Å; E52-R55 IonicContact OE1-CZ 3.58Å; E52-R55 VanDerWaalsContact OE1-CZ 3.29Å; E52-R55 IonicContact OE1-NE 3.68Å; E52-R55 PolarHBondContact OE1-NE 3.37Å; E52-R55 VanDerWaalsContact OE1-NE 3.11Å; E52-R55 IonicContact OE1-NH2 2.77Å; E52-R55 PolarHBondContact OE1-NH2 3.47Å; E52-R55 WeakPolarHBondContact OE2-CD 3.37Å; E52-R55 IonicContact OE2-CZ 2.89Å; E52-R55 IonicContact OE2-NE 2.8Å; E52-R55 PolarHBondContact OE2-NE 2.98Å; E52-R55 IonicContact OE2-NH2 2.6Å; E52-L56 HydrophobicContact CG-CD1 4.1Å; E52-L56 WeakPolarHBondContact O-CB 3.35Å; E52-L56 WeakPolarHBondContact O-CG 3.23Å; E52-L56 PolarHBondContact O-N 2.91Å
53A83.7Confident76.7Confident0 Ų074.2 Ų74.20%036%0.358CS..Hα-helixtrans-57.1-45.4171.900000111W34 I44 E49 L50 L56 H57 L65W34-A53 HydrophobicContact CD2-CB 3.64Å; W34-A53 HydrophobicContact CE3-CB 4.21Å; W34-A53 HydrophobicContact CG-CB 3.91Å; W34-A53 HydrophobicContact CZ2-CB 4.04Å; I44-A53 HydrophobicContact CD1-CB 4.39Å; E49-A53 WeakPolarHBondContact O-CB 3.28Å; E49-A53 PolarHBondContact O-N 3.39Å; L50-A53 WeakPolarHBondContact O-CB 3.48Å; L50-A53 PolarHBondContact O-N 3.14Å; A53-L56 PolarHBondContact O-N 3.27Å; A53-H57 WeakPolarHBondContact O-CB 3.2Å; A53-H57 PolarHBondContact O-N 2.84Å; A53-L65 HydrophobicContact CB-CD1 4.29Å; A53-L65 HydrophobicContact CB-CD2 3.93Å
54F84Confident75.6Confident17 Ų1776.5 Ų76.58%0.07537%0.365CS..Hα-helixtrans-63.8-43.3173.9-68.6-22.4000113P6 L7 A9 I14 L50 K51 E52 L56 H57 E58 L65P6-F54 WeakPolarHBondContact O-CZ 3.37Å; L7-F54 HydrophobicContact CD2-CB 4.33Å; L7-F54 HydrophobicContact CD2-CD1 3.51Å; L7-F54 HydrophobicContact CD2-CE1 4.06Å; L7-F54 HydrophobicContact CD2-CG 4.1Å; L7-F54 WeakPolarHBondContact O-CD2 3.09Å; L7-F54 WeakPolarHBondContact O-CE2 3.24Å; A9-F54 WeakPolarHBondContact O-CE2 3.35Å; A9-F54 WeakPolarHBondContact O-CZ 3.41Å; I14-F54 HydrophobicContact CD1-CZ 4.32Å; L50-F54 HydrophobicContact CD1-CD1 4.4Å; L50-F54 HydrophobicContact CD1-CE1 3.82Å; L50-F54 HydrophobicContact CD1-CE2 4.01Å; L50-F54 HydrophobicContact CD1-CZ 3.61Å; L50-F54 HydrophobicContact CD2-CE2 4.15Å; L50-F54 HydrophobicContact CD2-CZ 4.28Å; L50-F54 HydrophobicContact CG-CD2 4.26Å; L50-F54 HydrophobicContact CG-CE1 4.48Å; L50-F54 HydrophobicContact CG-CE2 3.78Å; L50-F54 HydrophobicContact CG-CZ 3.91Å; L50-F54 WeakPolarHBondContact O-CG 3.43Å; L50-F54 PolarHBondContact O-N 2.92Å; K51-F54 PolarHBondContact O-N 2.98Å; E52-F54 VanDerWaalsContact C-N 3.31Å; E52-F54 PolarHBondContact O-N 3.38Å; F54-L56 VanDerWaalsContact C-N 3.32Å; F54-L56 PolarHBondContact O-N 3.02Å; F54-H57 PolarHBondContact O-N 2.93Å; F54-E58 WeakPolarHBondContact O-CB 3.37Å; F54-E58 WeakPolarHBondContact O-CG 3.39Å; F54-E58 PolarHBondContact O-N 2.93Å; F54-L65 HydrophobicContact CD1-CB 4.13Å; F54-L65 HydrophobicContact CD1-CD2 3.9Å; F54-L65 HydrophobicContact CE1-CB 3.88Å; F54-L65 HydrophobicContact CE1-CD2 3.72Å; F54-L65 HydrophobicContact CE1-CG 4.44Å
55R80.2Confident74.9Confident114 Ų11476.1 Ų76.143%0.4336%0.363SS..Hα-helixtrans-58.4-45.8177.3-169.2-164.869.771.5-1.8110.7K51 E52 E58 V59K51-R55 WeakPolarHBondContact O-CB 3.23Å; K51-R55 PolarHBondContact O-N 3.11Å; E52-R55 VanDerWaalsContact CD-NE 3.32Å; E52-R55 WeakPolarHBondContact O-CB 3.43Å; E52-R55 PolarHBondContact O-N 3.21Å; E52-R55 VanDerWaalsContact O-N 3.17Å; E52-R55 IonicContact OE1-CZ 3.58Å; E52-R55 VanDerWaalsContact OE1-CZ 3.29Å; E52-R55 IonicContact OE1-NE 3.68Å; E52-R55 PolarHBondContact OE1-NE 3.37Å; E52-R55 VanDerWaalsContact OE1-NE 3.11Å; E52-R55 IonicContact OE1-NH2 2.77Å; E52-R55 PolarHBondContact OE1-NH2 3.47Å; E52-R55 WeakPolarHBondContact OE2-CD 3.37Å; E52-R55 IonicContact OE2-CZ 2.89Å; E52-R55 IonicContact OE2-NE 2.8Å; E52-R55 PolarHBondContact OE2-NE 2.98Å; E52-R55 IonicContact OE2-NH2 2.6Å; R55-E58 PolarHBondContact O-N 2.83Å; R55-V59 VanDerWaalsContact O-CG2 3.25Å; R55-V59 WeakPolarHBondContact O-CG2 3.4Å; R55-V59 PolarHBondContact O-N 3.45Å
56L73.7Confident74.4Confident38 Ų3875.2 Ų75.220%0.19935%0.354CS..Hα-helixtrans-67.6-37.5177.3-69.5168.9000111.6W34 E52 A53 F54 V59 N60W34-L56 HydrophobicContact CH2-CB 3.82Å; W34-L56 HydrophobicContact CH2-CD1 3.48Å; W34-L56 VanDerWaalsContact CH2-CD1 3.48Å; W34-L56 HydrophobicContact CH2-CG 4.28Å; W34-L56 HydrophobicContact CZ2-CD1 3.79Å; W34-L56 HydrophobicContact CZ3-CB 4.32Å; E52-L56 HydrophobicContact CG-CD1 4.1Å; E52-L56 WeakPolarHBondContact O-CB 3.35Å; E52-L56 WeakPolarHBondContact O-CG 3.23Å; E52-L56 PolarHBondContact O-N 2.91Å; A53-L56 PolarHBondContact O-N 3.27Å; F54-L56 VanDerWaalsContact C-N 3.32Å; F54-L56 PolarHBondContact O-N 3.02Å; L56-V59 WeakPolarHBondContact O-CB 3.49Å; L56-V59 PolarHBondContact O-N 3.19Å; L56-N60 PolarHBondContact O-N 3Å; L56-N60 PolarHBondContact O-ND2 2.73Å
57H70.1Confident74.2Confident14 Ų1473.2 Ų73.27%0.06534%0.34CS..Hα-helixtrans-68.2-37.7174.5-122.845.5000113.6L7 A53 F54 V59 N60 K61 E62 Q64 L65L7-H57 HydrophobicContact CD2-CB 4.26Å; A53-H57 WeakPolarHBondContact O-CB 3.2Å; A53-H57 PolarHBondContact O-N 2.84Å; F54-H57 PolarHBondContact O-N 2.93Å; H57-V59 VanDerWaalsContact C-N 3.33Å; H57-N60 CarbonylContact O-C 3.56Å; H57-N60 WeakPolarHBondContact O-CA 3.42Å; H57-N60 PolarHBondContact O-N 2.76Å; H57-K61 PolarHBondContact O-N 3.35Å; H57-E62 VanDerWaalsContact CD2-CB 3.44Å; H57-E62 WeakPolarHBondContact CD2-CB 3.34Å; H57-E62 IonicContact CD2-OE2 3.27Å; H57-E62 IonicContact CE1-OE2 2.67Å; H57-E62 PolarHBondContact CE1-OE2 3.45Å; H57-E62 IonicContact ND1-OE2 3.58Å; H57-E62 WeakPolarHBondContact NE2-CB 3.2Å; H57-E62 IonicContact NE2-OE2 3.66Å; H57-E62 PolarHBondContact NE2-OE2 2.8Å; H57-E62 PolarHBondContact O-N 3.04Å; H57-Q64 PolarHBondContact CD2-O 3.37Å; H57-Q64 VanDerWaalsContact CD2-O 3.28Å; H57-Q64 PolarHBondContact NE2-O 3.39Å; H57-L65 HydrophobicContact CB-CD1 4.35Å
58E69.9Low73.9Confident126 Ų12671 Ų7159%0.58933%0.33SS*.Hα-helixtrans-64.7-38.7173.6-79.5-171.7166.500111.2L7 F54 R55 N60 K61L7-E58 HydrophobicContact CD1-CG 4.14Å; F54-E58 WeakPolarHBondContact O-CB 3.37Å; F54-E58 WeakPolarHBondContact O-CG 3.39Å; F54-E58 PolarHBondContact O-N 2.93Å; R55-E58 PolarHBondContact O-N 2.83Å; E58-N60 VanDerWaalsContact C-N 3.27Å; E58-N60 PolarHBondContact O-N 2.88Å; E58-K61 PolarHBondContact O-N 3.5Å
59V66.5Low74Confident88 Ų8863.9 Ų63.953%0.53330%0.295SS..Hα-helixtrans-59.9-40.7171.6169.90000110.6R55 L56 H57 K61R55-V59 VanDerWaalsContact O-CG2 3.25Å; R55-V59 WeakPolarHBondContact O-CG2 3.4Å; R55-V59 PolarHBondContact O-N 3.45Å; L56-V59 WeakPolarHBondContact O-CB 3.49Å; L56-V59 PolarHBondContact O-N 3.19Å; H57-V59 VanDerWaalsContact C-N 3.33Å; V59-K61 VanDerWaalsContact C-N 3.25Å; V59-K61 PolarHBondContact O-N 2.81Å
60N58.7Low74Confident67 Ų6761.2 Ų61.236%0.35828%0.282SS..THydrogen-bonded Turntrans-79.50.2175.4-70-53.5000114.7E37 L56 H57 E58 E62E37-N60 WeakPolarHBondContact CG-ND2 3.32Å; E37-N60 PolarHBondContact OE1-ND2 3.45Å; E37-N60 PolarHBondContact OE1-OD1 2.91Å; L56-N60 PolarHBondContact O-N 3Å; L56-N60 PolarHBondContact O-ND2 2.73Å; H57-N60 CarbonylContact O-C 3.56Å; H57-N60 WeakPolarHBondContact O-CA 3.42Å; H57-N60 PolarHBondContact O-N 2.76Å; E58-N60 VanDerWaalsContact C-N 3.27Å; E58-N60 PolarHBondContact O-N 2.88Å; N60-E62 PolarHBondContact O-N 3.23Å
61K55.8Low73.9Confident116 Ų11665.7 Ų65.750%0.50431%0.306SS..THydrogen-bonded Turntrans57.428.2-179.5-53.6-180-175.6173.10114.6H57 E58 V59 A518 P520H57-K61 PolarHBondContact O-N 3.35Å; E58-K61 PolarHBondContact O-N 3.5Å; V59-K61 VanDerWaalsContact C-N 3.25Å; V59-K61 PolarHBondContact O-N 2.81Å; K61-A518 PolarHBondContact NZ-O 3.27Å; K61-P520 HydrophobicContact CB-CG 3.82Å; K61-P520 HydrophobicContact CD-CG 4.08Å
62E55.1Low74Confident96 Ų9660 Ų6045%0.44929%0.285SS..  trans-90.1122.7173.5-67.3-164177.200109.9L7 H57 N60 Q64L7-E62 WeakPolarHBondContact CD1-O 3.43Å; H57-E62 VanDerWaalsContact CD2-CB 3.44Å; H57-E62 WeakPolarHBondContact CD2-CB 3.34Å; H57-E62 IonicContact CD2-OE2 3.27Å; H57-E62 IonicContact CE1-OE2 2.67Å; H57-E62 PolarHBondContact CE1-OE2 3.45Å; H57-E62 IonicContact ND1-OE2 3.58Å; H57-E62 WeakPolarHBondContact NE2-CB 3.2Å; H57-E62 IonicContact NE2-OE2 3.66Å; H57-E62 PolarHBondContact NE2-OE2 2.8Å; H57-E62 PolarHBondContact O-N 3.04Å; N60-E62 PolarHBondContact O-N 3.23Å; E62-Q64 PolarHBondContact O-N 2.83Å
63W56.5Low74.2Confident197 Ų19760.4 Ų60.475%0.74629%0.292SS*.SBendtrans-78.5-2.3-174.8-56.892.3000114.6
64Q64.1Low74.1Confident98 Ų9862 Ų6246%0.45830%0.302SS..EExtended strand (participates in β ladder)trans-148.1122.6-173.2-66.2-174.1-18.500109.8H57 E62 T66H57-Q64 PolarHBondContact CD2-O 3.37Å; H57-Q64 VanDerWaalsContact CD2-O 3.28Å; H57-Q64 PolarHBondContact NE2-O 3.39Å; E62-Q64 PolarHBondContact O-N 2.83Å; Q64-T66 PolarHBondContact O-N 2.97Å
65L71.9Confident74Confident1 Ų166.2 Ų66.21%0.00533%0.334CS..EExtended strand (participates in β ladder)trans-76.6118.4174.4-172.569.3000109.7S4 C5 W34 I44 L50 A53 F54 H57 V67S4-L65 WeakPolarHBondContact CA-O 3.4Å; C5-L65 PolarHBondContact N-O 3.48Å; C5-L65 PolarHBondContact O-N 2.81Å; W34-L65 HydrophobicContact CB-CD1 4.14Å; W34-L65 HydrophobicContact CB-CD2 4.49Å; W34-L65 HydrophobicContact CB-CG 4.45Å; W34-L65 HydrophobicContact CD2-CD1 4.37Å; W34-L65 HydrophobicContact CE3-CD1 3.97Å; W34-L65 HydrophobicContact CG-CD1 4.47Å; I44-L65 HydrophobicContact CD1-CD2 3.93Å; L50-L65 HydrophobicContact CD1-CD2 4.12Å; A53-L65 HydrophobicContact CB-CD1 4.29Å; A53-L65 HydrophobicContact CB-CD2 3.93Å; F54-L65 HydrophobicContact CD1-CB 4.13Å; F54-L65 HydrophobicContact CD1-CD2 3.9Å; F54-L65 HydrophobicContact CE1-CB 3.88Å; F54-L65 HydrophobicContact CE1-CD2 3.72Å; F54-L65 HydrophobicContact CE1-CG 4.44Å; H57-L65 HydrophobicContact CB-CD1 4.35Å; L65-V67 HydrophobicContact CD2-CG1 3.89Å; L65-V67 HydrophobicContact CG-CG1 3.95Å
66T74.4Confident73.8Confident64 Ų6466.3 Ų66.339%0.39334%0.339SS..EExtended strand (participates in β ladder)trans-82.8120.2171.7-62.30000109.5V2 Q64V2-T66 HydrophobicContact CG1-CG2 3.36Å; Q64-T66 PolarHBondContact O-N 2.97Å
67V81.9Confident73.7Confident0 Ų070.8 Ų70.80%037%0.371CS..EExtended strand (participates in β ladder)trans-117.4145179-58.90000112.2V2 T3 I32 K33 W34 I44 L65V2-V67 WeakPolarHBondContact CA-O 3.4Å; T3-V67 HydrophobicContact CG2-CG2 3.57Å; T3-V67 PolarHBondContact N-O 3.06Å; T3-V67 VanDerWaalsContact N-O 3.09Å; T3-V67 PolarHBondContact O-N 3.23Å; I32-V67 HydrophobicContact CG2-CB 3.67Å; I32-V67 HydrophobicContact CG2-CG1 3.9Å; I32-V67 HydrophobicContact CG2-CG2 4.08Å; K33-V67 CarbonylContact O-C 3.47Å; K33-V67 WeakPolarHBondContact O-CA 3.25Å; W34-V67 HydrophobicContact CB-CG1 4.49Å; I44-V67 HydrophobicContact CD1-CG1 4.14Å; L65-V67 HydrophobicContact CD2-CG1 3.89Å; L65-V67 HydrophobicContact CG-CG1 3.95Å
68H82.7Confident73.6Confident25 Ų2574.3 Ų74.312%0.11641%0.411CS..EExtended strand (participates in β ladder)trans-100.8123.1173.8-69.2-111000109I32 K33 F70 Y89I32-H68 CarbonylContact C-O 3.46Å; I32-H68 WeakPolarHBondContact CA-O 3.31Å; K33-H68 PolarHBondContact N-O 2.85Å; K33-H68 PolarHBondContact O-N 3.36Å; H68-F70 HydrophobicContact CB-CE2 3.64Å; H68-F70 HydrophobicContact CB-CZ 3.96Å; H68-Y89 HydrophobicContact CB-CE1 4.4Å; H68-Y89 AromaticContact CE1-CD1 3.84Å; H68-Y89 AromaticContact CE1-CE1 3.65Å; H68-Y89 AromaticContact CG-CE1 3.77Å; H68-Y89 AromaticContact ND1-CE1 3.54Å; H68-Y89 AromaticContact NE2-CE1 3.98Å
69V85.3Confident74Confident6 Ų673.4 Ų73.44%0.03641%0.405CS..EExtended strand (participates in β ladder)trans-106.4127.4178.5-177.70000110M1 T3 V18 F24 F30 T31M1-V69 HydrophobicContact CB-CB 4.43Å; M1-V69 HydrophobicContact CE-CB 4.12Å; M1-V69 HydrophobicContact CE-CG2 3.89Å; M1-V69 PolarHBondContact N-O 2.94Å; M1-V69 PolarHBondContact O-N 3.5Å; T3-V69 HydrophobicContact CG2-CG2 4.38Å; V18-V69 HydrophobicContact CG1-CB 4.3Å; V18-V69 HydrophobicContact CG1-CG1 3.45Å; V18-V69 VanDerWaalsContact CG1-CG1 3.45Å; V18-V69 HydrophobicContact CG1-CG2 3.87Å; V18-V69 HydrophobicContact CG2-CG2 3.87Å; F24-V69 HydrophobicContact CE2-CG1 3.88Å; F24-V69 HydrophobicContact CZ-CG1 4.33Å; F30-V69 HydrophobicContact CD2-CG1 4.23Å; T31-V69 WeakPolarHBondContact O-CA 3.37Å
70F85.6Confident74.5Confident13 Ų1372.8 Ų72.86%0.05740%0.403CS..EExtended strand (participates in β ladder)trans-116.9136.1178-60.4-81.3000111.1F30 T31 K33 H68 G72 C81 E84 M88 Y89F30-F70 CarbonylContact C-O 3.53Å; F30-F70 VanDerWaalsContact CA-O 3.27Å; F30-F70 WeakPolarHBondContact CA-O 3.13Å; F30-F70 VanDerWaalsContact CB-O 3.23Å; F30-F70 WeakPolarHBondContact CB-O 3.31Å; T31-F70 PolarHBondContact N-O 3.01Å; T31-F70 PolarHBondContact O-N 2.91Å; K33-F70 HydrophobicContact CB-CE2 4.31Å; K33-F70 HydrophobicContact CD-CD2 4.46Å; K33-F70 HydrophobicContact CD-CE2 4.12Å; K33-F70 HydrophobicContact CG-CD2 4.26Å; K33-F70 HydrophobicContact CG-CE2 4.12Å; H68-F70 HydrophobicContact CB-CE2 3.64Å; H68-F70 HydrophobicContact CB-CZ 3.96Å; F70-G72 PolarHBondContact O-N 3.16Å; F70-C81 HydrophobicContact CB-CB 3.5Å; F70-C81 HydrophobicContact CD1-CB 4.2Å; F70-C81 HydrophobicContact CD2-CB 4.24Å; F70-C81 HydrophobicContact CG-CB 3.72Å; F70-E84 HydrophobicContact CD1-CB 3.78Å; F70-E84 HydrophobicContact CD1-CG 4.39Å; F70-E84 HydrophobicContact CE1-CB 3.51Å; F70-E84 HydrophobicContact CE1-CG 3.72Å; F70-E84 HydrophobicContact CE2-CG 4.26Å; F70-E84 HydrophobicContact CG-CB 4.46Å; F70-E84 HydrophobicContact CZ-CB 3.97Å; F70-E84 HydrophobicContact CZ-CG 3.65Å; F70-M88 HydrophobicContact CE1-CE 4.36Å; F70-M88 HydrophobicContact CE1-SD 4.34Å; F70-Y89 VanDerWaalsContact CE2-OH 3.3Å; F70-Y89 WeakPolarHBondContact CE2-OH 3.45Å; F70-Y89 WeakPolarHBondContact CZ-OH 2.99Å
71N85.5Confident75.6Confident94 Ų9469.8 Ų69.850%0.50339%0.387SS..EExtended strand (participates in β ladder)trans-77.1111.5176.1-176.216000109.3F24 Q28F24-N71 HydrophobicContact CE1-CB 4.1Å; F24-N71 HydrophobicContact CZ-CB 4.1Å; Q28-N71 PolarHBondContact NE2-OD1 2.79Å
72G86.1Confident76.6Confident11 Ų1168.1 Ų68.111%0.11339%0.388CS..SBendtrans103.2178.1-172.500000114.7P29 F30 T31 F70P29-G72 WeakPolarHBondContact O-CA 3.4Å; P29-G72 PolarHBondContact O-N 3.46Å; F30-G72 CarbonylContact C-O 3.52Å; F30-G72 VanDerWaalsContact C-O 3.3Å; F30-G72 WeakPolarHBondContact CA-O 3.45Å; T31-G72 PolarHBondContact N-O 3.13Å; T31-G72 VanDerWaalsContact N-O 3.09Å; T31-G72 PolarHBondContact OG1-O 2.97Å; F70-G72 PolarHBondContact O-N 3.16Å
73V85.5Confident77.3Confident84 Ų8467.3 Ų67.351%0.50941%0.405SS..  trans-113.6150.4177.1-70.60000110.2P29 T31 P82P29-V73 HydrophobicContact CB-CG1 4.19Å; T31-V73 WeakPolarHBondContact OG1-CA 3.34Å; V73-P82 WeakPolarHBondContact O-CD 3.33Å
74P82.6Confident78.2Confident32 Ų3258.9 Ų58.921%0.20837%0.374CS..  trans-62.1150.3172.728.3-33.6000110.2T31 E76 K79T31-P74 WeakPolarHBondContact OG1-CD 3.23Å; P74-E76 VanDerWaalsContact C-N 3.25Å; P74-E76 PolarHBondContact O-N 3.45Å; P74-K79 HydrophobicContact CB-CB 4.38Å; P74-K79 VanDerWaalsContact CB-O 3.29Å; P74-K79 WeakPolarHBondContact CB-O 3.48Å
75S81.2Confident78.3Confident106 Ų10656.6 Ų56.674%0.74137%0.365SS*.SBendtrans-65.4-31.5-179.156.90000112.7
76E76.2Confident77.8Confident116 Ų11660.6 Ų60.654%0.54239%0.386SS..SBendtrans-146.5153.5179.4-63.5175.4167.500109.5P74 G78 K79P74-E76 VanDerWaalsContact C-N 3.25Å; P74-E76 PolarHBondContact O-N 3.45Å; E76-G78 PolarHBondContact O-N 3.3Å; E76-K79 HydrophobicContact CB-CG 3.96Å; E76-K79 WeakPolarHBondContact O-CB 3.47Å; E76-K79 PolarHBondContact O-N 2.95Å; E76-K79 VanDerWaalsContact O-N 3.11Å
77P72.5Confident77Confident133 Ų13359 Ų5986%0.86438%0.375SS*.THydrogen-bonded Turntrans-51.8133.7170.1-25.134.6000111.6K79P77-K79 VanDerWaalsContact C-N 3.34Å
78G68.1Low76Confident88 Ų8863.2 Ų63.291%0.90740%0.395SS*.THydrogen-bonded Turntrans83.9-4.9-177.700000115.8E76E76-G78 PolarHBondContact O-N 3.3Å
79K77.9Confident75Confident106 Ų10662.7 Ų62.746%0.46139%0.393SS..SBendtrans-88.2155.2172.2-64.5-69.7-175.6179.30112P74 E76 P77P74-K79 HydrophobicContact CB-CB 4.38Å; P74-K79 VanDerWaalsContact CB-O 3.29Å; P74-K79 WeakPolarHBondContact CB-O 3.48Å; E76-K79 HydrophobicContact CB-CG 3.96Å; E76-K79 WeakPolarHBondContact O-CB 3.47Å; E76-K79 PolarHBondContact O-N 2.95Å; E76-K79 VanDerWaalsContact O-N 3.11Å; P77-K79 VanDerWaalsContact C-N 3.34Å
80P77.8Confident73.3Confident75 Ų7567.1 Ų67.149%0.48741%0.409SS..PPolyproline II helixtrans-67.4148.8170.226.9-32.8000111.8E84P80-E84 WeakPolarHBondContact CA-OE2 3.08Å; P80-E84 HydrophobicContact CB-CB 3.95Å; P80-E84 HydrophobicContact CB-CG 4.09Å
81C81.8Confident71.5Confident5 Ų574 Ų743%0.03443%0.434CS..PPolyproline II helixtrans-66.7160.1170.6-62.50000111.2T31 K33 F70 G83 E84T31-C81 WeakPolarHBondContact CB-SG 3.27Å; T31-C81 VanDerWaalsContact CG2-SG 3.57Å; T31-C81 PolarHBondContact OG1-SG 3Å; T31-C81 VanDerWaalsContact OG1-SG 3.35Å; K33-C81 VanDerWaalsContact CE-SG 3.59Å; F70-C81 HydrophobicContact CB-CB 3.5Å; F70-C81 HydrophobicContact CD1-CB 4.2Å; F70-C81 HydrophobicContact CD2-CB 4.24Å; F70-C81 HydrophobicContact CG-CB 3.72Å; C81-G83 PolarHBondContact O-N 2.79Å; C81-G83 VanDerWaalsContact O-N 3.09Å; C81-E84 HydrophobicContact CB-CB 4.03Å; C81-E84 PolarHBondContact N-OE2 3.48Å; C81-E84 VanDerWaalsContact O-CB 3.27Å; C81-E84 WeakPolarHBondContact O-CB 3.27Å; C81-E84 PolarHBondContact O-N 3.02Å
82P75.1Confident69.3Low81 Ų8172 Ų7253%0.52644%0.437SS..THydrogen-bonded Turntrans-53.2118.7170-25.935.1000111.8V73 E84V73-P82 WeakPolarHBondContact O-CD 3.33Å; P82-E84 VanDerWaalsContact C-N 3.33Å
83G71.2Confident67Low78 Ų7872.3 Ų72.380%0.80444%0.438SS*.THydrogen-bonded Turntrans81.15.2-177.800000115.3C81C81-G83 PolarHBondContact O-N 2.79Å; C81-G83 VanDerWaalsContact O-N 3.09Å
84E74.4Confident65Low21 Ų2171.5 Ų71.510%0.09843%0.428CS..  trans-81.1127.8170.3-177.9178-175.800111K33 F70 P80 C81 P82 Y89K33-E84 WeakPolarHBondContact CD-OE1 3.47Å; K33-E84 WeakPolarHBondContact CE-OE1 3.44Å; K33-E84 WeakPolarHBondContact CE-OE2 3.41Å; K33-E84 IonicContact NZ-OE1 2.76Å; K33-E84 PolarHBondContact NZ-OE1 2.9Å; K33-E84 IonicContact NZ-OE2 2.69Å; K33-E84 PolarHBondContact NZ-OE2 3.49Å; F70-E84 HydrophobicContact CD1-CB 3.78Å; F70-E84 HydrophobicContact CD1-CG 4.39Å; F70-E84 HydrophobicContact CE1-CB 3.51Å; F70-E84 HydrophobicContact CE1-CG 3.72Å; F70-E84 HydrophobicContact CE2-CG 4.26Å; F70-E84 HydrophobicContact CG-CB 4.46Å; F70-E84 HydrophobicContact CZ-CB 3.97Å; F70-E84 HydrophobicContact CZ-CG 3.65Å; P80-E84 WeakPolarHBondContact CA-OE2 3.08Å; P80-E84 HydrophobicContact CB-CB 3.95Å; P80-E84 HydrophobicContact CB-CG 4.09Å; C81-E84 HydrophobicContact CB-CB 4.03Å; C81-E84 PolarHBondContact N-OE2 3.48Å; C81-E84 VanDerWaalsContact O-CB 3.27Å; C81-E84 WeakPolarHBondContact O-CB 3.27Å; C81-E84 PolarHBondContact O-N 3.02Å; P82-E84 VanDerWaalsContact C-N 3.33Å; E84-Y89 HydrophobicContact CG-CE2 4.26Å; E84-Y89 WeakPolarHBondContact OE1-CE2 3.43Å; E84-Y89 PolarHBondContact OE1-OH 2.89Å
85D65.6Low63Low49 Ų4972.4 Ų72.426%0.26243%0.427SS..  trans-115.1123.9170.9176.4-0.3000108.2N87 M88D85-N87 PolarHBondContact O-N 2.68Å; D85-N87 VanDerWaalsContact O-N 3.1Å; D85-N87 VanDerWaalsContact OD1-CB 3.31Å; D85-N87 WeakPolarHBondContact OD1-CB 3.46Å; D85-N87 PolarHBondContact OD1-N 2.74Å; D85-N87 PolarHBondContact OD1-ND2 2.84Å; D85-M88 HydrophobicContact CB-CG 3.92Å; D85-M88 HydrophobicContact CB-SD 4.12Å; D85-M88 PolarHBondContact N-SD 3.46Å; D85-M88 WeakPolarHBondContact O-CB 3.38Å; D85-M88 WeakPolarHBondContact O-CG 3.47Å; D85-M88 PolarHBondContact O-N 3.03Å
86I62.3Low61.1Low85 Ų8571.9 Ų71.944%0.43641%0.408SS..G310 helixtrans-58.2-25.4179.8-163.1165.6000112.2M88 Y89I86-M88 PolarHBondContact O-N 2.84Å; I86-Y89 WeakPolarHBondContact O-CD2 3.39Å; I86-Y89 PolarHBondContact O-N 2.99Å
87N57.3Low59.6Low31 Ų3171 Ų7117%0.16640%0.403CS..G310 helixtrans-70-15.6175.8-60.7-36.8000112.6D85 Y89 R90D85-N87 PolarHBondContact O-N 2.68Å; D85-N87 VanDerWaalsContact O-N 3.1Å; D85-N87 VanDerWaalsContact OD1-CB 3.31Å; D85-N87 WeakPolarHBondContact OD1-CB 3.46Å; D85-N87 PolarHBondContact OD1-N 2.74Å; D85-N87 PolarHBondContact OD1-ND2 2.84Å; N87-Y89 PolarHBondContact O-N 2.96Å; N87-Y89 VanDerWaalsContact O-N 3.08Å; N87-R90 PolarHBondContact O-N 3.37Å
88M60.6Low58.5Low88 Ų8871.2 Ų71.243%0.43339%0.39SS..G310 helixtrans-59.3-20.6174.8-65.7173.371.400112.6F70 D85 I86F70-M88 HydrophobicContact CE1-CE 4.36Å; F70-M88 HydrophobicContact CE1-SD 4.34Å; D85-M88 HydrophobicContact CB-CG 3.92Å; D85-M88 HydrophobicContact CB-SD 4.12Å; D85-M88 PolarHBondContact N-SD 3.46Å; D85-M88 WeakPolarHBondContact O-CB 3.38Å; D85-M88 WeakPolarHBondContact O-CG 3.47Å; D85-M88 PolarHBondContact O-N 3.03Å; I86-M88 PolarHBondContact O-N 2.84Å
89Y62.3Low58Low14 Ų1471 Ų716%0.05536%0.364CS..SBendtrans-99.6-19.6-175.7-46.4-60.6000113.3I35 P41 H68 F70 E84 I86 N87I35-Y89 HydrophobicContact CD1-CD1 3.17Å; I35-Y89 HydrophobicContact CD1-CD2 4.47Å; I35-Y89 HydrophobicContact CD1-CE1 3.44Å; I35-Y89 VanDerWaalsContact CD1-CE1 3.44Å; I35-Y89 HydrophobicContact CD1-CG 3.72Å; I35-Y89 HydrophobicContact CG1-CD1 4Å; I35-Y89 HydrophobicContact CG1-CE1 4.48Å; P41-Y89 HydrophobicContact CB-CD2 3.95Å; P41-Y89 HydrophobicContact CB-CE1 4.26Å; P41-Y89 HydrophobicContact CB-CE2 3.44Å; P41-Y89 VanDerWaalsContact CB-CE2 3.44Å; P41-Y89 HydrophobicContact CG-CD2 3.95Å; P41-Y89 HydrophobicContact CG-CE2 3.6Å; H68-Y89 HydrophobicContact CB-CE1 4.4Å; H68-Y89 AromaticContact CE1-CD1 3.84Å; H68-Y89 AromaticContact CE1-CE1 3.65Å; H68-Y89 AromaticContact CG-CE1 3.77Å; H68-Y89 AromaticContact ND1-CE1 3.54Å; H68-Y89 AromaticContact NE2-CE1 3.98Å; F70-Y89 VanDerWaalsContact CE2-OH 3.3Å; F70-Y89 WeakPolarHBondContact CE2-OH 3.45Å; F70-Y89 WeakPolarHBondContact CZ-OH 2.99Å; E84-Y89 HydrophobicContact CG-CE2 4.26Å; E84-Y89 WeakPolarHBondContact OE1-CE2 3.43Å; E84-Y89 PolarHBondContact OE1-OH 2.89Å; I86-Y89 WeakPolarHBondContact O-CD2 3.39Å; I86-Y89 PolarHBondContact O-N 2.99Å; N87-Y89 PolarHBondContact O-N 2.96Å; N87-Y89 VanDerWaalsContact O-N 3.08Å
90R49.8Very low57.4Low100 Ų10070.4 Ų70.438%0.37736%0.362SS..  trans-76.5141.9-179.1-69-171.3-170.6-178.52.2112.7N87 K94N87-R90 PolarHBondContact O-N 3.37Å; R90-K94 VanDerWaalsContact O-CE 3.22Å; R90-K94 WeakPolarHBondContact O-CE 3.41Å
91R47.9Very low56.8Low156 Ų15669 Ų6959%0.58935%0.347SS*.  trans-99-12.8-170.3-62.7-178.1-175.4-1732.8115.4A93R91-A93 PolarHBondContact O-N 3.46Å
92G38.1Very low56.1Low54 Ų5470.7 Ų70.756%0.55736%0.356SS*.THydrogen-bonded Turntrans-77.4-10-156.500000121.1
93A39.7Very low55.8Low17 Ų1768.5 Ų68.514%0.1434%0.34CS..THydrogen-bonded Turntrans-163.766.9174.700000110.4R91 R95 S322 M457R91-A93 PolarHBondContact O-N 3.46Å; A93-R95 PolarHBondContact O-N 3.3Å; A93-S322 PolarHBondContact O-OG 3.15Å; A93-M457 HydrophobicContact CB-CE 4.42Å
94K42Very low55.9Low67 Ų6769.7 Ų69.729%0.29132%0.324SS..  trans-81.9105.6-174.2-79.7177.9176.2157.70111.9R90R90-K94 VanDerWaalsContact O-CE 3.22Å; R90-K94 WeakPolarHBondContact O-CE 3.41Å
95R42.1Very low55.8Low51 Ų5170.8 Ų70.819%0.19234%0.34CS..  trans-71.3118.9138.4178.5162-162.3-163.723.8107A93 K97 Y323 E352 D353 W356A93-R95 PolarHBondContact O-N 3.3Å; R95-K97 PolarHBondContact O-N 3.4Å; R95-Y323 HydrophobicContact CB-CE2 4.43Å; R95-Y323 PolarHBondContact O-OH 2.85Å; R95-E352 PolarHBondContact NH1-O 2.96Å; R95-E352 IonicContact NH2-OE2 3.77Å; R95-E352 PolarHBondContact NH2-OE2 3.23Å; R95-D353 IonicContact CZ-OD1 3.43Å; R95-D353 IonicContact NH1-OD1 3.1Å; R95-D353 PolarHBondContact NH1-OD1 2.76Å; R95-W356 HydrophobicContact CB-CH2 4.34Å; R95-W356 HydrophobicContact CB-CZ3 4.19Å; R95-W356 HydrophobicContact CG-CH2 4.14Å; R95-W356 HydrophobicContact CG-CZ3 4.2Å; R95-W356 VanDerWaalsContact CZ-CE3 3.48Å; R95-W356 VanDerWaalsContact CZ-CH2 3.45Å; R95-W356 VanDerWaalsContact NE-CH2 3.27Å; R95-W356 VanDerWaalsContact NE-CZ2 3.28Å; R95-W356 VanDerWaalsContact NH2-NE1 3.11Å
96W41.1Very low56.4Low94 Ų9468.4 Ų68.436%0.35633%0.328SS..  trans-69.690.6-175.5-63.477.2000109.7K98W96-K98 PolarHBondContact O-N 2.83Å
97K43.4Very low57.2Low97 Ų9768.2 Ų68.242%0.42233%0.325SS..  trans-45.8127.1160.5-72.2-174.8179.6177.40107.3R95 K99R95-K97 PolarHBondContact O-N 3.4Å; K97-K99 PolarHBondContact O-N 3.5Å
98K51Low58.3Low139 Ų13966.8 Ų66.860%0.60432%0.318SS*.  trans-49.296.9-172.2-74.3166.3-177.4146.40110.8W96 F100W96-K98 PolarHBondContact O-N 2.83Å; K98-F100 HydrophobicContact CB-CE1 4.44Å; K98-F100 HydrophobicContact CB-CE2 3.97Å; K98-F100 HydrophobicContact CB-CZ 3.81Å; K98-F100 HydrophobicContact CD-CZ 4.44Å; K98-F100 VanDerWaalsContact O-CD2 3.27Å; K98-F100 WeakPolarHBondContact O-CD2 3.43Å; K98-F100 WeakPolarHBondContact O-CE2 3.12Å; K98-F100 PolarHBondContact O-N 2.95Å
99K56Low58.8Low82 Ų8262.9 Ų62.936%0.35730%0.299SS..  trans-72.7121173.1-74.9-174.6177.4-176.10108.5K97 Y101K97-K99 PolarHBondContact O-N 3.5Å; K99-Y101 HydrophobicContact CB-CE2 3.95Å
100F65.2Low59.3Low94 Ų9462.9 Ų62.941%0.41230%0.302SS..EExtended strand (participates in β ladder)trans-101.2134.8173.1-57.7-76.9000110.2K98 F108 A109 I137K98-F100 HydrophobicContact CB-CE1 4.44Å; K98-F100 HydrophobicContact CB-CE2 3.97Å; K98-F100 HydrophobicContact CB-CZ 3.81Å; K98-F100 HydrophobicContact CD-CZ 4.44Å; K98-F100 VanDerWaalsContact O-CD2 3.27Å; K98-F100 WeakPolarHBondContact O-CD2 3.43Å; K98-F100 WeakPolarHBondContact O-CE2 3.12Å; K98-F100 PolarHBondContact O-N 2.95Å; F100-F108 CarbonylContact C-O 3.58Å; F100-F108 WeakPolarHBondContact CA-O 3.35Å; F100-A109 HydrophobicContact CD1-CB 4.35Å; F100-A109 HydrophobicContact CE1-CB 4.37Å; F100-I137 HydrophobicContact CD1-CD1 4.2Å; F100-I137 HydrophobicContact CD1-CG2 4.39Å; F100-I137 HydrophobicContact CE1-CD1 3.9Å; F100-I137 HydrophobicContact CE1-CG2 4.02Å
101Y66.2Low60.1Low46 Ų4663.5 Ų63.518%0.1830%0.304CS..EExtended strand (participates in β ladder)trans-113.4118.3177.2-62.7-97.2000107.6K99 F108 A110 F134K99-Y101 HydrophobicContact CB-CE2 3.95Å; Y101-F108 PolarHBondContact N-O 3.04Å; Y101-F108 WeakPolarHBondContact O-CA 3.22Å; Y101-F108 WeakPolarHBondContact O-CB 3.33Å; Y101-F108 PolarHBondContact O-N 3.47Å; Y101-A110 HydrophobicContact CD2-CB 4.22Å; Y101-A110 HydrophobicContact CE2-CB 3.63Å; Y101-F134 HydrophobicContact CD1-CE1 4.05Å; Y101-F134 HydrophobicContact CD1-CZ 4.15Å; Y101-F134 HydrophobicContact CD2-CD1 4Å; Y101-F134 AromaticContact CD2-CE1 3.43Å; Y101-F134 HydrophobicContact CD2-CE1 3.43Å; Y101-F134 VanDerWaalsContact CD2-CE1 3.43Å; Y101-F134 HydrophobicContact CD2-CZ 4.32Å; Y101-F134 HydrophobicContact CE1-CE1 4.25Å; Y101-F134 HydrophobicContact CE1-CZ 4.34Å; Y101-F134 AromaticContact CE2-CE1 3.68Å; Y101-F134 HydrophobicContact CE2-CE1 3.68Å; Y101-F134 HydrophobicContact CG-CD1 4.33Å; Y101-F134 AromaticContact CG-CE1 3.64Å; Y101-F134 HydrophobicContact CG-CE1 3.64Å; Y101-F134 HydrophobicContact CG-CZ 4.13Å
102L66.4Low60.9Low40 Ų4060 Ų6021%0.20929%0.291CS..EExtended strand (participates in β ladder)trans-92.9124.2177.6-165.179.9000110M1 L21 H106 Q107M1-L102 HydrophobicContact SD-CB 4.48Å; L21-L102 HydrophobicContact CB-CD2 3.95Å; L21-L102 HydrophobicContact CD2-CB 4.24Å; L21-L102 HydrophobicContact CD2-CD2 3.79Å; L21-L102 HydrophobicContact CD2-CG 4.17Å; L21-L102 WeakPolarHBondContact O-CD2 3.23Å; L102-H106 CarbonylContact C-O 3.58Å; L102-H106 VanDerWaalsContact CA-O 3.31Å; L102-H106 WeakPolarHBondContact CA-O 3.37Å; L102-H106 WeakPolarHBondContact CD1-O 3.03Å; L102-Q107 HydrophobicContact CD1-CB 4.33Å; L102-Q107 HydrophobicContact CD1-CG 3.4Å
103L68.5Low62.3Low36 Ų3659.1 Ų59.119%0.18827%0.272CS..EExtended strand (participates in β ladder)trans-141.5113.7-176.8-171.394.6000109.5G105 H106 F108 Q148 V151L103-G105 VanDerWaalsContact C-N 3.27Å; L103-G105 PolarHBondContact O-N 3.1Å; L103-H106 PolarHBondContact N-O 2.84Å; L103-H106 VanDerWaalsContact O-CB 3.26Å; L103-H106 WeakPolarHBondContact O-CB 3.25Å; L103-H106 PolarHBondContact O-CD2 2.87Å; L103-H106 PolarHBondContact O-N 3.05Å; L103-F108 HydrophobicContact CB-CD2 3.83Å; L103-F108 HydrophobicContact CB-CE2 3.84Å; L103-F108 HydrophobicContact CD2-CD2 4.36Å; L103-F108 HydrophobicContact CD2-CE2 3.78Å; L103-F108 HydrophobicContact CG-CE2 4.47Å; L103-Q148 HydrophobicContact CD1-CB 4.4Å; L103-Q148 HydrophobicContact CD2-CB 4.08Å; L103-Q148 WeakPolarHBondContact CD2-O 3.43Å; L103-V151 HydrophobicContact CD2-CB 3.65Å; L103-V151 HydrophobicContact CD2-CG1 4.18Å; L103-V151 HydrophobicContact CD2-CG2 3.55Å
104H73.7Confident63.3Low103 Ų10364 Ų6448%0.47730%0.295SS..THydrogen-bonded Turntrans4746.4-175.9-64.2-73.7000113.4H106 V151 H153 K154 C155H104-H106 PolarHBondContact O-CD2 3.33Å; H104-H106 PolarHBondContact O-N 3.21Å; H104-V151 HydrophobicContact CB-CG1 4.32Å; H104-V151 PolarHBondContact CD2-O 3.43Å; H104-V151 PolarHBondContact NE2-O 3.42Å; H104-V151 VanDerWaalsContact NE2-O 3.13Å; H104-H153 WeakPolarHBondContact CB-O 3.33Å; H104-K154 VanDerWaalsContact O-CA 3.28Å; H104-K154 WeakPolarHBondContact O-CA 3.4Å; H104-C155 PolarHBondContact O-N 2.56Å
105G72.1Confident64.2Low43 Ų4369.8 Ų69.844%0.44332%0.315SS..THydrogen-bonded Turntrans77.8-5-178.600000115.4L103 C155L103-G105 VanDerWaalsContact C-N 3.27Å; L103-G105 PolarHBondContact O-N 3.1Å; G105-C155 WeakPolarHBondContact O-CB 3.22Å
106H77.9Confident65.6Low0 Ų073.9 Ų73.90%034%0.341CS..EExtended strand (participates in β ladder)trans-84.4127.3171.3-64.8-98.4000110.7L102 L103 H104 F108 C136 C139 H153 C155L102-H106 CarbonylContact C-O 3.58Å; L102-H106 VanDerWaalsContact CA-O 3.31Å; L102-H106 WeakPolarHBondContact CA-O 3.37Å; L102-H106 WeakPolarHBondContact CD1-O 3.03Å; L103-H106 PolarHBondContact N-O 2.84Å; L103-H106 VanDerWaalsContact O-CB 3.26Å; L103-H106 WeakPolarHBondContact O-CB 3.25Å; L103-H106 PolarHBondContact O-CD2 2.87Å; L103-H106 PolarHBondContact O-N 3.05Å; H104-H106 PolarHBondContact O-CD2 3.33Å; H104-H106 PolarHBondContact O-N 3.21Å; H106-F108 HydrophobicContact CB-CD2 3.66Å; H106-F108 HydrophobicContact CB-CE2 3.21Å; H106-F108 HydrophobicContact CB-CG 4.48Å; H106-F108 HydrophobicContact CB-CZ 3.72Å; H106-F108 AromaticContact CG-CE2 3.84Å; H106-F108 AromaticContact CG-CZ 3.95Å; H106-F108 PolarHBondContact O-N 2.8Å; H106-C136 HydrophobicContact CB-CB 4.17Å; H106-C136 PolarHBondContact ND1-SG 3.38Å; H106-C139 PolarHBondContact CE1-SG 3.46Å; H106-C139 PolarHBondContact ND1-SG 3.05Å; H106-H153 AromaticContact CE1-NE2 3.71Å; H106-H153 AromaticContact NE2-CD2 3.7Å; H106-H153 AromaticContact NE2-NE2 3.52Å; H106-H153 PolarHBondContact NE2-O 3.42Å; H106-C155 HydrophobicContact CB-CB 4.37Å; H106-C155 PolarHBondContact NE2-N 3.49Å
107Q79.6Confident67.5Low81 Ų8169.7 Ų69.738%0.37933%0.327SS..EExtended strand (participates in β ladder)trans-87.4100.2167.7-73.4174.3-25.300109.3L102 C136 I137 N138L102-Q107 HydrophobicContact CD1-CB 4.33Å; L102-Q107 HydrophobicContact CD1-CG 3.4Å; Q107-C136 CarbonylContact O-C 3.52Å; Q107-C136 VanDerWaalsContact O-CA 3.22Å; Q107-C136 WeakPolarHBondContact O-CA 3.46Å; Q107-I137 HydrophobicContact CB-CD1 3.99Å; Q107-I137 HydrophobicContact CB-CG1 3.62Å; Q107-I137 WeakPolarHBondContact O-CG1 3.41Å; Q107-I137 PolarHBondContact O-N 2.91Å; Q107-N138 PolarHBondContact OE1-ND2 3.17Å
108F80.8Confident69.4Low1 Ų168.7 Ų68.70%0.00433%0.328CS..EExtended strand (participates in β ladder)trans-90.6124.4179.8-74-76.5000111.8F100 Y101 L103 H106 F134 K135 C136 L141 L143F100-F108 CarbonylContact C-O 3.58Å; F100-F108 WeakPolarHBondContact CA-O 3.35Å; Y101-F108 PolarHBondContact N-O 3.04Å; Y101-F108 WeakPolarHBondContact O-CA 3.22Å; Y101-F108 WeakPolarHBondContact O-CB 3.33Å; Y101-F108 PolarHBondContact O-N 3.47Å; L103-F108 HydrophobicContact CB-CD2 3.83Å; L103-F108 HydrophobicContact CB-CE2 3.84Å; L103-F108 HydrophobicContact CD2-CD2 4.36Å; L103-F108 HydrophobicContact CD2-CE2 3.78Å; L103-F108 HydrophobicContact CG-CE2 4.47Å; H106-F108 HydrophobicContact CB-CD2 3.66Å; H106-F108 HydrophobicContact CB-CE2 3.21Å; H106-F108 HydrophobicContact CB-CG 4.48Å; H106-F108 HydrophobicContact CB-CZ 3.72Å; H106-F108 AromaticContact CG-CE2 3.84Å; H106-F108 AromaticContact CG-CZ 3.95Å; H106-F108 PolarHBondContact O-N 2.8Å; F108-F134 HydrophobicContact CB-CB 3.77Å; F108-F134 HydrophobicContact CB-CD1 4.09Å; F108-F134 HydrophobicContact CB-CG 4.12Å; F108-F134 HydrophobicContact CD1-CB 3.42Å; F108-F134 VanDerWaalsContact CD1-CB 3.42Å; F108-F134 HydrophobicContact CE1-CB 4.12Å; F108-F134 HydrophobicContact CG-CB 3.73Å; F108-F134 HydrophobicContact CG-CG 4.39Å; F108-K135 CarbonylContact C-O 3.43Å; F108-K135 WeakPolarHBondContact CA-O 3.34Å; F108-K135 VanDerWaalsContact CD1-C 3.44Å; F108-C136 HydrophobicContact CD1-CB 3.86Å; F108-C136 HydrophobicContact CE1-CB 3.71Å; F108-C136 HydrophobicContact CZ-CB 4.23Å; F108-L141 HydrophobicContact CE1-CB 4.23Å; F108-L141 HydrophobicContact CE1-CD2 4.46Å; F108-L141 HydrophobicContact CE1-CG 4.33Å; F108-L141 WeakPolarHBondContact CE1-O 3.47Å; F108-L141 HydrophobicContact CZ-CB 4.43Å; F108-L141 HydrophobicContact CZ-CD2 3.92Å; F108-L141 HydrophobicContact CZ-CG 4.28Å; F108-L143 HydrophobicContact CE1-CD1 3.82Å; F108-L143 HydrophobicContact CE1-CG 4.4Å; F108-L143 HydrophobicContact CE2-CD1 4.18Å; F108-L143 HydrophobicContact CZ-CD1 3.43Å; F108-L143 VanDerWaalsContact CZ-CD1 3.43Å; F108-L143 HydrophobicContact CZ-CG 4.41Å
109A72Confident71.1Confident5 Ų562 Ų624%0.04130%0.3CS..EExtended strand (participates in β ladder)trans-88128.5161.700000108.5F100 R111 K135 I137F100-A109 HydrophobicContact CD1-CB 4.35Å; F100-A109 HydrophobicContact CE1-CB 4.37Å; A109-R111 HydrophobicContact CB-CG 4.25Å; A109-R111 PolarHBondContact O-N 3.17Å; A109-K135 PolarHBondContact N-O 2.95Å; A109-K135 PolarHBondContact O-N 2.92Å; A109-I137 HydrophobicContact CB-CG2 3.9Å
110A72.5Confident72.5Confident14 Ų1458.9 Ų58.912%0.11629%0.289CS..EExtended strand (participates in β ladder)trans-69.4126.4168.500000108.8Y101 Q131 G133 F134Y101-A110 HydrophobicContact CD2-CB 4.22Å; Y101-A110 HydrophobicContact CE2-CB 3.63Å; A110-Q131 HydrophobicContact CB-CB 3.79Å; A110-Q131 HydrophobicContact CB-CG 4.3Å; A110-G133 WeakPolarHBondContact CA-O 3.43Å; A110-F134 HydrophobicContact CB-CD1 4.05Å; A110-F134 HydrophobicContact CB-CE1 3.92Å
111R65.9Low73.4Confident113 Ų11355.9 Ų55.943%0.42628%0.275SS..EExtended strand (participates in β ladder)trans-138.8151.4-175.1-65.9-169.4177.9-148.7-0.9110.8A109 F113 Q131 G133A109-R111 HydrophobicContact CB-CG 4.25Å; A109-R111 PolarHBondContact O-N 3.17Å; R111-F113 HydrophobicContact CB-CE1 4.28Å; R111-F113 HydrophobicContact CB-CE2 4.06Å; R111-F113 HydrophobicContact CB-CZ 3.88Å; R111-F113 WeakPolarHBondContact O-CD2 3.49Å; R111-F113 WeakPolarHBondContact O-CE2 3.49Å; R111-Q131 CarbonylContact O-C 3.58Å; R111-G133 PolarHBondContact N-O 2.92Å
112R65.8Low74.3Confident82 Ų8255.4 Ų55.431%0.30928%0.278SS..PPolyproline II helixtrans-74.4132.8153.7-87.3-176.1-173.2-12310.4107.7G130 L483R112-G130 WeakPolarHBondContact CG-O 3.27Å; R112-G130 VanDerWaalsContact CZ-N 3.27Å; R112-L483 PolarHBondContact NH1-O 3.32Å; R112-L483 PolarHBondContact NH2-O 3.48Å
113F67.2Low75.1Confident37 Ų3759 Ų5916%0.16229%0.292CS..PPolyproline II helixtrans-103.6151.6174.3-64.6-83000110.3R111 A117 I126 G133 K135 L142R111-F113 HydrophobicContact CB-CE1 4.28Å; R111-F113 HydrophobicContact CB-CE2 4.06Å; R111-F113 HydrophobicContact CB-CZ 3.88Å; R111-F113 WeakPolarHBondContact O-CD2 3.49Å; R111-F113 WeakPolarHBondContact O-CE2 3.49Å; F113-A117 HydrophobicContact CB-CB 3.32Å; F113-A117 HydrophobicContact CD1-CB 3.94Å; F113-A117 HydrophobicContact CG-CB 3.72Å; F113-I126 HydrophobicContact CD2-CB 4.37Å; F113-I126 HydrophobicContact CD2-CD1 4.47Å; F113-I126 HydrophobicContact CD2-CG2 3.67Å; F113-I126 HydrophobicContact CE2-CG2 4.32Å; F113-I126 HydrophobicContact CG-CG2 4.45Å; F113-G133 VanDerWaalsContact CE2-C 3.41Å; F113-G133 WeakPolarHBondContact CE2-O 3.49Å; F113-K135 HydrophobicContact CE1-CB 3.79Å; F113-K135 HydrophobicContact CE1-CD 4.32Å; F113-K135 HydrophobicContact CZ-CB 3.67Å; F113-L142 HydrophobicContact CD1-CD1 4.46Å; F113-L142 HydrophobicContact CD1-CD2 4.17Å; F113-L142 HydrophobicContact CE1-CD1 4.42Å; F113-L142 HydrophobicContact CE1-CD2 3.35Å; F113-L142 HydrophobicContact CE1-CG 4.44Å; F113-L142 HydrophobicContact CZ-CD2 3.82Å
114N60.9Low75.7Confident118 Ų11862 Ų6263%0.63131%0.305SS*.PPolyproline II helixtrans-64.4172.4170.369.916.2000110.8N116 A117N114-N116 PolarHBondContact O-N 2.71Å; N114-N116 PolarHBondContact OD1-N 2.87Å; N114-A117 PolarHBondContact O-N 2.65Å
115R60.8Low76Confident189 Ų18962.6 Ų62.671%0.71330%0.303SS*.THydrogen-bonded Turntrans-58.5-12.1-174.9-66-176.1-177.8-159.61.4114.8R125R115-R125 PolarHBondContact O-NE 3.43Å; R115-R125 PolarHBondContact O-NH2 2.61Å
116N71.5Confident76.2Confident137 Ų13760.6 Ų60.673%0.73328%0.282SS*.THydrogen-bonded Turntrans-109.84.4-172.8-64.4-15.5000114.5N114N114-N116 PolarHBondContact O-N 2.71Å; N114-N116 PolarHBondContact OD1-N 2.87Å
117A80.2Confident75.6Confident6 Ų669.4 Ų69.45%0.0532%0.316CS..  trans-74133.717900000112.7F113 N114 R125 I126 L142F113-A117 HydrophobicContact CB-CB 3.32Å; F113-A117 HydrophobicContact CD1-CB 3.94Å; F113-A117 HydrophobicContact CG-CB 3.72Å; N114-A117 PolarHBondContact O-N 2.65Å; A117-R125 CarbonylContact O-C 3.59Å; A117-R125 WeakPolarHBondContact O-CA 3.42Å; A117-I126 HydrophobicContact CB-CB 4.28Å; A117-I126 PolarHBondContact O-N 2.98Å; A117-L142 HydrophobicContact CB-CD1 4.15Å
118V83.5Confident74.6Confident76 Ų7667.3 Ų67.346%0.46132%0.315SS..BIsolated β-bridgetrans-119.8133.9-178.8-179.80000109.7A120 K123V118-A120 PolarHBondContact O-N 3.13Å; V118-K123 WeakPolarHBondContact CG1-O 3.33Å
119C87Confident73Confident0 Ų068.9 Ų68.90%032%0.324CS..  trans-68.8127.7176.7177.40000110.7Y121 K123 E124 I126 H144 C147C119-Y121 PolarHBondContact O-N 2.64Å; C119-Y121 PolarHBondContact SG-N 2.85Å; C119-K123 VanDerWaalsContact O-CA 3.23Å; C119-K123 WeakPolarHBondContact O-CA 2.92Å; C119-K123 PolarHBondContact O-N 3.19Å; C119-E124 WeakPolarHBondContact CB-O 3.23Å; C119-E124 PolarHBondContact N-O 3.27Å; C119-I126 HydrophobicContact CB-CD1 4.24Å; C119-I126 HydrophobicContact CB-CG1 3.94Å; C119-H144 VanDerWaalsContact CB-CE1 3.4Å; C119-H144 WeakPolarHBondContact CB-CE1 3.47Å; C119-H144 WeakPolarHBondContact CB-ND1 3.41Å; C119-H144 PolarHBondContact SG-N 3.28Å; C119-H144 VanDerWaalsContact SG-N 3.38Å; C119-H144 PolarHBondContact SG-ND1 3.07Å; C119-H144 VanDerWaalsContact SG-ND1 3.38Å; C119-C147 VanDerWaalsContact SG-SG 3.62Å
120A85.8Confident72.2Confident16 Ų1669.2 Ų69.213%0.13233%0.327CS..THydrogen-bonded Turntrans-63.2-26.7178.900000112.7V118 K123 L141 L142 L143 F159V118-A120 PolarHBondContact O-N 3.13Å; A120-K123 WeakPolarHBondContact O-CE 3.18Å; A120-K123 PolarHBondContact O-NZ 2.9Å; A120-L141 HydrophobicContact CB-CD1 3.34Å; A120-L141 HydrophobicContact CB-CG 4.44Å; A120-L142 VanDerWaalsContact CB-O 3.28Å; A120-L142 WeakPolarHBondContact CB-O 3.43Å; A120-L142 PolarHBondContact N-O 2.85Å; A120-L143 HydrophobicContact CB-CD2 4.15Å; A120-F159 HydrophobicContact CB-CE2 4.01Å; A120-F159 HydrophobicContact CB-CZ 4.16Å; A120-F159 WeakPolarHBondContact O-CZ 3.47Å
121Y83.7Confident71.6Confident31 Ų3171 Ų7112%0.12233%0.334CS..THydrogen-bonded Turntrans-85.3-69.9-178.9-171.7-96.3000112.7C119 K123 C147 G150 P162 M167C119-Y121 PolarHBondContact O-N 2.64Å; C119-Y121 PolarHBondContact SG-N 2.85Å; Y121-K123 VanDerWaalsContact C-N 3.34Å; Y121-K123 PolarHBondContact O-N 3.41Å; Y121-C147 HydrophobicContact CD1-CB 3.98Å; Y121-C147 HydrophobicContact CG-CB 4.17Å; Y121-G150 WeakPolarHBondContact CE2-O 3.31Å; Y121-P162 HydrophobicContact CD2-CB 4.44Å; Y121-P162 HydrophobicContact CD2-CG 3.42Å; Y121-P162 VanDerWaalsContact CD2-CG 3.42Å; Y121-P162 HydrophobicContact CE2-CB 3.83Å; Y121-P162 HydrophobicContact CE2-CG 3.26Å; Y121-P162 HydrophobicContact CG-CG 4.4Å; Y121-M167 HydrophobicContact CE1-CG 4.46Å
122C84.2Confident71.7Confident36 Ų3667.1 Ų67.124%0.24332%0.32CS..THydrogen-bonded Turntrans-82.8-8-175.170.20000114.3E124 H144C122-E124 HydrophobicContact CB-CG 4.43Å; C122-E124 PolarHBondContact O-N 3.09Å; C122-E124 PolarHBondContact SG-N 2.9Å; C122-E124 PolarHBondContact SG-OE2 3.22Å; C122-E124 VanDerWaalsContact SG-OE2 3.41Å; C122-H144 PolarHBondContact SG-CE1 2.79Å; C122-H144 PolarHBondContact SG-ND1 3.31Å
123K83.1Confident72.1Confident114 Ų11463.2 Ų63.250%0.49631%0.305SS..  trans62.26-176.3-52.4-53.4-171.5-168.10115.5V118 C119 A120 Y121V118-K123 WeakPolarHBondContact CG1-O 3.33Å; C119-K123 VanDerWaalsContact O-CA 3.23Å; C119-K123 WeakPolarHBondContact O-CA 2.92Å; C119-K123 PolarHBondContact O-N 3.19Å; A120-K123 WeakPolarHBondContact O-CE 3.18Å; A120-K123 PolarHBondContact O-NZ 2.9Å; Y121-K123 VanDerWaalsContact C-N 3.34Å; Y121-K123 PolarHBondContact O-N 3.41Å
124E82.6Confident72.8Confident100 Ų10061.6 Ų61.647%0.46730%0.298SS..  trans-83.1157.6171.9-57.2169.9144.500110.3C119 C122 H144 R146C119-E124 WeakPolarHBondContact CB-O 3.23Å; C119-E124 PolarHBondContact N-O 3.27Å; C122-E124 HydrophobicContact CB-CG 4.43Å; C122-E124 PolarHBondContact O-N 3.09Å; C122-E124 PolarHBondContact SG-N 2.9Å; C122-E124 PolarHBondContact SG-OE2 3.22Å; C122-E124 VanDerWaalsContact SG-OE2 3.41Å; E124-H144 PolarHBondContact O-CE1 2.82Å; E124-R146 IonicContact OE2-CZ 2.71Å; E124-R146 IonicContact OE2-NH2 2.65Å; E124-R146 PolarHBondContact OE2-NH2 2.81Å
125R79.9Confident73.9Confident116 Ų11658.5 Ų58.544%0.43828%0.279SS..BIsolated β-bridgetrans-62.6138176.7-177179.1169.3173.2-4.9110.9R115 A117 W127 H144R115-R125 PolarHBondContact O-NE 3.43Å; R115-R125 PolarHBondContact O-NH2 2.61Å; A117-R125 CarbonylContact O-C 3.59Å; A117-R125 WeakPolarHBondContact O-CA 3.42Å; R125-W127 HydrophobicContact CG-CB 4.24Å; R125-W127 HydrophobicContact CG-CG 4.3Å; R125-W127 VanDerWaalsContact O-CD1 3.28Å; R125-W127 PolarHBondContact O-N 3.45Å; R125-H144 PolarHBondContact O-CE1 3.31Å; R125-H144 PolarHBondContact O-NE2 3.48Å
