A0A087Y810_POEFO Loading...

DNA-directed RNA polymerase III subunit RPC3

DNA-dependent RNA polymerase catalyzes the transcription of DNA into RNA using the four ribonucleoside triphosphates as substrates. Specific core component of RNA polymerase III which synthesizes small RNAs, such as 5S rRNA and tRNAs.

AlphaFold DB , UniProt , Accession A0A087Y810, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 547 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
1M64Low87.3Confident131 Ų13141.8 Ų41.865%0.64523%0.225SC*.  0132.60-65.9-168.4176.700108.2E5 I6 L29 C82M1-E5 WeakPolarHBondContact CA-OE2 3.49Å; M1-I6 HydrophobicContact CB-CD1 4.26Å; M1-I6 HydrophobicContact CB-CG1 4.27Å; M1-L29 HydrophobicContact CE-CD2 4.18Å; M1-L29 HydrophobicContact SD-CD2 3.99Å; M1-C82 HydrophobicContact CE-CB 3.22Å; M1-C82 HydrophobicContact SD-CB 3.74Å
2T80.4Confident87.7Confident33 Ų3338.6 Ų38.620%0.20221%0.208CC..  trans-83.6154.4177.666.40000109.7Q4 E5 I6 Q451T2-Q4 PolarHBondContact O-N 3.45Å; T2-E5 WeakPolarHBondContact CG2-OE1 3.21Å; T2-E5 PolarHBondContact N-OE2 3.39Å; T2-E5 PolarHBondContact O-N 3.12Å; T2-E5 WeakPolarHBondContact OG1-CG 3.37Å; T2-E5 PolarHBondContact OG1-N 2.81Å; T2-E5 PolarHBondContact OG1-OE1 2.9Å; T2-E5 PolarHBondContact OG1-OE2 3.05Å; T2-I6 PolarHBondContact O-N 3.24Å; T2-Q451 HydrophobicContact CG2-CG 4.2Å; T2-Q451 VanDerWaalsContact CG2-NE2 3.3Å
3A86.4Confident88Confident78 Ų7835.8 Ų35.865%0.64519%0.193SC*.Hα-helixtrans-60.2-29.6177.300000112.4R7A3-R7 PolarHBondContact O-N 3.13Å; A3-R7 VanDerWaalsContact O-N 3.11Å
4Q89.1Confident88.3Confident55 Ų5537.9 Ų37.926%0.25720%0.201SC..Hα-helixtrans-71.6-40.7178.1-58.9-56.3-36.100112T2 I6 R7 L8 K455T2-Q4 PolarHBondContact O-N 3.45Å; Q4-I6 VanDerWaalsContact C-N 3.34Å; Q4-I6 PolarHBondContact O-N 3.24Å; Q4-R7 PolarHBondContact O-N 2.92Å; Q4-L8 WeakPolarHBondContact O-CB 3.38Å; Q4-L8 PolarHBondContact O-N 3.46Å; Q4-K455 HydrophobicContact CG-CB 4.38Å
5E89Confident88.4Confident35 Ų3540 Ų4016%0.16421%0.209CC..Hα-helixtrans-59.1-45173.7-75.1152.6-149.300111.5M1 T2 R7 L8 C9 L86 Y454M1-E5 WeakPolarHBondContact CA-OE2 3.49Å; T2-E5 WeakPolarHBondContact CG2-OE1 3.21Å; T2-E5 PolarHBondContact N-OE2 3.39Å; T2-E5 PolarHBondContact O-N 3.12Å; T2-E5 WeakPolarHBondContact OG1-CG 3.37Å; T2-E5 PolarHBondContact OG1-N 2.81Å; T2-E5 PolarHBondContact OG1-OE1 2.9Å; T2-E5 PolarHBondContact OG1-OE2 3.05Å; E5-R7 PolarHBondContact O-N 3.44Å; E5-L8 PolarHBondContact O-N 3.42Å; E5-C9 WeakPolarHBondContact O-CB 3.35Å; E5-C9 PolarHBondContact O-N 3.14Å; E5-C9 PolarHBondContact O-SG 3.16Å; E5-L86 HydrophobicContact CG-CD1 4.26Å; E5-Y454 HydrophobicContact CG-CD2 3.85Å; E5-Y454 HydrophobicContact CG-CE2 3.84Å
6I90.9Very high88.4Confident24 Ų2443.9 Ų43.912%0.12323%0.226CC..Hα-helixtrans-65.1-41.5-179.8-62.3171.7000110.6M1 T2 Q4 G10 R30M1-I6 HydrophobicContact CB-CD1 4.26Å; M1-I6 HydrophobicContact CB-CG1 4.27Å; T2-I6 PolarHBondContact O-N 3.24Å; Q4-I6 VanDerWaalsContact C-N 3.34Å; Q4-I6 PolarHBondContact O-N 3.24Å; I6-G10 PolarHBondContact O-N 3.33Å; I6-R30 HydrophobicContact CD1-CG 4.11Å; I6-R30 HydrophobicContact CG2-CG 4.11Å
7R92.8Very high88.4Confident83 Ų8344.4 Ų44.431%0.31323%0.226SC..Hα-helixtrans-61.1-48.3175.6-179.4179.8174.7-147.58.5111.1A3 Q4 E5 G10 L11 N459 E462A3-R7 PolarHBondContact O-N 3.13Å; A3-R7 VanDerWaalsContact O-N 3.11Å; Q4-R7 PolarHBondContact O-N 2.92Å; E5-R7 PolarHBondContact O-N 3.44Å; R7-G10 PolarHBondContact O-N 3.08Å; R7-L11 HydrophobicContact CG-CD1 4.47Å; R7-L11 PolarHBondContact O-N 3.35Å; R7-L11 VanDerWaalsContact O-N 3.12Å; R7-N459 PolarHBondContact NH1-OD1 3.48Å; R7-N459 VanDerWaalsContact NH1-OD1 3.09Å; R7-N459 PolarHBondContact NH2-OD1 2.83Å; R7-E462 IonicContact CZ-OE1 3.77Å; R7-E462 IonicContact CZ-OE2 2.89Å; R7-E462 IonicContact NE-OE1 3.6Å; R7-E462 PolarHBondContact NE-OE1 3.29Å; R7-E462 IonicContact NH2-OE1 3.99Å; R7-E462 PolarHBondContact NH2-OE1 3.23Å; R7-E462 IonicContact NH2-OE2 3.73Å; R7-E462 PolarHBondContact NH2-OE2 3.04Å
8L92.3Very high88.5Confident0 Ų043.4 Ų43.40%023%0.229CC..Hα-helixtrans-62.8-44.8179178.956.2000111.7Q4 E5 G10 L11 L12 L86 Y454 V457 A458 I461Q4-L8 WeakPolarHBondContact O-CB 3.38Å; Q4-L8 PolarHBondContact O-N 3.46Å; E5-L8 PolarHBondContact O-N 3.42Å; L8-G10 VanDerWaalsContact C-N 3.28Å; L8-G10 PolarHBondContact O-N 2.92Å; L8-L11 PolarHBondContact O-N 2.92Å; L8-L12 HydrophobicContact CD1-CD1 4.27Å; L8-L12 HydrophobicContact CD1-CG 4.22Å; L8-L12 HydrophobicContact CG-CD1 4.13Å; L8-L12 WeakPolarHBondContact O-CG 3.28Å; L8-L12 PolarHBondContact O-N 3.49Å; L8-L86 HydrophobicContact CB-CD2 4.31Å; L8-L86 HydrophobicContact CD2-CD2 3.63Å; L8-L86 HydrophobicContact CG-CD2 3.88Å; L8-Y454 HydrophobicContact CD2-CD1 3.76Å; L8-Y454 HydrophobicContact CD2-CG 4.34Å; L8-V457 HydrophobicContact CD1-CB 4.24Å; L8-V457 HydrophobicContact CD1-CG1 3.65Å; L8-V457 HydrophobicContact CD2-CB 4.32Å; L8-V457 HydrophobicContact CD2-CG1 4.25Å; L8-A458 HydrophobicContact CB-CB 4.45Å; L8-A458 HydrophobicContact CD1-CB 4.33Å; L8-I461 HydrophobicContact CD1-CD1 3.73Å
9C91.8Very high88.6Confident0 Ų047.4 Ų47.40%025%0.246CC..Hα-helixtrans-59.8-39.1175.6-69.50000112.3E5 L13 L29 C82 I85E5-C9 WeakPolarHBondContact O-CB 3.35Å; E5-C9 PolarHBondContact O-N 3.14Å; E5-C9 PolarHBondContact O-SG 3.16Å; C9-L13 WeakPolarHBondContact O-CB 3.49Å; C9-L13 VanDerWaalsContact O-CG 3.23Å; C9-L13 WeakPolarHBondContact O-CG 3.29Å; C9-L13 PolarHBondContact O-N 3.15Å; C9-L29 HydrophobicContact CB-CD1 3.49Å; C9-L29 VanDerWaalsContact CB-CD1 3.49Å; C9-C82 PolarHBondContact SG-SG 2.9Å; C9-I85 HydrophobicContact CB-CB 4.47Å; C9-I85 HydrophobicContact CB-CG2 3.79Å
10G91.5Very high88.7Confident4 Ų448.4 Ų48.44%0.04125%0.251CS..Hα-helixtrans-59.7-49.6175.100000111.9I6 R7 L8 L12 L13 Q14 E22 T26I6-G10 PolarHBondContact O-N 3.33Å; R7-G10 PolarHBondContact O-N 3.08Å; L8-G10 VanDerWaalsContact C-N 3.28Å; L8-G10 PolarHBondContact O-N 2.92Å; G10-L12 PolarHBondContact O-N 2.62Å; G10-L13 PolarHBondContact O-N 3.46Å; G10-Q14 WeakPolarHBondContact O-CB 3.38Å; G10-Q14 PolarHBondContact O-N 3.07Å; G10-E22 WeakPolarHBondContact O-CG 3.31Å; G10-T26 VanDerWaalsContact CA-CG2 3.49Å
11L92.3Very high88.8Confident17 Ų1746.6 Ų46.69%0.08924%0.242CC..Hα-helixtrans-60.9-44.5178.8-67.3169.5000112.3R7 L8 L13 Q14 E15 A458 I461 E462 L465R7-L11 HydrophobicContact CG-CD1 4.47Å; R7-L11 PolarHBondContact O-N 3.35Å; R7-L11 VanDerWaalsContact O-N 3.12Å; L8-L11 PolarHBondContact O-N 2.92Å; L11-L13 PolarHBondContact O-N 3Å; L11-Q14 WeakPolarHBondContact O-CB 3.26Å; L11-Q14 PolarHBondContact O-N 3.06Å; L11-E15 PolarHBondContact O-N 3.21Å; L11-A458 HydrophobicContact CD1-CB 3.83Å; L11-A458 WeakPolarHBondContact CD1-O 3.23Å; L11-I461 HydrophobicContact CB-CG2 4.18Å; L11-E462 HydrophobicContact CD1-CG 3.8Å; L11-E462 HydrophobicContact CD2-CG 3.92Å; L11-L465 HydrophobicContact CD2-CD1 4.41Å
12L92.1Very high90.2Very high3 Ų342.4 Ų42.42%0.01622%0.221CC..Hα-helixtrans-61.9-43.4176.8-68.7172000111.7L8 G10 Q14 E15 H16 I85 I461L8-L12 HydrophobicContact CD1-CD1 4.27Å; L8-L12 HydrophobicContact CD1-CG 4.22Å; L8-L12 HydrophobicContact CG-CD1 4.13Å; L8-L12 WeakPolarHBondContact O-CG 3.28Å; L8-L12 PolarHBondContact O-N 3.49Å; G10-L12 PolarHBondContact O-N 2.62Å; L12-Q14 VanDerWaalsContact C-N 3.32Å; L12-Q14 PolarHBondContact O-N 2.96Å; L12-E15 PolarHBondContact O-N 3.17Å; L12-H16 PolarHBondContact O-CD2 3.45Å; L12-H16 VanDerWaalsContact O-CD2 3.23Å; L12-H16 PolarHBondContact O-N 2.83Å; L12-H16 VanDerWaalsContact O-N 3.14Å; L12-I85 HydrophobicContact CB-CG2 4.41Å; L12-I461 HydrophobicContact CD2-CD1 3.92Å; L12-I461 HydrophobicContact CG-CD1 4.5Å
13L91.9Very high90.6Very high2 Ų245.8 Ų45.81%0.0123%0.232CC..Hα-helixtrans-65.3-37.3176.5-71176000112C9 G10 L11 F17 G18 E22 L57 I85C9-L13 WeakPolarHBondContact O-CB 3.49Å; C9-L13 VanDerWaalsContact O-CG 3.23Å; C9-L13 WeakPolarHBondContact O-CG 3.29Å; C9-L13 PolarHBondContact O-N 3.15Å; G10-L13 PolarHBondContact O-N 3.46Å; L11-L13 PolarHBondContact O-N 3Å; L13-F17 HydrophobicContact CD2-CD2 3.64Å; L13-F17 HydrophobicContact CD2-CE2 3.87Å; L13-F17 WeakPolarHBondContact O-CA 3.29Å; L13-F17 WeakPolarHBondContact O-CB 3.49Å; L13-F17 PolarHBondContact O-N 2.96Å; L13-G18 PolarHBondContact O-N 3.38Å; L13-E22 HydrophobicContact CB-CB 4.18Å; L13-L57 HydrophobicContact CD2-CD2 3.76Å; L13-I85 HydrophobicContact CD1-CD1 4.23Å; L13-I85 HydrophobicContact CD2-CD1 4.48Å; L13-I85 HydrophobicContact CD2-CG2 4.34Å; L13-I85 HydrophobicContact CG-CG2 4.19Å
14Q91.9Very high90.8Very high66 Ų6642.1 Ų42.131%0.30820%0.202SC..Hα-helixtrans-65.1-43.6178-172.9178.64.600111.6G10 L11 L12 G18 E19 E22G10-Q14 WeakPolarHBondContact O-CB 3.38Å; G10-Q14 PolarHBondContact O-N 3.07Å; L11-Q14 WeakPolarHBondContact O-CB 3.26Å; L11-Q14 PolarHBondContact O-N 3.06Å; L12-Q14 VanDerWaalsContact C-N 3.32Å; L12-Q14 PolarHBondContact O-N 2.96Å; Q14-G18 WeakPolarHBondContact O-CA 3.22Å; Q14-G18 PolarHBondContact O-N 2.97Å; Q14-E19 HydrophobicContact CG-CG 4.29Å; Q14-E22 HydrophobicContact CB-CB 4.08Å; Q14-E22 HydrophobicContact CB-CG 4.09Å
15E89.4Confident90.8Very high69 Ų6939.5 Ų39.532%0.32219%0.19SC..Hα-helixtrans-68.9-43.5-177.4-173.7165.4-15600112.2L11 L12 R464L11-E15 PolarHBondContact O-N 3.21Å; L12-E15 PolarHBondContact O-N 3.17Å; E15-R464 IonicContact OE1-CZ 3.49Å; E15-R464 VanDerWaalsContact OE1-CZ 3.26Å; E15-R464 IonicContact OE1-NE 3.89Å; E15-R464 PolarHBondContact OE1-NE 2.91Å; E15-R464 IonicContact OE1-NH2 3.31Å; E15-R464 PolarHBondContact OE1-NH2 3.48Å; E15-R464 IonicContact OE2-CZ 3.19Å; E15-R464 IonicContact OE2-NH2 3.17Å; E15-R464 PolarHBondContact OE2-NH2 3.33Å
16H88.5Confident90.8Very high102 Ų10238.5 Ų38.547%0.47219%0.186SC..Hα-helixtrans-87.4-35-176.4-69-72.4000114.4L12 V88L12-H16 PolarHBondContact O-CD2 3.45Å; L12-H16 VanDerWaalsContact O-CD2 3.23Å; L12-H16 PolarHBondContact O-N 2.83Å; L12-H16 VanDerWaalsContact O-N 3.14Å; H16-V88 VanDerWaalsContact CD2-CG1 3.49Å; H16-V88 WeakPolarHBondContact CD2-CG1 3.39Å; H16-V88 VanDerWaalsContact NE2-CG1 3.29Å; H16-V88 WeakPolarHBondContact NE2-CG1 3.4Å
17F89.1Confident90.8Very high52 Ų5238.8 Ų38.823%0.22819%0.187CC..Hα-helixtrans-121.8-8.9-171.1-52.2-64.6000114.2L13 V21 V56 H60L13-F17 HydrophobicContact CD2-CD2 3.64Å; L13-F17 HydrophobicContact CD2-CE2 3.87Å; L13-F17 WeakPolarHBondContact O-CA 3.29Å; L13-F17 WeakPolarHBondContact O-CB 3.49Å; L13-F17 PolarHBondContact O-N 2.96Å; F17-V21 HydrophobicContact CB-CB 3.67Å; F17-V21 HydrophobicContact CB-CG1 3.68Å; F17-V21 HydrophobicContact CB-CG2 3.91Å; F17-V21 HydrophobicContact CD2-CG1 4.36Å; F17-V21 HydrophobicContact CG-CG1 4.22Å; F17-V56 HydrophobicContact CB-CG1 4.5Å; F17-V56 HydrophobicContact CD1-CG1 3.55Å; F17-V56 HydrophobicContact CE1-CG1 4.01Å; F17-V56 HydrophobicContact CG-CG1 4.14Å; F17-H60 AromaticContact CE1-CD2 3.38Å; F17-H60 WeakPolarHBondContact CE1-CD2 3.47Å; F17-H60 AromaticContact CE1-CE1 3.68Å; F17-H60 AromaticContact CE1-CG 3.74Å; F17-H60 AromaticContact CE1-ND1 3.93Å; F17-H60 AromaticContact CE1-NE2 3.37Å; F17-H60 WeakPolarHBondContact CE1-NE2 3.31Å; F17-H60 HydrophobicContact CZ-CB 4.07Å; F17-H60 AromaticContact CZ-CD2 3.75Å; F17-H60 AromaticContact CZ-CG 3.64Å; F17-H60 AromaticContact CZ-ND1 3.91Å
18G90.5Very high90.6Very high28 Ų2834.9 Ų34.929%0.28917%0.172SC..  trans89.5172178.800000115.1L13 Q14 M20 V21 E22L13-G18 PolarHBondContact O-N 3.38Å; Q14-G18 WeakPolarHBondContact O-CA 3.22Å; Q14-G18 PolarHBondContact O-N 2.97Å; G18-M20 VanDerWaalsContact C-N 3.31Å; G18-M20 PolarHBondContact O-N 3.44Å; G18-V21 PolarHBondContact O-N 3.22Å; G18-E22 PolarHBondContact O-N 3.06Å; G18-E22 VanDerWaalsContact O-N 3.14Å
19E89.9Confident90.4Very high118 Ų11835.4 Ų35.455%0.55118%0.175SC*.Hα-helixtrans-61.6-32.3-170.2-60.6-178.3177.500114.2Q14 K23Q14-E19 HydrophobicContact CG-CG 4.29Å; E19-K23 WeakPolarHBondContact O-CG 3.31Å; E19-K23 PolarHBondContact O-N 2.94Å; E19-K23 VanDerWaalsContact O-N 3.13Å
20M90.3Very high90.2Very high68 Ų6844.1 Ų44.134%0.33521%0.208SC..Hα-helixtrans-72.5-37.6-177.1-58.1-57.1-72.500111.8G18 V24 L45 L49G18-M20 VanDerWaalsContact C-N 3.31Å; G18-M20 PolarHBondContact O-N 3.44Å; M20-V24 PolarHBondContact O-N 2.87Å; M20-L45 HydrophobicContact CE-CD1 4.04Å; M20-L45 HydrophobicContact CE-CD2 3.31Å; M20-L45 HydrophobicContact CE-CG 4.3Å; M20-L49 HydrophobicContact CE-CD1 4.2Å
21V90.8Very high89.9Confident10 Ų1046.7 Ų46.76%0.06123%0.225CC..Hα-helixtrans-73.5-37177.1179.60000110.2F17 G18 V24 G25 C53 L57F17-V21 HydrophobicContact CB-CB 3.67Å; F17-V21 HydrophobicContact CB-CG1 3.68Å; F17-V21 HydrophobicContact CB-CG2 3.91Å; F17-V21 HydrophobicContact CD2-CG1 4.36Å; F17-V21 HydrophobicContact CG-CG1 4.22Å; G18-V21 PolarHBondContact O-N 3.22Å; V21-V24 PolarHBondContact O-N 3.28Å; V21-G25 PolarHBondContact O-N 3.36Å; V21-C53 HydrophobicContact CG2-CB 4.12Å; V21-L57 HydrophobicContact CG1-CD1 4.14Å; V21-L57 HydrophobicContact CG1-CD2 3.57Å; V21-L57 HydrophobicContact CG1-CG 3.72Å
22E92.8Very high89.6Confident44 Ų4447.3 Ų47.321%0.20624%0.236CC..Hα-helixtrans-57.5-48173176.8-90.215600112.2G10 L13 Q14 G18 V24 G25 T26G10-E22 WeakPolarHBondContact O-CG 3.31Å; L13-E22 HydrophobicContact CB-CB 4.18Å; Q14-E22 HydrophobicContact CB-CB 4.08Å; Q14-E22 HydrophobicContact CB-CG 4.09Å; G18-E22 PolarHBondContact O-N 3.06Å; G18-E22 VanDerWaalsContact O-N 3.14Å; E22-V24 PolarHBondContact O-N 3.04Å; E22-G25 PolarHBondContact O-N 2.92Å; E22-T26 HydrophobicContact CG-CG2 4.12Å; E22-T26 WeakPolarHBondContact O-CB 3.45Å; E22-T26 VanDerWaalsContact O-CG2 3.29Å; E22-T26 WeakPolarHBondContact O-CG2 3.39Å; E22-T26 PolarHBondContact O-N 3.28Å; E22-T26 PolarHBondContact O-OG1 2.86Å; E22-T26 WeakPolarHBondContact OE1-CG2 3.32Å
23K89.6Confident89.3Confident104 Ų10448.9 Ų48.945%0.45225%0.249SC..Hα-helixtrans-59-44.9177.5-73.4175.4-175.6171.90113.1E19 T26 H27E19-K23 WeakPolarHBondContact O-CG 3.31Å; E19-K23 PolarHBondContact O-N 2.94Å; E19-K23 VanDerWaalsContact O-N 3.13Å; K23-T26 PolarHBondContact O-OG1 3.08Å; K23-H27 WeakPolarHBondContact O-CB 3.24Å; K23-H27 PolarHBondContact O-N 3.47Å
24V90.4Very high89Confident0 Ų049.7 Ų49.70%025%0.253CS..Hα-helixtrans-69.7-42.5178.8176.90000110.8M20 V21 E22 H27 L28 I39 T43 L45 C53 L54 L57M20-V24 PolarHBondContact O-N 2.87Å; V21-V24 PolarHBondContact O-N 3.28Å; E22-V24 PolarHBondContact O-N 3.04Å; V24-H27 PolarHBondContact O-N 3.11Å; V24-L28 HydrophobicContact CG1-CD1 4.27Å; V24-L28 WeakPolarHBondContact O-CG 3.36Å; V24-L28 PolarHBondContact O-N 3.02Å; V24-I39 HydrophobicContact CG1-CG2 4.05Å; V24-T43 HydrophobicContact CG2-CG2 4.43Å; V24-L45 HydrophobicContact CG2-CD1 3.76Å; V24-C53 HydrophobicContact CB-CB 4.36Å; V24-C53 HydrophobicContact CG2-CB 4.13Å; V24-L54 HydrophobicContact CG1-CD2 4.14Å; V24-L57 HydrophobicContact CG1-CD1 4.45Å
25G88.9Confident88.9Confident1 Ų148.6 Ų48.61%0.0125%0.249CC..Hα-helixtrans-68.1-46.2-17900000113.3V21 E22 H27 L28 L29V21-G25 PolarHBondContact O-N 3.36Å; E22-G25 PolarHBondContact O-N 2.92Å; G25-H27 VanDerWaalsContact C-N 3.26Å; G25-H27 PolarHBondContact O-N 2.98Å; G25-L28 PolarHBondContact O-N 2.84Å; G25-L29 VanDerWaalsContact O-CG 3.3Å; G25-L29 WeakPolarHBondContact O-CG 3.43Å; G25-L29 PolarHBondContact O-N 2.76Å
26T89.9Confident88.8Confident13 Ų1347.4 Ų47.48%0.0825%0.245CC..Hα-helixtrans-63.7-34.6176.555.60000111.9G10 E22 K23 L29 R30G10-T26 VanDerWaalsContact CA-CG2 3.49Å; E22-T26 HydrophobicContact CG-CG2 4.12Å; E22-T26 WeakPolarHBondContact O-CB 3.45Å; E22-T26 VanDerWaalsContact O-CG2 3.29Å; E22-T26 WeakPolarHBondContact O-CG2 3.39Å; E22-T26 PolarHBondContact O-N 3.28Å; E22-T26 PolarHBondContact O-OG1 2.86Å; E22-T26 WeakPolarHBondContact OE1-CG2 3.32Å; K23-T26 PolarHBondContact O-OG1 3.08Å; T26-L29 PolarHBondContact O-N 3.22Å; T26-R30 WeakPolarHBondContact O-CG 3.32Å; T26-R30 PolarHBondContact O-N 2.82Å; T26-R30 VanDerWaalsContact O-N 3.08Å
27H89.1Confident88.7Confident30 Ų3052.6 Ų52.614%0.13926%0.26CS..Hα-helixtrans-63.4-49.3173.3-175.669.6000112K23 V24 G25 L29 R30 S31 Q34 E42 T43K23-H27 WeakPolarHBondContact O-CB 3.24Å; K23-H27 PolarHBondContact O-N 3.47Å; V24-H27 PolarHBondContact O-N 3.11Å; G25-H27 VanDerWaalsContact C-N 3.26Å; G25-H27 PolarHBondContact O-N 2.98Å; H27-L29 VanDerWaalsContact C-N 3.28Å; H27-L29 PolarHBondContact O-N 2.83Å; H27-R30 PolarHBondContact O-N 3.11Å; H27-R30 VanDerWaalsContact O-N 3.16Å; H27-S31 PolarHBondContact CE1-OG 2.85Å; H27-S31 WeakPolarHBondContact O-CB 3.28Å; H27-S31 PolarHBondContact O-N 3.01Å; H27-S31 PolarHBondContact O-OG 2.98Å; H27-Q34 PolarHBondContact CD2-OE1 3.39Å; H27-Q34 PolarHBondContact NE2-OE1 3.41Å; H27-E42 WeakPolarHBondContact CE1-CB 3.47Å; H27-E42 IonicContact CE1-OE2 3.31Å; H27-E42 PolarHBondContact CE1-OE2 3.46Å; H27-E42 WeakPolarHBondContact NE2-CB 3.43Å; H27-E42 IonicContact NE2-OE2 2.99Å; H27-E42 PolarHBondContact NE2-OE2 3.39Å; H27-T43 HydrophobicContact CB-CG2 4.21Å
28L88.6Confident88.6Confident1 Ų152.2 Ų52.21%0.00526%0.262CS..Hα-helixtrans-60.8-35.2175.1-72.1173000112.8V24 G25 G32 Q34 I39 L54 A80V24-L28 HydrophobicContact CG1-CD1 4.27Å; V24-L28 WeakPolarHBondContact O-CG 3.36Å; V24-L28 PolarHBondContact O-N 3.02Å; G25-L28 PolarHBondContact O-N 2.84Å; L28-G32 WeakPolarHBondContact O-CA 3.37Å; L28-G32 PolarHBondContact O-N 2.84Å; L28-Q34 HydrophobicContact CD2-CB 4.27Å; L28-I39 HydrophobicContact CD2-CD1 3.77Å; L28-I39 HydrophobicContact CD2-CG1 4.06Å; L28-L54 HydrophobicContact CD1-CD2 3.91Å; L28-A80 HydrophobicContact CB-CB 3.68Å
29L88.1Confident88.4Confident11 Ų1150.9 Ų50.96%0.05825%0.248CC..Hα-helixtrans-68.8-33.4176.6-71.9170.7000112.9M1 C9 G25 T26 H27 A80 C82 I85M1-L29 HydrophobicContact CE-CD2 4.18Å; M1-L29 HydrophobicContact SD-CD2 3.99Å; C9-L29 HydrophobicContact CB-CD1 3.49Å; C9-L29 VanDerWaalsContact CB-CD1 3.49Å; G25-L29 VanDerWaalsContact O-CG 3.3Å; G25-L29 WeakPolarHBondContact O-CG 3.43Å; G25-L29 PolarHBondContact O-N 2.76Å; T26-L29 PolarHBondContact O-N 3.22Å; H27-L29 VanDerWaalsContact C-N 3.28Å; H27-L29 PolarHBondContact O-N 2.83Å; L29-A80 HydrophobicContact CD2-CB 3.73Å; L29-A80 HydrophobicContact CG-CB 3.91Å; L29-C82 HydrophobicContact CD2-CB 3.81Å; L29-I85 HydrophobicContact CD1-CD1 4.05Å; L29-I85 HydrophobicContact CD2-CD1 4.31Å; L29-I85 HydrophobicContact CG-CD1 4.5Å
30R88.4Confident88.4Confident183 Ų18346.6 Ų46.669%0.69123%0.23SC*.Hα-helixtrans-81.3-46.2178.6-72177.2-171.71696.7112.5I6 T26 H27I6-R30 HydrophobicContact CD1-CG 4.11Å; I6-R30 HydrophobicContact CG2-CG 4.11Å; T26-R30 WeakPolarHBondContact O-CG 3.32Å; T26-R30 PolarHBondContact O-N 2.82Å; T26-R30 VanDerWaalsContact O-N 3.08Å; H27-R30 PolarHBondContact O-N 3.11Å; H27-R30 VanDerWaalsContact O-N 3.16Å
31S85.9Confident88.4Confident58 Ų5850.1 Ų50.141%0.40625%0.246SC..Hα-helixtrans-89.5-13.5-172.2-55.80000113.6H27H27-S31 PolarHBondContact CE1-OG 2.85Å; H27-S31 WeakPolarHBondContact O-CB 3.28Å; H27-S31 PolarHBondContact O-N 3.01Å; H27-S31 PolarHBondContact O-OG 2.98Å
32G85.3Confident88.2Confident30 Ų3054.3 Ų54.331%0.30927%0.265SS..  trans81-149.1-178.800000113.1L28 Q34L28-G32 WeakPolarHBondContact O-CA 3.37Å; L28-G32 PolarHBondContact O-N 2.84Å; G32-Q34 PolarHBondContact O-N 2.81Å
33A85.8Confident87.8Confident36 Ų3653.4 Ų53.430%0.29826%0.262SS..SBendtrans-71.8124.6-176.900000111.2Y78 R79A33-Y78 VanDerWaalsContact CA-O 3.28Å; A33-Y78 WeakPolarHBondContact CA-O 3.38Å; A33-R79 HydrophobicContact CB-CB 4.21Å
34Q86.3Confident87.8Confident19 Ų1955.4 Ų55.49%0.08928%0.278CS..EExtended strand (participates in β ladder)trans-138.4158.1-175.9-71.8-166.2-1900113.6H27 L28 G32 T38 I39 E42 Y78H27-Q34 PolarHBondContact CD2-OE1 3.39Å; H27-Q34 PolarHBondContact NE2-OE1 3.41Å; L28-Q34 HydrophobicContact CD2-CB 4.27Å; G32-Q34 PolarHBondContact O-N 2.81Å; Q34-T38 HydrophobicContact CG-CG2 4.47Å; Q34-I39 HydrophobicContact CB-CD1 4.38Å; Q34-I39 HydrophobicContact CB-CG1 3.94Å; Q34-E42 PolarHBondContact NE2-OE2 2.96Å; Q34-Y78 PolarHBondContact N-O 3.03Å; Q34-Y78 PolarHBondContact O-N 3.41Å
35N88.9Confident87.7Confident44 Ų4456.8 Ų56.824%0.23529%0.285CS..EExtended strand (participates in β ladder)trans-86154.5175.1-66.8-24.2000111.5R37 T38 I39 P75 T76 E77N35-R37 PolarHBondContact O-N 2.99Å; N35-R37 VanDerWaalsContact O-N 3.14Å; N35-T38 WeakPolarHBondContact O-CB 3.41Å; N35-T38 PolarHBondContact O-N 3.14Å; N35-I39 WeakPolarHBondContact O-CG1 3.41Å; N35-I39 PolarHBondContact O-N 2.97Å; N35-P75 HydrophobicContact CB-CB 4.4Å; N35-P75 VanDerWaalsContact ND2-CG 3.35Å; N35-P75 WeakPolarHBondContact ND2-CG 3.39Å; N35-T76 PolarHBondContact OD1-O 3.42Å; N35-E77 WeakPolarHBondContact OD1-CG 3.44Å
36L87.1Confident87.8Confident44 Ų4459.7 Ų59.723%0.2331%0.305CS..Hα-helixtrans-51.1-41.6177.7-176.367.5000113.4I39 V40 V50 K51 L54 Y78L36-I39 PolarHBondContact O-N 3.33Å; L36-V40 VanDerWaalsContact O-CG2 3.26Å; L36-V40 WeakPolarHBondContact O-CG2 3.24Å; L36-V40 PolarHBondContact O-N 3.07Å; L36-V40 VanDerWaalsContact O-N 3.08Å; L36-V50 HydrophobicContact CD1-CB 4.46Å; L36-V50 HydrophobicContact CD1-CG1 3.68Å; L36-K51 HydrophobicContact CD1-CG 4.43Å; L36-K51 HydrophobicContact CD2-CG 4.31Å; L36-L54 HydrophobicContact CD1-CD1 3.57Å; L36-Y78 HydrophobicContact CB-CE2 4.28Å
37R86.5Confident87.8Confident211 Ų21162.1 Ų62.180%0.79632%0.32SS*.Hα-helixtrans-64.6-41-179.7-68.1-175.2-174.5168.42.1112.3N35 V40 Q41N35-R37 PolarHBondContact O-N 2.99Å; N35-R37 VanDerWaalsContact O-N 3.14Å; R37-V40 PolarHBondContact O-N 2.85Å; R37-Q41 WeakPolarHBondContact O-CG 3.47Å; R37-Q41 PolarHBondContact O-N 3.44Å; R37-Q41 VanDerWaalsContact O-N 3.13Å
38T87.1Confident87.9Confident43 Ų4365.7 Ų65.726%0.26434%0.34SS..Hα-helixtrans-66.5-45.1179-52.40000110.4Q34 N35 V40 Q41 E42Q34-T38 HydrophobicContact CG-CG2 4.47Å; N35-T38 WeakPolarHBondContact O-CB 3.41Å; N35-T38 PolarHBondContact O-N 3.14Å; T38-V40 VanDerWaalsContact C-N 3.3Å; T38-V40 PolarHBondContact O-N 3.27Å; T38-Q41 PolarHBondContact O-N 3.31Å; T38-Q41 VanDerWaalsContact O-N 3.15Å; T38-E42 HydrophobicContact CG2-CG 4.37Å; T38-E42 VanDerWaalsContact CG2-OE1 3.28Å; T38-E42 WeakPolarHBondContact CG2-OE1 3.39Å; T38-E42 WeakPolarHBondContact O-CG 3.39Å; T38-E42 PolarHBondContact O-N 3.33Å
39I87.1Confident88Confident0 Ų069 Ų690%036%0.358CS..Hα-helixtrans-58.4-44.3177.6-60.7163.3000110.5V24 L28 Q34 N35 L36 Q41 E42 T43 V50 L54 Y78V24-I39 HydrophobicContact CG1-CG2 4.05Å; L28-I39 HydrophobicContact CD2-CD1 3.77Å; L28-I39 HydrophobicContact CD2-CG1 4.06Å; Q34-I39 HydrophobicContact CB-CD1 4.38Å; Q34-I39 HydrophobicContact CB-CG1 3.94Å; N35-I39 WeakPolarHBondContact O-CG1 3.41Å; N35-I39 PolarHBondContact O-N 2.97Å; L36-I39 PolarHBondContact O-N 3.33Å; I39-Q41 PolarHBondContact O-N 3.37Å; I39-E42 PolarHBondContact O-N 2.88Å; I39-T43 HydrophobicContact CG2-CG2 4.11Å; I39-T43 VanDerWaalsContact O-CB 3.29Å; I39-T43 WeakPolarHBondContact O-CB 3.29Å; I39-T43 VanDerWaalsContact O-CG2 3.29Å; I39-T43 WeakPolarHBondContact O-CG2 3.5Å; I39-T43 PolarHBondContact O-N 3.47Å; I39-T43 PolarHBondContact O-OG1 2.89Å; I39-V50 HydrophobicContact CB-CG1 4.36Å; I39-V50 HydrophobicContact CG2-CG1 3.67Å; I39-L54 HydrophobicContact CD1-CD1 4.29Å; I39-L54 HydrophobicContact CD1-CD2 4.42Å; I39-Y78 HydrophobicContact CD1-CD2 4.18Å
40V90.3Very high88.1Confident29 Ų2968.5 Ų68.518%0.17636%0.355CS..Hα-helixtrans-62.3-44178.3168.50000111.6L36 R37 T38 N44 V47 V50L36-V40 VanDerWaalsContact O-CG2 3.26Å; L36-V40 WeakPolarHBondContact O-CG2 3.24Å; L36-V40 PolarHBondContact O-N 3.07Å; L36-V40 VanDerWaalsContact O-N 3.08Å; R37-V40 PolarHBondContact O-N 2.85Å; T38-V40 VanDerWaalsContact C-N 3.3Å; T38-V40 PolarHBondContact O-N 3.27Å; V40-N44 PolarHBondContact O-N 2.9Å; V40-N44 VanDerWaalsContact O-N 3.17Å; V40-V47 HydrophobicContact CG1-CG2 3.99Å; V40-V47 HydrophobicContact CG2-CB 4.48Å; V40-V47 HydrophobicContact CG2-CG2 4.09Å; V40-V50 HydrophobicContact CG2-CB 4.08Å; V40-V50 HydrophobicContact CG2-CG1 4.23Å; V40-V50 HydrophobicContact CG2-CG2 3.92Å
41Q88.6Confident88.2Confident142 Ų14265 Ų6566%0.66435%0.345SS*.Hα-helixtrans-65.8-42.5179.6-73.9176.1-14.900112.1R37 T38 I39R37-Q41 WeakPolarHBondContact O-CG 3.47Å; R37-Q41 PolarHBondContact O-N 3.44Å; R37-Q41 VanDerWaalsContact O-N 3.13Å; T38-Q41 PolarHBondContact O-N 3.31Å; T38-Q41 VanDerWaalsContact O-N 3.15Å; I39-Q41 PolarHBondContact O-N 3.37Å
42E86.9Confident88.5Confident97 Ų9768.9 Ų68.945%0.45335%0.354SS..Hα-helixtrans-81.2-29.5-175-67.2179.9-170.500112.6H27 Q34 T38 I39H27-E42 WeakPolarHBondContact CE1-CB 3.47Å; H27-E42 IonicContact CE1-OE2 3.31Å; H27-E42 PolarHBondContact CE1-OE2 3.46Å; H27-E42 WeakPolarHBondContact NE2-CB 3.43Å; H27-E42 IonicContact NE2-OE2 2.99Å; H27-E42 PolarHBondContact NE2-OE2 3.39Å; Q34-E42 PolarHBondContact NE2-OE2 2.96Å; T38-E42 HydrophobicContact CG2-CG 4.37Å; T38-E42 VanDerWaalsContact CG2-OE1 3.28Å; T38-E42 WeakPolarHBondContact CG2-OE1 3.39Å; T38-E42 WeakPolarHBondContact O-CG 3.39Å; T38-E42 PolarHBondContact O-N 3.33Å; I39-E42 PolarHBondContact O-N 2.88Å
43T85.4Confident88.7Confident25 Ų2567.8 Ų67.815%0.15334%0.342CS..Hα-helixtrans-88-12.8178.461.30000114V24 H27 I39 L45V24-T43 HydrophobicContact CG2-CG2 4.43Å; H27-T43 HydrophobicContact CB-CG2 4.21Å; I39-T43 HydrophobicContact CG2-CG2 4.11Å; I39-T43 VanDerWaalsContact O-CB 3.29Å; I39-T43 WeakPolarHBondContact O-CB 3.29Å; I39-T43 VanDerWaalsContact O-CG2 3.29Å; I39-T43 WeakPolarHBondContact O-CG2 3.5Å; I39-T43 PolarHBondContact O-N 3.47Å; I39-T43 PolarHBondContact O-OG1 2.89Å; T43-L45 PolarHBondContact O-N 3.31Å
44N88.2Confident88.8Confident147 Ų14766.3 Ų66.379%0.78633%0.329SS*.THydrogen-bonded Turntrans53.329.8-172.9-66-65.1000113.7V40V40-N44 PolarHBondContact O-N 2.9Å; V40-N44 VanDerWaalsContact O-N 3.17Å
45L88.9Confident89Confident28 Ų2869.5 Ų69.515%0.14735%0.352CS..  trans-100.3157178.9-65.1-178.1000111.6M20 V24 T43 V50M20-L45 HydrophobicContact CE-CD1 4.04Å; M20-L45 HydrophobicContact CE-CD2 3.31Å; M20-L45 HydrophobicContact CE-CG 4.3Å; V24-L45 HydrophobicContact CG2-CD1 3.76Å; T43-L45 PolarHBondContact O-N 3.31Å; L45-V50 HydrophobicContact CB-CG2 3.65Å; L45-V50 HydrophobicContact CD1-CG2 4.41Å
46S90.9Very high89.1Confident62 Ų6269.9 Ų69.943%0.43436%0.356SS..  trans-67145.317473.70000110.9D48 L49 V50S46-D48 PolarHBondContact O-N 2.79Å; S46-D48 VanDerWaalsContact O-N 3.16Å; S46-L49 PolarHBondContact O-N 3.15Å; S46-L49 WeakPolarHBondContact OG-CB 3.28Å; S46-L49 WeakPolarHBondContact OG-CD1 3.47Å; S46-L49 VanDerWaalsContact OG-CG 3.22Å; S46-L49 WeakPolarHBondContact OG-CG 3.45Å; S46-L49 PolarHBondContact OG-N 3.37Å; S46-V50 WeakPolarHBondContact O-CG2 3.48Å; S46-V50 PolarHBondContact O-N 3.3Å
47V90.7Very high89.1Confident64 Ų6468 Ų6839%0.38835%0.346SS..Hα-helixtrans-54.6-38.3-178.7-179.30000111.5V40 V50 K51V40-V47 HydrophobicContact CG1-CG2 3.99Å; V40-V47 HydrophobicContact CG2-CB 4.48Å; V40-V47 HydrophobicContact CG2-CG2 4.09Å; V47-V50 PolarHBondContact O-N 3.47Å; V47-K51 HydrophobicContact CG1-CD 4.27Å; V47-K51 VanDerWaalsContact O-CG 3.31Å; V47-K51 WeakPolarHBondContact O-CG 3.4Å; V47-K51 PolarHBondContact O-N 2.72Å
48D91.3Very high89.2Confident105 Ų10559.6 Ų59.656%0.56132%0.318SS*.Hα-helixtrans-70.5-37-179.3-64-27.9000112.5S46 K52S46-D48 PolarHBondContact O-N 2.79Å; S46-D48 VanDerWaalsContact O-N 3.16Å; D48-K52 WeakPolarHBondContact O-CG 3.37Å; D48-K52 PolarHBondContact O-N 2.84Å
49L90.4Very high89.3Confident71 Ų7160.9 Ų60.937%0.37232%0.321SS..Hα-helixtrans-67.8-42.3174.3-72.3173.4000111M20 S46 K51 K52 C53M20-L49 HydrophobicContact CE-CD1 4.2Å; S46-L49 PolarHBondContact O-N 3.15Å; S46-L49 WeakPolarHBondContact OG-CB 3.28Å; S46-L49 WeakPolarHBondContact OG-CD1 3.47Å; S46-L49 VanDerWaalsContact OG-CG 3.22Å; S46-L49 WeakPolarHBondContact OG-CG 3.45Å; S46-L49 PolarHBondContact OG-N 3.37Å; L49-K51 PolarHBondContact O-N 3.18Å; L49-K52 PolarHBondContact O-N 2.84Å; L49-C53 PolarHBondContact O-N 2.78Å; L49-C53 PolarHBondContact O-SG 2.9Å
50V89.9Confident89.3Confident0 Ų063 Ų630%033%0.331CS..Hα-helixtrans-62.1-43.4176.6177.70000110.8L36 I39 V40 L45 S46 V47 K52 C53 L54L36-V50 HydrophobicContact CD1-CB 4.46Å; L36-V50 HydrophobicContact CD1-CG1 3.68Å; I39-V50 HydrophobicContact CB-CG1 4.36Å; I39-V50 HydrophobicContact CG2-CG1 3.67Å; V40-V50 HydrophobicContact CG2-CB 4.08Å; V40-V50 HydrophobicContact CG2-CG1 4.23Å; V40-V50 HydrophobicContact CG2-CG2 3.92Å; L45-V50 HydrophobicContact CB-CG2 3.65Å; L45-V50 HydrophobicContact CD1-CG2 4.41Å; S46-V50 WeakPolarHBondContact O-CG2 3.48Å; S46-V50 PolarHBondContact O-N 3.3Å; V47-V50 PolarHBondContact O-N 3.47Å; V50-K52 PolarHBondContact O-N 3.17Å; V50-C53 PolarHBondContact O-N 3.03Å; V50-L54 HydrophobicContact CG1-CD1 3.88Å; V50-L54 HydrophobicContact CG1-CG 4.24Å; V50-L54 WeakPolarHBondContact O-CB 3.31Å; V50-L54 VanDerWaalsContact O-CG 3.31Å; V50-L54 WeakPolarHBondContact O-CG 3.24Å; V50-L54 PolarHBondContact O-N 2.69Å
51K90.4Very high88.8Confident110 Ų11061.8 Ų61.848%0.47833%0.325SS..Hα-helixtrans-58.8-43.9174.3-75.9172.3179.9172.20112.3L36 V47 L49 C55L36-K51 HydrophobicContact CD1-CG 4.43Å; L36-K51 HydrophobicContact CD2-CG 4.31Å; V47-K51 HydrophobicContact CG1-CD 4.27Å; V47-K51 VanDerWaalsContact O-CG 3.31Å; V47-K51 WeakPolarHBondContact O-CG 3.4Å; V47-K51 PolarHBondContact O-N 2.72Å; L49-K51 PolarHBondContact O-N 3.18Å; K51-C55 WeakPolarHBondContact O-CB 3.38Å; K51-C55 PolarHBondContact O-N 2.91Å
52K92.1Very high88.5Confident139 Ų13955.4 Ų55.460%0.60430%0.296SS*.Hα-helixtrans-62.9-45.4176-72.1173.4-176.6-178.80111.6D48 L49 V50 C55 V56D48-K52 WeakPolarHBondContact O-CG 3.37Å; D48-K52 PolarHBondContact O-N 2.84Å; L49-K52 PolarHBondContact O-N 2.84Å; V50-K52 PolarHBondContact O-N 3.17Å; K52-C55 WeakPolarHBondContact O-CB 3.19Å; K52-C55 PolarHBondContact O-N 2.75Å; K52-V56 WeakPolarHBondContact O-CG2 3.43Å; K52-V56 PolarHBondContact O-N 3.28Å
53C90Very high88.4Confident8 Ų851 Ų515%0.05428%0.276CS..Hα-helixtrans-62.9-45178.7-63.60000111.7V21 V24 L49 V50 C55 V56 L57V21-C53 HydrophobicContact CG2-CB 4.12Å; V24-C53 HydrophobicContact CB-CB 4.36Å; V24-C53 HydrophobicContact CG2-CB 4.13Å; L49-C53 PolarHBondContact O-N 2.78Å; L49-C53 PolarHBondContact O-SG 2.9Å; V50-C53 PolarHBondContact O-N 3.03Å; C53-C55 VanDerWaalsContact C-N 3.32Å; C53-C55 PolarHBondContact O-N 3.42Å; C53-V56 PolarHBondContact O-N 2.78Å; C53-L57 WeakPolarHBondContact O-CG 3.3Å; C53-L57 PolarHBondContact O-N 3.19Å
54L88.3Confident88.2Confident4 Ų452.4 Ų52.42%0.02129%0.286CS..Hα-helixtrans-63.9-38.2176.2-70.5173.7000111.9V24 L28 L36 I39 V50 L57 V58 Y78V24-L54 HydrophobicContact CG1-CD2 4.14Å; L28-L54 HydrophobicContact CD1-CD2 3.91Å; L36-L54 HydrophobicContact CD1-CD1 3.57Å; I39-L54 HydrophobicContact CD1-CD1 4.29Å; I39-L54 HydrophobicContact CD1-CD2 4.42Å; V50-L54 HydrophobicContact CG1-CD1 3.88Å; V50-L54 HydrophobicContact CG1-CG 4.24Å; V50-L54 WeakPolarHBondContact O-CB 3.31Å; V50-L54 VanDerWaalsContact O-CG 3.31Å; V50-L54 WeakPolarHBondContact O-CG 3.24Å; V50-L54 PolarHBondContact O-N 2.69Å; L54-L57 PolarHBondContact O-N 3.16Å; L54-V58 WeakPolarHBondContact O-CB 3.43Å; L54-V58 VanDerWaalsContact O-CG2 3.24Å; L54-V58 WeakPolarHBondContact O-CG2 2.94Å; L54-V58 PolarHBondContact O-N 2.82Å; L54-Y78 HydrophobicContact CB-CE1 4.47Å; L54-Y78 HydrophobicContact CD1-CD1 4.25Å; L54-Y78 HydrophobicContact CD1-CD2 4.12Å; L54-Y78 HydrophobicContact CD1-CE1 4.13Å; L54-Y78 HydrophobicContact CD1-CE2 4Å; L54-Y78 HydrophobicContact CD1-CG 4.24Å; L54-Y78 HydrophobicContact CD2-CD1 4.07Å; L54-Y78 HydrophobicContact CD2-CG 4.15Å
55C89.8Confident88Confident86 Ų8649.4 Ų49.458%0.58127%0.266SS*.Hα-helixtrans-59.5-47.5175.3-170.40000111.3K51 K52 C53 V58 Q59K51-C55 WeakPolarHBondContact O-CB 3.38Å; K51-C55 PolarHBondContact O-N 2.91Å; K52-C55 WeakPolarHBondContact O-CB 3.19Å; K52-C55 PolarHBondContact O-N 2.75Å; C53-C55 VanDerWaalsContact C-N 3.32Å; C53-C55 PolarHBondContact O-N 3.42Å; C55-V58 PolarHBondContact O-N 3.23Å; C55-Q59 VanDerWaalsContact O-CB 3.29Å; C55-Q59 WeakPolarHBondContact O-CB 3.29Å; C55-Q59 PolarHBondContact O-N 3.34Å
56V90.3Very high87.5Confident53 Ų5351.9 Ų51.932%0.32128%0.283SS..Hα-helixtrans-60.5-48.6175.6175.80000110.7F17 K52 C53 V58 Q59 H60F17-V56 HydrophobicContact CB-CG1 4.5Å; F17-V56 HydrophobicContact CD1-CG1 3.55Å; F17-V56 HydrophobicContact CE1-CG1 4.01Å; F17-V56 HydrophobicContact CG-CG1 4.14Å; K52-V56 WeakPolarHBondContact O-CG2 3.43Å; K52-V56 PolarHBondContact O-N 3.28Å; C53-V56 PolarHBondContact O-N 2.78Å; V56-V58 VanDerWaalsContact C-N 3.31Å; V56-V58 PolarHBondContact O-N 2.99Å; V56-Q59 WeakPolarHBondContact O-CB 3.37Å; V56-Q59 PolarHBondContact O-N 3.08Å; V56-H60 PolarHBondContact O-CD2 2.82Å; V56-H60 VanDerWaalsContact O-CD2 3.26Å; V56-H60 PolarHBondContact O-N 3.41Å; V56-H60 VanDerWaalsContact O-N 3.16Å
57L88.3Confident86.6Confident3 Ų353.1 Ų53.12%0.01629%0.291CS..Hα-helixtrans-62.2-36.5-179.6-70.5170.1000113.2L13 V21 V24 C53 L54 G61 A62 C63L13-L57 HydrophobicContact CD2-CD2 3.76Å; V21-L57 HydrophobicContact CG1-CD1 4.14Å; V21-L57 HydrophobicContact CG1-CD2 3.57Å; V21-L57 HydrophobicContact CG1-CG 3.72Å; V24-L57 HydrophobicContact CG1-CD1 4.45Å; C53-L57 WeakPolarHBondContact O-CG 3.3Å; C53-L57 PolarHBondContact O-N 3.19Å; L54-L57 PolarHBondContact O-N 3.16Å; L57-G61 PolarHBondContact O-N 3.27Å; L57-A62 HydrophobicContact CD2-CB 4.04Å; L57-A62 PolarHBondContact O-N 2.83Å; L57-C63 HydrophobicContact CB-CB 3.77Å; L57-C63 PolarHBondContact O-N 3.37Å
58V89.3Confident85.3Confident35 Ų3550.5 Ų50.521%0.21228%0.277CS..Hα-helixtrans-71.7-40.6175.8171.60000110.7L54 C55 V56 H60 G61 C63 F65 H118L54-V58 WeakPolarHBondContact O-CB 3.43Å; L54-V58 VanDerWaalsContact O-CG2 3.24Å; L54-V58 WeakPolarHBondContact O-CG2 2.94Å; L54-V58 PolarHBondContact O-N 2.82Å; C55-V58 PolarHBondContact O-N 3.23Å; V56-V58 VanDerWaalsContact C-N 3.31Å; V56-V58 PolarHBondContact O-N 2.99Å; V58-H60 VanDerWaalsContact C-N 3.27Å; V58-H60 PolarHBondContact O-N 2.94Å; V58-G61 PolarHBondContact O-N 3.25Å; V58-C63 HydrophobicContact CG2-CB 4.11Å; V58-F65 HydrophobicContact CG1-CD1 3.95Å; V58-F65 HydrophobicContact CG1-CE1 3.79Å; V58-F65 HydrophobicContact CG2-CD1 4.11Å; V58-H118 PolarHBondContact O-CD2 3.05Å; V58-H118 PolarHBondContact O-NE2 3.38Å
59Q88.6Confident83.7Confident70 Ų7056.6 Ų56.633%0.32729%0.293SS..Hα-helixtrans-58.5-37.8178.8178.960.224.600112.7C55 V56 G61 R116 G117 H118C55-Q59 VanDerWaalsContact O-CB 3.29Å; C55-Q59 WeakPolarHBondContact O-CB 3.29Å; C55-Q59 PolarHBondContact O-N 3.34Å; V56-Q59 WeakPolarHBondContact O-CB 3.37Å; V56-Q59 PolarHBondContact O-N 3.08Å; Q59-G61 VanDerWaalsContact C-N 3.33Å; Q59-R116 WeakPolarHBondContact CG-O 3.41Å; Q59-R116 PolarHBondContact NE2-O 3.47Å; Q59-G117 WeakPolarHBondContact O-CA 3.38Å; Q59-H118 PolarHBondContact NE2-O 3.24Å; Q59-H118 PolarHBondContact O-CD2 2.96Å; Q59-H118 PolarHBondContact O-N 3.48Å
60H86.3Confident82Confident45 Ų4562.1 Ų62.121%0.20831%0.314CS..THydrogen-bonded Turntrans-89.14.7176.2-68.4-89.2000113.6F17 V56 V58 A62 Q115F17-H60 AromaticContact CE1-CD2 3.38Å; F17-H60 WeakPolarHBondContact CE1-CD2 3.47Å; F17-H60 AromaticContact CE1-CE1 3.68Å; F17-H60 AromaticContact CE1-CG 3.74Å; F17-H60 AromaticContact CE1-ND1 3.93Å; F17-H60 AromaticContact CE1-NE2 3.37Å; F17-H60 WeakPolarHBondContact CE1-NE2 3.31Å; F17-H60 HydrophobicContact CZ-CB 4.07Å; F17-H60 AromaticContact CZ-CD2 3.75Å; F17-H60 AromaticContact CZ-CG 3.64Å; F17-H60 AromaticContact CZ-ND1 3.91Å; V56-H60 PolarHBondContact O-CD2 2.82Å; V56-H60 VanDerWaalsContact O-CD2 3.26Å; V56-H60 PolarHBondContact O-N 3.41Å; V56-H60 VanDerWaalsContact O-N 3.16Å; V58-H60 VanDerWaalsContact C-N 3.27Å; V58-H60 PolarHBondContact O-N 2.94Å; H60-A62 PolarHBondContact O-N 3.41Å; H60-Q115 PolarHBondContact CE1-O 3.32Å
61G81.1Confident80.3Confident4 Ų464.4 Ų64.44%0.04134%0.337CS..THydrogen-bonded Turntrans66.812-178.700000114.8L57 V58 Q59 C63 R84L57-G61 PolarHBondContact O-N 3.27Å; V58-G61 PolarHBondContact O-N 3.25Å; Q59-G61 VanDerWaalsContact C-N 3.33Å; G61-C63 VanDerWaalsContact C-N 3.31Å; G61-R84 WeakPolarHBondContact O-CD 3.38Å
62A82.1Confident78.5Confident8 Ų866.7 Ų66.77%0.06636%0.363CS..SBendtrans-73.2-24.6176.200000112.2L57 H60 C81 I85L57-A62 HydrophobicContact CD2-CB 4.04Å; L57-A62 PolarHBondContact O-N 2.83Å; H60-A62 PolarHBondContact O-N 3.41Å; A62-C81 PolarHBondContact O-N 3.17Å; A62-I85 HydrophobicContact CB-CD1 4.42Å; A62-I85 HydrophobicContact CB-CG1 3.85Å
63C83.4Confident77.1Confident4 Ų463.6 Ų63.63%0.02737%0.371CS..EExtended strand (participates in β ladder)trans-120.5131.5173.6-171.10000110.8L57 V58 G61 R79L57-C63 HydrophobicContact CB-CB 3.77Å; L57-C63 PolarHBondContact O-N 3.37Å; V58-C63 HydrophobicContact CG2-CB 4.11Å; G61-C63 VanDerWaalsContact C-N 3.31Å; C63-R79 WeakPolarHBondContact CA-O 3.47Å; C63-R79 PolarHBondContact SG-O 3.4Å
64C82.3Confident76.1Confident54 Ų5464.2 Ų64.237%0.36538%0.375SS..EExtended strand (participates in β ladder)trans-97.5148.8166.5-61.40000109.1R79C64-R79 PolarHBondContact N-O 3.16Å; C64-R79 PolarHBondContact O-N 3.26Å
65F83.7Confident75.5Confident85 Ų8567.8 Ų67.837%0.37340%0.398SS..EExtended strand (participates in β ladder)trans-123.1140.1172.765.1-89.5000109.5V58 T76 E77 Y78 V166V58-F65 HydrophobicContact CG1-CD1 3.95Å; V58-F65 HydrophobicContact CG1-CE1 3.79Å; V58-F65 HydrophobicContact CG2-CD1 4.11Å; F65-T76 HydrophobicContact CB-CG2 3.76Å; F65-T76 HydrophobicContact CD2-CG2 4.02Å; F65-T76 HydrophobicContact CG-CG2 4.32Å; F65-E77 VanDerWaalsContact CA-O 3.31Å; F65-E77 WeakPolarHBondContact CA-O 3.17Å; F65-Y78 HydrophobicContact CB-CD1 3.96Å; F65-Y78 HydrophobicContact CB-CE1 4.03Å; F65-V166 HydrophobicContact CE2-CG1 3.69Å; F65-V166 HydrophobicContact CZ-CB 4.47Å; F65-V166 HydrophobicContact CZ-CG1 3.66Å; F65-V166 HydrophobicContact CZ-CG2 3.91Å
66T77.4Confident75.2Confident79 Ų7966.2 Ų66.249%0.48539%0.386SS..EExtended strand (participates in β ladder)trans-128.2137.3176.651.60000109.1G68 E77T66-G68 PolarHBondContact O-N 3.13Å; T66-E77 PolarHBondContact N-O 3.39Å; T66-E77 PolarHBondContact O-N 3.17Å
67S73.9Confident75Confident88 Ų8867 Ų6762%0.61539%0.386SS*.EExtended strand (participates in β ladder)trans-62.2128.1163.545.80000107.8
68G61.8Low75Confident9 Ų969 Ų699%0.09339%0.394CS..  trans-57164.4-177.600000113.3T66 K70 S74T66-G68 PolarHBondContact O-N 3.13Å; G68-K70 PolarHBondContact O-N 3.14Å; G68-S74 VanDerWaalsContact C-OG 3.24Å; G68-S74 WeakPolarHBondContact CA-OG 3.47Å; G68-S74 PolarHBondContact N-OG 2.85Å; G68-S74 PolarHBondContact O-OG 3.19Å
69R59.2Low74.9Confident234 Ų23473.4 Ų73.488%0.88341%0.407SS*.SBendtrans-65.81.8-175.2-66-175.3-179.3-162.3-1115.4
70K54.2Low74.9Confident187 Ų18770.6 Ų70.681%0.81340%0.396SS*.SBendtrans-118.262.9-173-71.2-172.3177.2-178.40112.2G68G68-K70 PolarHBondContact O-N 3.14Å
71G53.7Low74.9Confident47 Ų4770 Ų7049%0.48540%0.396SS..G310 helixtrans66.7-175.1165.900000116G73 S74G71-G73 PolarHBondContact O-N 3.29Å; G71-S74 PolarHBondContact O-N 3.24Å; G71-S74 PolarHBondContact O-OG 3.06Å
72P52.8Low75.2Confident159 Ų15970.2 Ų70.2100%1.03240%0.397SS*.G310 helixtrans-71.223.2-170.127.7-33.9000115.8
73G62.3Low75.3Confident74 Ų7473 Ų7376%0.76341%0.41SS*.G310 helixtrans-144.96.3176.300000114.3G71G71-G73 PolarHBondContact O-N 3.29Å
74S70.3Confident75.4Confident21 Ų2175.6 Ų75.615%0.14742%0.42CS..SBendtrans-68.8141.8174.956.90000111G68 G71 T76G68-S74 VanDerWaalsContact C-OG 3.24Å; G68-S74 WeakPolarHBondContact CA-OG 3.47Å; G68-S74 PolarHBondContact N-OG 2.85Å; G68-S74 PolarHBondContact O-OG 3.19Å; G71-S74 PolarHBondContact O-N 3.24Å; G71-S74 PolarHBondContact O-OG 3.06Å; S74-T76 PolarHBondContact O-N 2.87Å
75P74.6Confident75.7Confident78 Ų7873.2 Ų73.251%0.50640%0.403SS..PPolyproline II helixtrans-57.2138.7176.824.9-33.3000110.5N35 E77N35-P75 HydrophobicContact CB-CB 4.4Å; N35-P75 VanDerWaalsContact ND2-CG 3.35Å; N35-P75 WeakPolarHBondContact ND2-CG 3.39Å; P75-E77 PolarHBondContact O-N 2.9Å
76T82.9Confident76Confident54 Ų5470 Ų7033%0.33139%0.39SS..EExtended strand (participates in β ladder)trans-66.2125.1176.2-490000109.6N35 F65 S74 Y78N35-T76 PolarHBondContact OD1-O 3.42Å; F65-T76 HydrophobicContact CB-CG2 3.76Å; F65-T76 HydrophobicContact CD2-CG2 4.02Å; F65-T76 HydrophobicContact CG-CG2 4.32Å; S74-T76 PolarHBondContact O-N 2.87Å; T76-Y78 HydrophobicContact CG2-CE2 4.41Å
77E86.9Confident76.6Confident68 Ų6868.3 Ų68.332%0.31838%0.375SS..EExtended strand (participates in β ladder)trans-92128.1174.9-70.7175.9-164.900109N35 F65 T66 P75N35-E77 WeakPolarHBondContact OD1-CG 3.44Å; F65-E77 VanDerWaalsContact CA-O 3.31Å; F65-E77 WeakPolarHBondContact CA-O 3.17Å; T66-E77 PolarHBondContact N-O 3.39Å; T66-E77 PolarHBondContact O-N 3.17Å; P75-E77 PolarHBondContact O-N 2.9Å
78Y88.3Confident77.3Confident45 Ų4564.8 Ų64.818%0.17635%0.35CS..EExtended strand (participates in β ladder)trans-101.5129.6176.5-64.4-86.3000109.4A33 Q34 L36 I39 L54 F65 T76A33-Y78 VanDerWaalsContact CA-O 3.28Å; A33-Y78 WeakPolarHBondContact CA-O 3.38Å; Q34-Y78 PolarHBondContact N-O 3.03Å; Q34-Y78 PolarHBondContact O-N 3.41Å; L36-Y78 HydrophobicContact CB-CE2 4.28Å; I39-Y78 HydrophobicContact CD1-CD2 4.18Å; L54-Y78 HydrophobicContact CB-CE1 4.47Å; L54-Y78 HydrophobicContact CD1-CD1 4.25Å; L54-Y78 HydrophobicContact CD1-CD2 4.12Å; L54-Y78 HydrophobicContact CD1-CE1 4.13Å; L54-Y78 HydrophobicContact CD1-CE2 4Å; L54-Y78 HydrophobicContact CD1-CG 4.24Å; L54-Y78 HydrophobicContact CD2-CD1 4.07Å; L54-Y78 HydrophobicContact CD2-CG 4.15Å; F65-Y78 HydrophobicContact CB-CD1 3.96Å; F65-Y78 HydrophobicContact CB-CE1 4.03Å; T76-Y78 HydrophobicContact CG2-CE2 4.41Å
79R88.2Confident78.6Confident129 Ų12964.9 Ų64.949%0.48735%0.348SS..EExtended strand (participates in β ladder)trans-127.2124177.5178.5-179.9-73.9180-2.3110A33 C63 C64A33-R79 HydrophobicContact CB-CB 4.21Å; C63-R79 WeakPolarHBondContact CA-O 3.47Å; C63-R79 PolarHBondContact SG-O 3.4Å; C64-R79 PolarHBondContact N-O 3.16Å; C64-R79 PolarHBondContact O-N 3.26Å
80A87.6Confident80.2Confident11 Ų1154.1 Ų54.19%0.09131%0.307CS..EExtended strand (participates in β ladder)trans-77.8138.3171.700000111.5L28 L29L28-A80 HydrophobicContact CB-CB 3.68Å; L29-A80 HydrophobicContact CD2-CB 3.73Å; L29-A80 HydrophobicContact CG-CB 3.91Å
81C86.3Confident82Confident33 Ų3347 Ų4722%0.22328%0.276CS..  trans-103.297.9178.6-71.30000109.8A62 D83 R84 I85A62-C81 PolarHBondContact O-N 3.17Å; C81-D83 VanDerWaalsContact C-N 3.33Å; C81-D83 PolarHBondContact O-N 3.02Å; C81-R84 HydrophobicContact CB-CB 4.01Å; C81-R84 HydrophobicContact CB-CG 4.15Å; C81-R84 PolarHBondContact O-N 3.44Å; C81-I85 PolarHBondContact O-N 2.8Å
82C87.3Confident83.9Confident8 Ų848 Ų485%0.05427%0.273CS..Hα-helixtrans-55.2-45.9-179.6-177.20000112.9M1 C9 L29 R84 I85 L86M1-C82 HydrophobicContact CE-CB 3.22Å; M1-C82 HydrophobicContact SD-CB 3.74Å; C9-C82 PolarHBondContact SG-SG 2.9Å; L29-C82 HydrophobicContact CD2-CB 3.81Å; C82-R84 VanDerWaalsContact C-N 3.31Å; C82-R84 PolarHBondContact O-N 3.04Å; C82-I85 PolarHBondContact O-N 3.08Å; C82-I85 VanDerWaalsContact O-N 3.09Å; C82-L86 WeakPolarHBondContact O-CG 3.13Å; C82-L86 PolarHBondContact O-N 3.03Å
83D85.4Confident85.8Confident65 Ų6543 Ų4335%0.34823%0.234SC..Hα-helixtrans-58.8-42179.8171.232.9000111.6C81 I85 L86 R87C81-D83 VanDerWaalsContact C-N 3.33Å; C81-D83 PolarHBondContact O-N 3.02Å; D83-I85 VanDerWaalsContact C-N 3.34Å; D83-I85 PolarHBondContact O-N 2.94Å; D83-L86 PolarHBondContact O-N 2.72Å; D83-R87 VanDerWaalsContact CG-NE 3.33Å; D83-R87 WeakPolarHBondContact O-CG 3.34Å; D83-R87 PolarHBondContact O-N 2.89Å; D83-R87 IonicContact OD1-CZ 2.84Å; D83-R87 IonicContact OD1-NE 2.66Å; D83-R87 PolarHBondContact OD1-NE 2.93Å; D83-R87 IonicContact OD1-NH2 3.1Å; D83-R87 PolarHBondContact OD1-NH2 3.5Å; D83-R87 IonicContact OD2-CZ 3.4Å; D83-R87 IonicContact OD2-NE 2.99Å; D83-R87 PolarHBondContact OD2-NE 3.36Å; D83-R87 IonicContact OD2-NH2 2.7Å; D83-R87 PolarHBondContact OD2-NH2 3.11Å
84R85.4Confident87.3Confident60 Ų6039.4 Ų39.423%0.22620%0.197CC..Hα-helixtrans-65.1-35.4175.3-73-169.2175.3-146.7-0.1113.2G61 C81 C82 R87G61-R84 WeakPolarHBondContact O-CD 3.38Å; C81-R84 HydrophobicContact CB-CB 4.01Å; C81-R84 HydrophobicContact CB-CG 4.15Å; C81-R84 PolarHBondContact O-N 3.44Å; C82-R84 VanDerWaalsContact C-N 3.31Å; C82-R84 PolarHBondContact O-N 3.04Å; R84-R87 PolarHBondContact O-N 3.33Å
85I88.6Confident88.4Confident4 Ų440 Ų402%0.02120%0.198CC..Hα-helixtrans-70.3-42.9176.3-62.7165.1000110.5C9 L12 L13 L29 A62 C81 C82 D83 R87 V88C9-I85 HydrophobicContact CB-CB 4.47Å; C9-I85 HydrophobicContact CB-CG2 3.79Å; L12-I85 HydrophobicContact CB-CG2 4.41Å; L13-I85 HydrophobicContact CD1-CD1 4.23Å; L13-I85 HydrophobicContact CD2-CD1 4.48Å; L13-I85 HydrophobicContact CD2-CG2 4.34Å; L13-I85 HydrophobicContact CG-CG2 4.19Å; L29-I85 HydrophobicContact CD1-CD1 4.05Å; L29-I85 HydrophobicContact CD2-CD1 4.31Å; L29-I85 HydrophobicContact CG-CD1 4.5Å; A62-I85 HydrophobicContact CB-CD1 4.42Å; A62-I85 HydrophobicContact CB-CG1 3.85Å; C81-I85 PolarHBondContact O-N 2.8Å; C82-I85 PolarHBondContact O-N 3.08Å; C82-I85 VanDerWaalsContact O-N 3.09Å; D83-I85 VanDerWaalsContact C-N 3.34Å; D83-I85 PolarHBondContact O-N 2.94Å; I85-R87 PolarHBondContact O-N 2.79Å; I85-V88 VanDerWaalsContact O-CB 3.25Å; I85-V88 WeakPolarHBondContact O-CB 3.27Å; I85-V88 WeakPolarHBondContact O-CG2 3.42Å; I85-V88 PolarHBondContact O-N 3.12Å; I85-V88 VanDerWaalsContact O-N 3.09Å
86L89.4Confident89.4Confident18 Ų1843.8 Ų43.89%0.09420%0.204CC..Hα-helixtrans-62.9-30.9177.1-67.8175.6000112.2E5 L8 C82 D83 V88 L89 Y454E5-L86 HydrophobicContact CG-CD1 4.26Å; L8-L86 HydrophobicContact CB-CD2 4.31Å; L8-L86 HydrophobicContact CD2-CD2 3.63Å; L8-L86 HydrophobicContact CG-CD2 3.88Å; C82-L86 WeakPolarHBondContact O-CG 3.13Å; C82-L86 PolarHBondContact O-N 3.03Å; D83-L86 PolarHBondContact O-N 2.72Å; L86-V88 PolarHBondContact O-N 3.38Å; L86-L89 WeakPolarHBondContact O-CB 3.39Å; L86-L89 PolarHBondContact O-N 3.08Å; L86-Y454 HydrophobicContact CD1-CE1 4.27Å
87R89.1Confident89.9Confident42 Ų4241.8 Ų41.816%0.15819%0.191CC..G310 helixtrans-65.7-13.2175.6-70.7166.9-166.3-155.7-4.4114D83 R84 I85 L89 R90 Y91 F253D83-R87 VanDerWaalsContact CG-NE 3.33Å; D83-R87 WeakPolarHBondContact O-CG 3.34Å; D83-R87 PolarHBondContact O-N 2.89Å; D83-R87 IonicContact OD1-CZ 2.84Å; D83-R87 IonicContact OD1-NE 2.66Å; D83-R87 PolarHBondContact OD1-NE 2.93Å; D83-R87 IonicContact OD1-NH2 3.1Å; D83-R87 PolarHBondContact OD1-NH2 3.5Å; D83-R87 IonicContact OD2-CZ 3.4Å; D83-R87 IonicContact OD2-NE 2.99Å; D83-R87 PolarHBondContact OD2-NE 3.36Å; D83-R87 IonicContact OD2-NH2 2.7Å; D83-R87 PolarHBondContact OD2-NH2 3.11Å; R84-R87 PolarHBondContact O-N 3.33Å; I85-R87 PolarHBondContact O-N 2.79Å; R87-L89 PolarHBondContact O-N 3.09Å; R87-R90 WeakPolarHBondContact O-CB 3.33Å; R87-R90 PolarHBondContact O-N 3.33Å; R87-Y91 VanDerWaalsContact O-CD1 3.29Å; R87-Y91 WeakPolarHBondContact O-CD1 3.46Å; R87-Y91 WeakPolarHBondContact O-CE1 3.48Å; R87-F253 VanDerWaalsContact NH1-CB 3.25Å
88V90.2Very high90.2Very high15 Ų1538.6 Ų38.69%0.09118%0.176CC..G310 helixtrans-59.3-36172.3178.70000111.1H16 I85 L86 R90 Y91H16-V88 VanDerWaalsContact CD2-CG1 3.49Å; H16-V88 WeakPolarHBondContact CD2-CG1 3.39Å; H16-V88 VanDerWaalsContact NE2-CG1 3.29Å; H16-V88 WeakPolarHBondContact NE2-CG1 3.4Å; I85-V88 VanDerWaalsContact O-CB 3.25Å; I85-V88 WeakPolarHBondContact O-CB 3.27Å; I85-V88 WeakPolarHBondContact O-CG2 3.42Å; I85-V88 PolarHBondContact O-N 3.12Å; I85-V88 VanDerWaalsContact O-N 3.09Å; L86-V88 PolarHBondContact O-N 3.38Å; V88-R90 PolarHBondContact O-N 3.47Å; V88-R90 VanDerWaalsContact O-N 3.08Å; V88-Y91 HydrophobicContact CB-CE1 4.38Å; V88-Y91 HydrophobicContact CB-CE2 4.45Å; V88-Y91 HydrophobicContact CG1-CD2 4.19Å; V88-Y91 HydrophobicContact CG1-CE2 4.08Å; V88-Y91 HydrophobicContact CG2-CE1 4.26Å; V88-Y91 HydrophobicContact CG2-CE2 4.26Å; V88-Y91 WeakPolarHBondContact O-CB 3.45Å; V88-Y91 VanDerWaalsContact O-CG 3.32Å; V88-Y91 PolarHBondContact O-N 3.4Å; V88-Y91 VanDerWaalsContact O-N 3.09Å