126I75.1Confident75Confident1 Ų149.5 Ų49.51%0.00525%0.245CC..  trans-87.4105.1170.7-52.7173.9000107.4F113 A117 C119 Q132 L142 H144F113-I126 HydrophobicContact CD2-CB 4.37Å; F113-I126 HydrophobicContact CD2-CD1 4.47Å; F113-I126 HydrophobicContact CD2-CG2 3.67Å; F113-I126 HydrophobicContact CE2-CG2 4.32Å; F113-I126 HydrophobicContact CG-CG2 4.45Å; A117-I126 HydrophobicContact CB-CB 4.28Å; A117-I126 PolarHBondContact O-N 2.98Å; C119-I126 HydrophobicContact CB-CD1 4.24Å; C119-I126 HydrophobicContact CB-CG1 3.94Å; I126-Q132 HydrophobicContact CG2-CB 3.92Å; I126-L142 HydrophobicContact CD1-CB 3.98Å; I126-H144 WeakPolarHBondContact CA-NE2 3.39Å
127W66.5Low75.4Confident185 Ų18546.1 Ų46.170%0.70123%0.226SC*.  trans-153161.3-178.670.3-81.3000111.2R125 Q132R125-W127 HydrophobicContact CG-CB 4.24Å; R125-W127 HydrophobicContact CG-CG 4.3Å; R125-W127 VanDerWaalsContact O-CD1 3.28Å; R125-W127 PolarHBondContact O-N 3.45Å; W127-Q132 PolarHBondContact O-OE1 3.09Å
128G56.7Low75.3Confident36 Ų3650.2 Ų50.237%0.37125%0.248SC..SBendtrans142.5-161.7-171.600000112.9Q132G128-Q132 VanDerWaalsContact O-CD 3.29Å; G128-Q132 PolarHBondContact O-NE2 3.38Å
129L47.4Very low75.3Confident35 Ų3549.3 Ų49.318%0.18324%0.244CC..SBendtrans-103.1157.6167.5-53170.8000109.5Q132 L483 F529 Q530 L533L129-Q132 VanDerWaalsContact N-NE2 3.15Å; L129-Q132 WeakPolarHBondContact O-CG 3.45Å; L129-Q132 PolarHBondContact O-NE2 2.84Å; L129-L483 HydrophobicContact CD2-CB 4.42Å; L129-L483 WeakPolarHBondContact CD2-O 3.26Å; L129-F529 HydrophobicContact CD1-CB 3.74Å; L129-Q530 HydrophobicContact CD1-CG 4.23Å; L129-L533 HydrophobicContact CD1-CD1 3.41Å; L129-L533 VanDerWaalsContact CD1-CD1 3.41Å; L129-L533 HydrophobicContact CD1-CG 4.32Å; L129-L533 HydrophobicContact CD2-CD1 3.63Å; L129-L533 HydrophobicContact CG-CD1 4.1Å
130G56.8Low75.2Confident11 Ų1157.8 Ų57.811%0.11328%0.276CS..SBendtrans73.9-169.5-179.200000115.6R112 Q132R112-G130 WeakPolarHBondContact CG-O 3.27Å; R112-G130 VanDerWaalsContact CZ-N 3.27Å; G130-Q132 VanDerWaalsContact C-N 3.31Å; G130-Q132 PolarHBondContact O-N 2.74Å; G130-Q132 PolarHBondContact O-NE2 2.82Å
131Q59.4Low75.2Confident53 Ų5358 Ų5825%0.24828%0.275CS..SBendtrans-80.169.3-179.2-60.3172.5-9.600111.4A110 R111 G133A110-Q131 HydrophobicContact CB-CB 3.79Å; A110-Q131 HydrophobicContact CB-CG 4.3Å; R111-Q131 CarbonylContact O-C 3.58Å; Q131-G133 PolarHBondContact O-N 2.98Å
132Q66.8Low75.4Confident31 Ų3158.5 Ų58.515%0.14528%0.279CS..  trans-63.4-15.9-168.1-68.2123.148.300116.5I126 W127 G128 L129 G130 R145I126-Q132 HydrophobicContact CG2-CB 3.92Å; W127-Q132 PolarHBondContact O-OE1 3.09Å; G128-Q132 VanDerWaalsContact O-CD 3.29Å; G128-Q132 PolarHBondContact O-NE2 3.38Å; L129-Q132 VanDerWaalsContact N-NE2 3.15Å; L129-Q132 WeakPolarHBondContact O-CG 3.45Å; L129-Q132 PolarHBondContact O-NE2 2.84Å; G130-Q132 VanDerWaalsContact C-N 3.31Å; G130-Q132 PolarHBondContact O-N 2.74Å; G130-Q132 PolarHBondContact O-NE2 2.82Å; Q132-R145 PolarHBondContact O-N 3.09Å; Q132-R145 VanDerWaalsContact O-N 3.15Å
133G74.2Confident75.5Confident0 Ų056.8 Ų56.80%027%0.268CS..EExtended strand (participates in β ladder)trans-143.8172.6-178.200000113.2A110 R111 F113 Q131 L143A110-G133 WeakPolarHBondContact CA-O 3.43Å; R111-G133 PolarHBondContact N-O 2.92Å; F113-G133 VanDerWaalsContact CE2-C 3.41Å; F113-G133 WeakPolarHBondContact CE2-O 3.49Å; Q131-G133 PolarHBondContact O-N 2.98Å; G133-L143 CarbonylContact C-O 3.58Å; G133-L143 WeakPolarHBondContact CA-O 3.34Å
134F82.9Confident75.3Confident2 Ų252.1 Ų52.11%0.00925%0.247CC..EExtended strand (participates in β ladder)trans-111.1128.9179.6-70.2-50.4000108.9Y101 F108 A110 L142 L143 R145 Q148Y101-F134 HydrophobicContact CD1-CE1 4.05Å; Y101-F134 HydrophobicContact CD1-CZ 4.15Å; Y101-F134 HydrophobicContact CD2-CD1 4Å; Y101-F134 AromaticContact CD2-CE1 3.43Å; Y101-F134 HydrophobicContact CD2-CE1 3.43Å; Y101-F134 VanDerWaalsContact CD2-CE1 3.43Å; Y101-F134 HydrophobicContact CD2-CZ 4.32Å; Y101-F134 HydrophobicContact CE1-CE1 4.25Å; Y101-F134 HydrophobicContact CE1-CZ 4.34Å; Y101-F134 AromaticContact CE2-CE1 3.68Å; Y101-F134 HydrophobicContact CE2-CE1 3.68Å; Y101-F134 HydrophobicContact CG-CD1 4.33Å; Y101-F134 AromaticContact CG-CE1 3.64Å; Y101-F134 HydrophobicContact CG-CE1 3.64Å; Y101-F134 HydrophobicContact CG-CZ 4.13Å; F108-F134 HydrophobicContact CB-CB 3.77Å; F108-F134 HydrophobicContact CB-CD1 4.09Å; F108-F134 HydrophobicContact CB-CG 4.12Å; F108-F134 HydrophobicContact CD1-CB 3.42Å; F108-F134 VanDerWaalsContact CD1-CB 3.42Å; F108-F134 HydrophobicContact CE1-CB 4.12Å; F108-F134 HydrophobicContact CG-CB 3.73Å; F108-F134 HydrophobicContact CG-CG 4.39Å; A110-F134 HydrophobicContact CB-CD1 4.05Å; A110-F134 HydrophobicContact CB-CE1 3.92Å; F134-L142 WeakPolarHBondContact O-CA 3.25Å; F134-L143 PolarHBondContact N-O 3.41Å; F134-L143 PolarHBondContact O-N 3.48Å; F134-R145 HydrophobicContact CE2-CB 4.06Å; F134-R145 HydrophobicContact CE2-CG 3.72Å; F134-R145 HydrophobicContact CZ-CB 4.47Å; F134-R145 HydrophobicContact CZ-CG 3.81Å; F134-Q148 HydrophobicContact CD2-CB 4.26Å; F134-Q148 HydrophobicContact CE2-CB 4.13Å
135K83.6Confident75Confident54 Ų5453.7 Ų53.724%0.23525%0.249CC..EExtended strand (participates in β ladder)trans-111.6119167.5178.7171.9-178.6-177.30109.3F108 A109 F113 I137 L141 L142F108-K135 CarbonylContact C-O 3.43Å; F108-K135 WeakPolarHBondContact CA-O 3.34Å; F108-K135 VanDerWaalsContact CD1-C 3.44Å; A109-K135 PolarHBondContact N-O 2.95Å; A109-K135 PolarHBondContact O-N 2.92Å; F113-K135 HydrophobicContact CE1-CB 3.79Å; F113-K135 HydrophobicContact CE1-CD 4.32Å; F113-K135 HydrophobicContact CZ-CB 3.67Å; K135-I137 PolarHBondContact O-N 3.38Å; K135-L141 CarbonylContact C-O 3.54Å; K135-L141 WeakPolarHBondContact CA-O 3.19Å; K135-L142 HydrophobicContact CB-CD2 3.65Å; K135-L142 HydrophobicContact CD-CD2 4.04Å; K135-L142 HydrophobicContact CG-CD2 3.65Å
136C84.2Confident74.9Confident0 Ų056.5 Ų56.50%026%0.26CS..EExtended strand (participates in β ladder)trans-63.8124.2172.1-177.70000108.4H106 Q107 F108 N138 C139 R140 L141 C155H106-C136 HydrophobicContact CB-CB 4.17Å; H106-C136 PolarHBondContact ND1-SG 3.38Å; Q107-C136 CarbonylContact O-C 3.52Å; Q107-C136 VanDerWaalsContact O-CA 3.22Å; Q107-C136 WeakPolarHBondContact O-CA 3.46Å; F108-C136 HydrophobicContact CD1-CB 3.86Å; F108-C136 HydrophobicContact CE1-CB 3.71Å; F108-C136 HydrophobicContact CZ-CB 4.23Å; C136-N138 PolarHBondContact O-N 3.46Å; C136-C139 VanDerWaalsContact SG-SG 3.61Å; C136-R140 WeakPolarHBondContact O-CA 3.09Å; C136-R140 PolarHBondContact O-N 3.2Å; C136-L141 HydrophobicContact CB-CB 4.03Å; C136-L141 PolarHBondContact N-O 3.38Å; C136-C155 VanDerWaalsContact SG-SG 3.69Å
137I79.5Confident75.2Confident66 Ų6656.9 Ų56.934%0.33826%0.262SS..THydrogen-bonded Turntrans-68.9-24.7-179.860165.3000112.1F100 Q107 A109 K135F100-I137 HydrophobicContact CD1-CD1 4.2Å; F100-I137 HydrophobicContact CD1-CG2 4.39Å; F100-I137 HydrophobicContact CE1-CD1 3.9Å; F100-I137 HydrophobicContact CE1-CG2 4.02Å; Q107-I137 HydrophobicContact CB-CD1 3.99Å; Q107-I137 HydrophobicContact CB-CG1 3.62Å; Q107-I137 WeakPolarHBondContact O-CG1 3.41Å; Q107-I137 PolarHBondContact O-N 2.91Å; A109-I137 HydrophobicContact CB-CG2 3.9Å; K135-I137 PolarHBondContact O-N 3.38Å
138N77.7Confident75.7Confident92 Ų9250.2 Ų50.249%0.49224%0.239SC..THydrogen-bonded Turntrans-85.5-65.7-178.9-59.1-27.2000111.1Q107 C136Q107-N138 PolarHBondContact OE1-ND2 3.17Å; C136-N138 PolarHBondContact O-N 3.46Å
139C84.2Confident76.3Confident56 Ų5651.2 Ų51.238%0.37825%0.25SC..THydrogen-bonded Turntrans-96.31.5-175.372.60000115.1H106 C136 L141H106-C139 PolarHBondContact CE1-SG 3.46Å; H106-C139 PolarHBondContact ND1-SG 3.05Å; C136-C139 VanDerWaalsContact SG-SG 3.61Å; C139-L141 PolarHBondContact O-N 3.41Å; C139-L141 VanDerWaalsContact O-N 3.14Å; C139-L141 VanDerWaalsContact SG-CB 3.58Å
140R85.6Confident77.4Confident178 Ų17850 Ų5067%0.67225%0.246SC*.  trans61.814.3-178.8-53.1-170.2178.7-1733116.1C136 L142C136-R140 WeakPolarHBondContact O-CA 3.09Å; C136-R140 PolarHBondContact O-N 3.2Å; R140-L142 PolarHBondContact O-N 3.35Å
141L86Confident78.2Confident21 Ų2149.7 Ų49.711%0.1124%0.241CC..  trans-53.1130.5172.6-176.763.2000110.7F108 A120 K135 C136 C139 L143 F159F108-L141 HydrophobicContact CE1-CB 4.23Å; F108-L141 HydrophobicContact CE1-CD2 4.46Å; F108-L141 HydrophobicContact CE1-CG 4.33Å; F108-L141 WeakPolarHBondContact CE1-O 3.47Å; F108-L141 HydrophobicContact CZ-CB 4.43Å; F108-L141 HydrophobicContact CZ-CD2 3.92Å; F108-L141 HydrophobicContact CZ-CG 4.28Å; A120-L141 HydrophobicContact CB-CD1 3.34Å; A120-L141 HydrophobicContact CB-CG 4.44Å; K135-L141 CarbonylContact C-O 3.54Å; K135-L141 WeakPolarHBondContact CA-O 3.19Å; C136-L141 HydrophobicContact CB-CB 4.03Å; C136-L141 PolarHBondContact N-O 3.38Å; C139-L141 PolarHBondContact O-N 3.41Å; C139-L141 VanDerWaalsContact O-N 3.14Å; C139-L141 VanDerWaalsContact SG-CB 3.58Å; L141-L143 HydrophobicContact CD2-CD1 4.3Å; L141-L143 HydrophobicContact CG-CD1 4.49Å; L141-L143 HydrophobicContact CG-CG 4.35Å; L141-F159 HydrophobicContact CD1-CD2 3.98Å; L141-F159 HydrophobicContact CD1-CE2 4.22Å
142L87.4Confident78.8Confident41 Ų4155.2 Ų55.222%0.21526%0.26CS..EExtended strand (participates in β ladder)trans-110.7131.7-179-59.1-173.4000110.9F113 A117 A120 I126 F134 K135 R140F113-L142 HydrophobicContact CD1-CD1 4.46Å; F113-L142 HydrophobicContact CD1-CD2 4.17Å; F113-L142 HydrophobicContact CE1-CD1 4.42Å; F113-L142 HydrophobicContact CE1-CD2 3.35Å; F113-L142 HydrophobicContact CE1-CG 4.44Å; F113-L142 HydrophobicContact CZ-CD2 3.82Å; A117-L142 HydrophobicContact CB-CD1 4.15Å; A120-L142 VanDerWaalsContact CB-O 3.28Å; A120-L142 WeakPolarHBondContact CB-O 3.43Å; A120-L142 PolarHBondContact N-O 2.85Å; I126-L142 HydrophobicContact CD1-CB 3.98Å; F134-L142 WeakPolarHBondContact O-CA 3.25Å; K135-L142 HydrophobicContact CB-CD2 3.65Å; K135-L142 HydrophobicContact CD-CD2 4.04Å; K135-L142 HydrophobicContact CG-CD2 3.65Å; R140-L142 PolarHBondContact O-N 3.35Å
143L85.3Confident79.2Confident1 Ų154.5 Ų54.51%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-141.4148.6179.5-62.3165000110.6F108 A120 G133 F134 L141 V151F108-L143 HydrophobicContact CE1-CD1 3.82Å; F108-L143 HydrophobicContact CE1-CG 4.4Å; F108-L143 HydrophobicContact CE2-CD1 4.18Å; F108-L143 HydrophobicContact CZ-CD1 3.43Å; F108-L143 VanDerWaalsContact CZ-CD1 3.43Å; F108-L143 HydrophobicContact CZ-CG 4.41Å; A120-L143 HydrophobicContact CB-CD2 4.15Å; G133-L143 CarbonylContact C-O 3.58Å; G133-L143 WeakPolarHBondContact CA-O 3.34Å; F134-L143 PolarHBondContact N-O 3.41Å; F134-L143 PolarHBondContact O-N 3.48Å; L141-L143 HydrophobicContact CD2-CD1 4.3Å; L141-L143 HydrophobicContact CG-CD1 4.49Å; L141-L143 HydrophobicContact CG-CG 4.35Å; L143-V151 HydrophobicContact CD1-CG2 3.15Å; L143-V151 HydrophobicContact CD2-CG2 4.23Å; L143-V151 HydrophobicContact CG-CG2 4.32Å
144H80.6Confident79.5Confident15 Ų1561 Ų617%0.06929%0.285CS..EExtended strand (participates in β ladder)trans-64.6152.6158.4-63.8102.7000110C119 C122 E124 R125 I126 R146 C147 Q148C119-H144 VanDerWaalsContact CB-CE1 3.4Å; C119-H144 WeakPolarHBondContact CB-CE1 3.47Å; C119-H144 WeakPolarHBondContact CB-ND1 3.41Å; C119-H144 PolarHBondContact SG-N 3.28Å; C119-H144 VanDerWaalsContact SG-N 3.38Å; C119-H144 PolarHBondContact SG-ND1 3.07Å; C119-H144 VanDerWaalsContact SG-ND1 3.38Å; C122-H144 PolarHBondContact SG-CE1 2.79Å; C122-H144 PolarHBondContact SG-ND1 3.31Å; E124-H144 PolarHBondContact O-CE1 2.82Å; R125-H144 PolarHBondContact O-CE1 3.31Å; R125-H144 PolarHBondContact O-NE2 3.48Å; I126-H144 WeakPolarHBondContact CA-NE2 3.39Å; H144-R146 HydrophobicContact CB-CG 3.78Å; H144-R146 PolarHBondContact O-N 2.93Å; H144-C147 HydrophobicContact CB-CB 4.15Å; H144-C147 PolarHBondContact O-N 3.01Å; H144-Q148 PolarHBondContact O-N 3.11Å
145R75.5Confident79.3Confident133 Ų13362.7 Ų62.750%0.50230%0.296SS..G310 helixtrans-53.2-42.1170.3-166.3168.5-177.8-172.3-2.7112.5Q132 F134 C147 Q148Q132-R145 PolarHBondContact O-N 3.09Å; Q132-R145 VanDerWaalsContact O-N 3.15Å; F134-R145 HydrophobicContact CE2-CB 4.06Å; F134-R145 HydrophobicContact CE2-CG 3.72Å; F134-R145 HydrophobicContact CZ-CB 4.47Å; F134-R145 HydrophobicContact CZ-CG 3.81Å; R145-C147 VanDerWaalsContact C-N 3.26Å; R145-C147 PolarHBondContact O-N 3.35Å; R145-Q148 WeakPolarHBondContact O-CG 3.45Å; R145-Q148 PolarHBondContact O-N 3.34Å
146R78.8Confident78.8Confident176 Ų17663.5 Ų63.566%0.66432%0.321SS*.G310 helixtrans-65.2-22.9174.969.6179.4176.5-162.51.9114.8E124 H144E124-R146 IonicContact OE2-CZ 2.71Å; E124-R146 IonicContact OE2-NH2 2.65Å; E124-R146 PolarHBondContact OE2-NH2 2.81Å; H144-R146 HydrophobicContact CB-CG 3.78Å; H144-R146 PolarHBondContact O-N 2.93Å
147C81.3Confident78.4Confident9 Ų968.5 Ų68.56%0.06134%0.344CS..G310 helixtrans-92.1-1.4-176.2-67.20000113.4C119 Y121 H144 R145 G149 G150C119-C147 VanDerWaalsContact SG-SG 3.62Å; Y121-C147 HydrophobicContact CD1-CB 3.98Å; Y121-C147 HydrophobicContact CG-CB 4.17Å; H144-C147 HydrophobicContact CB-CB 4.15Å; H144-C147 PolarHBondContact O-N 3.01Å; R145-C147 VanDerWaalsContact C-N 3.26Å; R145-C147 PolarHBondContact O-N 3.35Å; C147-G149 VanDerWaalsContact C-N 3.29Å; C147-G149 PolarHBondContact O-N 2.88Å; C147-G150 PolarHBondContact O-N 3.12Å; C147-G150 VanDerWaalsContact O-N 3.07Å
148Q75.2Confident77.6Confident44 Ų4469.4 Ų69.421%0.20636%0.361CS..G310 helixtrans-57.2-39.7-179.170-175.3-15.400112.5L103 F134 H144 R145 G150 V151L103-Q148 HydrophobicContact CD1-CB 4.4Å; L103-Q148 HydrophobicContact CD2-CB 4.08Å; L103-Q148 WeakPolarHBondContact CD2-O 3.43Å; F134-Q148 HydrophobicContact CD2-CB 4.26Å; F134-Q148 HydrophobicContact CE2-CB 4.13Å; H144-Q148 PolarHBondContact O-N 3.11Å; R145-Q148 WeakPolarHBondContact O-CG 3.45Å; R145-Q148 PolarHBondContact O-N 3.34Å; Q148-G150 PolarHBondContact O-N 3.27Å; Q148-V151 WeakPolarHBondContact O-CG2 3.33Å; Q148-V151 PolarHBondContact O-N 3.23Å; Q148-V151 VanDerWaalsContact O-N 3.16Å
149G70.1Confident77Confident58 Ų5868.1 Ų68.160%0.59835%0.352SS*.G310 helixtrans-65.5-10.1179.400000114.8C147C147-G149 VanDerWaalsContact C-N 3.29Å; C147-G149 PolarHBondContact O-N 2.88Å
150G70.8Confident75.7Confident10 Ų1072.1 Ų72.110%0.10337%0.367CS..G310 helixtrans-88.3-9.7177.500000115Y121 C147 Q148 R152Y121-G150 WeakPolarHBondContact CE2-O 3.31Å; C147-G150 PolarHBondContact O-N 3.12Å; C147-G150 VanDerWaalsContact O-N 3.07Å; Q148-G150 PolarHBondContact O-N 3.27Å; G150-R152 PolarHBondContact O-N 3.39Å
151V72.6Confident74.1Confident3 Ų372.9 Ų72.92%0.01837%0.37CS..  trans-74.9124.1179.6-176.50000109.1L103 H104 L143 Q148L103-V151 HydrophobicContact CD2-CB 3.65Å; L103-V151 HydrophobicContact CD2-CG1 4.18Å; L103-V151 HydrophobicContact CD2-CG2 3.55Å; H104-V151 HydrophobicContact CB-CG1 4.32Å; H104-V151 PolarHBondContact CD2-O 3.43Å; H104-V151 PolarHBondContact NE2-O 3.42Å; H104-V151 VanDerWaalsContact NE2-O 3.13Å; L143-V151 HydrophobicContact CD1-CG2 3.15Å; L143-V151 HydrophobicContact CD2-CG2 4.23Å; L143-V151 HydrophobicContact CG-CG2 4.32Å; Q148-V151 WeakPolarHBondContact O-CG2 3.33Å; Q148-V151 PolarHBondContact O-N 3.23Å; Q148-V151 VanDerWaalsContact O-N 3.16Å
152R71.9Confident72.5Confident169 Ų16973.4 Ų73.464%0.63838%0.375SS*.  trans-128-0.3179.6-63.3-170.8-179.4-172.62.2114.7G150G150-R152 PolarHBondContact O-N 3.39Å
153H76.8Confident71Confident16 Ų1675.2 Ų75.27%0.07439%0.388CS..SBendtrans-107.9156.4-179.763.1-73.4000109.9H104 H106 E157 F159H104-H153 WeakPolarHBondContact CB-O 3.33Å; H106-H153 AromaticContact CE1-NE2 3.71Å; H106-H153 AromaticContact NE2-CD2 3.7Å; H106-H153 AromaticContact NE2-NE2 3.52Å; H106-H153 PolarHBondContact NE2-O 3.42Å; H153-E157 HydrophobicContact CB-CB 4.4Å; H153-F159 AromaticContact CE1-CD2 3.24Å; H153-F159 WeakPolarHBondContact CE1-CD2 3.48Å; H153-F159 AromaticContact CE1-CE2 3.72Å; H153-F159 AromaticContact ND1-CD2 3.95Å; H153-F159 AromaticContact NE2-CD2 3.66Å
154K80Confident68.9Low137 Ų13783.6 Ų83.660%0.59642%0.421SS*.  trans-81155.5176.4-63.7-179.5178178.50111.8H104 G156 E157H104-K154 VanDerWaalsContact O-CA 3.28Å; H104-K154 WeakPolarHBondContact O-CA 3.4Å; K154-G156 PolarHBondContact O-N 2.82Å; K154-E157 HydrophobicContact CB-CG 4.08Å; K154-E157 PolarHBondContact N-OE2 3.06Å; K154-E157 WeakPolarHBondContact O-CB 3.48Å; K154-E157 PolarHBondContact O-N 2.78Å
155C79.3Confident67.2Low37 Ų3790.7 Ų90.725%0.2545%0.454CS..THydrogen-bonded Turntrans-58.9124.6173.1-167.20000111.1H104 G105 H106 C136H104-C155 PolarHBondContact O-N 2.56Å; G105-C155 WeakPolarHBondContact O-CB 3.22Å; H106-C155 HydrophobicContact CB-CB 4.37Å; H106-C155 PolarHBondContact NE2-N 3.49Å; C136-C155 VanDerWaalsContact SG-SG 3.69Å
156G72Confident65.9Low72 Ų7287.1 Ų87.174%0.74245%0.445SS*.THydrogen-bonded Turntrans96.7-15.4-176.400000114.4K154K154-G156 PolarHBondContact O-N 2.82Å
157E76.7Confident64.1Low104 Ų10482.1 Ų82.149%0.48643%0.43SS..SBendtrans-76.8151.8171.2-66.8176173.300111.1H153 K154 F159H153-E157 HydrophobicContact CB-CB 4.4Å; K154-E157 HydrophobicContact CB-CG 4.08Å; K154-E157 PolarHBondContact N-OE2 3.06Å; K154-E157 WeakPolarHBondContact O-CB 3.48Å; K154-E157 PolarHBondContact O-N 2.78Å; E157-F159 PolarHBondContact O-N 2.78Å
158A62.5Low61.9Low86 Ų8690.3 Ų90.371%0.71146%0.46SS*.  trans-60.6127.7174.900000110.1I160A158-I160 PolarHBondContact O-N 3Å
159F63.9Low60.2Low65 Ų6592 Ų9229%0.28548%0.476SS..  trans-60.5105.7178.9180-92.2000110.6A120 L141 H153 E157 R161A120-F159 HydrophobicContact CB-CE2 4.01Å; A120-F159 HydrophobicContact CB-CZ 4.16Å; A120-F159 WeakPolarHBondContact O-CZ 3.47Å; L141-F159 HydrophobicContact CD1-CD2 3.98Å; L141-F159 HydrophobicContact CD1-CE2 4.22Å; H153-F159 AromaticContact CE1-CD2 3.24Å; H153-F159 WeakPolarHBondContact CE1-CD2 3.48Å; H153-F159 AromaticContact CE1-CE2 3.72Å; H153-F159 AromaticContact ND1-CD2 3.95Å; H153-F159 AromaticContact NE2-CD2 3.66Å; E157-F159 PolarHBondContact O-N 2.78Å; F159-R161 HydrophobicContact CD1-CG 4.29Å; F159-R161 HydrophobicContact CE1-CG 4.1Å; F159-R161 PolarHBondContact O-N 2.75Å
160I58.5Low58.7Low139 Ų13993.4 Ų93.471%0.71347%0.469SS*.PPolyproline II helixtrans-80117.9173.4-55179.4000108.1A158A158-I160 PolarHBondContact O-N 3Å
161R52.1Low56.9Low194 Ų19497 Ų9773%0.73249%0.493SS*.PPolyproline II helixtrans-62.3133.3-179.8-72.9-177.1179.7-170.60.4110.6F159 T163F159-R161 HydrophobicContact CD1-CG 4.29Å; F159-R161 HydrophobicContact CE1-CG 4.1Å; F159-R161 PolarHBondContact O-N 2.75Å; R161-T163 PolarHBondContact O-N 3.33Å
162P52.3Low55Low33 Ų33102.9 Ų102.921%0.21453%0.529CS..PPolyproline II helixtrans-62.6131.4169.1-14.125.8000110.3Y121 N166Y121-P162 HydrophobicContact CD2-CB 4.44Å; Y121-P162 HydrophobicContact CD2-CG 3.42Å; Y121-P162 VanDerWaalsContact CD2-CG 3.42Å; Y121-P162 HydrophobicContact CE2-CB 3.83Å; Y121-P162 HydrophobicContact CE2-CG 3.26Å; Y121-P162 HydrophobicContact CG-CG 4.4Å; P162-N166 HydrophobicContact CB-CB 4.48Å
163T54.4Low53Low78 Ų78101.9 Ų101.948%0.47953%0.529SS..PPolyproline II helixtrans-76.5156.6167.548.90000110.3R161 Q165 N166R161-T163 PolarHBondContact O-N 3.33Å; T163-Q165 PolarHBondContact O-N 3.47Å; T163-N166 WeakPolarHBondContact O-CB 3.45Å; T163-N166 PolarHBondContact O-N 3.17Å; T163-N166 PolarHBondContact OG1-ND2 3.13Å
164Y42.5Very low50.7Low178 Ų178107.1 Ų107.170%0.69857%0.568SS**G310 helixtrans-53.6-29.3-177.3-147.8-93.6000113.7M167Y164-M167 HydrophobicContact CD2-CE 3.77Å; Y164-M167 HydrophobicContact CE2-CE 4.35Å; Y164-M167 HydrophobicContact CG-CE 4.22Å; Y164-M167 PolarHBondContact O-N 3.34Å
165Q44.3Very low48.3Very low164 Ų164106.8 Ų106.877%0.76658%0.578SS**G310 helixtrans-67.8-33176.5-71.4169.6-22.800113.1T163 M167T163-Q165 PolarHBondContact O-N 3.47Å; Q165-M167 VanDerWaalsContact C-N 3.29Å; Q165-M167 PolarHBondContact O-N 2.96Å
166N48.1Very low45.8Very low57 Ų57108.4 Ų108.431%0.30560%0.601SS.*G310 helixtrans-76.5-14.4179.4-71.2-19.2000113.3P162 T163 S169P162-N166 HydrophobicContact CB-CB 4.48Å; T163-N166 WeakPolarHBondContact O-CB 3.45Å; T163-N166 PolarHBondContact O-N 3.17Å; T163-N166 PolarHBondContact OG1-ND2 3.13Å; N166-S169 PolarHBondContact O-OG 3.4Å
167M41.5Very low43.8Very low72 Ų72110.7 Ų110.736%0.35561%0.605SS.*G310 helixtrans-83.6-18.3178.5-68.4-170.5-81.100113.2Y121 Y164 Q165Y121-M167 HydrophobicContact CE1-CG 4.46Å; Y164-M167 HydrophobicContact CD2-CE 3.77Å; Y164-M167 HydrophobicContact CE2-CE 4.35Å; Y164-M167 HydrophobicContact CG-CE 4.22Å; Y164-M167 PolarHBondContact O-N 3.34Å; Q165-M167 VanDerWaalsContact C-N 3.29Å; Q165-M167 PolarHBondContact O-N 2.96Å
168R35.4Very low41.5Very low181 Ų181111.3 Ų111.368%0.68362%0.616SS**THydrogen-bonded Turntrans-81.6-14.7-176.5-74.9-173.1174.1-176.1-1.9115.1I170 S171R168-I170 PolarHBondContact O-N 2.72Å; R168-S171 PolarHBondContact O-OG 3.44Å; R168-S171 VanDerWaalsContact O-OG 3.08Å
169S39.6Very low39.9Very low80 Ų80113.1 Ų113.156%0.55962%0.62SS**THydrogen-bonded Turntrans-78.10.1-179.753.10000114.3N166N166-S169 PolarHBondContact O-OG 3.4Å
170I38.5Very low38.2Very low86 Ų86115.6 Ų115.644%0.44164%0.641SS.*SBendtrans-123.1-10.4-179.4-56.8174.9000111.3R168 T172R168-I170 PolarHBondContact O-N 2.72Å; I170-T172 PolarHBondContact O-N 2.89Å; I170-T172 VanDerWaalsContact O-N 3.07Å
171S32Very low36.9Very low87 Ų87115.6 Ų115.661%0.60865%0.647SS**THydrogen-bonded Turntrans-79.717.5-171.657.20000115.7R168R168-S171 PolarHBondContact O-OG 3.44Å; R168-S171 VanDerWaalsContact O-OG 3.08Å
172T33Very low35.7Very low126 Ų126116.5 Ų116.577%0.77365%0.651SS**THydrogen-bonded Turntrans-93.18.2174.835.80000114.3I170I170-T172 PolarHBondContact O-N 2.89Å; I170-T172 VanDerWaalsContact O-N 3.07Å
173F30.5Very low34.9Very low147 Ų147121 Ų12165%0.64567%0.673SS**SBendtrans-98.8116.7169.2-77.9-88.5000110.6T175F173-T175 PolarHBondContact O-N 3.47Å; F173-T175 VanDerWaalsContact O-N 3.09Å
174S27.1Very low33.7Very low126 Ų126125.2 Ų125.288%0.88169%0.693SS**  trans-46.8107.4-175.8-53.70000113.2G176S174-G176 PolarHBondContact O-N 3.48Å
175T29.3Very low33.5Very low131 Ų131123.6 Ų123.680%0.80470%0.696SS**  trans-75.7101.6165.449.40000109.3F173 S177F173-T175 PolarHBondContact O-N 3.47Å; F173-T175 VanDerWaalsContact O-N 3.09Å; T175-S177 PolarHBondContact O-N 3.31Å
176G26.9Very low32.8Very low71 Ų71118.3 Ų118.373%0.73269%0.685SS**  trans-75.2112.9159.800000110S174S174-G176 PolarHBondContact O-N 3.48Å
177S31.5Very low32.2Very low119 Ų119123.4 Ų123.483%0.83271%0.712SS**  trans76.184.8160.7-47.80000118T175T175-S177 PolarHBondContact O-N 3.31Å
178T28.3Very low31.7Very low118 Ų118131 Ų13172%0.72474%0.737SS**PPolyproline II helixtrans-60139.4151.636.90000111.4T180T178-T180 PolarHBondContact O-N 2.97Å
179P28Very low31.7Very low123 Ų123128.2 Ų128.280%0.79974%0.742SS**PPolyproline II helixtrans-74.1119.8172.618.8-10.6000109.9V181P179-V181 PolarHBondContact O-N 3.2Å
180T29.6Very low31.4Very low118 Ų118130.1 Ų130.172%0.72475%0.751SS**PPolyproline II helixtrans-72.5118.6170.136.30000110.1T178T178-T180 PolarHBondContact O-N 2.97Å
181V29.3Very low31.1Very low138 Ų138131.7 Ų131.784%0.83677%0.765SS**PPolyproline II helixtrans-65.1125.2169.4176.30000108.5P179P179-V181 PolarHBondContact O-N 3.2Å
182W27.8Very low31.1Very low214 Ų214135.5 Ų135.581%0.81178%0.777SS**PPolyproline II helixtrans-91123.5165.3-68.667.2000107.3
183D34.5Very low30.9Very low126 Ų126133.2 Ų133.267%0.67477%0.77SS**PPolyproline II helixtrans-82.2156.9163.861.6-2.6000109.9N185D183-N185 PolarHBondContact O-N 2.91Å
184N31.2Very low30.9Very low168 Ų168131.9 Ų131.990%0.89878%0.775SS**THydrogen-bonded Turntrans-69.422.7-165.3-80.3-23.7000115.9
185N37.5Very low31Very low144 Ų144132.7 Ų132.777%0.7777%0.769SS**THydrogen-bonded Turntrans-134.414.1-171.7-84.7-13.4000117D183 N187D183-N185 PolarHBondContact O-N 2.91Å; N185-N187 PolarHBondContact O-N 3.47Å
186G28.8Very low31.2Very low52 Ų52134 Ų13454%0.53677%0.77SS.*  trans52.157.415300000119
187N37Very low31.4Very low164 Ų164135.2 Ų135.288%0.87777%0.768SS**  trans-146.5137.7165.6-85.9-42.7000113.4N185N185-N187 PolarHBondContact O-N 3.47Å
188R29.3Very low31.6Very low232 Ų232135 Ų13588%0.87577%0.766SS**  trans-110.9138.9-179.9-171.8-169.2-136.5-136.95.1110.4
189P35.6Very low31.8Very low122 Ų122138.1 Ų138.179%0.79277%0.772SS**  trans-117.2150.91619.911.9000114.8
190T33.1Very low32.1Very low120 Ų120139.3 Ų139.374%0.73678%0.778SS**  trans-88.7142.7-170.629.60000115.7
191T32.1Very low32.2Very low120 Ų120138.3 Ų138.374%0.73678%0.776SS**  trans45.7133.3135.4-19.10000121.8
192I32.6Very low32.4Very low166 Ų166139 Ų13985%0.85178%0.775SS**  165.2152.2119.1-80.1157.5000111.3
193A29.1Very low32.6Very low78 Ų78134.1 Ų134.165%0.64577%0.768SS**  trans-97.9-174.9-154.400000117
194T29.6Very low32.4Very low120 Ų120135 Ų13574%0.73677%0.773SS**  trans95.5109.2146.648.70000122.3
195N31.1Very low32.4Very low142 Ų142132.6 Ų132.676%0.75977%0.766SS**  55.4137.5122.8-57.4-12.4000124.6
196L32.7Very low32Very low158 Ų158130.6 Ų130.683%0.82776%0.761SS**  trans137.6112137-97.987.2000110.3
197S30.6Very low31.9Very low97 Ų97140.1 Ų140.168%0.67878%0.781SS**  91117.366.569.90000115.1
198S36.5Very low31.5Very low115 Ų115140 Ų14080%0.80478%0.779SS**  trans163.2107.6142.153.90000110.1
199E31.2Very low31.2Very low183 Ų183134.1 Ų134.186%0.85577%0.771SS**  69.3111.794-75.3-169.4171.300116.8
200T35.5Very low30.7Very low149 Ų149135.1 Ų135.191%0.91478%0.775SS**  176.5149.8108.931.80000112.5
201S30.7Very low30.2Very low97 Ų97134.9 Ų134.968%0.67877%0.773SS**  trans-97.4160.3-15552.60000116.4
202N34.2Very low29.8Very low153 Ų153137.1 Ų137.182%0.81878%0.779SS**  trans-164.199.1132.4-89.2-24.5000112.7
203T32.8Very low29.3Very low110 Ų110136.5 Ų136.568%0.67577%0.772SS**  trans22.3112.3138.1480000120.6
204L30.3Very low29Very low145 Ų145137.6 Ų137.676%0.75978%0.775SS**  89.9152.380.7-89.4158.1000113.6P206L204-P206 HydrophobicContact CD2-CB 4.28Å; L204-P206 HydrophobicContact CD2-CG 4.49Å
205P30.9Very low28.8Very low117 Ų117142 Ų14276%0.7678%0.78SS**  cis-140.9-16735.451.1-31.1000114.5
206P29.5Very low28.5Very low103 Ų103144.2 Ų144.267%0.66978%0.783SS**  -115.6159.3-117.416.69.9000114.1L204 L208L204-P206 HydrophobicContact CD2-CB 4.28Å; L204-P206 HydrophobicContact CD2-CG 4.49Å; P206-L208 PolarHBondContact O-N 3.07Å
207R26.2Very low28.1Very low252 Ų252144.5 Ų144.595%0.95179%0.785SS**PPolyproline II helixtrans-67.9125.5166.5-75.5-176.7174.1-160.1-3.1110
208L27Very low27.9Very low161 Ų161148.8 Ų148.884%0.84380%0.795SS**PPolyproline II helixtrans-84.4140.8161.5-84.9162000109.7P206P206-L208 PolarHBondContact O-N 3.07Å
209P24.6Very low27.4Very low109 Ų109149.1 Ų149.171%0.70879%0.794SS**PPolyproline II helixtrans-82.9132.4179.733.2-29.4000109.4
210V25.2Very low27.4Very low143 Ų143151.7 Ų151.787%0.86780%0.796SS**  trans-111.1110.2166.9-176.80000109.1
211T22.8Very low27.1Very low114 Ų114149.9 Ų149.970%0.69979%0.787SS**  trans-52.8132.1174.7-51.50000112.2Q213T211-Q213 PolarHBondContact O-N 2.79Å
212I22.4Very low27Very low167 Ų167151 Ų15186%0.85679%0.791SS**  trans-68.2105.4166.4-61.9167.7000107.3
213Q22.7Very low26.8Very low153 Ų153153.7 Ų153.772%0.71580%0.796SS**  trans-94.9111.7162.8-90.5-178.6-18.400108.8T211 Y215T211-Q213 PolarHBondContact O-N 2.79Å; Q213-Y215 PolarHBondContact O-N 3.29Å
214S22.3Very low26.5Very low101 Ų101157.6 Ų157.671%0.70681%0.807SS**PPolyproline II helixtrans-55.4118.2165.457.10000109.9
215Y25Very low26.3Very low213 Ų213159 Ų15984%0.83581%0.809SS**PPolyproline II helixtrans-95.2122158.7-89.6-89.7000108.9Q213Q213-Y215 PolarHBondContact O-N 3.29Å
216K24.7Very low26.3Very low189 Ų189163 Ų16382%0.82281%0.814SS**PPolyproline II helixtrans-65.9151.2-177.4-71.4170.7169.8177.30111.1
217D24.9Very low26.1Very low164 Ų164165.1 Ų165.188%0.87782%0.819SS**  trans-39.7135.3166.4-59.8-64.1000113.3
218E26.9Very low26.4Very low187 Ų187160.5 Ų160.587%0.87481%0.811SS**  trans-116.4141.2149.5-82.1-151.3156.400110.3
219P26.7Very low26.4Very low122 Ų122157 Ų15779%0.79281%0.806SS**PPolyproline II helixtrans-87.9137-162.826.2-14.1000111.7
220R30.1Very low26.5Very low237 Ų237160 Ų16089%0.89482%0.815SS**PPolyproline II helixtrans-65.9134.5169.6-159178-72.6-123.52.9109.3
221P30.3Very low26.8Very low111 Ų111158.9 Ų158.972%0.72181%0.814SS**PPolyproline II helixtrans-70.3152.5-178.228.9-33.3000111.5
222P27.8Very low27Very low120 Ų120162.2 Ų162.278%0.77982%0.821SS**PPolyproline II helixtrans-74.9141.2-174.130.9-32.5000111.3Q224P222-Q224 PolarHBondContact O-N 2.83Å
223K29.5Very low27.5Very low209 Ų209164.5 Ų164.591%0.90982%0.819SS**PPolyproline II helixtrans-62.1121.6168.4-76.5179.8173.7-179.50109.2E225K223-E225 PolarHBondContact O-N 2.84Å
224Q27.8Very low28Very low193 Ų193165.1 Ų165.190%0.90282%0.822SS**  trans-73.1115.7167-85.3172.2-25.700109.7P222P222-Q224 PolarHBondContact O-N 2.83Å
225E26.1Very low28.5Very low174 Ų174164.5 Ų164.581%0.81382%0.818SS**  trans-65123.6162.8-73.4173.714800109.6K223 I227K223-E225 PolarHBondContact O-N 2.84Å; E225-I227 PolarHBondContact O-N 3.44Å
226K30.4Very low28.8Very low200 Ų200160.2 Ų160.287%0.8781%0.809SS**  trans-84.897.4162-90.9-176.6175.1178.70108.5I228K226-I228 PolarHBondContact O-N 2.91Å
227I25.6Very low29.2Very low148 Ų148158.9 Ų158.976%0.75981%0.806SS**  trans-68.3117.8160.4-64.1169000107.3E225E225-I227 PolarHBondContact O-N 3.44Å
228I30.8Very low29.6Very low155 Ų155156.2 Ų156.280%0.79580%0.796SS**  trans-104.6118.6161.5-65177.1000106.7K226K226-I228 PolarHBondContact O-N 2.91Å
229A27.3Very low30Very low88 Ų88152 Ų15273%0.72779%0.787SS**  trans-66.1133.1-176.700000112.3
230L27.2Very low30.5Very low173 Ų173151.5 Ų151.591%0.90678%0.778SS**  trans-108.9115.7158.1-79.1165.2000107.4
231S32.6Very low30.9Very low119 Ų119148 Ų14883%0.83277%0.769SS**  trans-78.6133.617252.50000110.6
232E26.9Very low31.2Very low184 Ų184150.3 Ų150.386%0.8677%0.77SS**  trans-59.2151.2174.8-59.7166.1139.100113.7
233R33.2Very low31.5Very low214 Ų214151.8 Ų151.881%0.80877%0.77SS**  -179114.9124-96.4175-173.3-170.90.5109.9
234E31.9Very low31.4Very low166 Ų166147.8 Ų147.878%0.77676%0.762SS**  78.5138.4112.6-71.3173.7163.100113.7
235S32.1Very low32.1Very low89 Ų89143.4 Ų143.462%0.62275%0.751SS**  cis-178.4161.7-10.948.30000106.9
236N32.1Very low32.4Very low123 Ų123141.1 Ų141.166%0.65875%0.749SS**  trans83.6110.7154.2-62.1-29.4000119.7
237Q33.1Very low32.7Very low160 Ų160136.2 Ų136.275%0.74874%0.74SS**  101.113986.7-82.1178.126.700108.7
238T34.3Very low33.1Very low109 Ų109136.4 Ų136.467%0.66974%0.742SS**  cis-177.8150.49.221.50000107.9
239S34.3Very low33.4Very low98 Ų98136.7 Ų136.769%0.68574%0.744SS**  trans58.9143.5141.866.70000119.8
240D37.5Very low33.8Very low112 Ų112141 Ų14160%0.59975%0.746SS**  cis-175.6145.818.5-118.9-8.8000108.8
241K38.8Very low34.3Very low162 Ų162138.9 Ų138.970%0.70474%0.736SS**  trans64.2144.7131.1-64.8178.2-174.4144.40120.3
242H35.4Very low34.3Very low161 Ų161139.5 Ų139.575%0.74573%0.73SS**  cis178.5159.1-8.5-137.7-59.8000107.3
243I34.6Very low34.6Very low151 Ų151138.9 Ų138.977%0.77473%0.732SS**  trans100.1125.5147.6-59150.9000119.7
244T28.4Very low34.4Very low124 Ų124138.1 Ų138.176%0.76173%0.734SS**  trans-107.1-161.9175.247.60000110.2
245P40.7Very low34.8Very low102 Ų102136.3 Ų136.366%0.66274%0.737SS**  -129.7-171.5-72.835.2-14.9000114.2
246T33.2Very low34.8Very low126 Ų126135.1 Ų135.177%0.77374%0.739SS**  trans113.3131.6146.965.90000122.9
247S36.1Very low34.8Very low97 Ų97134.5 Ų134.568%0.67874%0.744SS**  trans95.2115.3137.267.90000123.5
248D34.8Very low34.9Very low151 Ų151133.2 Ų133.281%0.80774%0.742SS**  80.6150.6125.1-62.9-21.1000125.4
249I37.5Very low34.9Very low161 Ų161133.7 Ų133.783%0.82674%0.741SS**  trans108104.6160.9-55.3165.4000113
250K35.6Very low34.8Very low180 Ų180136.3 Ų136.378%0.78375%0.746SS**  101.5133.352.4-99.1-172.5-179.3175.10114.1
251N36.9Very low34.5Very low128 Ų128137 Ų13768%0.68475%0.748SS**  trans78.9147.7150.6-59.3-12.9000118.3
252N32.1Very low34.2Very low131 Ų131135.8 Ų135.870%0.70175%0.748SS**  cis-179.8161.6-11.1-106.5-28.6000108.7
253L33.3Very low33.9Very low172 Ų172134.2 Ų134.290%0.90174%0.741SS**  trans99129.1149.3-65.8137.1000122.3
254K29.7Very low33.8Very low198 Ų198136.8 Ų136.886%0.86174%0.741SS**  trans-94.4-158.8175.7-77.6-178.8165-177.90111.3
255P40.1Very low34Very low128 Ų128136.6 Ų136.683%0.83175%0.745SS**  -132.4-170.5-67.739.5-21.5000113.4
256G32.7Very low33.7Very low64 Ų64135.2 Ų135.266%0.6675%0.749SS**  trans131.2113.7160.500000113.3
257S31.4Very low33.7Very low110 Ų110135.5 Ų135.577%0.76975%0.75SS**  97.4148.973.570.70000113.2
258D35.5Very low33.8Very low132 Ų132139.2 Ų139.271%0.70676%0.757SS**  trans92.8140.1165.7-59.56.6000116.5
259N34Very low34Very low120 Ų120137 Ų13764%0.64275%0.75SS**  cis-176.3167.2-1-103.3-30.1000109.1
260L33.5Very low33.7Very low153 Ų153134.5 Ų134.580%0.80175%0.747SS**  trans99.5122154.5-61.9148.5000118.8
261I30.8Very low33.7Very low125 Ų125131.3 Ų131.364%0.64175%0.747SS**  cis118.5122.58.7-74.7178.8000112.9
262I32.7Very low33.6Very low138 Ų138132.1 Ų132.171%0.70876%0.757SS**  trans76145.7146.1-68.1169000120
263E28.4Very low33.6Very low128 Ų128131.3 Ų131.360%0.59876%0.759SS**  cis179167.5-17.3-97.5-177148.800107.5
264R33.1Very low33.5Very low204 Ų204129.6 Ų129.677%0.7776%0.755SS**  trans97.8105.4140.1-82.4157.3-157.4-141.57.1122.5
265S33Very low33.6Very low121 Ų121126.1 Ų126.185%0.84675%0.753SS**  94.5128.9107.8-60.50000123.3
266G33.7Very low32.8Very low72 Ų72126.5 Ų126.574%0.74275%0.753SS**  trans140.58115300000116.2
267V33.2Very low32.6Very low133 Ų133128.4 Ų128.481%0.80676%0.756SS**  85.4102.890.3177.10000117
268H37.7Very low32.5Very low175 Ų175129.9 Ų129.981%0.8175%0.754SS**  trans51.2165134.4-78-60.6000124.8
269P38.5Very low32.2Very low104 Ų104131.2 Ų131.268%0.67576%0.759SS**  cis-143.4176.9-33.237.8-18.7000117
270S32.8Very low32Very low109 Ų109132 Ų13276%0.76276%0.763SS**  trans82.1109.1142.4660000122.5
271S34.9Very low31.8Very low112 Ų112134.4 Ų134.478%0.78377%0.767SS**  -178.2108.3111.757.20000113.9
272V34.9Very low31.8Very low146 Ų146134.6 Ų134.689%0.88577%0.774SS**  trans63.8140.1138.4-171.90000121
273P31.9Very low32Very low113 Ų113134.1 Ų134.173%0.73477%0.773SS**  trans-119.3168.3-14341.7-28.7000117
274V30.5Very low32.5Very low137 Ų137135.9 Ų135.983%0.8379%0.786SS**  trans-136.1139.2160.7-1740000108
275P31.5Very low33Very low124 Ų124130.7 Ų130.781%0.80577%0.769SS**  trans-83.2128.4-16317.4-5.5000113.5
276V25Very low33.5Very low137 Ų137128.2 Ų128.283%0.8375%0.752SS**  trans-129.9118.8162.5-179.70000108
277S28.1Very low33.9Very low104 Ų104125.8 Ų125.873%0.72772%0.722SS**  trans-171.4126.8159.355.80000105.1
278I28.6Very low34Very low141 Ų141124 Ų12472%0.72371%0.713SS**  -139122.164.9-69.4159.5000109.1
279I29.2Very low34.2Very low159 Ų159118.3 Ų118.382%0.81569%0.688SS**  trans-86.9105164-64.3167.2000105.3
280D29.7Very low34.2Very low136 Ų136116.2 Ų116.273%0.72767%0.67SS**PPolyproline II helixtrans-93.6142.3162.6-84.7-39.3000109.4V282D280-V282 PolarHBondContact O-N 2.91Å
281K29.5Very low34.4Very low204 Ų204116.8 Ų116.889%0.88766%0.661SS**PPolyproline II helixtrans-52.2123.4-169.3-65.7170.9175.8175.80111.8D283K281-D283 PolarHBondContact O-N 2.86Å
282V31.3Very low34.3Very low129 Ų129119.1 Ų119.178%0.78266%0.66SS**PPolyproline II helixtrans-67.9117.7170.9-179.60000108.6D280D280-V282 PolarHBondContact O-N 2.91Å
283D35.6Very low34.2Very low128 Ų128121 Ų12168%0.68465%0.651SS**PPolyproline II helixtrans-76.6128.5171.3-134-12.5000108.3K281 K285K281-D283 PolarHBondContact O-N 2.86Å; D283-K285 PolarHBondContact O-N 2.9Å
284D39.2Very low34.1Very low165 Ų165121.3 Ų121.388%0.88265%0.645SS**THydrogen-bonded Turntrans-73.631.9-168.4-148.211.5000113.4
285K44.5Very low34Very low95 Ų95120.4 Ų120.441%0.41363%0.634SS.*THydrogen-bonded Turntrans-121.7-0.9-173.7-67-168.6179.6-168.20114.4D283 M575 E576D283-K285 PolarHBondContact O-N 2.9Å; K285-M575 WeakPolarHBondContact O-CE 3.34Å; K285-E576 WeakPolarHBondContact CD-OE1 3.32Å; K285-E576 VanDerWaalsContact CE-OE1 3.27Å; K285-E576 WeakPolarHBondContact CE-OE1 3.23Å; K285-E576 IonicContact NZ-OE1 3.2Å; K285-E576 PolarHBondContact NZ-OE1 2.81Å; K285-E576 IonicContact NZ-OE2 3.57Å; K285-E576 PolarHBondContact NZ-OE2 3.49Å
286S42.9Very low33.7Very low69 Ų69121.5 Ų121.548%0.48363%0.633SS.*SBendtrans-72.4131.7168.652.30000109.3P288S286-P288 WeakPolarHBondContact O-CD 3.43Å; S286-P288 VanDerWaalsContact O-N 3.15Å
287I41.8Very low34Very low21 Ų21118.8 Ų118.811%0.10861%0.613CS.*  trans-54.7124.4161.3-57173.6000105.1I289 F571 M575 W585 V586 E589I287-I289 VanDerWaalsContact C-N 3.29Å; I287-I289 PolarHBondContact O-N 3.2Å; I287-F571 HydrophobicContact CD1-CE1 3.91Å; I287-M575 HydrophobicContact CD1-SD 3.64Å; I287-M575 HydrophobicContact CG1-CE 4.2Å; I287-M575 HydrophobicContact CG1-SD 3.56Å; I287-M575 VanDerWaalsContact CG1-SD 3.56Å; I287-W585 HydrophobicContact CD1-CB 3.67Å; I287-W585 HydrophobicContact CD1-CG 4.37Å; I287-W585 HydrophobicContact CG1-CB 4.38Å; I287-V586 HydrophobicContact CG2-CG2 4.29Å; I287-E589 WeakPolarHBondContact CG2-OE2 3.46Å
288P35.8Very low33.9Very low97 Ų97117.9 Ų117.963%0.6361%0.605SS**  trans-59.8105.1171.423.1-29000105.6S286 I290S286-P288 WeakPolarHBondContact O-CD 3.43Å; S286-P288 VanDerWaalsContact O-N 3.15Å; P288-I290 PolarHBondContact O-N 2.97Å
289I41.6Very low34Very low54 Ų54119.3 Ų119.328%0.27761%0.614SS.*  trans-44.5121.8172.1-57.1168.9000104.2I287 E291 E429I287-I289 VanDerWaalsContact C-N 3.29Å; I287-I289 PolarHBondContact O-N 3.2Å; I289-E291 HydrophobicContact CB-CG 4.27Å; I289-E291 HydrophobicContact CG2-CG 3.91Å; I289-E291 PolarHBondContact O-N 2.87Å; I289-E429 WeakPolarHBondContact CD1-OE2 3.37Å; I289-E429 WeakPolarHBondContact CG1-OE2 3.32Å
290I38.3Very low34.1Very low60 Ų60116.3 Ų116.331%0.30860%0.599SS.*  trans-71.176.6175.5-56.6176.4000105.9P288 Q292 R590P288-I290 PolarHBondContact O-N 2.97Å; I290-Q292 HydrophobicContact CG2-CB 3.87Å; I290-Q292 HydrophobicContact CG2-CG 4.46Å; I290-Q292 PolarHBondContact O-N 3.35Å; I290-R590 HydrophobicContact CD1-CG 3.51Å
291E37.3Very low34Very low121 Ų121115 Ų11557%0.56560%0.598SS**  trans-67.23.6168.6-76.3-171.8151.300111.1I289 R293 I294I289-E291 HydrophobicContact CB-CG 4.27Å; I289-E291 HydrophobicContact CG2-CG 3.91Å; I289-E291 PolarHBondContact O-N 2.87Å; E291-R293 PolarHBondContact O-N 2.59Å; E291-I294 PolarHBondContact O-N 3.33Å
292Q34.1Very low34.2Very low162 Ų162111.9 Ų111.976%0.75759%0.589SS**THydrogen-bonded Turntrans-75.123.7-176.6-64.1-173.4-26.300115.1I290I290-Q292 HydrophobicContact CG2-CB 3.87Å; I290-Q292 HydrophobicContact CG2-CG 4.46Å; I290-Q292 PolarHBondContact O-N 3.35Å
293R31.7Very low34.4Very low186 Ų186110.5 Ų110.570%0.70258%0.581SS**THydrogen-bonded Turntrans-130.915.9158.1-73.6-166.1-177.41793.3114.5E291 I295E291-R293 PolarHBondContact O-N 2.59Å; R293-I295 PolarHBondContact O-N 2.85Å; R293-I295 VanDerWaalsContact O-N 3.12Å
294I29.7Very low34.5Very low119 Ų119110 Ų11061%0.6159%0.588SS**  trans-8272.5148.6-49177.7000105.3E291 D296E291-I294 PolarHBondContact O-N 3.33Å; I294-D296 PolarHBondContact O-N 3.23Å
295I27.9Very low35.2Very low117 Ų117104.9 Ų104.960%0.657%0.574SS**  trans-60.1124.5154.2-60.7173.8000102.8R293 I297R293-I295 PolarHBondContact O-N 2.85Å; R293-I295 VanDerWaalsContact O-N 3.12Å; I295-I297 PolarHBondContact O-N 3.3Å
296D26.6Very low36.4Very low147 Ų147110.8 Ų110.879%0.78659%0.593SS**  trans-42100.6164.1-77.6-45.4000106.2I294 P298I294-D296 PolarHBondContact O-N 3.23Å; D296-P298 WeakPolarHBondContact O-CD 3.29Å
297I31.6Very low38.5Very low81 Ų81108.8 Ų108.842%0.41558%0.578SS.*  trans-61.6111.1-178.8-64.9158.4000101.7I295 D299 P645 L646I295-I297 PolarHBondContact O-N 3.3Å; I297-D299 PolarHBondContact O-N 3.31Å; I297-P645 HydrophobicContact CD1-CB 4.37Å; I297-P645 HydrophobicContact CD1-CG 3.6Å; I297-P645 HydrophobicContact CG2-CB 4Å; I297-P645 HydrophobicContact CG2-CG 4.38Å; I297-L646 HydrophobicContact CD1-CG 4.49Å; I297-L646 HydrophobicContact CG1-CD2 4.19Å
298P25.9Very low40.9Very low85 Ų85108.3 Ų108.355%0.55258%0.579SS**  trans-53.4145.4173.2-16.329.7000105.6D296 I300D296-P298 WeakPolarHBondContact O-CD 3.29Å; P298-I300 HydrophobicContact CB-CG1 4.4Å; P298-I300 WeakPolarHBondContact O-CG1 3.31Å; P298-I300 PolarHBondContact O-N 3.22Å
299D29.2Very low43.7Very low170 Ų170106.1 Ų106.191%0.90956%0.562SS**  trans-57.880.1166.2-78.8-41000108I297 P301I297-D299 PolarHBondContact O-N 3.31Å; D299-P301 WeakPolarHBondContact O-CD 2.97Å
300I31.8Very low46.1Very low97 Ų97109.9 Ų109.950%0.49758%0.578SS.*  trans-72.9119.1170.1-63.1169000101.9P298 I302P298-I300 HydrophobicContact CB-CG1 4.4Å; P298-I300 WeakPolarHBondContact O-CG1 3.31Å; P298-I300 PolarHBondContact O-N 3.22Å; I300-I302 PolarHBondContact O-N 2.93Å
301P27Very low48.8Very low109 Ų109108.8 Ų108.871%0.70857%0.573SS**  trans-54.9111.6174-17.228.4000106.5D299 T303D299-P301 WeakPolarHBondContact O-CD 2.97Å; P301-T303 PolarHBondContact O-N 3.46Å
302I35.1Very low51.6Low137 Ų137103.5 Ų103.570%0.70355%0.548SS*.  trans-57.597.4168.6-60169000104I300 S304I300-I302 PolarHBondContact O-N 2.93Å; I302-S304 PolarHBondContact O-N 3.28Å; I302-S304 PolarHBondContact O-OG 2.87Å
303T34Very low54.6Low100 Ų10098.7 Ų98.761%0.61353%0.527SS*.  trans-55117.2165.149.10000103.8P301 G305P301-T303 PolarHBondContact O-N 3.46Å; T303-G305 PolarHBondContact O-N 2.74Å
304S39Very low57.7Low118 Ų11892.2 Ų92.283%0.82551%0.506SS*.  trans-72.952.1-162.4-49.20000112.4I302 R306I302-S304 PolarHBondContact O-N 3.28Å; I302-S304 PolarHBondContact O-OG 2.87Å; S304-R306 PolarHBondContact O-N 2.85Å
305G54.3Low60.8Low57 Ų5788.9 Ų88.959%0.58849%0.49SS*.  trans-84.895.2171.400000108.8T303 V307T303-G305 PolarHBondContact O-N 2.74Å; G305-V307 PolarHBondContact O-N 3.35Å
306R69.6Low64.1Low219 Ų21987.1 Ų87.183%0.82648%0.477SS*.  trans-59.1109.5167.9-73-179.7175-176.2-4.2108.5S304S304-R306 PolarHBondContact O-N 2.85Å
307V87Confident67.3Low27 Ų2780.1 Ų80.116%0.16444%0.44CS..  trans-62.8133.8169.6177.20000108.6G305 F312 F380 V643G305-V307 PolarHBondContact O-N 3.35Å; V307-F312 HydrophobicContact CG1-CE2 3.5Å; V307-F312 VanDerWaalsContact CG1-CE2 3.5Å; V307-F312 HydrophobicContact CG1-CZ 3.84Å; V307-F380 HydrophobicContact CG1-CD1 4.1Å; V307-F380 HydrophobicContact CG1-CE1 4.43Å; V307-F380 WeakPolarHBondContact O-CB 3.08Å; V307-V643 HydrophobicContact CB-CG2 4.42Å; V307-V643 HydrophobicContact CG2-CG2 3.84Å
308G92.3Very high70.2Confident12 Ų1277.1 Ų77.112%0.12443%0.425CS..  trans-142.3176.7178.500000113.2H310 D311 F312G308-H310 PolarHBondContact O-N 2.96Å; G308-D311 PolarHBondContact N-OD2 2.66Å; G308-D311 WeakPolarHBondContact O-CB 3.4Å; G308-D311 PolarHBondContact O-N 2.67Å; G308-F312 WeakPolarHBondContact O-CD2 3.1Å
309L93.4Very high73.1Confident51 Ų5173.7 Ų73.727%0.26741%0.405SS..G310 helixtrans-57.5-28.5-177.1-174.860.4000113.4D311 F312 L314 M340 F380 F387 L621L309-D311 PolarHBondContact O-N 3.05Å; L309-F312 PolarHBondContact O-N 2.85Å; L309-L314 HydrophobicContact CD1-CD2 4.48Å; L309-M340 HydrophobicContact CD1-CE 4.38Å; L309-M340 HydrophobicContact CD1-SD 4.08Å; L309-F380 HydrophobicContact CB-CE2 3.87Å; L309-F380 HydrophobicContact CB-CZ 4.37Å; L309-F380 HydrophobicContact CD1-CE2 4.48Å; L309-F380 HydrophobicContact CD1-CZ 4.43Å; L309-F380 VanDerWaalsContact N-CE2 3.34Å; L309-F387 HydrophobicContact CD1-CD1 4.37Å; L309-F387 HydrophobicContact CD1-CE1 3.84Å; L309-F387 HydrophobicContact CD1-CZ 4.35Å; L309-F387 HydrophobicContact CD2-CE1 4.4Å; L309-F387 HydrophobicContact CD2-CZ 4.15Å; L309-L621 HydrophobicContact CD2-CD1 3.8Å
310H93.6Very high75.6Confident133 Ų13368.7 Ų68.762%0.61637%0.373SS*.G310 helixtrans-70-16.7-179.761.8-79.7000113.3G308 F312 K332G308-H310 PolarHBondContact O-N 2.96Å; H310-F312 VanDerWaalsContact C-N 3.26Å; H310-F312 PolarHBondContact O-N 2.98Å; H310-K332 WeakPolarHBondContact O-CD 3.33Å; H310-K332 WeakPolarHBondContact O-CE 3.42Å; H310-K332 PolarHBondContact O-NZ 2.7Å
311D94.2Very high77.3Confident37 Ų3765.6 Ų65.620%0.19837%0.365CS..G310 helixtrans-82-3.4177.4-56.8-49.3000113G308 L309 K332G308-D311 PolarHBondContact N-OD2 2.66Å; G308-D311 WeakPolarHBondContact O-CB 3.4Å; G308-D311 PolarHBondContact O-N 2.67Å; L309-D311 PolarHBondContact O-N 3.05Å; D311-K332 WeakPolarHBondContact O-CB 3.1Å; D311-K332 WeakPolarHBondContact O-CG 3.3Å; D311-K332 PolarHBondContact O-N 2.67Å
312F96.3Very high79Confident9 Ų962 Ų624%0.03934%0.343CS..EExtended strand (participates in β ladder)trans-121.5144.4-176.6-61.4-89.1000112.7V307 G308 L309 H310 V329 E330 H331 K332 M340 F380 V389V307-F312 HydrophobicContact CG1-CE2 3.5Å; V307-F312 VanDerWaalsContact CG1-CE2 3.5Å; V307-F312 HydrophobicContact CG1-CZ 3.84Å; G308-F312 WeakPolarHBondContact O-CD2 3.1Å; L309-F312 PolarHBondContact O-N 2.85Å; H310-F312 VanDerWaalsContact C-N 3.26Å; H310-F312 PolarHBondContact O-N 2.98Å; F312-V329 HydrophobicContact CB-CB 4.36Å; F312-V329 HydrophobicContact CD1-CB 4.27Å; F312-V329 HydrophobicContact CD1-CG2 3.8Å; F312-V329 HydrophobicContact CE1-CG2 4.4Å; F312-E330 CarbonylContact C-O 3.41Å; F312-E330 VanDerWaalsContact CA-O 3.27Å; F312-E330 WeakPolarHBondContact CA-O 3.47Å; F312-H331 HydrophobicContact CD1-CB 4.11Å; F312-H331 HydrophobicContact CE1-CB 3.83Å; F312-H331 AromaticContact CE1-CD2 3.63Å; F312-H331 AromaticContact CZ-CD2 3.72Å; F312-K332 WeakPolarHBondContact O-CE 3.39Å; F312-M340 HydrophobicContact CB-CE 3.8Å; F312-M340 HydrophobicContact CD1-CE 4.02Å; F312-M340 HydrophobicContact CD2-CE 3.65Å; F312-M340 HydrophobicContact CE2-CE 4.25Å; F312-M340 HydrophobicContact CG-CE 3.53Å; F312-F380 HydrophobicContact CD2-CE1 4.09Å; F312-F380 HydrophobicContact CD2-CZ 4.23Å; F312-F380 HydrophobicContact CE2-CD1 4.46Å; F312-F380 AromaticContact CE2-CE1 3.64Å; F312-F380 HydrophobicContact CE2-CE1 3.64Å; F312-F380 HydrophobicContact CE2-CZ 4.23Å; F312-F380 HydrophobicContact CZ-CE1 4.43Å; F312-V389 HydrophobicContact CE1-CG1 3.86Å; F312-V389 HydrophobicContact CE1-CG2 4.18Å; F312-V389 HydrophobicContact CE2-CG2 4.16Å; F312-V389 HydrophobicContact CZ-CB 4.48Å; F312-V389 HydrophobicContact CZ-CG1 4.08Å; F312-V389 HydrophobicContact CZ-CG2 3.75Å
313N96.3Very high80.7Confident61 Ų6158.3 Ų58.333%0.32632%0.32SS..EExtended strand (participates in β ladder)trans-93.5122.9161.8-67.1-36.4000108.5L315 V329 E330 K332N313-L315 HydrophobicContact CB-CD2 4.17Å; N313-L315 PolarHBondContact O-N 3.35Å; N313-V329 CarbonylContact O-C 3.6Å; N313-V329 WeakPolarHBondContact O-CA 3.45Å; N313-E330 HydrophobicContact CB-CB 4.25Å; N313-E330 PolarHBondContact N-O 2.99Å; N313-E330 PolarHBondContact ND2-OE2 2.85Å; N313-E330 PolarHBondContact O-N 3.39Å; N313-K332 WeakPolarHBondContact OD1-CE 3.41Å
314L96.5Very high83Confident51 Ų5154 Ų5427%0.26730%0.295SS..EExtended strand (participates in β ladder)trans-77120.5170.1-57.6-177.4000108.7L309 F327 V329 M340 V619 L621L309-L314 HydrophobicContact CD1-CD2 4.48Å; L314-F327 HydrophobicContact CD1-CE1 4.5Å; L314-F327 HydrophobicContact CD2-CB 4.36Å; L314-F327 HydrophobicContact CD2-CG 4.4Å; L314-V329 HydrophobicContact CD2-CG1 3.5Å; L314-V329 VanDerWaalsContact CD2-CG1 3.5Å; L314-M340 HydrophobicContact CD2-SD 3.99Å; L314-V619 HydrophobicContact CB-CG1 3.66Å; L314-L621 HydrophobicContact CD1-CG 4.27Å
315L96.4Very high85.4Confident49 Ų4949.4 Ų49.426%0.25726%0.26SS..EExtended strand (participates in β ladder)trans-99.5-55.6-174.6-59.1-175.6000112.5N313 Q328 E330 I337 V619N313-L315 HydrophobicContact CB-CD2 4.17Å; N313-L315 PolarHBondContact O-N 3.35Å; L315-Q328 HydrophobicContact CB-CB 4.46Å; L315-Q328 HydrophobicContact CB-CG 4.46Å; L315-Q328 WeakPolarHBondContact CB-O 3.36Å; L315-Q328 HydrophobicContact CD1-CG 4.25Å; L315-Q328 PolarHBondContact N-O 2.7Å; L315-E330 HydrophobicContact CD1-CB 4.05Å; L315-E330 HydrophobicContact CD2-CB 4.43Å; L315-E330 HydrophobicContact CG-CB 4.35Å; L315-I337 HydrophobicContact CD1-CD1 3.77Å; L315-V619 WeakPolarHBondContact O-CG2 3.08Å
316K96.7Very high87.3Confident79 Ų7948 Ų4834%0.34324%0.24SC..EExtended strand (participates in β ladder)trans-149.7153.2-175.4-77.8-62.1-161.3161.30111.4I318 F327 Q328 L607 T615 V619K316-I318 HydrophobicContact CB-CG2 4.49Å; K316-F327 CarbonylContact O-C 3.54Å; K316-F327 WeakPolarHBondContact O-CA 3.29Å; K316-Q328 HydrophobicContact CB-CB 4.45Å; K316-Q328 PolarHBondContact N-O 2.9Å; K316-Q328 PolarHBondContact O-N 2.94Å; K316-L607 HydrophobicContact CB-CD1 3.54Å; K316-L607 HydrophobicContact CG-CD1 3.49Å; K316-L607 VanDerWaalsContact CG-CD1 3.49Å; K316-T615 WeakPolarHBondContact CD-O 3.43Å; K316-T615 PolarHBondContact NZ-O 3.5Å; K316-V619 HydrophobicContact CD-CG2 4.26Å
317V94.1Very high88.7Confident0 Ų037.6 Ų37.60%020%0.201CC..EExtended strand (participates in β ladder)trans-82.9128.4166.3-176.20000107.2K325 F327 F614 T615 E617V317-K325 HydrophobicContact CG1-CD 4.45Å; V317-K325 VanDerWaalsContact CG1-CE 3.45Å; V317-K325 HydrophobicContact CG1-CG 4.15Å; V317-F327 HydrophobicContact CG2-CD1 3.97Å; V317-F327 HydrophobicContact CG2-CE1 3.74Å; V317-F614 WeakPolarHBondContact CB-O 3.44Å; V317-F614 HydrophobicContact CG1-CB 4.41Å; V317-F614 CarbonylContact O-C 3.59Å; V317-F614 VanDerWaalsContact O-C 3.25Å; V317-T615 VanDerWaalsContact O-CA 3.26Å; V317-T615 WeakPolarHBondContact O-CA 3.16Å; V317-T615 PolarHBondContact O-N 3.38Å; V317-E617 HydrophobicContact CB-CB 4.1Å; V317-E617 HydrophobicContact CG1-CB 4.46Å; V317-E617 HydrophobicContact CG2-CB 3.98Å
318I92.9Very high89.2Confident18 Ų1836.6 Ų36.69%0.09219%0.194CC..EExtended strand (participates in β ladder)trans-118.4-11-175.861.4173.4000113.1K316 V326 Q328 A339 F392 L607 F610K316-I318 HydrophobicContact CB-CG2 4.49Å; I318-V326 HydrophobicContact CD1-CG1 3.87Å; I318-V326 HydrophobicContact CG1-CB 4.08Å; I318-V326 HydrophobicContact CG1-CG1 3.73Å; I318-V326 PolarHBondContact N-O 2.62Å; I318-Q328 HydrophobicContact CG2-CB 3.81Å; I318-A339 HydrophobicContact CD1-CB 3.97Å; I318-F392 HydrophobicContact CD1-CD2 3.97Å; I318-F392 HydrophobicContact CD1-CE2 3.73Å; I318-L607 HydrophobicContact CG2-CD1 4.46Å; I318-L607 HydrophobicContact CG2-CD2 3.63Å; I318-F610 HydrophobicContact CB-CD1 3.75Å; I318-F610 HydrophobicContact CB-CE1 3.91Å; I318-F610 HydrophobicContact CD1-CE1 4.2Å; I318-F610 HydrophobicContact CG2-CD1 4.24Å; I318-F610 HydrophobicContact CG2-CE1 4.38Å
319G85.8Confident89.4Confident13 Ų1336 Ų3613%0.13419%0.188CC..EExtended strand (participates in β ladder)trans-173.7164.617700000113.6V326G319-V326 PolarHBondContact N-O 3.31Å; G319-V326 PolarHBondContact O-N 2.85Å
320R81.1Confident89.6Confident65 Ų6534.5 Ų34.525%0.24518%0.18CC..EExtended strand (participates in β ladder)trans-141.6125.5173.6-77.4-176.4177.9-116.25110.3A324 K325 F614 E617R320-A324 WeakPolarHBondContact CA-O 3.38Å; R320-K325 HydrophobicContact CG-CG 4.23Å; R320-F614 HydrophobicContact CB-CE1 4.31Å; R320-E617 WeakPolarHBondContact CD-OE1 3.33Å; R320-E617 IonicContact CZ-OE1 2.72Å; R320-E617 IonicContact CZ-OE2 3.72Å; R320-E617 VanDerWaalsContact NE-CD 3.28Å; R320-E617 IonicContact NE-OE1 2.85Å; R320-E617 PolarHBondContact NE-OE1 2.77Å; R320-E617 IonicContact NE-OE2 3.8Å; R320-E617 PolarHBondContact NE-OE2 3.49Å; R320-E617 IonicContact NH2-OE1 3.71Å; R320-E617 IonicContact NH2-OE2 3.61Å; R320-E617 PolarHBondContact NH2-OE2 3.39Å
321G67.1Low89.6Confident32 Ų3229.1 Ų29.133%0.3316%0.155SC..  trans-99-176.7167.500000112.1Y323 A324G321-Y323 PolarHBondContact O-N 2.76Å; G321-A324 PolarHBondContact N-O 2.92Å
322S63.5Low89.5Confident35 Ų3531.8 Ų31.825%0.24517%0.165CC..SBendtrans-60.4-28.9178.2-61.10000113.9A93A93-S322 PolarHBondContact O-OG 3.15Å
323Y70.6Confident89.2Confident58 Ų5835.5 Ų35.523%0.22719%0.19CC..SBendtrans-128.8-5.4-174.2-57.6-84.3000113.3R95 G321R95-Y323 HydrophobicContact CB-CE2 4.43Å; R95-Y323 PolarHBondContact O-OH 2.85Å; G321-Y323 PolarHBondContact O-N 2.76Å
324A83Confident88.9Confident9 Ų934.1 Ų34.17%0.07418%0.184CC..EExtended strand (participates in β ladder)trans-133.2144.9-168.300000112.2R320 G321 K341 V342 I343R320-A324 WeakPolarHBondContact CA-O 3.38Å; G321-A324 PolarHBondContact N-O 2.92Å; A324-K341 HydrophobicContact CB-CD 4.2Å; A324-K341 VanDerWaalsContact CB-CE 3.48Å; A324-K341 HydrophobicContact CB-CG 3.67Å; A324-V342 CarbonylContact C-O 3.44Å; A324-V342 VanDerWaalsContact CA-O 3.23Å; A324-V342 WeakPolarHBondContact CA-O 3.41Å; A324-I343 HydrophobicContact CB-CG1 4.06Å
325K89.8Confident88.6Confident22 Ų2236.4 Ų36.410%0.09620%0.196CC..EExtended strand (participates in β ladder)trans-111.6133.5165.6-173.1171.8177-176.60108V317 R320 F327 V342 E617 P618 V620V317-K325 HydrophobicContact CG1-CD 4.45Å; V317-K325 VanDerWaalsContact CG1-CE 3.45Å; V317-K325 HydrophobicContact CG1-CG 4.15Å; R320-K325 HydrophobicContact CG-CG 4.23Å; K325-F327 HydrophobicContact CB-CE2 4.06Å; K325-F327 HydrophobicContact CD-CE1 4.3Å; K325-F327 HydrophobicContact CD-CE2 3.83Å; K325-F327 HydrophobicContact CD-CZ 3.5Å; K325-F327 VanDerWaalsContact CD-CZ 3.5Å; K325-F327 VanDerWaalsContact CE-CZ 3.45Å; K325-F327 HydrophobicContact CG-CD2 4.37Å; K325-F327 HydrophobicContact CG-CE2 3.67Å; K325-F327 HydrophobicContact CG-CZ 3.85Å; K325-V342 PolarHBondContact N-O 3.35Å; K325-V342 WeakPolarHBondContact O-CB 3.18Å; K325-V342 PolarHBondContact O-N 3.32Å; K325-E617 IonicContact NZ-OE2 2.85Å; K325-P618 PolarHBondContact NZ-O 2.84Å; K325-V620 PolarHBondContact NZ-O 3.2Å
326V94.2Very high88.5Confident29 Ų2937.6 Ų37.618%0.17620%0.197CC..EExtended strand (participates in β ladder)trans-110.8128.2-176.6-167.40000109.2I318 G319 A339 M340 K341I318-V326 HydrophobicContact CD1-CG1 3.87Å; I318-V326 HydrophobicContact CG1-CB 4.08Å; I318-V326 HydrophobicContact CG1-CG1 3.73Å; I318-V326 PolarHBondContact N-O 2.62Å; G319-V326 PolarHBondContact N-O 3.31Å; G319-V326 PolarHBondContact O-N 2.85Å; V326-A339 HydrophobicContact CG1-CB 4.2Å; V326-M340 WeakPolarHBondContact CA-O 3.06Å; V326-K341 HydrophobicContact CG2-CB 4.4Å; V326-K341 HydrophobicContact CG2-CG 4.28Å
327F97.2Very high88.4Confident0 Ų034.8 Ų34.80%019%0.186CC..EExtended strand (participates in β ladder)trans-113.5145.1178.1-62.1-97.6000110.4L314 K316 V317 K325 V329 A339 M340 V342 V619 L621L314-F327 HydrophobicContact CD1-CE1 4.5Å; L314-F327 HydrophobicContact CD2-CB 4.36Å; L314-F327 HydrophobicContact CD2-CG 4.4Å; K316-F327 CarbonylContact O-C 3.54Å; K316-F327 WeakPolarHBondContact O-CA 3.29Å; V317-F327 HydrophobicContact CG2-CD1 3.97Å; V317-F327 HydrophobicContact CG2-CE1 3.74Å; K325-F327 HydrophobicContact CB-CE2 4.06Å; K325-F327 HydrophobicContact CD-CE1 4.3Å; K325-F327 HydrophobicContact CD-CE2 3.83Å; K325-F327 HydrophobicContact CD-CZ 3.5Å; K325-F327 VanDerWaalsContact CD-CZ 3.5Å; K325-F327 VanDerWaalsContact CE-CZ 3.45Å; K325-F327 HydrophobicContact CG-CD2 4.37Å; K325-F327 HydrophobicContact CG-CE2 3.67Å; K325-F327 HydrophobicContact CG-CZ 3.85Å; F327-V329 HydrophobicContact CB-CG1 3.88Å; F327-A339 CarbonylContact O-C 3.43Å; F327-A339 VanDerWaalsContact O-CA 3.31Å; F327-A339 WeakPolarHBondContact O-CA 3.14Å; F327-M340 HydrophobicContact CB-CB 4.48Å; F327-M340 PolarHBondContact N-O 3.15Å; F327-M340 PolarHBondContact O-N 2.93Å; F327-V342 HydrophobicContact CD2-CG2 3.71Å; F327-V342 HydrophobicContact CE2-CB 4.33Å; F327-V342 HydrophobicContact CE2-CG2 3.79Å; F327-V619 HydrophobicContact CD1-CG1 4.27Å; F327-V619 HydrophobicContact CE1-CG1 4.46Å; F327-L621 HydrophobicContact CE2-CD2 3.63Å; F327-L621 HydrophobicContact CZ-CD2 3.69Å
328Q97.6Very high88.6Confident5 Ų535.5 Ų35.52%0.02319%0.189CC..EExtended strand (participates in β ladder)trans-75.6131.8154.4-174.5-170.458.600107.6L315 K316 I318 I337 F392 R605L315-Q328 HydrophobicContact CB-CB 4.46Å; L315-Q328 HydrophobicContact CB-CG 4.46Å; L315-Q328 WeakPolarHBondContact CB-O 3.36Å; L315-Q328 HydrophobicContact CD1-CG 4.25Å; L315-Q328 PolarHBondContact N-O 2.7Å; K316-Q328 HydrophobicContact CB-CB 4.45Å; K316-Q328 PolarHBondContact N-O 2.9Å; K316-Q328 PolarHBondContact O-N 2.94Å; I318-Q328 HydrophobicContact CG2-CB 3.81Å; Q328-I337 HydrophobicContact CG-CG2 3.58Å; Q328-F392 HydrophobicContact CB-CE2 4.42Å; Q328-F392 HydrophobicContact CG-CD2 4.41Å; Q328-F392 HydrophobicContact CG-CE2 4.21Å; Q328-F392 HydrophobicContact CG-CZ 4.3Å; Q328-F392 VanDerWaalsContact NE2-CE1 3.3Å; Q328-F392 VanDerWaalsContact NE2-CZ 3.29Å; Q328-R605 PolarHBondContact NE2-O 2.66Å; Q328-R605 VanDerWaalsContact NE2-O 3.08Å
329V97.7Very high88.8Confident0 Ų035 Ų350%019%0.187CC..EExtended strand (participates in β ladder)trans-133151.9-178.5-56.40000110.7F312 N313 L314 F327 I337 Y338 M340F312-V329 HydrophobicContact CB-CB 4.36Å; F312-V329 HydrophobicContact CD1-CB 4.27Å; F312-V329 HydrophobicContact CD1-CG2 3.8Å; F312-V329 HydrophobicContact CE1-CG2 4.4Å; N313-V329 CarbonylContact O-C 3.6Å; N313-V329 WeakPolarHBondContact O-CA 3.45Å; L314-V329 HydrophobicContact CD2-CG1 3.5Å; L314-V329 VanDerWaalsContact CD2-CG1 3.5Å; F327-V329 HydrophobicContact CB-CG1 3.88Å; V329-I337 CarbonylContact O-C 3.57Å; V329-I337 WeakPolarHBondContact O-CA 3.49Å; V329-Y338 WeakPolarHBondContact CG2-O 3.15Å; V329-Y338 PolarHBondContact N-O 3.46Å; V329-Y338 PolarHBondContact O-N 3.42Å; V329-M340 HydrophobicContact CB-CB 4.38Å; V329-M340 HydrophobicContact CB-CE 4.35Å; V329-M340 HydrophobicContact CG1-CB 3.49Å; V329-M340 VanDerWaalsContact CG1-CB 3.49Å; V329-M340 HydrophobicContact CG1-CE 3.96Å; V329-M340 HydrophobicContact CG1-CG 4.37Å; V329-M340 HydrophobicContact CG1-SD 4.05Å; V329-M340 HydrophobicContact CG2-CB 3.92Å; V329-M340 HydrophobicContact CG2-CE 4.13Å
330E96.6Very high89.3Confident20 Ų2034.3 Ų34.39%0.09318%0.18CC..EExtended strand (participates in β ladder)trans-110.5126170.7171-172.5-127.300108.6F312 N313 L315 K332 R336 I337 R605F312-E330 CarbonylContact C-O 3.41Å; F312-E330 VanDerWaalsContact CA-O 3.27Å; F312-E330 WeakPolarHBondContact CA-O 3.47Å; N313-E330 HydrophobicContact CB-CB 4.25Å; N313-E330 PolarHBondContact N-O 2.99Å; N313-E330 PolarHBondContact ND2-OE2 2.85Å; N313-E330 PolarHBondContact O-N 3.39Å; L315-E330 HydrophobicContact CD1-CB 4.05Å; L315-E330 HydrophobicContact CD2-CB 4.43Å; L315-E330 HydrophobicContact CG-CB 4.35Å; E330-K332 PolarHBondContact O-N 3.02Å; E330-R336 CarbonylContact C-O 3.6Å; E330-R336 WeakPolarHBondContact CA-O 3.38Å; E330-I337 HydrophobicContact CB-CD1 3.81Å; E330-I337 HydrophobicContact CG-CD1 4.26Å; E330-R605 IonicContact OE1-CZ 3.89Å; E330-R605 IonicContact OE1-NH1 3.03Å; E330-R605 IonicContact OE1-NH2 2.75Å; E330-R605 PolarHBondContact OE1-NH2 3.28Å
331H94.4Very high90Very high19 Ų1932.1 Ų32.19%0.08817%0.172CC..EExtended strand (participates in β ladder)trans-74.4112172.2-175.7-132.5000108.8F312 P333 T334 N335 R336 Y338 D651F312-H331 HydrophobicContact CD1-CB 4.11Å; F312-H331 HydrophobicContact CE1-CB 3.83Å; F312-H331 AromaticContact CE1-CD2 3.63Å; F312-H331 AromaticContact CZ-CD2 3.72Å; H331-P333 VanDerWaalsContact C-CD 3.49Å; H331-P333 WeakPolarHBondContact NE2-CD 3.29Å; H331-T334 PolarHBondContact ND1-OG1 3.08Å; H331-T334 PolarHBondContact O-N 3.12Å; H331-N335 WeakPolarHBondContact O-CA 3.41Å; H331-N335 PolarHBondContact O-N 3.26Å; H331-R336 PolarHBondContact N-O 3.35Å; H331-Y338 HydrophobicContact CB-CD2 3.98Å; H331-Y338 HydrophobicContact CB-CE2 3.71Å; H331-D651 IonicContact ND1-OD2 3.19Å
332K92.9Very high91.3Very high94 Ų9430.9 Ų30.941%0.40916%0.159SC..THydrogen-bonded Turntrans-57.1-41.4-171.7-67172177.7170.60113.9H310 D311 F312 N313 E330 T334H310-K332 WeakPolarHBondContact O-CD 3.33Å; H310-K332 WeakPolarHBondContact O-CE 3.42Å; H310-K332 PolarHBondContact O-NZ 2.7Å; D311-K332 WeakPolarHBondContact O-CB 3.1Å; D311-K332 WeakPolarHBondContact O-CG 3.3Å; D311-K332 PolarHBondContact O-N 2.67Å; F312-K332 WeakPolarHBondContact O-CE 3.39Å; N313-K332 WeakPolarHBondContact OD1-CE 3.41Å; E330-K332 PolarHBondContact O-N 3.02Å; K332-T334 VanDerWaalsContact C-N 3.33Å; K332-T334 PolarHBondContact O-N 3.29Å
333P89.1Confident92.6Very high87 Ų8729.6 Ų29.657%0.56515%0.149SC*.THydrogen-bonded Turntrans-65.1-34.3-179.6-23.335.7000113.4H331H331-P333 VanDerWaalsContact C-CD 3.49Å; H331-P333 WeakPolarHBondContact NE2-CD 3.29Å
334T89.3Confident93.5Very high32 Ų3229.3 Ų29.320%0.19615%0.149CC..THydrogen-bonded Turntrans-114-5.3-169.465.10000113.6H331 K332 R336 D651H331-T334 PolarHBondContact ND1-OG1 3.08Å; H331-T334 PolarHBondContact O-N 3.12Å; K332-T334 VanDerWaalsContact C-N 3.33Å; K332-T334 PolarHBondContact O-N 3.29Å; T334-R336 PolarHBondContact O-N 3Å; T334-D651 WeakPolarHBondContact CB-OD2 3.22Å; T334-D651 HydrophobicContact CG2-CB 3.73Å; T334-D651 VanDerWaalsContact CG2-OD2 3.27Å; T334-D651 WeakPolarHBondContact CG2-OD2 3.38Å; T334-D651 PolarHBondContact OG1-OD2 3.37Å
335N91.2Very high93.7Very high98 Ų9828.9 Ų28.952%0.52415%0.145SC..THydrogen-bonded Turntrans54.716.3-173.3-57.9-57.3000114.3H331H331-N335 WeakPolarHBondContact O-CA 3.41Å; H331-N335 PolarHBondContact O-N 3.26Å
336R93.4Very high93.5Very high74 Ų7430.8 Ų30.828%0.27915%0.154SC..EExtended strand (participates in β ladder)trans-81.6145.1-179.9-69.8-172.8-179.8-170.81.6111.4E330 H331 T334 Y338 L650 D651E330-R336 CarbonylContact C-O 3.6Å; E330-R336 WeakPolarHBondContact CA-O 3.38Å; H331-R336 PolarHBondContact N-O 3.35Å; T334-R336 PolarHBondContact O-N 3Å; R336-Y338 HydrophobicContact CB-CD2 4.46Å; R336-Y338 HydrophobicContact CB-CE2 3.61Å; R336-L650 PolarHBondContact NH2-O 3.47Å; R336-D651 WeakPolarHBondContact CD-OD1 3.28Å; R336-D651 IonicContact CZ-OD1 2.92Å; R336-D651 IonicContact NE-OD1 3.94Å; R336-D651 PolarHBondContact NE-OD1 3.33Å; R336-D651 IonicContact NH1-OD1 3.92Å; R336-D651 PolarHBondContact NH1-OD1 3.5Å; R336-D651 IonicContact NH2-OD1 3.75Å
337I95.9Very high92.8Very high20 Ų2030.2 Ų30.210%0.10315%0.151CC..EExtended strand (participates in β ladder)trans-92.5132.8-179.8-55.4-56.5000110.5L315 Q328 V329 E330 F392 D604 R605L315-I337 HydrophobicContact CD1-CD1 3.77Å; Q328-I337 HydrophobicContact CG-CG2 3.58Å; V329-I337 CarbonylContact O-C 3.57Å; V329-I337 WeakPolarHBondContact O-CA 3.49Å; E330-I337 HydrophobicContact CB-CD1 3.81Å; E330-I337 HydrophobicContact CG-CD1 4.26Å; I337-F392 HydrophobicContact CB-CD1 4.5Å; I337-F392 HydrophobicContact CG2-CB 4.07Å; I337-F392 HydrophobicContact CG2-CD1 3.56Å; I337-F392 HydrophobicContact CG2-CE1 4.19Å; I337-F392 HydrophobicContact CG2-CG 3.86Å; I337-D604 HydrophobicContact CG1-CB 4.45Å; I337-D604 WeakPolarHBondContact CG1-OD2 3.06Å; I337-R605 HydrophobicContact CD1-CG 3.74Å; I337-R605 HydrophobicContact CG1-CG 3.78Å
338Y96.7Very high92Very high16 Ų1631.2 Ų31.26%0.06316%0.156CC..EExtended strand (participates in β ladder)trans-132.7164.1176.2-62-83.3000110.6V329 H331 R336 H377 V389 I390 D651V329-Y338 WeakPolarHBondContact CG2-O 3.15Å; V329-Y338 PolarHBondContact N-O 3.46Å; V329-Y338 PolarHBondContact O-N 3.42Å; H331-Y338 HydrophobicContact CB-CD2 3.98Å; H331-Y338 HydrophobicContact CB-CE2 3.71Å; R336-Y338 HydrophobicContact CB-CD2 4.46Å; R336-Y338 HydrophobicContact CB-CE2 3.61Å; Y338-H377 HydrophobicContact CD1-CB 4.1Å; Y338-H377 HydrophobicContact CE1-CB 3.95Å; Y338-H377 AromaticContact CE1-CD2 3.61Å; Y338-H377 AromaticContact CE1-CG 3.85Å; Y338-H377 AromaticContact CZ-CD2 3.6Å; Y338-V389 HydrophobicContact CD1-CG1 4.16Å; Y338-V389 HydrophobicContact CD2-CG1 4.29Å; Y338-V389 HydrophobicContact CG-CG1 3.76Å; Y338-I390 WeakPolarHBondContact CB-O 3.38Å; Y338-D651 PolarHBondContact OH-OD2 3.41Å
339A96.9Very high90.8Very high6 Ų637.1 Ų37.15%0.0519%0.187CC..EExtended strand (participates in β ladder)trans-94.3139.816200000109I318 V326 F327 V389 I390 F392I318-A339 HydrophobicContact CD1-CB 3.97Å; V326-A339 HydrophobicContact CG1-CB 4.2Å; F327-A339 CarbonylContact O-C 3.43Å; F327-A339 VanDerWaalsContact O-CA 3.31Å; F327-A339 WeakPolarHBondContact O-CA 3.14Å; A339-V389 WeakPolarHBondContact O-CA 3.38Å; A339-I390 HydrophobicContact CB-CD1 4.26Å; A339-I390 HydrophobicContact CB-CG1 3.72Å; A339-I390 PolarHBondContact N-O 3.49Å; A339-I390 WeakPolarHBondContact O-CG1 3.41Å; A339-I390 PolarHBondContact O-N 3.05Å; A339-F392 HydrophobicContact CB-CD2 4.28Å
340M97.3Very high89.7Confident0 Ų039.8 Ų39.80%020%0.202CC..EExtended strand (participates in β ladder)trans-120.1106177.9-176.1-176.1-75.400109.2L309 F312 L314 V326 F327 V329 V342 F380 F387 F388 V389L309-M340 HydrophobicContact CD1-CE 4.38Å; L309-M340 HydrophobicContact CD1-SD 4.08Å; F312-M340 HydrophobicContact CB-CE 3.8Å; F312-M340 HydrophobicContact CD1-CE 4.02Å; F312-M340 HydrophobicContact CD2-CE 3.65Å; F312-M340 HydrophobicContact CE2-CE 4.25Å; F312-M340 HydrophobicContact CG-CE 3.53Å; L314-M340 HydrophobicContact CD2-SD 3.99Å; V326-M340 WeakPolarHBondContact CA-O 3.06Å; F327-M340 HydrophobicContact CB-CB 4.48Å; F327-M340 PolarHBondContact N-O 3.15Å; F327-M340 PolarHBondContact O-N 2.93Å; V329-M340 HydrophobicContact CB-CB 4.38Å; V329-M340 HydrophobicContact CB-CE 4.35Å; V329-M340 HydrophobicContact CG1-CB 3.49Å; V329-M340 VanDerWaalsContact CG1-CB 3.49Å; V329-M340 HydrophobicContact CG1-CE 3.96Å; V329-M340 HydrophobicContact CG1-CG 4.37Å; V329-M340 HydrophobicContact CG1-SD 4.05Å; V329-M340 HydrophobicContact CG2-CB 3.92Å; V329-M340 HydrophobicContact CG2-CE 4.13Å; M340-V342 HydrophobicContact CG-CG2 3.96Å; M340-V342 HydrophobicContact SD-CG2 4.28Å; M340-F380 HydrophobicContact CE-CE1 4.07Å; M340-F380 HydrophobicContact CE-CZ 3.69Å; M340-F380 HydrophobicContact SD-CZ 4.24Å; M340-F387 HydrophobicContact CG-CD1 4.07Å; M340-F387 HydrophobicContact SD-CD1 3.58Å; M340-F387 VanDerWaalsContact SD-CD1 3.58Å; M340-F387 HydrophobicContact SD-CE1 4.16Å; M340-F388 CarbonylContact C-O 3.54Å; M340-F388 VanDerWaalsContact CA-O 3.32Å; M340-F388 WeakPolarHBondContact CA-O 3.37Å; M340-V389 HydrophobicContact CE-CG2 4.13Å
341K95.6Very high88.6Confident18 Ų1846.2 Ų46.28%0.07823%0.232CC..EExtended strand (participates in β ladder)trans-84.8120.9173.9-175.8175.2-179.7176.50108.9A324 V326 E360 F387 F388 D454A324-K341 HydrophobicContact CB-CD 4.2Å; A324-K341 VanDerWaalsContact CB-CE 3.48Å; A324-K341 HydrophobicContact CB-CG 3.67Å; V326-K341 HydrophobicContact CG2-CB 4.4Å; V326-K341 HydrophobicContact CG2-CG 4.28Å; K341-E360 IonicContact NZ-OE1 3.63Å; K341-E360 PolarHBondContact NZ-OE1 3.42Å; K341-E360 IonicContact NZ-OE2 3.58Å; K341-F387 WeakPolarHBondContact O-CA 3.38Å; K341-F388 HydrophobicContact CB-CB 4.27Å; K341-F388 PolarHBondContact N-O 3.44Å; K341-F388 PolarHBondContact O-N 2.9Å; K341-D454 IonicContact NZ-OD1 2.95Å; K341-D454 PolarHBondContact NZ-OD1 2.95Å
342V95Very high87.6Confident7 Ų750.9 Ų50.94%0.04225%0.253CS..EExtended strand (participates in β ladder)trans-115.3116.4-173.2-173.20000110A324 K325 F327 M340 R385 L386 F387 L621A324-V342 CarbonylContact C-O 3.44Å; A324-V342 VanDerWaalsContact CA-O 3.23Å; A324-V342 WeakPolarHBondContact CA-O 3.41Å; K325-V342 PolarHBondContact N-O 3.35Å; K325-V342 WeakPolarHBondContact O-CB 3.18Å; K325-V342 PolarHBondContact O-N 3.32Å; F327-V342 HydrophobicContact CD2-CG2 3.71Å; F327-V342 HydrophobicContact CE2-CB 4.33Å; F327-V342 HydrophobicContact CE2-CG2 3.79Å; M340-V342 HydrophobicContact CG-CG2 3.96Å; M340-V342 HydrophobicContact SD-CG2 4.28Å; V342-R385 HydrophobicContact CG1-CB 4.16Å; V342-R385 HydrophobicContact CG1-CG 4.09Å; V342-L386 WeakPolarHBondContact CA-O 3.35Å; V342-F387 HydrophobicContact CB-CD1 4.38Å; V342-F387 HydrophobicContact CB-CE1 4.41Å; V342-F387 HydrophobicContact CG1-CD1 4.04Å; V342-F387 HydrophobicContact CG1-CE1 3.71Å; V342-F387 HydrophobicContact CG1-CZ 4.18Å; V342-F387 HydrophobicContact CG2-CD1 3.69Å; V342-F387 HydrophobicContact CG2-CE1 3.85Å; V342-L621 HydrophobicContact CG1-CD2 4Å; V342-L621 HydrophobicContact CG2-CD2 4.35Å
343I90.8Very high86.9Confident8 Ų847.6 Ų47.64%0.04124%0.24CC..EExtended strand (participates in β ladder)trans-108.3133.8178-54.3-177.2000108.5A324 I348 R385 L386 F388A324-I343 HydrophobicContact CB-CG1 4.06Å; I343-I348 HydrophobicContact CG2-CD1 4.39Å; I343-R385 CarbonylContact O-C 3.6Å; I343-R385 VanDerWaalsContact O-CA 3.23Å; I343-R385 WeakPolarHBondContact O-CA 3.49Å; I343-L386 HydrophobicContact CB-CB 4.44Å; I343-L386 PolarHBondContact N-O 3.34Å; I343-L386 PolarHBondContact O-N 3.3Å; I343-F388 HydrophobicContact CD1-CD2 4.4Å; I343-F388 HydrophobicContact CD1-CE2 3.77Å; I343-F388 HydrophobicContact CG1-CE2 4.43Å
344K88.1Confident86.6Confident51 Ų5144.7 Ų44.722%0.22222%0.22CC..EExtended strand (participates in β ladder)trans-81.8131.1174.5-61.2-172.8174.9-177.60110.1E346 T347K344-E346 HydrophobicContact CB-CG 3.95Å; K344-E346 HydrophobicContact CD-CG 4.08Å; K344-E346 WeakPolarHBondContact CD-OE1 3.3Å; K344-E346 IonicContact NZ-OE1 3.69Å; K344-E346 PolarHBondContact NZ-OE1 2.8Å; K344-E346 PolarHBondContact O-N 2.87Å; K344-E346 VanDerWaalsContact O-N 3.17Å; K344-T347 HydrophobicContact CB-CG2 4.23Å; K344-T347 PolarHBondContact O-N 3.4Å; K344-T347 PolarHBondContact O-OG1 2.91Å
345K88.6Confident86.1Confident0 Ų047.9 Ų47.90%024%0.236CC..G310 helixtrans-60.3-28.6175.8-66.8-179.8173-166.30112.1T347 I348 T382 S384 L386 M632 F637K345-T347 PolarHBondContact O-N 3.45Å; K345-T347 VanDerWaalsContact O-N 3.11Å; K345-I348 WeakPolarHBondContact O-CB 2.96Å; K345-I348 PolarHBondContact O-N 3.48Å; K345-T382 WeakPolarHBondContact CE-O 3.22Å; K345-T382 PolarHBondContact NZ-O 3.2Å; K345-T382 VanDerWaalsContact NZ-O 3.12Å; K345-S384 PolarHBondContact N-O 3.38Å; K345-L386 HydrophobicContact CD-CD2 4.48Å; K345-L386 VanDerWaalsContact CE-CD2 3.49Å; K345-L386 HydrophobicContact CG-CD2 4.22Å; K345-L386 HydrophobicContact CG-CG 4.08Å; K345-M632 HydrophobicContact CB-CE 3.64Å; K345-M632 HydrophobicContact CB-SD 3.31Å; K345-M632 WeakPolarHBondContact CB-SD 3.48Å; K345-M632 HydrophobicContact CD-SD 3.95Å; K345-M632 HydrophobicContact CG-SD 4.28Å; K345-F637 HydrophobicContact CB-CE2 4.1Å; K345-F637 HydrophobicContact CB-CZ 3.92Å; K345-F637 HydrophobicContact CD-CD2 3.69Å; K345-F637 HydrophobicContact CD-CE2 3.66Å; K345-F637 HydrophobicContact CD-CG 4.16Å; K345-F637 HydrophobicContact CD-CZ 4.12Å; K345-F637 HydrophobicContact CG-CD2 4.32Å; K345-F637 HydrophobicContact CG-CE1 4.19Å; K345-F637 HydrophobicContact CG-CE2 3.96Å; K345-F637 HydrophobicContact CG-CZ 3.88Å
346E84.3Confident85.6Confident62 Ų6245.9 Ų45.929%0.2922%0.221SC..G310 helixtrans-64.8-15.4177.773.8-176.9167.100113.9K344 L349 V628 M629 M632K344-E346 HydrophobicContact CB-CG 3.95Å; K344-E346 HydrophobicContact CD-CG 4.08Å; K344-E346 WeakPolarHBondContact CD-OE1 3.3Å; K344-E346 IonicContact NZ-OE1 3.69Å; K344-E346 PolarHBondContact NZ-OE1 2.8Å; K344-E346 PolarHBondContact O-N 2.87Å; K344-E346 VanDerWaalsContact O-N 3.17Å; E346-L349 VanDerWaalsContact O-CD2 3.32Å; E346-L349 WeakPolarHBondContact O-CD2 3.21Å; E346-V628 HydrophobicContact CB-CG1 3.97Å; E346-M629 HydrophobicContact CB-CE 4.08Å; E346-M632 VanDerWaalsContact CA-CE 3.5Å; E346-M632 HydrophobicContact CB-CE 4.09Å; E346-M632 VanDerWaalsContact N-CE 3.29Å
347T80.3Confident85.2Confident17 Ų1743 Ų4310%0.10421%0.211CC..G310 helixtrans-89.9-7.4176.264.40000113.4K344 K345K344-T347 HydrophobicContact CB-CG2 4.23Å; K344-T347 PolarHBondContact O-N 3.4Å; K344-T347 PolarHBondContact O-OG1 2.91Å; K345-T347 PolarHBondContact O-N 3.45Å; K345-T347 VanDerWaalsContact O-N 3.11Å
348I80.9Confident84.8Confident21 Ų2145.3 Ų45.311%0.10822%0.222CC..  trans-96.6100.6178.3-56.7171.7000106I343 K345 D353 I354 V357 L386 F637I343-I348 HydrophobicContact CG2-CD1 4.39Å; K345-I348 WeakPolarHBondContact O-CB 2.96Å; K345-I348 PolarHBondContact O-N 3.48Å; I348-D353 HydrophobicContact CB-CB 4.23Å; I348-D353 HydrophobicContact CG2-CB 3.67Å; I348-I354 HydrophobicContact CG2-CG1 3.55Å; I348-V357 HydrophobicContact CD1-CG2 3.81Å; I348-V357 HydrophobicContact CG1-CG2 4.36Å; I348-L386 HydrophobicContact CD1-CD1 3.67Å; I348-F637 HydrophobicContact CB-CE1 4.49Å; I348-F637 HydrophobicContact CB-CZ 4.4Å; I348-F637 HydrophobicContact CD1-CE1 3.59Å; I348-F637 HydrophobicContact CD1-CZ 4.16Å; I348-F637 HydrophobicContact CG2-CE1 4.23Å; I348-F637 HydrophobicContact CG2-CZ 4.35Å
349L72.3Confident84.3Confident129 Ų12945.5 Ų45.568%0.67522%0.224SC*.  trans-106.1-24.2-164.6-62.3177.6000113.6E346 D353E346-L349 VanDerWaalsContact O-CD2 3.32Å; E346-L349 WeakPolarHBondContact O-CD2 3.21Å; L349-D353 PolarHBondContact N-OD2 3.48Å
350D74.5Confident84.1Confident57 Ų5745.7 Ų45.731%0.30523%0.225SC..SBendtrans-142.6169.9-177.255.536.7000111.7E352 D353 I354D350-E352 PolarHBondContact O-N 3.23Å; D350-E352 WeakPolarHBondContact OD1-CB 3.46Å; D350-E352 PolarHBondContact OD1-N 3.28Å; D350-D353 WeakPolarHBondContact O-CB 3.36Å; D350-D353 PolarHBondContact O-N 3.33Å; D350-D353 PolarHBondContact OD1-N 2.88Å; D350-D353 VanDerWaalsContact OD1-N 3.17Å; D350-I354 PolarHBondContact O-N 3.31Å
351E72.8Confident83.8Confident155 Ų15546.6 Ų46.672%0.72423%0.228SC*.Hα-helixtrans-54.8-34.2178.8-66.5172.9-178.900111.9D353 I354 D355E351-D353 VanDerWaalsContact C-N 3.29Å; E351-D353 PolarHBondContact O-N 3.32Å; E351-I354 PolarHBondContact O-N 2.87Å; E351-I354 VanDerWaalsContact O-N 3.14Å; E351-D355 PolarHBondContact O-N 3.25Å
352E72.9Confident83.6Confident116 Ų11650.2 Ų50.254%0.54225%0.245SC..Hα-helixtrans-67-29177.3-61-177-164.900112.8R95 D350 W356R95-E352 PolarHBondContact NH1-O 2.96Å; R95-E352 IonicContact NH2-OE2 3.77Å; R95-E352 PolarHBondContact NH2-OE2 3.23Å; D350-E352 PolarHBondContact O-N 3.23Å; D350-E352 WeakPolarHBondContact OD1-CB 3.46Å; D350-E352 PolarHBondContact OD1-N 3.28Å; E352-W356 PolarHBondContact O-N 2.84Å
353D79.2Confident83.6Confident25 Ų2549.9 Ų49.913%0.13424%0.243CC..Hα-helixtrans-76.1-31.2173.6-68.8-33.3000111.2R95 I348 L349 D350 E351 W356 V357R95-D353 IonicContact CZ-OD1 3.43Å; R95-D353 IonicContact NH1-OD1 3.1Å; R95-D353 PolarHBondContact NH1-OD1 2.76Å; I348-D353 HydrophobicContact CB-CB 4.23Å; I348-D353 HydrophobicContact CG2-CB 3.67Å; L349-D353 PolarHBondContact N-OD2 3.48Å; D350-D353 WeakPolarHBondContact O-CB 3.36Å; D350-D353 PolarHBondContact O-N 3.33Å; D350-D353 PolarHBondContact OD1-N 2.88Å; D350-D353 VanDerWaalsContact OD1-N 3.17Å; E351-D353 VanDerWaalsContact C-N 3.29Å; E351-D353 PolarHBondContact O-N 3.32Å; D353-W356 WeakPolarHBondContact O-CB 3.33Å; D353-W356 PolarHBondContact O-N 3.33Å; D353-V357 WeakPolarHBondContact O-CG2 3.31Å; D353-V357 PolarHBondContact O-N 2.83Å
354I82.1Confident83.7Confident27 Ų2749.6 Ų49.614%0.13824%0.242CC..Hα-helixtrans-69.4-50.2175.6-63.4168.4000110.1I348 D350 E351 W356 V357 Q358 E636I348-I354 HydrophobicContact CG2-CG1 3.55Å; D350-I354 PolarHBondContact O-N 3.31Å; E351-I354 PolarHBondContact O-N 2.87Å; E351-I354 VanDerWaalsContact O-N 3.14Å; I354-W356 PolarHBondContact O-N 3.19Å; I354-W356 VanDerWaalsContact O-N 3.1Å; I354-V357 PolarHBondContact O-N 2.81Å; I354-Q358 HydrophobicContact CG2-CG 4.4Å; I354-Q358 WeakPolarHBondContact O-CG 3.37Å; I354-Q358 PolarHBondContact O-N 3.31Å; I354-E636 HydrophobicContact CD1-CB 3.84Å; I354-E636 HydrophobicContact CD1-CG 3.99Å; I354-E636 WeakPolarHBondContact CD1-OE2 3.07Å
355D78.7Confident83.8Confident99 Ų9950 Ų5053%0.52925%0.245SC..Hα-helixtrans-53.2-34.8175.9-76.1-12.3000111.6E351 T359E351-D355 PolarHBondContact O-N 3.25Å; D355-T359 WeakPolarHBondContact O-CB 3.17Å; D355-T359 PolarHBondContact O-N 3.1Å; D355-T359 PolarHBondContact O-OG1 2.81Å
356W80.8Confident83.9Confident56 Ų5651.2 Ų51.221%0.21225%0.253CS..Hα-helixtrans-70.6-43.7178.9-81.928.2000113.3R95 E352 D353 I354 Q358 T359 E360 M457R95-W356 HydrophobicContact CB-CH2 4.34Å; R95-W356 HydrophobicContact CB-CZ3 4.19Å; R95-W356 HydrophobicContact CG-CH2 4.14Å; R95-W356 HydrophobicContact CG-CZ3 4.2Å; R95-W356 VanDerWaalsContact CZ-CE3 3.48Å; R95-W356 VanDerWaalsContact CZ-CH2 3.45Å; R95-W356 VanDerWaalsContact NE-CH2 3.27Å; R95-W356 VanDerWaalsContact NE-CZ2 3.28Å; R95-W356 VanDerWaalsContact NH2-NE1 3.11Å; E352-W356 PolarHBondContact O-N 2.84Å; D353-W356 WeakPolarHBondContact O-CB 3.33Å; D353-W356 PolarHBondContact O-N 3.33Å; I354-W356 PolarHBondContact O-N 3.19Å; I354-W356 VanDerWaalsContact O-N 3.1Å; W356-Q358 VanDerWaalsContact C-N 3.28Å; W356-Q358 PolarHBondContact O-N 2.92Å; W356-T359 PolarHBondContact O-N 3.48Å; W356-E360 WeakPolarHBondContact O-CB 3.41Å; W356-E360 PolarHBondContact O-N 2.84Å; W356-M457 HydrophobicContact CH2-SD 4.28Å; W356-M457 HydrophobicContact CZ3-SD 4.4Å
357V86.5Confident84.3Confident13 Ų1348.3 Ų48.38%0.07924%0.239CC..Hα-helixtrans-64.1-38.7174.6169.20000110.6I348 D353 I354 E360 K361 L386 F388 F640I348-V357 HydrophobicContact CD1-CG2 3.81Å; I348-V357 HydrophobicContact CG1-CG2 4.36Å; D353-V357 WeakPolarHBondContact O-CG2 3.31Å; D353-V357 PolarHBondContact O-N 2.83Å; I354-V357 PolarHBondContact O-N 2.81Å; V357-E360 PolarHBondContact O-N 3.32Å; V357-K361 WeakPolarHBondContact O-CB 3.39Å; V357-K361 PolarHBondContact O-N 2.95Å; V357-L386 HydrophobicContact CG1-CD1 3.54Å; V357-L386 HydrophobicContact CG2-CD1 4.43Å; V357-F388 HydrophobicContact CG1-CZ 4.18Å; V357-F640 HydrophobicContact CG1-CD2 4.32Å; V357-F640 HydrophobicContact CG1-CE2 3.79Å
358Q86.9Confident84.5Confident69 Ų6948.1 Ų48.132%0.32224%0.238SC..Hα-helixtrans-67.7-43.7175.8-64.5-62-14.600111.9I354 W356 E360 K361 H362I354-Q358 HydrophobicContact CG2-CG 4.4Å; I354-Q358 WeakPolarHBondContact O-CG 3.37Å; I354-Q358 PolarHBondContact O-N 3.31Å; W356-Q358 VanDerWaalsContact C-N 3.28Å; W356-Q358 PolarHBondContact O-N 2.92Å; Q358-E360 VanDerWaalsContact C-N 3.33Å; Q358-E360 PolarHBondContact O-N 2.92Å; Q358-K361 PolarHBondContact O-N 3.31Å; Q358-H362 WeakPolarHBondContact O-CB 3.13Å; Q358-H362 PolarHBondContact O-N 3.18Å
359T86.6Confident84.6Confident19 Ų1951.3 Ų51.312%0.11726%0.255CS..Hα-helixtrans-58.1-47.2172.9-59.10000110.2D355 W356 K361 H362 V363 C458 E460D355-T359 WeakPolarHBondContact O-CB 3.17Å; D355-T359 PolarHBondContact O-N 3.1Å; D355-T359 PolarHBondContact O-OG1 2.81Å; W356-T359 PolarHBondContact O-N 3.48Å; T359-K361 PolarHBondContact O-N 2.6Å; T359-H362 PolarHBondContact O-N 2.75Å; T359-V363 HydrophobicContact CG2-CG2 4.27Å; T359-V363 VanDerWaalsContact O-CG2 3.23Å; T359-V363 WeakPolarHBondContact O-CG2 3.47Å; T359-V363 PolarHBondContact O-N 2.71Å; T359-C458 HydrophobicContact CG2-CB 4.46Å; T359-E460 HydrophobicContact CG2-CB 4.44Å; T359-E460 HydrophobicContact CG2-CG 3.98Å
360E90.9Very high85.6Confident11 Ų1145.7 Ų45.75%0.05123%0.226CC..Hα-helixtrans-61.9-44179.1178.4164-157.200111.6K341 W356 V357 Q358 V363 F364 G456K341-E360 IonicContact NZ-OE1 3.63Å; K341-E360 PolarHBondContact NZ-OE1 3.42Å; K341-E360 IonicContact NZ-OE2 3.58Å; W356-E360 WeakPolarHBondContact O-CB 3.41Å; W356-E360 PolarHBondContact O-N 2.84Å; V357-E360 PolarHBondContact O-N 3.32Å; Q358-E360 VanDerWaalsContact C-N 3.33Å; Q358-E360 PolarHBondContact O-N 2.92Å; E360-V363 PolarHBondContact O-N 3.06Å; E360-F364 HydrophobicContact CG-CD2 3.79Å; E360-F364 HydrophobicContact CG-CE2 3.71Å; E360-F364 WeakPolarHBondContact O-CB 3.44Å; E360-F364 VanDerWaalsContact O-CD2 3.25Å; E360-F364 WeakPolarHBondContact O-CD2 3.27Å; E360-F364 PolarHBondContact O-N 2.85Å; E360-G456 PolarHBondContact OE1-N 2.99Å
361K91.6Very high86.7Confident18 Ų1844.6 Ų44.68%0.07822%0.221CC..Hα-helixtrans-57.3-50.4173.6178.8179.3165.41740111.5V357 Q358 T359 V363 F364 E365 F388 G639 F640 E641V357-K361 WeakPolarHBondContact O-CB 3.39Å; V357-K361 PolarHBondContact O-N 2.95Å; Q358-K361 PolarHBondContact O-N 3.31Å; T359-K361 PolarHBondContact O-N 2.6Å; K361-V363 PolarHBondContact O-N 3.27Å; K361-F364 WeakPolarHBondContact O-CB 3.38Å; K361-F364 PolarHBondContact O-N 3.46Å; K361-E365 WeakPolarHBondContact CE-OE1 3.23Å; K361-E365 WeakPolarHBondContact O-CG 3.4Å; K361-E365 PolarHBondContact O-N 2.85Å; K361-F388 HydrophobicContact CB-CE1 3.84Å; K361-F388 HydrophobicContact CB-CZ 4.43Å; K361-F388 HydrophobicContact CG-CE1 4.4Å; K361-G639 PolarHBondContact NZ-O 2.77Å; K361-F640 HydrophobicContact CD-CD2 4.35Å; K361-F640 HydrophobicContact CD-CE2 4.42Å; K361-F640 VanDerWaalsContact NZ-C 3.33Å; K361-F640 PolarHBondContact NZ-O 2.82Å; K361-E641 PolarHBondContact NZ-O 2.92Å
362H92Very high87.9Confident95 Ų9537.2 Ų37.244%0.4419%0.187SC..Hα-helixtrans-65.3-38.8-178.1179.6-123.5000112.3Q358 T359 F364 E365 C366 E460Q358-H362 WeakPolarHBondContact O-CB 3.13Å; Q358-H362 PolarHBondContact O-N 3.18Å; T359-H362 PolarHBondContact O-N 2.75Å; H362-F364 VanDerWaalsContact C-N 3.34Å; H362-F364 PolarHBondContact O-N 3.07Å; H362-E365 PolarHBondContact O-N 3.04Å; H362-C366 VanDerWaalsContact O-CB 3.31Å; H362-C366 WeakPolarHBondContact O-CB 3.18Å; H362-C366 PolarHBondContact O-N 2.89Å; H362-E460 IonicContact CE1-OE2 2.93Å; H362-E460 IonicContact CG-OE2 3.59Å; H362-E460 IonicContact ND1-OE2 3.5Å; H362-E460 PolarHBondContact ND1-OE2 3.17Å
363V93.7Very high89.1Confident0 Ų031.7 Ų31.70%016%0.161CC..Hα-helixtrans-65.7-38.3174.3178.80000111.2T359 E360 K361 C366 A367 L427 I432 Y455 C458T359-V363 HydrophobicContact CG2-CG2 4.27Å; T359-V363 VanDerWaalsContact O-CG2 3.23Å; T359-V363 WeakPolarHBondContact O-CG2 3.47Å; T359-V363 PolarHBondContact O-N 2.71Å; E360-V363 PolarHBondContact O-N 3.06Å; K361-V363 PolarHBondContact O-N 3.27Å; V363-C366 PolarHBondContact O-N 2.8Å; V363-A367 WeakPolarHBondContact O-CB 2.87Å; V363-A367 PolarHBondContact O-N 2.67Å; V363-L427 HydrophobicContact CG1-CD2 4.27Å; V363-I432 HydrophobicContact CG1-CG2 4.41Å; V363-I432 HydrophobicContact CG2-CD1 4.14Å; V363-I432 HydrophobicContact CG2-CG1 4.44Å; V363-I432 HydrophobicContact CG2-CG2 3.96Å; V363-Y455 HydrophobicContact CB-CD2 4.4Å; V363-Y455 HydrophobicContact CB-CG 4.21Å; V363-Y455 HydrophobicContact CG1-CD1 3.8Å; V363-Y455 HydrophobicContact CG1-CD2 3.87Å; V363-Y455 HydrophobicContact CG1-CE1 4.43Å; V363-Y455 HydrophobicContact CG1-CE2 4.47Å; V363-Y455 HydrophobicContact CG1-CG 3.5Å; V363-C458 HydrophobicContact CG2-CB 3.85Å
364F93.6Very high89.9Confident1 Ų130.6 Ų30.60%0.00416%0.155CC..Hα-helixtrans-60.7-43.7172.7-96.4-55.8000112.6E360 K361 H362 A367 T368 V374 L376 F388 I390 Y455E360-F364 HydrophobicContact CG-CD2 3.79Å; E360-F364 HydrophobicContact CG-CE2 3.71Å; E360-F364 WeakPolarHBondContact O-CB 3.44Å; E360-F364 VanDerWaalsContact O-CD2 3.25Å; E360-F364 WeakPolarHBondContact O-CD2 3.27Å; E360-F364 PolarHBondContact O-N 2.85Å; K361-F364 WeakPolarHBondContact O-CB 3.38Å; K361-F364 PolarHBondContact O-N 3.46Å; H362-F364 VanDerWaalsContact C-N 3.34Å; H362-F364 PolarHBondContact O-N 3.07Å; F364-A367 PolarHBondContact O-N 2.97Å; F364-T368 PolarHBondContact O-N 2.77Å; F364-T368 PolarHBondContact O-OG1 3.28Å; F364-V374 HydrophobicContact CE1-CG1 4.34Å; F364-L376 HydrophobicContact CB-CB 3.96Å; F364-L376 HydrophobicContact CB-CD1 4.18Å; F364-L376 HydrophobicContact CB-CD2 3.98Å; F364-L376 HydrophobicContact CB-CG 4.25Å; F364-L376 HydrophobicContact CD1-CB 4.49Å; F364-L376 HydrophobicContact CG-CD1 4.3Å; F364-F388 AromaticContact CD2-CD1 3.95Å; F364-F388 HydrophobicContact CD2-CD1 3.95Å; F364-F388 HydrophobicContact CD2-CE1 4.28Å; F364-F388 HydrophobicContact CE2-CD1 4.33Å; F364-I390 HydrophobicContact CD1-CG2 3.86Å; F364-I390 HydrophobicContact CE1-CB 4.3Å; F364-I390 HydrophobicContact CE1-CD1 4.26Å; F364-I390 HydrophobicContact CE1-CG2 3.53Å; F364-I390 HydrophobicContact CZ-CD1 4.2Å; F364-I390 HydrophobicContact CZ-CG2 3.91Å; F364-Y455 HydrophobicContact CB-CD2 4.36Å; F364-Y455 AromaticContact CD1-CD2 3.5Å; F364-Y455 HydrophobicContact CD1-CD2 3.5Å; F364-Y455 VanDerWaalsContact CD1-CD2 3.5Å; F364-Y455 AromaticContact CD1-CE2 3.33Å; F364-Y455 HydrophobicContact CD1-CE2 3.33Å; F364-Y455 AromaticContact CD2-CD2 3.92Å; F364-Y455 HydrophobicContact CD2-CD2 3.92Å; F364-Y455 AromaticContact CE1-CD2 3.54Å; F364-Y455 HydrophobicContact CE1-CD2 3.54Å; F364-Y455 AromaticContact CE1-CE2 3.39Å; F364-Y455 HydrophobicContact CE1-CE2 3.39Å; F364-Y455 AromaticContact CE2-CD2 3.98Å; F364-Y455 HydrophobicContact CE2-CD2 3.98Å; F364-Y455 AromaticContact CG-CD2 3.65Å; F364-Y455 HydrophobicContact CG-CD2 3.65Å; F364-Y455 AromaticContact CG-CE2 3.94Å; F364-Y455 HydrophobicContact CG-CE2 3.94Å; F364-Y455 AromaticContact CZ-CD2 3.78Å; F364-Y455 HydrophobicContact CZ-CD2 3.78Å; F364-Y455 HydrophobicContact CZ-CE2 4.09Å