89L88.9Confident90.5Very high11 Ų1140.3 Ų40.36%0.05819%0.185CC..G310 helixtrans-53.4-30.5172.7-174.663.9000112.9L86 R87 V457 E527 D531L86-L89 WeakPolarHBondContact O-CB 3.39Å; L86-L89 PolarHBondContact O-N 3.08Å; R87-L89 PolarHBondContact O-N 3.09Å; L89-V457 HydrophobicContact CD1-CG1 3.89Å; L89-V457 HydrophobicContact CD2-CG1 4.15Å; L89-V457 HydrophobicContact CD2-CG2 4.28Å; L89-E527 HydrophobicContact CD1-CG 3.31Å; L89-E527 WeakPolarHBondContact CD1-OE1 3.49Å; L89-D531 HydrophobicContact CD2-CB 3.87Å; L89-D531 HydrophobicContact CG-CB 4Å
90R91.9Very high90.7Very high7 Ų738.5 Ų38.53%0.02619%0.188CC..G310 helixtrans-90.1-1.6-175.1-57.6-163.9172.61459.9113.9R87 V88 R93 Y94 H257 D531 E538R87-R90 WeakPolarHBondContact O-CB 3.33Å; R87-R90 PolarHBondContact O-N 3.33Å; V88-R90 PolarHBondContact O-N 3.47Å; V88-R90 VanDerWaalsContact O-N 3.08Å; R90-R93 WeakPolarHBondContact O-CB 3.5Å; R90-R93 PolarHBondContact O-N 3.05Å; R90-R93 VanDerWaalsContact O-N 3.11Å; R90-Y94 HydrophobicContact CB-CD2 4.22Å; R90-Y94 HydrophobicContact CB-CE1 4.05Å; R90-Y94 HydrophobicContact CB-CE2 3.5Å; R90-Y94 VanDerWaalsContact CB-CE2 3.5Å; R90-Y94 WeakPolarHBondContact CB-OH 3.19Å; R90-Y94 WeakPolarHBondContact CD-OH 3.37Å; R90-Y94 VanDerWaalsContact O-CD2 3.31Å; R90-Y94 WeakPolarHBondContact O-CD2 3.44Å; R90-Y94 PolarHBondContact O-N 3.1Å; R90-H257 PolarHBondContact NH1-NE2 3.41Å; R90-D531 VanDerWaalsContact CG-OD1 3.27Å; R90-D531 WeakPolarHBondContact CG-OD1 3.32Å; R90-D531 WeakPolarHBondContact CG-OD2 3.18Å; R90-D531 IonicContact CZ-OD1 2.78Å; R90-D531 IonicContact NE-OD1 3.82Å; R90-D531 PolarHBondContact NE-OD1 3.27Å; R90-D531 IonicContact NE-OD2 2.7Å; R90-D531 IonicContact NH2-OD1 3.42Å; R90-E538 IonicContact CZ-OE2 2.78Å; R90-E538 VanDerWaalsContact CZ-OE2 3.31Å; R90-E538 IonicContact NH1-OE2 2.81Å; R90-E538 PolarHBondContact NH1-OE2 3.5Å; R90-E538 IonicContact NH2-OE2 3.98Å; R90-E538 PolarHBondContact NH2-OE2 3.14Å
91Y92.6Very high90.9Very high39 Ų3941.6 Ų41.615%0.15320%0.203CC..Hα-helixtrans-56.2-46.9-175.6-75.29.9000113.2R87 V88 R93 Y94 I95 L114 F253R87-Y91 VanDerWaalsContact O-CD1 3.29Å; R87-Y91 WeakPolarHBondContact O-CD1 3.46Å; R87-Y91 WeakPolarHBondContact O-CE1 3.48Å; V88-Y91 HydrophobicContact CB-CE1 4.38Å; V88-Y91 HydrophobicContact CB-CE2 4.45Å; V88-Y91 HydrophobicContact CG1-CD2 4.19Å; V88-Y91 HydrophobicContact CG1-CE2 4.08Å; V88-Y91 HydrophobicContact CG2-CE1 4.26Å; V88-Y91 HydrophobicContact CG2-CE2 4.26Å; V88-Y91 WeakPolarHBondContact O-CB 3.45Å; V88-Y91 VanDerWaalsContact O-CG 3.32Å; V88-Y91 PolarHBondContact O-N 3.4Å; V88-Y91 VanDerWaalsContact O-N 3.09Å; Y91-R93 PolarHBondContact O-N 3.5Å; Y91-Y94 AromaticContact CD1-CD2 3.97Å; Y91-Y94 HydrophobicContact CD1-CD2 3.97Å; Y91-Y94 HydrophobicContact CD1-CE2 4.08Å; Y91-Y94 PolarHBondContact O-N 3.13Å; Y91-Y94 VanDerWaalsContact O-N 3.14Å; Y91-I95 VanDerWaalsContact O-CG1 3.31Å; Y91-I95 WeakPolarHBondContact O-CG1 3.37Å; Y91-I95 PolarHBondContact O-N 2.79Å; Y91-L114 HydrophobicContact CD1-CD1 4.21Å; Y91-L114 HydrophobicContact CD1-CD2 4.03Å; Y91-L114 HydrophobicContact CD2-CB 4.01Å; Y91-L114 HydrophobicContact CE1-CD2 3.79Å; Y91-L114 HydrophobicContact CE2-CB 4.02Å; Y91-L114 HydrophobicContact CE2-CD2 4.45Å; Y91-L114 HydrophobicContact CG-CB 4.38Å; Y91-L114 HydrophobicContact CG-CD1 4.06Å; Y91-L114 HydrophobicContact CG-CD2 4.45Å; Y91-F253 HydrophobicContact CE1-CE1 4.02Å; Y91-F253 HydrophobicContact CE1-CZ 4.2Å
92P92.7Very high91.1Very high67 Ų6742.4 Ų42.444%0.43520%0.202SC..Hα-helixtrans-56.9-39.1177.4-2535.3000112.5I95 Y96P92-I95 PolarHBondContact O-N 2.93Å; P92-Y96 WeakPolarHBondContact O-CB 3.23Å; P92-Y96 PolarHBondContact O-N 3.43Å
93R93Very high91.3Very high53 Ų5343.6 Ų43.620%0.222%0.216CC..Hα-helixtrans-69.4-39.1179.2-166-179.5176.1174.73.6112.5R90 Y91 T97 F260R90-R93 WeakPolarHBondContact O-CB 3.5Å; R90-R93 PolarHBondContact O-N 3.05Å; R90-R93 VanDerWaalsContact O-N 3.11Å; Y91-R93 PolarHBondContact O-N 3.5Å; R93-T97 WeakPolarHBondContact O-CB 3.43Å; R93-T97 PolarHBondContact O-N 3.06Å; R93-T97 PolarHBondContact O-OG1 3.43Å; R93-F260 HydrophobicContact CB-CZ 4.39Å; R93-F260 HydrophobicContact CG-CE1 4.17Å; R93-F260 HydrophobicContact CG-CE2 4.04Å; R93-F260 HydrophobicContact CG-CZ 3.64Å
94Y94.1Very high91.6Very high0 Ų044.9 Ų44.90%022%0.222CC..Hα-helixtrans-63.1-44.2174.7-58.8-41.5000111.4R90 Y91 T97 A98 L114 F253 F256 H257 F260R90-Y94 HydrophobicContact CB-CD2 4.22Å; R90-Y94 HydrophobicContact CB-CE1 4.05Å; R90-Y94 HydrophobicContact CB-CE2 3.5Å; R90-Y94 VanDerWaalsContact CB-CE2 3.5Å; R90-Y94 WeakPolarHBondContact CB-OH 3.19Å; R90-Y94 WeakPolarHBondContact CD-OH 3.37Å; R90-Y94 VanDerWaalsContact O-CD2 3.31Å; R90-Y94 WeakPolarHBondContact O-CD2 3.44Å; R90-Y94 PolarHBondContact O-N 3.1Å; Y91-Y94 AromaticContact CD1-CD2 3.97Å; Y91-Y94 HydrophobicContact CD1-CD2 3.97Å; Y91-Y94 HydrophobicContact CD1-CE2 4.08Å; Y91-Y94 PolarHBondContact O-N 3.13Å; Y91-Y94 VanDerWaalsContact O-N 3.14Å; Y94-T97 PolarHBondContact O-N 3.03Å; Y94-A98 PolarHBondContact O-N 3.14Å; Y94-L114 HydrophobicContact CD2-CD1 4.31Å; Y94-F253 HydrophobicContact CD2-CD1 4.07Å; Y94-F253 HydrophobicContact CD2-CE1 4.05Å; Y94-F253 AromaticContact CE2-CD1 3.43Å; Y94-F253 HydrophobicContact CE2-CD1 3.43Å; Y94-F253 VanDerWaalsContact CE2-CD1 3.43Å; Y94-F253 AromaticContact CE2-CE1 3.64Å; Y94-F253 HydrophobicContact CE2-CE1 3.64Å; Y94-F253 AromaticContact CZ-CD1 3.72Å; Y94-F256 HydrophobicContact CD1-CB 3.54Å; Y94-F256 AromaticContact CD1-CD1 3.74Å; Y94-F256 HydrophobicContact CD1-CD1 3.74Å; Y94-F256 HydrophobicContact CD1-CD2 4.14Å; Y94-F256 HydrophobicContact CD1-CE1 4.47Å; Y94-F256 AromaticContact CD1-CG 3.54Å; Y94-F256 HydrophobicContact CD1-CG 3.54Å; Y94-F256 HydrophobicContact CE1-CB 3.57Å; Y94-F256 HydrophobicContact CE1-CG 4.07Å; Y94-F256 HydrophobicContact CG-CD1 4.39Å; Y94-F256 HydrophobicContact CG-CG 4.3Å; Y94-F256 WeakPolarHBondContact O-CE1 3.42Å; Y94-H257 AromaticContact CZ-NE2 3.91Å; Y94-H257 PolarHBondContact OH-NE2 3.3Å; Y94-F260 AromaticContact CD1-CE2 3.76Å; Y94-F260 HydrophobicContact CD1-CE2 3.76Å; Y94-F260 AromaticContact CD1-CZ 3.82Å; Y94-F260 HydrophobicContact CD1-CZ 3.82Å; Y94-F260 AromaticContact CE1-CE2 3.62Å; Y94-F260 HydrophobicContact CE1-CE2 3.62Å; Y94-F260 HydrophobicContact CE1-CZ 4.17Å
95I94.1Very high91.8Very high32 Ų3242.7 Ų42.716%0.16422%0.216CC..Hα-helixtrans-62-49.1178.7-65.3166.9000110.3Y91 P92 T97 A98 K99 E107 I110 E111 L114Y91-I95 VanDerWaalsContact O-CG1 3.31Å; Y91-I95 WeakPolarHBondContact O-CG1 3.37Å; Y91-I95 PolarHBondContact O-N 2.79Å; P92-I95 PolarHBondContact O-N 2.93Å; I95-T97 VanDerWaalsContact C-N 3.26Å; I95-T97 PolarHBondContact O-N 3.45Å; I95-A98 WeakPolarHBondContact O-CB 3.4Å; I95-A98 PolarHBondContact O-N 3.33Å; I95-A98 VanDerWaalsContact O-N 3.16Å; I95-K99 PolarHBondContact O-N 3.06Å; I95-E107 HydrophobicContact CG2-CG 3.43Å; I95-E107 VanDerWaalsContact CG2-CG 3.43Å; I95-I110 HydrophobicContact CG1-CG2 4.46Å; I95-E111 HydrophobicContact CD1-CB 4.28Å; I95-E111 HydrophobicContact CD1-CG 4.21Å; I95-E111 HydrophobicContact CG1-CB 4.43Å; I95-L114 HydrophobicContact CD1-CD1 4.39Å; I95-L114 HydrophobicContact CG1-CD1 3.98Å
96Y94.4Very high91.9Very high159 Ų15942.5 Ų42.562%0.62422%0.215SC*.Hα-helixtrans-59.4-37.8177.1-178.8-103.1000112.9P92 K99 T100P92-Y96 WeakPolarHBondContact O-CB 3.23Å; P92-Y96 PolarHBondContact O-N 3.43Å; Y96-K99 WeakPolarHBondContact O-CB 3.49Å; Y96-K99 PolarHBondContact O-N 2.95Å; Y96-T100 PolarHBondContact O-N 2.9Å; Y96-T100 PolarHBondContact O-OG1 3.47Å
97T93.4Very high92.1Very high11 Ų1143.7 Ų43.77%0.06722%0.22CC..Hα-helixtrans-69.6-39.9178.6-55.80000111.4R93 Y94 I95 K99 T100 L101 F256 F260R93-T97 WeakPolarHBondContact O-CB 3.43Å; R93-T97 PolarHBondContact O-N 3.06Å; R93-T97 PolarHBondContact O-OG1 3.43Å; Y94-T97 PolarHBondContact O-N 3.03Å; I95-T97 VanDerWaalsContact C-N 3.26Å; I95-T97 PolarHBondContact O-N 3.45Å; T97-K99 VanDerWaalsContact C-N 3.35Å; T97-T100 PolarHBondContact O-N 3.26Å; T97-L101 HydrophobicContact CG2-CD1 4.05Å; T97-L101 WeakPolarHBondContact O-CG 3.49Å; T97-L101 PolarHBondContact O-N 3.07Å; T97-L101 VanDerWaalsContact O-N 3.09Å; T97-F256 HydrophobicContact CG2-CD1 4.17Å; T97-F256 HydrophobicContact CG2-CE1 4.19Å; T97-F260 HydrophobicContact CG2-CE1 3.96Å; T97-F260 WeakPolarHBondContact OG1-CE1 3.39Å
98A93.2Very high92.2Very high1 Ų142.4 Ų42.41%0.00822%0.216CC..Hα-helixtrans-62.2-43174.400000111.4Y94 I95 T100 L101 Y102 I110Y94-A98 PolarHBondContact O-N 3.14Å; I95-A98 WeakPolarHBondContact O-CB 3.4Å; I95-A98 PolarHBondContact O-N 3.33Å; I95-A98 VanDerWaalsContact O-N 3.16Å; A98-T100 VanDerWaalsContact C-N 3.33Å; A98-T100 PolarHBondContact O-N 2.98Å; A98-L101 PolarHBondContact O-N 3.46Å; A98-Y102 PolarHBondContact O-N 3.25Å; A98-I110 HydrophobicContact CB-CB 4.05Å; A98-I110 HydrophobicContact CB-CG1 3.71Å; A98-I110 HydrophobicContact CB-CG2 4.48Å
99K94.6Very high92.3Very high81 Ų8141.7 Ų41.735%0.35221%0.212SC..Hα-helixtrans-56.5-46.1172.6-169.9-172.5-172.680.70112I95 Y96 T97 L101 G103 D104 E107I95-K99 PolarHBondContact O-N 3.06Å; Y96-K99 WeakPolarHBondContact O-CB 3.49Å; Y96-K99 PolarHBondContact O-N 2.95Å; T97-K99 VanDerWaalsContact C-N 3.35Å; K99-L101 VanDerWaalsContact C-N 3.32Å; K99-L101 PolarHBondContact O-N 3.23Å; K99-G103 VanDerWaalsContact O-CA 3.22Å; K99-G103 WeakPolarHBondContact O-CA 3.32Å; K99-G103 PolarHBondContact O-N 2.92Å; K99-D104 IonicContact NZ-OD1 3.81Å; K99-D104 PolarHBondContact NZ-OD1 3.46Å; K99-E107 HydrophobicContact CB-CB 3.94Å; K99-E107 HydrophobicContact CB-CG 4.06Å; K99-E107 WeakPolarHBondContact CD-OE2 3.36Å; K99-E107 HydrophobicContact CG-CB 4.36Å; K99-E107 VanDerWaalsContact CG-OE2 3.26Å; K99-E107 WeakPolarHBondContact CG-OE2 3.06Å; K99-E107 IonicContact NZ-OE2 3.07Å; K99-E107 PolarHBondContact NZ-OE2 3.49Å
100T93.4Very high92.5Very high92 Ų9241.1 Ų41.156%0.56421%0.209SC*.Hα-helixtrans-64.6-34.5-178.4-55.80000112.9Y96 T97 A98Y96-T100 PolarHBondContact O-N 2.9Å; Y96-T100 PolarHBondContact O-OG1 3.47Å; T97-T100 PolarHBondContact O-N 3.26Å; A98-T100 VanDerWaalsContact C-N 3.33Å; A98-T100 PolarHBondContact O-N 2.98Å
101L90.4Very high92.6Very high76 Ų7642.2 Ų42.240%0.39821%0.214SC..Hα-helixtrans-93.5-33.2-175.5-64.4175.5000113.9T97 A98 K99 F159T97-L101 HydrophobicContact CG2-CD1 4.05Å; T97-L101 WeakPolarHBondContact O-CG 3.49Å; T97-L101 PolarHBondContact O-N 3.07Å; T97-L101 VanDerWaalsContact O-N 3.09Å; A98-L101 PolarHBondContact O-N 3.46Å; K99-L101 VanDerWaalsContact C-N 3.32Å; K99-L101 PolarHBondContact O-N 3.23Å; L101-F159 HydrophobicContact CD1-CE1 4.43Å; L101-F159 HydrophobicContact CD1-CE2 4.05Å; L101-F159 HydrophobicContact CD1-CZ 3.63Å
102Y91.1Very high92.4Very high49 Ų4940.6 Ų40.619%0.19221%0.208CC..Hα-helixtrans-129.55.2-169.8-58-87.3000114A98 K153 L154 T157 F159A98-Y102 PolarHBondContact O-N 3.25Å; Y102-K153 HydrophobicContact CE1-CB 4.24Å; Y102-L154 HydrophobicContact CD1-CD2 4.17Å; Y102-L154 HydrophobicContact CD1-CG 4.24Å; Y102-L154 HydrophobicContact CD2-CD2 3.5Å; Y102-L154 VanDerWaalsContact CD2-CD2 3.5Å; Y102-L154 HydrophobicContact CD2-CG 4.36Å; Y102-L154 HydrophobicContact CE1-CD2 4.07Å; Y102-L154 HydrophobicContact CE1-CG 4.29Å; Y102-L154 HydrophobicContact CE2-CD2 3.42Å; Y102-L154 VanDerWaalsContact CE2-CD2 3.42Å; Y102-L154 HydrophobicContact CE2-CG 4.44Å; Y102-L154 HydrophobicContact CG-CD2 3.92Å; Y102-L154 HydrophobicContact CG-CG 4.29Å; Y102-T157 VanDerWaalsContact OH-CB 3.24Å; Y102-T157 WeakPolarHBondContact OH-CB 3.5Å; Y102-T157 WeakPolarHBondContact OH-CG2 3.48Å; Y102-T157 PolarHBondContact OH-OG1 3.21Å; Y102-F159 AromaticContact CE2-CD2 3.97Å; Y102-F159 HydrophobicContact CE2-CD2 3.97Å; Y102-F159 HydrophobicContact CE2-CE2 4.01Å; Y102-F159 VanDerWaalsContact OH-CD2 3.3Å; Y102-F159 WeakPolarHBondContact OH-CD2 3.45Å; Y102-F159 VanDerWaalsContact OH-CE2 3.32Å; Y102-F159 WeakPolarHBondContact OH-CE2 3.45Å
103G91.4Very high92.3Very high34 Ų3437.6 Ų37.635%0.35119%0.188SC..Hα-helixtrans71.9-167.8-178.600000113.6K99 T105 G106 E107K99-G103 VanDerWaalsContact O-CA 3.22Å; K99-G103 WeakPolarHBondContact O-CA 3.32Å; K99-G103 PolarHBondContact O-N 2.92Å; G103-T105 VanDerWaalsContact C-N 3.28Å; G103-T105 PolarHBondContact O-N 3.48Å; G103-G106 PolarHBondContact O-N 3.05Å; G103-G106 VanDerWaalsContact O-N 3.16Å; G103-E107 PolarHBondContact O-N 3.18Å; G103-E107 VanDerWaalsContact O-N 3.08Å
104D91.1Very high92.2Very high91 Ų9135.3 Ų35.349%0.48718%0.18SC..Hα-helixtrans-63.3-31.9-173.9-57.7-34.8000112.8K99 E107 L108K99-D104 IonicContact NZ-OD1 3.81Å; K99-D104 PolarHBondContact NZ-OD1 3.46Å; D104-E107 WeakPolarHBondContact O-CB 3.3Å; D104-E107 PolarHBondContact O-N 3.4Å; D104-L108 WeakPolarHBondContact O-CG 3.45Å; D104-L108 PolarHBondContact O-N 3.18Å; D104-L108 VanDerWaalsContact O-N 3.11Å
105T90.6Very high92Very high15 Ų1540.5 Ų40.59%0.09220%0.204CC..Hα-helixtrans-64.1-43.2175.7-50.30000111.6G103 I109 L132 V147 T150G103-T105 VanDerWaalsContact C-N 3.28Å; G103-T105 PolarHBondContact O-N 3.48Å; T105-I109 HydrophobicContact CG2-CD1 4.27Å; T105-I109 WeakPolarHBondContact O-CD1 3.48Å; T105-I109 VanDerWaalsContact O-CG1 3.26Å; T105-I109 WeakPolarHBondContact O-CG1 3.47Å; T105-I109 PolarHBondContact O-N 3.35Å; T105-L132 HydrophobicContact CG2-CD1 4.09Å; T105-V147 HydrophobicContact CG2-CB 4.35Å; T105-V147 HydrophobicContact CG2-CG1 4.3Å; T105-V147 HydrophobicContact CG2-CG2 4.06Å; T105-T150 HydrophobicContact CG2-CG2 4.22Å; T105-T150 VanDerWaalsContact CG2-OG1 3.28Å; T105-T150 WeakPolarHBondContact CG2-OG1 3.4Å
106G90.7Very high91.6Very high0 Ų044.8 Ų44.80%022%0.219CC..Hα-helixtrans-70.8-34.2177.300000113.2G103 I109 I110G103-G106 PolarHBondContact O-N 3.05Å; G103-G106 VanDerWaalsContact O-N 3.16Å; G106-I109 PolarHBondContact O-N 3.18Å; G106-I110 WeakPolarHBondContact O-CG1 3.4Å; G106-I110 PolarHBondContact O-N 2.86Å
107E93.8Very high91.2Very high43 Ų4337.7 Ų37.720%0.20119%0.194CC..Hα-helixtrans-55.9-53.9172.4-173.1-179.5-175.600111.2I95 K99 G103 D104 I109 I110 E111I95-E107 HydrophobicContact CG2-CG 3.43Å; I95-E107 VanDerWaalsContact CG2-CG 3.43Å; K99-E107 HydrophobicContact CB-CB 3.94Å; K99-E107 HydrophobicContact CB-CG 4.06Å; K99-E107 WeakPolarHBondContact CD-OE2 3.36Å; K99-E107 HydrophobicContact CG-CB 4.36Å; K99-E107 VanDerWaalsContact CG-OE2 3.26Å; K99-E107 WeakPolarHBondContact CG-OE2 3.06Å; K99-E107 IonicContact NZ-OE2 3.07Å; K99-E107 PolarHBondContact NZ-OE2 3.49Å; G103-E107 PolarHBondContact O-N 3.18Å; G103-E107 VanDerWaalsContact O-N 3.08Å; D104-E107 WeakPolarHBondContact O-CB 3.3Å; D104-E107 PolarHBondContact O-N 3.4Å; E107-I109 PolarHBondContact O-N 3.21Å; E107-I110 PolarHBondContact O-N 3.31Å; E107-E111 WeakPolarHBondContact O-CB 3.37Å; E107-E111 PolarHBondContact O-N 2.92Å
108L91.3Very high90.8Very high14 Ų1438.9 Ų38.97%0.07320%0.199CC..Hα-helixtrans-67.2-35-177.9-70173.1000113.1D104 E111 E112 V128 L132D104-L108 WeakPolarHBondContact O-CG 3.45Å; D104-L108 PolarHBondContact O-N 3.18Å; D104-L108 VanDerWaalsContact O-N 3.11Å; L108-E111 PolarHBondContact O-N 3.47Å; L108-E112 WeakPolarHBondContact O-CB 3.21Å; L108-E112 WeakPolarHBondContact O-CG 3.46Å; L108-E112 PolarHBondContact O-N 3.26Å; L108-V128 HydrophobicContact CB-CG1 3.96Å; L108-V128 HydrophobicContact CB-CG2 4.32Å; L108-L132 HydrophobicContact CD1-CD1 4.24Å; L108-L132 HydrophobicContact CD1-CD2 3.32Å; L108-L132 HydrophobicContact CD1-CG 3.43Å; L108-L132 VanDerWaalsContact CD1-CG 3.43Å
109I91.9Very high90.4Very high0 Ų039.6 Ų39.60%020%0.202CC..Hα-helixtrans-59.8-48.3174.5-70.6166000110.3T105 G106 E107 L113 T124 V128 V147 F151 L154 L160T105-I109 HydrophobicContact CG2-CD1 4.27Å; T105-I109 WeakPolarHBondContact O-CD1 3.48Å; T105-I109 VanDerWaalsContact O-CG1 3.26Å; T105-I109 WeakPolarHBondContact O-CG1 3.47Å; T105-I109 PolarHBondContact O-N 3.35Å; G106-I109 PolarHBondContact O-N 3.18Å; E107-I109 PolarHBondContact O-N 3.21Å; I109-L113 HydrophobicContact CG2-CD1 4Å; I109-L113 WeakPolarHBondContact O-CB 3.34Å; I109-L113 VanDerWaalsContact O-CG 3.3Å; I109-L113 WeakPolarHBondContact O-CG 3.2Å; I109-L113 PolarHBondContact O-N 3.43Å; I109-L113 VanDerWaalsContact O-N 3.17Å; I109-T124 HydrophobicContact CG2-CG2 4.21Å; I109-V128 HydrophobicContact CG1-CG1 4.19Å; I109-V128 HydrophobicContact CG1-CG2 3.99Å; I109-V147 HydrophobicContact CD1-CG1 4.11Å; I109-V147 HydrophobicContact CG1-CG1 4.33Å; I109-F151 HydrophobicContact CD1-CB 4.28Å; I109-F151 HydrophobicContact CG2-CD2 3.92Å; I109-F151 HydrophobicContact CG2-CE2 4.36Å; I109-L154 HydrophobicContact CB-CD1 4.27Å; I109-L154 HydrophobicContact CD1-CD1 4.15Å; I109-L154 HydrophobicContact CG2-CD1 3.93Å; I109-L160 HydrophobicContact CG2-CD1 4.29Å
110I93.1Very high90Very high0 Ų036.9 Ų36.90%019%0.192CC..Hα-helixtrans-70.4-39.9-179.6-65-63.3000110.9I95 A98 G106 E107 L113 L114 L160 V251 F256I95-I110 HydrophobicContact CG1-CG2 4.46Å; A98-I110 HydrophobicContact CB-CB 4.05Å; A98-I110 HydrophobicContact CB-CG1 3.71Å; A98-I110 HydrophobicContact CB-CG2 4.48Å; G106-I110 WeakPolarHBondContact O-CG1 3.4Å; G106-I110 PolarHBondContact O-N 2.86Å; E107-I110 PolarHBondContact O-N 3.31Å; I110-L113 PolarHBondContact O-N 3.36Å; I110-L114 HydrophobicContact CG2-CD1 3.69Å; I110-L114 HydrophobicContact CG2-CG 4.11Å; I110-L114 WeakPolarHBondContact O-CB 3.34Å; I110-L114 VanDerWaalsContact O-CG 3.23Å; I110-L114 WeakPolarHBondContact O-CG 3.22Å; I110-L114 PolarHBondContact O-N 3.38Å; I110-L160 HydrophobicContact CD1-CD2 3.76Å; I110-L160 HydrophobicContact CD1-CG 4.5Å; I110-V251 HydrophobicContact CD1-CG1 4.42Å; I110-V251 HydrophobicContact CD1-CG2 4.16Å; I110-F256 HydrophobicContact CD1-CZ 4.34Å; I110-F256 HydrophobicContact CG1-CZ 4.49Å; I110-F256 HydrophobicContact CG2-CZ 4.49Å
111E92.9Very high89.6Confident30 Ų3032.6 Ų32.614%0.1417%0.166CC..Hα-helixtrans-57-51.2175.5-174.2-169147.800111.6I95 E107 L108 L113 L114 Q115 R131I95-E111 HydrophobicContact CD1-CB 4.28Å; I95-E111 HydrophobicContact CD1-CG 4.21Å; I95-E111 HydrophobicContact CG1-CB 4.43Å; E107-E111 WeakPolarHBondContact O-CB 3.37Å; E107-E111 PolarHBondContact O-N 2.92Å; L108-E111 PolarHBondContact O-N 3.47Å; E111-L113 VanDerWaalsContact C-N 3.35Å; E111-L113 PolarHBondContact O-N 3.17Å; E111-L114 PolarHBondContact O-N 3.02Å; E111-Q115 HydrophobicContact CG-CG 4.38Å; E111-Q115 VanDerWaalsContact CG-NE2 3.28Å; E111-Q115 WeakPolarHBondContact O-CB 3.34Å; E111-Q115 WeakPolarHBondContact O-CG 3.43Å; E111-Q115 PolarHBondContact O-N 2.98Å; E111-Q115 PolarHBondContact OE1-NE2 3.08Å; E111-R131 IonicContact OE1-CZ 2.7Å; E111-R131 IonicContact OE1-NH1 2.72Å; E111-R131 PolarHBondContact OE1-NH1 2.88Å; E111-R131 IonicContact OE1-NH2 2.75Å; E111-R131 PolarHBondContact OE1-NH2 2.9Å; E111-R131 IonicContact OE2-NH1 3.44Å; E111-R131 IonicContact OE2-NH2 2.68Å
112E90Very high89.4Confident4 Ų429.6 Ų29.62%0.01915%0.151CC..Hα-helixtrans-62-41.6179.6-73.6-66.1147.200111.9L108 Q115 R116 V128 R131L108-E112 WeakPolarHBondContact O-CB 3.21Å; L108-E112 WeakPolarHBondContact O-CG 3.46Å; L108-E112 PolarHBondContact O-N 3.26Å; E112-Q115 PolarHBondContact O-N 3.3Å; E112-R116 WeakPolarHBondContact O-CB 3.26Å; E112-R116 PolarHBondContact O-N 2.99Å; E112-R116 WeakPolarHBondContact OE2-CD 3.39Å; E112-R116 IonicContact OE2-CZ 3.47Å; E112-R116 IonicContact OE2-NE 3.28Å; E112-R116 PolarHBondContact OE2-NE 3.37Å; E112-R116 IonicContact OE2-NH2 3.73Å; E112-R116 PolarHBondContact OE2-NH2 2.91Å; E112-V128 HydrophobicContact CG-CG2 4.06Å; E112-R131 WeakPolarHBondContact OE1-CD 3.43Å; E112-R131 IonicContact OE1-CZ 3.7Å; E112-R131 IonicContact OE1-NE 2.92Å; E112-R131 IonicContact OE1-NH1 3.38Å; E112-R131 PolarHBondContact OE1-NH1 3.41Å
113L90.7Very high89.2Confident4 Ų429.4 Ų29.42%0.02116%0.157CC..Hα-helixtrans-67.5-35.4177.8-72.8170.4000112.7I109 I110 E111 G117 M119 T124 L160 V251I109-L113 HydrophobicContact CG2-CD1 4Å; I109-L113 WeakPolarHBondContact O-CB 3.34Å; I109-L113 VanDerWaalsContact O-CG 3.3Å; I109-L113 WeakPolarHBondContact O-CG 3.2Å; I109-L113 PolarHBondContact O-N 3.43Å; I109-L113 VanDerWaalsContact O-N 3.17Å; I110-L113 PolarHBondContact O-N 3.36Å; E111-L113 VanDerWaalsContact C-N 3.35Å; E111-L113 PolarHBondContact O-N 3.17Å; L113-G117 CarbonylContact O-C 3.54Å; L113-G117 WeakPolarHBondContact O-CA 3.42Å; L113-G117 PolarHBondContact O-N 3.23Å; L113-G117 VanDerWaalsContact O-O 3.05Å; L113-M119 HydrophobicContact CD2-CB 3.92Å; L113-M119 HydrophobicContact CD2-CG 4.43Å; L113-T124 HydrophobicContact CG-CG2 4.38Å; L113-L160 HydrophobicContact CD1-CD1 4.23Å; L113-L160 HydrophobicContact CD1-CD2 3.39Å; L113-L160 HydrophobicContact CD1-CG 4.46Å; L113-V251 HydrophobicContact CB-CG2 3.82Å; L113-V251 HydrophobicContact CD1-CG2 4.48Å
114L90.6Very high88.9Confident6 Ų627.8 Ų27.83%0.03114%0.14CC..Hα-helixtrans-73.4-39.8176.1-68.4175.2000111.9Y91 Y94 I95 I110 E111 V251 F253Y91-L114 HydrophobicContact CD1-CD1 4.21Å; Y91-L114 HydrophobicContact CD1-CD2 4.03Å; Y91-L114 HydrophobicContact CD2-CB 4.01Å; Y91-L114 HydrophobicContact CE1-CD2 3.79Å; Y91-L114 HydrophobicContact CE2-CB 4.02Å; Y91-L114 HydrophobicContact CE2-CD2 4.45Å; Y91-L114 HydrophobicContact CG-CB 4.38Å; Y91-L114 HydrophobicContact CG-CD1 4.06Å; Y91-L114 HydrophobicContact CG-CD2 4.45Å; Y94-L114 HydrophobicContact CD2-CD1 4.31Å; I95-L114 HydrophobicContact CD1-CD1 4.39Å; I95-L114 HydrophobicContact CG1-CD1 3.98Å; I110-L114 HydrophobicContact CG2-CD1 3.69Å; I110-L114 HydrophobicContact CG2-CG 4.11Å; I110-L114 WeakPolarHBondContact O-CB 3.34Å; I110-L114 VanDerWaalsContact O-CG 3.23Å; I110-L114 WeakPolarHBondContact O-CG 3.22Å; I110-L114 PolarHBondContact O-N 3.38Å; E111-L114 PolarHBondContact O-N 3.02Å; L114-V251 HydrophobicContact CD2-CB 4.06Å; L114-V251 HydrophobicContact CD2-CG1 4.34Å; L114-V251 HydrophobicContact CD2-CG2 3.78Å; L114-V251 HydrophobicContact CG-CG2 4.09Å; L114-F253 HydrophobicContact CD2-CE1 3.74Å; L114-F253 HydrophobicContact CD2-CZ 4.07Å
115Q88.6Confident88.8Confident109 Ų10923.5 Ų23.551%0.50912%0.117SC..Hα-helixtrans-75.5-31.2-178.9-73.7179.47.800113.9H60 E111 E112H60-Q115 PolarHBondContact CE1-O 3.32Å; E111-Q115 HydrophobicContact CG-CG 4.38Å; E111-Q115 VanDerWaalsContact CG-NE2 3.28Å; E111-Q115 WeakPolarHBondContact O-CB 3.34Å; E111-Q115 WeakPolarHBondContact O-CG 3.43Å; E111-Q115 PolarHBondContact O-N 2.98Å; E111-Q115 PolarHBondContact OE1-NE2 3.08Å; E112-Q115 PolarHBondContact O-N 3.3Å
116R86.1Confident88.6Confident122 Ų12225.1 Ų25.146%0.4612%0.123SC..Hα-helixtrans-106.8-12.9-179.1-61.5-179-174.1-124.67.4113.5Q59 E112 M119Q59-R116 WeakPolarHBondContact CG-O 3.41Å; Q59-R116 PolarHBondContact NE2-O 3.47Å; E112-R116 WeakPolarHBondContact O-CB 3.26Å; E112-R116 PolarHBondContact O-N 2.99Å; E112-R116 WeakPolarHBondContact OE2-CD 3.39Å; E112-R116 IonicContact OE2-CZ 3.47Å; E112-R116 IonicContact OE2-NE 3.28Å; E112-R116 PolarHBondContact OE2-NE 3.37Å; E112-R116 IonicContact OE2-NH2 3.73Å; E112-R116 PolarHBondContact OE2-NH2 2.91Å; R116-M119 HydrophobicContact CB-CG 4.05Å; R116-M119 HydrophobicContact CB-SD 3.61Å; R116-M119 WeakPolarHBondContact CD-SD 3.22Å; R116-M119 HydrophobicContact CG-SD 4.1Å
117G85.8Confident88.4Confident10 Ų1026.2 Ų26.210%0.10313%0.13CC..  trans76.5-127.1-177.500000112.4Q59 L113 M119Q59-G117 WeakPolarHBondContact O-CA 3.38Å; L113-G117 CarbonylContact O-C 3.54Å; L113-G117 WeakPolarHBondContact O-CA 3.42Å; L113-G117 PolarHBondContact O-N 3.23Å; L113-G117 VanDerWaalsContact O-O 3.05Å; G117-M119 PolarHBondContact O-N 3.5Å
118H84.8Confident88.1Confident36 Ų3624.2 Ų24.217%0.16712%0.12CC..SBendtrans-72.2115.8-176-60.8-47.3000112.7V58 Q59 C163 Y248 Q250V58-H118 PolarHBondContact O-CD2 3.05Å; V58-H118 PolarHBondContact O-NE2 3.38Å; Q59-H118 PolarHBondContact NE2-O 3.24Å; Q59-H118 PolarHBondContact O-CD2 2.96Å; Q59-H118 PolarHBondContact O-N 3.48Å; H118-C163 PolarHBondContact ND1-SG 3.26Å; H118-Y248 HydrophobicContact CB-CD1 4.33Å; H118-Y248 HydrophobicContact CB-CG 4.46Å; H118-Q250 PolarHBondContact CE1-OE1 3.34Å