365E91.3Very high90.4Very high61 Ų6129.7 Ų29.729%0.28515%0.153SC..Hα-helixtrans-61.8-45.9173.8-70176-162.800111K361 H362 A367 T368 L376 Y642K361-E365 WeakPolarHBondContact CE-OE1 3.23Å; K361-E365 WeakPolarHBondContact O-CG 3.4Å; K361-E365 PolarHBondContact O-N 2.85Å; H362-E365 PolarHBondContact O-N 3.04Å; E365-A367 PolarHBondContact O-N 3.17Å; E365-T368 WeakPolarHBondContact O-CB 3.47Å; E365-T368 PolarHBondContact O-N 2.85Å; E365-T368 PolarHBondContact O-OG1 2.83Å; E365-L376 HydrophobicContact CG-CD2 3.75Å; E365-Y642 HydrophobicContact CG-CD1 4.36Å; E365-Y642 HydrophobicContact CG-CD2 4.29Å; E365-Y642 HydrophobicContact CG-CE1 4.03Å; E365-Y642 HydrophobicContact CG-CE2 3.98Å; E365-Y642 HydrophobicContact CG-CG 4.47Å; E365-Y642 WeakPolarHBondContact OE1-CD2 3.49Å
366C90.8Very high91.1Very high25 Ų2525 Ų2517%0.16913%0.128CC..Hα-helixtrans-63-40.3177.21760000113.5H362 V363 T368 F426 R430 I432H362-C366 VanDerWaalsContact O-CB 3.31Å; H362-C366 WeakPolarHBondContact O-CB 3.18Å; H362-C366 PolarHBondContact O-N 2.89Å; V363-C366 PolarHBondContact O-N 2.8Å; C366-T368 PolarHBondContact O-N 3.48Å; C366-F426 WeakPolarHBondContact O-CE1 3.48Å; C366-F426 WeakPolarHBondContact O-CZ 3.32Å; C366-R430 WeakPolarHBondContact SG-CD 3.37Å; C366-I432 HydrophobicContact CB-CD1 4.35Å
367A90.9Very high91.7Very high0 Ų022.6 Ų22.60%012%0.119CC..Hα-helixtrans-68.9-18.4179.800000112.8V363 F364 E365 N369 H370 L373 Y455V363-A367 WeakPolarHBondContact O-CB 2.87Å; V363-A367 PolarHBondContact O-N 2.67Å; F364-A367 PolarHBondContact O-N 2.97Å; E365-A367 PolarHBondContact O-N 3.17Å; A367-N369 PolarHBondContact O-N 3.05Å; A367-H370 PolarHBondContact O-N 3.41Å; A367-H370 VanDerWaalsContact O-N 3.14Å; A367-L373 HydrophobicContact CB-CB 3.82Å; A367-L373 HydrophobicContact CB-CD1 3.91Å; A367-L373 HydrophobicContact CB-CG 4.46Å; A367-Y455 HydrophobicContact CB-CE2 3.86Å
368T84.7Confident92Very high14 Ų1422 Ų229%0.08612%0.115CC..THydrogen-bonded Turntrans-59132.9-178.1-64.20000110.4F364 E365 C366 H370 L376 N644F364-T368 PolarHBondContact O-N 2.77Å; F364-T368 PolarHBondContact O-OG1 3.28Å; E365-T368 WeakPolarHBondContact O-CB 3.47Å; E365-T368 PolarHBondContact O-N 2.85Å; E365-T368 PolarHBondContact O-OG1 2.83Å; C366-T368 PolarHBondContact O-N 3.48Å; T368-H370 VanDerWaalsContact C-N 3.3Å; T368-H370 PolarHBondContact O-N 2.99Å; T368-L376 PolarHBondContact OG1-N 3.43Å; T368-N644 WeakPolarHBondContact CG2-ND2 3.21Å
369N83.5Confident92.4Very high88 Ų8818.8 Ų18.847%0.47110%0.1SC..THydrogen-bonded Turntrans76.1-6.6-175.9-46.9-56.8000116.8A367 L646A367-N369 PolarHBondContact O-N 3.05Å; N369-L646 WeakPolarHBondContact ND2-CD1 3.39Å
370H94Very high92.8Very high11 Ų1118 Ų185%0.05110%0.096CC..  trans-76.6130.6172.1-172.1-85.3000110.3A367 T368 F372 L373 F426A367-H370 PolarHBondContact O-N 3.41Å; A367-H370 VanDerWaalsContact O-N 3.14Å; T368-H370 VanDerWaalsContact C-N 3.3Å; T368-H370 PolarHBondContact O-N 2.99Å; H370-F372 PolarHBondContact ND1-N 3.23Å; H370-F372 PolarHBondContact O-N 3.27Å; H370-F372 VanDerWaalsContact O-N 3.16Å; H370-L373 HydrophobicContact CB-CB 4.12Å; H370-L373 HydrophobicContact CB-CD1 3.92Å; H370-L373 HydrophobicContact CB-CG 4.14Å; H370-L373 PolarHBondContact O-N 3.44Å; H370-F426 HydrophobicContact CB-CD1 4.41Å; H370-F426 HydrophobicContact CB-CE1 4.22Å; H370-F426 HydrophobicContact CB-CE2 4.46Å; H370-F426 HydrophobicContact CB-CZ 4.25Å; H370-F426 AromaticContact CD2-CD1 3.97Å; H370-F426 AromaticContact CD2-CD2 3.37Å; H370-F426 WeakPolarHBondContact CD2-CD2 3.36Å; H370-F426 AromaticContact CD2-CE2 3.9Å; H370-F426 AromaticContact CD2-CG 3.4Å; H370-F426 WeakPolarHBondContact CD2-CG 3.2Å; H370-F426 AromaticContact NE2-CG 3.87Å
371P96.1Very high92.9Very high33 Ų3319.2 Ų19.221%0.21410%0.101CC..THydrogen-bonded Turntrans-61.8-30.1-170.121.8-33.8000114.1K451 E589 K591P371-K451 WeakPolarHBondContact O-CE 3.49Å; P371-K451 PolarHBondContact O-NZ 3.48Å; P371-E589 HydrophobicContact CG-CG 4.38Å; P371-E589 VanDerWaalsContact CG-O 3.3Å; P371-E589 WeakPolarHBondContact CG-O 3.47Å; P371-K591 HydrophobicContact CB-CD 4.4Å; P371-K591 HydrophobicContact CB-CG 4.27Å; P371-K591 WeakPolarHBondContact O-CE 3.45Å; P371-K591 PolarHBondContact O-NZ 3.1Å
372F98.2Very high93Very high0 Ų020.6 Ų20.60%011%0.111CC..THydrogen-bonded Turntrans-11116.1-174.2-52.9-47000114.3H370 E419 I422 A423 H449 I450 K451 L452 L588 K591H370-F372 PolarHBondContact ND1-N 3.23Å; H370-F372 PolarHBondContact O-N 3.27Å; H370-F372 VanDerWaalsContact O-N 3.16Å; F372-E419 HydrophobicContact CD1-CB 4.2Å; F372-E419 HydrophobicContact CD1-CG 4.34Å; F372-E419 HydrophobicContact CD2-CB 4.09Å; F372-E419 HydrophobicContact CE1-CB 4.18Å; F372-E419 VanDerWaalsContact CE1-CD 3.47Å; F372-E419 HydrophobicContact CE1-CG 3.83Å; F372-E419 WeakPolarHBondContact CE1-OE1 3.27Å; F372-E419 HydrophobicContact CE2-CB 4.07Å; F372-E419 HydrophobicContact CE2-CG 4.03Å; F372-E419 HydrophobicContact CG-CB 4.16Å; F372-E419 HydrophobicContact CZ-CB 4.1Å; F372-E419 HydrophobicContact CZ-CG 3.64Å; F372-E419 WeakPolarHBondContact CZ-OE1 3.31Å; F372-I422 HydrophobicContact CD2-CB 4.05Å; F372-I422 HydrophobicContact CD2-CG2 3.92Å; F372-I422 HydrophobicContact CE2-CB 4.24Å; F372-I422 HydrophobicContact CE2-CD1 3.84Å; F372-I422 HydrophobicContact CE2-CG2 4.13Å; F372-A423 HydrophobicContact CB-CB 3.96Å; F372-H449 HydrophobicContact CE1-CB 4.18Å; F372-H449 AromaticContact CE1-ND1 3.98Å; F372-I450 WeakPolarHBondContact CA-O 3.47Å; F372-I450 HydrophobicContact CB-CD1 3.89Å; F372-I450 WeakPolarHBondContact CD1-O 3.43Å; F372-I450 HydrophobicContact CG-CD1 4.47Å; F372-K451 CarbonylContact O-C 3.55Å; F372-K451 VanDerWaalsContact O-CA 3.32Å; F372-K451 WeakPolarHBondContact O-CA 3.45Å; F372-L452 PolarHBondContact O-N 2.77Å; F372-L588 HydrophobicContact CZ-CG 4.42Å; F372-L588 VanDerWaalsContact CZ-O 3.29Å; F372-L588 WeakPolarHBondContact CZ-O 3.2Å; F372-K591 HydrophobicContact CE1-CG 4.07Å; F372-K591 HydrophobicContact CZ-CG 4.41Å
373L97.9Very high92.9Very high1 Ų121.4 Ų21.41%0.00511%0.11CC..BIsolated β-bridgetrans-120.6146.2171.9-63.8176.7000108.9A367 H370 G375 A423 F426 L427 K451 L452 Y455A367-L373 HydrophobicContact CB-CB 3.82Å; A367-L373 HydrophobicContact CB-CD1 3.91Å; A367-L373 HydrophobicContact CB-CG 4.46Å; H370-L373 HydrophobicContact CB-CB 4.12Å; H370-L373 HydrophobicContact CB-CD1 3.92Å; H370-L373 HydrophobicContact CB-CG 4.14Å; H370-L373 PolarHBondContact O-N 3.44Å; L373-G375 PolarHBondContact O-N 3.08Å; L373-A423 HydrophobicContact CD2-CB 3.88Å; L373-A423 HydrophobicContact CG-CB 4.35Å; L373-F426 HydrophobicContact CD1-CD1 3.49Å; L373-F426 VanDerWaalsContact CD1-CD1 3.49Å; L373-F426 HydrophobicContact CD1-CE1 3.79Å; L373-F426 HydrophobicContact CD1-CG 4.48Å; L373-L427 HydrophobicContact CD1-CD2 3.92Å; L373-L427 HydrophobicContact CD1-CG 4.13Å; L373-L427 HydrophobicContact CD2-CD1 4.24Å; L373-K451 PolarHBondContact O-NZ 2.86Å; L373-L452 HydrophobicContact CD2-CB 3.79Å; L373-L452 HydrophobicContact CD2-CD1 4.1Å; L373-L452 HydrophobicContact CD2-CG 4.17Å; L373-Y455 WeakPolarHBondContact CB-OH 3.47Å; L373-Y455 HydrophobicContact CD2-CE1 4.43Å
374V96.3Very high92.7Very high1 Ų121.6 Ų21.61%0.00611%0.111CC..PPolyproline II helixtrans-72.4120.6171.6172.30000108.8F364 I390 E391 V393 L443 K451 L452 Y455F364-V374 HydrophobicContact CE1-CG1 4.34Å; V374-I390 HydrophobicContact CG1-CB 3.98Å; V374-I390 HydrophobicContact CG1-CD1 4.07Å; V374-I390 HydrophobicContact CG1-CG1 4.21Å; V374-E391 HydrophobicContact CG1-CB 4.3Å; V374-V393 HydrophobicContact CG2-CG2 4.11Å; V374-L443 HydrophobicContact CG2-CD1 4.11Å; V374-K451 HydrophobicContact CG2-CB 3.93Å; V374-L452 WeakPolarHBondContact CG2-O 3.35Å; V374-L452 PolarHBondContact N-O 3.27Å; V374-Y455 PolarHBondContact N-OH 3.03Å; V374-Y455 WeakPolarHBondContact O-CE2 3.36Å; V374-Y455 PolarHBondContact O-OH 3.27Å
375G93.1Very high92.7Very high9 Ų922.2 Ų22.29%0.09311%0.114CC..PPolyproline II helixtrans-88159.3-178.300000114.2L373 I390 E391L373-G375 PolarHBondContact O-N 3.08Å; G375-I390 WeakPolarHBondContact O-CA 3.49Å; G375-E391 PolarHBondContact O-N 3.1Å; G375-E391 VanDerWaalsContact O-N 3.08Å
376L94.1Very high92.8Very high0 Ų019.3 Ų19.30%010%0.1CC..EExtended strand (participates in β ladder)trans-93.9132.9177.7-171.663.6000111.4F364 E365 T368 F388 V389 I390 Y642 N644F364-L376 HydrophobicContact CB-CB 3.96Å; F364-L376 HydrophobicContact CB-CD1 4.18Å; F364-L376 HydrophobicContact CB-CD2 3.98Å; F364-L376 HydrophobicContact CB-CG 4.25Å; F364-L376 HydrophobicContact CD1-CB 4.49Å; F364-L376 HydrophobicContact CG-CD1 4.3Å; E365-L376 HydrophobicContact CG-CD2 3.75Å; T368-L376 PolarHBondContact OG1-N 3.43Å; L376-F388 HydrophobicContact CD1-CB 4.37Å; L376-F388 HydrophobicContact CD1-CD1 4.24Å; L376-V389 WeakPolarHBondContact CD1-O 3.34Å; L376-I390 HydrophobicContact CD1-CG2 3.87Å; L376-Y642 HydrophobicContact CB-CE1 4.49Å; L376-Y642 HydrophobicContact CD2-CD1 3.4Å; L376-Y642 HydrophobicContact CD2-CE1 3.48Å; L376-Y642 VanDerWaalsContact CD2-CE1 3.48Å; L376-Y642 HydrophobicContact CD2-CG 4.37Å; L376-Y642 HydrophobicContact CG-CD1 4.05Å; L376-Y642 HydrophobicContact CG-CE1 3.97Å; L376-N644 WeakPolarHBondContact O-CB 3.27Å; L376-N644 PolarHBondContact O-ND2 3.31Å
377H92.4Very high93.1Very high5 Ų518.1 Ų18.12%0.0239%0.092CC..EExtended strand (participates in β ladder)trans-92.6-55.6169.1175.9-83.6000111.5Y338 V389 N644 L647Y338-H377 HydrophobicContact CD1-CB 4.1Å; Y338-H377 HydrophobicContact CE1-CB 3.95Å; Y338-H377 AromaticContact CE1-CD2 3.61Å; Y338-H377 AromaticContact CE1-CG 3.85Å; Y338-H377 AromaticContact CZ-CD2 3.6Å; H377-V389 WeakPolarHBondContact CA-O 3.48Å; H377-V389 HydrophobicContact CB-CB 4.3Å; H377-V389 HydrophobicContact CB-CG1 4.03Å; H377-V389 WeakPolarHBondContact CB-O 3.22Å; H377-V389 PolarHBondContact N-O 2.95Å; H377-N644 WeakPolarHBondContact O-CB 3Å; H377-N644 PolarHBondContact O-N 2.68Å; H377-L647 HydrophobicContact CB-CD1 4.04Å
378S93.8Very high93.3Very high0 Ų018.1 Ų18.10%09%0.092CC..EExtended strand (participates in β ladder)trans-158.4156.8179.754.40000112.1V389 Y642S378-V389 PolarHBondContact N-O 3.34Å; S378-V389 PolarHBondContact O-N 3.11Å; S378-Y642 CarbonylContact C-O 3.54Å; S378-Y642 WeakPolarHBondContact CA-O 3.26Å; S378-Y642 VanDerWaalsContact CB-O 3.23Å; S378-Y642 WeakPolarHBondContact CB-O 3.44Å
379C94.7Very high93.9Very high2 Ų217.5 Ų17.51%0.0149%0.088CC..EExtended strand (participates in β ladder)trans-118.7138.4168.3-65.30000109.2F387 F388 F640 E641 Y642C379-F387 VanDerWaalsContact CA-O 3.31Å; C379-F387 WeakPolarHBondContact CA-O 3.45Å; C379-F388 WeakPolarHBondContact SG-CD1 3.17Å; C379-F640 HydrophobicContact CB-CD1 4.16Å; C379-F640 HydrophobicContact CB-CE1 3.71Å; C379-F640 HydrophobicContact CB-CZ 4.03Å; C379-F640 VanDerWaalsContact CB-O 3.31Å; C379-F640 WeakPolarHBondContact CB-O 3.43Å; C379-E641 WeakPolarHBondContact O-CA 3.44Å; C379-Y642 PolarHBondContact N-O 3.08Å; C379-Y642 PolarHBondContact O-N 3.18Å
380F95Very high94.4Very high4 Ų413.7 Ų13.72%0.0187%0.068CC..EExtended strand (participates in β ladder)trans-149.7167.9170.663.4-95.4000110.3V307 L309 F312 M340 F387 V389 F640V307-F380 HydrophobicContact CG1-CD1 4.1Å; V307-F380 HydrophobicContact CG1-CE1 4.43Å; V307-F380 WeakPolarHBondContact O-CB 3.08Å; L309-F380 HydrophobicContact CB-CE2 3.87Å; L309-F380 HydrophobicContact CB-CZ 4.37Å; L309-F380 HydrophobicContact CD1-CE2 4.48Å; L309-F380 HydrophobicContact CD1-CZ 4.43Å; L309-F380 VanDerWaalsContact N-CE2 3.34Å; F312-F380 HydrophobicContact CD2-CE1 4.09Å; F312-F380 HydrophobicContact CD2-CZ 4.23Å; F312-F380 HydrophobicContact CE2-CD1 4.46Å; F312-F380 AromaticContact CE2-CE1 3.64Å; F312-F380 HydrophobicContact CE2-CE1 3.64Å; F312-F380 HydrophobicContact CE2-CZ 4.23Å; F312-F380 HydrophobicContact CZ-CE1 4.43Å; M340-F380 HydrophobicContact CE-CE1 4.07Å; M340-F380 HydrophobicContact CE-CZ 3.69Å; M340-F380 HydrophobicContact SD-CZ 4.24Å; F380-F387 HydrophobicContact CD1-CB 4.16Å; F380-F387 HydrophobicContact CD2-CB 3.77Å; F380-F387 AromaticContact CD2-CD2 3.64Å; F380-F387 HydrophobicContact CD2-CD2 3.64Å; F380-F387 HydrophobicContact CD2-CE2 4.42Å; F380-F387 AromaticContact CD2-CG 3.81Å; F380-F387 HydrophobicContact CD2-CG 3.81Å; F380-F387 HydrophobicContact CE1-CB 3.88Å; F380-F387 HydrophobicContact CE1-CG 4.49Å; F380-F387 HydrophobicContact CE2-CB 3.44Å; F380-F387 VanDerWaalsContact CE2-CB 3.44Å; F380-F387 AromaticContact CE2-CD1 3.74Å; F380-F387 HydrophobicContact CE2-CD1 3.74Å; F380-F387 AromaticContact CE2-CD2 3.38Å; F380-F387 HydrophobicContact CE2-CD2 3.38Å; F380-F387 HydrophobicContact CE2-CE1 4.31Å; F380-F387 HydrophobicContact CE2-CE2 4.01Å; F380-F387 AromaticContact CE2-CG 3.23Å; F380-F387 HydrophobicContact CE2-CG 3.23Å; F380-F387 HydrophobicContact CE2-CZ 4.43Å; F380-F387 HydrophobicContact CG-CB 4.11Å; F380-F387 HydrophobicContact CZ-CB 3.51Å; F380-F387 AromaticContact CZ-CD1 3.89Å; F380-F387 HydrophobicContact CZ-CD1 3.89Å; F380-F387 HydrophobicContact CZ-CD2 4.25Å; F380-F387 AromaticContact CZ-CG 3.64Å; F380-F387 HydrophobicContact CZ-CG 3.64Å; F380-F387 PolarHBondContact N-O 3.03Å; F380-F387 VanDerWaalsContact N-O 3.07Å; F380-F387 WeakPolarHBondContact O-CB 3.49Å; F380-F387 PolarHBondContact O-N 2.81Å; F380-V389 HydrophobicContact CD1-CG2 4.21Å; F380-V389 HydrophobicContact CE1-CG2 3.57Å; F380-F640 VanDerWaalsContact O-CE1 3.25Å; F380-F640 WeakPolarHBondContact O-CE1 3.35Å
381Q93.9Very high94.4Very high36 Ų3616.6 Ų16.617%0.1688%0.082CC..EExtended strand (participates in β ladder)trans-134.2158.5-178.158.1179.9-42.800112.1R385 L386 F637 F640 E641Q381-R385 WeakPolarHBondContact CA-O 3.06Å; Q381-L386 HydrophobicContact CB-CD2 3.7Å; Q381-F637 PolarHBondContact NE2-O 3.32Å; Q381-F640 HydrophobicContact CB-CD1 4.07Å; Q381-E641 VanDerWaalsContact CG-OE1 3.23Å; Q381-E641 WeakPolarHBondContact CG-OE1 3.5Å; Q381-E641 PolarHBondContact NE2-OE1 2.85Å; Q381-E641 PolarHBondContact NE2-OE2 3.26Å
382T92.4Very high94.4Very high46 Ų4616.2 Ų16.228%0.2828%0.077SC..  trans-118.8-179.9162.8660000108.9K345 S384 R385 F387K345-T382 WeakPolarHBondContact CE-O 3.22Å; K345-T382 PolarHBondContact NZ-O 3.2Å; K345-T382 VanDerWaalsContact NZ-O 3.12Å; T382-S384 PolarHBondContact O-N 2.96Å; T382-R385 PolarHBondContact N-O 2.84Å; T382-R385 PolarHBondContact OG1-N 3.28Å; T382-F387 HydrophobicContact CG2-CE2 3.6Å; T382-F387 HydrophobicContact CG2-CZ 4.14Å
383R91.3Very high94.2Very high112 Ų11216.6 Ų16.642%0.4238%0.079SC..SBendtrans-52.6-29.1175.9-174.6177174.9-148.2-5.1113.5E626 M629 Q634R383-E626 IonicContact CZ-OE2 3.6Å; R383-E626 IonicContact NH1-OE1 3.88Å; R383-E626 IonicContact NH1-OE2 2.8Å; R383-E626 PolarHBondContact NH1-OE2 3.39Å; R383-E626 IonicContact NH2-OE2 3.64Å; R383-M629 VanDerWaalsContact NH2-C 3.33Å; R383-M629 PolarHBondContact NH2-O 3.08Å; R383-Q634 PolarHBondContact O-NE2 2.89Å; R383-Q634 PolarHBondContact O-OE1 3.08Å
384S89.5Confident94Very high4 Ų417.4 Ų17.43%0.0288%0.083CC..SBendtrans-119.6-12.4-169.651.20000115.1K345 T382 D624 M629K345-S384 PolarHBondContact N-O 3.38Å; T382-S384 PolarHBondContact O-N 2.96Å; S384-D624 VanDerWaalsContact CB-OD1 3.31Å; S384-D624 WeakPolarHBondContact CB-OD1 3.32Å; S384-D624 WeakPolarHBondContact CB-OD2 3.45Å; S384-D624 PolarHBondContact OG-OD1 2.79Å; S384-D624 VanDerWaalsContact OG-OD1 3.13Å; S384-D624 PolarHBondContact OG-OD2 3.03Å; S384-M629 WeakPolarHBondContact CA-SD 3.42Å; S384-M629 WeakPolarHBondContact CB-SD 3.44Å
385R93.1Very high93.9Very high15 Ų1517.7 Ų17.76%0.0579%0.086CC..EExtended strand (participates in β ladder)trans-144152.1-169.7-69.2172.6-173.571.520.6112.6V342 I343 Q381 T382 F387 T622 D624V342-R385 HydrophobicContact CG1-CB 4.16Å; V342-R385 HydrophobicContact CG1-CG 4.09Å; I343-R385 CarbonylContact O-C 3.6Å; I343-R385 VanDerWaalsContact O-CA 3.23Å; I343-R385 WeakPolarHBondContact O-CA 3.49Å; Q381-R385 WeakPolarHBondContact CA-O 3.06Å; T382-R385 PolarHBondContact N-O 2.84Å; T382-R385 PolarHBondContact OG1-N 3.28Å; R385-F387 HydrophobicContact CB-CD2 4.19Å; R385-F387 HydrophobicContact CB-CE2 3.4Å; R385-F387 VanDerWaalsContact CB-CE2 3.4Å; R385-F387 HydrophobicContact CB-CZ 3.63Å; R385-F387 HydrophobicContact CG-CZ 4.39Å; R385-T622 PolarHBondContact NH2-O 3.32Å; R385-D624 IonicContact CZ-OD1 3.92Å; R385-D624 IonicContact NH1-OD1 3.8Å; R385-D624 PolarHBondContact NH1-OD1 3.27Å; R385-D624 IonicContact NH1-OD2 2.65Å; R385-D624 PolarHBondContact NH1-OD2 2.91Å; R385-D624 IonicContact NH2-OD1 2.83Å; R385-D624 PolarHBondContact NH2-OD1 3.45Å
386L93.8Very high93.8Very high0 Ų017.4 Ų17.40%08%0.083CC..EExtended strand (participates in β ladder)trans-107.3141.2166.3-56.5-178.8000108.6V342 I343 K345 I348 V357 Q381 F637 F640V342-L386 WeakPolarHBondContact CA-O 3.35Å; I343-L386 HydrophobicContact CB-CB 4.44Å; I343-L386 PolarHBondContact N-O 3.34Å; I343-L386 PolarHBondContact O-N 3.3Å; K345-L386 HydrophobicContact CD-CD2 4.48Å; K345-L386 VanDerWaalsContact CE-CD2 3.49Å; K345-L386 HydrophobicContact CG-CD2 4.22Å; K345-L386 HydrophobicContact CG-CG 4.08Å; I348-L386 HydrophobicContact CD1-CD1 3.67Å; V357-L386 HydrophobicContact CG1-CD1 3.54Å; V357-L386 HydrophobicContact CG2-CD1 4.43Å; Q381-L386 HydrophobicContact CB-CD2 3.7Å; L386-F637 HydrophobicContact CD1-CD1 3.91Å; L386-F637 HydrophobicContact CD1-CE1 4.08Å; L386-F637 HydrophobicContact CD2-CB 4.35Å; L386-F637 HydrophobicContact CD2-CD1 3.94Å; L386-F637 HydrophobicContact CD2-CG 4.28Å; L386-F637 HydrophobicContact CG-CD1 4.37Å; L386-F640 HydrophobicContact CB-CE1 3.88Å; L386-F640 HydrophobicContact CB-CE2 4.28Å; L386-F640 HydrophobicContact CB-CZ 3.76Å; L386-F640 HydrophobicContact CD1-CD2 4.27Å; L386-F640 HydrophobicContact CD1-CE2 4.03Å; L386-F640 HydrophobicContact CD1-CZ 4.35Å; L386-F640 HydrophobicContact CD2-CD1 3.88Å; L386-F640 HydrophobicContact CD2-CD2 4.21Å; L386-F640 HydrophobicContact CD2-CE1 4.1Å; L386-F640 HydrophobicContact CD2-CE2 4.43Å; L386-F640 HydrophobicContact CD2-CG 3.94Å; L386-F640 HydrophobicContact CD2-CZ 4.38Å; L386-F640 HydrophobicContact CG-CE1 4.49Å; L386-F640 HydrophobicContact CG-CE2 4.49Å; L386-F640 HydrophobicContact CG-CZ 4.39Å
387F95.9Very high93.7Very high0 Ų019.3 Ų19.30%09%0.093CC..EExtended strand (participates in β ladder)trans-127.9125.9-175.9-60-100.7000109.6L309 M340 K341 V342 C379 F380 T382 R385 L621L309-F387 HydrophobicContact CD1-CD1 4.37Å; L309-F387 HydrophobicContact CD1-CE1 3.84Å; L309-F387 HydrophobicContact CD1-CZ 4.35Å; L309-F387 HydrophobicContact CD2-CE1 4.4Å; L309-F387 HydrophobicContact CD2-CZ 4.15Å; M340-F387 HydrophobicContact CG-CD1 4.07Å; M340-F387 HydrophobicContact SD-CD1 3.58Å; M340-F387 VanDerWaalsContact SD-CD1 3.58Å; M340-F387 HydrophobicContact SD-CE1 4.16Å; K341-F387 WeakPolarHBondContact O-CA 3.38Å; V342-F387 HydrophobicContact CB-CD1 4.38Å; V342-F387 HydrophobicContact CB-CE1 4.41Å; V342-F387 HydrophobicContact CG1-CD1 4.04Å; V342-F387 HydrophobicContact CG1-CE1 3.71Å; V342-F387 HydrophobicContact CG1-CZ 4.18Å; V342-F387 HydrophobicContact CG2-CD1 3.69Å; V342-F387 HydrophobicContact CG2-CE1 3.85Å; C379-F387 VanDerWaalsContact CA-O 3.31Å; C379-F387 WeakPolarHBondContact CA-O 3.45Å; F380-F387 HydrophobicContact CD1-CB 4.16Å; F380-F387 HydrophobicContact CD2-CB 3.77Å; F380-F387 AromaticContact CD2-CD2 3.64Å; F380-F387 HydrophobicContact CD2-CD2 3.64Å; F380-F387 HydrophobicContact CD2-CE2 4.42Å; F380-F387 AromaticContact CD2-CG 3.81Å; F380-F387 HydrophobicContact CD2-CG 3.81Å; F380-F387 HydrophobicContact CE1-CB 3.88Å; F380-F387 HydrophobicContact CE1-CG 4.49Å; F380-F387 HydrophobicContact CE2-CB 3.44Å; F380-F387 VanDerWaalsContact CE2-CB 3.44Å; F380-F387 AromaticContact CE2-CD1 3.74Å; F380-F387 HydrophobicContact CE2-CD1 3.74Å; F380-F387 AromaticContact CE2-CD2 3.38Å; F380-F387 HydrophobicContact CE2-CD2 3.38Å; F380-F387 HydrophobicContact CE2-CE1 4.31Å; F380-F387 HydrophobicContact CE2-CE2 4.01Å; F380-F387 AromaticContact CE2-CG 3.23Å; F380-F387 HydrophobicContact CE2-CG 3.23Å; F380-F387 HydrophobicContact CE2-CZ 4.43Å; F380-F387 HydrophobicContact CG-CB 4.11Å; F380-F387 HydrophobicContact CZ-CB 3.51Å; F380-F387 AromaticContact CZ-CD1 3.89Å; F380-F387 HydrophobicContact CZ-CD1 3.89Å; F380-F387 HydrophobicContact CZ-CD2 4.25Å; F380-F387 AromaticContact CZ-CG 3.64Å; F380-F387 HydrophobicContact CZ-CG 3.64Å; F380-F387 PolarHBondContact N-O 3.03Å; F380-F387 VanDerWaalsContact N-O 3.07Å; F380-F387 WeakPolarHBondContact O-CB 3.49Å; F380-F387 PolarHBondContact O-N 2.81Å; T382-F387 HydrophobicContact CG2-CE2 3.6Å; T382-F387 HydrophobicContact CG2-CZ 4.14Å; R385-F387 HydrophobicContact CB-CD2 4.19Å; R385-F387 HydrophobicContact CB-CE2 3.4Å; R385-F387 VanDerWaalsContact CB-CE2 3.4Å; R385-F387 HydrophobicContact CB-CZ 3.63Å; R385-F387 HydrophobicContact CG-CZ 4.39Å; F387-L621 HydrophobicContact CE1-CD1 4.29Å; F387-L621 HydrophobicContact CZ-CD1 4.32Å
388F95.5Very high93.8Very high0 Ų019 Ų190%09%0.092CC..EExtended strand (participates in β ladder)trans-108.8117.8167.7-60.1-97000108M340 K341 I343 V357 K361 F364 L376 C379 I390 F640M340-F388 CarbonylContact C-O 3.54Å; M340-F388 VanDerWaalsContact CA-O 3.32Å; M340-F388 WeakPolarHBondContact CA-O 3.37Å; K341-F388 HydrophobicContact CB-CB 4.27Å; K341-F388 PolarHBondContact N-O 3.44Å; K341-F388 PolarHBondContact O-N 2.9Å; I343-F388 HydrophobicContact CD1-CD2 4.4Å; I343-F388 HydrophobicContact CD1-CE2 3.77Å; I343-F388 HydrophobicContact CG1-CE2 4.43Å; V357-F388 HydrophobicContact CG1-CZ 4.18Å; K361-F388 HydrophobicContact CB-CE1 3.84Å; K361-F388 HydrophobicContact CB-CZ 4.43Å; K361-F388 HydrophobicContact CG-CE1 4.4Å; F364-F388 AromaticContact CD2-CD1 3.95Å; F364-F388 HydrophobicContact CD2-CD1 3.95Å; F364-F388 HydrophobicContact CD2-CE1 4.28Å; F364-F388 HydrophobicContact CE2-CD1 4.33Å; L376-F388 HydrophobicContact CD1-CB 4.37Å; L376-F388 HydrophobicContact CD1-CD1 4.24Å; C379-F388 WeakPolarHBondContact SG-CD1 3.17Å; F388-I390 HydrophobicContact CB-CG2 4.17Å; F388-F640 HydrophobicContact CD1-CZ 4.36Å; F388-F640 HydrophobicContact CD2-CZ 4.25Å; F388-F640 HydrophobicContact CE1-CE2 4.05Å; F388-F640 AromaticContact CE1-CZ 3.85Å; F388-F640 HydrophobicContact CE1-CZ 3.85Å; F388-F640 HydrophobicContact CE2-CE2 4.18Å; F388-F640 AromaticContact CE2-CZ 3.74Å; F388-F640 HydrophobicContact CE2-CZ 3.74Å; F388-F640 AromaticContact CZ-CE2 3.62Å; F388-F640 HydrophobicContact CZ-CE2 3.62Å; F388-F640 AromaticContact CZ-CZ 3.53Å; F388-F640 HydrophobicContact CZ-CZ 3.53Å
389V96.8Very high93.6Very high0 Ų021.3 Ų21.30%010%0.104CC..EExtended strand (participates in β ladder)trans-94116.1171.1-173.10000107.1F312 Y338 A339 M340 L376 H377 S378 F380F312-V389 HydrophobicContact CE1-CG1 3.86Å; F312-V389 HydrophobicContact CE1-CG2 4.18Å; F312-V389 HydrophobicContact CE2-CG2 4.16Å; F312-V389 HydrophobicContact CZ-CB 4.48Å; F312-V389 HydrophobicContact CZ-CG1 4.08Å; F312-V389 HydrophobicContact CZ-CG2 3.75Å; Y338-V389 HydrophobicContact CD1-CG1 4.16Å; Y338-V389 HydrophobicContact CD2-CG1 4.29Å; Y338-V389 HydrophobicContact CG-CG1 3.76Å; A339-V389 WeakPolarHBondContact O-CA 3.38Å; M340-V389 HydrophobicContact CE-CG2 4.13Å; L376-V389 WeakPolarHBondContact CD1-O 3.34Å; H377-V389 WeakPolarHBondContact CA-O 3.48Å; H377-V389 HydrophobicContact CB-CB 4.3Å; H377-V389 HydrophobicContact CB-CG1 4.03Å; H377-V389 WeakPolarHBondContact CB-O 3.22Å; H377-V389 PolarHBondContact N-O 2.95Å; S378-V389 PolarHBondContact N-O 3.34Å; S378-V389 PolarHBondContact O-N 3.11Å; F380-V389 HydrophobicContact CD1-CG2 4.21Å; F380-V389 HydrophobicContact CE1-CG2 3.57Å
390I95.5Very high93.2Very high9 Ų923 Ų235%0.04611%0.111CC..EExtended strand (participates in β ladder)trans-128.2163.1-171.964.9-178000109.9Y338 A339 F364 V374 G375 L376 F388 F392Y338-I390 WeakPolarHBondContact CB-O 3.38Å; A339-I390 HydrophobicContact CB-CD1 4.26Å; A339-I390 HydrophobicContact CB-CG1 3.72Å; A339-I390 PolarHBondContact N-O 3.49Å; A339-I390 WeakPolarHBondContact O-CG1 3.41Å; A339-I390 PolarHBondContact O-N 3.05Å; F364-I390 HydrophobicContact CD1-CG2 3.86Å; F364-I390 HydrophobicContact CE1-CB 4.3Å; F364-I390 HydrophobicContact CE1-CD1 4.26Å; F364-I390 HydrophobicContact CE1-CG2 3.53Å; F364-I390 HydrophobicContact CZ-CD1 4.2Å; F364-I390 HydrophobicContact CZ-CG2 3.91Å; V374-I390 HydrophobicContact CG1-CB 3.98Å; V374-I390 HydrophobicContact CG1-CD1 4.07Å; V374-I390 HydrophobicContact CG1-CG1 4.21Å; G375-I390 WeakPolarHBondContact O-CA 3.49Å; L376-I390 HydrophobicContact CD1-CG2 3.87Å; F388-I390 HydrophobicContact CB-CG2 4.17Å; I390-F392 PolarHBondContact O-N 3.22Å
391E93.8Very high92.9Very high72 Ų7223.7 Ų23.734%0.33611%0.113SC..EExtended strand (participates in β ladder)trans-51.7133.2174.7-176.3-176.5176.100111.7V374 G375 V393 K451V374-E391 HydrophobicContact CG1-CB 4.3Å; G375-E391 PolarHBondContact O-N 3.1Å; G375-E391 VanDerWaalsContact O-N 3.08Å; E391-V393 HydrophobicContact CG-CG2 4.25Å; E391-K451 VanDerWaalsContact CD-NZ 3.28Å; E391-K451 WeakPolarHBondContact OE1-CE 2.99Å; E391-K451 IonicContact OE1-NZ 3.84Å; E391-K451 PolarHBondContact OE1-NZ 3.04Å; E391-K451 IonicContact OE2-NZ 2.62Å; E391-K451 PolarHBondContact OE2-NZ 3.42Å
392F95.5Very high92.6Very high25 Ų2522.6 Ų22.611%0.1111%0.108CC..  trans-86.9119.4172-177.9-117.1000110.4I318 Q328 I337 A339 I390 N394 D604 L607 F610I318-F392 HydrophobicContact CD1-CD2 3.97Å; I318-F392 HydrophobicContact CD1-CE2 3.73Å; Q328-F392 HydrophobicContact CB-CE2 4.42Å; Q328-F392 HydrophobicContact CG-CD2 4.41Å; Q328-F392 HydrophobicContact CG-CE2 4.21Å; Q328-F392 HydrophobicContact CG-CZ 4.3Å; Q328-F392 VanDerWaalsContact NE2-CE1 3.3Å; Q328-F392 VanDerWaalsContact NE2-CZ 3.29Å; I337-F392 HydrophobicContact CB-CD1 4.5Å; I337-F392 HydrophobicContact CG2-CB 4.07Å; I337-F392 HydrophobicContact CG2-CD1 3.56Å; I337-F392 HydrophobicContact CG2-CE1 4.19Å; I337-F392 HydrophobicContact CG2-CG 3.86Å; A339-F392 HydrophobicContact CB-CD2 4.28Å; I390-F392 PolarHBondContact O-N 3.22Å; F392-N394 HydrophobicContact CD1-CB 4.12Å; F392-N394 HydrophobicContact CE1-CB 3.5Å; F392-N394 VanDerWaalsContact CE1-CB 3.5Å; F392-N394 HydrophobicContact CZ-CB 3.99Å; F392-D604 WeakPolarHBondContact CD1-O 3.23Å; F392-D604 WeakPolarHBondContact CE1-O 3.32Å; F392-L607 HydrophobicContact CE2-CD2 4.26Å; F392-L607 HydrophobicContact CZ-CD2 3.72Å; F392-F610 HydrophobicContact CE2-CE1 4.15Å; F392-F610 HydrophobicContact CE2-CE2 4.08Å; F392-F610 AromaticContact CE2-CZ 3.47Å; F392-F610 HydrophobicContact CE2-CZ 3.47Å; F392-F610 VanDerWaalsContact CE2-CZ 3.47Å; F392-F610 AromaticContact CZ-CE2 3.74Å; F392-F610 HydrophobicContact CZ-CE2 3.74Å; F392-F610 AromaticContact CZ-CZ 3.62Å; F392-F610 HydrophobicContact CZ-CZ 3.62Å
393V95Very high92.2Very high8 Ų826.6 Ų26.65%0.04812%0.124CC..  trans-111.7111.5-179.6-176.40000108.5V374 E391 L443 M444 D445 K451 F610V374-V393 HydrophobicContact CG2-CG2 4.11Å; E391-V393 HydrophobicContact CG-CG2 4.25Å; V393-L443 HydrophobicContact CB-CB 4.13Å; V393-L443 HydrophobicContact CB-CD1 3.9Å; V393-L443 HydrophobicContact CG1-CB 3.68Å; V393-L443 HydrophobicContact CG1-CD1 4.39Å; V393-L443 HydrophobicContact CG2-CD1 4.25Å; V393-M444 VanDerWaalsContact CG1-C 3.41Å; V393-M444 WeakPolarHBondContact CG1-O 3.36Å; V393-D445 HydrophobicContact CG1-CB 4.27Å; V393-K451 HydrophobicContact CG1-CD 4.46Å; V393-K451 HydrophobicContact CG2-CB 4.46Å; V393-K451 HydrophobicContact CG2-CD 3.63Å; V393-F610 WeakPolarHBondContact O-CZ 3.01Å
394N93.1Very high91.8Very high17 Ų1727.8 Ų27.89%0.09113%0.128CC..  trans-101.7-2.7-162.668.5-21.8000115.9F392 G396 S446 G603F392-N394 HydrophobicContact CD1-CB 4.12Å; F392-N394 HydrophobicContact CE1-CB 3.5Å; F392-N394 VanDerWaalsContact CE1-CB 3.5Å; F392-N394 HydrophobicContact CZ-CB 3.99Å; N394-G396 PolarHBondContact O-N 3.22Å; N394-S446 WeakPolarHBondContact OD1-CB 3.27Å; N394-G603 PolarHBondContact ND2-O 3.21Å
395G92.9Very high91.6Very high7 Ų731.2 Ų31.27%0.07215%0.146CC..SBendtrans-79.72.3-179.800000114.6M444G395-M444 CarbonylContact C-O 3.5Å; G395-M444 WeakPolarHBondContact CA-O 3.49Å; G395-M444 PolarHBondContact N-O 2.84Å
396G91.5Very high91Very high3 Ų336.9 Ų36.93%0.03118%0.177CC..  trans81.4-160.7-173.700000112.1N394 L443 M444N394-G396 PolarHBondContact O-N 3.22Å; G396-L443 CarbonylContact O-C 3.54Å; G396-L443 WeakPolarHBondContact O-CA 3.44Å; G396-M444 PolarHBondContact O-N 3.48Å
397D92.7Very high90.9Very high40 Ų4043.6 Ų43.621%0.21420%0.203CC..BIsolated β-bridgetrans-120.2165.6178.960.766.5000112.3M399 F400 Y401 V442 L443D397-M399 PolarHBondContact O-N 2.68Å; D397-M399 WeakPolarHBondContact OD1-CA 3.47Å; D397-M399 WeakPolarHBondContact OD1-CB 3.2Å; D397-M399 PolarHBondContact OD1-N 3.21Å; D397-F400 PolarHBondContact O-N 3.07Å; D397-F400 WeakPolarHBondContact OD1-CB 3.32Å; D397-F400 PolarHBondContact OD1-N 3Å; D397-Y401 PolarHBondContact O-N 3.06Å; D397-V442 CarbonylContact C-O 3.54Å; D397-V442 WeakPolarHBondContact CA-O 3.49Å; D397-L443 HydrophobicContact CB-CD2 3.9Å
398L93.7Very high90.8Very high0 Ų044.1 Ų44.10%021%0.205CC..Hα-helixtrans-65.1-25.9179.2-76.4-173.1000112.8Y401 M402 Y416 L439 V442 M444 M504L398-Y401 HydrophobicContact CD2-CD1 4.19Å; L398-Y401 PolarHBondContact O-N 3.12Å; L398-M402 VanDerWaalsContact O-CB 3.24Å; L398-M402 WeakPolarHBondContact O-CB 3.39Å; L398-M402 WeakPolarHBondContact O-CG 3.49Å; L398-M402 PolarHBondContact O-N 2.91Å; L398-Y416 HydrophobicContact CD2-CD2 4.15Å; L398-Y416 HydrophobicContact CD2-CE2 4.25Å; L398-Y416 HydrophobicContact CD2-CG 4.45Å; L398-L439 HydrophobicContact CB-CB 4.45Å; L398-L439 HydrophobicContact CB-CD2 3.9Å; L398-L439 PolarHBondContact N-O 2.85Å; L398-V442 HydrophobicContact CB-CB 4.27Å; L398-V442 HydrophobicContact CD1-CB 3.75Å; L398-V442 HydrophobicContact CD1-CG1 3.48Å; L398-V442 VanDerWaalsContact CD1-CG1 3.48Å; L398-V442 HydrophobicContact CD1-CG2 4.33Å; L398-V442 HydrophobicContact CG-CB 3.94Å; L398-V442 HydrophobicContact CG-CG1 3.8Å; L398-V442 PolarHBondContact N-O 3.37Å; L398-M444 HydrophobicContact CD2-CE 3.77Å; L398-M504 HydrophobicContact CD1-SD 4.29Å
399M90.1Very high90.8Very high48 Ų4846.9 Ų46.924%0.23623%0.228CC..Hα-helixtrans-64.8-49.9176.4176.263.678.600109.8D397 Y401 M402 Q403 L439 D440D397-M399 PolarHBondContact O-N 2.68Å; D397-M399 WeakPolarHBondContact OD1-CA 3.47Å; D397-M399 WeakPolarHBondContact OD1-CB 3.2Å; D397-M399 PolarHBondContact OD1-N 3.21Å; M399-Y401 VanDerWaalsContact C-N 3.32Å; M399-Y401 PolarHBondContact O-N 2.76Å; M399-M402 WeakPolarHBondContact O-CB 3.37Å; M399-M402 PolarHBondContact O-N 2.94Å; M399-M402 VanDerWaalsContact O-N 3.17Å; M399-Q403 WeakPolarHBondContact O-CG 3.4Å; M399-Q403 PolarHBondContact O-N 3.26Å; M399-Q403 HydrophobicContact SD-CG 4.49Å; M399-L439 HydrophobicContact CB-CB 3.78Å; M399-L439 HydrophobicContact CE-CB 3.98Å; M399-L439 HydrophobicContact CE-CD1 4.05Å; M399-L439 PolarHBondContact N-O 2.99Å; M399-L439 HydrophobicContact SD-CB 4.46Å; M399-L439 HydrophobicContact SD-CD1 4.16Å; M399-D440 HydrophobicContact CB-CB 4.48Å; M399-D440 WeakPolarHBondContact CE-OD2 3.44Å; M399-D440 WeakPolarHBondContact CG-OD1 3.47Å
400F85.6Confident90.8Very high38 Ų3849.1 Ų49.117%0.16724%0.239CC..Hα-helixtrans-62.5-39177.4-174.7-109.8000112.4D397 R404 H609D397-F400 PolarHBondContact O-N 3.07Å; D397-F400 WeakPolarHBondContact OD1-CB 3.32Å; D397-F400 PolarHBondContact OD1-N 3Å; F400-R404 PolarHBondContact O-N 2.73Å; F400-H609 HydrophobicContact CD1-CB 4.16Å; F400-H609 HydrophobicContact CE1-CB 3.69Å; F400-H609 AromaticContact CE1-ND1 3.77Å
401Y89.8Confident90.8Very high17 Ų1753.5 Ų53.57%0.06726%0.262CS..Hα-helixtrans-63.9-42.3172.7-175.9-120.7000112.3D397 L398 M399 R404 N405 L408 Y416 M444 Y597D397-Y401 PolarHBondContact O-N 3.06Å; L398-Y401 HydrophobicContact CD2-CD1 4.19Å; L398-Y401 PolarHBondContact O-N 3.12Å; M399-Y401 VanDerWaalsContact C-N 3.32Å; M399-Y401 PolarHBondContact O-N 2.76Å; Y401-R404 PolarHBondContact O-N 3.32Å; Y401-N405 WeakPolarHBondContact CD2-ND2 3.38Å; Y401-N405 WeakPolarHBondContact CE2-ND2 3.48Å; Y401-N405 PolarHBondContact O-N 3.35Å; Y401-N405 VanDerWaalsContact O-N 3.14Å; Y401-N405 PolarHBondContact O-ND2 3.06Å; Y401-L408 HydrophobicContact CD1-CD1 4.38Å; Y401-L408 HydrophobicContact CD1-CD2 3.92Å; Y401-L408 HydrophobicContact CE1-CD1 4.09Å; Y401-L408 HydrophobicContact CE1-CD2 3.4Å; Y401-L408 HydrophobicContact CE1-CG 4.41Å; Y401-Y416 HydrophobicContact CE1-CE2 4.15Å; Y401-M444 HydrophobicContact CD1-CE 4.49Å; Y401-Y597 AromaticContact CD2-CD1 3.91Å; Y401-Y597 HydrophobicContact CD2-CD1 3.91Å; Y401-Y597 AromaticContact CD2-CE1 3.57Å; Y401-Y597 HydrophobicContact CD2-CE1 3.57Å; Y401-Y597 HydrophobicContact CE1-CD1 4.45Å; Y401-Y597 AromaticContact CE2-CD1 3.35Å; Y401-Y597 HydrophobicContact CE2-CD1 3.35Å; Y401-Y597 AromaticContact CE2-CD2 3.93Å; Y401-Y597 HydrophobicContact CE2-CD2 3.93Å; Y401-Y597 AromaticContact CE2-CE1 3.36Å; Y401-Y597 HydrophobicContact CE2-CE1 3.36Å; Y401-Y597 AromaticContact CE2-CE2 3.95Å; Y401-Y597 HydrophobicContact CE2-CE2 3.95Å; Y401-Y597 AromaticContact CE2-CG 3.63Å; Y401-Y597 HydrophobicContact CE2-CG 3.63Å; Y401-Y597 AromaticContact CE2-CZ 3.67Å; Y401-Y597 AromaticContact CZ-CD1 3.68Å; Y401-Y597 AromaticContact CZ-CG 3.75Å; Y401-Y597 WeakPolarHBondContact OH-CB 3.14Å
402M87.9Confident91Very high13 Ų1353.9 Ų53.96%0.06426%0.261CS..Hα-helixtrans-64.4-42177.4-80-64.1-63.800112.7L398 M399 R404 N405 L406 L408 L439 E503 M504L398-M402 VanDerWaalsContact O-CB 3.24Å; L398-M402 WeakPolarHBondContact O-CB 3.39Å; L398-M402 WeakPolarHBondContact O-CG 3.49Å; L398-M402 PolarHBondContact O-N 2.91Å; M399-M402 WeakPolarHBondContact O-CB 3.37Å; M399-M402 PolarHBondContact O-N 2.94Å; M399-M402 VanDerWaalsContact O-N 3.17Å; M402-R404 PolarHBondContact O-N 2.59Å; M402-N405 PolarHBondContact O-N 2.8Å; M402-L406 WeakPolarHBondContact O-CA 3.45Å; M402-L406 PolarHBondContact O-N 3.21Å; M402-L408 HydrophobicContact SD-CD1 4.08Å; M402-L408 HydrophobicContact SD-CD2 3.9Å; M402-L408 HydrophobicContact SD-CG 3.59Å; M402-L408 VanDerWaalsContact SD-CG 3.59Å; M402-L439 HydrophobicContact CB-CD1 4.47Å; M402-L439 HydrophobicContact CG-CD1 4.14Å; M402-L439 HydrophobicContact CG-CD2 4.07Å; M402-E503 WeakPolarHBondContact CE-O 3.3Å; M402-M504 HydrophobicContact SD-CB 4.48Å; M402-M504 HydrophobicContact SD-CG 4.33Å
403Q83.3Confident91.1Very high131 Ų13152.7 Ų52.761%0.61226%0.256SS*.Hα-helixtrans-58.2-30.6177.5-74173.9-0.300112.6M399M399-Q403 WeakPolarHBondContact O-CG 3.4Å; M399-Q403 PolarHBondContact O-N 3.26Å; M399-Q403 HydrophobicContact SD-CG 4.49Å
404R82.7Confident91.2Very high136 Ų13653.4 Ų53.451%0.51326%0.258SS..Hα-helixtrans-86-34.4178.7-69.7173.9171.3169.1-6.7114F400 Y401 M402 H609F400-R404 PolarHBondContact O-N 2.73Å; Y401-R404 PolarHBondContact O-N 3.32Å; M402-R404 PolarHBondContact O-N 2.59Å; R404-H609 PolarHBondContact NH1-ND1 3.07Å
405N85.7Confident91.5Very high76 Ų7653.2 Ų53.241%0.40626%0.256SS..Hα-helixtrans-97.3-9.8-175.3-68.1-83.4000113.8Y401 M402 R407 L408Y401-N405 WeakPolarHBondContact CD2-ND2 3.38Å; Y401-N405 WeakPolarHBondContact CE2-ND2 3.48Å; Y401-N405 PolarHBondContact O-N 3.35Å; Y401-N405 VanDerWaalsContact O-N 3.14Å; Y401-N405 PolarHBondContact O-ND2 3.06Å; M402-N405 PolarHBondContact O-N 2.8Å; N405-R407 PolarHBondContact O-N 2.86Å; N405-L408 HydrophobicContact CB-CD2 4.12Å
406L80.2Confident91.8Very high135 Ų13552.9 Ų52.971%0.70725%0.252SS*.SBendtrans64.5-50.3-174.4-54.4172.5000113.8M402 G507M402-L406 WeakPolarHBondContact O-CA 3.45Å; M402-L406 PolarHBondContact O-N 3.21Å; L406-G507 WeakPolarHBondContact O-CA 3.48Å
407R91.3Very high92.1Very high141 Ų14152.7 Ų52.753%0.53225%0.251SS..SBendtrans-151.1157172.866.6178.9-179.2179.20110.3N405 S542N405-R407 PolarHBondContact O-N 2.86Å; R407-S542 PolarHBondContact NH1-OG 3.37Å
408L93.8Very high92.4Very high11 Ų1150.8 Ų50.86%0.05824%0.241CC..  trans-98.5149.5178.7-52.1-171.8000111.6Y401 M402 N405 Y416 M504Y401-L408 HydrophobicContact CD1-CD1 4.38Å; Y401-L408 HydrophobicContact CD1-CD2 3.92Å; Y401-L408 HydrophobicContact CE1-CD1 4.09Å; Y401-L408 HydrophobicContact CE1-CD2 3.4Å; Y401-L408 HydrophobicContact CE1-CG 4.41Å; M402-L408 HydrophobicContact SD-CD1 4.08Å; M402-L408 HydrophobicContact SD-CD2 3.9Å; M402-L408 HydrophobicContact SD-CG 3.59Å; M402-L408 VanDerWaalsContact SD-CG 3.59Å; N405-L408 HydrophobicContact CB-CD2 4.12Å; L408-Y416 HydrophobicContact CD1-CD2 3.96Å; L408-Y416 HydrophobicContact CD1-CE2 4Å; L408-M504 HydrophobicContact CB-CB 4.49Å; L408-M504 HydrophobicContact CD1-CB 4.06Å; L408-M504 HydrophobicContact CD1-CG 3.93Å; L408-M504 HydrophobicContact CD1-SD 3.84Å; L408-M504 HydrophobicContact CG-CB 4.3Å; L408-M504 PolarHBondContact N-O 3.47Å
409A95.4Very high92.6Very high58 Ų5850.8 Ų50.848%0.47924%0.241SC..  trans-65.5154.2166.100000110.4D411 Y412 A413A409-D411 PolarHBondContact O-N 3.14Å; A409-Y412 HydrophobicContact CB-CD2 3.87Å; A409-Y412 HydrophobicContact CB-CE2 4.4Å; A409-Y412 WeakPolarHBondContact O-CB 3.41Å; A409-Y412 PolarHBondContact O-N 3.39Å; A409-A413 PolarHBondContact O-N 2.86Å
410E96.5Very high93Very high47 Ų4748.5 Ų48.522%0.2223%0.229CC..Hα-helixtrans-59.1-34.2-174.9-61.9-163.217900113.2Y412 A413 R414 L505 S544E410-Y412 VanDerWaalsContact C-N 3.32Å; E410-Y412 PolarHBondContact O-N 2.86Å; E410-A413 PolarHBondContact O-N 2.65Å; E410-R414 VanDerWaalsContact O-CB 3.23Å; E410-R414 WeakPolarHBondContact O-CB 3.42Å; E410-R414 PolarHBondContact O-N 2.88Å; E410-L505 HydrophobicContact CB-CD2 4.29Å; E410-L505 HydrophobicContact CG-CD2 3.86Å; E410-S544 WeakPolarHBondContact OE1-CA 3.41Å; E410-S544 WeakPolarHBondContact OE1-CB 3.15Å; E410-S544 PolarHBondContact OE1-N 3.43Å; E410-S544 PolarHBondContact OE1-OG 2.87Å; E410-S544 WeakPolarHBondContact OE2-CB 3.49Å; E410-S544 PolarHBondContact OE2-OG 2.81Å
411D96.7Very high93.6Very high101 Ų10146.7 Ų46.754%0.5422%0.221SC..Hα-helixtrans-68.4-33.5179.4-63.5-15.5000112A409 R414 F415A409-D411 PolarHBondContact O-N 3.14Å; D411-R414 IonicContact OD1-CZ 2.59Å; D411-R414 VanDerWaalsContact OD1-CZ 3.27Å; D411-R414 IonicContact OD1-NH1 3.56Å; D411-R414 PolarHBondContact OD1-NH1 2.88Å; D411-R414 IonicContact OD1-NH2 3.26Å; D411-R414 PolarHBondContact OD1-NH2 3.41Å; D411-F415 WeakPolarHBondContact O-CB 3.21Å; D411-F415 PolarHBondContact O-N 3.03Å; D411-F415 VanDerWaalsContact O-N 3.08Å
412Y97.4Very high94Very high79 Ų7946.2 Ų46.231%0.3122%0.22SC..Hα-helixtrans-70.3-50175-72-119.3000110.3A409 E410 R414 F415 Y416 P596A409-Y412 HydrophobicContact CB-CD2 3.87Å; A409-Y412 HydrophobicContact CB-CE2 4.4Å; A409-Y412 WeakPolarHBondContact O-CB 3.41Å; A409-Y412 PolarHBondContact O-N 3.39Å; E410-Y412 VanDerWaalsContact C-N 3.32Å; E410-Y412 PolarHBondContact O-N 2.86Å; Y412-R414 VanDerWaalsContact C-N 3.25Å; Y412-R414 PolarHBondContact O-N 3.13Å; Y412-F415 PolarHBondContact O-N 3.3Å; Y412-Y416 WeakPolarHBondContact O-CD2 3.15Å; Y412-Y416 PolarHBondContact O-N 3.36Å; Y412-Y416 VanDerWaalsContact O-N 3.12Å; Y412-P596 HydrophobicContact CD1-CB 3.74Å; Y412-P596 HydrophobicContact CD1-CG 3.79Å; Y412-P596 HydrophobicContact CD2-CB 3.96Å; Y412-P596 HydrophobicContact CD2-CG 4.49Å; Y412-P596 HydrophobicContact CE1-CB 3.69Å; Y412-P596 HydrophobicContact CE1-CG 4.2Å; Y412-P596 WeakPolarHBondContact CE1-O 3.24Å; Y412-P596 HydrophobicContact CE2-CB 3.93Å; Y412-P596 HydrophobicContact CG-CB 3.85Å; Y412-P596 HydrophobicContact CG-CG 3.93Å; Y412-P596 VanDerWaalsContact CZ-O 3.27Å; Y412-P596 PolarHBondContact OH-O 3.22Å
413A97.7Very high94.5Very high0 Ų045.6 Ų45.60%022%0.217CC..Hα-helixtrans-60.7-35.8177.100000112A409 E410 A417 M504 L505A409-A413 PolarHBondContact O-N 2.86Å; E410-A413 PolarHBondContact O-N 2.65Å; A413-A417 WeakPolarHBondContact O-CB 3.34Å; A413-A417 PolarHBondContact O-N 2.87Å; A413-M504 HydrophobicContact CB-CB 4.02Å; A413-M504 HydrophobicContact CB-CE 4.06Å; A413-M504 HydrophobicContact CB-SD 4.43Å; A413-L505 HydrophobicContact CB-CD2 3.62Å; A413-L505 HydrophobicContact CB-CG 3.94Å
414R98.3Very high95.2Very high24 Ų2439.3 Ų39.39%0.09119%0.188CC..Hα-helixtrans-65.6-46.7175.9-172.1-171.4-53.7109.614112.1E410 D411 Y412 A417 A418 F579 F580 I583E410-R414 VanDerWaalsContact O-CB 3.23Å; E410-R414 WeakPolarHBondContact O-CB 3.42Å; E410-R414 PolarHBondContact O-N 2.88Å; D411-R414 IonicContact OD1-CZ 2.59Å; D411-R414 VanDerWaalsContact OD1-CZ 3.27Å; D411-R414 IonicContact OD1-NH1 3.56Å; D411-R414 PolarHBondContact OD1-NH1 2.88Å; D411-R414 IonicContact OD1-NH2 3.26Å; D411-R414 PolarHBondContact OD1-NH2 3.41Å; Y412-R414 VanDerWaalsContact C-N 3.25Å; Y412-R414 PolarHBondContact O-N 3.13Å; R414-A417 PolarHBondContact O-N 2.99Å; R414-A418 WeakPolarHBondContact O-CB 3.42Å; R414-A418 PolarHBondContact O-N 3.08Å; R414-F579 HydrophobicContact CB-CE1 3.65Å; R414-F579 HydrophobicContact CB-CZ 3.66Å; R414-F579 WeakPolarHBondContact CD-O 3.31Å; R414-F579 HydrophobicContact CG-CD1 4.08Å; R414-F579 HydrophobicContact CG-CE1 3.69Å; R414-F579 HydrophobicContact CG-CZ 4.12Å; R414-F579 PolarHBondContact NE-O 2.67Å; R414-F580 HydrophobicContact CG-CD1 3.87Å; R414-F580 HydrophobicContact CG-CE1 4.24Å; R414-I583 HydrophobicContact CG-CD1 4.08Å; R414-I583 HydrophobicContact CG-CG1 4.11Å
415F98.4Very high95.9Very high12 Ų1234 Ų345%0.05317%0.169CC..Hα-helixtrans-57.9-56179179.4-89.2000110.6D411 Y412 A417 A418 E419 H449 L588 V593 P595 P596D411-F415 WeakPolarHBondContact O-CB 3.21Å; D411-F415 PolarHBondContact O-N 3.03Å; D411-F415 VanDerWaalsContact O-N 3.08Å; Y412-F415 PolarHBondContact O-N 3.3Å; F415-A417 PolarHBondContact O-N 3.24Å; F415-A418 PolarHBondContact O-N 3.16Å; F415-A418 VanDerWaalsContact O-N 3.14Å; F415-E419 VanDerWaalsContact CE1-CD 3.44Å; F415-E419 HydrophobicContact CE1-CG 4.3Å; F415-E419 VanDerWaalsContact CE1-OE1 3.29Å; F415-E419 WeakPolarHBondContact CE1-OE1 3.45Å; F415-E419 HydrophobicContact CZ-CG 4.49Å; F415-E419 WeakPolarHBondContact CZ-OE1 3.18Å; F415-E419 PolarHBondContact O-N 2.97Å; F415-E419 VanDerWaalsContact O-N 3.15Å; F415-H449 AromaticContact CZ-CE1 3.93Å; F415-H449 AromaticContact CZ-ND1 3.75Å; F415-L588 HydrophobicContact CD2-CD1 4.04Å; F415-L588 HydrophobicContact CE2-CD1 3.51Å; F415-L588 HydrophobicContact CZ-CD1 3.98Å; F415-V593 HydrophobicContact CD2-CG1 4.2Å; F415-V593 HydrophobicContact CE2-CB 4.26Å; F415-V593 HydrophobicContact CE2-CG1 3.83Å; F415-P595 HydrophobicContact CE1-CB 4.01Å; F415-P595 HydrophobicContact CE1-CG 4.26Å; F415-P595 HydrophobicContact CZ-CB 3.98Å; F415-P595 HydrophobicContact CZ-CG 3.88Å; F415-P596 HydrophobicContact CB-CG 4.07Å; F415-P596 VanDerWaalsContact CD1-CD 3.41Å; F415-P596 HydrophobicContact CD1-CG 4.09Å; F415-P596 HydrophobicContact CG-CG 4.09Å
416Y98.5Very high96.4Very high0 Ų031.3 Ų31.30%015%0.154CC..Hα-helixtrans-64.4-39.5-179.5-58.2-45.5000112.8L398 Y401 L408 Y412 A418 E419 I420 M444 I450 M504L398-Y416 HydrophobicContact CD2-CD2 4.15Å; L398-Y416 HydrophobicContact CD2-CE2 4.25Å; L398-Y416 HydrophobicContact CD2-CG 4.45Å; Y401-Y416 HydrophobicContact CE1-CE2 4.15Å; L408-Y416 HydrophobicContact CD1-CD2 3.96Å; L408-Y416 HydrophobicContact CD1-CE2 4Å; Y412-Y416 WeakPolarHBondContact O-CD2 3.15Å; Y412-Y416 PolarHBondContact O-N 3.36Å; Y412-Y416 VanDerWaalsContact O-N 3.12Å; Y416-A418 VanDerWaalsContact C-N 3.29Å; Y416-A418 PolarHBondContact O-N 3.15Å; Y416-E419 PolarHBondContact O-N 3.39Å; Y416-I420 WeakPolarHBondContact O-CD1 3.49Å; Y416-I420 WeakPolarHBondContact O-CG1 3.33Å; Y416-I420 PolarHBondContact O-N 2.84Å; Y416-M444 HydrophobicContact CE1-CE 3.78Å; Y416-M444 HydrophobicContact CE2-CE 4.34Å; Y416-M444 WeakPolarHBondContact OH-CE 3.37Å; Y416-I450 HydrophobicContact CD1-CG2 3.52Å; Y416-I450 HydrophobicContact CE1-CG2 4.23Å; Y416-I450 HydrophobicContact CG-CG2 4.17Å; Y416-M504 HydrophobicContact CD2-SD 4.28Å
417A98.6Very high97.2Very high0 Ų024.9 Ų24.90%012%0.12CC..Hα-helixtrans-63.1-3617600000112.3A413 R414 F415 I420 C421 L497 M501 M504 F580A413-A417 WeakPolarHBondContact O-CB 3.34Å; A413-A417 PolarHBondContact O-N 2.87Å; R414-A417 PolarHBondContact O-N 2.99Å; F415-A417 PolarHBondContact O-N 3.24Å; A417-I420 PolarHBondContact O-N 2.86Å; A417-C421 WeakPolarHBondContact O-CB 3.37Å; A417-C421 PolarHBondContact O-N 2.94Å; A417-C421 PolarHBondContact O-SG 3.03Å; A417-L497 HydrophobicContact CB-CD1 4.38Å; A417-M501 HydrophobicContact CB-CE 4.03Å; A417-M501 HydrophobicContact CB-CG 3.83Å; A417-M501 HydrophobicContact CB-SD 3.84Å; A417-M504 HydrophobicContact CB-CE 4.37Å; A417-F580 HydrophobicContact CB-CE1 4Å; A417-F580 HydrophobicContact CB-CZ 4.04Å
418A98.6Very high97.4Very high0 Ų019 Ų190%010%0.099CC..Hα-helixtrans-68.4-40.9177.600000112R414 F415 Y416 C421 I422 F580 I583 W585 L588R414-A418 WeakPolarHBondContact O-CB 3.42Å; R414-A418 PolarHBondContact O-N 3.08Å; F415-A418 PolarHBondContact O-N 3.16Å; F415-A418 VanDerWaalsContact O-N 3.14Å; Y416-A418 VanDerWaalsContact C-N 3.29Å; Y416-A418 PolarHBondContact O-N 3.15Å; A418-C421 WeakPolarHBondContact O-CB 3.37Å; A418-C421 PolarHBondContact O-N 3.41Å; A418-I422 WeakPolarHBondContact O-CG1 3.43Å; A418-I422 PolarHBondContact O-N 2.8Å; A418-I422 VanDerWaalsContact O-N 3.1Å; A418-F580 HydrophobicContact CB-CD1 4.09Å; A418-F580 HydrophobicContact CB-CE1 4.03Å; A418-I583 HydrophobicContact CB-CD1 4.32Å; A418-I583 HydrophobicContact CB-CG1 4.14Å; A418-I583 HydrophobicContact CB-CG2 4.15Å; A418-W585 HydrophobicContact CB-CH2 3.93Å; A418-W585 HydrophobicContact CB-CZ3 3.83Å; A418-W585 WeakPolarHBondContact O-CZ3 3.39Å; A418-L588 HydrophobicContact CB-CD2 3.43Å; A418-L588 VanDerWaalsContact CB-CD2 3.43Å
419E98.6Very high97.4Very high0 Ų022.6 Ų22.60%012%0.115CC..Hα-helixtrans-65-41174.1-63-171.8147.300112.2F372 F415 Y416 C421 I422 A423 H449 I450 L588F372-E419 HydrophobicContact CD1-CB 4.2Å; F372-E419 HydrophobicContact CD1-CG 4.34Å; F372-E419 HydrophobicContact CD2-CB 4.09Å; F372-E419 HydrophobicContact CE1-CB 4.18Å; F372-E419 VanDerWaalsContact CE1-CD 3.47Å; F372-E419 HydrophobicContact CE1-CG 3.83Å; F372-E419 WeakPolarHBondContact CE1-OE1 3.27Å; F372-E419 HydrophobicContact CE2-CB 4.07Å; F372-E419 HydrophobicContact CE2-CG 4.03Å; F372-E419 HydrophobicContact CG-CB 4.16Å; F372-E419 HydrophobicContact CZ-CB 4.1Å; F372-E419 HydrophobicContact CZ-CG 3.64Å; F372-E419 WeakPolarHBondContact CZ-OE1 3.31Å; F415-E419 VanDerWaalsContact CE1-CD 3.44Å; F415-E419 HydrophobicContact CE1-CG 4.3Å; F415-E419 VanDerWaalsContact CE1-OE1 3.29Å; F415-E419 WeakPolarHBondContact CE1-OE1 3.45Å; F415-E419 HydrophobicContact CZ-CG 4.49Å; F415-E419 WeakPolarHBondContact CZ-OE1 3.18Å; F415-E419 PolarHBondContact O-N 2.97Å; F415-E419 VanDerWaalsContact O-N 3.15Å; Y416-E419 PolarHBondContact O-N 3.39Å; E419-C421 VanDerWaalsContact C-N 3.32Å; E419-C421 PolarHBondContact O-N 2.91Å; E419-I422 PolarHBondContact O-N 2.83Å; E419-A423 PolarHBondContact O-N 2.54Å; E419-H449 IonicContact OE1-CE1 2.67Å; E419-H449 IonicContact OE1-CG 3.02Å; E419-H449 IonicContact OE1-ND1 3.81Å; E419-H449 PolarHBondContact OE1-ND1 3.18Å; E419-I450 HydrophobicContact CB-CD1 4Å; E419-I450 HydrophobicContact CB-CG1 3.4Å; E419-I450 HydrophobicContact CG-CG1 4.35Å; E419-I450 VanDerWaalsContact OE2-CG1 3.24Å; E419-I450 WeakPolarHBondContact OE2-CG1 3.4Å; E419-I450 PolarHBondContact OE2-N 3.24Å; E419-L588 HydrophobicContact CG-CD1 3.85Å; E419-L588 HydrophobicContact CG-CD2 4.01Å; E419-L588 HydrophobicContact CG-CG 4.02Å
420I98.7Very high97.3Very high0 Ų024.1 Ų24.10%011%0.109CC..Hα-helixtrans-62.8-40.7174.5-64.2163.4000110.6Y416 A417 I422 A423 L424 L437 V442 I450 L452 L497 L500Y416-I420 WeakPolarHBondContact O-CD1 3.49Å; Y416-I420 WeakPolarHBondContact O-CG1 3.33Å; Y416-I420 PolarHBondContact O-N 2.84Å; A417-I420 PolarHBondContact O-N 2.86Å; I420-I422 VanDerWaalsContact C-N 3.34Å; I420-I422 PolarHBondContact O-N 2.86Å; I420-A423 PolarHBondContact O-N 3.13Å; I420-L424 HydrophobicContact CG2-CD1 3.96Å; I420-L424 HydrophobicContact CG2-CG 4.11Å; I420-L424 WeakPolarHBondContact O-CB 3.41Å; I420-L424 WeakPolarHBondContact O-CG 3.42Å; I420-L424 PolarHBondContact O-N 3.42Å; I420-L437 HydrophobicContact CG2-CD1 4.06Å; I420-L437 HydrophobicContact CG2-CD2 3.94Å; I420-V442 HydrophobicContact CD1-CG1 4.2Å; I420-V442 HydrophobicContact CD1-CG2 4.12Å; I420-V442 HydrophobicContact CG1-CG1 4.34Å; I420-I450 HydrophobicContact CG1-CD1 3.9Å; I420-I450 HydrophobicContact CG1-CG1 4.25Å; I420-L452 HydrophobicContact CG1-CD2 4.3Å; I420-L452 HydrophobicContact CG2-CD2 4.5Å; I420-L497 HydrophobicContact CB-CD1 4.2Å; I420-L497 HydrophobicContact CD1-CD1 4.34Å; I420-L497 HydrophobicContact CG2-CD1 3.85Å; I420-L500 HydrophobicContact CD1-CD1 4.43Å; I420-L500 HydrophobicContact CD1-CD2 4.09Å
421C98.5Very high97.2Very high0 Ų022.1 Ų22.10%010%0.101CC..Hα-helixtrans-56.1-46.5174.2-81.70000111.9A417 A418 E419 L424 N425 W494 L497 F571 W585A417-C421 WeakPolarHBondContact O-CB 3.37Å; A417-C421 PolarHBondContact O-N 2.94Å; A417-C421 PolarHBondContact O-SG 3.03Å; A418-C421 WeakPolarHBondContact O-CB 3.37Å; A418-C421 PolarHBondContact O-N 3.41Å; E419-C421 VanDerWaalsContact C-N 3.32Å; E419-C421 PolarHBondContact O-N 2.91Å; C421-L424 PolarHBondContact O-N 3.47Å; C421-N425 WeakPolarHBondContact O-CB 3.43Å; C421-N425 PolarHBondContact O-N 3.01Å; C421-W494 HydrophobicContact CB-CZ3 4.38Å; C421-L497 WeakPolarHBondContact SG-CD2 3.29Å; C421-F571 HydrophobicContact CB-CE2 3.76Å; C421-F571 HydrophobicContact CB-CZ 3.94Å; C421-F571 WeakPolarHBondContact O-CE2 3.37Å; C421-W585 HydrophobicContact CB-CH2 4.13Å; C421-W585 HydrophobicContact CB-CZ3 3.93Å
422I98.3Very high97.2Very high6 Ų617.4 Ų17.43%0.0318%0.076CC..Hα-helixtrans-61.8-48.2177.5-65.9164.3000110.2F372 A418 E419 I420 L424 N425 F426 W585 L588 E589F372-I422 HydrophobicContact CD2-CB 4.05Å; F372-I422 HydrophobicContact CD2-CG2 3.92Å; F372-I422 HydrophobicContact CE2-CB 4.24Å; F372-I422 HydrophobicContact CE2-CD1 3.84Å; F372-I422 HydrophobicContact CE2-CG2 4.13Å; A418-I422 WeakPolarHBondContact O-CG1 3.43Å; A418-I422 PolarHBondContact O-N 2.8Å; A418-I422 VanDerWaalsContact O-N 3.1Å; E419-I422 PolarHBondContact O-N 2.83Å; I420-I422 VanDerWaalsContact C-N 3.34Å; I420-I422 PolarHBondContact O-N 2.86Å; I422-L424 PolarHBondContact O-N 2.89Å; I422-N425 PolarHBondContact O-N 2.81Å; I422-F426 PolarHBondContact O-N 3.16Å; I422-W585 HydrophobicContact CD1-CE3 4.04Å; I422-W585 HydrophobicContact CD1-CZ3 4.49Å; I422-W585 HydrophobicContact CG1-CE3 3.9Å; I422-W585 HydrophobicContact CG1-CZ3 4.12Å; I422-L588 HydrophobicContact CD1-CB 4.27Å; I422-L588 HydrophobicContact CD1-CD2 3.88Å; I422-L588 HydrophobicContact CD1-CG 4.03Å; I422-E589 HydrophobicContact CD1-CB 4.16Å; I422-E589 HydrophobicContact CG2-CB 4.37Å; I422-E589 HydrophobicContact CG2-CG 4Å
423A98.4Very high97.1Very high0 Ų013.7 Ų13.70%06%0.061CC..Hα-helixtrans-60.1-44.2178.900000113.2F372 L373 E419 I420 L427 L452F372-A423 HydrophobicContact CB-CB 3.96Å; L373-A423 HydrophobicContact CD2-CB 3.88Å; L373-A423 HydrophobicContact CG-CB 4.35Å; E419-A423 PolarHBondContact O-N 2.54Å; I420-A423 PolarHBondContact O-N 3.13Å; A423-L427 WeakPolarHBondContact O-CG 3.26Å; A423-L427 PolarHBondContact O-N 3.5Å; A423-L452 HydrophobicContact CB-CD1 3.69Å; A423-L452 HydrophobicContact CB-CG 4.02Å
424L98.1Very high97.1Very high0 Ų013.7 Ų13.70%06%0.061CC..Hα-helixtrans-67.1-43.5177.1-71.7178.5000111.8I420 C421 I422 F426 L427 H428 Y434 L437 L452 D493 W494I420-L424 HydrophobicContact CG2-CD1 3.96Å; I420-L424 HydrophobicContact CG2-CG 4.11Å; I420-L424 WeakPolarHBondContact O-CB 3.41Å; I420-L424 WeakPolarHBondContact O-CG 3.42Å; I420-L424 PolarHBondContact O-N 3.42Å; C421-L424 PolarHBondContact O-N 3.47Å; I422-L424 PolarHBondContact O-N 2.89Å; L424-F426 VanDerWaalsContact C-N 3.32Å; L424-F426 PolarHBondContact O-N 3.46Å; L424-L427 PolarHBondContact O-N 2.79Å; L424-L427 VanDerWaalsContact O-N 3.16Å; L424-H428 PolarHBondContact O-CD2 3.28Å; L424-H428 VanDerWaalsContact O-CD2 3.24Å; L424-H428 PolarHBondContact O-N 2.78Å; L424-Y434 HydrophobicContact CD2-CD1 4.11Å; L424-Y434 HydrophobicContact CD2-CG 4.35Å; L424-L437 HydrophobicContact CD1-CD2 4.18Å; L424-L452 HydrophobicContact CD2-CD1 4.17Å; L424-L452 HydrophobicContact CG-CD1 4.48Å; L424-D493 HydrophobicContact CD1-CB 4.11Å; L424-D493 HydrophobicContact CD2-CB 4.05Å; L424-W494 HydrophobicContact CB-CH2 4.04Å; L424-W494 HydrophobicContact CB-CZ3 4.35Å; L424-W494 HydrophobicContact CD1-CE3 4.23Å; L424-W494 HydrophobicContact CD1-CH2 4.45Å; L424-W494 HydrophobicContact CD1-CZ3 3.97Å
425N96.5Very high96.9Very high24 Ų2413.3 Ų13.313%0.1286%0.059CC..Hα-helixtrans-59.5-44.4179-173.764.7000111.4C421 I422 L427 H428 E429 F571C421-N425 WeakPolarHBondContact O-CB 3.43Å; C421-N425 PolarHBondContact O-N 3.01Å; I422-N425 PolarHBondContact O-N 2.81Å; N425-L427 VanDerWaalsContact C-N 3.28Å; N425-L427 PolarHBondContact O-N 2.76Å; N425-H428 PolarHBondContact O-N 3.5Å; N425-H428 VanDerWaalsContact O-N 3.13Å; N425-E429 PolarHBondContact ND2-OE1 2.83Å; N425-E429 WeakPolarHBondContact O-CB 3.29Å; N425-E429 WeakPolarHBondContact O-CG 3.4Å; N425-E429 PolarHBondContact O-N 3.06Å; N425-F571 HydrophobicContact CB-CD1 4.17Å; N425-F571 HydrophobicContact CB-CD2 3.69Å; N425-F571 HydrophobicContact CB-CE1 4.2Å; N425-F571 HydrophobicContact CB-CE2 3.74Å; N425-F571 HydrophobicContact CB-CG 3.93Å; N425-F571 HydrophobicContact CB-CZ 4Å; N425-F571 VanDerWaalsContact CG-CG 3.47Å; N425-F571 VanDerWaalsContact OD1-CB 3.23Å; N425-F571 WeakPolarHBondContact OD1-CB 3.46Å; N425-F571 WeakPolarHBondContact OD1-CG 3.43Å
426F96.8Very high96.8Very high20 Ų2012.9 Ų12.99%0.0886%0.058CC..Hα-helixtrans-56-41.2176.1173.2-90000112.9C366 H370 L373 I422 L424C366-F426 WeakPolarHBondContact O-CE1 3.48Å; C366-F426 WeakPolarHBondContact O-CZ 3.32Å; H370-F426 HydrophobicContact CB-CD1 4.41Å; H370-F426 HydrophobicContact CB-CE1 4.22Å; H370-F426 HydrophobicContact CB-CE2 4.46Å; H370-F426 HydrophobicContact CB-CZ 4.25Å; H370-F426 AromaticContact CD2-CD1 3.97Å; H370-F426 AromaticContact CD2-CD2 3.37Å; H370-F426 WeakPolarHBondContact CD2-CD2 3.36Å; H370-F426 AromaticContact CD2-CE2 3.9Å; H370-F426 AromaticContact CD2-CG 3.4Å; H370-F426 WeakPolarHBondContact CD2-CG 3.2Å; H370-F426 AromaticContact NE2-CG 3.87Å; L373-F426 HydrophobicContact CD1-CD1 3.49Å; L373-F426 VanDerWaalsContact CD1-CD1 3.49Å; L373-F426 HydrophobicContact CD1-CE1 3.79Å; L373-F426 HydrophobicContact CD1-CG 4.48Å; I422-F426 PolarHBondContact O-N 3.16Å; L424-F426 VanDerWaalsContact C-N 3.32Å; L424-F426 PolarHBondContact O-N 3.46Å
427L96.6Very high96.8Very high0 Ų012.9 Ų12.90%06%0.058CC..Hα-helixtrans-69.7-44.3175.8-67.2175.7000111.3V363 L373 A423 L424 N425 E429 R430 G431 I432 Y434V363-L427 HydrophobicContact CG1-CD2 4.27Å; L373-L427 HydrophobicContact CD1-CD2 3.92Å; L373-L427 HydrophobicContact CD1-CG 4.13Å; L373-L427 HydrophobicContact CD2-CD1 4.24Å; A423-L427 WeakPolarHBondContact O-CG 3.26Å; A423-L427 PolarHBondContact O-N 3.5Å; L424-L427 PolarHBondContact O-N 2.79Å; L424-L427 VanDerWaalsContact O-N 3.16Å; N425-L427 VanDerWaalsContact C-N 3.28Å; N425-L427 PolarHBondContact O-N 2.76Å; L427-E429 PolarHBondContact O-N 3.08Å; L427-R430 CarbonylContact O-C 3.43Å; L427-R430 PolarHBondContact O-N 3.08Å; L427-R430 VanDerWaalsContact O-N 3.1Å; L427-G431 PolarHBondContact O-N 3.36Å; L427-I432 CarbonylContact C-O 3.25Å; L427-I432 HydrophobicContact CB-CB 4.15Å; L427-I432 HydrophobicContact CB-CG2 4.37Å; L427-I432 HydrophobicContact CD2-CB 4.47Å; L427-I432 HydrophobicContact CD2-CD1 4.22Å; L427-I432 HydrophobicContact CD2-CG2 4.28Å; L427-I432 WeakPolarHBondContact O-CB 3.44Å; L427-I432 PolarHBondContact O-N 2.93Å; L427-Y434 HydrophobicContact CD1-CD2 4.35Å; L427-Y434 HydrophobicContact CD1-CG 4.49Å
428H95.4Very high96.6Very high17 Ų1713.5 Ų13.58%0.0796%0.06CC..Hα-helixtrans-62.9-41.9-178.9-67.1179.9000111.9L424 N425 R430 G431 I432 F490 D493 W494L424-H428 PolarHBondContact O-CD2 3.28Å; L424-H428 VanDerWaalsContact O-CD2 3.24Å; L424-H428 PolarHBondContact O-N 2.78Å; N425-H428 PolarHBondContact O-N 3.5Å; N425-H428 VanDerWaalsContact O-N 3.13Å; H428-R430 PolarHBondContact O-N 3.28Å; H428-G431 PolarHBondContact O-N 2.89Å; H428-I432 PolarHBondContact CD2-O 3.5Å; H428-I432 VanDerWaalsContact CD2-O 3.32Å; H428-F490 HydrophobicContact CB-CD1 3.88Å; H428-F490 HydrophobicContact CB-CE1 4.13Å; H428-F490 HydrophobicContact CB-CG 4.15Å; H428-F490 AromaticContact CD2-CD1 3.45Å; H428-F490 VanDerWaalsContact CD2-CD1 3.45Å; H428-F490 WeakPolarHBondContact CD2-CD1 3.43Å; H428-F490 AromaticContact CG-CD1 3.57Å; H428-F490 AromaticContact CG-CG 3.84Å; H428-F490 AromaticContact NE2-CD1 3.99Å; H428-F490 WeakPolarHBondContact O-CZ 3.45Å; H428-D493 IonicContact CD2-OD2 3.29Å; H428-D493 IonicContact CE1-OD2 2.66Å; H428-D493 IonicContact NE2-OD2 3.91Å; H428-D493 PolarHBondContact NE2-OD2 3.19Å; H428-W494 AromaticContact CE1-CE2 3.76Å; H428-W494 AromaticContact CE1-CZ2 3.87Å; H428-W494 AromaticContact CE1-NE1 3.67Å; H428-W494 AromaticContact ND1-CE2 3.81Å; H428-W494 AromaticContact ND1-CZ2 3.66Å; H428-W494 AromaticContact ND1-NE1 3.67Å
429E93.5Very high96.3Very high87 Ų8713.7 Ų13.741%0.4076%0.062SC..Hα-helixtrans-61.3-23.3175.6-75.3173.816500113I289 N425 L427I289-E429 WeakPolarHBondContact CD1-OE2 3.37Å; I289-E429 WeakPolarHBondContact CG1-OE2 3.32Å; N425-E429 PolarHBondContact ND2-OE1 2.83Å; N425-E429 WeakPolarHBondContact O-CB 3.29Å; N425-E429 WeakPolarHBondContact O-CG 3.4Å; N425-E429 PolarHBondContact O-N 3.06Å; L427-E429 PolarHBondContact O-N 3.08Å
430R93.8Very high96Very high89 Ų8917 Ų1734%0.3368%0.079SC..THydrogen-bonded Turntrans-98.111.5175.2-67.3177.2170.558.17.3113.1C366 L427 H428 I432C366-R430 WeakPolarHBondContact SG-CD 3.37Å; L427-R430 CarbonylContact O-C 3.43Å; L427-R430 PolarHBondContact O-N 3.08Å; L427-R430 VanDerWaalsContact O-N 3.1Å; H428-R430 PolarHBondContact O-N 3.28Å; R430-I432 HydrophobicContact CB-CD1 4.16Å
431G94.4Very high95.9Very high5 Ų517.6 Ų17.65%0.0528%0.082CC..THydrogen-bonded Turntrans71.827.9177.500000114.1L427 H428 E460 G461 I462L427-G431 PolarHBondContact O-N 3.36Å; H428-G431 PolarHBondContact O-N 2.89Å; G431-E460 CarbonylContact O-C 3.3Å; G431-E460 WeakPolarHBondContact O-CA 3.09Å; G431-G461 PolarHBondContact O-N 3.41Å; G431-G461 VanDerWaalsContact O-N 3.13Å; G431-I462 WeakPolarHBondContact CA-O 3.33Å; G431-I462 WeakPolarHBondContact O-CB 3.23Å; G431-I462 PolarHBondContact O-N 3.34Å
432I95.5Very high95.8Very high3 Ų317.6 Ų17.62%0.0158%0.082CC..  trans-110.9122-178.7-59.3161000109.7V363 C366 L427 H428 R430 C458 K459 E460V363-I432 HydrophobicContact CG1-CG2 4.41Å; V363-I432 HydrophobicContact CG2-CD1 4.14Å; V363-I432 HydrophobicContact CG2-CG1 4.44Å; V363-I432 HydrophobicContact CG2-CG2 3.96Å; C366-I432 HydrophobicContact CB-CD1 4.35Å; L427-I432 CarbonylContact C-O 3.25Å; L427-I432 HydrophobicContact CB-CB 4.15Å; L427-I432 HydrophobicContact CB-CG2 4.37Å; L427-I432 HydrophobicContact CD2-CB 4.47Å; L427-I432 HydrophobicContact CD2-CD1 4.22Å; L427-I432 HydrophobicContact CD2-CG2 4.28Å; L427-I432 WeakPolarHBondContact O-CB 3.44Å; L427-I432 PolarHBondContact O-N 2.93Å; H428-I432 PolarHBondContact CD2-O 3.5Å; H428-I432 VanDerWaalsContact CD2-O 3.32Å; R430-I432 HydrophobicContact CB-CD1 4.16Å; I432-C458 HydrophobicContact CG2-CB 4.04Å; I432-K459 CarbonylContact C-O 3.6Å; I432-K459 WeakPolarHBondContact CA-O 3.23Å; I432-E460 HydrophobicContact CG1-CB 4.18Å
433I96Very high95.8Very high0 Ų018.9 Ų18.90%09%0.089CC..BIsolated β-bridgetrans-93.4132.1168-47165.4000108.2R435 C458 K459 I462 T468 F490 V492 D493I433-R435 HydrophobicContact CB-CG 3.92Å; I433-R435 HydrophobicContact CG2-CG 3.4Å; I433-R435 VanDerWaalsContact CG2-CG 3.4Å; I433-C458 CarbonylContact O-C 3.57Å; I433-C458 WeakPolarHBondContact O-CA 3.05Å; I433-K459 HydrophobicContact CB-CB 4.46Å; I433-K459 PolarHBondContact N-O 2.87Å; I433-K459 PolarHBondContact O-N 3.32Å; I433-I462 HydrophobicContact CD1-CD1 4.1Å; I433-I462 HydrophobicContact CD1-CG1 3.7Å; I433-I462 HydrophobicContact CD1-CG2 4.36Å; I433-I462 HydrophobicContact CG1-CB 4.45Å; I433-I462 HydrophobicContact CG1-CG1 3.92Å; I433-T468 HydrophobicContact CD1-CG2 3.97Å; I433-F490 HydrophobicContact CG1-CD1 3.68Å; I433-F490 HydrophobicContact CG1-CE1 3.91Å; I433-V492 HydrophobicContact CG2-CG2 3.64Å; I433-D493 WeakPolarHBondContact CG2-OD2 3.23Å
434Y97.4Very high95.6Very high0 Ų019 Ų190%09%0.09CC..  trans-79.1-44.7-175.6-179.3-126.6000113.4L424 L427 D436 L437 N441 L452 T453 Y455 D493L424-Y434 HydrophobicContact CD2-CD1 4.11Å; L424-Y434 HydrophobicContact CD2-CG 4.35Å; L427-Y434 HydrophobicContact CD1-CD2 4.35Å; L427-Y434 HydrophobicContact CD1-CG 4.49Å; Y434-D436 PolarHBondContact O-N 2.69Å; Y434-L437 HydrophobicContact CD1-CB 3.84Å; Y434-L437 HydrophobicContact CE1-CB 3.85Å; Y434-L437 HydrophobicContact CE1-CD1 4.04Å; Y434-N441 WeakPolarHBondContact OH-CB 3.47Å; Y434-L452 HydrophobicContact CD1-CD1 4.49Å; Y434-L452 HydrophobicContact CE1-CD1 4.32Å; Y434-T453 WeakPolarHBondContact CE2-O 3.5Å; Y434-T453 PolarHBondContact OH-O 2.91Å; Y434-Y455 HydrophobicContact CD2-CD1 4.23Å; Y434-Y455 AromaticContact CE2-CD1 3.89Å; Y434-Y455 HydrophobicContact CE2-CD1 3.89Å; Y434-Y455 HydrophobicContact CE2-CE1 4.27Å; Y434-D493 PolarHBondContact N-OD2 3.2Å
435R95.5Very high95.4Very high16 Ų1619.8 Ų19.86%0.069%0.094CC..  trans64.4-4.3170.8-53.5-169.1-63.3177.2-3.2118.5I433 M457 C458 C472 G473 Y488 V492 D493I433-R435 HydrophobicContact CB-CG 3.92Å; I433-R435 HydrophobicContact CG2-CG 3.4Å; I433-R435 VanDerWaalsContact CG2-CG 3.4Å; R435-M457 PolarHBondContact NE-O 3.2Å; R435-M457 PolarHBondContact NH2-O 3.17Å; R435-C458 PolarHBondContact NH2-O 2.88Å; R435-C472 VanDerWaalsContact CZ-SG 3.59Å; R435-C472 PolarHBondContact NH1-SG 3.28Å; R435-G473 WeakPolarHBondContact O-CA 3.35Å; R435-Y488 WeakPolarHBondContact CD-OH 3.35Å; R435-Y488 HydrophobicContact CG-CE2 4.49Å; R435-Y488 PolarHBondContact NH1-OH 3.18Å; R435-V492 HydrophobicContact CG-CG2 4.31Å; R435-D493 WeakPolarHBondContact CA-OD1 3.48Å; R435-D493 PolarHBondContact N-OD1 3.08Å
436D95.2Very high95.2Very high3 Ų321 Ų212%0.01610%0.104CC..  trans-134.338.5175.7-156.940000113.4Y434 K438 N441 M457 T474Y434-D436 PolarHBondContact O-N 2.69Å; D436-K438 PolarHBondContact O-N 2.68Å; D436-K438 IonicContact OD1-NZ 2.85Å; D436-K438 IonicContact OD2-NZ 2.66Å; D436-K438 PolarHBondContact OD2-NZ 3.3Å; D436-N441 PolarHBondContact O-ND2 3.48Å; D436-N441 PolarHBondContact OD2-ND2 3.49Å; D436-N441 VanDerWaalsContact OD2-ND2 3.08Å; D436-M457 HydrophobicContact CB-CB 3.83Å; D436-M457 HydrophobicContact CB-CG 3.93Å; D436-T474 PolarHBondContact OD1-N 2.91Å; D436-T474 PolarHBondContact OD1-OG1 2.79Å
437L98.1Very high95.1Very high0 Ų024.9 Ų24.90%012%0.122CC..  trans-66.2120.6170.6-174.765.9000111I420 L424 Y434 V442 L452 Y477 A496 L497 L500I420-L437 HydrophobicContact CG2-CD1 4.06Å; I420-L437 HydrophobicContact CG2-CD2 3.94Å; L424-L437 HydrophobicContact CD1-CD2 4.18Å; Y434-L437 HydrophobicContact CD1-CB 3.84Å; Y434-L437 HydrophobicContact CE1-CB 3.85Å; Y434-L437 HydrophobicContact CE1-CD1 4.04Å; L437-V442 HydrophobicContact CD1-CG2 3.85Å; L437-L452 HydrophobicContact CD1-CD2 3.9Å; L437-Y477 WeakPolarHBondContact O-CD1 3.43Å; L437-A496 HydrophobicContact CB-CB 3.9Å; L437-A496 HydrophobicContact CD2-CB 4.32Å; L437-A496 HydrophobicContact CG-CB 4.49Å; L437-L497 HydrophobicContact CD2-CB 3.88Å; L437-L497 HydrophobicContact CD2-CD1 4.39Å; L437-L500 HydrophobicContact CD1-CD1 3.91Å; L437-L500 HydrophobicContact CD2-CD1 4.36Å; L437-L500 HydrophobicContact CG-CD1 3.83Å
438K95.1Very high95.1Very high13 Ų1324.9 Ų24.96%0.05712%0.122CC..  trans-158.3163.617765.3-162.1-174.4-151.60109.6D436 D440 N441 T474 Y477D436-K438 PolarHBondContact O-N 2.68Å; D436-K438 IonicContact OD1-NZ 2.85Å; D436-K438 IonicContact OD2-NZ 2.66Å; D436-K438 PolarHBondContact OD2-NZ 3.3Å; K438-D440 HydrophobicContact CG-CB 4.27Å; K438-D440 PolarHBondContact O-N 2.76Å; K438-N441 WeakPolarHBondContact CE-ND2 3.48Å; K438-N441 WeakPolarHBondContact CE-OD1 3.37Å; K438-N441 HydrophobicContact CG-CB 4.02Å; K438-N441 PolarHBondContact O-N 3.22Å; K438-T474 HydrophobicContact CD-CG2 4.06Å; K438-T474 WeakPolarHBondContact CD-OG1 3.48Å; K438-T474 PolarHBondContact NZ-OG1 3.01Å; K438-Y477 HydrophobicContact CB-CD2 3.74Å; K438-Y477 HydrophobicContact CB-CE1 4.27Å; K438-Y477 HydrophobicContact CB-CE2 3.34Å; K438-Y477 HydrophobicContact CB-CG 4.32Å
439L92.9Very high95.2Very high5 Ų524.2 Ų24.23%0.02612%0.12CC..G310 helixtrans-55.1-37.8-177.6-69.9170.2000113.3L398 M399 M402 N441 V442 Y477 L500 E503 M504L398-L439 HydrophobicContact CB-CB 4.45Å; L398-L439 HydrophobicContact CB-CD2 3.9Å; L398-L439 PolarHBondContact N-O 2.85Å; M399-L439 HydrophobicContact CB-CB 3.78Å; M399-L439 HydrophobicContact CE-CB 3.98Å; M399-L439 HydrophobicContact CE-CD1 4.05Å; M399-L439 PolarHBondContact N-O 2.99Å; M399-L439 HydrophobicContact SD-CB 4.46Å; M399-L439 HydrophobicContact SD-CD1 4.16Å; M402-L439 HydrophobicContact CB-CD1 4.47Å; M402-L439 HydrophobicContact CG-CD1 4.14Å; M402-L439 HydrophobicContact CG-CD2 4.07Å; L439-N441 VanDerWaalsContact C-N 3.28Å; L439-N441 PolarHBondContact O-N 3.38Å; L439-V442 PolarHBondContact O-N 3.1Å; L439-Y477 PolarHBondContact N-OH 3.47Å; L439-L500 HydrophobicContact CD2-CD1 4.49Å; L439-L500 HydrophobicContact CD2-CD2 4.05Å; L439-L500 HydrophobicContact CD2-CG 3.89Å; L439-L500 HydrophobicContact CG-CG 4.35Å; L439-E503 HydrophobicContact CD1-CB 4.19Å; L439-E503 WeakPolarHBondContact CD1-OE2 3.41Å; L439-M504 HydrophobicContact CD2-CG 4.33Å
440D91Very high95.4Very high70 Ų7020.1 Ų20.137%0.37410%0.1SC..G310 helixtrans-68.3-24.9-179.7-45.2-103.8000113.5M399 K438M399-D440 HydrophobicContact CB-CB 4.48Å; M399-D440 WeakPolarHBondContact CE-OD2 3.44Å; M399-D440 WeakPolarHBondContact CG-OD1 3.47Å; K438-D440 HydrophobicContact CG-CB 4.27Å; K438-D440 PolarHBondContact O-N 2.76Å
441N96.1Very high95.6Very high12 Ų1216.4 Ų16.46%0.0649%0.087CC..G310 helixtrans-95.55-178.4-73.9-3.8000113Y434 D436 K438 L439 T453Y434-N441 WeakPolarHBondContact OH-CB 3.47Å; D436-N441 PolarHBondContact O-ND2 3.48Å; D436-N441 PolarHBondContact OD2-ND2 3.49Å; D436-N441 VanDerWaalsContact OD2-ND2 3.08Å; K438-N441 WeakPolarHBondContact CE-ND2 3.48Å; K438-N441 WeakPolarHBondContact CE-OD1 3.37Å; K438-N441 HydrophobicContact CG-CB 4.02Å; K438-N441 PolarHBondContact O-N 3.22Å; L439-N441 VanDerWaalsContact C-N 3.28Å; L439-N441 PolarHBondContact O-N 3.38Å; N441-T453 HydrophobicContact CB-CG2 4.48Å; N441-T453 PolarHBondContact O-N 2.96Å; N441-T453 VanDerWaalsContact O-N 3.13Å
442V97.9Very high95.8Very high0 Ų016.2 Ų16.20%08%0.084CC..EExtended strand (participates in β ladder)trans-106.995.2172.9-172.30000108.1D397 L398 I420 L437 L439 I450 L452 L500D397-V442 CarbonylContact C-O 3.54Å; D397-V442 WeakPolarHBondContact CA-O 3.49Å; L398-V442 HydrophobicContact CB-CB 4.27Å; L398-V442 HydrophobicContact CD1-CB 3.75Å; L398-V442 HydrophobicContact CD1-CG1 3.48Å; L398-V442 VanDerWaalsContact CD1-CG1 3.48Å; L398-V442 HydrophobicContact CD1-CG2 4.33Å; L398-V442 HydrophobicContact CG-CB 3.94Å; L398-V442 HydrophobicContact CG-CG1 3.8Å; L398-V442 PolarHBondContact N-O 3.37Å; I420-V442 HydrophobicContact CD1-CG1 4.2Å; I420-V442 HydrophobicContact CD1-CG2 4.12Å; I420-V442 HydrophobicContact CG1-CG1 4.34Å; L437-V442 HydrophobicContact CD1-CG2 3.85Å; L439-V442 PolarHBondContact O-N 3.1Å; V442-I450 HydrophobicContact CG1-CB 3.64Å; V442-I450 HydrophobicContact CG1-CD1 4.36Å; V442-I450 HydrophobicContact CG1-CG1 4.35Å; V442-I450 HydrophobicContact CG1-CG2 3.73Å; V442-L452 HydrophobicContact CB-CD2 4.43Å; V442-L452 HydrophobicContact CG1-CD2 4.34Å; V442-L452 HydrophobicContact CG2-CD2 3.76Å; V442-L500 HydrophobicContact CG2-CD1 3.91Å
443L96.9Very high95.8Very high33 Ų3317.1 Ų17.117%0.1739%0.09CC..EExtended strand (participates in β ladder)trans-77161177.1-52.7-174.2000110.4V374 V393 G396 D397 I450 K451 T453V374-L443 HydrophobicContact CG2-CD1 4.11Å; V393-L443 HydrophobicContact CB-CB 4.13Å; V393-L443 HydrophobicContact CB-CD1 3.9Å; V393-L443 HydrophobicContact CG1-CB 3.68Å; V393-L443 HydrophobicContact CG1-CD1 4.39Å; V393-L443 HydrophobicContact CG2-CD1 4.25Å; G396-L443 CarbonylContact O-C 3.54Å; G396-L443 WeakPolarHBondContact O-CA 3.44Å; D397-L443 HydrophobicContact CB-CD2 3.9Å; L443-I450 CarbonylContact O-C 3.57Å; L443-I450 WeakPolarHBondContact O-CA 3.42Å; L443-K451 WeakPolarHBondContact CB-O 3.44Å; L443-K451 PolarHBondContact N-O 3.19Å; L443-K451 PolarHBondContact O-N 3.15Å; L443-T453 HydrophobicContact CD1-CG2 3.87Å; L443-T453 HydrophobicContact CD2-CG2 4.04Å; L443-T453 HydrophobicContact CG-CG2 3.73Å
444M95.1Very high95.6Very high3 Ų319 Ų192%0.01510%0.1CC..EExtended strand (participates in β ladder)trans-124130.6174.8-169.7176.7-66.500110V393 G395 G396 L398 Y401 Y416 H449 Y597 P599V393-M444 VanDerWaalsContact CG1-C 3.41Å; V393-M444 WeakPolarHBondContact CG1-O 3.36Å; G395-M444 CarbonylContact C-O 3.5Å; G395-M444 WeakPolarHBondContact CA-O 3.49Å; G395-M444 PolarHBondContact N-O 2.84Å; G396-M444 PolarHBondContact O-N 3.48Å; L398-M444 HydrophobicContact CD2-CE 3.77Å; Y401-M444 HydrophobicContact CD1-CE 4.49Å; Y416-M444 HydrophobicContact CE1-CE 3.78Å; Y416-M444 HydrophobicContact CE2-CE 4.34Å; Y416-M444 WeakPolarHBondContact OH-CE 3.37Å; M444-H449 CarbonylContact C-O 3.47Å; M444-H449 WeakPolarHBondContact CA-O 3.42Å; M444-Y597 HydrophobicContact CE-CD1 4.14Å; M444-Y597 HydrophobicContact SD-CD1 3.57Å; M444-Y597 VanDerWaalsContact SD-CD1 3.57Å; M444-Y597 HydrophobicContact SD-CE1 3.81Å; M444-P599 HydrophobicContact CB-CG 4.49Å; M444-P599 HydrophobicContact CG-CG 3.82Å; M444-P599 HydrophobicContact SD-CG 3.39Å; M444-P599 WeakPolarHBondContact SD-CG 3.36Å
445D94.1Very high95.4Very high16 Ų1619 Ų199%0.08610%0.1CC..  trans-78.1174.5174.57023.4000112.5V393 E447 G448 H449 K591V393-D445 HydrophobicContact CG1-CB 4.27Å; D445-E447 PolarHBondContact O-N 3.15Å; D445-E447 VanDerWaalsContact O-N 3.14Å; D445-E447 WeakPolarHBondContact OD1-CA 3.48Å; D445-E447 WeakPolarHBondContact OD1-CB 3.47Å; D445-E447 PolarHBondContact OD1-N 3.01Å; D445-G448 PolarHBondContact O-N 3.38Å; D445-G448 VanDerWaalsContact O-N 3.11Å; D445-G448 PolarHBondContact OD1-N 3.17Å; D445-H449 PolarHBondContact N-O 3.35Å; D445-H449 PolarHBondContact OD1-N 3.1Å; D445-K591 IonicContact OD2-NZ 3.68Å; D445-K591 PolarHBondContact OD2-NZ 3.27Å
446S92.7Very high95Very high48 Ų4819.1 Ų19.134%0.33611%0.106SC..THydrogen-bonded Turntrans-65.9-10.6-17968.50000114.9N394 R598N394-S446 WeakPolarHBondContact OD1-CB 3.27Å; S446-R598 VanDerWaalsContact O-CG 3.32Å; S446-R598 WeakPolarHBondContact O-CG 3.46Å; S446-R598 PolarHBondContact O-NE 3.49Å
447E94.3Very high94.6Very high102 Ų10219.8 Ų19.848%0.47711%0.109SC..THydrogen-bonded Turntrans-96.1-22.7175.4-62.7-172.6150.400111.7D445 P595D445-E447 PolarHBondContact O-N 3.15Å; D445-E447 VanDerWaalsContact O-N 3.14Å; D445-E447 WeakPolarHBondContact OD1-CA 3.48Å; D445-E447 WeakPolarHBondContact OD1-CB 3.47Å; D445-E447 PolarHBondContact OD1-N 3.01Å; E447-P595 WeakPolarHBondContact O-CG 3.46Å
448G95.6Very high94.3Very high0 Ų020.1 Ų20.10%011%0.112CC..SBendtrans1113.9177.700000114.4D445 Y597D445-G448 PolarHBondContact O-N 3.38Å; D445-G448 VanDerWaalsContact O-N 3.11Å; D445-G448 PolarHBondContact OD1-N 3.17Å; G448-Y597 WeakPolarHBondContact CA-O 3.42Å
449H98.1Very high93.9Very high4 Ų423.4 Ų23.42%0.01913%0.126CC..  trans-80.6148.3175.8-66.4-80.6000110.7F372 F415 E419 M444 D445 K591 V593 P595F372-H449 HydrophobicContact CE1-CB 4.18Å; F372-H449 AromaticContact CE1-ND1 3.98Å; F415-H449 AromaticContact CZ-CE1 3.93Å; F415-H449 AromaticContact CZ-ND1 3.75Å; E419-H449 IonicContact OE1-CE1 2.67Å; E419-H449 IonicContact OE1-CG 3.02Å; E419-H449 IonicContact OE1-ND1 3.81Å; E419-H449 PolarHBondContact OE1-ND1 3.18Å; M444-H449 CarbonylContact C-O 3.47Å; M444-H449 WeakPolarHBondContact CA-O 3.42Å; D445-H449 PolarHBondContact N-O 3.35Å; D445-H449 PolarHBondContact OD1-N 3.1Å; H449-K591 HydrophobicContact CB-CD 4.36Å; H449-V593 PolarHBondContact CE1-O 3.45Å; H449-V593 VanDerWaalsContact CE1-O 3.29Å; H449-P595 WeakPolarHBondContact NE2-CG 3.35Å
450I98.3Very high93.8Very high0 Ų026 Ų260%014%0.138CC..EExtended strand (participates in β ladder)trans-80.7155.4179.768.992.7000112.6F372 Y416 E419 I420 V442 L443 L452F372-I450 WeakPolarHBondContact CA-O 3.47Å; F372-I450 HydrophobicContact CB-CD1 3.89Å; F372-I450 WeakPolarHBondContact CD1-O 3.43Å; F372-I450 HydrophobicContact CG-CD1 4.47Å; Y416-I450 HydrophobicContact CD1-CG2 3.52Å; Y416-I450 HydrophobicContact CE1-CG2 4.23Å; Y416-I450 HydrophobicContact CG-CG2 4.17Å; E419-I450 HydrophobicContact CB-CD1 4Å; E419-I450 HydrophobicContact CB-CG1 3.4Å; E419-I450 HydrophobicContact CG-CG1 4.35Å; E419-I450 VanDerWaalsContact OE2-CG1 3.24Å; E419-I450 WeakPolarHBondContact OE2-CG1 3.4Å; E419-I450 PolarHBondContact OE2-N 3.24Å; I420-I450 HydrophobicContact CG1-CD1 3.9Å; I420-I450 HydrophobicContact CG1-CG1 4.25Å; V442-I450 HydrophobicContact CG1-CB 3.64Å; V442-I450 HydrophobicContact CG1-CD1 4.36Å; V442-I450 HydrophobicContact CG1-CG1 4.35Å; V442-I450 HydrophobicContact CG1-CG2 3.73Å; L443-I450 CarbonylContact O-C 3.57Å; L443-I450 WeakPolarHBondContact O-CA 3.42Å; I450-L452 HydrophobicContact CD1-CD2 4.3Å; I450-L452 HydrophobicContact CD1-CG 4.45Å
451K98.3Very high93.7Very high12 Ų1224.8 Ų24.85%0.05214%0.142CC..EExtended strand (participates in β ladder)trans-137.8124.6164.9-74.3173.7171.2-89.90110.3P371 F372 L373 V374 E391 V393 L443P371-K451 WeakPolarHBondContact O-CE 3.49Å; P371-K451 PolarHBondContact O-NZ 3.48Å; F372-K451 CarbonylContact O-C 3.55Å; F372-K451 VanDerWaalsContact O-CA 3.32Å; F372-K451 WeakPolarHBondContact O-CA 3.45Å; L373-K451 PolarHBondContact O-NZ 2.86Å; V374-K451 HydrophobicContact CG2-CB 3.93Å; E391-K451 VanDerWaalsContact CD-NZ 3.28Å; E391-K451 WeakPolarHBondContact OE1-CE 2.99Å; E391-K451 IonicContact OE1-NZ 3.84Å; E391-K451 PolarHBondContact OE1-NZ 3.04Å; E391-K451 IonicContact OE2-NZ 2.62Å; E391-K451 PolarHBondContact OE2-NZ 3.42Å; V393-K451 HydrophobicContact CG1-CD 4.46Å; V393-K451 HydrophobicContact CG2-CB 4.46Å; V393-K451 HydrophobicContact CG2-CD 3.63Å; L443-K451 WeakPolarHBondContact CB-O 3.44Å; L443-K451 PolarHBondContact N-O 3.19Å; L443-K451 PolarHBondContact O-N 3.15Å
452L98.4Very high93.4Very high0 Ų024.5 Ų24.50%014%0.14CC..EExtended strand (participates in β ladder)trans-73.1141.4170.9-53.6-176.2000110.2F372 L373 V374 I420 A423 L424 Y434 L437 V442 I450 Y455F372-L452 PolarHBondContact O-N 2.77Å; L373-L452 HydrophobicContact CD2-CB 3.79Å; L373-L452 HydrophobicContact CD2-CD1 4.1Å; L373-L452 HydrophobicContact CD2-CG 4.17Å; V374-L452 WeakPolarHBondContact CG2-O 3.35Å; V374-L452 PolarHBondContact N-O 3.27Å; I420-L452 HydrophobicContact CG1-CD2 4.3Å; I420-L452 HydrophobicContact CG2-CD2 4.5Å; A423-L452 HydrophobicContact CB-CD1 3.69Å; A423-L452 HydrophobicContact CB-CG 4.02Å; L424-L452 HydrophobicContact CD2-CD1 4.17Å; L424-L452 HydrophobicContact CG-CD1 4.48Å; Y434-L452 HydrophobicContact CD1-CD1 4.49Å; Y434-L452 HydrophobicContact CE1-CD1 4.32Å; L437-L452 HydrophobicContact CD1-CD2 3.9Å; V442-L452 HydrophobicContact CB-CD2 4.43Å; V442-L452 HydrophobicContact CG1-CD2 4.34Å; V442-L452 HydrophobicContact CG2-CD2 3.76Å; I450-L452 HydrophobicContact CD1-CD2 4.3Å; I450-L452 HydrophobicContact CD1-CG 4.45Å; L452-Y455 PolarHBondContact O-OH 2.96Å
453T95.5Very high92.9Very high22 Ų2230.2 Ų30.214%0.13517%0.169CC..  trans-130.7-176-179.7-166.60000111.8Y434 N441 L443Y434-T453 WeakPolarHBondContact CE2-O 3.5Å; Y434-T453 PolarHBondContact OH-O 2.91Å; N441-T453 HydrophobicContact CB-CG2 4.48Å; N441-T453 PolarHBondContact O-N 2.96Å; N441-T453 VanDerWaalsContact O-N 3.13Å; L443-T453 HydrophobicContact CD1-CG2 3.87Å; L443-T453 HydrophobicContact CD2-CG2 4.04Å; L443-T453 HydrophobicContact CG-CG2 3.73Å
454D91Very high92.3Very high40 Ų4031.7 Ų31.721%0.21419%0.192CC..  trans53.972.5174.4-158.717.3000115.1K341 G456K341-D454 IonicContact NZ-OD1 2.95Å; K341-D454 PolarHBondContact NZ-OD1 2.95Å; D454-G456 PolarHBondContact O-N 3.18Å
455Y93.5Very high91.9Very high1 Ų139.4 Ų39.40%0.00423%0.234CC..G310 helixtrans-79.87179.5-49.5-51.2000114.4V363 F364 A367 L373 V374 Y434 L452 M457 C458V363-Y455 HydrophobicContact CB-CD2 4.4Å; V363-Y455 HydrophobicContact CB-CG 4.21Å; V363-Y455 HydrophobicContact CG1-CD1 3.8Å; V363-Y455 HydrophobicContact CG1-CD2 3.87Å; V363-Y455 HydrophobicContact CG1-CE1 4.43Å; V363-Y455 HydrophobicContact CG1-CE2 4.47Å; V363-Y455 HydrophobicContact CG1-CG 3.5Å; F364-Y455 HydrophobicContact CB-CD2 4.36Å; F364-Y455 AromaticContact CD1-CD2 3.5Å; F364-Y455 HydrophobicContact CD1-CD2 3.5Å; F364-Y455 VanDerWaalsContact CD1-CD2 3.5Å; F364-Y455 AromaticContact CD1-CE2 3.33Å; F364-Y455 HydrophobicContact CD1-CE2 3.33Å; F364-Y455 AromaticContact CD2-CD2 3.92Å; F364-Y455 HydrophobicContact CD2-CD2 3.92Å; F364-Y455 AromaticContact CE1-CD2 3.54Å; F364-Y455 HydrophobicContact CE1-CD2 3.54Å; F364-Y455 AromaticContact CE1-CE2 3.39Å; F364-Y455 HydrophobicContact CE1-CE2 3.39Å; F364-Y455 AromaticContact CE2-CD2 3.98Å; F364-Y455 HydrophobicContact CE2-CD2 3.98Å; F364-Y455 AromaticContact CG-CD2 3.65Å; F364-Y455 HydrophobicContact CG-CD2 3.65Å; F364-Y455 AromaticContact CG-CE2 3.94Å; F364-Y455 HydrophobicContact CG-CE2 3.94Å; F364-Y455 AromaticContact CZ-CD2 3.78Å; F364-Y455 HydrophobicContact CZ-CD2 3.78Å; F364-Y455 HydrophobicContact CZ-CE2 4.09Å; A367-Y455 HydrophobicContact CB-CE2 3.86Å; L373-Y455 WeakPolarHBondContact CB-OH 3.47Å; L373-Y455 HydrophobicContact CD2-CE1 4.43Å; V374-Y455 PolarHBondContact N-OH 3.03Å; V374-Y455 WeakPolarHBondContact O-CE2 3.36Å; V374-Y455 PolarHBondContact O-OH 3.27Å; Y434-Y455 HydrophobicContact CD2-CD1 4.23Å; Y434-Y455 AromaticContact CE2-CD1 3.89Å; Y434-Y455 HydrophobicContact CE2-CD1 3.89Å; Y434-Y455 HydrophobicContact CE2-CE1 4.27Å; L452-Y455 PolarHBondContact O-OH 2.96Å; Y455-M457 PolarHBondContact O-N 2.92Å; Y455-C458 VanDerWaalsContact O-CB 3.31Å; Y455-C458 WeakPolarHBondContact O-CB 3.33Å; Y455-C458 PolarHBondContact O-N 2.81Å; Y455-C458 PolarHBondContact O-SG 3.45Å; Y455-C458 VanDerWaalsContact O-SG 3.42Å
456G87.4Confident91.6Very high17 Ų1743.6 Ų43.618%0.17525%0.254CS..G310 helixtrans-65.2-6.3-176.600000115.1E360 D454E360-G456 PolarHBondContact OE1-N 2.99Å; D454-G456 PolarHBondContact O-N 3.18Å
457M85.7Confident91.6Very high17 Ų1745 Ų458%0.08426%0.261CS..G310 helixtrans-110.61.5174-66.9-72.2176.500112.9A93 W356 R435 D436 Y455 C472A93-M457 HydrophobicContact CB-CE 4.42Å; W356-M457 HydrophobicContact CH2-SD 4.28Å; W356-M457 HydrophobicContact CZ3-SD 4.4Å; R435-M457 PolarHBondContact NE-O 3.2Å; R435-M457 PolarHBondContact NH2-O 3.17Å; D436-M457 HydrophobicContact CB-CB 3.83Å; D436-M457 HydrophobicContact CB-CG 3.93Å; Y455-M457 PolarHBondContact O-N 2.92Å; M457-C472 HydrophobicContact SD-CB 4.18Å
458C92Very high91.1Very high8 Ų840.7 Ų40.75%0.05424%0.241CC..  trans-62.4157.3-177.4-71.80000112.7T359 V363 I432 I433 R435 Y455T359-C458 HydrophobicContact CG2-CB 4.46Å; V363-C458 HydrophobicContact CG2-CB 3.85Å; I432-C458 HydrophobicContact CG2-CB 4.04Å; I433-C458 CarbonylContact O-C 3.57Å; I433-C458 WeakPolarHBondContact O-CA 3.05Å; R435-C458 PolarHBondContact NH2-O 2.88Å; Y455-C458 VanDerWaalsContact O-CB 3.31Å; Y455-C458 WeakPolarHBondContact O-CB 3.33Å; Y455-C458 PolarHBondContact O-N 2.81Å; Y455-C458 PolarHBondContact O-SG 3.45Å; Y455-C458 VanDerWaalsContact O-SG 3.42Å
459K88.2Confident90.6Very high81 Ų8145.8 Ų45.835%0.35227%0.273SS..BIsolated β-bridgetrans-129.6114.1168.117960.7-178.3166.10109.3I432 I433 I462 T468I432-K459 CarbonylContact C-O 3.6Å; I432-K459 WeakPolarHBondContact CA-O 3.23Å; I433-K459 HydrophobicContact CB-CB 4.46Å; I433-K459 PolarHBondContact N-O 2.87Å; I433-K459 PolarHBondContact O-N 3.32Å; K459-I462 HydrophobicContact CG-CD1 3.99Å; K459-I462 HydrophobicContact CG-CG1 4.11Å; K459-T468 HydrophobicContact CG-CG2 4.2Å
460E90.9Very high89.8Confident60 Ų6048.2 Ų48.228%0.2829%0.288SS..  trans-89.7172.817365.7-177.2-161.100112.9T359 H362 G431 I432T359-E460 HydrophobicContact CG2-CB 4.44Å; T359-E460 HydrophobicContact CG2-CG 3.98Å; H362-E460 IonicContact CE1-OE2 2.93Å; H362-E460 IonicContact CG-OE2 3.59Å; H362-E460 IonicContact ND1-OE2 3.5Å; H362-E460 PolarHBondContact ND1-OE2 3.17Å; G431-E460 CarbonylContact O-C 3.3Å; G431-E460 WeakPolarHBondContact O-CA 3.09Å; I432-E460 HydrophobicContact CG1-CB 4.18Å
461G88Confident89.1Confident44 Ų4451.3 Ų51.345%0.45430%0.301SS..  trans78.520175.500000114.2G431 I463G431-G461 PolarHBondContact O-N 3.41Å; G431-G461 VanDerWaalsContact O-N 3.13Å; G461-I463 PolarHBondContact O-N 3.4Å
462I89.5Confident88.2Confident7 Ų751.2 Ų51.24%0.03630%0.302CS..  trans-89.897.7179.5-56.6-64.8000108.7G431 I433 K459 S489 F490G431-I462 WeakPolarHBondContact CA-O 3.33Å; G431-I462 WeakPolarHBondContact O-CB 3.23Å; G431-I462 PolarHBondContact O-N 3.34Å; I433-I462 HydrophobicContact CD1-CD1 4.1Å; I433-I462 HydrophobicContact CD1-CG1 3.7Å; I433-I462 HydrophobicContact CD1-CG2 4.36Å; I433-I462 HydrophobicContact CG1-CB 4.45Å; I433-I462 HydrophobicContact CG1-CG1 3.92Å; K459-I462 HydrophobicContact CG-CD1 3.99Å; K459-I462 HydrophobicContact CG-CG1 4.11Å; I462-S489 VanDerWaalsContact CG2-OG 3.27Å; I462-S489 WeakPolarHBondContact CG2-OG 3.36Å; I462-F490 HydrophobicContact CB-CE1 4.05Å; I462-F490 HydrophobicContact CB-CZ 3.9Å; I462-F490 HydrophobicContact CG2-CE1 3.87Å; I462-F490 HydrophobicContact CG2-CE2 3.96Å; I462-F490 HydrophobicContact CG2-CZ 3.5Å; I462-F490 WeakPolarHBondContact O-CZ 3.37Å
463I88.3Confident87.4Confident119 Ų11952 Ų5261%0.6131%0.311SS*.  trans-122.7132.6-177.1-55.6172.9000109.4G461 D465 M466G461-I463 PolarHBondContact O-N 3.4Å; I463-D465 PolarHBondContact O-N 3.39Å; I463-M466 HydrophobicContact CB-CE 4.28Å; I463-M466 HydrophobicContact CB-SD 4.49Å; I463-M466 WeakPolarHBondContact O-CB 3.32Å; I463-M466 WeakPolarHBondContact O-CG 3.38Å; I463-M466 PolarHBondContact O-N 3.46Å; I463-M466 VanDerWaalsContact O-N 3.17Å
464G84.3Confident86.9Confident64 Ų6451.9 Ų51.966%0.6631%0.31SS*.THydrogen-bonded Turntrans57.6-126.8-178.900000112M466G464-M466 PolarHBondContact O-N 3.25Å
465D85Confident86.8Confident166 Ų16651.3 Ų51.389%0.88831%0.309SS*.THydrogen-bonded Turntrans-81.58.1-178.5-63-32.1000114.1I463I463-D465 PolarHBondContact O-N 3.39Å