119M84.9Confident87.9Confident15 Ų1523.5 Ų23.57%0.07412%0.117CC..BIsolated β-bridgetrans-132.3157.5179.7-64.5-167.272.200113.3L113 R116 G117 S123 Y248 W249L113-M119 HydrophobicContact CD2-CB 3.92Å; L113-M119 HydrophobicContact CD2-CG 4.43Å; R116-M119 HydrophobicContact CB-CG 4.05Å; R116-M119 HydrophobicContact CB-SD 3.61Å; R116-M119 WeakPolarHBondContact CD-SD 3.22Å; R116-M119 HydrophobicContact CG-SD 4.1Å; G117-M119 PolarHBondContact O-N 3.5Å; M119-S123 WeakPolarHBondContact CE-OG 3.17Å; M119-Y248 CarbonylContact O-C 3.57Å; M119-Y248 WeakPolarHBondContact O-CA 3.15Å; M119-W249 PolarHBondContact N-O 3.45Å; M119-W249 PolarHBondContact O-N 3.44Å
120T87.9Confident87.7Confident25 Ų2525.2 Ų25.215%0.15313%0.126CC..  trans-81.5156.9170.965.90000110.8S122 S123 T124 D244 Y248T120-S122 VanDerWaalsContact C-N 3.35Å; T120-S122 PolarHBondContact O-N 3.14Å; T120-S122 PolarHBondContact OG1-OG 3.49Å; T120-S123 PolarHBondContact O-N 3.02Å; T120-S123 WeakPolarHBondContact OG1-CB 3.4Å; T120-S123 PolarHBondContact OG1-N 2.98Å; T120-T124 PolarHBondContact O-N 3.19Å; T120-T124 VanDerWaalsContact O-N 3.09Å; T120-T124 PolarHBondContact O-OG1 3.45Å; T120-T124 VanDerWaalsContact O-OG1 3.12Å; T120-D244 WeakPolarHBondContact CB-OD2 3.41Å; T120-Y248 HydrophobicContact CG2-CD1 4.28Å; T120-Y248 HydrophobicContact CG2-CE1 4.14Å
121M84.3Confident87.3Confident2 Ų228.9 Ų28.91%0.0114%0.14CC..Hα-helixtrans-63.1-43.2-179.3-176.5178.7-177.800111.1S123 T124 V125 S148 F151 V208 L211 D244M121-S123 PolarHBondContact O-N 3.4Å; M121-T124 PolarHBondContact O-N 2.96Å; M121-V125 HydrophobicContact CG-CG2 4.32Å; M121-V125 WeakPolarHBondContact O-CB 3.18Å; M121-V125 VanDerWaalsContact O-CG2 3.27Å; M121-V125 WeakPolarHBondContact O-CG2 3.21Å; M121-V125 PolarHBondContact O-N 2.97Å; M121-S148 WeakPolarHBondContact CE-OG 3.26Å; M121-F151 HydrophobicContact CB-CE1 4.25Å; M121-F151 HydrophobicContact CB-CZ 4.22Å; M121-F151 HydrophobicContact CE-CB 4.26Å; M121-F151 HydrophobicContact CE-CD1 3.59Å; M121-F151 HydrophobicContact CE-CE1 4.23Å; M121-F151 HydrophobicContact CE-CG 4.12Å; M121-F151 HydrophobicContact CG-CD1 3.91Å; M121-F151 HydrophobicContact CG-CE1 3.76Å; M121-F151 HydrophobicContact CG-CE2 4.45Å; M121-F151 HydrophobicContact CG-CG 4.32Å; M121-F151 HydrophobicContact CG-CZ 4.05Å; M121-F151 HydrophobicContact SD-CD1 3.94Å; M121-F151 HydrophobicContact SD-CE1 3.95Å; M121-V208 HydrophobicContact CE-CG1 3.74Å; M121-V208 HydrophobicContact SD-CG1 3.71Å; M121-L211 HydrophobicContact CB-CD1 4.21Å; M121-L211 HydrophobicContact CG-CD1 4.4Å; M121-L211 HydrophobicContact SD-CD1 3.98Å; M121-D244 PolarHBondContact N-OD2 3.02Å; M121-D244 VanDerWaalsContact N-OD2 3.17Å
122S85.9Confident87Confident13 Ų1328.1 Ų28.19%0.09114%0.137CC..Hα-helixtrans-57.7-46.6177.7550000112.5T120 K126 H242 D244T120-S122 VanDerWaalsContact C-N 3.35Å; T120-S122 PolarHBondContact O-N 3.14Å; T120-S122 PolarHBondContact OG1-OG 3.49Å; S122-K126 WeakPolarHBondContact O-CB 3.39Å; S122-K126 PolarHBondContact O-N 2.99Å; S122-H242 VanDerWaalsContact CB-CB 3.46Å; S122-D244 WeakPolarHBondContact CB-OD1 3.4Å; S122-D244 VanDerWaalsContact CB-OD2 3.28Å; S122-D244 WeakPolarHBondContact CB-OD2 3.28Å; S122-D244 PolarHBondContact N-OD2 2.95Å; S122-D244 PolarHBondContact OG-OD1 3.09Å; S122-D244 PolarHBondContact OG-OD2 2.97Å
123S86.5Confident86.8Confident45 Ų4528 Ų2832%0.31514%0.136SC..Hα-helixtrans-66.7-42.3179.7-1730000111.7M119 T120 M121 K126 T127M119-S123 WeakPolarHBondContact CE-OG 3.17Å; T120-S123 PolarHBondContact O-N 3.02Å; T120-S123 WeakPolarHBondContact OG1-CB 3.4Å; T120-S123 PolarHBondContact OG1-N 2.98Å; M121-S123 PolarHBondContact O-N 3.4Å; S123-K126 PolarHBondContact O-N 3.44Å; S123-T127 WeakPolarHBondContact O-CG2 2.96Å; S123-T127 PolarHBondContact O-N 3.33Å; S123-T127 PolarHBondContact O-OG1 2.78Å; S123-T127 VanDerWaalsContact O-OG1 3.1Å
124T85.9Confident86.4Confident0 Ų032.5 Ų32.50%016%0.157CC..Hα-helixtrans-65.7-44.4178.8-58.40000111.4I109 L113 T120 M121 K126 T127 V128 F151I109-T124 HydrophobicContact CG2-CG2 4.21Å; L113-T124 HydrophobicContact CG-CG2 4.38Å; T120-T124 PolarHBondContact O-N 3.19Å; T120-T124 VanDerWaalsContact O-N 3.09Å; T120-T124 PolarHBondContact O-OG1 3.45Å; T120-T124 VanDerWaalsContact O-OG1 3.12Å; M121-T124 PolarHBondContact O-N 2.96Å; T124-K126 VanDerWaalsContact C-N 3.33Å; T124-K126 PolarHBondContact O-N 2.68Å; T124-T127 PolarHBondContact O-N 3.19Å; T124-T127 PolarHBondContact O-OG1 2.92Å; T124-T127 VanDerWaalsContact O-OG1 3.08Å; T124-V128 HydrophobicContact CG2-CG2 4.18Å; T124-V128 WeakPolarHBondContact O-CB 3.38Å; T124-V128 WeakPolarHBondContact O-CG2 3.27Å; T124-V128 PolarHBondContact O-N 2.89Å; T124-F151 HydrophobicContact CG2-CE2 4.39Å
125V87.6Confident85.9Confident1 Ų138.6 Ų38.61%0.00619%0.189CC..Hα-helixtrans-61.1-43.4178.3169.20000110.9M121 A129 Y144 V147 L213M121-V125 HydrophobicContact CG-CG2 4.32Å; M121-V125 WeakPolarHBondContact O-CB 3.18Å; M121-V125 VanDerWaalsContact O-CG2 3.27Å; M121-V125 WeakPolarHBondContact O-CG2 3.21Å; M121-V125 PolarHBondContact O-N 2.97Å; V125-A129 VanDerWaalsContact O-CB 3.22Å; V125-A129 WeakPolarHBondContact O-CB 3.36Å; V125-A129 PolarHBondContact O-N 2.8Å; V125-Y144 HydrophobicContact CG1-CD1 4.35Å; V125-Y144 HydrophobicContact CG1-CG 4Å; V125-V147 HydrophobicContact CB-CG1 4.33Å; V125-V147 HydrophobicContact CG1-CB 4.17Å; V125-V147 HydrophobicContact CG1-CG1 4.22Å; V125-V147 HydrophobicContact CG2-CG1 4.14Å; V125-L213 HydrophobicContact CB-CD1 4.05Å; V125-L213 HydrophobicContact CG1-CD1 4.14Å; V125-L213 HydrophobicContact CG2-CD1 4.03Å
126K87.6Confident85.5Confident48 Ų4836.5 Ų36.521%0.20918%0.181CC..Hα-helixtrans-61.7-52.1177.6-176.7171.9178.5176.30111.7S122 S123 T124 V128 A129 D130 D238S122-K126 WeakPolarHBondContact O-CB 3.39Å; S122-K126 PolarHBondContact O-N 2.99Å; S123-K126 PolarHBondContact O-N 3.44Å; T124-K126 VanDerWaalsContact C-N 3.33Å; T124-K126 PolarHBondContact O-N 2.68Å; K126-V128 PolarHBondContact O-N 3.42Å; K126-A129 PolarHBondContact O-N 2.89Å; K126-D130 WeakPolarHBondContact O-CB 3.18Å; K126-D130 PolarHBondContact O-N 3.48Å; K126-D238 IonicContact NZ-OD2 3.77Å; K126-D238 PolarHBondContact NZ-OD2 2.75Å
127T86.3Confident85Confident24 Ų2438.3 Ų38.315%0.14719%0.194CC..Hα-helixtrans-64.5-39.9-178.153.40000112.6S123 T124 D130 R131S123-T127 WeakPolarHBondContact O-CG2 2.96Å; S123-T127 PolarHBondContact O-N 3.33Å; S123-T127 PolarHBondContact O-OG1 2.78Å; S123-T127 VanDerWaalsContact O-OG1 3.1Å; T124-T127 PolarHBondContact O-N 3.19Å; T124-T127 PolarHBondContact O-OG1 2.92Å; T124-T127 VanDerWaalsContact O-OG1 3.08Å; T127-D130 PolarHBondContact O-N 3.36Å; T127-R131 WeakPolarHBondContact O-CG 3.38Å; T127-R131 PolarHBondContact O-N 2.95Å
128V87.4Confident84.1Confident0 Ų046.4 Ų46.40%023%0.23CC..Hα-helixtrans-67.9-44.4178.91710000110.9L108 I109 E112 T124 K126 D130 R131 L132 V147L108-V128 HydrophobicContact CB-CG1 3.96Å; L108-V128 HydrophobicContact CB-CG2 4.32Å; I109-V128 HydrophobicContact CG1-CG1 4.19Å; I109-V128 HydrophobicContact CG1-CG2 3.99Å; E112-V128 HydrophobicContact CG-CG2 4.06Å; T124-V128 HydrophobicContact CG2-CG2 4.18Å; T124-V128 WeakPolarHBondContact O-CB 3.38Å; T124-V128 WeakPolarHBondContact O-CG2 3.27Å; T124-V128 PolarHBondContact O-N 2.89Å; K126-V128 PolarHBondContact O-N 3.42Å; V128-D130 VanDerWaalsContact C-N 3.32Å; V128-D130 PolarHBondContact O-N 2.92Å; V128-R131 PolarHBondContact O-N 3.49Å; V128-L132 HydrophobicContact CG1-CD1 3.73Å; V128-L132 HydrophobicContact CG1-CG 4.34Å; V128-L132 WeakPolarHBondContact O-CB 3.25Å; V128-L132 WeakPolarHBondContact O-CG 3.49Å; V128-L132 PolarHBondContact O-N 3.28Å; V128-V147 HydrophobicContact CB-CG1 4.07Å; V128-V147 HydrophobicContact CG1-CG1 3.83Å; V128-V147 HydrophobicContact CG1-CG2 4.4Å
129A86.8Confident83.1Confident0 Ų048.3 Ų48.30%026%0.259CS..Hα-helixtrans-64.5-37.4177.300000112.3V125 K126 T133 Y144 V147V125-A129 VanDerWaalsContact O-CB 3.22Å; V125-A129 WeakPolarHBondContact O-CB 3.36Å; V125-A129 PolarHBondContact O-N 2.8Å; K126-A129 PolarHBondContact O-N 2.89Å; A129-T133 VanDerWaalsContact O-CB 3.26Å; A129-T133 WeakPolarHBondContact O-CB 3.47Å; A129-T133 PolarHBondContact O-N 3.45Å; A129-T133 PolarHBondContact O-OG1 3.4Å; A129-Y144 HydrophobicContact CB-CD1 3.36Å; A129-Y144 HydrophobicContact CB-CE1 3.29Å; A129-V147 HydrophobicContact CB-CG2 4.3Å
130D87.3Confident82.6Confident35 Ų3552.9 Ų52.919%0.18728%0.28CS..Hα-helixtrans-64.2-46.8174.6-67.4-16.1000110.9K126 T127 V128 T133 Q134 G217 K218K126-D130 WeakPolarHBondContact O-CB 3.18Å; K126-D130 PolarHBondContact O-N 3.48Å; T127-D130 PolarHBondContact O-N 3.36Å; V128-D130 VanDerWaalsContact C-N 3.32Å; V128-D130 PolarHBondContact O-N 2.92Å; D130-T133 PolarHBondContact O-N 3.48Å; D130-Q134 WeakPolarHBondContact O-CG 3.19Å; D130-Q134 PolarHBondContact O-N 3.23Å; D130-G217 WeakPolarHBondContact OD1-CA 3.21Å; D130-K218 PolarHBondContact OD1-N 2.89Å
131R86.3Confident82Confident78 Ų7853.4 Ų53.429%0.29428%0.284SS..Hα-helixtrans-64.3-42.6176.9-74.5-173.974-172.8-3.1112.9E111 E112 T127 V128 T133 Q134 N135E111-R131 IonicContact OE1-CZ 2.7Å; E111-R131 IonicContact OE1-NH1 2.72Å; E111-R131 PolarHBondContact OE1-NH1 2.88Å; E111-R131 IonicContact OE1-NH2 2.75Å; E111-R131 PolarHBondContact OE1-NH2 2.9Å; E111-R131 IonicContact OE2-NH1 3.44Å; E111-R131 IonicContact OE2-NH2 2.68Å; E112-R131 WeakPolarHBondContact OE1-CD 3.43Å; E112-R131 IonicContact OE1-CZ 3.7Å; E112-R131 IonicContact OE1-NE 2.92Å; E112-R131 IonicContact OE1-NH1 3.38Å; E112-R131 PolarHBondContact OE1-NH1 3.41Å; T127-R131 WeakPolarHBondContact O-CG 3.38Å; T127-R131 PolarHBondContact O-N 2.95Å; V128-R131 PolarHBondContact O-N 3.49Å; R131-T133 VanDerWaalsContact C-N 3.32Å; R131-T133 PolarHBondContact O-N 3.49Å; R131-Q134 WeakPolarHBondContact O-CB 3.38Å; R131-Q134 PolarHBondContact O-N 3.43Å; R131-N135 PolarHBondContact O-N 2.88Å
132L85.1Confident81.9Confident14 Ų1454.3 Ų54.37%0.07329%0.289CS..Hα-helixtrans-62.9-41.3176.5-78.7168.5000111.5T105 L108 V128 Q134 N135 M136 M142 V147T105-L132 HydrophobicContact CG2-CD1 4.09Å; L108-L132 HydrophobicContact CD1-CD1 4.24Å; L108-L132 HydrophobicContact CD1-CD2 3.32Å; L108-L132 HydrophobicContact CD1-CG 3.43Å; L108-L132 VanDerWaalsContact CD1-CG 3.43Å; V128-L132 HydrophobicContact CG1-CD1 3.73Å; V128-L132 HydrophobicContact CG1-CG 4.34Å; V128-L132 WeakPolarHBondContact O-CB 3.25Å; V128-L132 WeakPolarHBondContact O-CG 3.49Å; V128-L132 PolarHBondContact O-N 3.28Å; L132-Q134 PolarHBondContact O-N 3.18Å; L132-N135 PolarHBondContact O-N 3Å; L132-M136 WeakPolarHBondContact O-CG 3.29Å; L132-M136 PolarHBondContact O-N 2.89Å; L132-M142 HydrophobicContact CB-CB 4.02Å; L132-M142 HydrophobicContact CB-CE 4.31Å; L132-M142 HydrophobicContact CB-CG 4.14Å; L132-M142 HydrophobicContact CD1-CE 4.13Å; L132-M142 HydrophobicContact CD1-CG 3.9Å; L132-M142 HydrophobicContact CD1-SD 4.47Å; L132-V147 HydrophobicContact CD1-CG2 4.37Å
133T85.8Confident81.8Confident1 Ų156.6 Ų56.61%0.00630%0.3CS..Hα-helixtrans-65.9-27.2179.5-58.40000112.3A129 D130 R131 N135 M142 R219A129-T133 VanDerWaalsContact O-CB 3.26Å; A129-T133 WeakPolarHBondContact O-CB 3.47Å; A129-T133 PolarHBondContact O-N 3.45Å; A129-T133 PolarHBondContact O-OG1 3.4Å; D130-T133 PolarHBondContact O-N 3.48Å; R131-T133 VanDerWaalsContact C-N 3.32Å; R131-T133 PolarHBondContact O-N 3.49Å; T133-N135 VanDerWaalsContact C-N 3.34Å; T133-M142 PolarHBondContact OG1-N 3.5Å; T133-M142 VanDerWaalsContact OG1-N 3.07Å; T133-R219 HydrophobicContact CG2-CG 3.58Å
134Q82.1Confident81.7Confident99 Ų9955.7 Ų55.746%0.46329%0.29SS..Hα-helixtrans-69.9-30.2172.6-69.5172.67.900112.8D130 R131 L132D130-Q134 WeakPolarHBondContact O-CG 3.19Å; D130-Q134 PolarHBondContact O-N 3.23Å; R131-Q134 WeakPolarHBondContact O-CB 3.38Å; R131-Q134 PolarHBondContact O-N 3.43Å; L132-Q134 PolarHBondContact O-N 3.18Å
135N80.1Confident81.6Confident133 Ų13359.3 Ų59.371%0.71132%0.315SS*.Hα-helixtrans-85.3-7179.5-67.2-13.9000113.4R131 L132 T133R131-N135 PolarHBondContact O-N 2.88Å; L132-N135 PolarHBondContact O-N 3Å; T133-N135 VanDerWaalsContact C-N 3.34Å
136M80.9Confident81.5Confident66 Ų6664 Ų6433%0.32534%0.337SS..SBendtrans-94.8148.8-179-67.6-179.488.900112.9L132 H140 M142 R219L132-M136 WeakPolarHBondContact O-CG 3.29Å; L132-M136 PolarHBondContact O-N 2.89Å; M136-H140 HydrophobicContact CB-CB 4.28Å; M136-H140 HydrophobicContact CE-CB 3.67Å; M136-H140 HydrophobicContact SD-CB 4.34Å; M136-M142 HydrophobicContact SD-CE 4.01Å; M136-R219 PolarHBondContact O-NH1 2.94Å; M136-R219 PolarHBondContact O-NH2 3.37Å; M136-R219 VanDerWaalsContact O-NH2 3.15Å
137E75.1Confident81.5Confident160 Ų16061.8 Ų61.875%0.74833%0.327SS*.PPolyproline II helixtrans-55.3148.3174.3-64.4-178177.400112.8G139 H140 R219E137-G139 PolarHBondContact O-N 3.22Å; E137-H140 PolarHBondContact O-N 3.11Å; E137-R219 PolarHBondContact O-NH2 3.47Å
138E66.6Low81.5Confident180 Ų18061.4 Ų61.484%0.84133%0.326SS*.THydrogen-bonded Turntrans-47.9124.2-180-68.3-173.3169.600113.5R219E138-R219 VanDerWaalsContact CA-NH1 3.28Å
139G65.6Low81.6Confident76 Ų7663.8 Ų63.878%0.78434%0.343SS*.THydrogen-bonded Turntrans102.5-16.8-179.900000115.7E137E137-G139 PolarHBondContact O-N 3.22Å
140H73.6Confident81.7Confident110 Ų11064.5 Ų64.551%0.50935%0.347SS..  trans-95.6134.8175.2-64.183.6000111.4M136 E137 R219M136-H140 HydrophobicContact CB-CB 4.28Å; M136-H140 HydrophobicContact CE-CB 3.67Å; M136-H140 HydrophobicContact SD-CB 4.34Å; E137-H140 PolarHBondContact O-N 3.11Å; H140-R219 PolarHBondContact O-NH2 3.32Å
141S76.2Confident81.8Confident36 Ų3662.9 Ų62.925%0.25234%0.338SS..  trans-127.6139.817660.80000109.8D143 R216S141-D143 PolarHBondContact O-N 2.81Å; S141-R216 VanDerWaalsContact OG-CD 3.26Å; S141-R216 WeakPolarHBondContact OG-CD 3.46Å
142M80.6Confident81.9Confident21 Ų2160.4 Ų60.410%0.10333%0.333CS..  trans-74.4127.1174.6-171.558.262.600109.8L132 T133 M136 E146 V147 G217L132-M142 HydrophobicContact CB-CB 4.02Å; L132-M142 HydrophobicContact CB-CE 4.31Å; L132-M142 HydrophobicContact CB-CG 4.14Å; L132-M142 HydrophobicContact CD1-CE 4.13Å; L132-M142 HydrophobicContact CD1-CG 3.9Å; L132-M142 HydrophobicContact CD1-SD 4.47Å; T133-M142 PolarHBondContact OG1-N 3.5Å; T133-M142 VanDerWaalsContact OG1-N 3.07Å; M136-M142 HydrophobicContact SD-CE 4.01Å; M142-E146 HydrophobicContact SD-CB 4.35Å; M142-E146 HydrophobicContact SD-CG 4.5Å; M142-V147 HydrophobicContact CG-CG2 3.83Å; M142-G217 PolarHBondContact O-N 3.04Å
143D84.3Confident82Confident61 Ų6165 Ų6533%0.32635%0.352SS..BIsolated β-bridgetrans-80.1138.8176.6-72.2-30.4000110.1S141 S145 E146 R216S141-D143 PolarHBondContact O-N 2.81Å; D143-S145 PolarHBondContact O-N 2.9Å; D143-E146 PolarHBondContact O-N 3.31Å; D143-R216 WeakPolarHBondContact OD1-CG 3.4Å; D143-R216 IonicContact OD1-CZ 3.9Å; D143-R216 IonicContact OD1-NE 2.78Å; D143-R216 PolarHBondContact OD1-NE 2.63Å; D143-R216 IonicContact OD1-NH2 3.51Å
144Y85.1Confident82.1Confident26 Ų2665 Ų6510%0.10235%0.352CS..Hα-helixtrans-63.8-22.7179.8-68.8-1.7000112.9V125 A129 S148 G215 R216V125-Y144 HydrophobicContact CG1-CD1 4.35Å; V125-Y144 HydrophobicContact CG1-CG 4Å; A129-Y144 HydrophobicContact CB-CD1 3.36Å; A129-Y144 HydrophobicContact CB-CE1 3.29Å; Y144-S148 WeakPolarHBondContact O-CB 3.29Å; Y144-S148 PolarHBondContact O-N 3.33Å; Y144-G215 WeakPolarHBondContact CB-O 3.27Å; Y144-G215 VanDerWaalsContact CG-C 3.48Å; Y144-G215 VanDerWaalsContact CG-O 3.25Å; Y144-G215 PolarHBondContact N-O 3.36Å; Y144-R216 PolarHBondContact OH-O 3.29Å
145S84.2Confident82.4Confident76 Ų7660.2 Ų60.253%0.53133%0.33SS..Hα-helixtrans-65.1-40.2177.955.20000112.6D143 S148 S149D143-S145 PolarHBondContact O-N 2.9Å; S145-S148 PolarHBondContact O-N 3.47Å; S145-S149 WeakPolarHBondContact O-CB 3.31Å; S145-S149 PolarHBondContact O-N 2.86Å
146E84.9Confident82.7Confident101 Ų10160.4 Ų60.447%0.47233%0.326SS..Hα-helixtrans-67.9-45.2179.4-173.8174.1175.300110.9M142 D143 S148 S149 T150M142-E146 HydrophobicContact SD-CB 4.35Å; M142-E146 HydrophobicContact SD-CG 4.5Å; D143-E146 PolarHBondContact O-N 3.31Å; E146-S148 VanDerWaalsContact C-N 3.35Å; E146-S148 PolarHBondContact O-N 3.15Å; E146-S149 PolarHBondContact O-N 3.35Å; E146-S149 PolarHBondContact O-OG 3.26Å; E146-T150 PolarHBondContact O-N 3.25Å; E146-T150 PolarHBondContact O-OG1 2.98Å
147V86.9Confident82.9Confident0 Ų059.7 Ų59.70%033%0.326CS..Hα-helixtrans-63.9-40.3175.5-173.30000111T105 I109 V125 V128 A129 L132 M142 S149 T150 F151T105-V147 HydrophobicContact CG2-CB 4.35Å; T105-V147 HydrophobicContact CG2-CG1 4.3Å; T105-V147 HydrophobicContact CG2-CG2 4.06Å; I109-V147 HydrophobicContact CD1-CG1 4.11Å; I109-V147 HydrophobicContact CG1-CG1 4.33Å; V125-V147 HydrophobicContact CB-CG1 4.33Å; V125-V147 HydrophobicContact CG1-CB 4.17Å; V125-V147 HydrophobicContact CG1-CG1 4.22Å; V125-V147 HydrophobicContact CG2-CG1 4.14Å; V128-V147 HydrophobicContact CB-CG1 4.07Å; V128-V147 HydrophobicContact CG1-CG1 3.83Å; V128-V147 HydrophobicContact CG1-CG2 4.4Å; A129-V147 HydrophobicContact CB-CG2 4.3Å; L132-V147 HydrophobicContact CD1-CG2 4.37Å; M142-V147 HydrophobicContact CG-CG2 3.83Å; V147-S149 VanDerWaalsContact C-N 3.35Å; V147-S149 PolarHBondContact O-N 3.36Å; V147-T150 WeakPolarHBondContact CA-OG1 3.5Å; V147-T150 PolarHBondContact O-N 3.24Å; V147-T150 PolarHBondContact O-OG1 3.49Å; V147-F151 WeakPolarHBondContact O-CB 3.34Å; V147-F151 PolarHBondContact O-N 2.99Å
148S87.9Confident83.4Confident17 Ų1754.4 Ų54.412%0.11930%0.301CS..Hα-helixtrans-65.1-38175.1-1750000112.3M121 Y144 S145 E146 F151 S152M121-S148 WeakPolarHBondContact CE-OG 3.26Å; Y144-S148 WeakPolarHBondContact O-CB 3.29Å; Y144-S148 PolarHBondContact O-N 3.33Å; S145-S148 PolarHBondContact O-N 3.47Å; E146-S148 VanDerWaalsContact C-N 3.35Å; E146-S148 PolarHBondContact O-N 3.15Å; S148-F151 PolarHBondContact O-N 3.23Å; S148-S152 WeakPolarHBondContact O-CB 3.1Å; S148-S152 PolarHBondContact O-N 3.5Å; S148-S152 PolarHBondContact O-OG 3.36Å
149S89.4Confident84.4Confident50 Ų5046 Ų4635%0.3526%0.262SS..Hα-helixtrans-66.4-40177.3820000112.3S145 E146 V147 S152 K153S145-S149 WeakPolarHBondContact O-CB 3.31Å; S145-S149 PolarHBondContact O-N 2.86Å; E146-S149 PolarHBondContact O-N 3.35Å; E146-S149 PolarHBondContact O-OG 3.26Å; V147-S149 VanDerWaalsContact C-N 3.35Å; V147-S149 PolarHBondContact O-N 3.36Å; S149-S152 PolarHBondContact O-N 2.89Å; S149-K153 WeakPolarHBondContact O-CG 3.43Å; S149-K153 PolarHBondContact O-N 3.23Å
150T88.4Confident85.4Confident15 Ų1542.3 Ų42.39%0.09222%0.224CC..Hα-helixtrans-71.9-39.4177.348.70000111.4T105 E146 V147 S152 K153 L154T105-T150 HydrophobicContact CG2-CG2 4.22Å; T105-T150 VanDerWaalsContact CG2-OG1 3.28Å; T105-T150 WeakPolarHBondContact CG2-OG1 3.4Å; E146-T150 PolarHBondContact O-N 3.25Å; E146-T150 PolarHBondContact O-OG1 2.98Å; V147-T150 WeakPolarHBondContact CA-OG1 3.5Å; V147-T150 PolarHBondContact O-N 3.24Å; V147-T150 PolarHBondContact O-OG1 3.49Å; T150-S152 VanDerWaalsContact C-N 3.31Å; T150-S152 PolarHBondContact O-N 3.09Å; T150-K153 PolarHBondContact O-N 3.14Å; T150-L154 WeakPolarHBondContact O-CG 3.23Å; T150-L154 PolarHBondContact O-N 3.44Å
151F88.8Confident86Confident0 Ų038.4 Ų38.40%021%0.206CC..Hα-helixtrans-57.6-45.2170.2-169.1-79.9000111.3I109 M121 T124 V147 S148 K153 L154 V155 L160 W249I109-F151 HydrophobicContact CD1-CB 4.28Å; I109-F151 HydrophobicContact CG2-CD2 3.92Å; I109-F151 HydrophobicContact CG2-CE2 4.36Å; M121-F151 HydrophobicContact CB-CE1 4.25Å; M121-F151 HydrophobicContact CB-CZ 4.22Å; M121-F151 HydrophobicContact CE-CB 4.26Å; M121-F151 HydrophobicContact CE-CD1 3.59Å; M121-F151 HydrophobicContact CE-CE1 4.23Å; M121-F151 HydrophobicContact CE-CG 4.12Å; M121-F151 HydrophobicContact CG-CD1 3.91Å; M121-F151 HydrophobicContact CG-CE1 3.76Å; M121-F151 HydrophobicContact CG-CE2 4.45Å; M121-F151 HydrophobicContact CG-CG 4.32Å; M121-F151 HydrophobicContact CG-CZ 4.05Å; M121-F151 HydrophobicContact SD-CD1 3.94Å; M121-F151 HydrophobicContact SD-CE1 3.95Å; T124-F151 HydrophobicContact CG2-CE2 4.39Å; V147-F151 WeakPolarHBondContact O-CB 3.34Å; V147-F151 PolarHBondContact O-N 2.99Å; S148-F151 PolarHBondContact O-N 3.23Å; F151-K153 PolarHBondContact O-N 2.94Å; F151-L154 WeakPolarHBondContact O-CB 3.49Å; F151-L154 PolarHBondContact O-N 3.12Å; F151-V155 HydrophobicContact CD1-CG2 3.91Å; F151-V155 HydrophobicContact CE1-CG2 3.7Å; F151-V155 WeakPolarHBondContact O-CG2 3.33Å; F151-V155 PolarHBondContact O-N 3.29Å; F151-L160 HydrophobicContact CD1-CD1 4.37Å; F151-L160 HydrophobicContact CD2-CD1 3.84Å; F151-L160 HydrophobicContact CE1-CD1 4.17Å; F151-L160 HydrophobicContact CE2-CD1 3.61Å; F151-L160 HydrophobicContact CG-CD1 4.22Å; F151-L160 HydrophobicContact CZ-CD1 3.79Å; F151-W249 AromaticContact CE1-CD2 3.96Å; F151-W249 HydrophobicContact CE1-CD2 3.96Å; F151-W249 AromaticContact CE1-CE2 3.84Å; F151-W249 HydrophobicContact CE1-CE3 4.37Å; F151-W249 HydrophobicContact CE1-CG 4.31Å; F151-W249 HydrophobicContact CE1-CZ2 4.13Å; F151-W249 HydrophobicContact CZ-CB 4.17Å; F151-W249 AromaticContact CZ-CD1 3.84Å; F151-W249 AromaticContact CZ-CD2 3.75Å; F151-W249 HydrophobicContact CZ-CD2 3.75Å; F151-W249 AromaticContact CZ-CE2 3.98Å; F151-W249 HydrophobicContact CZ-CE3 4.33Å; F151-W249 AromaticContact CZ-CG 3.65Å; F151-W249 HydrophobicContact CZ-CG 3.65Å
152S88.4Confident86.3Confident26 Ų2638.5 Ų38.518%0.18220%0.201CC..Hα-helixtrans-62.3-44.6178-57.60000111.6S148 S149 T150 L154 V155 E156S148-S152 WeakPolarHBondContact O-CB 3.1Å; S148-S152 PolarHBondContact O-N 3.5Å; S148-S152 PolarHBondContact O-OG 3.36Å; S149-S152 PolarHBondContact O-N 2.89Å; T150-S152 VanDerWaalsContact C-N 3.31Å; T150-S152 PolarHBondContact O-N 3.09Å; S152-L154 VanDerWaalsContact C-N 3.31Å; S152-L154 PolarHBondContact O-N 2.97Å; S152-V155 PolarHBondContact O-N 3.45Å; S152-V155 VanDerWaalsContact O-N 3.14Å; S152-E156 WeakPolarHBondContact O-CG 3.46Å; S152-E156 PolarHBondContact O-N 2.84Å
153K88.3Confident86.1Confident111 Ų11138.6 Ų38.648%0.48320%0.204SC..Hα-helixtrans-58.8-40.1173.4-71.5169.7-176172.20112.5Y102 S149 T150 F151 V155 E156 T157Y102-K153 HydrophobicContact CE1-CB 4.24Å; S149-K153 WeakPolarHBondContact O-CG 3.43Å; S149-K153 PolarHBondContact O-N 3.23Å; T150-K153 PolarHBondContact O-N 3.14Å; F151-K153 PolarHBondContact O-N 2.94Å; K153-V155 VanDerWaalsContact C-N 3.32Å; K153-V155 PolarHBondContact O-N 2.62Å; K153-E156 PolarHBondContact O-N 3.03Å; K153-T157 WeakPolarHBondContact O-CB 3.05Å; K153-T157 WeakPolarHBondContact O-CG2 3.46Å; K153-T157 PolarHBondContact O-N 3.3Å; K153-T157 PolarHBondContact O-OG1 3.19Å
154L87.6Confident85.4Confident0 Ų038.5 Ų38.50%021%0.206CC..Hα-helixtrans-65.3-34.4176.8-80167.5000112.6Y102 I109 T150 F151 S152 T157 H158 F159 L160Y102-L154 HydrophobicContact CD1-CD2 4.17Å; Y102-L154 HydrophobicContact CD1-CG 4.24Å; Y102-L154 HydrophobicContact CD2-CD2 3.5Å; Y102-L154 VanDerWaalsContact CD2-CD2 3.5Å; Y102-L154 HydrophobicContact CD2-CG 4.36Å; Y102-L154 HydrophobicContact CE1-CD2 4.07Å; Y102-L154 HydrophobicContact CE1-CG 4.29Å; Y102-L154 HydrophobicContact CE2-CD2 3.42Å; Y102-L154 VanDerWaalsContact CE2-CD2 3.42Å; Y102-L154 HydrophobicContact CE2-CG 4.44Å; Y102-L154 HydrophobicContact CG-CD2 3.92Å; Y102-L154 HydrophobicContact CG-CG 4.29Å; I109-L154 HydrophobicContact CB-CD1 4.27Å; I109-L154 HydrophobicContact CD1-CD1 4.15Å; I109-L154 HydrophobicContact CG2-CD1 3.93Å; T150-L154 WeakPolarHBondContact O-CG 3.23Å; T150-L154 PolarHBondContact O-N 3.44Å; F151-L154 WeakPolarHBondContact O-CB 3.49Å; F151-L154 PolarHBondContact O-N 3.12Å; S152-L154 VanDerWaalsContact C-N 3.31Å; S152-L154 PolarHBondContact O-N 2.97Å; L154-T157 WeakPolarHBondContact CA-OG1 3.3Å; L154-T157 PolarHBondContact O-OG1 3.32Å; L154-H158 PolarHBondContact O-N 3.08Å; L154-F159 HydrophobicContact CD2-CB 3.95Å; L154-F159 HydrophobicContact CD2-CD2 4.44Å; L154-F159 HydrophobicContact CD2-CG 4.42Å; L154-F159 PolarHBondContact O-N 3.09Å; L154-L160 HydrophobicContact CB-CD1 3.79Å; L154-L160 HydrophobicContact CB-CG 3.99Å; L154-L160 HydrophobicContact CD1-CD1 4.3Å; L154-L160 PolarHBondContact O-N 3.46Å