466M88.6Confident86.6Confident104 Ų10454.1 Ų54.151%0.51232%0.323SS..  trans-62.9141.8176.9-69.9-173.7-153.200111.1I463 G464I463-M466 HydrophobicContact CB-CE 4.28Å; I463-M466 HydrophobicContact CB-SD 4.49Å; I463-M466 WeakPolarHBondContact O-CB 3.32Å; I463-M466 WeakPolarHBondContact O-CG 3.38Å; I463-M466 PolarHBondContact O-N 3.46Å; I463-M466 VanDerWaalsContact O-N 3.17Å; G464-M466 PolarHBondContact O-N 3.25Å
467T91.8Very high87.1Confident76 Ų7654 Ų5447%0.46632%0.318SS..  trans-138.8163.6-179.354.30000110.5S487 Y488T467-S487 WeakPolarHBondContact OG1-CB 3.4Å; T467-Y488 CarbonylContact C-O 3.38Å; T467-Y488 WeakPolarHBondContact CA-O 3.38Å; T467-Y488 WeakPolarHBondContact CB-O 3.19Å
468T85.2Confident87.5Confident12 Ų1253.4 Ų53.47%0.07432%0.315CS..BIsolated β-bridgetrans-124.2163.8174.6-175.60000110.8I433 K459 S487 Y488I433-T468 HydrophobicContact CD1-CG2 3.97Å; K459-T468 HydrophobicContact CG-CG2 4.2Å; T468-S487 CarbonylContact O-C 3.6Å; T468-S487 VanDerWaalsContact O-CA 3.32Å; T468-S487 WeakPolarHBondContact O-CA 3.45Å; T468-Y488 HydrophobicContact CG2-CD2 3.84Å; T468-Y488 HydrophobicContact CG2-CE1 4.16Å; T468-Y488 HydrophobicContact CG2-CE2 3.35Å; T468-Y488 HydrophobicContact CG2-CG 4.43Å; T468-Y488 PolarHBondContact N-O 2.78Å; T468-Y488 WeakPolarHBondContact O-CD1 3.24Å; T468-Y488 PolarHBondContact O-N 3.44Å
469T85.8Confident87.7Confident108 Ų10853.1 Ų53.166%0.66331%0.313SS*.  trans-128.25.2-176.760.70000113.6F471T469-F471 PolarHBondContact O-N 3.43Å
470T81.1Confident88.2Confident55 Ų5549.2 Ų49.234%0.33730%0.296SS..  trans-64.1127.7-176.8-51.10000110.6C472 Y488T470-C472 HydrophobicContact CG2-CB 4.37Å; T470-C472 PolarHBondContact O-N 2.84Å; T470-Y488 VanDerWaalsContact O-CE1 3.29Å; T470-Y488 WeakPolarHBondContact O-CE1 3.45Å; T470-Y488 PolarHBondContact O-OH 3.46Å
471F82.6Confident88.4Confident64 Ų6446.4 Ų46.428%0.28128%0.283SS..  trans-81.8105.4172.2-173.2-83.2000109.6T469 I478 I482 L483 F529T469-F471 PolarHBondContact O-N 3.43Å; F471-I478 HydrophobicContact CE1-CD1 4.27Å; F471-I478 HydrophobicContact CZ-CD1 4.11Å; F471-I482 HydrophobicContact CD2-CG2 3.71Å; F471-I482 HydrophobicContact CE2-CG2 4.09Å; F471-I482 HydrophobicContact CG-CG2 4.29Å; F471-L483 HydrophobicContact CE2-CD2 3.86Å; F471-L483 HydrophobicContact CZ-CD2 4Å; F471-F529 HydrophobicContact CZ-CE2 4.26Å; F471-F529 HydrophobicContact CZ-CZ 4.28Å
472C79.8Confident88.6Confident10 Ų1044.8 Ų44.87%0.06826%0.264CS..  trans-150.2178.3-179.360.90000111.3R435 M457 T470R435-C472 VanDerWaalsContact CZ-SG 3.59Å; R435-C472 PolarHBondContact NH1-SG 3.28Å; M457-C472 HydrophobicContact SD-CB 4.18Å; T470-C472 HydrophobicContact CG2-CB 4.37Å; T470-C472 PolarHBondContact O-N 2.84Å
473G81.2Confident88.7Confident18 Ų1844.5 Ų44.519%0.18626%0.262CS..SBendtrans103.6166.4-178.100000113.4R435R435-G473 WeakPolarHBondContact O-CA 3.35Å
474T84.6Confident88.8Confident18 Ų1843.1 Ų43.111%0.1125%0.252CS..  trans-78.4128.2178.5-65.50000111D436 K438 N476 Y477 I478D436-T474 PolarHBondContact OD1-N 2.91Å; D436-T474 PolarHBondContact OD1-OG1 2.79Å; K438-T474 HydrophobicContact CD-CG2 4.06Å; K438-T474 WeakPolarHBondContact CD-OG1 3.48Å; K438-T474 PolarHBondContact NZ-OG1 3.01Å; T474-N476 VanDerWaalsContact C-N 3.3Å; T474-N476 PolarHBondContact O-N 3.09Å; T474-Y477 HydrophobicContact CG2-CD2 3.95Å; T474-Y477 HydrophobicContact CG2-CE2 4.31Å; T474-Y477 PolarHBondContact O-N 2.8Å; T474-I478 WeakPolarHBondContact O-CG1 3.04Å; T474-I478 PolarHBondContact O-N 3.29Å
475P89.4Confident88.9Confident29 Ų2942.6 Ų42.619%0.18825%0.247CC..THydrogen-bonded Turntrans-46.4-40.7-166.6-3436.2000117.2Y477 L528 F529P475-Y477 VanDerWaalsContact C-N 3.28Å; P475-Y477 PolarHBondContact O-N 3.16Å; P475-L528 HydrophobicContact CB-CD2 3.85Å; P475-F529 HydrophobicContact CB-CE1 3.93Å; P475-F529 HydrophobicContact CB-CZ 4.32Å
476N90.1Very high89.2Confident59 Ų5938.6 Ų38.632%0.31622%0.223SC..THydrogen-bonded Turntrans-69.3-22.9-179.7-74.1-34.4000113.9T474 W511 L528T474-N476 VanDerWaalsContact C-N 3.3Å; T474-N476 PolarHBondContact O-N 3.09Å; N476-W511 PolarHBondContact O-NE1 3.3Å; N476-L528 VanDerWaalsContact OD1-CD2 3.27Å; N476-L528 WeakPolarHBondContact OD1-CD2 3.21Å
477Y96.3Very high89.2Confident14 Ų1436.9 Ų36.96%0.05522%0.221CC..THydrogen-bonded Turntrans-106.8-5.7-174.8-58.4-92.4000112.6L437 K438 L439 T474 P475 A479 V499 L500 E503L437-Y477 WeakPolarHBondContact O-CD1 3.43Å; K438-Y477 HydrophobicContact CB-CD2 3.74Å; K438-Y477 HydrophobicContact CB-CE1 4.27Å; K438-Y477 HydrophobicContact CB-CE2 3.34Å; K438-Y477 HydrophobicContact CB-CG 4.32Å; L439-Y477 PolarHBondContact N-OH 3.47Å; T474-Y477 HydrophobicContact CG2-CD2 3.95Å; T474-Y477 HydrophobicContact CG2-CE2 4.31Å; T474-Y477 PolarHBondContact O-N 2.8Å; P475-Y477 VanDerWaalsContact C-N 3.28Å; P475-Y477 PolarHBondContact O-N 3.16Å; Y477-A479 PolarHBondContact O-N 3.31Å; Y477-V499 HydrophobicContact CD1-CB 3.85Å; Y477-V499 HydrophobicContact CD1-CG1 3.63Å; Y477-V499 HydrophobicContact CE1-CB 4.28Å; Y477-V499 HydrophobicContact CE1-CG1 3.79Å; Y477-V499 HydrophobicContact CG-CG1 4.34Å; Y477-L500 HydrophobicContact CE1-CB 4.1Å; Y477-E503 WeakPolarHBondContact CE1-OE2 3.32Å; Y477-E503 PolarHBondContact OH-OE2 2.91Å
478I94.6Very high89.2Confident6 Ų633.6 Ų33.63%0.03120%0.2CC..  trans-62.4126.1-178.8-60.2-177.6000110.2F471 T474 I482 L483 W495 F529F471-I478 HydrophobicContact CE1-CD1 4.27Å; F471-I478 HydrophobicContact CZ-CD1 4.11Å; T474-I478 WeakPolarHBondContact O-CG1 3.04Å; T474-I478 PolarHBondContact O-N 3.29Å; I478-I482 HydrophobicContact CG2-CB 3.66Å; I478-I482 HydrophobicContact CG2-CD1 4.18Å; I478-I482 HydrophobicContact CG2-CG1 4.45Å; I478-I482 HydrophobicContact CG2-CG2 3.7Å; I478-L483 HydrophobicContact CB-CD2 4.24Å; I478-L483 HydrophobicContact CG2-CD2 3.6Å; I478-L483 HydrophobicContact CG2-CG 3.83Å; I478-W495 PolarHBondContact O-NE1 3.35Å; I478-F529 HydrophobicContact CD1-CE1 4.17Å; I478-F529 HydrophobicContact CD1-CZ 4.41Å
479A97.2Very high89.7Confident1 Ų134.2 Ų34.21%0.00821%0.205CC..  trans-69.9150.1-179.900000113Y477 E481 I482 L483 V492 W495Y477-A479 PolarHBondContact O-N 3.31Å; A479-E481 VanDerWaalsContact C-N 3.28Å; A479-E481 HydrophobicContact CB-CG 4.22Å; A479-E481 WeakPolarHBondContact CB-OE2 3.14Å; A479-E481 PolarHBondContact O-N 2.75Å; A479-I482 HydrophobicContact CB-CD1 4.49Å; A479-I482 HydrophobicContact CB-CG1 4.45Å; A479-I482 WeakPolarHBondContact O-CB 3.19Å; A479-I482 PolarHBondContact O-N 3Å; A479-I482 VanDerWaalsContact O-N 3.1Å; A479-L483 PolarHBondContact O-N 3.03Å; A479-V492 HydrophobicContact CB-CB 3.99Å; A479-V492 HydrophobicContact CB-CG1 3.9Å; A479-W495 VanDerWaalsContact CA-CD1 3.48Å; A479-W495 HydrophobicContact CB-CB 3.92Å; A479-W495 HydrophobicContact CB-CD2 4.39Å; A479-W495 HydrophobicContact CB-CG 3.74Å
480P97.2Very high90.1Very high0 Ų031.3 Ų31.30%018%0.183CC..Hα-helixtrans-55-38.4-178.6-30.238.1000114.3I482 L483 K484 W495 I532 L533 K557P480-I482 VanDerWaalsContact C-N 3.35Å; P480-I482 PolarHBondContact O-N 3.09Å; P480-L483 PolarHBondContact O-N 2.93Å; P480-K484 VanDerWaalsContact O-CG 3.29Å; P480-K484 WeakPolarHBondContact O-CG 3.17Å; P480-K484 PolarHBondContact O-N 3.45Å; P480-W495 HydrophobicContact CG-CD2 4.34Å; P480-W495 HydrophobicContact CG-CE3 4.06Å; P480-W495 HydrophobicContact CG-CH2 3.44Å; P480-W495 VanDerWaalsContact CG-CH2 3.44Å; P480-W495 HydrophobicContact CG-CZ2 3.78Å; P480-W495 HydrophobicContact CG-CZ3 3.6Å; P480-I532 HydrophobicContact CG-CG2 4.17Å; P480-L533 HydrophobicContact CB-CD2 3.8Å; P480-L533 WeakPolarHBondContact O-CD2 3.5Å; P480-K557 HydrophobicContact CB-CB 4.48Å; P480-K557 HydrophobicContact CG-CB 4.23Å; P480-K557 HydrophobicContact CG-CG 4.15Å
481E96.3Very high90.9Very high1 Ų129.3 Ų29.31%0.00517%0.172CC..Hα-helixtrans-61.2-39.5177.956.8-93-139.700112.7A479 K484 G485 E486 S491 V492 P559 R562A479-E481 VanDerWaalsContact C-N 3.28Å; A479-E481 HydrophobicContact CB-CG 4.22Å; A479-E481 WeakPolarHBondContact CB-OE2 3.14Å; A479-E481 PolarHBondContact O-N 2.75Å; E481-K484 PolarHBondContact O-N 2.87Å; E481-G485 PolarHBondContact O-N 3.29Å; E481-G485 VanDerWaalsContact O-N 3.17Å; E481-E486 HydrophobicContact CB-CB 4.26Å; E481-E486 PolarHBondContact O-N 3.39Å; E481-S491 PolarHBondContact OE1-OG 3.07Å; E481-V492 HydrophobicContact CG-CG1 3.99Å; E481-P559 HydrophobicContact CB-CG 3.92Å; E481-P559 HydrophobicContact CG-CG 4.03Å; E481-R562 IonicContact OE1-CZ 3.39Å; E481-R562 IonicContact OE1-NH1 2.73Å; E481-R562 PolarHBondContact OE1-NH1 3.36Å; E481-R562 IonicContact OE1-NH2 2.69Å; E481-R562 IonicContact OE2-CZ 3.11Å; E481-R562 IonicContact OE2-NH1 2.84Å; E481-R562 PolarHBondContact OE2-NH1 3.03Å; E481-R562 IonicContact OE2-NH2 3.8Å; E481-R562 PolarHBondContact OE2-NH2 3.12Å
482I91.4Very high91.6Very high10 Ų1026.5 Ų26.55%0.05116%0.16CC..Hα-helixtrans-64.7-44175.1-57.5-179.6000109.7F471 I478 A479 P480 K484 G485 Y488 V492F471-I482 HydrophobicContact CD2-CG2 3.71Å; F471-I482 HydrophobicContact CE2-CG2 4.09Å; F471-I482 HydrophobicContact CG-CG2 4.29Å; I478-I482 HydrophobicContact CG2-CB 3.66Å; I478-I482 HydrophobicContact CG2-CD1 4.18Å; I478-I482 HydrophobicContact CG2-CG1 4.45Å; I478-I482 HydrophobicContact CG2-CG2 3.7Å; A479-I482 HydrophobicContact CB-CD1 4.49Å; A479-I482 HydrophobicContact CB-CG1 4.45Å; A479-I482 WeakPolarHBondContact O-CB 3.19Å; A479-I482 PolarHBondContact O-N 3Å; A479-I482 VanDerWaalsContact O-N 3.1Å; P480-I482 VanDerWaalsContact C-N 3.35Å; P480-I482 PolarHBondContact O-N 3.09Å; I482-K484 VanDerWaalsContact C-N 3.35Å; I482-K484 PolarHBondContact O-N 3Å; I482-G485 PolarHBondContact O-N 2.9Å; I482-Y488 HydrophobicContact CD1-CE1 4.29Å; I482-Y488 HydrophobicContact CD1-CE2 4.36Å; I482-Y488 HydrophobicContact CG1-CD1 3.76Å; I482-Y488 HydrophobicContact CG1-CD2 4.48Å; I482-Y488 HydrophobicContact CG1-CE1 3.8Å; I482-Y488 HydrophobicContact CG1-CG 4.12Å; I482-V492 HydrophobicContact CD1-CB 4.08Å; I482-V492 HydrophobicContact CD1-CG1 3.81Å; I482-V492 HydrophobicContact CG1-CG1 3.87Å
483L91.6Very high92.5Very high0 Ų026.1 Ų26.10%016%0.157CC..Hα-helixtrans-62.2-42.3179.9-64-178.8000111.9R112 L129 F471 I478 A479 P480 G485 F529 I532 L533R112-L483 PolarHBondContact NH1-O 3.32Å; R112-L483 PolarHBondContact NH2-O 3.48Å; L129-L483 HydrophobicContact CD2-CB 4.42Å; L129-L483 WeakPolarHBondContact CD2-O 3.26Å; F471-L483 HydrophobicContact CE2-CD2 3.86Å; F471-L483 HydrophobicContact CZ-CD2 4Å; I478-L483 HydrophobicContact CB-CD2 4.24Å; I478-L483 HydrophobicContact CG2-CD2 3.6Å; I478-L483 HydrophobicContact CG2-CG 3.83Å; A479-L483 PolarHBondContact O-N 3.03Å; P480-L483 PolarHBondContact O-N 2.93Å; L483-G485 PolarHBondContact O-N 3.08Å; L483-F529 HydrophobicContact CD1-CB 3.98Å; L483-F529 HydrophobicContact CD1-CD1 4.15Å; L483-F529 HydrophobicContact CD1-CG 4.35Å; L483-F529 HydrophobicContact CD2-CB 3.99Å; L483-F529 HydrophobicContact CD2-CD1 3.49Å; L483-F529 VanDerWaalsContact CD2-CD1 3.49Å; L483-F529 HydrophobicContact CD2-CD2 4.2Å; L483-F529 HydrophobicContact CD2-CE1 3.96Å; L483-F529 HydrophobicContact CD2-CG 3.62Å; L483-F529 HydrophobicContact CG-CD1 4.49Å; L483-I532 HydrophobicContact CD1-CB 3.75Å; L483-I532 HydrophobicContact CD1-CD1 4.16Å; L483-I532 HydrophobicContact CD1-CG2 3.54Å; L483-L533 HydrophobicContact CB-CD1 4.24Å; L483-L533 HydrophobicContact CB-CD2 3.91Å; L483-L533 HydrophobicContact CB-CG 4.15Å; L483-L533 HydrophobicContact CD1-CD2 4.26Å; L483-L533 HydrophobicContact CD1-CG 4.13Å
484K91Very high93.3Very high90 Ų9025.7 Ų25.739%0.39115%0.15SC..Hα-helixtrans-66.9-15.3175-67.4171.5-163.3167.20113.3P480 E481 I482 E486 L533P480-K484 VanDerWaalsContact O-CG 3.29Å; P480-K484 WeakPolarHBondContact O-CG 3.17Å; P480-K484 PolarHBondContact O-N 3.45Å; E481-K484 PolarHBondContact O-N 2.87Å; I482-K484 VanDerWaalsContact C-N 3.35Å; I482-K484 PolarHBondContact O-N 3Å; K484-E486 VanDerWaalsContact C-N 3.35Å; K484-E486 HydrophobicContact CB-CG 3.92Å; K484-E486 VanDerWaalsContact CD-OE1 3.22Å; K484-E486 WeakPolarHBondContact CD-OE1 3.46Å; K484-L533 HydrophobicContact CD-CD2 4.48Å; K484-L533 HydrophobicContact CG-CD1 4.46Å; K484-L533 HydrophobicContact CG-CD2 3.87Å
485G86.2Confident94Very high54 Ų5424.8 Ų24.856%0.55715%0.145SC*.THydrogen-bonded Turntrans73.329.3-175.600000112.6E481 I482 L483E481-G485 PolarHBondContact O-N 3.29Å; E481-G485 VanDerWaalsContact O-N 3.17Å; I482-G485 PolarHBondContact O-N 2.9Å; L483-G485 PolarHBondContact O-N 3.08Å
486E91.1Very high94.4Very high81 Ų8123.7 Ų23.738%0.37914%0.138SC..  trans-79.5155.3172.4-66.6165.8176.400109.3E481 K484E481-E486 HydrophobicContact CB-CB 4.26Å; E481-E486 PolarHBondContact O-N 3.39Å; K484-E486 VanDerWaalsContact C-N 3.35Å; K484-E486 HydrophobicContact CB-CG 3.92Å; K484-E486 VanDerWaalsContact CD-OE1 3.22Å; K484-E486 WeakPolarHBondContact CD-OE1 3.46Å
487S89.2Confident94.8Very high69 Ų6920.9 Ų20.948%0.48312%0.123SC..  trans-69.9143.1167.253.60000109.6T467 T468T467-S487 WeakPolarHBondContact OG1-CB 3.4Å; T468-S487 CarbonylContact O-C 3.6Å; T468-S487 VanDerWaalsContact O-CA 3.32Å; T468-S487 WeakPolarHBondContact O-CA 3.45Å
488Y92.4Very high94.9Very high6 Ų620.2 Ų20.22%0.02412%0.12CC..BIsolated β-bridgetrans-139.9163.7-174.364.7-94000111.9R435 T467 T468 T470 I482 V492R435-Y488 WeakPolarHBondContact CD-OH 3.35Å; R435-Y488 HydrophobicContact CG-CE2 4.49Å; R435-Y488 PolarHBondContact NH1-OH 3.18Å; T467-Y488 CarbonylContact C-O 3.38Å; T467-Y488 WeakPolarHBondContact CA-O 3.38Å; T467-Y488 WeakPolarHBondContact CB-O 3.19Å; T468-Y488 HydrophobicContact CG2-CD2 3.84Å; T468-Y488 HydrophobicContact CG2-CE1 4.16Å; T468-Y488 HydrophobicContact CG2-CE2 3.35Å; T468-Y488 HydrophobicContact CG2-CG 4.43Å; T468-Y488 PolarHBondContact N-O 2.78Å; T468-Y488 WeakPolarHBondContact O-CD1 3.24Å; T468-Y488 PolarHBondContact O-N 3.44Å; T470-Y488 VanDerWaalsContact O-CE1 3.29Å; T470-Y488 WeakPolarHBondContact O-CE1 3.45Å; T470-Y488 PolarHBondContact O-OH 3.46Å; I482-Y488 HydrophobicContact CD1-CE1 4.29Å; I482-Y488 HydrophobicContact CD1-CE2 4.36Å; I482-Y488 HydrophobicContact CG1-CD1 3.76Å; I482-Y488 HydrophobicContact CG1-CD2 4.48Å; I482-Y488 HydrophobicContact CG1-CE1 3.8Å; I482-Y488 HydrophobicContact CG1-CG 4.12Å; Y488-V492 HydrophobicContact CD2-CB 4.37Å; Y488-V492 HydrophobicContact CD2-CG1 3.44Å; Y488-V492 VanDerWaalsContact CD2-CG1 3.44Å; Y488-V492 HydrophobicContact CD2-CG2 3.99Å; Y488-V492 HydrophobicContact CE2-CG1 4.19Å; Y488-V492 HydrophobicContact CE2-CG2 4.16Å; Y488-V492 HydrophobicContact CG-CG1 3.75Å
489S94.1Very high95.1Very high25 Ų2520 Ų2018%0.17512%0.119CC..  trans-132.4-143.6176.9-174.70000109I462 S491I462-S489 VanDerWaalsContact CG2-OG 3.27Å; I462-S489 WeakPolarHBondContact CG2-OG 3.36Å; S489-S491 PolarHBondContact O-N 3.06Å; S489-S491 VanDerWaalsContact O-N 3.07Å
490F95.8Very high95.1Very high47 Ų4719.9 Ų19.921%0.20612%0.118CC..THydrogen-bonded Turntrans-57.5-20.3-178.5-51.8-57.8000115.2H428 I433 I462 V492 D493H428-F490 HydrophobicContact CB-CD1 3.88Å; H428-F490 HydrophobicContact CB-CE1 4.13Å; H428-F490 HydrophobicContact CB-CG 4.15Å; H428-F490 AromaticContact CD2-CD1 3.45Å; H428-F490 VanDerWaalsContact CD2-CD1 3.45Å; H428-F490 WeakPolarHBondContact CD2-CD1 3.43Å; H428-F490 AromaticContact CG-CD1 3.57Å; H428-F490 AromaticContact CG-CG 3.84Å; H428-F490 AromaticContact NE2-CD1 3.99Å; H428-F490 WeakPolarHBondContact O-CZ 3.45Å; I433-F490 HydrophobicContact CG1-CD1 3.68Å; I433-F490 HydrophobicContact CG1-CE1 3.91Å; I462-F490 HydrophobicContact CB-CE1 4.05Å; I462-F490 HydrophobicContact CB-CZ 3.9Å; I462-F490 HydrophobicContact CG2-CE1 3.87Å; I462-F490 HydrophobicContact CG2-CE2 3.96Å; I462-F490 HydrophobicContact CG2-CZ 3.5Å; I462-F490 WeakPolarHBondContact O-CZ 3.37Å; F490-V492 PolarHBondContact O-N 3.4Å; F490-D493 PolarHBondContact O-N 3.48Å; F490-D493 VanDerWaalsContact O-N 3.08Å
491S96.8Very high95.2Very high14 Ų1419.9 Ų19.910%0.09812%0.118CC..Hα-helixtrans-54.1-29-17764.30000114.3E481 S489 D493 W494 W495 R562 C565E481-S491 PolarHBondContact OE1-OG 3.07Å; S489-S491 PolarHBondContact O-N 3.06Å; S489-S491 VanDerWaalsContact O-N 3.07Å; S491-D493 VanDerWaalsContact C-N 3.33Å; S491-D493 PolarHBondContact O-N 3.4Å; S491-W494 PolarHBondContact O-N 2.87Å; S491-W495 PolarHBondContact O-N 3.13Å; S491-W495 VanDerWaalsContact O-N 3.16Å; S491-R562 VanDerWaalsContact C-NH1 3.35Å; S491-R562 PolarHBondContact O-NH1 3.26Å; S491-C565 VanDerWaalsContact CA-SG 3.58Å
492V97.6Very high95.2Very high5 Ų520.1 Ų20.13%0.0312%0.119CC..Hα-helixtrans-69.6-30.8-176.9-55.70000112.4I433 R435 A479 E481 I482 Y488 F490 W495 A496I433-V492 HydrophobicContact CG2-CG2 3.64Å; R435-V492 HydrophobicContact CG-CG2 4.31Å; A479-V492 HydrophobicContact CB-CB 3.99Å; A479-V492 HydrophobicContact CB-CG1 3.9Å; E481-V492 HydrophobicContact CG-CG1 3.99Å; I482-V492 HydrophobicContact CD1-CB 4.08Å; I482-V492 HydrophobicContact CD1-CG1 3.81Å; I482-V492 HydrophobicContact CG1-CG1 3.87Å; Y488-V492 HydrophobicContact CD2-CB 4.37Å; Y488-V492 HydrophobicContact CD2-CG1 3.44Å; Y488-V492 VanDerWaalsContact CD2-CG1 3.44Å; Y488-V492 HydrophobicContact CD2-CG2 3.99Å; Y488-V492 HydrophobicContact CE2-CG1 4.19Å; Y488-V492 HydrophobicContact CE2-CG2 4.16Å; Y488-V492 HydrophobicContact CG-CG1 3.75Å; F490-V492 PolarHBondContact O-N 3.4Å; V492-W495 PolarHBondContact O-N 2.86Å; V492-A496 PolarHBondContact O-N 3.35Å
493D98.3Very high95.4Very high1 Ų120.4 Ų20.41%0.00512%0.12CC..Hα-helixtrans-73.3-39.5178-66.7-23.8000110.7L424 H428 I433 Y434 R435 F490 S491 W495 A496 L497L424-D493 HydrophobicContact CD1-CB 4.11Å; L424-D493 HydrophobicContact CD2-CB 4.05Å; H428-D493 IonicContact CD2-OD2 3.29Å; H428-D493 IonicContact CE1-OD2 2.66Å; H428-D493 IonicContact NE2-OD2 3.91Å; H428-D493 PolarHBondContact NE2-OD2 3.19Å; I433-D493 WeakPolarHBondContact CG2-OD2 3.23Å; Y434-D493 PolarHBondContact N-OD2 3.2Å; R435-D493 WeakPolarHBondContact CA-OD1 3.48Å; R435-D493 PolarHBondContact N-OD1 3.08Å; F490-D493 PolarHBondContact O-N 3.48Å; F490-D493 VanDerWaalsContact O-N 3.08Å; S491-D493 VanDerWaalsContact C-N 3.33Å; S491-D493 PolarHBondContact O-N 3.4Å; D493-W495 VanDerWaalsContact C-N 3.32Å; D493-W495 PolarHBondContact O-N 3.36Å; D493-A496 PolarHBondContact O-N 3.44Å; D493-L497 PolarHBondContact O-N 2.85Å
494W98.3Very high95.7Very high9 Ų920.4 Ų20.43%0.03412%0.12CC..Hα-helixtrans-64.8-35.2174.6-62.2125.1000112.7C421 L424 H428 S491 L497 G498 F554 C565 F571 I574C421-W494 HydrophobicContact CB-CZ3 4.38Å; L424-W494 HydrophobicContact CB-CH2 4.04Å; L424-W494 HydrophobicContact CB-CZ3 4.35Å; L424-W494 HydrophobicContact CD1-CE3 4.23Å; L424-W494 HydrophobicContact CD1-CH2 4.45Å; L424-W494 HydrophobicContact CD1-CZ3 3.97Å; H428-W494 AromaticContact CE1-CE2 3.76Å; H428-W494 AromaticContact CE1-CZ2 3.87Å; H428-W494 AromaticContact CE1-NE1 3.67Å; H428-W494 AromaticContact ND1-CE2 3.81Å; H428-W494 AromaticContact ND1-CZ2 3.66Å; H428-W494 AromaticContact ND1-NE1 3.67Å; S491-W494 PolarHBondContact O-N 2.87Å; W494-L497 HydrophobicContact CE3-CD2 3.88Å; W494-L497 HydrophobicContact CZ3-CD2 3.89Å; W494-G498 PolarHBondContact O-N 3.04Å; W494-G498 VanDerWaalsContact O-N 3.08Å; W494-F554 HydrophobicContact CB-CD1 4.01Å; W494-F554 HydrophobicContact CB-CE1 4.2Å; W494-F554 HydrophobicContact CD2-CE1 4.26Å; W494-F554 AromaticContact CE3-CE1 3.76Å; W494-F554 HydrophobicContact CE3-CE1 3.76Å; W494-F554 HydrophobicContact CE3-CZ 4.23Å; W494-F554 HydrophobicContact CG-CE1 4.48Å; W494-C565 VanDerWaalsContact CD1-SG 3.57Å; W494-F571 AromaticContact CH2-CD2 3.93Å; W494-F571 HydrophobicContact CH2-CD2 3.93Å; W494-F571 AromaticContact CH2-CE2 3.88Å; W494-F571 HydrophobicContact CH2-CE2 3.88Å; W494-F571 HydrophobicContact CZ2-CD2 4.2Å; W494-I574 HydrophobicContact CD2-CD1 3.76Å; W494-I574 HydrophobicContact CE3-CD1 3.7Å; W494-I574 HydrophobicContact CH2-CD1 3.56Å; W494-I574 HydrophobicContact CZ2-CD1 3.58Å; W494-I574 HydrophobicContact CZ3-CD1 3.61Å
495W98.4Very high95.9Very high0 Ų016.5 Ų16.50%010%0.104CC..Hα-helixtrans-63.1-49.3170.1170.6-85.6000111.5I478 A479 P480 S491 V492 D493 L497 G498 V499 W511 I532 L555 K557I478-W495 PolarHBondContact O-NE1 3.35Å; A479-W495 VanDerWaalsContact CA-CD1 3.48Å; A479-W495 HydrophobicContact CB-CB 3.92Å; A479-W495 HydrophobicContact CB-CD2 4.39Å; A479-W495 HydrophobicContact CB-CG 3.74Å; P480-W495 HydrophobicContact CG-CD2 4.34Å; P480-W495 HydrophobicContact CG-CE3 4.06Å; P480-W495 HydrophobicContact CG-CH2 3.44Å; P480-W495 VanDerWaalsContact CG-CH2 3.44Å; P480-W495 HydrophobicContact CG-CZ2 3.78Å; P480-W495 HydrophobicContact CG-CZ3 3.6Å; S491-W495 PolarHBondContact O-N 3.13Å; S491-W495 VanDerWaalsContact O-N 3.16Å; V492-W495 PolarHBondContact O-N 2.86Å; D493-W495 VanDerWaalsContact C-N 3.32Å; D493-W495 PolarHBondContact O-N 3.36Å; W495-L497 VanDerWaalsContact C-N 3.25Å; W495-L497 PolarHBondContact O-N 3.46Å; W495-G498 WeakPolarHBondContact O-CA 3.43Å; W495-G498 PolarHBondContact O-N 3.42Å; W495-V499 PolarHBondContact O-N 3.38Å; W495-W511 AromaticContact CH2-CH2 3.89Å; W495-W511 HydrophobicContact CH2-CH2 3.89Å; W495-W511 HydrophobicContact CH2-CZ2 4.48Å; W495-W511 AromaticContact CZ2-CH2 3.49Å; W495-W511 HydrophobicContact CZ2-CH2 3.49Å; W495-W511 VanDerWaalsContact CZ2-CH2 3.49Å; W495-W511 AromaticContact CZ2-CZ2 3.65Å; W495-W511 HydrophobicContact CZ2-CZ2 3.65Å; W495-I532 HydrophobicContact CZ2-CG2 3.89Å; W495-L555 HydrophobicContact CD2-CD2 4.27Å; W495-L555 HydrophobicContact CE3-CD2 4.26Å; W495-L555 HydrophobicContact CH2-CD2 4.47Å; W495-L555 HydrophobicContact CZ2-CD2 4.47Å; W495-L555 HydrophobicContact CZ3-CB 4.37Å; W495-L555 HydrophobicContact CZ3-CD2 4.37Å; W495-L555 WeakPolarHBondContact CZ3-O 3.39Å; W495-K557 HydrophobicContact CH2-CG 4.27Å; W495-K557 HydrophobicContact CZ3-CG 4.21Å
496A98.5Very high96.3Very high6 Ų614.3 Ų14.35%0.058%0.08CC..Hα-helixtrans-60.5-37.818000000111.4L437 V492 D493 V499 L500L437-A496 HydrophobicContact CB-CB 3.9Å; L437-A496 HydrophobicContact CD2-CB 4.32Å; L437-A496 HydrophobicContact CG-CB 4.49Å; V492-A496 PolarHBondContact O-N 3.35Å; D493-A496 PolarHBondContact O-N 3.44Å; A496-V499 PolarHBondContact O-N 3.16Å; A496-L500 WeakPolarHBondContact O-CB 3.35Å; A496-L500 PolarHBondContact O-N 3.16Å
497L98.6Very high96.2Very high0 Ų012 Ų120%08%0.079CC..Hα-helixtrans-61.5-43.4172.2178.260.3000111.5A417 I420 C421 L437 D493 W494 W495 V499 L500 M501 F554A417-L497 HydrophobicContact CB-CD1 4.38Å; I420-L497 HydrophobicContact CB-CD1 4.2Å; I420-L497 HydrophobicContact CD1-CD1 4.34Å; I420-L497 HydrophobicContact CG2-CD1 3.85Å; C421-L497 WeakPolarHBondContact SG-CD2 3.29Å; L437-L497 HydrophobicContact CD2-CB 3.88Å; L437-L497 HydrophobicContact CD2-CD1 4.39Å; D493-L497 PolarHBondContact O-N 2.85Å; W494-L497 HydrophobicContact CE3-CD2 3.88Å; W494-L497 HydrophobicContact CZ3-CD2 3.89Å; W495-L497 VanDerWaalsContact C-N 3.25Å; W495-L497 PolarHBondContact O-N 3.46Å; L497-V499 VanDerWaalsContact C-N 3.3Å; L497-V499 PolarHBondContact O-N 2.87Å; L497-L500 PolarHBondContact O-N 2.97Å; L497-M501 HydrophobicContact CD1-CG 3.99Å; L497-M501 HydrophobicContact CD1-SD 4.31Å; L497-M501 HydrophobicContact CG-CG 4.26Å; L497-M501 HydrophobicContact CG-SD 4.08Å; L497-M501 WeakPolarHBondContact O-CB 3.21Å; L497-M501 VanDerWaalsContact O-CG 3.26Å; L497-M501 WeakPolarHBondContact O-CG 3.47Å; L497-M501 PolarHBondContact O-N 3.35Å; L497-F554 HydrophobicContact CD2-CE1 4.43Å; L497-F554 HydrophobicContact CD2-CE2 3.97Å; L497-F554 HydrophobicContact CD2-CZ 3.83Å; L497-F554 HydrophobicContact CG-CE2 4.36Å
498G98.5Very high96.2Very high0 Ų013.4 Ų13.40%07%0.073CC..Hα-helixtrans-57.9-40.717400000113.1W494 W495 F502 L551W494-G498 PolarHBondContact O-N 3.04Å; W494-G498 VanDerWaalsContact O-N 3.08Å; W495-G498 WeakPolarHBondContact O-CA 3.43Å; W495-G498 PolarHBondContact O-N 3.42Å; G498-F502 WeakPolarHBondContact O-CB 3.39Å; G498-F502 PolarHBondContact O-N 3.03Å; G498-L551 WeakPolarHBondContact O-CD2 3.43Å
499V98.2Very high96.1Very high0 Ų014.2 Ų14.20%08%0.08CC..Hα-helixtrans-67.3-46.3176.3176.50000110.6Y477 W495 A496 L497 M501 F502 E503 P510 W511 L555Y477-V499 HydrophobicContact CD1-CB 3.85Å; Y477-V499 HydrophobicContact CD1-CG1 3.63Å; Y477-V499 HydrophobicContact CE1-CB 4.28Å; Y477-V499 HydrophobicContact CE1-CG1 3.79Å; Y477-V499 HydrophobicContact CG-CG1 4.34Å; W495-V499 PolarHBondContact O-N 3.38Å; A496-V499 PolarHBondContact O-N 3.16Å; L497-V499 VanDerWaalsContact C-N 3.3Å; L497-V499 PolarHBondContact O-N 2.87Å; V499-M501 PolarHBondContact O-N 2.96Å; V499-F502 WeakPolarHBondContact O-CB 3.27Å; V499-F502 PolarHBondContact O-N 2.9Å; V499-E503 PolarHBondContact O-N 3.1Å; V499-P510 HydrophobicContact CG1-CG 4.03Å; V499-P510 HydrophobicContact CG2-CG 4.47Å; V499-W511 HydrophobicContact CG2-CZ2 3.91Å; V499-L555 HydrophobicContact CG2-CD2 3.71Å
500L98.2Very high96.1Very high0 Ų013.8 Ų13.80%08%0.077CC..Hα-helixtrans-61.7-44.3178.5-168.5158000111.4I420 L437 L439 V442 Y477 A496 L497 F502 E503 M504I420-L500 HydrophobicContact CD1-CD1 4.43Å; I420-L500 HydrophobicContact CD1-CD2 4.09Å; L437-L500 HydrophobicContact CD1-CD1 3.91Å; L437-L500 HydrophobicContact CD2-CD1 4.36Å; L437-L500 HydrophobicContact CG-CD1 3.83Å; L439-L500 HydrophobicContact CD2-CD1 4.49Å; L439-L500 HydrophobicContact CD2-CD2 4.05Å; L439-L500 HydrophobicContact CD2-CG 3.89Å; L439-L500 HydrophobicContact CG-CG 4.35Å; V442-L500 HydrophobicContact CG2-CD1 3.91Å; Y477-L500 HydrophobicContact CE1-CB 4.1Å; A496-L500 WeakPolarHBondContact O-CB 3.35Å; A496-L500 PolarHBondContact O-N 3.16Å; L497-L500 PolarHBondContact O-N 2.97Å; L500-F502 VanDerWaalsContact C-N 3.33Å; L500-F502 PolarHBondContact O-N 2.94Å; L500-E503 PolarHBondContact O-N 3.4Å; L500-M504 HydrophobicContact CD2-CE 3.64Å; L500-M504 HydrophobicContact CD2-CG 4.09Å; L500-M504 HydrophobicContact CD2-SD 3.91Å; L500-M504 WeakPolarHBondContact O-CG 3.43Å; L500-M504 PolarHBondContact O-N 2.88Å
501M98.3Very high95.8Very high0 Ų011.9 Ų11.90%07%0.068CC..Hα-helixtrans-61.1-40.7174-73.1-179.971.500112.1A417 L497 V499 E503 M504 L505 I550 L551 F554 F579 F580A417-M501 HydrophobicContact CB-CE 4.03Å; A417-M501 HydrophobicContact CB-CG 3.83Å; A417-M501 HydrophobicContact CB-SD 3.84Å; L497-M501 HydrophobicContact CD1-CG 3.99Å; L497-M501 HydrophobicContact CD1-SD 4.31Å; L497-M501 HydrophobicContact CG-CG 4.26Å; L497-M501 HydrophobicContact CG-SD 4.08Å; L497-M501 WeakPolarHBondContact O-CB 3.21Å; L497-M501 VanDerWaalsContact O-CG 3.26Å; L497-M501 WeakPolarHBondContact O-CG 3.47Å; L497-M501 PolarHBondContact O-N 3.35Å; V499-M501 PolarHBondContact O-N 2.96Å; M501-E503 VanDerWaalsContact C-N 3.32Å; M501-M504 HydrophobicContact CB-CE 4.5Å; M501-M504 HydrophobicContact CG-CE 4.11Å; M501-M504 PolarHBondContact O-N 3.31Å; M501-L505 WeakPolarHBondContact O-CB 3.33Å; M501-L505 WeakPolarHBondContact O-CD1 3.25Å; M501-L505 VanDerWaalsContact O-CG 3.27Å; M501-L505 WeakPolarHBondContact O-CG 3.47Å; M501-L505 PolarHBondContact O-N 3.28Å; M501-I550 HydrophobicContact CE-CG1 4.02Å; M501-I550 HydrophobicContact CE-CG2 3.7Å; M501-L551 HydrophobicContact CB-CD2 3.61Å; M501-F554 HydrophobicContact SD-CD2 3.83Å; M501-F554 HydrophobicContact SD-CE2 3.74Å; M501-F579 HydrophobicContact CE-CD1 3.97Å; M501-F579 HydrophobicContact CE-CE1 3.5Å; M501-F579 VanDerWaalsContact CE-CE1 3.5Å; M501-F579 HydrophobicContact CE-CZ 4.11Å; M501-F580 HydrophobicContact CE-CZ 4.38Å
502F97.7Very high94.5Very high5 Ų516.4 Ų16.42%0.0229%0.088CC..Hα-helixtrans-60.6-45.8175.2-175.9-75.9000110.2G498 V499 L500 M504 L505 A506 R508 P510 I537 F539 L551G498-F502 WeakPolarHBondContact O-CB 3.39Å; G498-F502 PolarHBondContact O-N 3.03Å; V499-F502 WeakPolarHBondContact O-CB 3.27Å; V499-F502 PolarHBondContact O-N 2.9Å; L500-F502 VanDerWaalsContact C-N 3.33Å; L500-F502 PolarHBondContact O-N 2.94Å; F502-M504 PolarHBondContact O-N 3.42Å; F502-L505 PolarHBondContact O-N 3.07Å; F502-A506 HydrophobicContact CD1-CB 3.79Å; F502-A506 HydrophobicContact CE1-CB 3.46Å; F502-A506 VanDerWaalsContact CE1-CB 3.46Å; F502-A506 HydrophobicContact CZ-CB 3.97Å; F502-A506 WeakPolarHBondContact O-CB 3.45Å; F502-A506 PolarHBondContact O-N 2.86Å; F502-R508 VanDerWaalsContact CD1-O 3.22Å; F502-R508 WeakPolarHBondContact CD1-O 3.49Å; F502-R508 HydrophobicContact CE1-CG 4.45Å; F502-R508 VanDerWaalsContact CE1-O 3.32Å; F502-R508 WeakPolarHBondContact CE1-O 3.32Å; F502-P510 HydrophobicContact CB-CG 4.48Å; F502-P510 HydrophobicContact CD1-CB 3.77Å; F502-P510 HydrophobicContact CD1-CG 4.12Å; F502-P510 HydrophobicContact CD2-CB 4.06Å; F502-P510 VanDerWaalsContact CE1-CA 3.4Å; F502-P510 HydrophobicContact CE1-CB 3.86Å; F502-P510 HydrophobicContact CE2-CB 4.12Å; F502-P510 HydrophobicContact CG-CB 3.89Å; F502-P510 HydrophobicContact CG-CG 4.23Å; F502-P510 HydrophobicContact CZ-CB 4.04Å; F502-I537 HydrophobicContact CD2-CG2 4.31Å; F502-I537 HydrophobicContact CE2-CG2 3.98Å; F502-F539 AromaticContact CD2-CD1 3.93Å; F502-F539 HydrophobicContact CD2-CD1 3.93Å; F502-F539 AromaticContact CD2-CE1 3.97Å; F502-F539 HydrophobicContact CD2-CE1 3.97Å; F502-F539 AromaticContact CE2-CD1 3.8Å; F502-F539 HydrophobicContact CE2-CD1 3.8Å; F502-F539 HydrophobicContact CE2-CE1 4.15Å; F502-L551 HydrophobicContact CB-CD2 4.05Å; F502-L551 HydrophobicContact CD2-CD1 4.25Å
503E95.5Very high92.9Very high16 Ų1618 Ų188%0.07511%0.106CC..Hα-helixtrans-60.6-46.2178.5-74.3-178.5151.800111.9M402 L439 Y477 V499 L500 M501 L505 G507 R508M402-E503 WeakPolarHBondContact CE-O 3.3Å; L439-E503 HydrophobicContact CD1-CB 4.19Å; L439-E503 WeakPolarHBondContact CD1-OE2 3.41Å; Y477-E503 WeakPolarHBondContact CE1-OE2 3.32Å; Y477-E503 PolarHBondContact OH-OE2 2.91Å; V499-E503 PolarHBondContact O-N 3.1Å; L500-E503 PolarHBondContact O-N 3.4Å; M501-E503 VanDerWaalsContact C-N 3.32Å; E503-L505 VanDerWaalsContact C-N 3.34Å; E503-L505 PolarHBondContact O-N 2.79Å; E503-G507 WeakPolarHBondContact O-CA 3.44Å; E503-G507 PolarHBondContact O-N 3.29Å; E503-R508 WeakPolarHBondContact CA-O 3.22Å
504M96.5Very high91.1Very high0 Ų019.3 Ų19.30%011%0.114CC..Hα-helixtrans-56-47.7174.9-70.6-167.6-64.800111.9L398 M402 L408 A413 Y416 A417 L439 L500 M501 F502L398-M504 HydrophobicContact CD1-SD 4.29Å; M402-M504 HydrophobicContact SD-CB 4.48Å; M402-M504 HydrophobicContact SD-CG 4.33Å; L408-M504 HydrophobicContact CB-CB 4.49Å; L408-M504 HydrophobicContact CD1-CB 4.06Å; L408-M504 HydrophobicContact CD1-CG 3.93Å; L408-M504 HydrophobicContact CD1-SD 3.84Å; L408-M504 HydrophobicContact CG-CB 4.3Å; L408-M504 PolarHBondContact N-O 3.47Å; A413-M504 HydrophobicContact CB-CB 4.02Å; A413-M504 HydrophobicContact CB-CE 4.06Å; A413-M504 HydrophobicContact CB-SD 4.43Å; Y416-M504 HydrophobicContact CD2-SD 4.28Å; A417-M504 HydrophobicContact CB-CE 4.37Å; L439-M504 HydrophobicContact CD2-CG 4.33Å; L500-M504 HydrophobicContact CD2-CE 3.64Å; L500-M504 HydrophobicContact CD2-CG 4.09Å; L500-M504 HydrophobicContact CD2-SD 3.91Å; L500-M504 WeakPolarHBondContact O-CG 3.43Å; L500-M504 PolarHBondContact O-N 2.88Å; M501-M504 HydrophobicContact CB-CE 4.5Å; M501-M504 HydrophobicContact CG-CE 4.11Å; M501-M504 PolarHBondContact O-N 3.31Å; F502-M504 PolarHBondContact O-N 3.42Å
505L96.6Very high89Confident8 Ų820.9 Ų20.94%0.04213%0.133CC..Hα-helixtrans-78.5-36.3-173.7-68.7168.5000113.7E410 A413 M501 F502 E503 I543 A547 L551E410-L505 HydrophobicContact CB-CD2 4.29Å; E410-L505 HydrophobicContact CG-CD2 3.86Å; A413-L505 HydrophobicContact CB-CD2 3.62Å; A413-L505 HydrophobicContact CB-CG 3.94Å; M501-L505 WeakPolarHBondContact O-CB 3.33Å; M501-L505 WeakPolarHBondContact O-CD1 3.25Å; M501-L505 VanDerWaalsContact O-CG 3.27Å; M501-L505 WeakPolarHBondContact O-CG 3.47Å; M501-L505 PolarHBondContact O-N 3.28Å; F502-L505 PolarHBondContact O-N 3.07Å; E503-L505 VanDerWaalsContact C-N 3.34Å; E503-L505 PolarHBondContact O-N 2.79Å; L505-I543 HydrophobicContact CB-CD1 3.87Å; L505-I543 HydrophobicContact CB-CG1 4.29Å; L505-I543 HydrophobicContact CD1-CG2 4.44Å; L505-A547 HydrophobicContact CD1-CB 4.08Å; L505-L551 HydrophobicContact CD1-CD1 3.91Å; L505-L551 HydrophobicContact CD1-CD2 4.41Å; L505-L551 HydrophobicContact CD1-CG 4.3Å
506A92.9Very high87.1Confident8 Ų829.2 Ų29.27%0.06617%0.171CC..Hα-helixtrans-96.3-17.9-174.600000113.5F502 R508 P540 I543F502-A506 HydrophobicContact CD1-CB 3.79Å; F502-A506 HydrophobicContact CE1-CB 3.46Å; F502-A506 VanDerWaalsContact CE1-CB 3.46Å; F502-A506 HydrophobicContact CZ-CB 3.97Å; F502-A506 WeakPolarHBondContact O-CB 3.45Å; F502-A506 PolarHBondContact O-N 2.86Å; A506-R508 VanDerWaalsContact C-N 3.29Å; A506-R508 HydrophobicContact CB-CG 4.16Å; A506-R508 PolarHBondContact O-NH1 2.88Å; A506-R508 VanDerWaalsContact O-NH1 3.08Å; A506-P540 HydrophobicContact CB-CG 4.04Å; A506-I543 HydrophobicContact CB-CD1 4.27Å
507G89.6Confident85.4Confident34 Ų3430.3 Ų30.335%0.35118%0.179SC..SBendtrans7416.4-174.600000115L406 E503L406-G507 WeakPolarHBondContact O-CA 3.48Å; E503-G507 WeakPolarHBondContact O-CA 3.44Å; E503-G507 PolarHBondContact O-N 3.29Å
508R89.5Confident83.8Confident97 Ų9734.4 Ų34.437%0.36621%0.212SC..SBendtrans-164.5159.7-174.264.1-167.2-170.1-95.114.1111.6F502 E503 A506 E512F502-R508 VanDerWaalsContact CD1-O 3.22Å; F502-R508 WeakPolarHBondContact CD1-O 3.49Å; F502-R508 HydrophobicContact CE1-CG 4.45Å; F502-R508 VanDerWaalsContact CE1-O 3.32Å; F502-R508 WeakPolarHBondContact CE1-O 3.32Å; E503-R508 WeakPolarHBondContact CA-O 3.22Å; A506-R508 VanDerWaalsContact C-N 3.29Å; A506-R508 HydrophobicContact CB-CG 4.16Å; A506-R508 PolarHBondContact O-NH1 2.88Å; A506-R508 VanDerWaalsContact O-NH1 3.08Å; R508-E512 VanDerWaalsContact CD-OE1 3.28Å; R508-E512 WeakPolarHBondContact CD-OE1 3.31Å; R508-E512 VanDerWaalsContact CD-OE2 3.25Å; R508-E512 WeakPolarHBondContact CD-OE2 3.3Å; R508-E512 IonicContact CZ-OE2 2.68Å; R508-E512 VanDerWaalsContact NE-CD 3.29Å; R508-E512 IonicContact NE-OE1 2.65Å; R508-E512 IonicContact NE-OE2 3Å; R508-E512 PolarHBondContact NE-OE2 3.07Å; R508-E512 IonicContact NH2-OE2 3.52Å
509S90.6Very high82.4Confident23 Ų2337.6 Ų37.616%0.16123%0.23CC..  trans-61.6144175-174.70000112.2W511 E512S509-W511 PolarHBondContact O-N 2.89Å; S509-W511 VanDerWaalsContact O-N 3.08Å; S509-W511 PolarHBondContact OG-N 3.41Å; S509-E512 PolarHBondContact O-N 3.08Å
510P93Very high80.7Confident17 Ų1739.9 Ų39.911%0.1125%0.245CC..THydrogen-bonded Turntrans-62.5-13.2172.923.5-31.4000113.7V499 F502 I537V499-P510 HydrophobicContact CG1-CG 4.03Å; V499-P510 HydrophobicContact CG2-CG 4.47Å; F502-P510 HydrophobicContact CB-CG 4.48Å; F502-P510 HydrophobicContact CD1-CB 3.77Å; F502-P510 HydrophobicContact CD1-CG 4.12Å; F502-P510 HydrophobicContact CD2-CB 4.06Å; F502-P510 VanDerWaalsContact CE1-CA 3.4Å; F502-P510 HydrophobicContact CE1-CB 3.86Å; F502-P510 HydrophobicContact CE2-CB 4.12Å; F502-P510 HydrophobicContact CG-CB 3.89Å; F502-P510 HydrophobicContact CG-CG 4.23Å; F502-P510 HydrophobicContact CZ-CB 4.04Å; P510-I537 HydrophobicContact CB-CG2 4.15Å
511W90Very high79.2Confident6 Ų645.5 Ų45.52%0.02328%0.275CS..THydrogen-bonded Turntrans-97.418.7-179.4-31.6119.6000113.3N476 W495 V499 S509 G513 V514 L528 I531 I532 I537N476-W511 PolarHBondContact O-NE1 3.3Å; W495-W511 AromaticContact CH2-CH2 3.89Å; W495-W511 HydrophobicContact CH2-CH2 3.89Å; W495-W511 HydrophobicContact CH2-CZ2 4.48Å; W495-W511 AromaticContact CZ2-CH2 3.49Å; W495-W511 HydrophobicContact CZ2-CH2 3.49Å; W495-W511 VanDerWaalsContact CZ2-CH2 3.49Å; W495-W511 AromaticContact CZ2-CZ2 3.65Å; W495-W511 HydrophobicContact CZ2-CZ2 3.65Å; V499-W511 HydrophobicContact CG2-CZ2 3.91Å; S509-W511 PolarHBondContact O-N 2.89Å; S509-W511 VanDerWaalsContact O-N 3.08Å; S509-W511 PolarHBondContact OG-N 3.41Å; W511-G513 PolarHBondContact O-N 2.66Å; W511-V514 VanDerWaalsContact O-CG2 3.31Å; W511-V514 WeakPolarHBondContact O-CG2 3.41Å; W511-V514 PolarHBondContact O-N 2.9Å; W511-L528 HydrophobicContact CB-CD1 3.58Å; W511-L528 HydrophobicContact CG-CD1 3.69Å; W511-I531 HydrophobicContact CB-CG2 4.32Å; W511-I531 HydrophobicContact CE3-CG2 4.23Å; W511-I532 HydrophobicContact CD2-CG1 3.77Å; W511-I532 HydrophobicContact CE3-CG1 4.13Å; W511-I532 HydrophobicContact CG-CG1 4.27Å; W511-I532 HydrophobicContact CH2-CG1 4.25Å; W511-I532 HydrophobicContact CH2-CG2 4.5Å; W511-I532 HydrophobicContact CZ2-CG1 3.89Å; W511-I532 HydrophobicContact CZ3-CG1 4.35Å; W511-I537 HydrophobicContact CH2-CD1 3.73Å; W511-I537 HydrophobicContact CH2-CG1 4.2Å; W511-I537 HydrophobicContact CZ3-CD1 3.91Å; W511-I537 HydrophobicContact CZ3-CG1 3.84Å
512E70.8Confident77.8Confident109 Ų10948.3 Ų48.351%0.50929%0.288SS..THydrogen-bonded Turntrans-43136.6-177.8-172.1-176.7-152.900113.9R508 S509R508-E512 VanDerWaalsContact CD-OE1 3.28Å; R508-E512 WeakPolarHBondContact CD-OE1 3.31Å; R508-E512 VanDerWaalsContact CD-OE2 3.25Å; R508-E512 WeakPolarHBondContact CD-OE2 3.3Å; R508-E512 IonicContact CZ-OE2 2.68Å; R508-E512 VanDerWaalsContact NE-CD 3.29Å; R508-E512 IonicContact NE-OE1 2.65Å; R508-E512 IonicContact NE-OE2 3Å; R508-E512 PolarHBondContact NE-OE2 3.07Å; R508-E512 IonicContact NH2-OE2 3.52Å; S509-E512 PolarHBondContact O-N 3.08Å
513G62.3Low76.4Confident39 Ų3951.3 Ų51.340%0.40230%0.304SS..THydrogen-bonded Turntrans97.9-15.9-178.300000114.4W511W511-G513 PolarHBondContact O-N 2.66Å
514V61.3Low75.5Confident29 Ų2953.4 Ų53.418%0.17632%0.318CS..THydrogen-bonded Turntrans-74.8130.1168.6178.30000109.1W511 Q516 Y527 L528 I531W511-V514 VanDerWaalsContact O-CG2 3.31Å; W511-V514 WeakPolarHBondContact O-CG2 3.41Å; W511-V514 PolarHBondContact O-N 2.9Å; V514-Q516 VanDerWaalsContact C-N 3.35Å; V514-Y527 HydrophobicContact CB-CD1 4.35Å; V514-Y527 HydrophobicContact CG1-CD1 3.92Å; V514-Y527 HydrophobicContact CG2-CD1 3.83Å; V514-Y527 HydrophobicContact CG2-CE1 3.79Å; V514-L528 HydrophobicContact CG1-CB 3.81Å; V514-L528 HydrophobicContact CG1-CD1 4.24Å; V514-I531 HydrophobicContact CG2-CB 4.24Å; V514-I531 HydrophobicContact CG2-CG1 3.79Å; V514-I531 HydrophobicContact CG2-CG2 4.29Å
515G54.9Low74.8Confident42 Ų4256.6 Ų56.643%0.43333%0.333SS..THydrogen-bonded Turntrans91.4-15-177.400000115.4Q522 N523G515-Q522 PolarHBondContact N-O 3.27Å; G515-N523 WeakPolarHBondContact CA-OD1 3.27Å; G515-N523 PolarHBondContact N-OD1 3.43Å; G515-N523 PolarHBondContact O-OD1 2.94Å
516Q58.1Low74.2Confident174 Ų17459.3 Ų59.381%0.81335%0.347SS*.SBendtrans-118.513.7-179.4-61.9177.81100112.4V514 N523V514-Q516 VanDerWaalsContact C-N 3.35Å; Q516-N523 PolarHBondContact N-OD1 2.99Å
517S62.6Low73.8Confident29 Ų2961.6 Ų61.620%0.20336%0.355CS..  trans-82.5145.2-179.4-175.30000111N519 Q522 N523S517-N519 PolarHBondContact O-N 3.15Å; S517-N519 VanDerWaalsContact O-N 3.17Å; S517-N519 PolarHBondContact OG-N 3.21Å; S517-Q522 VanDerWaalsContact CB-OE1 3.29Å; S517-Q522 PolarHBondContact OG-OE1 2.74Å; S517-N523 PolarHBondContact N-OD1 2.66Å; S517-N523 PolarHBondContact O-ND2 3.37Å; S517-N523 PolarHBondContact O-OD1 3.11Å
518A64.6Low73.8Confident86 Ų8660.5 Ų60.571%0.71134%0.341SS*.SBendtrans-64-15169.500000112.9K61K61-A518 PolarHBondContact NZ-O 3.27Å
519N70.3Confident73.9Confident67 Ų6756.1 Ų56.136%0.35832%0.324SS..SBendtrans-91.9112.5172.9-174.8-3000110.6S517 D521 Q522S517-N519 PolarHBondContact O-N 3.15Å; S517-N519 VanDerWaalsContact O-N 3.17Å; S517-N519 PolarHBondContact OG-N 3.21Å; N519-D521 VanDerWaalsContact C-N 3.25Å; N519-D521 PolarHBondContact O-N 3.38Å; N519-D521 PolarHBondContact OD1-N 3.06Å; N519-Q522 HydrophobicContact CB-CB 4.5Å; N519-Q522 HydrophobicContact CB-CG 4.12Å; N519-Q522 WeakPolarHBondContact O-CB 3.46Å; N519-Q522 PolarHBondContact O-N 3.37Å
520P62.4Low73.9Confident49 Ų4960.3 Ų60.332%0.31834%0.341SS..G310 helixtrans-57.2-33.4-178.2-24.834.1000114.4K61 Q522 N523K61-P520 HydrophobicContact CB-CG 3.82Å; K61-P520 HydrophobicContact CD-CG 4.08Å; P520-Q522 PolarHBondContact O-N 2.86Å; P520-Q522 VanDerWaalsContact O-N 3.15Å; P520-N523 PolarHBondContact O-N 3.04Å
521D65.1Low73.8Confident118 Ų11860.1 Ų60.163%0.63134%0.339SS*.G310 helixtrans-59.2-30.5178.2-69.9-23.6000111.5N519 N523 T524 Y527N519-D521 VanDerWaalsContact C-N 3.25Å; N519-D521 PolarHBondContact O-N 3.38Å; N519-D521 PolarHBondContact OD1-N 3.06Å; D521-N523 VanDerWaalsContact C-N 3.26Å; D521-N523 PolarHBondContact O-N 3.45Å; D521-T524 PolarHBondContact O-OG1 3.37Å; D521-Y527 VanDerWaalsContact O-CB 3.3Å; D521-Y527 WeakPolarHBondContact O-CB 3.09Å
522Q70.6Confident74Confident59 Ų5959.8 Ų59.828%0.27634%0.338SS..G310 helixtrans-830.8179.3-60.2-174.3-10.100113.9G515 S517 N519 P520 Y527G515-Q522 PolarHBondContact N-O 3.27Å; S517-Q522 VanDerWaalsContact CB-OE1 3.29Å; S517-Q522 PolarHBondContact OG-OE1 2.74Å; N519-Q522 HydrophobicContact CB-CB 4.5Å; N519-Q522 HydrophobicContact CB-CG 4.12Å; N519-Q522 WeakPolarHBondContact O-CB 3.46Å; N519-Q522 PolarHBondContact O-N 3.37Å; P520-Q522 PolarHBondContact O-N 2.86Å; P520-Q522 VanDerWaalsContact O-N 3.15Å; Q522-Y527 HydrophobicContact CB-CD1 3.7Å; Q522-Y527 HydrophobicContact CB-CE1 3.53Å; Q522-Y527 HydrophobicContact CB-CE2 4.44Å; Q522-Y527 HydrophobicContact CB-CG 4.21Å; Q522-Y527 HydrophobicContact CG-CD1 4.15Å; Q522-Y527 HydrophobicContact CG-CD2 4.21Å; Q522-Y527 HydrophobicContact CG-CE1 3.71Å; Q522-Y527 HydrophobicContact CG-CE2 3.81Å; Q522-Y527 HydrophobicContact CG-CG 4.37Å; Q522-Y527 WeakPolarHBondContact O-CD1 3.49Å
523N67.5Low75.1Confident68 Ų6856.6 Ų56.636%0.36432%0.324SS..G310 helixtrans-104.79.8177-58.6-20.5000112.6G515 Q516 S517 P520 D521G515-N523 WeakPolarHBondContact CA-OD1 3.27Å; G515-N523 PolarHBondContact N-OD1 3.43Å; G515-N523 PolarHBondContact O-OD1 2.94Å; Q516-N523 PolarHBondContact N-OD1 2.99Å; S517-N523 PolarHBondContact N-OD1 2.66Å; S517-N523 PolarHBondContact O-ND2 3.37Å; S517-N523 PolarHBondContact O-OD1 3.11Å; P520-N523 PolarHBondContact O-N 3.04Å; D521-N523 VanDerWaalsContact C-N 3.26Å; D521-N523 PolarHBondContact O-N 3.45Å