155V87.6Confident84.2Confident0 Ų041.9 Ų41.90%023%0.231CC..Hα-helixtrans-71.8-46.2173.9176.50000110.9F151 S152 K153 T157 H158 L160 Y206 V208 W249F151-V155 HydrophobicContact CD1-CG2 3.91Å; F151-V155 HydrophobicContact CE1-CG2 3.7Å; F151-V155 WeakPolarHBondContact O-CG2 3.33Å; F151-V155 PolarHBondContact O-N 3.29Å; S152-V155 PolarHBondContact O-N 3.45Å; S152-V155 VanDerWaalsContact O-N 3.14Å; K153-V155 VanDerWaalsContact C-N 3.32Å; K153-V155 PolarHBondContact O-N 2.62Å; V155-T157 PolarHBondContact O-N 3.31Å; V155-H158 WeakPolarHBondContact O-CA 3.43Å; V155-H158 PolarHBondContact O-N 3.36Å; V155-L160 HydrophobicContact CG2-CB 3.84Å; V155-L160 HydrophobicContact CG2-CD1 4.19Å; V155-Y206 WeakPolarHBondContact CG1-O 3.38Å; V155-V208 HydrophobicContact CB-CG2 3.74Å; V155-V208 HydrophobicContact CG1-CG2 3.68Å; V155-V208 HydrophobicContact CG2-CG2 4.07Å; V155-W249 HydrophobicContact CB-CH2 4.4Å; V155-W249 HydrophobicContact CB-CZ3 4.27Å; V155-W249 HydrophobicContact CG1-CH2 3.76Å; V155-W249 HydrophobicContact CG1-CZ3 3.75Å; V155-W249 HydrophobicContact CG2-CE3 4.05Å; V155-W249 HydrophobicContact CG2-CH2 3.67Å; V155-W249 HydrophobicContact CG2-CZ2 4.47Å; V155-W249 HydrophobicContact CG2-CZ3 3.43Å; V155-W249 VanDerWaalsContact CG2-CZ3 3.43Å
156E86.3Confident82.8Confident136 Ų13642.9 Ų42.964%0.63623%0.234SC*.Hα-helixtrans-59.4-31.8177.7-74173.5-17400112.9S152 K153 H158S152-E156 WeakPolarHBondContact O-CG 3.46Å; S152-E156 PolarHBondContact O-N 2.84Å; K153-E156 PolarHBondContact O-N 3.03Å; E156-H158 VanDerWaalsContact C-N 3.32Å; E156-H158 PolarHBondContact O-CD2 3.09Å; E156-H158 VanDerWaalsContact O-CD2 3.23Å
157T85.2Confident80.9Confident52 Ų5241.7 Ų41.732%0.31925%0.249SC..THydrogen-bonded Turntrans-92.16.6177.8500000113.6Y102 K153 L154 V155 F159 R255Y102-T157 VanDerWaalsContact OH-CB 3.24Å; Y102-T157 WeakPolarHBondContact OH-CB 3.5Å; Y102-T157 WeakPolarHBondContact OH-CG2 3.48Å; Y102-T157 PolarHBondContact OH-OG1 3.21Å; K153-T157 WeakPolarHBondContact O-CB 3.05Å; K153-T157 WeakPolarHBondContact O-CG2 3.46Å; K153-T157 PolarHBondContact O-N 3.3Å; K153-T157 PolarHBondContact O-OG1 3.19Å; L154-T157 WeakPolarHBondContact CA-OG1 3.3Å; L154-T157 PolarHBondContact O-OG1 3.32Å; V155-T157 PolarHBondContact O-N 3.31Å; T157-F159 PolarHBondContact O-N 3.05Å; T157-F159 WeakPolarHBondContact OG1-CD2 3.24Å; T157-R255 PolarHBondContact O-NE 2.94Å; T157-R255 VanDerWaalsContact O-NE 3.16Å
158H85.9Confident78.5Confident48 Ų4845.3 Ų45.322%0.22229%0.286CS..THydrogen-bonded Turntrans64.917.7173.8-58.6-164.4000115L154 V155 E156 L160 Y206 N252 R255L154-H158 PolarHBondContact O-N 3.08Å; V155-H158 WeakPolarHBondContact O-CA 3.43Å; V155-H158 PolarHBondContact O-N 3.36Å; E156-H158 VanDerWaalsContact C-N 3.32Å; E156-H158 PolarHBondContact O-CD2 3.09Å; E156-H158 VanDerWaalsContact O-CD2 3.23Å; H158-L160 VanDerWaalsContact C-N 3.31Å; H158-Y206 HydrophobicContact CB-CD1 3.99Å; H158-Y206 HydrophobicContact CB-CE1 3.46Å; H158-Y206 VanDerWaalsContact CB-CE1 3.46Å; H158-Y206 AromaticContact CD2-CD1 3.66Å; H158-Y206 AromaticContact CD2-CD2 3.96Å; H158-Y206 AromaticContact CD2-CE1 3.94Å; H158-Y206 AromaticContact CD2-CG 3.68Å; H158-Y206 AromaticContact CE1-CD2 3.56Å; H158-Y206 AromaticContact CE1-CE2 3.48Å; H158-Y206 VanDerWaalsContact CE1-CE2 3.48Å; H158-Y206 WeakPolarHBondContact CE1-CE2 3.38Å; H158-Y206 AromaticContact CE1-CZ 3.95Å; H158-Y206 AromaticContact CG-CD1 3.7Å; H158-Y206 AromaticContact CG-CE1 3.47Å; H158-Y206 VanDerWaalsContact CG-CE1 3.47Å; H158-Y206 AromaticContact CG-CE2 3.88Å; H158-Y206 AromaticContact CG-CZ 3.56Å; H158-Y206 AromaticContact ND1-CD2 3.86Å; H158-Y206 AromaticContact ND1-CE1 3.83Å; H158-Y206 AromaticContact ND1-CE2 3.4Å; H158-Y206 WeakPolarHBondContact ND1-CE2 3.4Å; H158-Y206 AromaticContact ND1-CZ 3.38Å; H158-Y206 AromaticContact NE2-CD2 3.63Å; H158-Y206 AromaticContact NE2-CE2 3.99Å; H158-Y206 AromaticContact NE2-CG 3.75Å; H158-N252 VanDerWaalsContact O-CB 3.32Å; H158-N252 WeakPolarHBondContact O-CB 3.49Å; H158-N252 PolarHBondContact O-ND2 3.17Å; H158-R255 WeakPolarHBondContact O-CB 3.49Å
159F86.9Confident75.7Confident3 Ų348.8 Ų48.81%0.01332%0.316CS..SBendtrans-74.4-26.3172.3-76.7-77.1000112L101 Y102 L154 T157 N252 R255 F256L101-F159 HydrophobicContact CD1-CE1 4.43Å; L101-F159 HydrophobicContact CD1-CE2 4.05Å; L101-F159 HydrophobicContact CD1-CZ 3.63Å; Y102-F159 AromaticContact CE2-CD2 3.97Å; Y102-F159 HydrophobicContact CE2-CD2 3.97Å; Y102-F159 HydrophobicContact CE2-CE2 4.01Å; Y102-F159 VanDerWaalsContact OH-CD2 3.3Å; Y102-F159 WeakPolarHBondContact OH-CD2 3.45Å; Y102-F159 VanDerWaalsContact OH-CE2 3.32Å; Y102-F159 WeakPolarHBondContact OH-CE2 3.45Å; L154-F159 HydrophobicContact CD2-CB 3.95Å; L154-F159 HydrophobicContact CD2-CD2 4.44Å; L154-F159 HydrophobicContact CD2-CG 4.42Å; L154-F159 PolarHBondContact O-N 3.09Å; T157-F159 PolarHBondContact O-N 3.05Å; T157-F159 WeakPolarHBondContact OG1-CD2 3.24Å; F159-N252 WeakPolarHBondContact O-CB 3.4Å; F159-N252 PolarHBondContact O-N 2.86Å; F159-R255 HydrophobicContact CD1-CB 4.38Å; F159-R255 HydrophobicContact CD1-CG 3.77Å; F159-R255 HydrophobicContact CD2-CG 4.34Å; F159-R255 HydrophobicContact CE1-CG 3.88Å; F159-R255 HydrophobicContact CE2-CG 4.42Å; F159-R255 HydrophobicContact CG-CG 4.03Å; F159-R255 HydrophobicContact CZ-CG 4.21Å; F159-F256 HydrophobicContact CB-CE2 4.35Å; F159-F256 HydrophobicContact CD1-CD1 4.03Å; F159-F256 AromaticContact CD1-CD2 3.83Å; F159-F256 HydrophobicContact CD1-CD2 3.83Å; F159-F256 AromaticContact CD1-CE1 3.78Å; F159-F256 HydrophobicContact CD1-CE1 3.78Å; F159-F256 AromaticContact CD1-CE2 3.54Å; F159-F256 HydrophobicContact CD1-CE2 3.54Å; F159-F256 HydrophobicContact CD1-CG 4.06Å; F159-F256 AromaticContact CD1-CZ 3.52Å; F159-F256 HydrophobicContact CD1-CZ 3.52Å; F159-F256 AromaticContact CE1-CD1 3.87Å; F159-F256 HydrophobicContact CE1-CD1 3.87Å; F159-F256 HydrophobicContact CE1-CD2 4.37Å; F159-F256 AromaticContact CE1-CE1 3.86Å; F159-F256 HydrophobicContact CE1-CE1 3.86Å; F159-F256 HydrophobicContact CE1-CE2 4.34Å; F159-F256 HydrophobicContact CE1-CG 4.13Å; F159-F256 HydrophobicContact CE1-CZ 4.11Å; F159-F256 HydrophobicContact CG-CE2 4.4Å; F159-F256 HydrophobicContact CG-CZ 4.37Å
160L87.3Confident72.8Confident0 Ų050 Ų500%034%0.336CS..EExtended strand (participates in β ladder)trans-109.7142.4170.6-64.7-180000110.1I109 I110 L113 F151 L154 V155 H158 W249 V251I109-L160 HydrophobicContact CG2-CD1 4.29Å; I110-L160 HydrophobicContact CD1-CD2 3.76Å; I110-L160 HydrophobicContact CD1-CG 4.5Å; L113-L160 HydrophobicContact CD1-CD1 4.23Å; L113-L160 HydrophobicContact CD1-CD2 3.39Å; L113-L160 HydrophobicContact CD1-CG 4.46Å; F151-L160 HydrophobicContact CD1-CD1 4.37Å; F151-L160 HydrophobicContact CD2-CD1 3.84Å; F151-L160 HydrophobicContact CE1-CD1 4.17Å; F151-L160 HydrophobicContact CE2-CD1 3.61Å; F151-L160 HydrophobicContact CG-CD1 4.22Å; F151-L160 HydrophobicContact CZ-CD1 3.79Å; L154-L160 HydrophobicContact CB-CD1 3.79Å; L154-L160 HydrophobicContact CB-CG 3.99Å; L154-L160 HydrophobicContact CD1-CD1 4.3Å; L154-L160 PolarHBondContact O-N 3.46Å; V155-L160 HydrophobicContact CG2-CB 3.84Å; V155-L160 HydrophobicContact CG2-CD1 4.19Å; H158-L160 VanDerWaalsContact C-N 3.31Å; L160-W249 HydrophobicContact CB-CE3 4.28Å; L160-V251 HydrophobicContact CD2-CG2 4.4Å
161Q85.2Confident69.9Low28 Ų2856 Ų5613%0.13137%0.373CS..EExtended strand (participates in β ladder)trans-135145.9174.864-177.5-1700109.8Y206 Q250 N252Q161-Y206 HydrophobicContact CB-CE1 4.26Å; Q161-Q250 HydrophobicContact CG-CG 3.54Å; Q161-Q250 PolarHBondContact N-O 2.97Å; Q161-Q250 PolarHBondContact O-N 2.7Å; Q161-Q250 VanDerWaalsContact O-O 3.09Å; Q161-N252 HydrophobicContact CB-CB 4.29Å; Q161-N252 HydrophobicContact CG-CB 3.99Å
162R83.4Confident67.1Low38 Ų3861.8 Ų61.814%0.14341%0.414CS..EExtended strand (participates in β ladder)trans-65.2144.2169.4-65.8-174-179.9-174.70.8110.3E204 C205 S207 P209 I247 Y248 W249R162-E204 WeakPolarHBondContact CD-O 3.46Å; R162-E204 IonicContact NH1-OE2 2.72Å; R162-E204 PolarHBondContact NH1-OE2 3.17Å; R162-C205 PolarHBondContact N-O 3.21Å; R162-C205 VanDerWaalsContact N-O 3.08Å; R162-S207 PolarHBondContact NE-O 3.45Å; R162-S207 PolarHBondContact NH2-O 3.26Å; R162-S207 PolarHBondContact NH2-OG 2.91Å; R162-P209 VanDerWaalsContact NH2-CD 3.32Å; R162-I247 HydrophobicContact CG-CG2 4.23Å; R162-Y248 WeakPolarHBondContact CA-O 3.36Å; R162-W249 HydrophobicContact CG-CD2 4.13Å; R162-W249 HydrophobicContact CG-CE3 3.86Å; R162-W249 HydrophobicContact CG-CH2 3.61Å; R162-W249 HydrophobicContact CG-CZ2 3.87Å; R162-W249 HydrophobicContact CG-CZ3 3.59Å
163C76.6Confident64Low23 Ų2364 Ų6416%0.15544%0.441CS..PPolyproline II helixtrans-68.9141.6171.4-58.80000108.9H118 Y248H118-C163 PolarHBondContact ND1-SG 3.26Å; C163-Y248 PolarHBondContact N-O 3Å; C163-Y248 PolarHBondContact SG-O 3.26Å; C163-Y248 VanDerWaalsContact SG-O 3.36Å
164P69.3Low61Low58 Ų5864.7 Ų64.738%0.37746%0.459SS..PPolyproline II helixtrans-56.1130.6174.6-21.131.6000109.5V166 P197P164-V166 PolarHBondContact O-N 2.99Å; P164-P197 HydrophobicContact CB-CG 3.98Å; P164-P197 HydrophobicContact CG-CG 3.45Å; P164-P197 VanDerWaalsContact CG-CG 3.45Å
165P59.2Low58Low97 Ų9769.5 Ų69.563%0.6350%0.499SS*.PPolyproline II helixtrans-61130.6176.924.1-31.4000108.6G167 F202P165-G167 PolarHBondContact O-N 3.27Å; P165-F202 HydrophobicContact CG-CE1 4.09Å
166V55.7Low54.9Low98 Ų9874.1 Ų74.159%0.59454%0.537SS*.  trans-63.7103.7177.6-178.80000107.7F65 P164 G168F65-V166 HydrophobicContact CE2-CG1 3.69Å; F65-V166 HydrophobicContact CZ-CB 4.47Å; F65-V166 HydrophobicContact CZ-CG1 3.66Å; F65-V166 HydrophobicContact CZ-CG2 3.91Å; P164-V166 PolarHBondContact O-N 2.99Å; V166-G168 VanDerWaalsContact C-N 3.32Å; V166-G168 PolarHBondContact O-N 2.96Å
167G44.6Very low52.3Low76 Ų7673.9 Ų73.978%0.78455%0.548SS*.THydrogen-bonded Turntrans-63.790.3173.700000110.1P165P165-G167 PolarHBondContact O-N 3.27Å
168G36.5Very low49.3Very low75 Ų7576.4 Ų76.477%0.77357%0.574SS**THydrogen-bonded Turntrans166.55.6-179.400000118.5V166V166-G168 VanDerWaalsContact C-N 3.32Å; V166-G168 PolarHBondContact O-N 2.96Å
169A29.2Very low46.2Very low90 Ų9079 Ų7974%0.74460%0.603SS**  trans-117101.3169.700000109T171A169-T171 PolarHBondContact O-N 2.86Å
170G28.7Very low43.2Very low76 Ų7683.1 Ų83.178%0.78464%0.638SS**  trans-60.4120.117600000110.8S172G170-S172 VanDerWaalsContact C-N 3.26Å; G170-S172 PolarHBondContact O-N 3.45Å; G170-S172 VanDerWaalsContact O-N 3.12Å
171T26.8Very low40Very low142 Ų14289.8 Ų89.887%0.87168%0.679SS**  trans-77.585.1157.442.50000107.9A169A169-T171 PolarHBondContact O-N 2.86Å
172S30.3Very low37.1Very low121 Ų12193.8 Ų93.885%0.84671%0.71SS**  trans-77.1115.5161.253.40000109.3G170G170-S172 VanDerWaalsContact C-N 3.26Å; G170-S172 PolarHBondContact O-N 3.45Å; G170-S172 VanDerWaalsContact O-N 3.12Å
173G23.5Very low34.1Very low73 Ų7396.7 Ų96.775%0.75374%0.742SS**  trans119.6116.2173.600000110.5
174S24.3Very low31.5Very low124 Ų124100.8 Ų100.887%0.86778%0.777SS**SBendcis-161.5119.222.1141.40000108.5
175A24.8Very low29.2Very low101 Ų101102.9 Ų102.984%0.83580%0.8SS**  trans177.5109.914000000108.9
176A22.9Very low27.3Very low97 Ų97102.9 Ų102.980%0.80281%0.808SS**  trans-93178.4166.400000109.3
177P32.1Very low25.8Very low132 Ų132102.8 Ų102.886%0.85782%0.818SS**  -118.7156.7-94.431.8-14.9000112.4
178A22.2Very low24.8Very low105 Ų105105.2 Ų105.287%0.86882%0.819SS**  trans-126.2124.1162.500000109.6
179A21.2Very low24.2Very low102 Ų102106.5 Ų106.584%0.84382%0.823SS**  trans-80.2174.1-173.800000113.5
180A22.6Very low23.9Very low90 Ų90106.8 Ų106.874%0.74483%0.825SS**  trans93.112617400000114.4
181T21.9Very low23.6Very low139 Ų139107.7 Ų107.785%0.85383%0.825SS**  cis-165.4154.48.93.40000108.9
182S22.9Very low23.5Very low112 Ų112107.7 Ų107.778%0.78383%0.825SS**  trans-49.3144179.852.50000117.8
183A21.1Very low23.2Very low100 Ų100106.6 Ų106.683%0.82682%0.817SS**  160.6138.6106.100000113.1
184A22.5Very low23.5Very low108 Ų108108.4 Ų108.489%0.89381%0.813SS**  trans112.692.7160.900000115.8
185A19.7Very low23.6Very low102 Ų102105.7 Ų105.784%0.84380%0.799SS**  trans-84.1135.7161.700000110.1
186A20.7Very low23.9Very low97 Ų97105.8 Ų105.880%0.80279%0.79SS**  169123.4118.800000114.1
187A22.5Very low24.3Very low97 Ų97104.4 Ų104.480%0.80277%0.774SS**  trans83151.8147.800000120
188P25.1Very low24.6Very low126 Ų126102.1 Ų102.182%0.81876%0.757SS**  -117.9161.3-79.524.3-6.1000113A190P188-A190 PolarHBondContact O-N 2.86Å
189A22.7Very low25.6Very low103 Ų10399.1 Ų99.185%0.85173%0.729SS**  trans-45.9119.4179.300000113.5A191A189-A191 PolarHBondContact O-N 2.7Å
190A22.7Very low26.4Very low96 Ų96102.6 Ų102.679%0.79373%0.728SS**  trans-60.9132.7169.600000110P188 V192P188-A190 PolarHBondContact O-N 2.86Å; A190-V192 PolarHBondContact O-N 2.96Å
191A22.2Very low27.3Very low94 Ų94101.3 Ų101.378%0.77771%0.713SS**  trans-52126.5178.700000111.7A189 S193A189-A191 PolarHBondContact O-N 2.7Å; A191-S193 PolarHBondContact O-N 3Å
192V25.4Very low28.6Very low142 Ų14298.5 Ų98.586%0.86169%0.689SS**  trans-57.5109169.2179.40000108.3A190A190-V192 PolarHBondContact O-N 2.96Å
193S23.9Very low29.8Very low98 Ų9899.8 Ų99.869%0.68570%0.695SS**  trans-66.1141.2-179.849.60000112A191 A195A191-S193 PolarHBondContact O-N 3Å; S193-A195 PolarHBondContact O-N 3.41Å
194V29.9Very low31.3Very low111 Ų111101 Ų10167%0.67368%0.684SS**SBendtrans-82.521.6-171.1174.40000113.3
195A25.8Very low33Very low68 Ų6896.5 Ų96.556%0.56265%0.645SS**SBendtrans-102.8146.8-179.100000111.4S193S193-A195 PolarHBondContact O-N 3.41Å
196P32.1Very low34.9Very low102 Ų10294.3 Ų94.366%0.66262%0.616SS**PPolyproline II helixtrans-54.7138.4165.225.6-32.1000108.2T198P196-T198 PolarHBondContact O-N 2.8Å
197P31.8Very low36.7Very low69 Ų6991.7 Ų91.745%0.44859%0.592SS.*PPolyproline II helixtrans-59.6118.5-174.422.7-31.4000109.3P164 F202P164-P197 HydrophobicContact CB-CG 3.98Å; P164-P197 HydrophobicContact CG-CG 3.45Å; P164-P197 VanDerWaalsContact CG-CG 3.45Å; P197-F202 HydrophobicContact CB-CD2 4.32Å; P197-F202 HydrophobicContact CB-CE2 3.7Å; P197-F202 HydrophobicContact CG-CE2 4.33Å
198T37.7Very low38.5Very low84 Ų8489.1 Ų89.152%0.51557%0.566SS.*PPolyproline II helixtrans-68.2147.616939.60000109P196 E200 S201P196-T198 PolarHBondContact O-N 2.8Å; T198-E200 PolarHBondContact O-N 3.17Å; T198-S201 PolarHBondContact O-N 3.01Å; T198-S201 PolarHBondContact O-OG 3.29Å
199P42.6Very low40.2Very low42 Ų4284.1 Ų84.127%0.27353%0.533SS..G310 helixtrans-58.6-12-178.119.5-30.2000114.4S201 Y206P199-S201 PolarHBondContact O-N 3.27Å; P199-Y206 HydrophobicContact CB-CE2 4.15Å; P199-Y206 WeakPolarHBondContact CB-OH 3.49Å
200E39.1Very low41.4Very low175 Ų17588.6 Ų88.682%0.81854%0.536SS*.G310 helixtrans-73.7-10.8174.9-58.8-174.5165.800113.8T198T198-E200 PolarHBondContact O-N 3.17Å
201S41.8Very low43Very low62 Ų6285.6 Ų85.643%0.43451%0.506SS..G310 helixtrans-94.5-5.4-177.658.10000115T198 P199T198-S201 PolarHBondContact O-N 3.01Å; T198-S201 PolarHBondContact O-OG 3.29Å; P199-S201 PolarHBondContact O-N 3.27Å
202F48.5Very low44.3Very low80 Ų8086.2 Ų86.235%0.35151%0.505SS..  trans-137.1101.1-177-69.2-80.3000112.2P165 P197 E204 C205P165-F202 HydrophobicContact CG-CE1 4.09Å; P197-F202 HydrophobicContact CB-CD2 4.32Å; P197-F202 HydrophobicContact CB-CE2 3.7Å; P197-F202 HydrophobicContact CG-CE2 4.33Å; F202-E204 PolarHBondContact O-N 3.46Å; F202-C205 HydrophobicContact CB-CB 4.16Å; F202-C205 PolarHBondContact O-N 3.17Å; F202-C205 VanDerWaalsContact O-N 3.13Å
203P48.6Very low45.9Very low140 Ų14080.5 Ų80.591%0.90947%0.47SS*.THydrogen-bonded Turntrans-62.8-13.4179.612.9-18.2000114.6
204E51.7Low47.6Very low126 Ų12683.6 Ų83.659%0.58948%0.477SS*.THydrogen-bonded Turntrans-96.4-0.6177.6-69.9-171.2179.700114.8R162 F202 Y206 S207R162-E204 WeakPolarHBondContact CD-O 3.46Å; R162-E204 IonicContact NH1-OE2 2.72Å; R162-E204 PolarHBondContact NH1-OE2 3.17Å; F202-E204 PolarHBondContact O-N 3.46Å; E204-Y206 PolarHBondContact O-N 3.11Å; E204-Y206 VanDerWaalsContact O-N 3.14Å; E204-S207 WeakPolarHBondContact CA-OG 3.26Å; E204-S207 PolarHBondContact O-N 3.33Å; E204-S207 PolarHBondContact O-OG 3.49Å
205C58.9Low49.3Very low13 Ų1379.7 Ų79.79%0.08846%0.459CS..THydrogen-bonded Turntrans-66-22.4-169.380.80000114.8R162 F202R162-C205 PolarHBondContact N-O 3.21Å; R162-C205 VanDerWaalsContact N-O 3.08Å; F202-C205 HydrophobicContact CB-CB 4.16Å; F202-C205 PolarHBondContact O-N 3.17Å; F202-C205 VanDerWaalsContact O-N 3.13Å
206Y59Low51.3Low55 Ų5583.9 Ų83.922%0.21646%0.46CS..THydrogen-bonded Turntrans-114.314175-53.4-65000112.8V155 H158 Q161 P199 E204V155-Y206 WeakPolarHBondContact CG1-O 3.38Å; H158-Y206 HydrophobicContact CB-CD1 3.99Å; H158-Y206 HydrophobicContact CB-CE1 3.46Å; H158-Y206 VanDerWaalsContact CB-CE1 3.46Å; H158-Y206 AromaticContact CD2-CD1 3.66Å; H158-Y206 AromaticContact CD2-CD2 3.96Å; H158-Y206 AromaticContact CD2-CE1 3.94Å; H158-Y206 AromaticContact CD2-CG 3.68Å; H158-Y206 AromaticContact CE1-CD2 3.56Å; H158-Y206 AromaticContact CE1-CE2 3.48Å; H158-Y206 VanDerWaalsContact CE1-CE2 3.48Å; H158-Y206 WeakPolarHBondContact CE1-CE2 3.38Å; H158-Y206 AromaticContact CE1-CZ 3.95Å; H158-Y206 AromaticContact CG-CD1 3.7Å; H158-Y206 AromaticContact CG-CE1 3.47Å; H158-Y206 VanDerWaalsContact CG-CE1 3.47Å; H158-Y206 AromaticContact CG-CE2 3.88Å; H158-Y206 AromaticContact CG-CZ 3.56Å; H158-Y206 AromaticContact ND1-CD2 3.86Å; H158-Y206 AromaticContact ND1-CE1 3.83Å; H158-Y206 AromaticContact ND1-CE2 3.4Å; H158-Y206 WeakPolarHBondContact ND1-CE2 3.4Å; H158-Y206 AromaticContact ND1-CZ 3.38Å; H158-Y206 AromaticContact NE2-CD2 3.63Å; H158-Y206 AromaticContact NE2-CE2 3.99Å; H158-Y206 AromaticContact NE2-CG 3.75Å; Q161-Y206 HydrophobicContact CB-CE1 4.26Å; P199-Y206 HydrophobicContact CB-CE2 4.15Å; P199-Y206 WeakPolarHBondContact CB-OH 3.49Å; E204-Y206 PolarHBondContact O-N 3.11Å; E204-Y206 VanDerWaalsContact O-N 3.14Å
207S59.5Low52.9Low43 Ų4379.4 Ų79.430%0.30143%0.433SS..PPolyproline II helixtrans-85.3128.4173.767.90000109.4R162 E204 W249R162-S207 PolarHBondContact NE-O 3.45Å; R162-S207 PolarHBondContact NH2-O 3.26Å; R162-S207 PolarHBondContact NH2-OG 2.91Å; E204-S207 WeakPolarHBondContact CA-OG 3.26Å; E204-S207 PolarHBondContact O-N 3.33Å; E204-S207 PolarHBondContact O-OG 3.49Å; S207-W249 WeakPolarHBondContact O-CH2 3.38Å
208V60.5Low54.8Low42 Ų4282.8 Ų82.826%0.25544%0.44SS..PPolyproline II helixtrans-85.9129.3172.5-172.10000107.6M121 V155 H210M121-V208 HydrophobicContact CE-CG1 3.74Å; M121-V208 HydrophobicContact SD-CG1 3.71Å; V155-V208 HydrophobicContact CB-CG2 3.74Å; V155-V208 HydrophobicContact CG1-CG2 3.68Å; V155-V208 HydrophobicContact CG2-CG2 4.07Å; V208-H210 PolarHBondContact O-N 3Å
209P60.3Low56.1Low21 Ų2182.8 Ų82.814%0.13643%0.431CS..PPolyproline II helixtrans-62.9134.8170.423.8-24.9000108.3R162 L211 I247R162-P209 VanDerWaalsContact NH2-CD 3.32Å; P209-L211 VanDerWaalsContact C-N 3.25Å; P209-L211 HydrophobicContact CB-CD2 4.5Å; P209-L211 HydrophobicContact CB-CG 4.17Å; P209-L211 HydrophobicContact CG-CD1 4.08Å; P209-L211 HydrophobicContact CG-CG 4.17Å; P209-L211 PolarHBondContact O-N 2.77Å; P209-I247 HydrophobicContact CB-CD1 4.12Å; P209-I247 HydrophobicContact CG-CD1 4.1Å
210H48.2Very low56.6Low197 Ų19788.6 Ų88.691%0.91245%0.454SS*.  trans-70.884.1-179.3-127.5-70.7000109.1V208V208-H210 PolarHBondContact O-N 3Å
211L55.3Low56.9Low33 Ų3387.6 Ų87.617%0.17345%0.454CS..  trans-102.1116.9179.9-60.7176.1000109.5M121 P209 L213 H242 D244M121-L211 HydrophobicContact CB-CD1 4.21Å; M121-L211 HydrophobicContact CG-CD1 4.4Å; M121-L211 HydrophobicContact SD-CD1 3.98Å; P209-L211 VanDerWaalsContact C-N 3.25Å; P209-L211 HydrophobicContact CB-CD2 4.5Å; P209-L211 HydrophobicContact CB-CG 4.17Å; P209-L211 HydrophobicContact CG-CD1 4.08Å; P209-L211 HydrophobicContact CG-CG 4.17Å; P209-L211 PolarHBondContact O-N 2.77Å; L211-L213 HydrophobicContact CB-CG 4.05Å; L211-L213 PolarHBondContact O-N 3.45Å; L211-H242 VanDerWaalsContact CD2-O 3.24Å; L211-H242 WeakPolarHBondContact CD2-O 3.43Å; L211-D244 HydrophobicContact CD1-CB 3.73Å; L211-D244 HydrophobicContact CD2-CB 4.36Å
212S49.2Very low56.7Low108 Ų10890.5 Ų90.576%0.75547%0.469SS*.  trans-81.871.4167.8-550000109.4I214S212-I214 PolarHBondContact O-N 3.36Å
213L59.3Low56Low22 Ų2292.2 Ų92.212%0.11549%0.488CS..  trans-72.8105.1172.1-64.1172.9000108.5V125 L211 H242V125-L213 HydrophobicContact CB-CD1 4.05Å; V125-L213 HydrophobicContact CG1-CD1 4.14Å; V125-L213 HydrophobicContact CG2-CD1 4.03Å; L211-L213 HydrophobicContact CB-CG 4.05Å; L211-L213 PolarHBondContact O-N 3.45Å; L213-H242 VanDerWaalsContact CD2-CD2 3.48Å; L213-H242 WeakPolarHBondContact CD2-CD2 3.34Å
214I59.7Low55.4Low163 Ų16394 Ų9484%0.83648%0.484SS*.  trans-112116175.9-56.4171.4000107.4S212S212-I214 PolarHBondContact O-N 3.36Å
215G64.8Low54.3Low28 Ų2895 Ų9529%0.28949%0.493SS..  trans178.5172-18000000112.2Y144Y144-G215 WeakPolarHBondContact CB-O 3.27Å; Y144-G215 VanDerWaalsContact CG-C 3.48Å; Y144-G215 VanDerWaalsContact CG-O 3.25Å; Y144-G215 PolarHBondContact N-O 3.36Å
216R68.6Low53.5Low157 Ų15798 Ų9859%0.59253%0.527SS*.BIsolated β-bridgetrans-125.6144.2178.5-81.5175.7170.2-1696109.7S141 D143 Y144 K218S141-R216 VanDerWaalsContact OG-CD 3.26Å; S141-R216 WeakPolarHBondContact OG-CD 3.46Å; D143-R216 WeakPolarHBondContact OD1-CG 3.4Å; D143-R216 IonicContact OD1-CZ 3.9Å; D143-R216 IonicContact OD1-NE 2.78Å; D143-R216 PolarHBondContact OD1-NE 2.63Å; D143-R216 IonicContact OD1-NH2 3.51Å; Y144-R216 PolarHBondContact OH-O 3.29Å; R216-K218 PolarHBondContact O-N 2.68Å
217G65.6Low52.2Low8 Ų8104 Ų1048%0.08256%0.557CS.*PPolyproline II helixtrans-55.8136173.200000111D130 M142D130-G217 WeakPolarHBondContact OD1-CA 3.21Å; M142-G217 PolarHBondContact O-N 3.04Å
218K72.7Confident50.8Low139 Ų139109.8 Ų109.860%0.60458%0.584SS**PPolyproline II helixtrans-91129.5177-65-177.9-177.6177.50108.9D130 R216D130-K218 PolarHBondContact OD1-N 2.89Å; R216-K218 PolarHBondContact O-N 2.68Å
219R64Low49.4Very low84 Ų84117.2 Ų117.232%0.31762%0.616SS.*PPolyproline II helixtrans-73.8134.2164.4-68.9-175.8-171.2-140.5-2.4108.9T133 M136 E137 E138 H140 L221T133-R219 HydrophobicContact CG2-CG 3.58Å; M136-R219 PolarHBondContact O-NH1 2.94Å; M136-R219 PolarHBondContact O-NH2 3.37Å; M136-R219 VanDerWaalsContact O-NH2 3.15Å; E137-R219 PolarHBondContact O-NH2 3.47Å; E138-R219 VanDerWaalsContact CA-NH1 3.28Å; H140-R219 PolarHBondContact O-NH2 3.32Å; R219-L221 VanDerWaalsContact C-N 3.26Å; R219-L221 PolarHBondContact O-N 3.3Å
220Q52.5Low48.1Very low165 Ų165127.3 Ų127.377%0.77165%0.651SS**  trans-7786.4171.5-157.1162.59.400107.6V222Q220-V222 PolarHBondContact O-N 3.05Å
221L45.2Very low47.1Very low154 Ų154124.1 Ų124.181%0.80664%0.641SS**  trans-66.6120.7169.7-81.1146.5000107.9R219R219-L221 VanDerWaalsContact C-N 3.26Å; R219-L221 PolarHBondContact O-N 3.3Å
222V38.3Very low46.1Very low123 Ų123128.1 Ų128.175%0.74568%0.679SS**  trans-61.4127.5163.9-178.40000106.2Q220 E224Q220-V222 PolarHBondContact O-N 3.05Å; V222-E224 PolarHBondContact O-N 2.86Å
223P34Very low45.3Very low116 Ų116131.2 Ų131.275%0.75368%0.679SS**  trans-69101.7179.526.7-30.5000108.7N225P223-N225 VanDerWaalsContact C-N 3.29Å; P223-N225 PolarHBondContact O-N 3.42Å
224E35.6Very low43.9Very low178 Ų178141.5 Ų141.583%0.83272%0.716SS**  trans-73.589.9162.5-163.7-170.9165.500107.1V222V222-E224 PolarHBondContact O-N 2.86Å
225N29.3Very low42.5Very low145 Ų145138.9 Ų138.978%0.77572%0.719SS**SBendtrans166.4120.5143.5-82.5-38.3000109P223 E227P223-N225 VanDerWaalsContact C-N 3.29Å; P223-N225 PolarHBondContact O-N 3.42Å; N225-E227 PolarHBondContact O-N 3.25Å
226G40.8Very low40.8Very low77 Ų77146.4 Ų146.479%0.79474%0.744SS**  trans-69.5114.8171.600000110.1
227E31.8Very low39Very low182 Ų182146.7 Ų146.785%0.8575%0.754SS**  trans166.496141.6-92.6174.8-174.700108.2N225N225-E227 PolarHBondContact O-N 3.25Å
228D30.5Very low37.4Very low163 Ų163151.4 Ų151.487%0.87278%0.777SS**  trans161.577.5145.6-86.9-27.1000111.3
229Q32Very low35.5Very low198 Ų198150.2 Ų150.293%0.92578%0.782SS**  trans-110.873.2164.6-79.5-175.231.200110.9
230R33.2Very low34.6Very low233 Ų233152 Ų15288%0.87979%0.793SS**  trans-136.878150.5-81.2-172.5175173.2-0.2109
231N26Very low34.3Very low131 Ų131149 Ų14970%0.70179%0.787SS**  trans178.382.1144.7-88.6-33.2000110.2K233N231-K233 PolarHBondContact O-N 3.3Å
232A35.6Very low34.8Very low117 Ų117144.4 Ų144.497%0.96776%0.761SS**  trans-7171.2155.900000108.8
233K30.9Very low35.8Very low173 Ų173141.8 Ų141.875%0.75276%0.759SS**  trans-91.2120.1167.2-93.3179.5176.5173.30107.5N231N231-K233 PolarHBondContact O-N 3.3Å
234R30.9Very low37.6Very low237 Ų237136.5 Ų136.589%0.89472%0.724SS**  trans2.8122.1164-73.8176.1172.5172.6-3.3114.4K236R234-K236 PolarHBondContact O-N 3Å
235A30.2Very low39.1Very low108 Ų108135 Ų13589%0.89372%0.717SS**  trans-39.1105.5162.700000109.1M237A235-M237 PolarHBondContact O-N 3.15Å
236K28.6Very low41.1Very low187 Ų187130.7 Ų130.781%0.81371%0.708SS**  trans-68116179.3-162.1177.2-178-173.70104.5R234 D238R234-K236 PolarHBondContact O-N 3Å; K236-D238 PolarHBondContact O-N 3.07Å
237M30.6Very low43.1Very low163 Ų163129 Ų12980%0.80368%0.68SS**  trans-51.8111.3163.8-108164.374.600105.9A235 T239A235-M237 PolarHBondContact O-N 3.15Å; M237-T239 VanDerWaalsContact C-N 3.3Å; M237-T239 PolarHBondContact O-N 3.03Å; M237-T239 PolarHBondContact O-OG1 2.73Å; M237-T239 VanDerWaalsContact O-OG1 3.11Å
238D32.4Very low45.6Very low107 Ų107125.8 Ų125.857%0.57266%0.661SS**  trans-56.6102.3168.8-84-19.2000106K126 K236 E240K126-D238 IonicContact NZ-OD2 3.77Å; K126-D238 PolarHBondContact NZ-OD2 2.75Å; K236-D238 PolarHBondContact O-N 3.07Å; D238-E240 PolarHBondContact O-N 3.15Å
239T34.1Very low48.3Very low114 Ų114118 Ų11870%0.69962%0.619SS**  trans-83.754.4177.1-41.20000107.9M237 T241M237-T239 VanDerWaalsContact C-N 3.3Å; M237-T239 PolarHBondContact O-N 3.03Å; M237-T239 PolarHBondContact O-OG1 2.73Å; M237-T239 VanDerWaalsContact O-OG1 3.11Å; T239-T241 HydrophobicContact CG2-CG2 4.41Å
240E43.2Very low50.9Low120 Ų120109.4 Ų109.456%0.56158%0.579SS**  trans-87.498.4157.2-75.5177169.700104.1D238 H242D238-E240 PolarHBondContact O-N 3.15Å; E240-H242 WeakPolarHBondContact CB-CE1 3.28Å; E240-H242 PolarHBondContact O-N 3.41Å; E240-H242 PolarHBondContact O-ND1 2.66Å; E240-H242 IonicContact OE2-CE1 2.84Å; E240-H242 PolarHBondContact OE2-CE1 3.2Å; E240-H242 VanDerWaalsContact OE2-CE1 3.28Å; E240-H242 IonicContact OE2-NE2 2.81Å
241T47.2Very low53.6Low103 Ų10398.5 Ų98.563%0.63254%0.538SS*.  trans-66.389.5174.746.50000107.6T239 G243T239-T241 HydrophobicContact CG2-CG2 4.41Å; T241-G243 PolarHBondContact O-N 2.69Å
242H55Low56.7Low58 Ų5892.8 Ų92.827%0.26951%0.507SS..  trans-73.816.3-174.1-76.391.9000113.8S122 L211 L213 E240 D244S122-H242 VanDerWaalsContact CB-CB 3.46Å; L211-H242 VanDerWaalsContact CD2-O 3.24Å; L211-H242 WeakPolarHBondContact CD2-O 3.43Å; L213-H242 VanDerWaalsContact CD2-CD2 3.48Å; L213-H242 WeakPolarHBondContact CD2-CD2 3.34Å; E240-H242 WeakPolarHBondContact CB-CE1 3.28Å; E240-H242 PolarHBondContact O-N 3.41Å; E240-H242 PolarHBondContact O-ND1 2.66Å; E240-H242 IonicContact OE2-CE1 2.84Å; E240-H242 PolarHBondContact OE2-CE1 3.2Å; E240-H242 VanDerWaalsContact OE2-CE1 3.28Å; E240-H242 IonicContact OE2-NE2 2.81Å; H242-D244 VanDerWaalsContact CB-OD1 3.31Å; H242-D244 WeakPolarHBondContact CB-OD1 3.48Å; H242-D244 PolarHBondContact O-N 2.73Å
243G60.5Low59.2Low68 Ų6888.1 Ų88.170%0.70147%0.466SS*.SBendtrans67.30.1177.900000115.2T241T241-G243 PolarHBondContact O-N 2.69Å
244D70.6Confident61.9Low4 Ų483.7 Ų83.72%0.02145%0.448CS..  trans-115.216.3-178.770-25.4000114T120 M121 S122 L211 H242 G246 I247T120-D244 WeakPolarHBondContact CB-OD2 3.41Å; M121-D244 PolarHBondContact N-OD2 3.02Å; M121-D244 VanDerWaalsContact N-OD2 3.17Å; S122-D244 WeakPolarHBondContact CB-OD1 3.4Å; S122-D244 VanDerWaalsContact CB-OD2 3.28Å; S122-D244 WeakPolarHBondContact CB-OD2 3.28Å; S122-D244 PolarHBondContact N-OD2 2.95Å; S122-D244 PolarHBondContact OG-OD1 3.09Å; S122-D244 PolarHBondContact OG-OD2 2.97Å; L211-D244 HydrophobicContact CD1-CB 3.73Å; L211-D244 HydrophobicContact CD2-CB 4.36Å; H242-D244 VanDerWaalsContact CB-OD1 3.31Å; H242-D244 WeakPolarHBondContact CB-OD1 3.48Å; H242-D244 PolarHBondContact O-N 2.73Å; D244-G246 PolarHBondContact O-N 3.49Å; D244-G246 VanDerWaalsContact O-N 3.11Å; D244-I247 PolarHBondContact O-N 3.39Å; D244-I247 VanDerWaalsContact O-N 3.08Å
245E68.1Low64.7Low146 Ų14673.3 Ų73.368%0.68241%0.408SS*.THydrogen-bonded Turntrans-61.2114.8174.3-67-160.617700110.7
246G71.5Confident67.6Low56 Ų5668.2 Ų68.258%0.57737%0.366SS*.THydrogen-bonded Turntrans102.8-6.5-178.800000115.2D244D244-G246 PolarHBondContact O-N 3.49Å; D244-G246 VanDerWaalsContact O-N 3.11Å
247I81.4Confident70.6Confident41 Ų4160.8 Ų60.821%0.2133%0.334CS..  trans-99.496.4174.7-53.6175.3000109.2R162 P209 D244R162-I247 HydrophobicContact CG-CG2 4.23Å; P209-I247 HydrophobicContact CB-CD1 4.12Å; P209-I247 HydrophobicContact CG-CD1 4.1Å; D244-I247 PolarHBondContact O-N 3.39Å; D244-I247 VanDerWaalsContact O-N 3.08Å
248Y85.3Confident73.4Confident115 Ų11553.7 Ų53.745%0.45130%0.299SS..  trans-93.2139.3175.9-62.6-77.4000111.4H118 M119 T120 R162 C163H118-Y248 HydrophobicContact CB-CD1 4.33Å; H118-Y248 HydrophobicContact CB-CG 4.46Å; M119-Y248 CarbonylContact O-C 3.57Å; M119-Y248 WeakPolarHBondContact O-CA 3.15Å; T120-Y248 HydrophobicContact CG2-CD1 4.28Å; T120-Y248 HydrophobicContact CG2-CE1 4.14Å; R162-Y248 WeakPolarHBondContact CA-O 3.36Å; C163-Y248 PolarHBondContact N-O 3Å; C163-Y248 PolarHBondContact SG-O 3.26Å; C163-Y248 VanDerWaalsContact SG-O 3.36Å
249W86.9Confident76.2Confident0 Ų049.7 Ų49.70%028%0.277CS..EExtended strand (participates in β ladder)trans-106146.6175.7-64.890.9000110.5M119 F151 V155 L160 R162 S207M119-W249 PolarHBondContact N-O 3.45Å; M119-W249 PolarHBondContact O-N 3.44Å; F151-W249 AromaticContact CE1-CD2 3.96Å; F151-W249 HydrophobicContact CE1-CD2 3.96Å; F151-W249 AromaticContact CE1-CE2 3.84Å; F151-W249 HydrophobicContact CE1-CE3 4.37Å; F151-W249 HydrophobicContact CE1-CG 4.31Å; F151-W249 HydrophobicContact CE1-CZ2 4.13Å; F151-W249 HydrophobicContact CZ-CB 4.17Å; F151-W249 AromaticContact CZ-CD1 3.84Å; F151-W249 AromaticContact CZ-CD2 3.75Å; F151-W249 HydrophobicContact CZ-CD2 3.75Å; F151-W249 AromaticContact CZ-CE2 3.98Å; F151-W249 HydrophobicContact CZ-CE3 4.33Å; F151-W249 AromaticContact CZ-CG 3.65Å; F151-W249 HydrophobicContact CZ-CG 3.65Å; V155-W249 HydrophobicContact CB-CH2 4.4Å; V155-W249 HydrophobicContact CB-CZ3 4.27Å; V155-W249 HydrophobicContact CG1-CH2 3.76Å; V155-W249 HydrophobicContact CG1-CZ3 3.75Å; V155-W249 HydrophobicContact CG2-CE3 4.05Å; V155-W249 HydrophobicContact CG2-CH2 3.67Å; V155-W249 HydrophobicContact CG2-CZ2 4.47Å; V155-W249 HydrophobicContact CG2-CZ3 3.43Å; V155-W249 VanDerWaalsContact CG2-CZ3 3.43Å; L160-W249 HydrophobicContact CB-CE3 4.28Å; R162-W249 HydrophobicContact CG-CD2 4.13Å; R162-W249 HydrophobicContact CG-CE3 3.86Å; R162-W249 HydrophobicContact CG-CH2 3.61Å; R162-W249 HydrophobicContact CG-CZ2 3.87Å; R162-W249 HydrophobicContact CG-CZ3 3.59Å; S207-W249 WeakPolarHBondContact O-CH2 3.38Å
250Q87Confident79Confident16 Ų1644.6 Ų44.68%0.07525%0.245CC..EExtended strand (participates in β ladder)trans-136157172.363.2-179.8-11.700109.8H118 Q161H118-Q250 PolarHBondContact CE1-OE1 3.34Å; Q161-Q250 HydrophobicContact CG-CG 3.54Å; Q161-Q250 PolarHBondContact N-O 2.97Å; Q161-Q250 PolarHBondContact O-N 2.7Å; Q161-Q250 VanDerWaalsContact O-O 3.09Å
251V90Very high81.3Confident5 Ų539.6 Ų39.63%0.0322%0.221CC..EExtended strand (participates in β ladder)trans-70.5132.2173.6-175.90000109.7I110 L113 L114 L160 F253 F256I110-V251 HydrophobicContact CD1-CG1 4.42Å; I110-V251 HydrophobicContact CD1-CG2 4.16Å; L113-V251 HydrophobicContact CB-CG2 3.82Å; L113-V251 HydrophobicContact CD1-CG2 4.48Å; L114-V251 HydrophobicContact CD2-CB 4.06Å; L114-V251 HydrophobicContact CD2-CG1 4.34Å; L114-V251 HydrophobicContact CD2-CG2 3.78Å; L114-V251 HydrophobicContact CG-CG2 4.09Å; L160-V251 HydrophobicContact CD2-CG2 4.4Å; V251-F253 HydrophobicContact CB-CE1 4.45Å; V251-F253 HydrophobicContact CG1-CD1 4.42Å; V251-F253 HydrophobicContact CG1-CE1 4.4Å; V251-F253 PolarHBondContact O-N 3.28Å; V251-F256 HydrophobicContact CG1-CD2 3.97Å; V251-F256 HydrophobicContact CG1-CE2 3.48Å; V251-F256 VanDerWaalsContact CG1-CE2 3.48Å; V251-F256 HydrophobicContact CG1-CZ 4.48Å
252N89.8Confident83.5Confident10 Ų1035 Ų355%0.05319%0.193CC..  trans-87.391.5173.3-174.66.9000110.6H158 F159 Q161 E254 R255 F256H158-N252 VanDerWaalsContact O-CB 3.32Å; H158-N252 WeakPolarHBondContact O-CB 3.49Å; H158-N252 PolarHBondContact O-ND2 3.17Å; F159-N252 WeakPolarHBondContact O-CB 3.4Å; F159-N252 PolarHBondContact O-N 2.86Å; Q161-N252 HydrophobicContact CB-CB 4.29Å; Q161-N252 HydrophobicContact CG-CB 3.99Å; N252-E254 PolarHBondContact O-N 3.02Å; N252-E254 WeakPolarHBondContact OD1-CB 3.46Å; N252-E254 PolarHBondContact OD1-N 3.3Å; N252-R255 HydrophobicContact CB-CB 4.33Å; N252-R255 PolarHBondContact O-N 3.43Å; N252-F256 WeakPolarHBondContact O-CD2 3.48Å
253F88.9Confident85.3Confident20 Ų2036 Ų369%0.08820%0.197CC..Hα-helixtrans-59.4-31.1178.3-59.4-63.1000113.9R87 Y91 Y94 L114 V251 R255 F256 H257R87-F253 VanDerWaalsContact NH1-CB 3.25Å; Y91-F253 HydrophobicContact CE1-CE1 4.02Å; Y91-F253 HydrophobicContact CE1-CZ 4.2Å; Y94-F253 HydrophobicContact CD2-CD1 4.07Å; Y94-F253 HydrophobicContact CD2-CE1 4.05Å; Y94-F253 AromaticContact CE2-CD1 3.43Å; Y94-F253 HydrophobicContact CE2-CD1 3.43Å; Y94-F253 VanDerWaalsContact CE2-CD1 3.43Å; Y94-F253 AromaticContact CE2-CE1 3.64Å; Y94-F253 HydrophobicContact CE2-CE1 3.64Å; Y94-F253 AromaticContact CZ-CD1 3.72Å; L114-F253 HydrophobicContact CD2-CE1 3.74Å; L114-F253 HydrophobicContact CD2-CZ 4.07Å; V251-F253 HydrophobicContact CB-CE1 4.45Å; V251-F253 HydrophobicContact CG1-CD1 4.42Å; V251-F253 HydrophobicContact CG1-CE1 4.4Å; V251-F253 PolarHBondContact O-N 3.28Å; F253-R255 VanDerWaalsContact C-N 3.31Å; F253-R255 PolarHBondContact O-N 3.06Å; F253-F256 PolarHBondContact O-N 2.96Å; F253-H257 PolarHBondContact O-CD2 2.9Å; F253-H257 VanDerWaalsContact O-CG 3.29Å; F253-H257 PolarHBondContact O-N 3.09Å
254E87.3Confident86.8Confident80 Ų8033.6 Ų33.637%0.37417%0.171SC..Hα-helixtrans-66.1-36.7-178.6-172.7173.2178.700111.2N252 H257 Q258 A294N252-E254 PolarHBondContact O-N 3.02Å; N252-E254 WeakPolarHBondContact OD1-CB 3.46Å; N252-E254 PolarHBondContact OD1-N 3.3Å; E254-H257 PolarHBondContact O-N 3.01Å; E254-Q258 PolarHBondContact O-N 3.18Å; E254-A294 HydrophobicContact CG-CB 3.56Å; E254-A294 WeakPolarHBondContact OE1-CB 3.43Å
255R89.4Confident87.8Confident18 Ų1833.4 Ų33.47%0.06817%0.17CC..Hα-helixtrans-65.5-40.3174.9-178.261.3-177.4126.112112.2T157 H158 F159 N252 F253 H257 Q258 H259 E289T157-R255 PolarHBondContact O-NE 2.94Å; T157-R255 VanDerWaalsContact O-NE 3.16Å; H158-R255 WeakPolarHBondContact O-CB 3.49Å; F159-R255 HydrophobicContact CD1-CB 4.38Å; F159-R255 HydrophobicContact CD1-CG 3.77Å; F159-R255 HydrophobicContact CD2-CG 4.34Å; F159-R255 HydrophobicContact CE1-CG 3.88Å; F159-R255 HydrophobicContact CE2-CG 4.42Å; F159-R255 HydrophobicContact CG-CG 4.03Å; F159-R255 HydrophobicContact CZ-CG 4.21Å; N252-R255 HydrophobicContact CB-CB 4.33Å; N252-R255 PolarHBondContact O-N 3.43Å; F253-R255 VanDerWaalsContact C-N 3.31Å; F253-R255 PolarHBondContact O-N 3.06Å; R255-H257 VanDerWaalsContact C-N 3.34Å; R255-Q258 WeakPolarHBondContact O-CB 3.41Å; R255-Q258 PolarHBondContact O-N 3.11Å; R255-H259 PolarHBondContact O-N 3.35Å; R255-E289 IonicContact CZ-OE1 3.43Å; R255-E289 IonicContact CZ-OE2 3.85Å; R255-E289 IonicContact NH1-OE1 3Å; R255-E289 PolarHBondContact NH1-OE1 3.38Å; R255-E289 IonicContact NH2-OE1 2.59Å; R255-E289 PolarHBondContact NH2-OE1 3.4Å; R255-E289 IonicContact NH2-OE2 3.62Å; R255-E289 PolarHBondContact NH2-OE2 2.96Å
256F91.6Very high89Confident1 Ų126.8 Ų26.80%0.00414%0.139CC..Hα-helixtrans-63.4-41173.1-78.3-82.4000111.9Y94 T97 I110 F159 V251 N252 F253 Q258 H259 F260Y94-F256 HydrophobicContact CD1-CB 3.54Å; Y94-F256 AromaticContact CD1-CD1 3.74Å; Y94-F256 HydrophobicContact CD1-CD1 3.74Å; Y94-F256 HydrophobicContact CD1-CD2 4.14Å; Y94-F256 HydrophobicContact CD1-CE1 4.47Å; Y94-F256 AromaticContact CD1-CG 3.54Å; Y94-F256 HydrophobicContact CD1-CG 3.54Å; Y94-F256 HydrophobicContact CE1-CB 3.57Å; Y94-F256 HydrophobicContact CE1-CG 4.07Å; Y94-F256 HydrophobicContact CG-CD1 4.39Å; Y94-F256 HydrophobicContact CG-CG 4.3Å; Y94-F256 WeakPolarHBondContact O-CE1 3.42Å; T97-F256 HydrophobicContact CG2-CD1 4.17Å; T97-F256 HydrophobicContact CG2-CE1 4.19Å; I110-F256 HydrophobicContact CD1-CZ 4.34Å; I110-F256 HydrophobicContact CG1-CZ 4.49Å; I110-F256 HydrophobicContact CG2-CZ 4.49Å; F159-F256 HydrophobicContact CB-CE2 4.35Å; F159-F256 HydrophobicContact CD1-CD1 4.03Å; F159-F256 AromaticContact CD1-CD2 3.83Å; F159-F256 HydrophobicContact CD1-CD2 3.83Å; F159-F256 AromaticContact CD1-CE1 3.78Å; F159-F256 HydrophobicContact CD1-CE1 3.78Å; F159-F256 AromaticContact CD1-CE2 3.54Å; F159-F256 HydrophobicContact CD1-CE2 3.54Å; F159-F256 HydrophobicContact CD1-CG 4.06Å; F159-F256 AromaticContact CD1-CZ 3.52Å; F159-F256 HydrophobicContact CD1-CZ 3.52Å; F159-F256 AromaticContact CE1-CD1 3.87Å; F159-F256 HydrophobicContact CE1-CD1 3.87Å; F159-F256 HydrophobicContact CE1-CD2 4.37Å; F159-F256 AromaticContact CE1-CE1 3.86Å; F159-F256 HydrophobicContact CE1-CE1 3.86Å; F159-F256 HydrophobicContact CE1-CE2 4.34Å; F159-F256 HydrophobicContact CE1-CG 4.13Å; F159-F256 HydrophobicContact CE1-CZ 4.11Å; F159-F256 HydrophobicContact CG-CE2 4.4Å; F159-F256 HydrophobicContact CG-CZ 4.37Å; V251-F256 HydrophobicContact CG1-CD2 3.97Å; V251-F256 HydrophobicContact CG1-CE2 3.48Å; V251-F256 VanDerWaalsContact CG1-CE2 3.48Å; V251-F256 HydrophobicContact CG1-CZ 4.48Å; N252-F256 WeakPolarHBondContact O-CD2 3.48Å; F253-F256 PolarHBondContact O-N 2.96Å; F256-Q258 VanDerWaalsContact C-N 3.33Å; F256-Q258 PolarHBondContact O-N 2.87Å; F256-H259 WeakPolarHBondContact O-CB 3.33Å; F256-H259 PolarHBondContact O-N 2.79Å; F256-F260 HydrophobicContact CB-CE2 4.29Å; F256-F260 HydrophobicContact CB-CZ 4.34Å; F256-F260 HydrophobicContact CD1-CZ 4.28Å; F256-F260 WeakPolarHBondContact O-CD2 3.49Å; F256-F260 WeakPolarHBondContact O-CG 3.48Å; F256-F260 PolarHBondContact O-N 3.4Å
257H91.3Very high90.1Very high31 Ų3127 Ų2714%0.14413%0.132CC..Hα-helixtrans-63.6-40176.2-66173.9000111.7R90 Y94 F253 E254 R255 H259 F260 R261 F535R90-H257 PolarHBondContact NH1-NE2 3.41Å; Y94-H257 AromaticContact CZ-NE2 3.91Å; Y94-H257 PolarHBondContact OH-NE2 3.3Å; F253-H257 PolarHBondContact O-CD2 2.9Å; F253-H257 VanDerWaalsContact O-CG 3.29Å; F253-H257 PolarHBondContact O-N 3.09Å; E254-H257 PolarHBondContact O-N 3.01Å; R255-H257 VanDerWaalsContact C-N 3.34Å; H257-H259 PolarHBondContact O-N 2.85Å; H257-F260 PolarHBondContact O-N 3.04Å; H257-R261 WeakPolarHBondContact O-CB 3.48Å; H257-R261 PolarHBondContact O-N 3.28Å; H257-F535 HydrophobicContact CB-CE2 3.84Å; H257-F535 HydrophobicContact CB-CZ 4.43Å; H257-F535 AromaticContact CG-CE2 3.92Å; H257-F535 WeakPolarHBondContact O-CZ 3.49Å
258Q89.7Confident90.5Very high14 Ų1426 Ų267%0.06513%0.13CC..Hα-helixtrans-58.6-47.8172.4-169.1-175.618.700111E254 R255 F256 F260 R261 D262 E289E254-Q258 PolarHBondContact O-N 3.18Å; R255-Q258 WeakPolarHBondContact O-CB 3.41Å; R255-Q258 PolarHBondContact O-N 3.11Å; F256-Q258 VanDerWaalsContact C-N 3.33Å; F256-Q258 PolarHBondContact O-N 2.87Å; Q258-F260 PolarHBondContact O-N 3.22Å; Q258-R261 PolarHBondContact O-N 3Å; Q258-D262 WeakPolarHBondContact O-CB 3.43Å; Q258-D262 PolarHBondContact O-N 2.85Å; Q258-E289 PolarHBondContact NE2-O 3.13Å
259H92Very high90.9Very high24 Ų2420.6 Ų20.611%0.11111%0.109CC..Hα-helixtrans-59.9-44.2176.9-17376.1000112.3R255 F256 H257 D262 Q263R255-H259 PolarHBondContact O-N 3.35Å; F256-H259 WeakPolarHBondContact O-CB 3.33Å; F256-H259 PolarHBondContact O-N 2.79Å; H257-H259 PolarHBondContact O-N 2.85Å; H259-D262 PolarHBondContact O-N 3.35Å; H259-Q263 PolarHBondContact CE1-NE2 2.77Å; H259-Q263 VanDerWaalsContact CE1-NE2 3.32Å; H259-Q263 PolarHBondContact NE2-NE2 3.04Å; H259-Q263 VanDerWaalsContact O-CG 3.31Å; H259-Q263 WeakPolarHBondContact O-CG 3.46Å; H259-Q263 PolarHBondContact O-N 3.48Å
260F92.7Very high91.2Very high6 Ų621.7 Ų21.73%0.02612%0.118CC..Hα-helixtrans-65.8-39.6178.9-63.3-21.1000113.2R93 Y94 T97 F256 H257 Q258 D262 A264 F535R93-F260 HydrophobicContact CB-CZ 4.39Å; R93-F260 HydrophobicContact CG-CE1 4.17Å; R93-F260 HydrophobicContact CG-CE2 4.04Å; R93-F260 HydrophobicContact CG-CZ 3.64Å; Y94-F260 AromaticContact CD1-CE2 3.76Å; Y94-F260 HydrophobicContact CD1-CE2 3.76Å; Y94-F260 AromaticContact CD1-CZ 3.82Å; Y94-F260 HydrophobicContact CD1-CZ 3.82Å; Y94-F260 AromaticContact CE1-CE2 3.62Å; Y94-F260 HydrophobicContact CE1-CE2 3.62Å; Y94-F260 HydrophobicContact CE1-CZ 4.17Å; T97-F260 HydrophobicContact CG2-CE1 3.96Å; T97-F260 WeakPolarHBondContact OG1-CE1 3.39Å; F256-F260 HydrophobicContact CB-CE2 4.29Å; F256-F260 HydrophobicContact CB-CZ 4.34Å; F256-F260 HydrophobicContact CD1-CZ 4.28Å; F256-F260 WeakPolarHBondContact O-CD2 3.49Å; F256-F260 WeakPolarHBondContact O-CG 3.48Å; F256-F260 PolarHBondContact O-N 3.4Å; H257-F260 PolarHBondContact O-N 3.04Å; Q258-F260 PolarHBondContact O-N 3.22Å; F260-D262 VanDerWaalsContact C-N 3.33Å; F260-A264 WeakPolarHBondContact O-CB 2.89Å; F260-A264 PolarHBondContact O-N 3.36Å; F260-F535 HydrophobicContact CB-CD1 4.19Å; F260-F535 HydrophobicContact CB-CE1 3.48Å; F260-F535 VanDerWaalsContact CB-CE1 3.48Å; F260-F535 HydrophobicContact CB-CE2 4.16Å; F260-F535 HydrophobicContact CB-CZ 3.48Å; F260-F535 VanDerWaalsContact CB-CZ 3.48Å; F260-F535 HydrophobicContact CD2-CE2 4.41Å
261R91.9Very high91.4Very high15 Ų1527.9 Ų27.96%0.05715%0.151CC..Hα-helixtrans-59.7-49173178.2-165.169.8-168.14.2110H257 Q258 Q263 A264 I265 A294 L356 F535H257-R261 WeakPolarHBondContact O-CB 3.48Å; H257-R261 PolarHBondContact O-N 3.28Å; Q258-R261 PolarHBondContact O-N 3Å; R261-Q263 PolarHBondContact O-N 3.23Å; R261-A264 PolarHBondContact O-N 3.04Å; R261-I265 HydrophobicContact CG-CD1 4.02Å; R261-I265 VanDerWaalsContact O-CG1 3.31Å; R261-I265 WeakPolarHBondContact O-CG1 3.33Å; R261-I265 PolarHBondContact O-N 3.26Å; R261-A294 PolarHBondContact NH1-O 3.45Å; R261-L356 HydrophobicContact CG-CD2 4.13Å; R261-L356 HydrophobicContact CG-CG 4.5Å; R261-F535 HydrophobicContact CB-CZ 4.33Å
262D91.8Very high91.3Very high7 Ų731.6 Ų31.64%0.03717%0.167CC..Hα-helixtrans-64.5-43.2-176.8-63.6-9000110.5Q258 H259 F260 A264 I265 I266 L285Q258-D262 WeakPolarHBondContact O-CB 3.43Å; Q258-D262 PolarHBondContact O-N 2.85Å; H259-D262 PolarHBondContact O-N 3.35Å; F260-D262 VanDerWaalsContact C-N 3.33Å; D262-A264 PolarHBondContact O-N 3.17Å; D262-I265 PolarHBondContact O-N 2.92Å; D262-I266 WeakPolarHBondContact O-CB 3.43Å; D262-I266 VanDerWaalsContact O-CD1 3.28Å; D262-I266 WeakPolarHBondContact O-CD1 3.48Å; D262-I266 WeakPolarHBondContact O-CG1 3.28Å; D262-I266 PolarHBondContact O-N 2.89Å; D262-L285 HydrophobicContact CB-CB 4.39Å; D262-L285 HydrophobicContact CB-CD1 3.91Å
263Q92.9Very high91.2Very high78 Ų7833.8 Ų33.836%0.36418%0.179SC..Hα-helixtrans-60.4-41.6173-69.3-64.1-11.900113H259 R261 I265 I266 S267H259-Q263 PolarHBondContact CE1-NE2 2.77Å; H259-Q263 VanDerWaalsContact CE1-NE2 3.32Å; H259-Q263 PolarHBondContact NE2-NE2 3.04Å; H259-Q263 VanDerWaalsContact O-CG 3.31Å; H259-Q263 WeakPolarHBondContact O-CG 3.46Å; H259-Q263 PolarHBondContact O-N 3.48Å; R261-Q263 PolarHBondContact O-N 3.23Å; Q263-I265 VanDerWaalsContact C-N 3.34Å; Q263-I265 PolarHBondContact O-N 2.99Å; Q263-I266 PolarHBondContact O-N 2.92Å; Q263-S267 WeakPolarHBondContact O-CB 3.13Å; Q263-S267 PolarHBondContact O-N 3.25Å; Q263-S267 PolarHBondContact O-OG 3.41Å
264A92.7Very high91.3Very high19 Ų1934.9 Ų34.916%0.15719%0.186CC..Hα-helixtrans-62.5-42.7177.200000111.4F260 R261 D262 S267 A268 L359F260-A264 WeakPolarHBondContact O-CB 2.89Å; F260-A264 PolarHBondContact O-N 3.36Å; R261-A264 PolarHBondContact O-N 3.04Å; D262-A264 PolarHBondContact O-N 3.17Å; A264-S267 PolarHBondContact O-OG 2.99Å; A264-A268 WeakPolarHBondContact O-CB 3.27Å; A264-A268 PolarHBondContact O-N 2.72Å; A264-L359 HydrophobicContact CB-CD1 3.86Å
265I92.4Very high91.5Very high0 Ų036 Ų360%019%0.191CC..Hα-helixtrans-64.1-46.1176.1-63.9170.9000110.6R261 D262 Q263 S267 A268 V269 V281 L285 L352 A355 L359R261-I265 HydrophobicContact CG-CD1 4.02Å; R261-I265 VanDerWaalsContact O-CG1 3.31Å; R261-I265 WeakPolarHBondContact O-CG1 3.33Å; R261-I265 PolarHBondContact O-N 3.26Å; D262-I265 PolarHBondContact O-N 2.92Å; Q263-I265 VanDerWaalsContact C-N 3.34Å; Q263-I265 PolarHBondContact O-N 2.99Å; I265-S267 PolarHBondContact O-N 3.37Å; I265-A268 PolarHBondContact O-N 2.97Å; I265-V269 WeakPolarHBondContact O-CG2 3.37Å; I265-V269 PolarHBondContact O-N 3.41Å; I265-V281 HydrophobicContact CG2-CG1 4.18Å; I265-L285 HydrophobicContact CB-CD1 4.44Å; I265-L285 HydrophobicContact CG2-CD1 4.35Å; I265-L352 HydrophobicContact CD1-CD2 3.83Å; I265-A355 HydrophobicContact CD1-CB 3.89Å; I265-A355 HydrophobicContact CG1-CB 3.87Å; I265-A355 HydrophobicContact CG2-CB 4.45Å; I265-L359 HydrophobicContact CG1-CD1 4.31Å
266I93.4Very high91.6Very high7 Ų736.7 Ų36.74%0.03620%0.197CC..Hα-helixtrans-61.9-44.9-179.6-66.5159.2000110.9D262 Q263 A268 V269 A270 R282 L285D262-I266 WeakPolarHBondContact O-CB 3.43Å; D262-I266 VanDerWaalsContact O-CD1 3.28Å; D262-I266 WeakPolarHBondContact O-CD1 3.48Å; D262-I266 WeakPolarHBondContact O-CG1 3.28Å; D262-I266 PolarHBondContact O-N 2.89Å; Q263-I266 PolarHBondContact O-N 2.92Å; I266-A268 VanDerWaalsContact C-N 3.34Å; I266-A268 PolarHBondContact O-N 3.39Å; I266-V269 PolarHBondContact O-N 2.7Å; I266-A270 WeakPolarHBondContact O-CB 3.48Å; I266-A270 PolarHBondContact O-N 2.95Å; I266-R282 HydrophobicContact CD1-CB 3.72Å; I266-R282 HydrophobicContact CD1-CG 3.84Å; I266-R282 HydrophobicContact CG1-CB 4.05Å; I266-R282 HydrophobicContact CG2-CB 4.47Å; I266-L285 HydrophobicContact CD1-CD1 4.31Å; I266-L285 HydrophobicContact CG1-CD1 4.05Å
267S93.4Very high91.6Very high59 Ų5936.6 Ų36.641%0.41320%0.197SC..Hα-helixtrans-63.5-38177.471.40000112.5Q263 A264 I265 A270 N271Q263-S267 WeakPolarHBondContact O-CB 3.13Å; Q263-S267 PolarHBondContact O-N 3.25Å; Q263-S267 PolarHBondContact O-OG 3.41Å; A264-S267 PolarHBondContact O-OG 2.99Å; I265-S267 PolarHBondContact O-N 3.37Å; S267-A270 PolarHBondContact O-N 3.18Å; S267-N271 WeakPolarHBondContact O-CB 3.46Å; S267-N271 VanDerWaalsContact O-CG 3.27Å; S267-N271 PolarHBondContact O-N 3.41Å; S267-N271 PolarHBondContact O-ND2 3.02Å
268A91.1Very high91.6Very high22 Ų2235.1 Ų35.118%0.18219%0.19CC..Hα-helixtrans-65.2-39.8174.900000112.5A264 I265 I266 K272 F336 L359A264-A268 WeakPolarHBondContact O-CB 3.27Å; A264-A268 PolarHBondContact O-N 2.72Å; I265-A268 PolarHBondContact O-N 2.97Å; I266-A268 VanDerWaalsContact C-N 3.34Å; I266-A268 PolarHBondContact O-N 3.39Å; A268-K272 WeakPolarHBondContact O-CB 3.44Å; A268-K272 PolarHBondContact O-N 2.98Å; A268-F336 HydrophobicContact CB-CZ 4.36Å; A268-L359 HydrophobicContact CB-CD2 3.84Å
269V92.4Very high91.7Very high1 Ų135.6 Ų35.61%0.00619%0.192CC..Hα-helixtrans-68.1-42.8175.6174.90000110.9I265 I266 N271 K272 L273 V281 L329 F336I265-V269 WeakPolarHBondContact O-CG2 3.37Å; I265-V269 PolarHBondContact O-N 3.41Å; I266-V269 PolarHBondContact O-N 2.7Å; V269-N271 VanDerWaalsContact C-N 3.35Å; V269-N271 PolarHBondContact O-N 3.16Å; V269-K272 PolarHBondContact O-N 3.24Å; V269-L273 HydrophobicContact CG1-CD1 4.35Å; V269-L273 PolarHBondContact O-N 2.89Å; V269-V281 HydrophobicContact CG1-CG2 4.21Å; V269-V281 HydrophobicContact CG2-CG2 4.36Å; V269-L329 HydrophobicContact CG1-CD2 4.26Å; V269-F336 HydrophobicContact CG2-CD2 4.26Å; V269-F336 HydrophobicContact CG2-CG 4.26Å