524T76.6Confident76.5Confident59 Ų5958.8 Ų58.836%0.36233%0.333SS..SBendtrans-93.1152-179.465.40000112.3D521 D526 Y527 L528D521-T524 PolarHBondContact O-OG1 3.37Å; T524-D526 PolarHBondContact O-N 2.84Å; T524-Y527 PolarHBondContact O-N 3.11Å; T524-Y527 WeakPolarHBondContact OG1-CB 3.48Å; T524-Y527 PolarHBondContact OG1-N 3.39Å; T524-Y527 VanDerWaalsContact OG1-N 3.1Å; T524-L528 PolarHBondContact O-N 3.28Å; T524-L528 VanDerWaalsContact O-N 3.07Å
525E81.7Confident77.9Confident68 Ų6862.3 Ų62.332%0.31834%0.343SS..Hα-helixtrans-58.2-35.9168.8-70.8177.3-174.900111.4Y527 L528 F529E525-Y527 VanDerWaalsContact C-N 3.29Å; E525-Y527 PolarHBondContact O-N 3.23Å; E525-L528 WeakPolarHBondContact O-CB 3.29Å; E525-L528 PolarHBondContact O-N 3.03Å; E525-F529 HydrophobicContact CB-CE2 3.97Å; E525-F529 HydrophobicContact CB-CZ 3.97Å; E525-F529 WeakPolarHBondContact O-CD1 3.43Å; E525-F529 VanDerWaalsContact O-CD2 3.23Å; E525-F529 WeakPolarHBondContact O-CD2 3.38Å; E525-F529 WeakPolarHBondContact O-CG 3.33Å; E525-F529 PolarHBondContact O-N 3.34Å
526D83.9Confident79.7Confident64 Ų6465 Ų6534%0.34235%0.353SS..Hα-helixtrans-62.4-37.9177.5-73.8-34.7000111.6T524 F529 Q530T524-D526 PolarHBondContact O-N 2.84Å; D526-F529 PolarHBondContact O-N 3.39Å; D526-Q530 WeakPolarHBondContact O-CG 3.4Å; D526-Q530 PolarHBondContact O-N 3.04Å
527Y85.1Confident81.4Confident56 Ų5658.1 Ų58.122%0.2232%0.322CS..Hα-helixtrans-68.6-42.8172.9-174.6-107.9000112V514 D521 Q522 T524 E525 F529 Q530 I531V514-Y527 HydrophobicContact CB-CD1 4.35Å; V514-Y527 HydrophobicContact CG1-CD1 3.92Å; V514-Y527 HydrophobicContact CG2-CD1 3.83Å; V514-Y527 HydrophobicContact CG2-CE1 3.79Å; D521-Y527 VanDerWaalsContact O-CB 3.3Å; D521-Y527 WeakPolarHBondContact O-CB 3.09Å; Q522-Y527 HydrophobicContact CB-CD1 3.7Å; Q522-Y527 HydrophobicContact CB-CE1 3.53Å; Q522-Y527 HydrophobicContact CB-CE2 4.44Å; Q522-Y527 HydrophobicContact CB-CG 4.21Å; Q522-Y527 HydrophobicContact CG-CD1 4.15Å; Q522-Y527 HydrophobicContact CG-CD2 4.21Å; Q522-Y527 HydrophobicContact CG-CE1 3.71Å; Q522-Y527 HydrophobicContact CG-CE2 3.81Å; Q522-Y527 HydrophobicContact CG-CG 4.37Å; Q522-Y527 WeakPolarHBondContact O-CD1 3.49Å; T524-Y527 PolarHBondContact O-N 3.11Å; T524-Y527 WeakPolarHBondContact OG1-CB 3.48Å; T524-Y527 PolarHBondContact OG1-N 3.39Å; T524-Y527 VanDerWaalsContact OG1-N 3.1Å; E525-Y527 VanDerWaalsContact C-N 3.29Å; E525-Y527 PolarHBondContact O-N 3.23Å; Y527-F529 VanDerWaalsContact C-N 3.3Å; Y527-F529 PolarHBondContact O-N 2.69Å; Y527-Q530 WeakPolarHBondContact O-CB 3.48Å; Y527-Q530 PolarHBondContact O-N 2.54Å; Y527-Q530 VanDerWaalsContact O-N 3.15Å; Y527-I531 HydrophobicContact CD1-CG1 4.08Å; Y527-I531 HydrophobicContact CE1-CD1 4.11Å; Y527-I531 HydrophobicContact CE1-CG1 3.81Å; Y527-I531 HydrophobicContact CE2-CD1 4.31Å; Y527-I531 HydrophobicContact CE2-CG1 4.42Å; Y527-I531 WeakPolarHBondContact O-CG1 3.42Å; Y527-I531 PolarHBondContact O-N 3.27Å
528L88Confident82.8Confident11 Ų1166.4 Ų66.46%0.05835%0.349CS..Hα-helixtrans-53.4-48.5172175.661.4000111.2P475 N476 W511 V514 T524 E525 Q530 I531 I532P475-L528 HydrophobicContact CB-CD2 3.85Å; N476-L528 VanDerWaalsContact OD1-CD2 3.27Å; N476-L528 WeakPolarHBondContact OD1-CD2 3.21Å; W511-L528 HydrophobicContact CB-CD1 3.58Å; W511-L528 HydrophobicContact CG-CD1 3.69Å; V514-L528 HydrophobicContact CG1-CB 3.81Å; V514-L528 HydrophobicContact CG1-CD1 4.24Å; T524-L528 PolarHBondContact O-N 3.28Å; T524-L528 VanDerWaalsContact O-N 3.07Å; E525-L528 WeakPolarHBondContact O-CB 3.29Å; E525-L528 PolarHBondContact O-N 3.03Å; L528-Q530 VanDerWaalsContact C-N 3.33Å; L528-Q530 PolarHBondContact O-N 3.45Å; L528-I531 WeakPolarHBondContact O-CB 3.2Å; L528-I531 PolarHBondContact O-N 3.45Å; L528-I531 VanDerWaalsContact O-N 3.08Å; L528-I532 HydrophobicContact CD1-CD1 4.13Å; L528-I532 HydrophobicContact CD1-CG1 4.31Å; L528-I532 HydrophobicContact CG-CD1 3.96Å; L528-I532 WeakPolarHBondContact O-CG1 3.24Å; L528-I532 PolarHBondContact O-N 2.92Å
529F92.1Very high84.2Confident6 Ų664.4 Ų64.43%0.02632%0.324CS..Hα-helixtrans-62.5-39.4178.9-59.5-25.5000112.2L129 F471 P475 I478 L483 E525 D526 Y527 I531 I532 L533L129-F529 HydrophobicContact CD1-CB 3.74Å; F471-F529 HydrophobicContact CZ-CE2 4.26Å; F471-F529 HydrophobicContact CZ-CZ 4.28Å; P475-F529 HydrophobicContact CB-CE1 3.93Å; P475-F529 HydrophobicContact CB-CZ 4.32Å; I478-F529 HydrophobicContact CD1-CE1 4.17Å; I478-F529 HydrophobicContact CD1-CZ 4.41Å; L483-F529 HydrophobicContact CD1-CB 3.98Å; L483-F529 HydrophobicContact CD1-CD1 4.15Å; L483-F529 HydrophobicContact CD1-CG 4.35Å; L483-F529 HydrophobicContact CD2-CB 3.99Å; L483-F529 HydrophobicContact CD2-CD1 3.49Å; L483-F529 VanDerWaalsContact CD2-CD1 3.49Å; L483-F529 HydrophobicContact CD2-CD2 4.2Å; L483-F529 HydrophobicContact CD2-CE1 3.96Å; L483-F529 HydrophobicContact CD2-CG 3.62Å; L483-F529 HydrophobicContact CG-CD1 4.49Å; E525-F529 HydrophobicContact CB-CE2 3.97Å; E525-F529 HydrophobicContact CB-CZ 3.97Å; E525-F529 WeakPolarHBondContact O-CD1 3.43Å; E525-F529 VanDerWaalsContact O-CD2 3.23Å; E525-F529 WeakPolarHBondContact O-CD2 3.38Å; E525-F529 WeakPolarHBondContact O-CG 3.33Å; E525-F529 PolarHBondContact O-N 3.34Å; D526-F529 PolarHBondContact O-N 3.39Å; Y527-F529 VanDerWaalsContact C-N 3.3Å; Y527-F529 PolarHBondContact O-N 2.69Å; F529-I531 VanDerWaalsContact C-N 3.32Å; F529-I531 PolarHBondContact O-N 2.99Å; F529-I532 HydrophobicContact CD1-CD1 4.43Å; F529-I532 PolarHBondContact O-N 2.73Å; F529-L533 WeakPolarHBondContact O-CG 3.37Å; F529-L533 PolarHBondContact O-N 3.43Å; F529-L533 VanDerWaalsContact O-N 3.1Å
530Q90.6Very high85.2Confident110 Ų11062.2 Ų62.251%0.51431%0.313SS..Hα-helixtrans-62.4-40172.7-74.4-179.96.500112.1L129 D526 Y527 L528 L533 S534L129-Q530 HydrophobicContact CD1-CG 4.23Å; D526-Q530 WeakPolarHBondContact O-CG 3.4Å; D526-Q530 PolarHBondContact O-N 3.04Å; Y527-Q530 WeakPolarHBondContact O-CB 3.48Å; Y527-Q530 PolarHBondContact O-N 2.54Å; Y527-Q530 VanDerWaalsContact O-N 3.15Å; L528-Q530 VanDerWaalsContact C-N 3.33Å; L528-Q530 PolarHBondContact O-N 3.45Å; Q530-L533 PolarHBondContact O-N 3.08Å; Q530-S534 WeakPolarHBondContact O-CB 3.16Å; Q530-S534 PolarHBondContact O-N 3.1Å; Q530-S534 PolarHBondContact O-OG 3.47Å
531I91.7Very high86.6Confident13 Ų1372.2 Ų72.27%0.06735%0.345CS..Hα-helixtrans-64.9-47.7177.7-69.2-63.6000111W511 V514 Y527 L528 F529 L533 S534 R535W511-I531 HydrophobicContact CB-CG2 4.32Å; W511-I531 HydrophobicContact CE3-CG2 4.23Å; V514-I531 HydrophobicContact CG2-CB 4.24Å; V514-I531 HydrophobicContact CG2-CG1 3.79Å; V514-I531 HydrophobicContact CG2-CG2 4.29Å; Y527-I531 HydrophobicContact CD1-CG1 4.08Å; Y527-I531 HydrophobicContact CE1-CD1 4.11Å; Y527-I531 HydrophobicContact CE1-CG1 3.81Å; Y527-I531 HydrophobicContact CE2-CD1 4.31Å; Y527-I531 HydrophobicContact CE2-CG1 4.42Å; Y527-I531 WeakPolarHBondContact O-CG1 3.42Å; Y527-I531 PolarHBondContact O-N 3.27Å; L528-I531 WeakPolarHBondContact O-CB 3.2Å; L528-I531 PolarHBondContact O-N 3.45Å; L528-I531 VanDerWaalsContact O-N 3.08Å; F529-I531 VanDerWaalsContact C-N 3.32Å; F529-I531 PolarHBondContact O-N 2.99Å; I531-L533 VanDerWaalsContact C-N 3.27Å; I531-L533 PolarHBondContact O-N 3.45Å; I531-S534 PolarHBondContact O-N 3.49Å; I531-R535 HydrophobicContact CD1-CB 4.41Å; I531-R535 HydrophobicContact CG2-CB 3.99Å; I531-R535 VanDerWaalsContact O-CB 3.29Å; I531-R535 WeakPolarHBondContact O-CB 3.32Å; I531-R535 PolarHBondContact O-N 3.24Å
532I93.6Very high87.9Confident0 Ų070 Ų700%034%0.339CS..Hα-helixtrans-54-46175.8-69.6168.2000110.5P480 L483 W495 W511 L528 F529 K557P480-I532 HydrophobicContact CG-CG2 4.17Å; L483-I532 HydrophobicContact CD1-CB 3.75Å; L483-I532 HydrophobicContact CD1-CD1 4.16Å; L483-I532 HydrophobicContact CD1-CG2 3.54Å; W495-I532 HydrophobicContact CZ2-CG2 3.89Å; W511-I532 HydrophobicContact CD2-CG1 3.77Å; W511-I532 HydrophobicContact CE3-CG1 4.13Å; W511-I532 HydrophobicContact CG-CG1 4.27Å; W511-I532 HydrophobicContact CH2-CG1 4.25Å; W511-I532 HydrophobicContact CH2-CG2 4.5Å; W511-I532 HydrophobicContact CZ2-CG1 3.89Å; W511-I532 HydrophobicContact CZ3-CG1 4.35Å; L528-I532 HydrophobicContact CD1-CD1 4.13Å; L528-I532 HydrophobicContact CD1-CG1 4.31Å; L528-I532 HydrophobicContact CG-CD1 3.96Å; L528-I532 WeakPolarHBondContact O-CG1 3.24Å; L528-I532 PolarHBondContact O-N 2.92Å; F529-I532 HydrophobicContact CD1-CD1 4.43Å; F529-I532 PolarHBondContact O-N 2.73Å; I532-K557 WeakPolarHBondContact O-CE 3.16Å; I532-K557 PolarHBondContact O-NZ 3.23Å
533L94.2Very high89Confident42 Ų4267.8 Ų67.822%0.2233%0.329CS..Hα-helixtrans-70.1-44.1-179.7-69.9-174.9000113.5L129 P480 L483 K484 F529 Q530 I531 K557L129-L533 HydrophobicContact CD1-CD1 3.41Å; L129-L533 VanDerWaalsContact CD1-CD1 3.41Å; L129-L533 HydrophobicContact CD1-CG 4.32Å; L129-L533 HydrophobicContact CD2-CD1 3.63Å; L129-L533 HydrophobicContact CG-CD1 4.1Å; P480-L533 HydrophobicContact CB-CD2 3.8Å; P480-L533 WeakPolarHBondContact O-CD2 3.5Å; L483-L533 HydrophobicContact CB-CD1 4.24Å; L483-L533 HydrophobicContact CB-CD2 3.91Å; L483-L533 HydrophobicContact CB-CG 4.15Å; L483-L533 HydrophobicContact CD1-CD2 4.26Å; L483-L533 HydrophobicContact CD1-CG 4.13Å; K484-L533 HydrophobicContact CD-CD2 4.48Å; K484-L533 HydrophobicContact CG-CD1 4.46Å; K484-L533 HydrophobicContact CG-CD2 3.87Å; F529-L533 WeakPolarHBondContact O-CG 3.37Å; F529-L533 PolarHBondContact O-N 3.43Å; F529-L533 VanDerWaalsContact O-N 3.1Å; Q530-L533 PolarHBondContact O-N 3.08Å; I531-L533 VanDerWaalsContact C-N 3.27Å; I531-L533 PolarHBondContact O-N 3.45Å; L533-K557 WeakPolarHBondContact O-CD 3.43Å; L533-K557 PolarHBondContact O-NZ 3.25Å
534S91.2Very high90.4Very high85 Ų8566.5 Ų66.559%0.59433%0.325SS*.Hα-helixtrans-102.3-36.9-164.365.10000114.5Q530 I531 K557Q530-S534 WeakPolarHBondContact O-CB 3.16Å; Q530-S534 PolarHBondContact O-N 3.1Å; Q530-S534 PolarHBondContact O-OG 3.47Å; I531-S534 PolarHBondContact O-N 3.49Å; S534-K557 VanDerWaalsContact C-NZ 3.25Å; S534-K557 PolarHBondContact O-NZ 3.01Å
535R91.5Very high91.3Very high102 Ų10270 Ų7039%0.38535%0.346SS..SBendtrans-80.1130.3-169.3-169.6172.6175.1-179.3-5.7111.3I531 K557I531-R535 HydrophobicContact CD1-CB 4.41Å; I531-R535 HydrophobicContact CG2-CB 3.99Å; I531-R535 VanDerWaalsContact O-CB 3.29Å; I531-R535 WeakPolarHBondContact O-CB 3.32Å; I531-R535 PolarHBondContact O-N 3.24Å; R535-K557 WeakPolarHBondContact O-CE 3.43Å; R535-K557 PolarHBondContact O-NZ 3Å
536P92.2Very high92Very high99 Ų9973.4 Ų73.464%0.64336%0.356SS*.PPolyproline II helixtrans-65.4137.9167.7-2133.2000110.8
537I93.5Very high92.7Very high29 Ų2970.3 Ų70.315%0.14934%0.339CS..PPolyproline II helixtrans-74.6133.5178.3-57.3179.2000108.8F502 P510 W511 F539 L555F502-I537 HydrophobicContact CD2-CG2 4.31Å; F502-I537 HydrophobicContact CE2-CG2 3.98Å; P510-I537 HydrophobicContact CB-CG2 4.15Å; W511-I537 HydrophobicContact CH2-CD1 3.73Å; W511-I537 HydrophobicContact CH2-CG1 4.2Å; W511-I537 HydrophobicContact CZ3-CD1 3.91Å; W511-I537 HydrophobicContact CZ3-CG1 3.84Å; I537-F539 HydrophobicContact CB-CZ 4.2Å; I537-F539 HydrophobicContact CG2-CD1 4.4Å; I537-F539 HydrophobicContact CG2-CE1 3.78Å; I537-F539 HydrophobicContact CG2-CE2 4.36Å; I537-F539 HydrophobicContact CG2-CZ 3.77Å; I537-L555 HydrophobicContact CD1-CB 3.62Å; I537-L555 HydrophobicContact CD1-CD1 3.68Å; I537-L555 HydrophobicContact CD1-CD2 4.19Å; I537-L555 HydrophobicContact CD1-CG 4.03Å
538R92.4Very high93.3Very high203 Ų20369.1 Ų69.177%0.76634%0.338SS*.  trans-111.3119.7178-66-174.6-179.3-174.4-0.5109.4
539F93Very high93.7Very high44 Ų4471.4 Ų71.419%0.19336%0.355CS..  trans-86.5133.2179.6-54.1-78.4000110.9F502 I537 T548 L551 N552 L555F502-F539 AromaticContact CD2-CD1 3.93Å; F502-F539 HydrophobicContact CD2-CD1 3.93Å; F502-F539 AromaticContact CD2-CE1 3.97Å; F502-F539 HydrophobicContact CD2-CE1 3.97Å; F502-F539 AromaticContact CE2-CD1 3.8Å; F502-F539 HydrophobicContact CE2-CD1 3.8Å; F502-F539 HydrophobicContact CE2-CE1 4.15Å; I537-F539 HydrophobicContact CB-CZ 4.2Å; I537-F539 HydrophobicContact CG2-CD1 4.4Å; I537-F539 HydrophobicContact CG2-CE1 3.78Å; I537-F539 HydrophobicContact CG2-CE2 4.36Å; I537-F539 HydrophobicContact CG2-CZ 3.77Å; F539-T548 HydrophobicContact CB-CG2 4.14Å; F539-T548 HydrophobicContact CD2-CG2 3.71Å; F539-T548 HydrophobicContact CE2-CG2 4.31Å; F539-T548 HydrophobicContact CG-CG2 3.84Å; F539-L551 HydrophobicContact CD1-CB 4.2Å; F539-L551 HydrophobicContact CD1-CD1 3.84Å; F539-L551 HydrophobicContact CE1-CB 3.56Å; F539-L551 HydrophobicContact CE1-CD1 3.97Å; F539-L551 HydrophobicContact CE1-CG 4.4Å; F539-L551 HydrophobicContact CZ-CB 4.22Å; F539-N552 WeakPolarHBondContact CE2-ND2 3.26Å; F539-N552 WeakPolarHBondContact CE2-OD1 3.41Å; F539-N552 WeakPolarHBondContact CZ-OD1 3.21Å; F539-L555 HydrophobicContact CE1-CD1 4.34Å
540P91.5Very high94Very high21 Ų2171.1 Ų71.114%0.13635%0.354CS..  trans-57.3141.6170.6-23.932.9000111.6A506 S542 I543A506-P540 HydrophobicContact CB-CG 4.04Å; P540-S542 PolarHBondContact O-N 3.15Å; P540-I543 HydrophobicContact CB-CG1 4.39Å; P540-I543 HydrophobicContact CG-CD1 4.25Å; P540-I543 PolarHBondContact O-N 3.29Å
541R92.5Very high94.4Very high260 Ų26065.9 Ų65.998%0.98133%0.329SS*.THydrogen-bonded Turntrans-61.1-15.5176.6-63.4-176-175.2179.61.2113.9I543R541-I543 VanDerWaalsContact C-N 3.31Å
542S91.7Very high94.7Very high72 Ų7268.5 Ų68.550%0.50334%0.343SS..THydrogen-bonded Turntrans-77.3-14.2176.658.20000113.8R407 P540R407-S542 PolarHBondContact NH1-OG 3.37Å; P540-S542 PolarHBondContact O-N 3.15Å
543I94.1Very high94.9Very high12 Ų1269.4 Ų69.46%0.06235%0.351CS..SBendtrans-86.2130.7176.1-58.8-174.5000108.1L505 A506 P540 R541 A547 L551L505-I543 HydrophobicContact CB-CD1 3.87Å; L505-I543 HydrophobicContact CB-CG1 4.29Å; L505-I543 HydrophobicContact CD1-CG2 4.44Å; A506-I543 HydrophobicContact CB-CD1 4.27Å; P540-I543 HydrophobicContact CB-CG1 4.39Å; P540-I543 HydrophobicContact CG-CD1 4.25Å; P540-I543 PolarHBondContact O-N 3.29Å; R541-I543 VanDerWaalsContact C-N 3.31Å; I543-A547 HydrophobicContact CG2-CB 3.41Å; I543-A547 VanDerWaalsContact CG2-CB 3.41Å; I543-L551 HydrophobicContact CD1-CD1 4.11Å; I543-L551 HydrophobicContact CG2-CD1 4.27Å
544S96.2Very high95Very high40 Ų4067.4 Ų67.428%0.2834%0.34SS..  trans-61.4161.2-178.776.60000112.2E410 R546 A547 T548E410-S544 WeakPolarHBondContact OE1-CA 3.41Å; E410-S544 WeakPolarHBondContact OE1-CB 3.15Å; E410-S544 PolarHBondContact OE1-N 3.43Å; E410-S544 PolarHBondContact OE1-OG 2.87Å; E410-S544 WeakPolarHBondContact OE2-CB 3.49Å; E410-S544 PolarHBondContact OE2-OG 2.81Å; S544-R546 PolarHBondContact O-N 3.17Å; S544-R546 PolarHBondContact OG-N 3.22Å; S544-A547 PolarHBondContact O-N 3.35Å; S544-A547 WeakPolarHBondContact OG-CB 3.36Å; S544-A547 PolarHBondContact OG-N 3.23Å; S544-A547 VanDerWaalsContact OG-N 3.08Å; S544-T548 VanDerWaalsContact O-CB 3.31Å; S544-T548 WeakPolarHBondContact O-CB 3.21Å; S544-T548 PolarHBondContact O-N 2.91Å; S544-T548 PolarHBondContact O-OG1 3.4Å
545V96.8Very high95.4Very high132 Ų13264 Ų6480%0.832%0.315SS*.Hα-helixtrans-58.2-37.1175.2179.20000111.1T548 S549V545-T548 PolarHBondContact O-N 2.88Å; V545-S549 WeakPolarHBondContact O-CB 3.39Å; V545-S549 PolarHBondContact O-N 2.83Å
546R96.1Very high95.6Very high140 Ų14062.2 Ų62.253%0.52831%0.311SS..Hα-helixtrans-71.7-42.6-179.7-178.1-177.8-80.21382.4112.1S544 S549 I550 G578 F579S544-R546 PolarHBondContact O-N 3.17Å; S544-R546 PolarHBondContact OG-N 3.22Å; R546-S549 WeakPolarHBondContact O-CB 3.35Å; R546-S549 PolarHBondContact O-N 2.89Å; R546-I550 PolarHBondContact O-N 2.97Å; R546-G578 WeakPolarHBondContact CD-O 3.39Å; R546-G578 PolarHBondContact NE-O 3.29Å; R546-G578 VanDerWaalsContact NE-O 3.15Å; R546-F579 HydrophobicContact CG-CB 4.03Å; R546-F579 HydrophobicContact CG-CD2 4.25Å
547A97.8Very high95.8Very high0 Ų059.9 Ų59.90%029%0.291CS..Hα-helixtrans-66.4-39.2173.300000111.6L505 I543 S544 S549 I550 L551 F579L505-A547 HydrophobicContact CD1-CB 4.08Å; I543-A547 HydrophobicContact CG2-CB 3.41Å; I543-A547 VanDerWaalsContact CG2-CB 3.41Å; S544-A547 PolarHBondContact O-N 3.35Å; S544-A547 WeakPolarHBondContact OG-CB 3.36Å; S544-A547 PolarHBondContact OG-N 3.23Å; S544-A547 VanDerWaalsContact OG-N 3.08Å; A547-S549 VanDerWaalsContact C-N 3.28Å; A547-S549 PolarHBondContact O-N 2.89Å; A547-I550 WeakPolarHBondContact O-CG2 3Å; A547-I550 PolarHBondContact O-N 2.95Å; A547-L551 WeakPolarHBondContact O-CB 3.46Å; A547-L551 VanDerWaalsContact O-CG 3.26Å; A547-L551 WeakPolarHBondContact O-CG 3.45Å; A547-L551 PolarHBondContact O-N 3.47Å; A547-F579 HydrophobicContact CB-CD2 4.06Å; A547-F579 HydrophobicContact CB-CE2 3.79Å
548T97.9Very high95.9Very high30 Ų3061.4 Ų61.418%0.18430%0.301CS..Hα-helixtrans-63.3-35.1172.9-59.50000111.9F539 S544 V545 N552F539-T548 HydrophobicContact CB-CG2 4.14Å; F539-T548 HydrophobicContact CD2-CG2 3.71Å; F539-T548 HydrophobicContact CE2-CG2 4.31Å; F539-T548 HydrophobicContact CG-CG2 3.84Å; S544-T548 VanDerWaalsContact O-CB 3.31Å; S544-T548 WeakPolarHBondContact O-CB 3.21Å; S544-T548 PolarHBondContact O-N 2.91Å; S544-T548 PolarHBondContact O-OG1 3.4Å; V545-T548 PolarHBondContact O-N 2.88Å; T548-N552 WeakPolarHBondContact CG2-ND2 3.37Å; T548-N552 WeakPolarHBondContact O-CB 3.46Å; T548-N552 PolarHBondContact O-N 3.03Å; T548-N552 PolarHBondContact O-ND2 3.38Å
549S97.9Very high96.1Very high60 Ų6053.1 Ų53.142%0.4227%0.274SS..Hα-helixtrans-61.9-50175.8-173.10000111.8V545 R546 A547 N552 A553 H577V545-S549 WeakPolarHBondContact O-CB 3.39Å; V545-S549 PolarHBondContact O-N 2.83Å; R546-S549 WeakPolarHBondContact O-CB 3.35Å; R546-S549 PolarHBondContact O-N 2.89Å; A547-S549 VanDerWaalsContact C-N 3.28Å; A547-S549 PolarHBondContact O-N 2.89Å; S549-N552 PolarHBondContact O-N 3.33Å; S549-A553 WeakPolarHBondContact O-CB 3.36Å; S549-A553 PolarHBondContact O-N 3.27Å; S549-H577 PolarHBondContact OG-NE2 2.91Å
550I98.2Very high96.1Very high0 Ų055 Ų550%029%0.289CS..Hα-helixtrans-66.8-40.6-179.6-172.170.1000111.3M501 R546 A547 N552 A553 F554 L563 H577 F579 F580M501-I550 HydrophobicContact CE-CG1 4.02Å; M501-I550 HydrophobicContact CE-CG2 3.7Å; R546-I550 PolarHBondContact O-N 2.97Å; A547-I550 WeakPolarHBondContact O-CG2 3Å; A547-I550 PolarHBondContact O-N 2.95Å; I550-N552 PolarHBondContact O-N 2.97Å; I550-A553 WeakPolarHBondContact O-CB 3.47Å; I550-A553 PolarHBondContact O-N 2.81Å; I550-A553 VanDerWaalsContact O-N 3.09Å; I550-F554 HydrophobicContact CD1-CD2 4.03Å; I550-F554 HydrophobicContact CD1-CE2 3.63Å; I550-F554 HydrophobicContact CD1-CZ 4.18Å; I550-F554 HydrophobicContact CG1-CD2 3.75Å; I550-F554 HydrophobicContact CG1-CE2 3.6Å; I550-F554 PolarHBondContact O-N 3.33Å; I550-L563 HydrophobicContact CD1-CD2 3.35Å; I550-H577 WeakPolarHBondContact CA-CE1 3.37Å; I550-H577 WeakPolarHBondContact CB-CE1 3.4Å; I550-H577 HydrophobicContact CD1-CB 3.93Å; I550-H577 VanDerWaalsContact CD1-CG 3.45Å; I550-H577 WeakPolarHBondContact CD1-ND1 3.34Å; I550-H577 PolarHBondContact N-CE1 2.9Å; I550-H577 VanDerWaalsContact N-CE1 3.27Å; I550-F579 HydrophobicContact CB-CB 3.78Å; I550-F579 HydrophobicContact CB-CD1 4.36Å; I550-F579 HydrophobicContact CB-CG 4.1Å; I550-F579 HydrophobicContact CG1-CB 4.34Å; I550-F579 HydrophobicContact CG1-CD1 4.37Å; I550-F579 HydrophobicContact CG2-CB 3.76Å; I550-F579 HydrophobicContact CG2-CD1 3.78Å; I550-F579 HydrophobicContact CG2-CD2 3.9Å; I550-F579 HydrophobicContact CG2-CE1 4.32Å; I550-F579 HydrophobicContact CG2-CE2 4.45Å; I550-F579 HydrophobicContact CG2-CG 3.53Å; I550-F580 HydrophobicContact CD1-CD2 4.29Å; I550-F580 HydrophobicContact CD1-CE2 3.82Å; I550-F580 HydrophobicContact CG1-CE2 4.09Å
551L98.4Very high96.3Very high0 Ų060 Ų600%031%0.311CS..Hα-helixtrans-62.2-43.8177.7-70.2173.7000111.4G498 M501 F502 L505 F539 I543 A547 A553 F554 L555G498-L551 WeakPolarHBondContact O-CD2 3.43Å; M501-L551 HydrophobicContact CB-CD2 3.61Å; F502-L551 HydrophobicContact CB-CD2 4.05Å; F502-L551 HydrophobicContact CD2-CD1 4.25Å; L505-L551 HydrophobicContact CD1-CD1 3.91Å; L505-L551 HydrophobicContact CD1-CD2 4.41Å; L505-L551 HydrophobicContact CD1-CG 4.3Å; F539-L551 HydrophobicContact CD1-CB 4.2Å; F539-L551 HydrophobicContact CD1-CD1 3.84Å; F539-L551 HydrophobicContact CE1-CB 3.56Å; F539-L551 HydrophobicContact CE1-CD1 3.97Å; F539-L551 HydrophobicContact CE1-CG 4.4Å; F539-L551 HydrophobicContact CZ-CB 4.22Å; I543-L551 HydrophobicContact CD1-CD1 4.11Å; I543-L551 HydrophobicContact CG2-CD1 4.27Å; A547-L551 WeakPolarHBondContact O-CB 3.46Å; A547-L551 VanDerWaalsContact O-CG 3.26Å; A547-L551 WeakPolarHBondContact O-CG 3.45Å; A547-L551 PolarHBondContact O-N 3.47Å; L551-A553 VanDerWaalsContact C-N 3.26Å; L551-A553 PolarHBondContact O-N 3.5Å; L551-F554 PolarHBondContact O-N 3.39Å; L551-L555 HydrophobicContact CB-CD1 4.37Å; L551-L555 WeakPolarHBondContact O-CB 3.36Å; L551-L555 VanDerWaalsContact O-CG 3.24Å; L551-L555 WeakPolarHBondContact O-CG 3.36Å; L551-L555 PolarHBondContact O-N 2.95Å
552N97.4Very high96.5Very high68 Ų6847.8 Ų47.836%0.36427%0.265SS..Hα-helixtrans-61.7-35.4173.8-85.2-54.9000112.4F539 T548 S549 I550 Q556F539-N552 WeakPolarHBondContact CE2-ND2 3.26Å; F539-N552 WeakPolarHBondContact CE2-OD1 3.41Å; F539-N552 WeakPolarHBondContact CZ-OD1 3.21Å; T548-N552 WeakPolarHBondContact CG2-ND2 3.37Å; T548-N552 WeakPolarHBondContact O-CB 3.46Å; T548-N552 PolarHBondContact O-N 3.03Å; T548-N552 PolarHBondContact O-ND2 3.38Å; S549-N552 PolarHBondContact O-N 3.33Å; I550-N552 PolarHBondContact O-N 2.97Å; N552-Q556 WeakPolarHBondContact O-CG 3.24Å; N552-Q556 PolarHBondContact O-NE2 2.98Å
553A97.4Very high96.7Very high19 Ų1945.7 Ų45.716%0.15725%0.248CC..Hα-helixtrans-70.8-41.4-178.900000111.8S549 I550 L551 R562 L563S549-A553 WeakPolarHBondContact O-CB 3.36Å; S549-A553 PolarHBondContact O-N 3.27Å; I550-A553 WeakPolarHBondContact O-CB 3.47Å; I550-A553 PolarHBondContact O-N 2.81Å; I550-A553 VanDerWaalsContact O-N 3.09Å; L551-A553 VanDerWaalsContact C-N 3.26Å; L551-A553 PolarHBondContact O-N 3.5Å; A553-R562 WeakPolarHBondContact O-CA 3.5Å; A553-L563 HydrophobicContact CB-CB 3.82Å; A553-L563 HydrophobicContact CB-CD2 4.06Å; A553-L563 HydrophobicContact CB-CG 4.41Å; A553-L563 PolarHBondContact O-N 2.97Å
554F98.2Very high96.6Very high0 Ų046 Ų460%025%0.253CS..Hα-helixtrans-76-32.3174.4-76.2-48.7000113.9W494 L497 M501 I550 L551 Q556 R562 L563 I574 F580W494-F554 HydrophobicContact CB-CD1 4.01Å; W494-F554 HydrophobicContact CB-CE1 4.2Å; W494-F554 HydrophobicContact CD2-CE1 4.26Å; W494-F554 AromaticContact CE3-CE1 3.76Å; W494-F554 HydrophobicContact CE3-CE1 3.76Å; W494-F554 HydrophobicContact CE3-CZ 4.23Å; W494-F554 HydrophobicContact CG-CE1 4.48Å; L497-F554 HydrophobicContact CD2-CE1 4.43Å; L497-F554 HydrophobicContact CD2-CE2 3.97Å; L497-F554 HydrophobicContact CD2-CZ 3.83Å; L497-F554 HydrophobicContact CG-CE2 4.36Å; M501-F554 HydrophobicContact SD-CD2 3.83Å; M501-F554 HydrophobicContact SD-CE2 3.74Å; I550-F554 HydrophobicContact CD1-CD2 4.03Å; I550-F554 HydrophobicContact CD1-CE2 3.63Å; I550-F554 HydrophobicContact CD1-CZ 4.18Å; I550-F554 HydrophobicContact CG1-CD2 3.75Å; I550-F554 HydrophobicContact CG1-CE2 3.6Å; I550-F554 PolarHBondContact O-N 3.33Å; L551-F554 PolarHBondContact O-N 3.39Å; F554-Q556 VanDerWaalsContact C-N 3.28Å; F554-Q556 PolarHBondContact O-N 2.8Å; F554-R562 WeakPolarHBondContact O-CD 3.31Å; F554-R562 WeakPolarHBondContact O-CG 3.25Å; F554-R562 PolarHBondContact O-NE 2.89Å; F554-L563 HydrophobicContact CD1-CB 4.08Å; F554-L563 HydrophobicContact CD1-CD2 4.41Å; F554-L563 HydrophobicContact CE1-CB 4.21Å; F554-L563 HydrophobicContact CE1-CD2 4.02Å; F554-L563 HydrophobicContact CE1-CG 4.35Å; F554-L563 HydrophobicContact CZ-CD2 4.09Å; F554-I574 HydrophobicContact CE1-CD1 4.09Å; F554-I574 HydrophobicContact CE1-CG1 4.15Å; F554-I574 HydrophobicContact CZ-CD1 4.41Å; F554-I574 HydrophobicContact CZ-CG1 4.29Å; F554-I574 HydrophobicContact CZ-CG2 4.01Å; F554-F580 HydrophobicContact CE2-CE2 4.41Å
555L97.9Very high96.5Very high12 Ų1245.4 Ų45.46%0.06325%0.249CC..THydrogen-bonded Turntrans-92.926-175.9-61.1168.1000113.3W495 V499 I537 F539 L551 K557W495-L555 HydrophobicContact CD2-CD2 4.27Å; W495-L555 HydrophobicContact CE3-CD2 4.26Å; W495-L555 HydrophobicContact CH2-CD2 4.47Å; W495-L555 HydrophobicContact CZ2-CD2 4.47Å; W495-L555 HydrophobicContact CZ3-CB 4.37Å; W495-L555 HydrophobicContact CZ3-CD2 4.37Å; W495-L555 WeakPolarHBondContact CZ3-O 3.39Å; V499-L555 HydrophobicContact CG2-CD2 3.71Å; I537-L555 HydrophobicContact CD1-CB 3.62Å; I537-L555 HydrophobicContact CD1-CD1 3.68Å; I537-L555 HydrophobicContact CD1-CD2 4.19Å; I537-L555 HydrophobicContact CD1-CG 4.03Å; F539-L555 HydrophobicContact CE1-CD1 4.34Å; L551-L555 HydrophobicContact CB-CD1 4.37Å; L551-L555 WeakPolarHBondContact O-CB 3.36Å; L551-L555 VanDerWaalsContact O-CG 3.24Å; L551-L555 WeakPolarHBondContact O-CG 3.36Å; L551-L555 PolarHBondContact O-N 2.95Å; L555-K557 PolarHBondContact O-N 3.34Å
556Q97Very high96Very high66 Ų6641 Ų4131%0.30823%0.227SC..  trans-66.9127.7167.4-67.4-59.3-2300110.2N552 F554 V558 E561 R562N552-Q556 WeakPolarHBondContact O-CG 3.24Å; N552-Q556 PolarHBondContact O-NE2 2.98Å; F554-Q556 VanDerWaalsContact C-N 3.28Å; F554-Q556 PolarHBondContact O-N 2.8Å; Q556-V558 VanDerWaalsContact C-N 3.28Å; Q556-V558 PolarHBondContact O-N 2.92Å; Q556-E561 HydrophobicContact CB-CB 4.27Å; Q556-E561 HydrophobicContact CG-CB 4.33Å; Q556-E561 WeakPolarHBondContact CG-O 3.39Å; Q556-R562 HydrophobicContact CB-CB 4.14Å; Q556-R562 PolarHBondContact O-NE 3.05Å; Q556-R562 PolarHBondContact O-NH2 3.36Å
557K96.4Very high95.3Very high50 Ų5040 Ų4022%0.21724%0.239CC..SBendtrans-75-19.6-178.5-67-175.8179.61770113.5P480 W495 I532 L533 S534 R535 L555P480-K557 HydrophobicContact CB-CB 4.48Å; P480-K557 HydrophobicContact CG-CB 4.23Å; P480-K557 HydrophobicContact CG-CG 4.15Å; W495-K557 HydrophobicContact CH2-CG 4.27Å; W495-K557 HydrophobicContact CZ3-CG 4.21Å; I532-K557 WeakPolarHBondContact O-CE 3.16Å; I532-K557 PolarHBondContact O-NZ 3.23Å; L533-K557 WeakPolarHBondContact O-CD 3.43Å; L533-K557 PolarHBondContact O-NZ 3.25Å; S534-K557 VanDerWaalsContact C-NZ 3.25Å; S534-K557 PolarHBondContact O-NZ 3.01Å; R535-K557 WeakPolarHBondContact O-CE 3.43Å; R535-K557 PolarHBondContact O-NZ 3Å; L555-K557 PolarHBondContact O-N 3.34Å
558V95.5Very high94.4Very high60 Ų6047.9 Ų47.936%0.36428%0.281SS..SBendtrans-94.4118.3172.9-179.90000107Q556 T560 E561 R562Q556-V558 VanDerWaalsContact C-N 3.28Å; Q556-V558 PolarHBondContact O-N 2.92Å; V558-T560 VanDerWaalsContact C-N 3.29Å; V558-T560 WeakPolarHBondContact CG1-OG1 3.49Å; V558-T560 PolarHBondContact O-N 3.33Å; V558-E561 HydrophobicContact CB-CB 4.3Å; V558-E561 HydrophobicContact CB-CG 4.1Å; V558-E561 HydrophobicContact CG1-CG 4.07Å; V558-E561 PolarHBondContact O-N 3.44Å; V558-E561 VanDerWaalsContact O-N 3.13Å; V558-R562 PolarHBondContact O-N 3.22Å
559P95.5Very high93.6Very high30 Ų3047.9 Ų47.920%0.19528%0.282CS..G310 helixtrans-57.8-39-174.7-27.435.8000113.6E481 E561 R562 C565E481-P559 HydrophobicContact CB-CG 3.92Å; E481-P559 HydrophobicContact CG-CG 4.03Å; P559-E561 PolarHBondContact O-N 2.88Å; P559-R562 WeakPolarHBondContact O-CB 3.44Å; P559-R562 PolarHBondContact O-N 3.03Å; P559-R562 VanDerWaalsContact O-N 3.07Å; P559-C565 WeakPolarHBondContact O-CB 3.15Å
560T94.5Very high93Very high84 Ų8447.6 Ų47.652%0.51528%0.28SS..G310 helixtrans-70.7-15.6-178.554.30000114.3V558V558-T560 VanDerWaalsContact C-N 3.29Å; V558-T560 WeakPolarHBondContact CG1-OG1 3.49Å; V558-T560 PolarHBondContact O-N 3.33Å
561E95Very high92.7Very high125 Ų12548.7 Ų48.758%0.58429%0.285SS*.G310 helixtrans-95.1-9.1174.5-62.3179.4166.700111.8Q556 V558 P559Q556-E561 HydrophobicContact CB-CB 4.27Å; Q556-E561 HydrophobicContact CG-CB 4.33Å; Q556-E561 WeakPolarHBondContact CG-O 3.39Å; V558-E561 HydrophobicContact CB-CB 4.3Å; V558-E561 HydrophobicContact CB-CG 4.1Å; V558-E561 HydrophobicContact CG1-CG 4.07Å; V558-E561 PolarHBondContact O-N 3.44Å; V558-E561 VanDerWaalsContact O-N 3.13Å; P559-E561 PolarHBondContact O-N 2.88Å
562R97Very high92.5Very high3 Ų348.8 Ų48.81%0.01129%0.286CS..SBendtrans-74.5140.6-178.6-165.3175.4-61142.75.8110.4E481 S491 A553 F554 Q556 V558 P559 G564 C565E481-R562 IonicContact OE1-CZ 3.39Å; E481-R562 IonicContact OE1-NH1 2.73Å; E481-R562 PolarHBondContact OE1-NH1 3.36Å; E481-R562 IonicContact OE1-NH2 2.69Å; E481-R562 IonicContact OE2-CZ 3.11Å; E481-R562 IonicContact OE2-NH1 2.84Å; E481-R562 PolarHBondContact OE2-NH1 3.03Å; E481-R562 IonicContact OE2-NH2 3.8Å; E481-R562 PolarHBondContact OE2-NH2 3.12Å; S491-R562 VanDerWaalsContact C-NH1 3.35Å; S491-R562 PolarHBondContact O-NH1 3.26Å; A553-R562 WeakPolarHBondContact O-CA 3.5Å; F554-R562 WeakPolarHBondContact O-CD 3.31Å; F554-R562 WeakPolarHBondContact O-CG 3.25Å; F554-R562 PolarHBondContact O-NE 2.89Å; Q556-R562 HydrophobicContact CB-CB 4.14Å; Q556-R562 PolarHBondContact O-NE 3.05Å; Q556-R562 PolarHBondContact O-NH2 3.36Å; V558-R562 PolarHBondContact O-N 3.22Å; P559-R562 WeakPolarHBondContact O-CB 3.44Å; P559-R562 PolarHBondContact O-N 3.03Å; P559-R562 VanDerWaalsContact O-N 3.07Å; R562-G564 PolarHBondContact O-N 3.18Å; R562-C565 HydrophobicContact CB-CB 4.08Å; R562-C565 VanDerWaalsContact O-CB 3.32Å; R562-C565 WeakPolarHBondContact O-CB 3.42Å; R562-C565 PolarHBondContact O-N 2.51Å
563L96.1Very high92.3Very high28 Ų2848.3 Ų48.315%0.14728%0.283CS..THydrogen-bonded Turntrans-55.4133.9176.6-172.365.3000110.8I550 A553 F554 C565 D573 I574 H577I550-L563 HydrophobicContact CD1-CD2 3.35Å; A553-L563 HydrophobicContact CB-CB 3.82Å; A553-L563 HydrophobicContact CB-CD2 4.06Å; A553-L563 HydrophobicContact CB-CG 4.41Å; A553-L563 PolarHBondContact O-N 2.97Å; F554-L563 HydrophobicContact CD1-CB 4.08Å; F554-L563 HydrophobicContact CD1-CD2 4.41Å; F554-L563 HydrophobicContact CE1-CB 4.21Å; F554-L563 HydrophobicContact CE1-CD2 4.02Å; F554-L563 HydrophobicContact CE1-CG 4.35Å; F554-L563 HydrophobicContact CZ-CD2 4.09Å; L563-C565 VanDerWaalsContact C-N 3.29Å; L563-C565 PolarHBondContact O-N 3.35Å; L563-D573 HydrophobicContact CD1-CB 4.12Å; L563-I574 HydrophobicContact CD2-CG1 4.07Å; L563-I574 HydrophobicContact CG-CG1 3.84Å; L563-H577 HydrophobicContact CD2-CB 4.31Å
564G92.1Very high92.3Very high18 Ų1847.4 Ų47.419%0.18628%0.276CS..THydrogen-bonded Turntrans78.34.8-177.300000115.1R562 S569R562-G564 PolarHBondContact O-N 3.18Å; G564-S569 VanDerWaalsContact CA-OG 3.24Å; G564-S569 WeakPolarHBondContact CA-OG 3.5Å; G564-S569 PolarHBondContact N-OG 2.8Å
565C93.2Very high92.2Very high28 Ų2848.9 Ų48.919%0.18928%0.283CS..  trans-125.7-5.8-170.3-55.90000115.1S491 W494 P559 R562 L563S491-C565 VanDerWaalsContact CA-SG 3.58Å; W494-C565 VanDerWaalsContact CD1-SG 3.57Å; P559-C565 WeakPolarHBondContact O-CB 3.15Å; R562-C565 HydrophobicContact CB-CB 4.08Å; R562-C565 VanDerWaalsContact O-CB 3.32Å; R562-C565 WeakPolarHBondContact O-CB 3.42Å; R562-C565 PolarHBondContact O-N 2.51Å; L563-C565 VanDerWaalsContact C-N 3.29Å; L563-C565 PolarHBondContact O-N 3.35Å
566A86.1Confident92Very high41 Ų4153.8 Ų53.834%0.33931%0.306SS..SBendtrans-67.7154.1175.700000110.1N568 S569A566-N568 PolarHBondContact O-N 3.36Å; A566-S569 WeakPolarHBondContact O-CA 3.24Å; A566-S569 WeakPolarHBondContact O-CB 3.48Å; A566-S569 PolarHBondContact O-N 3.44Å
567P81.2Confident92Very high119 Ų11952 Ų5277%0.77330%0.297SS*.THydrogen-bonded Turntrans-56.5-26.9-175-28.735.8000115.8
568N79.5Confident92.1Very high165 Ų16551.2 Ų51.288%0.88230%0.304SS*.THydrogen-bonded Turntrans-108.811.5176.1-58-25.2000112.1A566A566-N568 PolarHBondContact O-N 3.36Å
569S81.5Confident92.2Very high30 Ų3048.4 Ų48.421%0.2129%0.287CS..  trans-82.7149.2179.3-169.80000109.7G564 A566 D573G564-S569 VanDerWaalsContact CA-OG 3.24Å; G564-S569 WeakPolarHBondContact CA-OG 3.5Å; G564-S569 PolarHBondContact N-OG 2.8Å; A566-S569 WeakPolarHBondContact O-CA 3.24Å; A566-S569 WeakPolarHBondContact O-CB 3.48Å; A566-S569 PolarHBondContact O-N 3.44Å; S569-D573 WeakPolarHBondContact CA-OD2 3.41Å; S569-D573 WeakPolarHBondContact CB-OD2 3.13Å; S569-D573 PolarHBondContact OG-OD2 3.48Å
570S84.3Confident92.3Very high54 Ų5447 Ų4738%0.37828%0.277SS..  trans-130.8173.1172.466.70000110.1G572 D573S570-G572 PolarHBondContact O-N 3.35Å; S570-G572 VanDerWaalsContact O-N 3.09Å; S570-G572 PolarHBondContact OG-N 3.35Å; S570-G572 VanDerWaalsContact OG-N 3.12Å; S570-D573 PolarHBondContact N-OD2 3.5Å; S570-D573 PolarHBondContact O-N 3.24Å
571F93Very high92.4Very high22 Ų2251 Ų5110%0.09629%0.288CS..Hα-helixtrans-52.5-27.2165.7-173.4-116.1000112.6I287 C421 N425 W494 D573 I574 M575 W585I287-F571 HydrophobicContact CD1-CE1 3.91Å; C421-F571 HydrophobicContact CB-CE2 3.76Å; C421-F571 HydrophobicContact CB-CZ 3.94Å; C421-F571 WeakPolarHBondContact O-CE2 3.37Å; N425-F571 HydrophobicContact CB-CD1 4.17Å; N425-F571 HydrophobicContact CB-CD2 3.69Å; N425-F571 HydrophobicContact CB-CE1 4.2Å; N425-F571 HydrophobicContact CB-CE2 3.74Å; N425-F571 HydrophobicContact CB-CG 3.93Å; N425-F571 HydrophobicContact CB-CZ 4Å; N425-F571 VanDerWaalsContact CG-CG 3.47Å; N425-F571 VanDerWaalsContact OD1-CB 3.23Å; N425-F571 WeakPolarHBondContact OD1-CB 3.46Å; N425-F571 WeakPolarHBondContact OD1-CG 3.43Å; W494-F571 AromaticContact CH2-CD2 3.93Å; W494-F571 HydrophobicContact CH2-CD2 3.93Å; W494-F571 AromaticContact CH2-CE2 3.88Å; W494-F571 HydrophobicContact CH2-CE2 3.88Å; W494-F571 HydrophobicContact CZ2-CD2 4.2Å; F571-D573 VanDerWaalsContact C-N 3.26Å; F571-D573 PolarHBondContact O-N 2.66Å; F571-I574 HydrophobicContact CD2-CB 4.41Å; F571-I574 HydrophobicContact CD2-CD1 4.07Å; F571-I574 HydrophobicContact CE2-CG2 4.46Å; F571-I574 WeakPolarHBondContact O-CB 3.36Å; F571-I574 PolarHBondContact O-N 2.99Å; F571-M575 HydrophobicContact CD1-CE 4.45Å; F571-M575 HydrophobicContact CD1-CG 3.96Å; F571-M575 HydrophobicContact CD1-SD 3.97Å; F571-M575 HydrophobicContact CE1-CG 3.76Å; F571-M575 HydrophobicContact CE1-SD 3.8Å; F571-M575 HydrophobicContact CZ-CG 4.3Å; F571-M575 PolarHBondContact O-N 3.17Å; F571-M575 VanDerWaalsContact O-N 3.08Å; F571-W585 HydrophobicContact CZ-CE3 4.43Å; F571-W585 HydrophobicContact CZ-CZ3 4.1Å
572G93.3Very high92.4Very high3 Ų349.4 Ų49.43%0.03129%0.288CS..Hα-helixtrans-53.8-36.2172.400000114.3S570 I574 M575 E576S570-G572 PolarHBondContact O-N 3.35Å; S570-G572 VanDerWaalsContact O-N 3.09Å; S570-G572 PolarHBondContact OG-N 3.35Å; S570-G572 VanDerWaalsContact OG-N 3.12Å; G572-I574 VanDerWaalsContact C-N 3.31Å; G572-I574 PolarHBondContact O-N 2.96Å; G572-M575 PolarHBondContact O-N 3.28Å; G572-E576 WeakPolarHBondContact O-CB 3.3Å; G572-E576 WeakPolarHBondContact O-CG 3.33Å; G572-E576 PolarHBondContact O-N 3.07Å
573D94.3Very high92.4Very high57 Ų5750.9 Ų50.931%0.30530%0.296SS..Hα-helixtrans-68.7-32.8178.4-60.9-46.9000112.2L563 S569 S570 F571 H577L563-D573 HydrophobicContact CD1-CB 4.12Å; S569-D573 WeakPolarHBondContact CA-OD2 3.41Å; S569-D573 WeakPolarHBondContact CB-OD2 3.13Å; S569-D573 PolarHBondContact OG-OD2 3.48Å; S570-D573 PolarHBondContact N-OD2 3.5Å; S570-D573 PolarHBondContact O-N 3.24Å; F571-D573 VanDerWaalsContact C-N 3.26Å; F571-D573 PolarHBondContact O-N 2.66Å; D573-H577 PolarHBondContact O-N 3.2Å
574I96.5Very high92.4Very high0 Ų054.1 Ų54.10%031%0.313CS..Hα-helixtrans-67.3-46.3173.4-64.7168.3000109.1W494 F554 L563 F571 G572 E576 H577 F580W494-I574 HydrophobicContact CD2-CD1 3.76Å; W494-I574 HydrophobicContact CE3-CD1 3.7Å; W494-I574 HydrophobicContact CH2-CD1 3.56Å; W494-I574 HydrophobicContact CZ2-CD1 3.58Å; W494-I574 HydrophobicContact CZ3-CD1 3.61Å; F554-I574 HydrophobicContact CE1-CD1 4.09Å; F554-I574 HydrophobicContact CE1-CG1 4.15Å; F554-I574 HydrophobicContact CZ-CD1 4.41Å; F554-I574 HydrophobicContact CZ-CG1 4.29Å; F554-I574 HydrophobicContact CZ-CG2 4.01Å; L563-I574 HydrophobicContact CD2-CG1 4.07Å; L563-I574 HydrophobicContact CG-CG1 3.84Å; F571-I574 HydrophobicContact CD2-CB 4.41Å; F571-I574 HydrophobicContact CD2-CD1 4.07Å; F571-I574 HydrophobicContact CE2-CG2 4.46Å; F571-I574 WeakPolarHBondContact O-CB 3.36Å; F571-I574 PolarHBondContact O-N 2.99Å; G572-I574 VanDerWaalsContact C-N 3.31Å; G572-I574 PolarHBondContact O-N 2.96Å; I574-E576 VanDerWaalsContact C-N 3.33Å; I574-E576 PolarHBondContact O-N 3.29Å; I574-H577 WeakPolarHBondContact O-CB 3.29Å; I574-H577 PolarHBondContact O-N 3.19Å; I574-F580 HydrophobicContact CG2-CD2 4.32Å; I574-F580 HydrophobicContact CG2-CE2 4.01Å; I574-F580 WeakPolarHBondContact O-CD2 3.4Å
575M95.9Very high92.7Very high31 Ų3154.4 Ų54.415%0.15331%0.309CS..Hα-helixtrans-61.2-39.9179.4-64-164.2-61.800113.2K285 I287 F571 G572 H577 W585K285-M575 WeakPolarHBondContact O-CE 3.34Å; I287-M575 HydrophobicContact CD1-SD 3.64Å; I287-M575 HydrophobicContact CG1-CE 4.2Å; I287-M575 HydrophobicContact CG1-SD 3.56Å; I287-M575 VanDerWaalsContact CG1-SD 3.56Å; F571-M575 HydrophobicContact CD1-CE 4.45Å; F571-M575 HydrophobicContact CD1-CG 3.96Å; F571-M575 HydrophobicContact CD1-SD 3.97Å; F571-M575 HydrophobicContact CE1-CG 3.76Å; F571-M575 HydrophobicContact CE1-SD 3.8Å; F571-M575 HydrophobicContact CZ-CG 4.3Å; F571-M575 PolarHBondContact O-N 3.17Å; F571-M575 VanDerWaalsContact O-N 3.08Å; G572-M575 PolarHBondContact O-N 3.28Å; M575-H577 VanDerWaalsContact C-N 3.31Å; M575-H577 PolarHBondContact O-N 3.46Å; M575-W585 HydrophobicContact CB-CD2 4.49Å; M575-W585 HydrophobicContact CB-CZ2 4.12Å; M575-W585 HydrophobicContact CG-CD2 3.92Å; M575-W585 HydrophobicContact CG-CE3 4.43Å; M575-W585 HydrophobicContact CG-CG 4.26Å; M575-W585 HydrophobicContact CG-CZ2 3.98Å; M575-W585 HydrophobicContact SD-CB 4.35Å; M575-W585 HydrophobicContact SD-CD2 4.1Å; M575-W585 HydrophobicContact SD-CG 3.91Å
576E95.2Very high92.8Very high115 Ų11555.5 Ų55.554%0.53732%0.315SS..Hα-helixtrans-78.7-13.1-178.3-71.6179.2-177.400113.4K285 G572 I574 G578K285-E576 WeakPolarHBondContact CD-OE1 3.32Å; K285-E576 VanDerWaalsContact CE-OE1 3.27Å; K285-E576 WeakPolarHBondContact CE-OE1 3.23Å; K285-E576 IonicContact NZ-OE1 3.2Å; K285-E576 PolarHBondContact NZ-OE1 2.81Å; K285-E576 IonicContact NZ-OE2 3.57Å; K285-E576 PolarHBondContact NZ-OE2 3.49Å; G572-E576 WeakPolarHBondContact O-CB 3.3Å; G572-E576 WeakPolarHBondContact O-CG 3.33Å; G572-E576 PolarHBondContact O-N 3.07Å; I574-E576 VanDerWaalsContact C-N 3.33Å; I574-E576 PolarHBondContact O-N 3.29Å; E576-G578 PolarHBondContact O-N 3.49Å
577H97Very high93.4Very high28 Ų2854.1 Ų54.113%0.1330%0.303CS..SBendtrans-60.4133.4-178.9-173.4-82.3000111S549 I550 L563 D573 I574 M575 F579 F580S549-H577 PolarHBondContact OG-NE2 2.91Å; I550-H577 WeakPolarHBondContact CA-CE1 3.37Å; I550-H577 WeakPolarHBondContact CB-CE1 3.4Å; I550-H577 HydrophobicContact CD1-CB 3.93Å; I550-H577 VanDerWaalsContact CD1-CG 3.45Å; I550-H577 WeakPolarHBondContact CD1-ND1 3.34Å; I550-H577 PolarHBondContact N-CE1 2.9Å; I550-H577 VanDerWaalsContact N-CE1 3.27Å; L563-H577 HydrophobicContact CD2-CB 4.31Å; D573-H577 PolarHBondContact O-N 3.2Å; I574-H577 WeakPolarHBondContact O-CB 3.29Å; I574-H577 PolarHBondContact O-N 3.19Å; M575-H577 VanDerWaalsContact C-N 3.31Å; M575-H577 PolarHBondContact O-N 3.46Å; H577-F579 WeakPolarHBondContact ND1-CB 3.32Å; H577-F579 PolarHBondContact ND1-N 3.34Å; H577-F579 PolarHBondContact O-N 3.04Å; H577-F580 PolarHBondContact O-N 2.84Å
578G96.8Very high94.2Very high35 Ų3548.5 Ų48.536%0.36127%0.267SS..THydrogen-bonded Turntrans-57.6-18.5-170.200000115.9R546 E576R546-G578 WeakPolarHBondContact CD-O 3.39Å; R546-G578 PolarHBondContact NE-O 3.29Å; R546-G578 VanDerWaalsContact NE-O 3.15Å; E576-G578 PolarHBondContact O-N 3.49Å
579F98Very high95Very high0 Ų041.6 Ų41.60%023%0.229CC..THydrogen-bonded Turntrans-66.1-38.9171.1-176.7-103.5000113.4R414 M501 R546 A547 I550 H577R414-F579 HydrophobicContact CB-CE1 3.65Å; R414-F579 HydrophobicContact CB-CZ 3.66Å; R414-F579 WeakPolarHBondContact CD-O 3.31Å; R414-F579 HydrophobicContact CG-CD1 4.08Å; R414-F579 HydrophobicContact CG-CE1 3.69Å; R414-F579 HydrophobicContact CG-CZ 4.12Å; R414-F579 PolarHBondContact NE-O 2.67Å; M501-F579 HydrophobicContact CE-CD1 3.97Å; M501-F579 HydrophobicContact CE-CE1 3.5Å; M501-F579 VanDerWaalsContact CE-CE1 3.5Å; M501-F579 HydrophobicContact CE-CZ 4.11Å; R546-F579 HydrophobicContact CG-CB 4.03Å; R546-F579 HydrophobicContact CG-CD2 4.25Å; A547-F579 HydrophobicContact CB-CD2 4.06Å; A547-F579 HydrophobicContact CB-CE2 3.79Å; I550-F579 HydrophobicContact CB-CB 3.78Å; I550-F579 HydrophobicContact CB-CD1 4.36Å; I550-F579 HydrophobicContact CB-CG 4.1Å; I550-F579 HydrophobicContact CG1-CB 4.34Å; I550-F579 HydrophobicContact CG1-CD1 4.37Å; I550-F579 HydrophobicContact CG2-CB 3.76Å; I550-F579 HydrophobicContact CG2-CD1 3.78Å; I550-F579 HydrophobicContact CG2-CD2 3.9Å; I550-F579 HydrophobicContact CG2-CE1 4.32Å; I550-F579 HydrophobicContact CG2-CE2 4.45Å; I550-F579 HydrophobicContact CG2-CG 3.53Å; H577-F579 WeakPolarHBondContact ND1-CB 3.32Å; H577-F579 PolarHBondContact ND1-N 3.34Å; H577-F579 PolarHBondContact O-N 3.04Å