270A93.5Very high91.7Very high23 Ų2334.4 Ų34.419%0.1919%0.187CC..Hα-helixtrans-59.8-42.8178.100000112.6I266 S267 K272I266-A270 WeakPolarHBondContact O-CB 3.48Å; I266-A270 PolarHBondContact O-N 2.95Å; S267-A270 PolarHBondContact O-N 3.18Å; A270-K272 VanDerWaalsContact C-N 3.33Å; A270-K272 PolarHBondContact O-N 3.32Å
271N90.8Very high91.6Very high145 Ų14534.1 Ų34.178%0.77519%0.185SC*.Hα-helixtrans-72.7-25.5-179.8-71.2-24.3000113.4S267 V269S267-N271 WeakPolarHBondContact O-CB 3.46Å; S267-N271 VanDerWaalsContact O-CG 3.27Å; S267-N271 PolarHBondContact O-N 3.41Å; S267-N271 PolarHBondContact O-ND2 3.02Å; V269-N271 VanDerWaalsContact C-N 3.35Å; V269-N271 PolarHBondContact O-N 3.16Å
272K88.8Confident91.7Very high84 Ų8436.5 Ų36.537%0.36519%0.194SC..Hα-helixtrans-93.7-42-174.7-173.9178.8176-169.60113.1A268 V269 A270 D332 M334 F336A268-K272 WeakPolarHBondContact O-CB 3.44Å; A268-K272 PolarHBondContact O-N 2.98Å; V269-K272 PolarHBondContact O-N 3.24Å; A270-K272 VanDerWaalsContact C-N 3.33Å; A270-K272 PolarHBondContact O-N 3.32Å; K272-D332 WeakPolarHBondContact CE-OD1 3.31Å; K272-D332 IonicContact NZ-OD1 3.53Å; K272-D332 PolarHBondContact NZ-OD1 3.1Å; K272-D332 IonicContact NZ-OD2 2.65Å; K272-D332 PolarHBondContact NZ-OD2 3.35Å; K272-M334 HydrophobicContact CD-CG 4.42Å; K272-F336 HydrophobicContact CD-CE2 4.26Å
273L87.9Confident91.6Very high56 Ų5636.5 Ų36.529%0.29320%0.195SC..SBendtrans-107.2-87.9-177-63.9178.1000109.2V269 L328 L329V269-L273 HydrophobicContact CG1-CD1 4.35Å; V269-L273 PolarHBondContact O-N 2.89Å; L273-L328 HydrophobicContact CD1-CD2 3.9Å; L273-L328 HydrophobicContact CD2-CD2 3.69Å; L273-L328 HydrophobicContact CG-CD2 4.38Å; L273-L329 HydrophobicContact CD1-CD2 3.42Å; L273-L329 VanDerWaalsContact CD1-CD2 3.42Å; L273-L329 HydrophobicContact CD1-CG 4.23Å
274D90.9Very high91.6Very high43 Ų4332.8 Ų32.823%0.2318%0.177CC..  trans-166.9166.6-174.968.1-63.2000111T276 S277 S278D274-T276 VanDerWaalsContact C-N 3.31Å; D274-T276 PolarHBondContact O-N 3.42Å; D274-T276 VanDerWaalsContact OD2-CA 3.3Å; D274-T276 WeakPolarHBondContact OD2-CA 3.35Å; D274-T276 WeakPolarHBondContact OD2-CB 3.42Å; D274-T276 PolarHBondContact OD2-N 3.11Å; D274-S277 WeakPolarHBondContact OD1-CB 3.4Å; D274-S277 PolarHBondContact OD1-N 3.23Å; D274-S277 PolarHBondContact OD1-OG 3.39Å; D274-S277 PolarHBondContact OD2-N 3.03Å; D274-S278 PolarHBondContact O-N 2.86Å; D274-S278 VanDerWaalsContact O-N 3.17Å
275Q91.6Very high91.5Very high102 Ų10232 Ų3248%0.47717%0.171SC..Hα-helixtrans-64.9-33.5179.5-170.664.815.600112.4S278 E279Q275-S278 WeakPolarHBondContact O-CB 3.36Å; Q275-S278 PolarHBondContact O-N 3.15Å; Q275-S278 PolarHBondContact O-OG 2.88Å; Q275-E279 PolarHBondContact O-N 2.9Å; Q275-E279 VanDerWaalsContact O-N 3.09Å
276T90.7Very high91.3Very high33 Ų3340.7 Ų40.720%0.20220%0.203CC..Hα-helixtrans-70.8-43-179.1-53.20000111.2D274 S278 E279 I280 Y315 I317 Y325D274-T276 VanDerWaalsContact C-N 3.31Å; D274-T276 PolarHBondContact O-N 3.42Å; D274-T276 VanDerWaalsContact OD2-CA 3.3Å; D274-T276 WeakPolarHBondContact OD2-CA 3.35Å; D274-T276 WeakPolarHBondContact OD2-CB 3.42Å; D274-T276 PolarHBondContact OD2-N 3.11Å; T276-S278 VanDerWaalsContact C-N 3.27Å; T276-S278 PolarHBondContact O-N 3.38Å; T276-E279 WeakPolarHBondContact O-CB 3.46Å; T276-E279 PolarHBondContact O-N 3.4Å; T276-E279 VanDerWaalsContact O-N 3.13Å; T276-I280 WeakPolarHBondContact O-CG1 3.39Å; T276-I280 PolarHBondContact O-N 3.23Å; T276-I280 VanDerWaalsContact O-N 3.13Å; T276-Y315 HydrophobicContact CG2-CD1 4.38Å; T276-I317 HydrophobicContact CG2-CD1 3.37Å; T276-I317 HydrophobicContact CG2-CG1 4.36Å; T276-Y325 HydrophobicContact CG2-CE2 4.3Å
277S90.7Very high91Very high0 Ų043.7 Ų43.70%022%0.218CC..Hα-helixtrans-59.3-38.5170.6-65.80000112.5D274 E279 I280 V281 Y325D274-S277 WeakPolarHBondContact OD1-CB 3.4Å; D274-S277 PolarHBondContact OD1-N 3.23Å; D274-S277 PolarHBondContact OD1-OG 3.39Å; D274-S277 PolarHBondContact OD2-N 3.03Å; S277-E279 VanDerWaalsContact C-N 3.27Å; S277-E279 PolarHBondContact O-N 3.12Å; S277-I280 PolarHBondContact O-N 2.9Å; S277-V281 WeakPolarHBondContact O-CG2 3.4Å; S277-V281 PolarHBondContact O-N 3.48Å; S277-Y325 WeakPolarHBondContact OG-CD1 3.49Å
278S92.1Very high90.6Very high0 Ų041 Ų410%020%0.199CC..Hα-helixtrans-62.6-35.3176.588.70000112.3D274 Q275 T276 V281 R282D274-S278 PolarHBondContact O-N 2.86Å; D274-S278 VanDerWaalsContact O-N 3.17Å; Q275-S278 WeakPolarHBondContact O-CB 3.36Å; Q275-S278 PolarHBondContact O-N 3.15Å; Q275-S278 PolarHBondContact O-OG 2.88Å; T276-S278 VanDerWaalsContact C-N 3.27Å; T276-S278 PolarHBondContact O-N 3.38Å; S278-V281 PolarHBondContact O-N 3.34Å; S278-R282 VanDerWaalsContact O-CB 3.27Å; S278-R282 WeakPolarHBondContact O-CB 3.39Å; S278-R282 PolarHBondContact O-N 2.91Å
279E91.9Very high90.3Very high23 Ų2342.2 Ų42.211%0.10720%0.201CC..Hα-helixtrans-70.1-38.7177.2-170.263.1-138.600111.7Q275 T276 S277 R282 T283 Y315Q275-E279 PolarHBondContact O-N 2.9Å; Q275-E279 VanDerWaalsContact O-N 3.09Å; T276-E279 WeakPolarHBondContact O-CB 3.46Å; T276-E279 PolarHBondContact O-N 3.4Å; T276-E279 VanDerWaalsContact O-N 3.13Å; S277-E279 VanDerWaalsContact C-N 3.27Å; S277-E279 PolarHBondContact O-N 3.12Å; E279-R282 WeakPolarHBondContact O-CB 3.49Å; E279-R282 PolarHBondContact O-N 3.32Å; E279-R282 IonicContact OE2-CZ 3.26Å; E279-R282 IonicContact OE2-NH1 3.6Å; E279-R282 PolarHBondContact OE2-NH1 3.5Å; E279-T283 WeakPolarHBondContact O-CB 3.42Å; E279-T283 PolarHBondContact O-N 2.89Å; E279-T283 PolarHBondContact O-OG1 3.04Å; E279-Y315 HydrophobicContact CB-CE2 4.28Å; E279-Y315 HydrophobicContact CG-CD2 3.92Å; E279-Y315 HydrophobicContact CG-CE2 3.64Å
280I91.4Very high89.5Confident0 Ų047.5 Ų47.50%023%0.233CC..Hα-helixtrans-61.5-46.9174.8-63.3164.1000109.9T276 S277 T283 I284 I307 L311 L322 Y325 L326 L329T276-I280 WeakPolarHBondContact O-CG1 3.39Å; T276-I280 PolarHBondContact O-N 3.23Å; T276-I280 VanDerWaalsContact O-N 3.13Å; S277-I280 PolarHBondContact O-N 2.9Å; I280-T283 WeakPolarHBondContact O-CB 3.38Å; I280-T283 PolarHBondContact O-N 3.22Å; I280-I284 HydrophobicContact CG2-CD1 4.13Å; I280-I284 WeakPolarHBondContact O-CG1 3.49Å; I280-I284 PolarHBondContact O-N 3.28Å; I280-I307 HydrophobicContact CG2-CG2 4.3Å; I280-L311 HydrophobicContact CG1-CD2 4.36Å; I280-L322 HydrophobicContact CD1-CD1 3.65Å; I280-L322 HydrophobicContact CG1-CD1 3.89Å; I280-L322 HydrophobicContact CG2-CD1 4.14Å; I280-Y325 HydrophobicContact CD1-CD2 4.34Å; I280-Y325 HydrophobicContact CD1-CG 4.02Å; I280-L326 HydrophobicContact CG2-CD2 3.81Å; I280-L329 HydrophobicContact CG2-CD1 4.42Å
281V92Very high88.9Confident0 Ų049.3 Ų49.30%024%0.242CC..Hα-helixtrans-64.8-41176.8175.50000111.3I265 V269 S277 S278 T283 I284 L285 L329 V337I265-V281 HydrophobicContact CG2-CG1 4.18Å; V269-V281 HydrophobicContact CG1-CG2 4.21Å; V269-V281 HydrophobicContact CG2-CG2 4.36Å; S277-V281 WeakPolarHBondContact O-CG2 3.4Å; S277-V281 PolarHBondContact O-N 3.48Å; S278-V281 PolarHBondContact O-N 3.34Å; V281-T283 VanDerWaalsContact C-N 3.28Å; V281-T283 PolarHBondContact O-N 3.44Å; V281-I284 PolarHBondContact O-N 2.95Å; V281-L285 HydrophobicContact CG1-CD1 3.91Å; V281-L285 HydrophobicContact CG1-CG 4.35Å; V281-L285 WeakPolarHBondContact O-CG 3.31Å; V281-L285 PolarHBondContact O-N 2.96Å; V281-L329 HydrophobicContact CG2-CD1 4.24Å; V281-L329 HydrophobicContact CG2-CD2 4.23Å; V281-V337 HydrophobicContact CG2-CG2 4.16Å
282R92.8Very high88.3Confident64 Ų6443 Ų4324%0.24221%0.209CC..Hα-helixtrans-56.4-43.3173.1178.7-176.8-71.9107.2-0111.5I266 S278 E279 L285 R286I266-R282 HydrophobicContact CD1-CB 3.72Å; I266-R282 HydrophobicContact CD1-CG 3.84Å; I266-R282 HydrophobicContact CG1-CB 4.05Å; I266-R282 HydrophobicContact CG2-CB 4.47Å; S278-R282 VanDerWaalsContact O-CB 3.27Å; S278-R282 WeakPolarHBondContact O-CB 3.39Å; S278-R282 PolarHBondContact O-N 2.91Å; E279-R282 WeakPolarHBondContact O-CB 3.49Å; E279-R282 PolarHBondContact O-N 3.32Å; E279-R282 IonicContact OE2-CZ 3.26Å; E279-R282 IonicContact OE2-NH1 3.6Å; E279-R282 PolarHBondContact OE2-NH1 3.5Å; R282-L285 PolarHBondContact O-N 3.04Å; R282-R286 VanDerWaalsContact O-CB 3.31Å; R282-R286 WeakPolarHBondContact O-CB 3.42Å; R282-R286 PolarHBondContact O-N 3.2Å
283T91.1Very high87.7Confident8 Ų842 Ų425%0.04921%0.212CC..Hα-helixtrans-65.4-44.7179.4-57.70000111.4E279 I280 V281 L285 R286 M287 S310 L311E279-T283 WeakPolarHBondContact O-CB 3.42Å; E279-T283 PolarHBondContact O-N 2.89Å; E279-T283 PolarHBondContact O-OG1 3.04Å; I280-T283 WeakPolarHBondContact O-CB 3.38Å; I280-T283 PolarHBondContact O-N 3.22Å; V281-T283 VanDerWaalsContact C-N 3.28Å; V281-T283 PolarHBondContact O-N 3.44Å; T283-L285 PolarHBondContact O-N 2.87Å; T283-R286 PolarHBondContact O-N 3.15Å; T283-M287 WeakPolarHBondContact O-CG 3.38Å; T283-M287 PolarHBondContact O-N 3.09Å; T283-S310 WeakPolarHBondContact CG2-OG 3.21Å; T283-L311 HydrophobicContact CG2-CD2 4.38Å; T283-L311 HydrophobicContact CG2-CG 4.43Å
284I91.1Very high86.9Confident0 Ų040.7 Ų40.70%021%0.21CC..Hα-helixtrans-60.3-45.4175.7-67.2163.9000111.2I280 V281 M287 S288 L302 I307 L326 V350I280-I284 HydrophobicContact CG2-CD1 4.13Å; I280-I284 WeakPolarHBondContact O-CG1 3.49Å; I280-I284 PolarHBondContact O-N 3.28Å; V281-I284 PolarHBondContact O-N 2.95Å; I284-M287 PolarHBondContact O-N 3.14Å; I284-S288 WeakPolarHBondContact O-CB 3.28Å; I284-S288 PolarHBondContact O-N 2.92Å; I284-S288 VanDerWaalsContact O-N 3.17Å; I284-S288 PolarHBondContact O-OG 3.16Å; I284-L302 HydrophobicContact CB-CD1 4.44Å; I284-L302 HydrophobicContact CG2-CD1 4Å; I284-I307 HydrophobicContact CD1-CD1 3.87Å; I284-I307 HydrophobicContact CG1-CD1 3.68Å; I284-I307 HydrophobicContact CG1-CG1 3.9Å; I284-I307 HydrophobicContact CG1-CG2 4.37Å; I284-L326 HydrophobicContact CD1-CD2 4.47Å; I284-V350 HydrophobicContact CB-CG2 4.3Å; I284-V350 HydrophobicContact CG2-CG2 3.55Å
285L90.7Very high86.1Confident3 Ų342.3 Ų42.32%0.01622%0.221CC..Hα-helixtrans-65.8-42.1179-69.8172.4000111.4D262 I265 I266 V281 R282 T283 M287 S288 E289 T299 V350 L352D262-L285 HydrophobicContact CB-CB 4.39Å; D262-L285 HydrophobicContact CB-CD1 3.91Å; I265-L285 HydrophobicContact CB-CD1 4.44Å; I265-L285 HydrophobicContact CG2-CD1 4.35Å; I266-L285 HydrophobicContact CD1-CD1 4.31Å; I266-L285 HydrophobicContact CG1-CD1 4.05Å; V281-L285 HydrophobicContact CG1-CD1 3.91Å; V281-L285 HydrophobicContact CG1-CG 4.35Å; V281-L285 WeakPolarHBondContact O-CG 3.31Å; V281-L285 PolarHBondContact O-N 2.96Å; R282-L285 PolarHBondContact O-N 3.04Å; T283-L285 PolarHBondContact O-N 2.87Å; L285-M287 PolarHBondContact O-N 3.28Å; L285-S288 CarbonylContact O-C 3.57Å; L285-S288 WeakPolarHBondContact O-CA 3.41Å; L285-S288 WeakPolarHBondContact O-CB 3.36Å; L285-S288 PolarHBondContact O-N 3.01Å; L285-E289 WeakPolarHBondContact O-CG 3.39Å; L285-E289 PolarHBondContact O-N 3.16Å; L285-E289 VanDerWaalsContact O-N 3.13Å; L285-T299 HydrophobicContact CD2-CG2 4.18Å; L285-V350 HydrophobicContact CD2-CB 4.29Å; L285-V350 HydrophobicContact CD2-CG1 4.12Å; L285-V350 HydrophobicContact CD2-CG2 4.43Å; L285-L352 HydrophobicContact CD2-CD2 4.02Å
286R89.5Confident85.6Confident182 Ų18238.7 Ų38.769%0.68721%0.208SC*.Hα-helixtrans-59.4-43.3177.3-170.1177-178-177.90.9112.5R282 T283 S288 E289R282-R286 VanDerWaalsContact O-CB 3.31Å; R282-R286 WeakPolarHBondContact O-CB 3.42Å; R282-R286 PolarHBondContact O-N 3.2Å; T283-R286 PolarHBondContact O-N 3.15Å; R286-S288 PolarHBondContact O-N 3.4Å; R286-E289 WeakPolarHBondContact O-CG 3.21Å; R286-E289 PolarHBondContact O-N 3.08Å
287M86.5Confident85.2Confident70 Ų7039.2 Ų39.235%0.34522%0.216SC..Hα-helixtrans-67.3-25.2174.6-67-173.37400112.8T283 I284 L285 L302 E306 S310T283-M287 WeakPolarHBondContact O-CG 3.38Å; T283-M287 PolarHBondContact O-N 3.09Å; I284-M287 PolarHBondContact O-N 3.14Å; L285-M287 PolarHBondContact O-N 3.28Å; M287-L302 HydrophobicContact CB-CD1 3.76Å; M287-L302 HydrophobicContact CG-CD1 4.49Å; M287-L302 HydrophobicContact SD-CD1 4.08Å; M287-E306 HydrophobicContact CE-CB 4.19Å; M287-S310 VanDerWaalsContact SD-CB 3.52Å; M287-S310 PolarHBondContact SD-OG 3.09Å
288S86.2Confident85Confident3 Ų342 Ų422%0.02124%0.235CC..Hα-helixtrans-88.5-6.4-177.4-59.60000113.6I284 L285 R286 V290 T291 T292I284-S288 WeakPolarHBondContact O-CB 3.28Å; I284-S288 PolarHBondContact O-N 2.92Å; I284-S288 VanDerWaalsContact O-N 3.17Å; I284-S288 PolarHBondContact O-OG 3.16Å; L285-S288 CarbonylContact O-C 3.57Å; L285-S288 WeakPolarHBondContact O-CA 3.41Å; L285-S288 WeakPolarHBondContact O-CB 3.36Å; L285-S288 PolarHBondContact O-N 3.01Å; R286-S288 PolarHBondContact O-N 3.4Å; S288-V290 PolarHBondContact O-N 3.41Å; S288-T291 PolarHBondContact O-N 3.28Å; S288-T291 PolarHBondContact O-OG1 2.7Å; S288-T292 WeakPolarHBondContact O-CB 3.45Å; S288-T292 PolarHBondContact O-N 3.16Å; S288-T292 PolarHBondContact O-OG1 3.48Å; S288-T292 VanDerWaalsContact O-OG1 3.09Å
289E82.9Confident84.8Confident47 Ų4742.4 Ų42.422%0.2224%0.237CC..THydrogen-bonded Turntrans-59.6-49.2-171.1-70.2-177.9140.200113.6R255 Q258 L285 R286R255-E289 IonicContact CZ-OE1 3.43Å; R255-E289 IonicContact CZ-OE2 3.85Å; R255-E289 IonicContact NH1-OE1 3Å; R255-E289 PolarHBondContact NH1-OE1 3.38Å; R255-E289 IonicContact NH2-OE1 2.59Å; R255-E289 PolarHBondContact NH2-OE1 3.4Å; R255-E289 IonicContact NH2-OE2 3.62Å; R255-E289 PolarHBondContact NH2-OE2 2.96Å; Q258-E289 PolarHBondContact NE2-O 3.13Å; L285-E289 WeakPolarHBondContact O-CG 3.39Å; L285-E289 PolarHBondContact O-N 3.16Å; L285-E289 VanDerWaalsContact O-N 3.13Å; R286-E289 WeakPolarHBondContact O-CG 3.21Å; R286-E289 PolarHBondContact O-N 3.08Å
290V77.4Confident84.6Confident111 Ų11146.7 Ų46.767%0.67326%0.256SS*.THydrogen-bonded Turntrans-84.1-23.8-176.7-175.50000111.4S288S288-V290 PolarHBondContact O-N 3.41Å
291T79.3Confident84.6Confident61 Ų6149.8 Ų49.837%0.37428%0.276SS..THydrogen-bonded Turntrans-96.3-18.5-16966.80000113.3S288 K300S288-T291 PolarHBondContact O-N 3.28Å; S288-T291 PolarHBondContact O-OG1 2.7Å; T291-K300 WeakPolarHBondContact O-CE 3.37Å; T291-K300 PolarHBondContact O-NZ 2.99Å
292T78.6Confident84.5Confident13 Ų1350.6 Ų50.68%0.0828%0.28CS..SBendtrans-110.8131.9-176.4-53.10000110S288 A296 L352S288-T292 WeakPolarHBondContact O-CB 3.45Å; S288-T292 PolarHBondContact O-N 3.16Å; S288-T292 PolarHBondContact O-OG1 3.48Å; S288-T292 VanDerWaalsContact O-OG1 3.09Å; T292-A296 HydrophobicContact CG2-CB 3.68Å; T292-L352 HydrophobicContact CG2-CD1 4.33Å
293S76.1Confident84.4Confident63 Ų6348.2 Ų48.244%0.44127%0.273SS..  trans-67152.4173.865.10000111.4T295 A296S293-T295 PolarHBondContact O-N 3.13Å; S293-A296 PolarHBondContact O-N 3.37Å; S293-A296 WeakPolarHBondContact OG-CB 3.46Å
294A72.3Confident84.3Confident29 Ų2947.8 Ų47.824%0.2427%0.271CS..THydrogen-bonded Turntrans-64.5-26.9-175.100000113.6E254 R261E254-A294 HydrophobicContact CG-CB 3.56Å; E254-A294 WeakPolarHBondContact OE1-CB 3.43Å; R261-A294 PolarHBondContact NH1-O 3.45Å
295T73.6Confident84.2Confident76 Ų7651.2 Ų51.247%0.46629%0.289SS..THydrogen-bonded Turntrans-96.82.8-179.256.10000114.5S293S293-T295 PolarHBondContact O-N 3.13Å
296A80.9Confident84.2Confident26 Ų2655.2 Ų55.222%0.21531%0.307CS..  trans-62.9140.5-179.800000111.9T292 S293 C298 L352T292-A296 HydrophobicContact CG2-CB 3.68Å; S293-A296 PolarHBondContact O-N 3.37Å; S293-A296 WeakPolarHBondContact OG-CB 3.46Å; A296-C298 VanDerWaalsContact C-N 3.32Å; A296-L352 WeakPolarHBondContact O-CD1 3.37Å
297A83.1Confident84.1Confident44 Ų4446.5 Ų46.536%0.36428%0.275SS..SBendtrans-71-29.3177.100000112.9L352 H353A297-L352 PolarHBondContact O-N 2.95Å; A297-H353 HydrophobicContact CB-CB 4.24Å; A297-H353 PolarHBondContact O-N 3.17Å; A297-H353 VanDerWaalsContact O-N 3.11Å
298C85.5Confident84.3Confident59 Ų5947.1 Ų47.140%0.39928%0.276SS..SBendtrans-139.2147.7-176.1-710000110A296 V349 V350 N351A296-C298 VanDerWaalsContact C-N 3.32Å; C298-V349 HydrophobicContact CB-CG1 3.65Å; C298-V350 WeakPolarHBondContact CA-O 3.21Å; C298-N351 PolarHBondContact SG-OD1 3.45Å
299T89.1Confident84.4Confident8 Ų857.3 Ų57.35%0.04931%0.313CS..PPolyproline II helixtrans-71.9167.3170.864.70000111.5L285 V349 V350 L352L285-T299 HydrophobicContact CD2-CG2 4.18Å; T299-V349 WeakPolarHBondContact O-CG1 3.26Å; T299-V350 HydrophobicContact CG2-CB 3.94Å; T299-V350 PolarHBondContact N-O 3.24Å; T299-V350 VanDerWaalsContact N-O 3.09Å; T299-V350 PolarHBondContact OG1-N 3.4Å; T299-L352 HydrophobicContact CG2-CD1 4.05Å; T299-L352 HydrophobicContact CG2-CD2 4.15Å; T299-L352 HydrophobicContact CG2-CG 4.1Å
300K87.5Confident84.6Confident114 Ų11457.3 Ų57.350%0.49632%0.319SS..PPolyproline II helixtrans-63142168-75.8177.7176.1165.20110.6T291 L302T291-K300 WeakPolarHBondContact O-CE 3.37Å; T291-K300 PolarHBondContact O-NZ 2.99Å; K300-L302 PolarHBondContact O-N 2.84Å
301P89.6Confident85.1Confident64 Ų6453.2 Ų53.242%0.41629%0.293SS..PPolyproline II helixtrans-63.1127.6175.2-20.131.3000111.4M347 F348 V349P301-M347 HydrophobicContact CB-CB 4.2Å; P301-M347 HydrophobicContact CB-CE 3.7Å; P301-M347 WeakPolarHBondContact O-CE 3.42Å; P301-F348 WeakPolarHBondContact CA-O 3.41Å; P301-V349 VanDerWaalsContact CA-CG2 3.49Å; P301-V349 HydrophobicContact CB-CG2 3.76Å; P301-V349 HydrophobicContact CG-CG2 3.68Å
302L90.7Very high85.5Confident18 Ų1852.5 Ų52.59%0.09429%0.289CS..EExtended strand (participates in β ladder)trans-113.9142175.2-62.8-178.7000110.4I284 M287 K300 I307 M347 F348I284-L302 HydrophobicContact CB-CD1 4.44Å; I284-L302 HydrophobicContact CG2-CD1 4Å; M287-L302 HydrophobicContact CB-CD1 3.76Å; M287-L302 HydrophobicContact CG-CD1 4.49Å; M287-L302 HydrophobicContact SD-CD1 4.08Å; K300-L302 PolarHBondContact O-N 2.84Å; L302-I307 HydrophobicContact CB-CD1 4.25Å; L302-I307 HydrophobicContact CB-CG1 4.18Å; L302-M347 WeakPolarHBondContact O-CA 3.4Å; L302-F348 PolarHBondContact N-O 3.12Å; L302-F348 PolarHBondContact O-N 3.38Å
303S91.8Very high85.5Confident13 Ų1356.8 Ų56.89%0.09133%0.326CS..EExtended strand (participates in β ladder)trans-79.3148.8175.867.60000111.4N305 E306 I307S303-N305 PolarHBondContact O-N 2.86Å; S303-N305 VanDerWaalsContact O-N 3.15Å; S303-E306 PolarHBondContact N-OE2 3.18Å; S303-E306 PolarHBondContact O-N 3.3Å; S303-E306 VanDerWaalsContact O-N 3.12Å; S303-E306 WeakPolarHBondContact OG-CB 3.4Å; S303-E306 WeakPolarHBondContact OG-CG 3.22Å; S303-E306 PolarHBondContact OG-N 3.29Å; S303-E306 PolarHBondContact OG-OE2 3.48Å; S303-I307 WeakPolarHBondContact O-CG1 3.4Å; S303-I307 PolarHBondContact O-N 3.16Å; S303-I307 VanDerWaalsContact O-N 3.08Å
304A88.6Confident85.7Confident0 Ų058.5 Ų58.50%034%0.338CS..Hα-helixtrans-56.9-30.3174.600000113.3F308 L326 G346 F348A304-F308 WeakPolarHBondContact O-CB 3.38Å; A304-F308 PolarHBondContact O-N 3.3Å; A304-L326 HydrophobicContact CB-CD1 3.99Å; A304-G346 PolarHBondContact N-O 3.04Å; A304-G346 VanDerWaalsContact N-O 3.15Å; A304-F348 HydrophobicContact CB-CD2 4.47Å; A304-F348 HydrophobicContact CB-CE2 4.01Å
305N88.8Confident85.9Confident72 Ų7261 Ų6139%0.38534%0.342SS..Hα-helixtrans-71.1-37.5178-67.1-31.5000112.7S303 R309 R319 G344S303-N305 PolarHBondContact O-N 2.86Å; S303-N305 VanDerWaalsContact O-N 3.15Å; N305-R309 WeakPolarHBondContact O-CG 3.32Å; N305-R309 PolarHBondContact O-N 2.92Å; N305-R319 PolarHBondContact OD1-NE 2.92Å; N305-G344 PolarHBondContact ND2-O 3.39Å; N305-G344 VanDerWaalsContact ND2-O 3.12Å
306E89.5Confident86.1Confident86 Ų8664.5 Ų64.540%0.40236%0.358SS..Hα-helixtrans-67.2-44.9174-73.6160.8162.300110.7M287 S303 F308 R309 S310M287-E306 HydrophobicContact CE-CB 4.19Å; S303-E306 PolarHBondContact N-OE2 3.18Å; S303-E306 PolarHBondContact O-N 3.3Å; S303-E306 VanDerWaalsContact O-N 3.12Å; S303-E306 WeakPolarHBondContact OG-CB 3.4Å; S303-E306 WeakPolarHBondContact OG-CG 3.22Å; S303-E306 PolarHBondContact OG-N 3.29Å; S303-E306 PolarHBondContact OG-OE2 3.48Å; E306-F308 VanDerWaalsContact C-N 3.32Å; E306-F308 PolarHBondContact O-N 3.19Å; E306-R309 PolarHBondContact O-N 3.41Å; E306-S310 PolarHBondContact O-N 3.39Å; E306-S310 VanDerWaalsContact O-N 3.08Å; E306-S310 PolarHBondContact O-OG 3.47Å
307I89.2Confident86.2Confident0 Ų064.5 Ų64.50%035%0.354CS..Hα-helixtrans-57.1-48.9176.3-63.2165.2000109.6I280 I284 L302 S303 R309 S310 L311 L322 F348I280-I307 HydrophobicContact CG2-CG2 4.3Å; I284-I307 HydrophobicContact CD1-CD1 3.87Å; I284-I307 HydrophobicContact CG1-CD1 3.68Å; I284-I307 HydrophobicContact CG1-CG1 3.9Å; I284-I307 HydrophobicContact CG1-CG2 4.37Å; L302-I307 HydrophobicContact CB-CD1 4.25Å; L302-I307 HydrophobicContact CB-CG1 4.18Å; S303-I307 WeakPolarHBondContact O-CG1 3.4Å; S303-I307 PolarHBondContact O-N 3.16Å; S303-I307 VanDerWaalsContact O-N 3.08Å; I307-R309 VanDerWaalsContact C-N 3.3Å; I307-R309 PolarHBondContact O-N 3.39Å; I307-S310 WeakPolarHBondContact CA-OG 3.38Å; I307-S310 PolarHBondContact O-N 2.9Å; I307-S310 VanDerWaalsContact O-N 3.09Å; I307-S310 PolarHBondContact O-OG 3.16Å; I307-L311 WeakPolarHBondContact O-CG 3.07Å; I307-L311 PolarHBondContact O-N 3.37Å; I307-L311 VanDerWaalsContact O-N 3.08Å; I307-L322 HydrophobicContact CG2-CD2 4.48Å; I307-F348 HydrophobicContact CD1-CB 4.43Å; I307-F348 HydrophobicContact CD1-CD2 4.48Å
308F89.3Confident86.4Confident83 Ų8364.9 Ų64.936%0.36435%0.353SS..Hα-helixtrans-56.4-40.2178.7-175.1-98.3000113.4A304 E306 I317 R319 L322A304-F308 WeakPolarHBondContact O-CB 3.38Å; A304-F308 PolarHBondContact O-N 3.3Å; E306-F308 VanDerWaalsContact C-N 3.32Å; E306-F308 PolarHBondContact O-N 3.19Å; F308-I317 WeakPolarHBondContact CE2-O 3.3Å; F308-R319 HydrophobicContact CD2-CB 4.45Å; F308-R319 HydrophobicContact CE2-CB 4.15Å; F308-L322 HydrophobicContact CB-CD2 3.74Å; F308-L322 HydrophobicContact CD2-CD2 3.81Å; F308-L322 HydrophobicContact CG-CD2 4.29Å
309R88Confident86.4Confident216 Ų21665 Ų6582%0.81535%0.345SS*.Hα-helixtrans-71.5-30.6178.5-71.7175.5-178-177.41.3113.2N305 E306 I307N305-R309 WeakPolarHBondContact O-CG 3.32Å; N305-R309 PolarHBondContact O-N 2.92Å; E306-R309 PolarHBondContact O-N 3.41Å; I307-R309 VanDerWaalsContact C-N 3.3Å; I307-R309 PolarHBondContact O-N 3.39Å
310S88.4Confident86.4Confident47 Ų4770 Ų7033%0.32937%0.367SS..Hα-helixtrans-87.7-10.3-177.663.80000114.4T283 M287 E306 I307T283-S310 WeakPolarHBondContact CG2-OG 3.21Å; M287-S310 VanDerWaalsContact SD-CB 3.52Å; M287-S310 PolarHBondContact SD-OG 3.09Å; E306-S310 PolarHBondContact O-N 3.39Å; E306-S310 VanDerWaalsContact O-N 3.08Å; E306-S310 PolarHBondContact O-OG 3.47Å; I307-S310 WeakPolarHBondContact CA-OG 3.38Å; I307-S310 PolarHBondContact O-N 2.9Å; I307-S310 VanDerWaalsContact O-N 3.09Å; I307-S310 PolarHBondContact O-OG 3.16Å
311L87.3Confident86.5Confident26 Ų2667.2 Ų67.214%0.13636%0.357CS..SBendtrans-64139.4177.6-83.9166.7000110.9I280 T283 I307 A313 L322I280-L311 HydrophobicContact CG1-CD2 4.36Å; T283-L311 HydrophobicContact CG2-CD2 4.38Å; T283-L311 HydrophobicContact CG2-CG 4.43Å; I307-L311 WeakPolarHBondContact O-CG 3.07Å; I307-L311 PolarHBondContact O-N 3.37Å; I307-L311 VanDerWaalsContact O-N 3.08Å; L311-A313 PolarHBondContact O-N 3.47Å; L311-L322 HydrophobicContact CD1-CD1 4.09Å; L311-L322 HydrophobicContact CD1-CD2 4.09Å
312P87Confident86.5Confident46 Ų4664.2 Ų64.230%0.29934%0.337SS..  trans-58.7136.4173.7-23.333.4000111.7S314 Y315P312-S314 WeakPolarHBondContact CB-OG 3.49Å; P312-S314 PolarHBondContact O-N 3.29Å; P312-Y315 PolarHBondContact O-N 3.45Å
313A78.8Confident86.5Confident102 Ų10265.9 Ų65.984%0.84335%0.346SS*.G310 helixtrans-60-15.2179.200000113.7L311 Y315L311-A313 PolarHBondContact O-N 3.47Å; A313-Y315 VanDerWaalsContact C-N 3.33Å; A313-Y315 PolarHBondContact O-N 3.1Å