580F98Very high95.7Very high0 Ų046.4 Ų46.40%024%0.243CC..THydrogen-bonded Turntrans-92.30.3-178.8-64.9-67.5000113.9R414 A417 A418 M501 I550 F554 I574 H577 P582 I583 W585R414-F580 HydrophobicContact CG-CD1 3.87Å; R414-F580 HydrophobicContact CG-CE1 4.24Å; A417-F580 HydrophobicContact CB-CE1 4Å; A417-F580 HydrophobicContact CB-CZ 4.04Å; A418-F580 HydrophobicContact CB-CD1 4.09Å; A418-F580 HydrophobicContact CB-CE1 4.03Å; M501-F580 HydrophobicContact CE-CZ 4.38Å; I550-F580 HydrophobicContact CD1-CD2 4.29Å; I550-F580 HydrophobicContact CD1-CE2 3.82Å; I550-F580 HydrophobicContact CG1-CE2 4.09Å; F554-F580 HydrophobicContact CE2-CE2 4.41Å; I574-F580 HydrophobicContact CG2-CD2 4.32Å; I574-F580 HydrophobicContact CG2-CE2 4.01Å; I574-F580 WeakPolarHBondContact O-CD2 3.4Å; H577-F580 PolarHBondContact O-N 2.84Å; F580-P582 WeakPolarHBondContact O-CD 3.37Å; F580-I583 HydrophobicContact CB-CG1 4.41Å; F580-I583 HydrophobicContact CD1-CG1 4.24Å; F580-I583 VanDerWaalsContact O-CB 3.3Å; F580-I583 WeakPolarHBondContact O-CB 3.08Å; F580-I583 WeakPolarHBondContact O-CG1 3.48Å; F580-I583 PolarHBondContact O-N 3.26Å; F580-W585 HydrophobicContact CB-CH2 4.36Å; F580-W585 HydrophobicContact CB-CZ2 3.56Å; F580-W585 HydrophobicContact CD1-CH2 4.06Å; F580-W585 HydrophobicContact CD1-CZ2 4.09Å; F580-W585 HydrophobicContact CD2-CH2 4.39Å; F580-W585 HydrophobicContact CD2-CZ2 4.22Å; F580-W585 HydrophobicContact CE1-CH2 4.43Å; F580-W585 HydrophobicContact CG-CH2 4.03Å; F580-W585 AromaticContact CG-CZ2 3.72Å; F580-W585 HydrophobicContact CG-CZ2 3.72Å
581K95.6Very high96.3Very high170 Ų17046.5 Ų46.574%0.73924%0.236SC*.THydrogen-bonded Turntrans-43.5-37.3178.4-175176.7-178.11780115.7I583K581-I583 VanDerWaalsContact C-N 3.29Å; K581-I583 PolarHBondContact O-N 3.49Å
582P95.9Very high96.5Very high91 Ų9151 Ų5159%0.59126%0.258SS*.THydrogen-bonded Turntrans-76.8-7.2178.3-16.532.5000115.5F580F580-P582 WeakPolarHBondContact O-CD 3.37Å
583I97.3Very high96.6Very high33 Ų3353 Ų5317%0.16927%0.269CS..  trans-84.1125.4-174.9-59.4-60000110R414 A418 F580 K581 W585 L588R414-I583 HydrophobicContact CG-CD1 4.08Å; R414-I583 HydrophobicContact CG-CG1 4.11Å; A418-I583 HydrophobicContact CB-CD1 4.32Å; A418-I583 HydrophobicContact CB-CG1 4.14Å; A418-I583 HydrophobicContact CB-CG2 4.15Å; F580-I583 HydrophobicContact CB-CG1 4.41Å; F580-I583 HydrophobicContact CD1-CG1 4.24Å; F580-I583 VanDerWaalsContact O-CB 3.3Å; F580-I583 WeakPolarHBondContact O-CB 3.08Å; F580-I583 WeakPolarHBondContact O-CG1 3.48Å; F580-I583 PolarHBondContact O-N 3.26Å; K581-I583 VanDerWaalsContact C-N 3.29Å; K581-I583 PolarHBondContact O-N 3.49Å; I583-W585 HydrophobicContact CG2-CD2 3.86Å; I583-W585 HydrophobicContact CG2-CE3 4.25Å; I583-W585 HydrophobicContact CG2-CG 4.08Å; I583-L588 HydrophobicContact CG2-CB 4.45Å; I583-L588 HydrophobicContact CG2-CD2 3.86Å
584D96.9Very high96.7Very high96 Ų9658.4 Ų58.451%0.51329%0.292SS..  trans-86.2102.8159.3-175.4-27.8000107.9V586 A587 L588D584-V586 VanDerWaalsContact C-N 3.34Å; D584-V586 PolarHBondContact O-N 2.85Å; D584-V586 PolarHBondContact OD1-N 3.14Å; D584-A587 HydrophobicContact CB-CB 3.92Å; D584-A587 VanDerWaalsContact CG-CB 3.49Å; D584-A587 PolarHBondContact OD1-N 3.41Å; D584-L588 VanDerWaalsContact O-CB 3.24Å; D584-L588 WeakPolarHBondContact O-CB 3.19Å; D584-L588 PolarHBondContact O-N 3.35Å
585W97.4Very high96.7Very high24 Ų2459.8 Ų59.89%0.09130%0.302CS..Hα-helixtrans-66.4-34.7-173-66.895.1000113.1I287 A418 C421 I422 F571 M575 F580 I583 E589I287-W585 HydrophobicContact CD1-CB 3.67Å; I287-W585 HydrophobicContact CD1-CG 4.37Å; I287-W585 HydrophobicContact CG1-CB 4.38Å; A418-W585 HydrophobicContact CB-CH2 3.93Å; A418-W585 HydrophobicContact CB-CZ3 3.83Å; A418-W585 WeakPolarHBondContact O-CZ3 3.39Å; C421-W585 HydrophobicContact CB-CH2 4.13Å; C421-W585 HydrophobicContact CB-CZ3 3.93Å; I422-W585 HydrophobicContact CD1-CE3 4.04Å; I422-W585 HydrophobicContact CD1-CZ3 4.49Å; I422-W585 HydrophobicContact CG1-CE3 3.9Å; I422-W585 HydrophobicContact CG1-CZ3 4.12Å; F571-W585 HydrophobicContact CZ-CE3 4.43Å; F571-W585 HydrophobicContact CZ-CZ3 4.1Å; M575-W585 HydrophobicContact CB-CD2 4.49Å; M575-W585 HydrophobicContact CB-CZ2 4.12Å; M575-W585 HydrophobicContact CG-CD2 3.92Å; M575-W585 HydrophobicContact CG-CE3 4.43Å; M575-W585 HydrophobicContact CG-CG 4.26Å; M575-W585 HydrophobicContact CG-CZ2 3.98Å; M575-W585 HydrophobicContact SD-CB 4.35Å; M575-W585 HydrophobicContact SD-CD2 4.1Å; M575-W585 HydrophobicContact SD-CG 3.91Å; F580-W585 HydrophobicContact CB-CH2 4.36Å; F580-W585 HydrophobicContact CB-CZ2 3.56Å; F580-W585 HydrophobicContact CD1-CH2 4.06Å; F580-W585 HydrophobicContact CD1-CZ2 4.09Å; F580-W585 HydrophobicContact CD2-CH2 4.39Å; F580-W585 HydrophobicContact CD2-CZ2 4.22Å; F580-W585 HydrophobicContact CE1-CH2 4.43Å; F580-W585 HydrophobicContact CG-CH2 4.03Å; F580-W585 AromaticContact CG-CZ2 3.72Å; F580-W585 HydrophobicContact CG-CZ2 3.72Å; I583-W585 HydrophobicContact CG2-CD2 3.86Å; I583-W585 HydrophobicContact CG2-CE3 4.25Å; I583-W585 HydrophobicContact CG2-CG 4.08Å; W585-E589 WeakPolarHBondContact O-CB 3.34Å; W585-E589 PolarHBondContact O-N 2.85Å
586V96.3Very high96.7Very high52 Ų5260.3 Ų60.332%0.31531%0.307SS..Hα-helixtrans-73.2-45.6-179.9177.40000110.1I287 D584 L588 E589 R590I287-V586 HydrophobicContact CG2-CG2 4.29Å; D584-V586 VanDerWaalsContact C-N 3.34Å; D584-V586 PolarHBondContact O-N 2.85Å; D584-V586 PolarHBondContact OD1-N 3.14Å; V586-L588 VanDerWaalsContact C-N 3.28Å; V586-L588 PolarHBondContact O-N 3.4Å; V586-E589 PolarHBondContact O-N 2.97Å; V586-R590 VanDerWaalsContact O-CG 3.31Å; V586-R590 WeakPolarHBondContact O-CG 3.46Å; V586-R590 PolarHBondContact O-N 3.14Å; V586-R590 VanDerWaalsContact O-N 3.11Å
587A97.6Very high96.6Very high12 Ų1257.8 Ų57.810%0.09929%0.293CS..Hα-helixtrans-63.4-37.3175.200000111.2D584 R590 K591 E592 V593D584-A587 HydrophobicContact CB-CB 3.92Å; D584-A587 VanDerWaalsContact CG-CB 3.49Å; D584-A587 PolarHBondContact OD1-N 3.41Å; A587-R590 PolarHBondContact O-N 3.49Å; A587-K591 PolarHBondContact O-N 2.9Å; A587-E592 HydrophobicContact CB-CB 4.18Å; A587-E592 WeakPolarHBondContact O-CB 3.33Å; A587-E592 PolarHBondContact O-N 3.11Å; A587-V593 HydrophobicContact CB-CG2 3.89Å
588L97.8Very high96.4Very high0 Ų064.2 Ų64.20%032%0.316CS..Hα-helixtrans-64.2-50.4177.2-174.564.5000111.1F372 F415 A418 E419 I422 I583 D584 V586 R590 K591 V593F372-L588 HydrophobicContact CZ-CG 4.42Å; F372-L588 VanDerWaalsContact CZ-O 3.29Å; F372-L588 WeakPolarHBondContact CZ-O 3.2Å; F415-L588 HydrophobicContact CD2-CD1 4.04Å; F415-L588 HydrophobicContact CE2-CD1 3.51Å; F415-L588 HydrophobicContact CZ-CD1 3.98Å; A418-L588 HydrophobicContact CB-CD2 3.43Å; A418-L588 VanDerWaalsContact CB-CD2 3.43Å; E419-L588 HydrophobicContact CG-CD1 3.85Å; E419-L588 HydrophobicContact CG-CD2 4.01Å; E419-L588 HydrophobicContact CG-CG 4.02Å; I422-L588 HydrophobicContact CD1-CB 4.27Å; I422-L588 HydrophobicContact CD1-CD2 3.88Å; I422-L588 HydrophobicContact CD1-CG 4.03Å; I583-L588 HydrophobicContact CG2-CB 4.45Å; I583-L588 HydrophobicContact CG2-CD2 3.86Å; D584-L588 VanDerWaalsContact O-CB 3.24Å; D584-L588 WeakPolarHBondContact O-CB 3.19Å; D584-L588 PolarHBondContact O-N 3.35Å; V586-L588 VanDerWaalsContact C-N 3.28Å; V586-L588 PolarHBondContact O-N 3.4Å; L588-R590 PolarHBondContact O-N 3.35Å; L588-K591 WeakPolarHBondContact O-CA 3.12Å; L588-K591 PolarHBondContact O-N 3.2Å; L588-V593 HydrophobicContact CB-CG2 4.14Å; L588-V593 HydrophobicContact CD1-CB 3.95Å; L588-V593 HydrophobicContact CD1-CG1 4.4Å; L588-V593 HydrophobicContact CD1-CG2 4.34Å
589E96.7Very high96.2Very high21 Ų2162.8 Ų62.810%0.09830%0.3CS..Hα-helixtrans-57.3-35.3177.2-172.6175.9-159.700112.2I287 P371 I422 W585 V586 K591I287-E589 WeakPolarHBondContact CG2-OE2 3.46Å; P371-E589 HydrophobicContact CG-CG 4.38Å; P371-E589 VanDerWaalsContact CG-O 3.3Å; P371-E589 WeakPolarHBondContact CG-O 3.47Å; I422-E589 HydrophobicContact CD1-CB 4.16Å; I422-E589 HydrophobicContact CG2-CB 4.37Å; I422-E589 HydrophobicContact CG2-CG 4Å; W585-E589 WeakPolarHBondContact O-CB 3.34Å; W585-E589 PolarHBondContact O-N 2.85Å; V586-E589 PolarHBondContact O-N 2.97Å; E589-K591 PolarHBondContact O-N 2.99Å
590R96.6Very high95.8Very high130 Ų13067.6 Ų67.649%0.49133%0.33SS..THydrogen-bonded Turntrans-77.31.4176-67.6175.3-177.7-171.40.6114.7I290 V586 A587 L588 E592I290-R590 HydrophobicContact CD1-CG 3.51Å; V586-R590 VanDerWaalsContact O-CG 3.31Å; V586-R590 WeakPolarHBondContact O-CG 3.46Å; V586-R590 PolarHBondContact O-N 3.14Å; V586-R590 VanDerWaalsContact O-N 3.11Å; A587-R590 PolarHBondContact O-N 3.49Å; L588-R590 PolarHBondContact O-N 3.35Å; R590-E592 HydrophobicContact CB-CG 3.81Å; R590-E592 PolarHBondContact O-N 2.74Å
591K96.6Very high95.1Very high56 Ų5669.5 Ų69.524%0.24334%0.343CS..THydrogen-bonded Turntrans55.931.6-171-62.9-169.8170.1-168.50113.5P371 F372 D445 H449 A587 L588 E589P371-K591 HydrophobicContact CB-CD 4.4Å; P371-K591 HydrophobicContact CB-CG 4.27Å; P371-K591 WeakPolarHBondContact O-CE 3.45Å; P371-K591 PolarHBondContact O-NZ 3.1Å; F372-K591 HydrophobicContact CE1-CG 4.07Å; F372-K591 HydrophobicContact CZ-CG 4.41Å; D445-K591 IonicContact OD2-NZ 3.68Å; D445-K591 PolarHBondContact OD2-NZ 3.27Å; H449-K591 HydrophobicContact CB-CD 4.36Å; A587-K591 PolarHBondContact O-N 2.9Å; L588-K591 WeakPolarHBondContact O-CA 3.12Å; L588-K591 PolarHBondContact O-N 3.2Å; E589-K591 PolarHBondContact O-N 2.99Å
592E97Very high94.3Very high116 Ų11665.1 Ų65.154%0.54235%0.346SS..  trans-86.5-16.8176.3-65171.9178.300112A587 R590A587-E592 HydrophobicContact CB-CB 4.18Å; A587-E592 WeakPolarHBondContact O-CB 3.33Å; A587-E592 PolarHBondContact O-N 3.11Å; R590-E592 HydrophobicContact CB-CG 3.81Å; R590-E592 PolarHBondContact O-N 2.74Å
593V96.2Very high93.8Very high46 Ų4662.4 Ų62.428%0.27934%0.335SS..SBendtrans-86.2122.6174.4-175.80000109.7F415 H449 A587 L588F415-V593 HydrophobicContact CD2-CG1 4.2Å; F415-V593 HydrophobicContact CE2-CB 4.26Å; F415-V593 HydrophobicContact CE2-CG1 3.83Å; H449-V593 PolarHBondContact CE1-O 3.45Å; H449-V593 VanDerWaalsContact CE1-O 3.29Å; A587-V593 HydrophobicContact CB-CG2 3.89Å; L588-V593 HydrophobicContact CB-CG2 4.14Å; L588-V593 HydrophobicContact CD1-CB 3.95Å; L588-V593 HydrophobicContact CD1-CG1 4.4Å; L588-V593 HydrophobicContact CD1-CG2 4.34Å
594H95.2Very high93.3Very high170 Ų17065.2 Ų65.279%0.78735%0.35SS*.PPolyproline II helixtrans-68.8130.6-177.4-71.160000111.8
595P96.5Very high93Very high30 Ų3066.1 Ų66.120%0.19535%0.346CS..PPolyproline II helixtrans-60.9143.5175.3-27.837.3000113.3F415 E447 H449 Y597F415-P595 HydrophobicContact CE1-CB 4.01Å; F415-P595 HydrophobicContact CE1-CG 4.26Å; F415-P595 HydrophobicContact CZ-CB 3.98Å; F415-P595 HydrophobicContact CZ-CG 3.88Å; E447-P595 WeakPolarHBondContact O-CG 3.46Å; H449-P595 WeakPolarHBondContact NE2-CG 3.35Å; P595-Y597 PolarHBondContact O-N 2.95Å
596P95.4Very high92.7Very high41 Ų4166.9 Ų66.927%0.26635%0.352SS..SBendtrans-74.3-15.8-179.631.4-36.2000113.1Y412 F415Y412-P596 HydrophobicContact CD1-CB 3.74Å; Y412-P596 HydrophobicContact CD1-CG 3.79Å; Y412-P596 HydrophobicContact CD2-CB 3.96Å; Y412-P596 HydrophobicContact CD2-CG 4.49Å; Y412-P596 HydrophobicContact CE1-CB 3.69Å; Y412-P596 HydrophobicContact CE1-CG 4.2Å; Y412-P596 WeakPolarHBondContact CE1-O 3.24Å; Y412-P596 HydrophobicContact CE2-CB 3.93Å; Y412-P596 HydrophobicContact CG-CB 3.85Å; Y412-P596 HydrophobicContact CG-CG 3.93Å; Y412-P596 VanDerWaalsContact CZ-O 3.27Å; Y412-P596 PolarHBondContact OH-O 3.22Å; F415-P596 HydrophobicContact CB-CG 4.07Å; F415-P596 VanDerWaalsContact CD1-CD 3.41Å; F415-P596 HydrophobicContact CD1-CG 4.09Å; F415-P596 HydrophobicContact CG-CG 4.09Å
597Y94.1Very high92.5Very high62 Ų6265.8 Ų65.824%0.24334%0.344CS..  trans-139.5139.2172.1166.4-106.9000109.4Y401 M444 G448 P595 P599Y401-Y597 AromaticContact CD2-CD1 3.91Å; Y401-Y597 HydrophobicContact CD2-CD1 3.91Å; Y401-Y597 AromaticContact CD2-CE1 3.57Å; Y401-Y597 HydrophobicContact CD2-CE1 3.57Å; Y401-Y597 HydrophobicContact CE1-CD1 4.45Å; Y401-Y597 AromaticContact CE2-CD1 3.35Å; Y401-Y597 HydrophobicContact CE2-CD1 3.35Å; Y401-Y597 AromaticContact CE2-CD2 3.93Å; Y401-Y597 HydrophobicContact CE2-CD2 3.93Å; Y401-Y597 AromaticContact CE2-CE1 3.36Å; Y401-Y597 HydrophobicContact CE2-CE1 3.36Å; Y401-Y597 AromaticContact CE2-CE2 3.95Å; Y401-Y597 HydrophobicContact CE2-CE2 3.95Å; Y401-Y597 AromaticContact CE2-CG 3.63Å; Y401-Y597 HydrophobicContact CE2-CG 3.63Å; Y401-Y597 AromaticContact CE2-CZ 3.67Å; Y401-Y597 AromaticContact CZ-CD1 3.68Å; Y401-Y597 AromaticContact CZ-CG 3.75Å; Y401-Y597 WeakPolarHBondContact OH-CB 3.14Å; M444-Y597 HydrophobicContact CE-CD1 4.14Å; M444-Y597 HydrophobicContact SD-CD1 3.57Å; M444-Y597 VanDerWaalsContact SD-CD1 3.57Å; M444-Y597 HydrophobicContact SD-CE1 3.81Å; G448-Y597 WeakPolarHBondContact CA-O 3.42Å; P595-Y597 PolarHBondContact O-N 2.95Å; Y597-P599 HydrophobicContact CD1-CG 4.38Å; Y597-P599 HydrophobicContact CE1-CB 4.28Å; Y597-P599 HydrophobicContact CE1-CG 3.8Å
598R93.6Very high92.1Very high163 Ų16369.8 Ų69.862%0.61536%0.363SS*.  trans-118.6120.4173.5-174.5173.8-175.8177.95.4109.3S446S446-R598 VanDerWaalsContact O-CG 3.32Å; S446-R598 WeakPolarHBondContact O-CG 3.46Å; S446-R598 PolarHBondContact O-NE 3.49Å
599P91.4Very high91.6Very high5 Ų570 Ų703%0.03236%0.364CS..  trans-58.9141.9174.8-24.133.7000112.2M444 Y597 C601M444-P599 HydrophobicContact CB-CG 4.49Å; M444-P599 HydrophobicContact CG-CG 3.82Å; M444-P599 HydrophobicContact SD-CG 3.39Å; M444-P599 WeakPolarHBondContact SD-CG 3.36Å; Y597-P599 HydrophobicContact CD1-CG 4.38Å; Y597-P599 HydrophobicContact CE1-CB 4.28Å; Y597-P599 HydrophobicContact CE1-CG 3.8Å; P599-C601 PolarHBondContact O-N 2.98Å
600T88.9Confident91.2Very high102 Ų10270.6 Ų70.663%0.62637%0.366SS*.  trans-78.9110.7170.252.80000108.8H609T600-H609 PolarHBondContact O-NE2 3.46Å
601C83.5Confident90.6Very high40 Ų4068.2 Ų68.227%0.2736%0.363SS..  trans-120.7126.9177.3-60.60000109.8P599 G603 D606P599-C601 PolarHBondContact O-N 2.98Å; C601-G603 VanDerWaalsContact C-N 3.3Å; C601-G603 PolarHBondContact O-N 3.12Å; C601-D606 WeakPolarHBondContact CA-OD2 3.36Å
602G78.8Confident90.1Very high78 Ų7869 Ų6980%0.80437%0.374SS*.SBendtrans-81.7-0.7179.500000115D606G602-D606 PolarHBondContact N-OD2 2.82Å
603G86.3Confident89.4Confident34 Ų3466.4 Ų66.435%0.35137%0.373SS..SBendtrans161.6176.3-179.700000112N394 C601 R605 D606N394-G603 PolarHBondContact ND2-O 3.21Å; C601-G603 VanDerWaalsContact C-N 3.3Å; C601-G603 PolarHBondContact O-N 3.12Å; G603-R605 PolarHBondContact O-N 3.05Å; G603-D606 WeakPolarHBondContact O-CB 3.43Å; G603-D606 PolarHBondContact O-N 3.39Å
604D86.2Confident89Confident91 Ų9166.2 Ų66.249%0.48737%0.368SS..THydrogen-bonded Turntrans-62.4-27.1174.663-21.3000113.1I337 F392I337-D604 HydrophobicContact CG1-CB 4.45Å; I337-D604 WeakPolarHBondContact CG1-OD2 3.06Å; F392-D604 WeakPolarHBondContact CD1-O 3.23Å; F392-D604 WeakPolarHBondContact CE1-O 3.32Å
605R91.4Very high88.8Confident116 Ų11658.9 Ų58.944%0.43834%0.336SS..THydrogen-bonded Turntrans-89-4.9177.6-66.1171.8-164.2-154.5-7114.4Q328 E330 I337 G603Q328-R605 PolarHBondContact NE2-O 2.66Å; Q328-R605 VanDerWaalsContact NE2-O 3.08Å; E330-R605 IonicContact OE1-CZ 3.89Å; E330-R605 IonicContact OE1-NH1 3.03Å; E330-R605 IonicContact OE1-NH2 2.75Å; E330-R605 PolarHBondContact OE1-NH2 3.28Å; I337-R605 HydrophobicContact CD1-CG 3.74Å; I337-R605 HydrophobicContact CG1-CG 3.78Å; G603-R605 PolarHBondContact O-N 3.05Å
606D90.5Very high88.6Confident40 Ų4063.3 Ų63.321%0.21436%0.358CS..  trans-62.3138.6-171.8-168.67.2000112.1C601 G602 G603 I608C601-D606 WeakPolarHBondContact CA-OD2 3.36Å; G602-D606 PolarHBondContact N-OD2 2.82Å; G603-D606 WeakPolarHBondContact O-CB 3.43Å; G603-D606 PolarHBondContact O-N 3.39Å; D606-I608 WeakPolarHBondContact OD1-CB 3.46Å; D606-I608 PolarHBondContact OD1-N 3.39Å; D606-I608 WeakPolarHBondContact OD2-CG2 3.39Å
607L91.6Very high88.3Confident29 Ų2962.8 Ų62.815%0.15235%0.352CS..  trans-124.912.3-178.4-63.7175.4000113K316 I318 F392 H609 F610 T615K316-L607 HydrophobicContact CB-CD1 3.54Å; K316-L607 HydrophobicContact CG-CD1 3.49Å; K316-L607 VanDerWaalsContact CG-CD1 3.49Å; I318-L607 HydrophobicContact CG2-CD1 4.46Å; I318-L607 HydrophobicContact CG2-CD2 3.63Å; F392-L607 HydrophobicContact CE2-CD2 4.26Å; F392-L607 HydrophobicContact CZ-CD2 3.72Å; L607-H609 PolarHBondContact O-N 3.09Å; L607-F610 HydrophobicContact CB-CD2 4.11Å; L607-F610 HydrophobicContact CD2-CD2 3.56Å; L607-F610 HydrophobicContact CD2-CE2 3.71Å; L607-F610 HydrophobicContact CD2-CG 4.01Å; L607-F610 HydrophobicContact CD2-CZ 4.31Å; L607-F610 HydrophobicContact CG-CD2 4.45Å; L607-F610 PolarHBondContact O-N 3.39Å; L607-T615 HydrophobicContact CB-CG2 4.23Å; L607-T615 HydrophobicContact CD1-CG2 4.17Å
608I90.3Very high88.1Confident95 Ų9564.3 Ų64.349%0.48737%0.369SS..THydrogen-bonded Turntrans-57.3-20.8-178.6-164.2171.3000114D606D606-I608 WeakPolarHBondContact OD1-CB 3.46Å; D606-I608 PolarHBondContact OD1-N 3.39Å; D606-I608 WeakPolarHBondContact OD2-CG2 3.39Å
609H87.1Confident88.1Confident6 Ų658.9 Ų58.93%0.02835%0.354CS..THydrogen-bonded Turntrans-101.611.2178.4-52.5-60000115.3F400 R404 T600 L607F400-H609 HydrophobicContact CD1-CB 4.16Å; F400-H609 HydrophobicContact CE1-CB 3.69Å; F400-H609 AromaticContact CE1-ND1 3.77Å; R404-H609 PolarHBondContact NH1-ND1 3.07Å; T600-H609 PolarHBondContact O-NE2 3.46Å; L607-H609 PolarHBondContact O-N 3.09Å
610F87.8Confident88Confident32 Ų3262.7 Ų62.714%0.1438%0.377CS..SBendtrans-105149.6176.1-66.5-99.6000110.5I318 F392 V393 L607 P612 T615I318-F610 HydrophobicContact CB-CD1 3.75Å; I318-F610 HydrophobicContact CB-CE1 3.91Å; I318-F610 HydrophobicContact CD1-CE1 4.2Å; I318-F610 HydrophobicContact CG2-CD1 4.24Å; I318-F610 HydrophobicContact CG2-CE1 4.38Å; F392-F610 HydrophobicContact CE2-CE1 4.15Å; F392-F610 HydrophobicContact CE2-CE2 4.08Å; F392-F610 AromaticContact CE2-CZ 3.47Å; F392-F610 HydrophobicContact CE2-CZ 3.47Å; F392-F610 VanDerWaalsContact CE2-CZ 3.47Å; F392-F610 AromaticContact CZ-CE2 3.74Å; F392-F610 HydrophobicContact CZ-CE2 3.74Å; F392-F610 AromaticContact CZ-CZ 3.62Å; F392-F610 HydrophobicContact CZ-CZ 3.62Å; V393-F610 WeakPolarHBondContact O-CZ 3.01Å; L607-F610 HydrophobicContact CB-CD2 4.11Å; L607-F610 HydrophobicContact CD2-CD2 3.56Å; L607-F610 HydrophobicContact CD2-CE2 3.71Å; L607-F610 HydrophobicContact CD2-CG 4.01Å; L607-F610 HydrophobicContact CD2-CZ 4.31Å; L607-F610 HydrophobicContact CG-CD2 4.45Å; L607-F610 PolarHBondContact O-N 3.39Å; F610-P612 WeakPolarHBondContact O-CD 3.22Å; F610-T615 HydrophobicContact CB-CG2 3.68Å
611D83.8Confident88Confident80 Ų8060 Ų6043%0.42836%0.358SS..  trans-64.1122.7180-171.8-19000110.7A613 F614 T615D611-A613 PolarHBondContact O-N 3.23Å; D611-A613 VanDerWaalsContact O-N 3.1Å; D611-A613 VanDerWaalsContact OD1-CB 3.25Å; D611-A613 WeakPolarHBondContact OD1-CB 3.08Å; D611-A613 PolarHBondContact OD1-N 2.85Å; D611-F614 HydrophobicContact CB-CD2 3.71Å; D611-F614 HydrophobicContact CB-CE2 3.84Å; D611-F614 PolarHBondContact O-N 3.47Å; D611-T615 PolarHBondContact O-N 3.43Å; D611-T615 VanDerWaalsContact O-N 3.16Å
612P86.1Confident87.9Confident72 Ų7261.3 Ų61.347%0.46837%0.365SS..Hα-helixtrans-52-30.7174.3-28.236.6000113.8F610 F614 T615 D616F610-P612 WeakPolarHBondContact O-CD 3.22Å; P612-F614 PolarHBondContact O-N 3.25Å; P612-F614 VanDerWaalsContact O-N 3.07Å; P612-T615 WeakPolarHBondContact CA-OG1 3.34Å; P612-T615 PolarHBondContact O-N 2.98Å; P612-D616 VanDerWaalsContact O-CB 3.23Å; P612-D616 WeakPolarHBondContact O-CB 3.49Å; P612-D616 PolarHBondContact O-N 3.42Å
613A82.9Confident88.2Confident63 Ų6363 Ų6352%0.52136%0.362SS..Hα-helixtrans-57.6-23.6175.700000113.2D611 E617D611-A613 PolarHBondContact O-N 3.23Å; D611-A613 VanDerWaalsContact O-N 3.1Å; D611-A613 VanDerWaalsContact OD1-CB 3.25Å; D611-A613 WeakPolarHBondContact OD1-CB 3.08Å; D611-A613 PolarHBondContact OD1-N 2.85Å; A613-E617 WeakPolarHBondContact O-CG 3.32Å
614F88.1Confident88.1Confident42 Ų4264.3 Ų64.318%0.18436%0.361CS..Hα-helixtrans-98-48171.6-51.6-48000111.8V317 R320 D611 P612 D616 E617V317-F614 WeakPolarHBondContact CB-O 3.44Å; V317-F614 HydrophobicContact CG1-CB 4.41Å; V317-F614 CarbonylContact O-C 3.59Å; V317-F614 VanDerWaalsContact O-C 3.25Å; R320-F614 HydrophobicContact CB-CE1 4.31Å; D611-F614 HydrophobicContact CB-CD2 3.71Å; D611-F614 HydrophobicContact CB-CE2 3.84Å; D611-F614 PolarHBondContact O-N 3.47Å; P612-F614 PolarHBondContact O-N 3.25Å; P612-F614 VanDerWaalsContact O-N 3.07Å; F614-D616 PolarHBondContact O-N 2.95Å; F614-D616 VanDerWaalsContact O-N 3.16Å; F614-E617 VanDerWaalsContact O-CB 3.26Å; F614-E617 WeakPolarHBondContact O-CB 3.45Å; F614-E617 PolarHBondContact O-N 2.95Å
615T90.9Very high87.9Confident16 Ų1664.2 Ų64.210%0.09836%0.36CS..Hα-helixtrans-67.7-19.5-172.663.80000113.9K316 V317 L607 F610 D611 P612K316-T615 WeakPolarHBondContact CD-O 3.43Å; K316-T615 PolarHBondContact NZ-O 3.5Å; V317-T615 VanDerWaalsContact O-CA 3.26Å; V317-T615 WeakPolarHBondContact O-CA 3.16Å; V317-T615 PolarHBondContact O-N 3.38Å; L607-T615 HydrophobicContact CB-CG2 4.23Å; L607-T615 HydrophobicContact CD1-CG2 4.17Å; F610-T615 HydrophobicContact CB-CG2 3.68Å; D611-T615 PolarHBondContact O-N 3.43Å; D611-T615 VanDerWaalsContact O-N 3.16Å; P612-T615 WeakPolarHBondContact CA-OG1 3.34Å; P612-T615 PolarHBondContact O-N 2.98Å
616D91.4Very high87.6Confident123 Ų12363.9 Ų63.966%0.65836%0.364SS*.THydrogen-bonded Turntrans-88.9-7.7174.6-64.4-17.1000112.8P612 F614P612-D616 VanDerWaalsContact O-CB 3.23Å; P612-D616 WeakPolarHBondContact O-CB 3.49Å; P612-D616 PolarHBondContact O-N 3.42Å; F614-D616 PolarHBondContact O-N 2.95Å; F614-D616 VanDerWaalsContact O-N 3.16Å
617E89.9Confident87.2Confident30 Ų3064.2 Ų64.214%0.1437%0.372CS..SBendtrans-64.8146.8175.2-69-170.2-159.900111.8V317 R320 K325 A613 F614 V619V317-E617 HydrophobicContact CB-CB 4.1Å; V317-E617 HydrophobicContact CG1-CB 4.46Å; V317-E617 HydrophobicContact CG2-CB 3.98Å; R320-E617 WeakPolarHBondContact CD-OE1 3.33Å; R320-E617 IonicContact CZ-OE1 2.72Å; R320-E617 IonicContact CZ-OE2 3.72Å; R320-E617 VanDerWaalsContact NE-CD 3.28Å; R320-E617 IonicContact NE-OE1 2.85Å; R320-E617 PolarHBondContact NE-OE1 2.77Å; R320-E617 IonicContact NE-OE2 3.8Å; R320-E617 PolarHBondContact NE-OE2 3.49Å; R320-E617 IonicContact NH2-OE1 3.71Å; R320-E617 IonicContact NH2-OE2 3.61Å; R320-E617 PolarHBondContact NH2-OE2 3.39Å; K325-E617 IonicContact NZ-OE2 2.85Å; A613-E617 WeakPolarHBondContact O-CG 3.32Å; F614-E617 VanDerWaalsContact O-CB 3.26Å; F614-E617 WeakPolarHBondContact O-CB 3.45Å; F614-E617 PolarHBondContact O-N 2.95Å; E617-V619 PolarHBondContact O-N 3.4Å
618P90.8Very high86.5Confident93 Ų9364.8 Ų64.860%0.60438%0.377SS*.  trans-56.8132.3169.7-24.934.5000112K325 V620K325-P618 PolarHBondContact NZ-O 2.84Å; P618-V620 HydrophobicContact CB-CG2 4.09Å; P618-V620 PolarHBondContact O-N 2.82Å
619V93.3Very high86Confident50 Ų5060.7 Ų60.730%0.30336%0.355SS..SBendtrans-80.466.5-179.2-168.20000109.6L314 L315 K316 F327 E617L314-V619 HydrophobicContact CB-CG1 3.66Å; L315-V619 WeakPolarHBondContact O-CG2 3.08Å; K316-V619 HydrophobicContact CD-CG2 4.26Å; F327-V619 HydrophobicContact CD1-CG1 4.27Å; F327-V619 HydrophobicContact CE1-CG1 4.46Å; E617-V619 PolarHBondContact O-N 3.4Å
620V89Confident85.7Confident85 Ų8564.2 Ų64.252%0.51538%0.381SS..  trans-132.8142.7-179.5-600000110.3K325 P618K325-V620 PolarHBondContact NZ-O 3.2Å; P618-V620 HydrophobicContact CB-CG2 4.09Å; P618-V620 PolarHBondContact O-N 2.82Å
621L88Confident85.4Confident45 Ų4571.5 Ų71.524%0.23641%0.407CS..PPolyproline II helixtrans-76.1134.1160.9-64.4175.7000107.7L309 L314 F327 V342 F387L309-L621 HydrophobicContact CD2-CD1 3.8Å; L314-L621 HydrophobicContact CD1-CG 4.27Å; F327-L621 HydrophobicContact CE2-CD2 3.63Å; F327-L621 HydrophobicContact CZ-CD2 3.69Å; V342-L621 HydrophobicContact CG1-CD2 4Å; V342-L621 HydrophobicContact CG2-CD2 4.35Å; F387-L621 HydrophobicContact CE1-CD1 4.29Å; F387-L621 HydrophobicContact CZ-CD1 4.32Å
622T83Confident85.2Confident67 Ų6769.5 Ų69.541%0.41140%0.396SS..PPolyproline II helixtrans-56.3136.6174.1-53.10000109.4R385R385-T622 PolarHBondContact NH2-O 3.32Å
623P83.2Confident84.9Confident113 Ų11370.2 Ų70.273%0.73440%0.396SS*.PPolyproline II helixtrans-57.5152.6176.6-26.335.2000113.2
624D84.7Confident85Confident63 Ų6369.9 Ų69.934%0.33738%0.384SS..PPolyproline II helixtrans-79.7144.8-179.7-70.1-18.4000112.2S384 R385 E626 M629S384-D624 VanDerWaalsContact CB-OD1 3.31Å; S384-D624 WeakPolarHBondContact CB-OD1 3.32Å; S384-D624 WeakPolarHBondContact CB-OD2 3.45Å; S384-D624 PolarHBondContact OG-OD1 2.79Å; S384-D624 VanDerWaalsContact OG-OD1 3.13Å; S384-D624 PolarHBondContact OG-OD2 3.03Å; R385-D624 IonicContact CZ-OD1 3.92Å; R385-D624 IonicContact NH1-OD1 3.8Å; R385-D624 PolarHBondContact NH1-OD1 3.27Å; R385-D624 IonicContact NH1-OD2 2.65Å; R385-D624 PolarHBondContact NH1-OD2 2.91Å; R385-D624 IonicContact NH2-OD1 2.83Å; R385-D624 PolarHBondContact NH2-OD1 3.45Å; D624-E626 PolarHBondContact O-N 3.17Å; D624-M629 HydrophobicContact CB-CG 4.12Å
625N81.5Confident84.8Confident88 Ų8872.1 Ų72.147%0.47140%0.4SS..  trans-9097.6167.9-173.7-27.1000109.3A627 V628 M629N625-A627 PolarHBondContact O-N 3.49Å; N625-A627 VanDerWaalsContact O-N 3.1Å; N625-A627 WeakPolarHBondContact OD1-CB 3.22Å; N625-A627 PolarHBondContact OD1-N 3.24Å; N625-A627 VanDerWaalsContact OD1-N 3.16Å; N625-V628 HydrophobicContact CB-CB 4.27Å; N625-V628 HydrophobicContact CB-CG2 4.01Å; N625-V628 PolarHBondContact O-N 3.02Å; N625-M629 WeakPolarHBondContact O-CG 3.47Å; N625-M629 PolarHBondContact O-N 2.83Å
626E85.1Confident84.3Confident110 Ų11075.8 Ų75.851%0.51442%0.416SS..Hα-helixtrans-53.7-32.3-178-72.6-60.5150.200113.9R383 D624 V628 M629 S630R383-E626 IonicContact CZ-OE2 3.6Å; R383-E626 IonicContact NH1-OE1 3.88Å; R383-E626 IonicContact NH1-OE2 2.8Å; R383-E626 PolarHBondContact NH1-OE2 3.39Å; R383-E626 IonicContact NH2-OE2 3.64Å; D624-E626 PolarHBondContact O-N 3.17Å; E626-V628 VanDerWaalsContact C-N 3.32Å; E626-V628 PolarHBondContact O-N 3.37Å; E626-M629 PolarHBondContact O-N 3.25Å; E626-S630 WeakPolarHBondContact O-CB 3.16Å; E626-S630 PolarHBondContact O-N 3.32Å; E626-S630 PolarHBondContact O-OG 2.84Å
627A82.4Confident84Confident46 Ų4670.4 Ų70.438%0.3839%0.387SS..Hα-helixtrans-67.5-34.3177.100000112N625 S630 R631N625-A627 PolarHBondContact O-N 3.49Å; N625-A627 VanDerWaalsContact O-N 3.1Å; N625-A627 WeakPolarHBondContact OD1-CB 3.22Å; N625-A627 PolarHBondContact OD1-N 3.24Å; N625-A627 VanDerWaalsContact OD1-N 3.16Å; A627-S630 PolarHBondContact O-OG 3.48Å; A627-S630 VanDerWaalsContact O-OG 3.08Å; A627-R631 PolarHBondContact O-NE 3.08Å; A627-R631 PolarHBondContact O-NH1 3.47Å; A627-R631 PolarHBondContact O-NH2 2.84Å
628V78.6Confident83.6Confident42 Ų4274.5 Ų74.526%0.25541%0.41SS..Hα-helixtrans-76.2-44.1174.2-177.10000109.9E346 N625 E626 S630 R631 M632E346-V628 HydrophobicContact CB-CG1 3.97Å; N625-V628 HydrophobicContact CB-CB 4.27Å; N625-V628 HydrophobicContact CB-CG2 4.01Å; N625-V628 PolarHBondContact O-N 3.02Å; E626-V628 VanDerWaalsContact C-N 3.32Å; E626-V628 PolarHBondContact O-N 3.37Å; V628-S630 VanDerWaalsContact C-N 3.25Å; V628-S630 PolarHBondContact O-N 3.15Å; V628-R631 PolarHBondContact O-N 3.06Å; V628-R631 VanDerWaalsContact O-N 3.12Å; V628-M632 PolarHBondContact O-N 3.5Å
629M78.8Confident83.3Confident8 Ų872.7 Ų72.74%0.03941%0.408CS..Hα-helixtrans-66.2-23.2-176.8-62.7-55.795.600114.2E346 R383 S384 D624 N625 E626 M632E346-M629 HydrophobicContact CB-CE 4.08Å; R383-M629 VanDerWaalsContact NH2-C 3.33Å; R383-M629 PolarHBondContact NH2-O 3.08Å; S384-M629 WeakPolarHBondContact CA-SD 3.42Å; S384-M629 WeakPolarHBondContact CB-SD 3.44Å; D624-M629 HydrophobicContact CB-CG 4.12Å; N625-M629 WeakPolarHBondContact O-CG 3.47Å; N625-M629 PolarHBondContact O-N 2.83Å; E626-M629 PolarHBondContact O-N 3.25Å; M629-M632 HydrophobicContact CE-CE 3.66Å; M629-M632 HydrophobicContact CE-SD 4.32Å
630S80.5Confident83Confident80 Ų8070.3 Ų70.356%0.55939%0.394SS*.THydrogen-bonded Turntrans-79.8-19.9175.748.10000113.8E626 A627 V628E626-S630 WeakPolarHBondContact O-CB 3.16Å; E626-S630 PolarHBondContact O-N 3.32Å; E626-S630 PolarHBondContact O-OG 2.84Å; A627-S630 PolarHBondContact O-OG 3.48Å; A627-S630 VanDerWaalsContact O-OG 3.08Å; V628-S630 VanDerWaalsContact C-N 3.25Å; V628-S630 PolarHBondContact O-N 3.15Å
631R80.8Confident83Confident186 Ų18670.2 Ų70.270%0.70239%0.388SS*.THydrogen-bonded Turntrans-100.9-8.8-180-67.1-171.2-66.8-93.2-1.3113.8A627 V628A627-R631 PolarHBondContact O-NE 3.08Å; A627-R631 PolarHBondContact O-NH1 3.47Å; A627-R631 PolarHBondContact O-NH2 2.84Å; V628-R631 PolarHBondContact O-N 3.06Å; V628-R631 VanDerWaalsContact O-N 3.12Å
632M79.7Confident83Confident37 Ų3770.5 Ų70.518%0.18239%0.386CS..SBendtrans-77.4127.9-175.8-177.7174.2-76.900110.5K345 E346 V628 M629 Q634 F637K345-M632 HydrophobicContact CB-CE 3.64Å; K345-M632 HydrophobicContact CB-SD 3.31Å; K345-M632 WeakPolarHBondContact CB-SD 3.48Å; K345-M632 HydrophobicContact CD-SD 3.95Å; K345-M632 HydrophobicContact CG-SD 4.28Å; E346-M632 VanDerWaalsContact CA-CE 3.5Å; E346-M632 HydrophobicContact CB-CE 4.09Å; E346-M632 VanDerWaalsContact N-CE 3.29Å; V628-M632 PolarHBondContact O-N 3.5Å; M629-M632 HydrophobicContact CE-CE 3.66Å; M629-M632 HydrophobicContact CE-SD 4.32Å; M632-Q634 PolarHBondContact O-N 3.39Å; M632-F637 HydrophobicContact CG-CE2 4.47Å; M632-F637 HydrophobicContact SD-CE2 4.37Å
633D81.6Confident83.1Confident87 Ų8769.3 Ų69.347%0.46538%0.379SS..  trans-68.7123.6168-163.6-10.7000109.6T635 E636D633-T635 PolarHBondContact OD1-N 3.03Å; D633-T635 PolarHBondContact OD1-OG1 3.49Å; D633-T635 PolarHBondContact OD2-OG1 2.87Å; D633-E636 HydrophobicContact CB-CG 4.29Å
634Q84.9Confident83.1Confident57 Ų5764 Ų6427%0.26634%0.344SS..SBendtrans-90.6-20.9-179.8-65.1-65.6-54.200112R383 M632 E636 F637R383-Q634 PolarHBondContact O-NE2 2.89Å; R383-Q634 PolarHBondContact O-OE1 3.08Å; M632-Q634 PolarHBondContact O-N 3.39Å; Q634-E636 PolarHBondContact O-N 3.14Å; Q634-F637 PolarHBondContact O-N 3.29Å; Q634-F637 VanDerWaalsContact O-N 3.12Å
635T83.2Confident82.6Confident88 Ų8863.3 Ų63.354%0.5434%0.343SS..G310 helixtrans-69.7-23.3-17459.50000112.5D633 F637 D638D633-T635 PolarHBondContact OD1-N 3.03Å; D633-T635 PolarHBondContact OD1-OG1 3.49Å; D633-T635 PolarHBondContact OD2-OG1 2.87Å; T635-F637 PolarHBondContact O-N 3.31Å; T635-F637 VanDerWaalsContact O-N 3.08Å; T635-D638 WeakPolarHBondContact O-CB 3.42Å; T635-D638 PolarHBondContact O-N 2.87Å; T635-D638 VanDerWaalsContact O-N 3.11Å
636E80.4Confident81.9Confident93 Ų9361 Ų6144%0.43533%0.331SS..G310 helixtrans-59.4-16.4172.3-64.8-63.7166.300113.6I354 D633 Q634I354-E636 HydrophobicContact CD1-CB 3.84Å; I354-E636 HydrophobicContact CD1-CG 3.99Å; I354-E636 WeakPolarHBondContact CD1-OE2 3.07Å; D633-E636 HydrophobicContact CB-CG 4.29Å; Q634-E636 PolarHBondContact O-N 3.14Å
637F84.8Confident80.8Confident11 Ų1157.9 Ų57.95%0.04832%0.317CS..G310 helixtrans-111.46.3-179.8-51.6-73.1000112.9K345 I348 Q381 L386 M632 Q634 T635 G639 F640K345-F637 HydrophobicContact CB-CE2 4.1Å; K345-F637 HydrophobicContact CB-CZ 3.92Å; K345-F637 HydrophobicContact CD-CD2 3.69Å; K345-F637 HydrophobicContact CD-CE2 3.66Å; K345-F637 HydrophobicContact CD-CG 4.16Å; K345-F637 HydrophobicContact CD-CZ 4.12Å; K345-F637 HydrophobicContact CG-CD2 4.32Å; K345-F637 HydrophobicContact CG-CE1 4.19Å; K345-F637 HydrophobicContact CG-CE2 3.96Å; K345-F637 HydrophobicContact CG-CZ 3.88Å; I348-F637 HydrophobicContact CB-CE1 4.49Å; I348-F637 HydrophobicContact CB-CZ 4.4Å; I348-F637 HydrophobicContact CD1-CE1 3.59Å; I348-F637 HydrophobicContact CD1-CZ 4.16Å; I348-F637 HydrophobicContact CG2-CE1 4.23Å; I348-F637 HydrophobicContact CG2-CZ 4.35Å; Q381-F637 PolarHBondContact NE2-O 3.32Å; L386-F637 HydrophobicContact CD1-CD1 3.91Å; L386-F637 HydrophobicContact CD1-CE1 4.08Å; L386-F637 HydrophobicContact CD2-CB 4.35Å; L386-F637 HydrophobicContact CD2-CD1 3.94Å; L386-F637 HydrophobicContact CD2-CG 4.28Å; L386-F637 HydrophobicContact CG-CD1 4.37Å; M632-F637 HydrophobicContact CG-CE2 4.47Å; M632-F637 HydrophobicContact SD-CE2 4.37Å; Q634-F637 PolarHBondContact O-N 3.29Å; Q634-F637 VanDerWaalsContact O-N 3.12Å; T635-F637 PolarHBondContact O-N 3.31Å; T635-F637 VanDerWaalsContact O-N 3.08Å; F637-G639 PolarHBondContact O-N 2.82Å; F637-F640 VanDerWaalsContact O-CB 3.24Å; F637-F640 WeakPolarHBondContact O-CB 3.23Å; F637-F640 PolarHBondContact O-N 2.85Å
638D82.3Confident79.6Confident115 Ų11558.7 Ų58.762%0.61531%0.314SS*.THydrogen-bonded Turntrans-62.1135.8177.2-73.2-16.2000110.4T635 F640T635-D638 WeakPolarHBondContact O-CB 3.42Å; T635-D638 PolarHBondContact O-N 2.87Å; T635-D638 VanDerWaalsContact O-N 3.11Å; D638-F640 VanDerWaalsContact C-N 3.34Å
639G82.7Confident78.2Confident55 Ų5558.7 Ų58.757%0.56732%0.316SS*.THydrogen-bonded Turntrans80.79.6-175.900000114.7K361 F637 E641K361-G639 PolarHBondContact NZ-O 2.77Å; F637-G639 PolarHBondContact O-N 2.82Å; G639-E641 VanDerWaalsContact C-N 3.26Å; G639-E641 PolarHBondContact O-N 2.79Å
640F87.6Confident76.9Confident0 Ų062.6 Ų62.60%034%0.336CS..  trans-65.8-29.6173.9-175.1-100.2000112.6V357 K361 C379 F380 Q381 L386 F388 F637 D638V357-F640 HydrophobicContact CG1-CD2 4.32Å; V357-F640 HydrophobicContact CG1-CE2 3.79Å; K361-F640 HydrophobicContact CD-CD2 4.35Å; K361-F640 HydrophobicContact CD-CE2 4.42Å; K361-F640 VanDerWaalsContact NZ-C 3.33Å; K361-F640 PolarHBondContact NZ-O 2.82Å; C379-F640 HydrophobicContact CB-CD1 4.16Å; C379-F640 HydrophobicContact CB-CE1 3.71Å; C379-F640 HydrophobicContact CB-CZ 4.03Å; C379-F640 VanDerWaalsContact CB-O 3.31Å; C379-F640 WeakPolarHBondContact CB-O 3.43Å; F380-F640 VanDerWaalsContact O-CE1 3.25Å; F380-F640 WeakPolarHBondContact O-CE1 3.35Å; Q381-F640 HydrophobicContact CB-CD1 4.07Å; L386-F640 HydrophobicContact CB-CE1 3.88Å; L386-F640 HydrophobicContact CB-CE2 4.28Å; L386-F640 HydrophobicContact CB-CZ 3.76Å; L386-F640 HydrophobicContact CD1-CD2 4.27Å; L386-F640 HydrophobicContact CD1-CE2 4.03Å; L386-F640 HydrophobicContact CD1-CZ 4.35Å; L386-F640 HydrophobicContact CD2-CD1 3.88Å; L386-F640 HydrophobicContact CD2-CD2 4.21Å; L386-F640 HydrophobicContact CD2-CE1 4.1Å; L386-F640 HydrophobicContact CD2-CE2 4.43Å; L386-F640 HydrophobicContact CD2-CG 3.94Å; L386-F640 HydrophobicContact CD2-CZ 4.38Å; L386-F640 HydrophobicContact CG-CE1 4.49Å; L386-F640 HydrophobicContact CG-CE2 4.49Å; L386-F640 HydrophobicContact CG-CZ 4.39Å; F388-F640 HydrophobicContact CD1-CZ 4.36Å; F388-F640 HydrophobicContact CD2-CZ 4.25Å; F388-F640 HydrophobicContact CE1-CE2 4.05Å; F388-F640 AromaticContact CE1-CZ 3.85Å; F388-F640 HydrophobicContact CE1-CZ 3.85Å; F388-F640 HydrophobicContact CE2-CE2 4.18Å; F388-F640 AromaticContact CE2-CZ 3.74Å; F388-F640 HydrophobicContact CE2-CZ 3.74Å; F388-F640 AromaticContact CZ-CE2 3.62Å; F388-F640 HydrophobicContact CZ-CE2 3.62Å; F388-F640 AromaticContact CZ-CZ 3.53Å; F388-F640 HydrophobicContact CZ-CZ 3.53Å; F637-F640 VanDerWaalsContact O-CB 3.24Å; F637-F640 WeakPolarHBondContact O-CB 3.23Å; F637-F640 PolarHBondContact O-N 2.85Å; D638-F640 VanDerWaalsContact C-N 3.34Å
641E89.4Confident75.5Confident84 Ų8459.3 Ų59.339%0.39331%0.312SS..  trans-58.2137179.6-64.377.5-172.600112.2K361 C379 Q381 G639K361-E641 PolarHBondContact NZ-O 2.92Å; C379-E641 WeakPolarHBondContact O-CA 3.44Å; Q381-E641 VanDerWaalsContact CG-OE1 3.23Å; Q381-E641 WeakPolarHBondContact CG-OE1 3.5Å; Q381-E641 PolarHBondContact NE2-OE1 2.85Å; Q381-E641 PolarHBondContact NE2-OE2 3.26Å; G639-E641 VanDerWaalsContact C-N 3.26Å; G639-E641 PolarHBondContact O-N 2.79Å
642Y88.2Confident73.9Confident51 Ų5157.1 Ų57.120%0.231%0.31CS..EExtended strand (participates in β ladder)trans-154.9145.1176.5169.6-96.3000109.1E365 L376 S378 C379 N644E365-Y642 HydrophobicContact CG-CD1 4.36Å; E365-Y642 HydrophobicContact CG-CD2 4.29Å; E365-Y642 HydrophobicContact CG-CE1 4.03Å; E365-Y642 HydrophobicContact CG-CE2 3.98Å; E365-Y642 HydrophobicContact CG-CG 4.47Å; E365-Y642 WeakPolarHBondContact OE1-CD2 3.49Å; L376-Y642 HydrophobicContact CB-CE1 4.49Å; L376-Y642 HydrophobicContact CD2-CD1 3.4Å; L376-Y642 HydrophobicContact CD2-CE1 3.48Å; L376-Y642 VanDerWaalsContact CD2-CE1 3.48Å; L376-Y642 HydrophobicContact CD2-CG 4.37Å; L376-Y642 HydrophobicContact CG-CD1 4.05Å; L376-Y642 HydrophobicContact CG-CE1 3.97Å; S378-Y642 CarbonylContact C-O 3.54Å; S378-Y642 WeakPolarHBondContact CA-O 3.26Å; S378-Y642 VanDerWaalsContact CB-O 3.23Å; S378-Y642 WeakPolarHBondContact CB-O 3.44Å; C379-Y642 PolarHBondContact N-O 3.08Å; C379-Y642 PolarHBondContact O-N 3.18Å; Y642-N644 HydrophobicContact CE1-CB 3.91Å
643V85.7Confident72.2Confident41 Ų4162.9 Ų62.925%0.24834%0.337CS..EExtended strand (participates in β ladder)trans-135.4130168.5-1750000107.3V307 P645 M648V307-V643 HydrophobicContact CB-CG2 4.42Å; V307-V643 HydrophobicContact CG2-CG2 3.84Å; V643-P645 WeakPolarHBondContact O-CD 2.88Å; V643-M648 HydrophobicContact CB-SD 4.42Å; V643-M648 HydrophobicContact CG1-CG 3.72Å; V643-M648 HydrophobicContact CG1-SD 3.49Å; V643-M648 WeakPolarHBondContact CG1-SD 3.25Å
644N82.5Confident70.1Confident2 Ų266.4 Ų66.41%0.01136%0.361CS..  trans-69.2116.9-179.9179.4-12.3000110.1T368 L376 H377 Y642 L646 L647 M648T368-N644 WeakPolarHBondContact CG2-ND2 3.21Å; L376-N644 WeakPolarHBondContact O-CB 3.27Å; L376-N644 PolarHBondContact O-ND2 3.31Å; H377-N644 WeakPolarHBondContact O-CB 3Å; H377-N644 PolarHBondContact O-N 2.68Å; Y642-N644 HydrophobicContact CE1-CB 3.91Å; N644-L646 VanDerWaalsContact C-N 3.26Å; N644-L646 PolarHBondContact O-N 3.18Å; N644-L646 PolarHBondContact OD1-N 2.89Å; N644-L647 HydrophobicContact CB-CB 4.36Å; N644-L647 HydrophobicContact CB-CD1 4.26Å; N644-L647 VanDerWaalsContact ND2-CD1 3.3Å; N644-L647 WeakPolarHBondContact ND2-CD1 3.31Å; N644-L647 PolarHBondContact O-N 3Å; N644-M648 PolarHBondContact O-N 3.17Å
645P74.7Confident69.3Low48 Ų4866.9 Ų66.931%0.31237%0.366SS..Hα-helixtrans-64.9-27.7-175.324.9-33.6000113.4I297 V643I297-P645 HydrophobicContact CD1-CB 4.37Å; I297-P645 HydrophobicContact CD1-CG 3.6Å; I297-P645 HydrophobicContact CG2-CB 4Å; I297-P645 HydrophobicContact CG2-CG 4.38Å; V643-P645 WeakPolarHBondContact O-CD 2.88Å
646L66.6Low68.6Low41 Ų4165.7 Ų65.722%0.21536%0.356CS..Hα-helixtrans-79.5-34.6-177.2-66.8168.1000112.4I297 N369 N644 S649I297-L646 HydrophobicContact CD1-CG 4.49Å; I297-L646 HydrophobicContact CG1-CD2 4.19Å; N369-L646 WeakPolarHBondContact ND2-CD1 3.39Å; N644-L646 VanDerWaalsContact C-N 3.26Å; N644-L646 PolarHBondContact O-N 3.18Å; N644-L646 PolarHBondContact OD1-N 2.89Å; L646-S649 PolarHBondContact O-N 2.97Å; L646-S649 PolarHBondContact O-OG 3.04Å
647L62.3Low67.9Low44 Ų4464.2 Ų64.223%0.2335%0.352CS..Hα-helixtrans-75.1-31-179.4-72.7172.4000112.3H377 N644 S649 L650 D651H377-L647 HydrophobicContact CB-CD1 4.04Å; N644-L647 HydrophobicContact CB-CB 4.36Å; N644-L647 HydrophobicContact CB-CD1 4.26Å; N644-L647 VanDerWaalsContact ND2-CD1 3.3Å; N644-L647 WeakPolarHBondContact ND2-CD1 3.31Å; N644-L647 PolarHBondContact O-N 3Å; L647-S649 VanDerWaalsContact C-N 3.26Å; L647-S649 PolarHBondContact O-N 2.77Å; L647-L650 HydrophobicContact CD2-CD1 4.27Å; L647-L650 PolarHBondContact O-N 3.03Å; L647-D651 PolarHBondContact O-N 2.65Å; L647-D651 VanDerWaalsContact O-N 3.12Å
648M57Low66.9Low62 Ų6267.4 Ų67.431%0.30537%0.37SS..Hα-helixtrans-58.4-39.9171.9-70.5-168.770.500111.9V643 N644 L650 D651 E652V643-M648 HydrophobicContact CB-SD 4.42Å; V643-M648 HydrophobicContact CG1-CG 3.72Å; V643-M648 HydrophobicContact CG1-SD 3.49Å; V643-M648 WeakPolarHBondContact CG1-SD 3.25Å; N644-M648 PolarHBondContact O-N 3.17Å; M648-L650 VanDerWaalsContact C-N 3.28Å; M648-L650 PolarHBondContact O-N 3.48Å; M648-D651 PolarHBondContact O-N 3.28Å; M648-D651 VanDerWaalsContact O-N 3.15Å; M648-E652 WeakPolarHBondContact O-CG 3.01Å; M648-E652 PolarHBondContact O-N 2.67Å
649S49.4Very low66Low43 Ų4364.4 Ų64.430%0.30136%0.355SS..Hα-helixtrans-66.2-28.7-179.675.90000113.8L646 L647 Q653L646-S649 PolarHBondContact O-N 2.97Å; L646-S649 PolarHBondContact O-OG 3.04Å; L647-S649 VanDerWaalsContact C-N 3.26Å; L647-S649 PolarHBondContact O-N 2.77Å; S649-Q653 VanDerWaalsContact O-CG 3.32Å; S649-Q653 WeakPolarHBondContact O-CG 3.45Å
650L50.7Low64.9Low89 Ų8965 Ų6547%0.46634%0.341SS..Hα-helixtrans-81.1-27.6175.7-74164.3000112R336 L647 M648R336-L650 PolarHBondContact NH2-O 3.47Å; L647-L650 HydrophobicContact CD2-CD1 4.27Å; L647-L650 PolarHBondContact O-N 3.03Å; M648-L650 VanDerWaalsContact C-N 3.28Å; M648-L650 PolarHBondContact O-N 3.48Å
651D51.6Low63.2Low11 Ų1169.6 Ų69.66%0.05937%0.365CS..Hα-helixtrans-79.2-30.8178.1-87.135.5000111.7H331 T334 R336 Y338 L647 M648 Q653H331-D651 IonicContact ND1-OD2 3.19Å; T334-D651 WeakPolarHBondContact CB-OD2 3.22Å; T334-D651 HydrophobicContact CG2-CB 3.73Å; T334-D651 VanDerWaalsContact CG2-OD2 3.27Å; T334-D651 WeakPolarHBondContact CG2-OD2 3.38Å; T334-D651 PolarHBondContact OG1-OD2 3.37Å; R336-D651 WeakPolarHBondContact CD-OD1 3.28Å; R336-D651 IonicContact CZ-OD1 2.92Å; R336-D651 IonicContact NE-OD1 3.94Å; R336-D651 PolarHBondContact NE-OD1 3.33Å; R336-D651 IonicContact NH1-OD1 3.92Å; R336-D651 PolarHBondContact NH1-OD1 3.5Å; R336-D651 IonicContact NH2-OD1 3.75Å; Y338-D651 PolarHBondContact OH-OD2 3.41Å; L647-D651 PolarHBondContact O-N 2.65Å; L647-D651 VanDerWaalsContact O-N 3.12Å; M648-D651 PolarHBondContact O-N 3.28Å; M648-D651 VanDerWaalsContact O-N 3.15Å; D651-Q653 VanDerWaalsContact C-N 3.32Å
652E47.5Very low61.2Low140 Ų14068.5 Ų68.565%0.65436%0.363SS*.THydrogen-bonded Turntrans-78.6-10.8175.5-71.9178.9172.800114.1M648M648-E652 WeakPolarHBondContact O-CG 3.01Å; M648-E652 PolarHBondContact O-N 2.67Å
653Q43.8Very low59Low158 Ų15870 Ų7074%0.73838%0.376SS*.THydrogen-bonded Turntrans-93.82.8179-73.5179.719.200114.3S649 D651S649-Q653 VanDerWaalsContact O-CG 3.32Å; S649-Q653 WeakPolarHBondContact O-CG 3.45Å; D651-Q653 VanDerWaalsContact C-N 3.32Å
654V36Very low56.5Low161 Ų16172.6 Ų72.698%0.97639%0.388SS*.  trans-112.30174.4-176.60000109.2

Retrieved 654 of 654 residues in 129.4 ms (Link to these results)

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