314S80.3Confident86.5Confident99 Ų9971.2 Ų71.269%0.69237%0.37SS*.G310 helixtrans-64.6-29.7179.249.60000114.2P312P312-S314 WeakPolarHBondContact CB-OG 3.49Å; P312-S314 PolarHBondContact O-N 3.29Å
315Y76.4Confident86.6Confident82 Ų8274.3 Ų74.332%0.32238%0.382SS..G310 helixtrans-91-11.3-174.5-77.3-91.3000114.1T276 E279 P312 A313 I317T276-Y315 HydrophobicContact CG2-CD1 4.38Å; E279-Y315 HydrophobicContact CB-CE2 4.28Å; E279-Y315 HydrophobicContact CG-CD2 3.92Å; E279-Y315 HydrophobicContact CG-CE2 3.64Å; P312-Y315 PolarHBondContact O-N 3.45Å; A313-Y315 VanDerWaalsContact C-N 3.33Å; A313-Y315 PolarHBondContact O-N 3.1Å; Y315-I317 VanDerWaalsContact O-CG1 3.27Å; Y315-I317 WeakPolarHBondContact O-CG1 3.48Å; Y315-I317 PolarHBondContact O-N 3.03Å
316N78.3Confident86.7Confident150 Ų15070.9 Ų70.980%0.80236%0.364SS*.  trans33.445.6176.7-158.316.6000115.2
317I83.6Confident86.7Confident25 Ų2570.4 Ų70.413%0.12837%0.367CS..  trans-81.4126.1-175.9-53.5174000108T276 F308 Y315 I321 L322T276-I317 HydrophobicContact CG2-CD1 3.37Å; T276-I317 HydrophobicContact CG2-CG1 4.36Å; F308-I317 WeakPolarHBondContact CE2-O 3.3Å; Y315-I317 VanDerWaalsContact O-CG1 3.27Å; Y315-I317 WeakPolarHBondContact O-CG1 3.48Å; Y315-I317 PolarHBondContact O-N 3.03Å; I317-I321 HydrophobicContact CG2-CB 3.89Å; I317-I321 HydrophobicContact CG2-CG2 3.77Å; I317-L322 HydrophobicContact CG2-CB 4.37Å
318P87.4Confident86.9Confident53 Ų5374.4 Ų74.434%0.34439%0.388SS..  trans-74151.5173.831.7-35.7000111.4H320 I321 L322P318-H320 VanDerWaalsContact C-N 3.27Å; P318-H320 WeakPolarHBondContact CG-CE1 3.12Å; P318-H320 PolarHBondContact O-N 3.27Å; P318-H320 VanDerWaalsContact O-N 3.09Å; P318-I321 HydrophobicContact CG-CB 4.05Å; P318-I321 HydrophobicContact CG-CD1 3.49Å; P318-I321 VanDerWaalsContact CG-CD1 3.49Å; P318-I321 HydrophobicContact CG-CG1 3.72Å; P318-I321 PolarHBondContact O-N 3.03Å; P318-L322 PolarHBondContact O-N 3.21Å
319R85.9Confident86.9Confident62 Ų6270.5 Ų70.523%0.23437%0.371CS..Hα-helixtrans-51.1-39.9-173-178.972.1-170.381.510.5114.5N305 F308 L322 D323N305-R319 PolarHBondContact OD1-NE 2.92Å; F308-R319 HydrophobicContact CD2-CB 4.45Å; F308-R319 HydrophobicContact CE2-CB 4.15Å; R319-L322 WeakPolarHBondContact O-CB 3.49Å; R319-L322 PolarHBondContact O-N 3.43Å; R319-D323 IonicContact CZ-OD1 2.67Å; R319-D323 IonicContact CZ-OD2 3.16Å; R319-D323 VanDerWaalsContact CZ-OD2 3.27Å; R319-D323 IonicContact NH1-OD1 2.67Å; R319-D323 PolarHBondContact NH1-OD1 3.09Å; R319-D323 IonicContact NH1-OD2 2.64Å; R319-D323 PolarHBondContact NH1-OD2 3.35Å; R319-D323 IonicContact NH2-OD1 2.59Å; R319-D323 PolarHBondContact NH2-OD1 2.86Å; R319-D323 IonicContact NH2-OD2 2.84Å; R319-D323 PolarHBondContact NH2-OD2 3.24Å; R319-D323 PolarHBondContact O-N 3.24Å; R319-D323 VanDerWaalsContact O-N 3.15Å
320H88.8Confident87Confident112 Ų11262.2 Ų62.252%0.51934%0.344SS..Hα-helixtrans-68.7-33.3-178.666.5-85000112.8P318 Q324P318-H320 VanDerWaalsContact C-N 3.27Å; P318-H320 WeakPolarHBondContact CG-CE1 3.12Å; P318-H320 PolarHBondContact O-N 3.27Å; P318-H320 VanDerWaalsContact O-N 3.09Å; H320-Q324 WeakPolarHBondContact O-CG 3.42Å; H320-Q324 PolarHBondContact O-N 3.08Å
321I89.6Confident87Confident56 Ų5666 Ų6629%0.28736%0.361SS..Hα-helixtrans-73.3-36.8175.5-65.6-178.2000109.8I317 P318 D323 Q324 Y325I317-I321 HydrophobicContact CG2-CB 3.89Å; I317-I321 HydrophobicContact CG2-CG2 3.77Å; P318-I321 HydrophobicContact CG-CB 4.05Å; P318-I321 HydrophobicContact CG-CD1 3.49Å; P318-I321 VanDerWaalsContact CG-CD1 3.49Å; P318-I321 HydrophobicContact CG-CG1 3.72Å; P318-I321 PolarHBondContact O-N 3.03Å; I321-D323 VanDerWaalsContact C-N 3.33Å; I321-D323 PolarHBondContact O-N 2.83Å; I321-Q324 WeakPolarHBondContact O-CB 3.41Å; I321-Q324 PolarHBondContact O-N 3.43Å; I321-Y325 HydrophobicContact CG2-CD2 3.66Å; I321-Y325 HydrophobicContact CG2-CE2 3.44Å; I321-Y325 VanDerWaalsContact CG2-CE2 3.44Å; I321-Y325 VanDerWaalsContact O-CD2 3.29Å; I321-Y325 WeakPolarHBondContact O-CD2 3.43Å; I321-Y325 PolarHBondContact O-N 2.91Å
322L89.5Confident87.1Confident0 Ų065.7 Ų65.70%036%0.359CS..Hα-helixtrans-59.6-43173.5179.163000111.8I280 I307 F308 L311 I317 P318 R319 Q324 Y325 L326I280-L322 HydrophobicContact CD1-CD1 3.65Å; I280-L322 HydrophobicContact CG1-CD1 3.89Å; I280-L322 HydrophobicContact CG2-CD1 4.14Å; I307-L322 HydrophobicContact CG2-CD2 4.48Å; F308-L322 HydrophobicContact CB-CD2 3.74Å; F308-L322 HydrophobicContact CD2-CD2 3.81Å; F308-L322 HydrophobicContact CG-CD2 4.29Å; L311-L322 HydrophobicContact CD1-CD1 4.09Å; L311-L322 HydrophobicContact CD1-CD2 4.09Å; I317-L322 HydrophobicContact CG2-CB 4.37Å; P318-L322 PolarHBondContact O-N 3.21Å; R319-L322 WeakPolarHBondContact O-CB 3.49Å; R319-L322 PolarHBondContact O-N 3.43Å; L322-Q324 VanDerWaalsContact C-N 3.29Å; L322-Q324 PolarHBondContact O-N 3.48Å; L322-Y325 PolarHBondContact O-N 2.86Å; L322-L326 HydrophobicContact CD1-CD1 4.16Å; L322-L326 HydrophobicContact CD1-CG 4.17Å; L322-L326 HydrophobicContact CG-CD1 3.92Å; L322-L326 HydrophobicContact CG-CG 4.38Å; L322-L326 WeakPolarHBondContact O-CB 3.45Å; L322-L326 WeakPolarHBondContact O-CG 3.39Å; L322-L326 PolarHBondContact O-N 3Å
323D90.2Very high86.9Confident53 Ų5368.7 Ų68.728%0.28338%0.379SS..Hα-helixtrans-61.5-37.7175.6-76.6-37.1000112.5R319 I321 L326 T327R319-D323 IonicContact CZ-OD1 2.67Å; R319-D323 IonicContact CZ-OD2 3.16Å; R319-D323 VanDerWaalsContact CZ-OD2 3.27Å; R319-D323 IonicContact NH1-OD1 2.67Å; R319-D323 PolarHBondContact NH1-OD1 3.09Å; R319-D323 IonicContact NH1-OD2 2.64Å; R319-D323 PolarHBondContact NH1-OD2 3.35Å; R319-D323 IonicContact NH2-OD1 2.59Å; R319-D323 PolarHBondContact NH2-OD1 2.86Å; R319-D323 IonicContact NH2-OD2 2.84Å; R319-D323 PolarHBondContact NH2-OD2 3.24Å; R319-D323 PolarHBondContact O-N 3.24Å; R319-D323 VanDerWaalsContact O-N 3.15Å; I321-D323 VanDerWaalsContact C-N 3.33Å; I321-D323 PolarHBondContact O-N 2.83Å; D323-L326 PolarHBondContact O-N 3.29Å; D323-T327 WeakPolarHBondContact O-CB 3.5Å; D323-T327 PolarHBondContact O-N 3.17Å; D323-T327 PolarHBondContact O-OG1 3.1Å
324Q91Very high87Confident125 Ų12567.1 Ų67.158%0.58436%0.355SS*.Hα-helixtrans-64.4-46.2176-69.2171.19.400111.3H320 I321 L322 T327 L328H320-Q324 WeakPolarHBondContact O-CG 3.42Å; H320-Q324 PolarHBondContact O-N 3.08Å; I321-Q324 WeakPolarHBondContact O-CB 3.41Å; I321-Q324 PolarHBondContact O-N 3.43Å; L322-Q324 VanDerWaalsContact C-N 3.29Å; L322-Q324 PolarHBondContact O-N 3.48Å; Q324-T327 PolarHBondContact O-N 3.01Å; Q324-L328 WeakPolarHBondContact O-CB 3.37Å; Q324-L328 PolarHBondContact O-N 2.94Å
325Y91.3Very high87.2Confident65 Ų6566.7 Ų66.726%0.25534%0.342SS..Hα-helixtrans-63.4-42176.1-82.1-69.3000112.7T276 S277 I280 I321 L322 T327 L328 L329T276-Y325 HydrophobicContact CG2-CE2 4.3Å; S277-Y325 WeakPolarHBondContact OG-CD1 3.49Å; I280-Y325 HydrophobicContact CD1-CD2 4.34Å; I280-Y325 HydrophobicContact CD1-CG 4.02Å; I321-Y325 HydrophobicContact CG2-CD2 3.66Å; I321-Y325 HydrophobicContact CG2-CE2 3.44Å; I321-Y325 VanDerWaalsContact CG2-CE2 3.44Å; I321-Y325 VanDerWaalsContact O-CD2 3.29Å; I321-Y325 WeakPolarHBondContact O-CD2 3.43Å; I321-Y325 PolarHBondContact O-N 2.91Å; L322-Y325 PolarHBondContact O-N 2.86Å; Y325-T327 VanDerWaalsContact C-N 3.32Å; Y325-T327 PolarHBondContact O-N 2.97Å; Y325-L328 PolarHBondContact O-N 2.91Å; Y325-L329 WeakPolarHBondContact O-CB 3.4Å; Y325-L329 WeakPolarHBondContact O-CG 3.46Å; Y325-L329 PolarHBondContact O-N 3.21Å
326L90.4Very high87.7Confident0 Ų063.3 Ų63.30%033%0.329CS..Hα-helixtrans-65.4-36.2177.8-73.1172.3000112I280 I284 A304 L322 D323 V330 F348I280-L326 HydrophobicContact CG2-CD2 3.81Å; I284-L326 HydrophobicContact CD1-CD2 4.47Å; A304-L326 HydrophobicContact CB-CD1 3.99Å; L322-L326 HydrophobicContact CD1-CD1 4.16Å; L322-L326 HydrophobicContact CD1-CG 4.17Å; L322-L326 HydrophobicContact CG-CD1 3.92Å; L322-L326 HydrophobicContact CG-CG 4.38Å; L322-L326 WeakPolarHBondContact O-CB 3.45Å; L322-L326 WeakPolarHBondContact O-CG 3.39Å; L322-L326 PolarHBondContact O-N 3Å; D323-L326 PolarHBondContact O-N 3.29Å; L326-V330 VanDerWaalsContact O-CG2 3.29Å; L326-V330 WeakPolarHBondContact O-CG2 3.26Å; L326-V330 PolarHBondContact O-N 3.01Å; L326-F348 HydrophobicContact CB-CD1 4.29Å; L326-F348 HydrophobicContact CB-CE1 3.68Å; L326-F348 HydrophobicContact CB-CE2 4.32Å; L326-F348 HydrophobicContact CB-CZ 3.69Å; L326-F348 HydrophobicContact CD1-CD2 4.05Å; L326-F348 HydrophobicContact CD1-CE2 3.73Å; L326-F348 HydrophobicContact CD1-CZ 3.97Å; L326-F348 HydrophobicContact CD2-CD1 4.22Å; L326-F348 HydrophobicContact CD2-CD2 4.48Å; L326-F348 HydrophobicContact CD2-CE1 4.44Å; L326-F348 HydrophobicContact CD2-CG 4.24Å; L326-F348 HydrophobicContact CG-CE1 4.43Å; L326-F348 HydrophobicContact CG-CE2 4.49Å; L326-F348 HydrophobicContact CG-CZ 4.33Å
327T90.9Very high88.2Confident77 Ų7756.3 Ų56.347%0.47229%0.291SS..Hα-helixtrans-66.8-46.1173.9-53.90000110.7D323 Q324 Y325 L329 V330 D331D323-T327 WeakPolarHBondContact O-CB 3.5Å; D323-T327 PolarHBondContact O-N 3.17Å; D323-T327 PolarHBondContact O-OG1 3.1Å; Q324-T327 PolarHBondContact O-N 3.01Å; Y325-T327 VanDerWaalsContact C-N 3.32Å; Y325-T327 PolarHBondContact O-N 2.97Å; T327-L329 VanDerWaalsContact C-N 3.29Å; T327-L329 PolarHBondContact O-N 3Å; T327-V330 PolarHBondContact O-N 2.92Å; T327-V330 VanDerWaalsContact O-N 3.09Å; T327-D331 PolarHBondContact O-N 3.14Å
328L92.2Very high88.5Confident84 Ų8455.9 Ų55.944%0.4429%0.293SS..Hα-helixtrans-58.4-40.6176-172.7156.2000112.2L273 Q324 Y325 V330 D331 D332L273-L328 HydrophobicContact CD1-CD2 3.9Å; L273-L328 HydrophobicContact CD2-CD2 3.69Å; L273-L328 HydrophobicContact CG-CD2 4.38Å; Q324-L328 WeakPolarHBondContact O-CB 3.37Å; Q324-L328 PolarHBondContact O-N 2.94Å; Y325-L328 PolarHBondContact O-N 2.91Å; L328-V330 VanDerWaalsContact C-N 3.32Å; L328-V330 PolarHBondContact O-N 2.95Å; L328-D331 PolarHBondContact O-N 3.02Å; L328-D332 PolarHBondContact O-N 2.98Å
329L89.4Confident88.6Confident1 Ų158.6 Ų58.61%0.00530%0.3CS..Hα-helixtrans-65.7-31.9176.8-81.6165.8000113.3V269 L273 I280 V281 Y325 T327 V337V269-L329 HydrophobicContact CG1-CD2 4.26Å; L273-L329 HydrophobicContact CD1-CD2 3.42Å; L273-L329 VanDerWaalsContact CD1-CD2 3.42Å; L273-L329 HydrophobicContact CD1-CG 4.23Å; I280-L329 HydrophobicContact CG2-CD1 4.42Å; V281-L329 HydrophobicContact CG2-CD1 4.24Å; V281-L329 HydrophobicContact CG2-CD2 4.23Å; Y325-L329 WeakPolarHBondContact O-CB 3.4Å; Y325-L329 WeakPolarHBondContact O-CG 3.46Å; Y325-L329 PolarHBondContact O-N 3.21Å; T327-L329 VanDerWaalsContact C-N 3.29Å; T327-L329 PolarHBondContact O-N 3Å; L329-V337 HydrophobicContact CB-CB 4.19Å; L329-V337 HydrophobicContact CB-CG2 4.15Å; L329-V337 HydrophobicContact CD2-CG2 4.37Å
330V90.6Very high88.7Confident41 Ų4160 Ų6025%0.24832%0.315CS..Hα-helixtrans-78.5-34.7177.7170.30000111.6L326 T327 L328 D332 V337 K339 F348L326-V330 VanDerWaalsContact O-CG2 3.29Å; L326-V330 WeakPolarHBondContact O-CG2 3.26Å; L326-V330 PolarHBondContact O-N 3.01Å; T327-V330 PolarHBondContact O-N 2.92Å; T327-V330 VanDerWaalsContact O-N 3.09Å; L328-V330 VanDerWaalsContact C-N 3.32Å; L328-V330 PolarHBondContact O-N 2.95Å; V330-D332 PolarHBondContact O-N 3.26Å; V330-V337 HydrophobicContact CG2-CG1 4.17Å; V330-K339 HydrophobicContact CG1-CB 4.23Å; V330-K339 HydrophobicContact CG2-CB 4.22Å; V330-F348 HydrophobicContact CG2-CD1 3.94Å; V330-F348 HydrophobicContact CG2-CE1 3.87Å
331D89.1Confident88.7Confident127 Ų12755.8 Ų55.868%0.67930%0.302SS*.SBendtrans-75.1-8.2179.3-68.4-22.2000113.3T327 L328T327-D331 PolarHBondContact O-N 3.14Å; L328-D331 PolarHBondContact O-N 3.02Å
332D88.6Confident88.5Confident19 Ų1960.8 Ų60.810%0.10233%0.325CS..  trans-69.5130.4-177.1-175.758.3000112.9K272 L328 V330 M334 E335K272-D332 WeakPolarHBondContact CE-OD1 3.31Å; K272-D332 IonicContact NZ-OD1 3.53Å; K272-D332 PolarHBondContact NZ-OD1 3.1Å; K272-D332 IonicContact NZ-OD2 2.65Å; K272-D332 PolarHBondContact NZ-OD2 3.35Å; L328-D332 PolarHBondContact O-N 2.98Å; V330-D332 PolarHBondContact O-N 3.26Å; D332-M334 PolarHBondContact O-N 3.02Å; D332-M334 VanDerWaalsContact OD2-CB 3.32Å; D332-M334 WeakPolarHBondContact OD2-CB 3.23Å; D332-M334 PolarHBondContact OD2-N 2.66Å; D332-E335 PolarHBondContact O-N 2.87Å
333P83Confident88.1Confident110 Ų11065 Ų6571%0.71435%0.354SS*.THydrogen-bonded Turntrans-65.5-10.3-17724.1-37.5000115.8E335P333-E335 VanDerWaalsContact C-N 3.32Å
334M80.3Confident87.4Confident69 Ų6964.5 Ų64.534%0.3436%0.361SS..THydrogen-bonded Turntrans-85.5-11.2172.5-66-75.8160.500111.9K272 D332 F336 N358K272-M334 HydrophobicContact CD-CG 4.42Å; D332-M334 PolarHBondContact O-N 3.02Å; D332-M334 VanDerWaalsContact OD2-CB 3.32Å; D332-M334 WeakPolarHBondContact OD2-CB 3.23Å; D332-M334 PolarHBondContact OD2-N 2.66Å; M334-F336 VanDerWaalsContact C-N 3.26Å; M334-F336 HydrophobicContact CB-CD2 3.72Å; M334-F336 HydrophobicContact CB-CE2 3.42Å; M334-F336 VanDerWaalsContact CB-CE2 3.42Å; M334-F336 HydrophobicContact CB-CG 4.47Å; M334-F336 HydrophobicContact CB-CZ 3.94Å; M334-F336 HydrophobicContact CG-CE2 4.03Å; M334-F336 HydrophobicContact CG-CZ 4.43Å; M334-F336 PolarHBondContact O-N 2.96Å; M334-N358 WeakPolarHBondContact CB-ND2 3.37Å; M334-N358 PolarHBondContact O-ND2 3.01Å; M334-N358 HydrophobicContact SD-CB 4.04Å; M334-N358 VanDerWaalsContact SD-CG 3.59Å
335E84.4Confident86.8Confident89 Ų8960.9 Ų60.942%0.41636%0.357SS..  trans51.643.2174.6-57.3169.5127.800112.7D332 P333 V337 N351 R354D332-E335 PolarHBondContact O-N 2.87Å; P333-E335 VanDerWaalsContact C-N 3.32Å; E335-V337 VanDerWaalsContact C-N 3.28Å; E335-V337 PolarHBondContact O-N 2.68Å; E335-N351 PolarHBondContact O-ND2 3.44Å; E335-R354 IonicContact OE1-NH1 3.87Å; E335-R354 PolarHBondContact OE1-NH1 3.12Å; E335-R354 IonicContact OE2-CZ 3.4Å; E335-R354 IonicContact OE2-NE 2.85Å; E335-R354 IonicContact OE2-NH1 2.93Å; E335-R354 PolarHBondContact OE2-NH1 2.7Å
336F86.8Confident86.6Confident12 Ų1257.9 Ų57.95%0.05335%0.346CS..SBendtrans-60.6-41175.8-70.9-68.1000111.2A268 V269 K272 M334 V350 N351 A355A268-F336 HydrophobicContact CB-CZ 4.36Å; V269-F336 HydrophobicContact CG2-CD2 4.26Å; V269-F336 HydrophobicContact CG2-CG 4.26Å; K272-F336 HydrophobicContact CD-CE2 4.26Å; M334-F336 VanDerWaalsContact C-N 3.26Å; M334-F336 HydrophobicContact CB-CD2 3.72Å; M334-F336 HydrophobicContact CB-CE2 3.42Å; M334-F336 VanDerWaalsContact CB-CE2 3.42Å; M334-F336 HydrophobicContact CB-CG 4.47Å; M334-F336 HydrophobicContact CB-CZ 3.94Å; M334-F336 HydrophobicContact CG-CE2 4.03Å; M334-F336 HydrophobicContact CG-CZ 4.43Å; M334-F336 PolarHBondContact O-N 2.96Å; F336-V350 WeakPolarHBondContact O-CA 3.29Å; F336-N351 PolarHBondContact O-N 2.73Å; F336-A355 HydrophobicContact CD1-CB 3.71Å; F336-A355 HydrophobicContact CE1-CB 3.98Å
337V89.9Confident86.6Confident2 Ų259.8 Ų59.81%0.01236%0.356CS..EExtended strand (participates in β ladder)trans-114.6135.6176.8-176.20000108.9V281 L329 V330 E335 F348 V349 V350V281-V337 HydrophobicContact CG2-CG2 4.16Å; L329-V337 HydrophobicContact CB-CB 4.19Å; L329-V337 HydrophobicContact CB-CG2 4.15Å; L329-V337 HydrophobicContact CD2-CG2 4.37Å; V330-V337 HydrophobicContact CG2-CG1 4.17Å; E335-V337 VanDerWaalsContact C-N 3.28Å; E335-V337 PolarHBondContact O-N 2.68Å; V337-F348 HydrophobicContact CG1-CB 4.2Å; V337-F348 HydrophobicContact CG1-CD1 4.09Å; V337-V349 CarbonylContact C-O 3.59Å; V337-V349 WeakPolarHBondContact CA-O 3.32Å; V337-V350 HydrophobicContact CG2-CG2 4.41Å
338G89.3Confident86.6Confident17 Ų1756.6 Ų56.618%0.17534%0.335CS..EExtended strand (participates in β ladder)trans-118.5146173.200000111.5F348 V349G338-F348 WeakPolarHBondContact O-CA 3.4Å; G338-V349 PolarHBondContact N-O 3.46Å; G338-V349 PolarHBondContact O-N 3.03Å
339K90.5Very high86.6Confident110 Ų11052.8 Ų52.848%0.47832%0.316SS..EExtended strand (participates in β ladder)trans-93.5120.7170.4-169.5-179-179.2-171.10109.1V330 M347V330-K339 HydrophobicContact CG1-CB 4.23Å; V330-K339 HydrophobicContact CG2-CB 4.22Å; K339-M347 WeakPolarHBondContact CA-O 3.34Å
340T87.6Confident86.7Confident91 Ų9152.8 Ų52.856%0.55832%0.315SS*.EExtended strand (participates in β ladder)trans-104.3-20.3-177.551.50000113.4M347 V349T340-M347 PolarHBondContact N-O 2.82Å; T340-M347 PolarHBondContact OG1-O 3.18Å; T340-V349 HydrophobicContact CG2-CB 4.12Å; T340-V349 HydrophobicContact CG2-CG2 3.65Å
341G87.4Confident86.7Confident24 Ų2451.9 Ų51.925%0.24731%0.309CS..EExtended strand (participates in β ladder)trans-162.7170.818000000113.3M347G341-M347 PolarHBondContact O-N 3.09Å
342E85.6Confident86.8Confident161 Ų16145.9 Ų45.975%0.75228%0.277SS*.  trans-106-9.2-177.3-71.9169.2167.500113.3G346E342-G346 PolarHBondContact O-N 3.08Å
343S82.4Confident86.9Confident89 Ų8947.2 Ų47.262%0.62228%0.283SS*.G310 helixtrans-58142.3176.6-51.30000111.6G345 G346S343-G345 VanDerWaalsContact C-N 3.3Å; S343-G345 PolarHBondContact O-N 2.76Å; S343-G346 PolarHBondContact O-N 2.96Å
344G74.8Confident87.2Confident42 Ų4247.5 Ų47.543%0.43327%0.27SS..G310 helixtrans67.921.9173.200000115.8N305N305-G344 PolarHBondContact ND2-O 3.39Å; N305-G344 VanDerWaalsContact ND2-O 3.12Å
345G78.3Confident87.7Confident48 Ų4844.2 Ų44.250%0.49525%0.253SS..G310 helixtrans86.717.3-176.200000113.8S343S343-G345 VanDerWaalsContact C-N 3.3Å; S343-G345 PolarHBondContact O-N 2.76Å
346G87.1Confident88.1Confident3 Ų340.5 Ų40.53%0.03124%0.236CC..  trans109.2129-178.300000111.8A304 E342 S343 F348A304-G346 PolarHBondContact N-O 3.04Å; A304-G346 VanDerWaalsContact N-O 3.15Å; E342-G346 PolarHBondContact O-N 3.08Å; S343-G346 PolarHBondContact O-N 2.96Å; G346-F348 WeakPolarHBondContact O-CD2 3.47Å; G346-F348 WeakPolarHBondContact O-CE2 3.26Å
347M89.9Confident88.3Confident40 Ų4040.4 Ų40.420%0.19724%0.238CC..EExtended strand (participates in β ladder)trans-101.1119174.9-60.5-60.4-66.400109.4P301 L302 K339 T340 G341P301-M347 HydrophobicContact CB-CB 4.2Å; P301-M347 HydrophobicContact CB-CE 3.7Å; P301-M347 WeakPolarHBondContact O-CE 3.42Å; L302-M347 WeakPolarHBondContact O-CA 3.4Å; K339-M347 WeakPolarHBondContact CA-O 3.34Å; T340-M347 PolarHBondContact N-O 2.82Å; T340-M347 PolarHBondContact OG1-O 3.18Å; G341-M347 PolarHBondContact O-N 3.09Å
348F91.5Very high88.4Confident9 Ų941.4 Ų41.44%0.03924%0.243CC..EExtended strand (participates in β ladder)trans-111.8141.5-175.1-61.5-88.3000110.6P301 L302 A304 I307 L326 V330 V337 G338 G346P301-F348 WeakPolarHBondContact CA-O 3.41Å; L302-F348 PolarHBondContact N-O 3.12Å; L302-F348 PolarHBondContact O-N 3.38Å; A304-F348 HydrophobicContact CB-CD2 4.47Å; A304-F348 HydrophobicContact CB-CE2 4.01Å; I307-F348 HydrophobicContact CD1-CB 4.43Å; I307-F348 HydrophobicContact CD1-CD2 4.48Å; L326-F348 HydrophobicContact CB-CD1 4.29Å; L326-F348 HydrophobicContact CB-CE1 3.68Å; L326-F348 HydrophobicContact CB-CE2 4.32Å; L326-F348 HydrophobicContact CB-CZ 3.69Å; L326-F348 HydrophobicContact CD1-CD2 4.05Å; L326-F348 HydrophobicContact CD1-CE2 3.73Å; L326-F348 HydrophobicContact CD1-CZ 3.97Å; L326-F348 HydrophobicContact CD2-CD1 4.22Å; L326-F348 HydrophobicContact CD2-CD2 4.48Å; L326-F348 HydrophobicContact CD2-CE1 4.44Å; L326-F348 HydrophobicContact CD2-CG 4.24Å; L326-F348 HydrophobicContact CG-CE1 4.43Å; L326-F348 HydrophobicContact CG-CE2 4.49Å; L326-F348 HydrophobicContact CG-CZ 4.33Å; V330-F348 HydrophobicContact CG2-CD1 3.94Å; V330-F348 HydrophobicContact CG2-CE1 3.87Å; V337-F348 HydrophobicContact CG1-CB 4.2Å; V337-F348 HydrophobicContact CG1-CD1 4.09Å; G338-F348 WeakPolarHBondContact O-CA 3.4Å; G346-F348 WeakPolarHBondContact O-CD2 3.47Å; G346-F348 WeakPolarHBondContact O-CE2 3.26Å
349V91.8Very high88.5Confident5 Ų541.8 Ų41.83%0.0324%0.241CC..EExtended strand (participates in β ladder)trans-133140.9-179.3169.20000108.7C298 T299 P301 V337 G338 T340C298-V349 HydrophobicContact CB-CG1 3.65Å; T299-V349 WeakPolarHBondContact O-CG1 3.26Å; P301-V349 VanDerWaalsContact CA-CG2 3.49Å; P301-V349 HydrophobicContact CB-CG2 3.76Å; P301-V349 HydrophobicContact CG-CG2 3.68Å; V337-V349 CarbonylContact C-O 3.59Å; V337-V349 WeakPolarHBondContact CA-O 3.32Å; G338-V349 PolarHBondContact N-O 3.46Å; G338-V349 PolarHBondContact O-N 3.03Å; T340-V349 HydrophobicContact CG2-CB 4.12Å; T340-V349 HydrophobicContact CG2-CG2 3.65Å
350V91.8Very high88.6Confident0 Ų036.6 Ų36.60%022%0.219CC..EExtended strand (participates in β ladder)trans-92.7125.3170.31790000109I284 L285 C298 T299 F336 V337 L352I284-V350 HydrophobicContact CB-CG2 4.3Å; I284-V350 HydrophobicContact CG2-CG2 3.55Å; L285-V350 HydrophobicContact CD2-CB 4.29Å; L285-V350 HydrophobicContact CD2-CG1 4.12Å; L285-V350 HydrophobicContact CD2-CG2 4.43Å; C298-V350 WeakPolarHBondContact CA-O 3.21Å; T299-V350 HydrophobicContact CG2-CB 3.94Å; T299-V350 PolarHBondContact N-O 3.24Å; T299-V350 VanDerWaalsContact N-O 3.09Å; T299-V350 PolarHBondContact OG1-N 3.4Å; F336-V350 WeakPolarHBondContact O-CA 3.29Å; V337-V350 HydrophobicContact CG2-CG2 4.41Å; V350-L352 HydrophobicContact CG1-CD2 4.17Å; V350-L352 PolarHBondContact O-N 2.82Å
351N91.1Very high88.9Confident22 Ų2235.1 Ų35.112%0.11820%0.203CC..  trans-84.889179.3-65.5-41.4000110.3C298 E335 F336 H353 R354 A355C298-N351 PolarHBondContact SG-OD1 3.45Å; E335-N351 PolarHBondContact O-ND2 3.44Å; F336-N351 PolarHBondContact O-N 2.73Å; N351-H353 PolarHBondContact O-N 2.94Å; N351-R354 HydrophobicContact CB-CB 4.01Å; N351-R354 HydrophobicContact CB-CG 4.28Å; N351-R354 PolarHBondContact O-N 3.31Å; N351-A355 WeakPolarHBondContact O-CB 3.22Å; N351-A355 PolarHBondContact O-N 3.4Å
352L90.4Very high89.1Confident2 Ų236.2 Ų36.21%0.0121%0.209CC..Hα-helixtrans-60.9-44.1-176.9-59173.1000112.2I265 L285 T292 A296 A297 T299 V350 A355 L356I265-L352 HydrophobicContact CD1-CD2 3.83Å; L285-L352 HydrophobicContact CD2-CD2 4.02Å; T292-L352 HydrophobicContact CG2-CD1 4.33Å; A296-L352 WeakPolarHBondContact O-CD1 3.37Å; A297-L352 PolarHBondContact O-N 2.95Å; T299-L352 HydrophobicContact CG2-CD1 4.05Å; T299-L352 HydrophobicContact CG2-CD2 4.15Å; T299-L352 HydrophobicContact CG2-CG 4.1Å; V350-L352 HydrophobicContact CG1-CD2 4.17Å; V350-L352 PolarHBondContact O-N 2.82Å; L352-A355 PolarHBondContact O-N 3.09Å; L352-L356 WeakPolarHBondContact O-CB 3.32Å; L352-L356 WeakPolarHBondContact O-CG 3.46Å; L352-L356 PolarHBondContact O-N 3.31Å
353H90.4Very high89.5Confident46 Ų4629.9 Ų29.921%0.21318%0.182CC..Hα-helixtrans-64.4-43.7179.5178-93.5000112.2A297 N351 L356 A357 S543 T544 S547A297-H353 HydrophobicContact CB-CB 4.24Å; A297-H353 PolarHBondContact O-N 3.17Å; A297-H353 VanDerWaalsContact O-N 3.11Å; N351-H353 PolarHBondContact O-N 2.94Å; H353-L356 PolarHBondContact O-N 3.4Å; H353-A357 WeakPolarHBondContact O-CB 3.47Å; H353-A357 PolarHBondContact O-N 3.36Å; H353-S543 PolarHBondContact CD2-OG 3.28Å; H353-S543 VanDerWaalsContact CD2-OG 3.31Å; H353-T544 PolarHBondContact NE2-OG1 3.27Å; H353-T544 VanDerWaalsContact NE2-OG1 3.09Å; H353-S547 PolarHBondContact CD2-OG 2.95Å
354R89.9Confident90Very high117 Ų11725.9 Ų25.944%0.44215%0.153SC..Hα-helixtrans-67-40.5178.3-67.2-170.2178.3178.92.2111.2E335 N351 A357 N358E335-R354 IonicContact OE1-NH1 3.87Å; E335-R354 PolarHBondContact OE1-NH1 3.12Å; E335-R354 IonicContact OE2-CZ 3.4Å; E335-R354 IonicContact OE2-NE 2.85Å; E335-R354 IonicContact OE2-NH1 2.93Å; E335-R354 PolarHBondContact OE2-NH1 2.7Å; N351-R354 HydrophobicContact CB-CB 4.01Å; N351-R354 HydrophobicContact CB-CG 4.28Å; N351-R354 PolarHBondContact O-N 3.31Å; R354-A357 PolarHBondContact O-N 3.43Å; R354-N358 PolarHBondContact O-N 3.27Å; R354-N358 PolarHBondContact O-ND2 3.04Å
355A91.3Very high90.8Very high0 Ų026.2 Ų26.20%014%0.144CC..Hα-helixtrans-59.7-47.6175.400000111.7I265 F336 N351 L352 A357 N358 L359I265-A355 HydrophobicContact CD1-CB 3.89Å; I265-A355 HydrophobicContact CG1-CB 3.87Å; I265-A355 HydrophobicContact CG2-CB 4.45Å; F336-A355 HydrophobicContact CD1-CB 3.71Å; F336-A355 HydrophobicContact CE1-CB 3.98Å; N351-A355 WeakPolarHBondContact O-CB 3.22Å; N351-A355 PolarHBondContact O-N 3.4Å; L352-A355 PolarHBondContact O-N 3.09Å; A355-A357 PolarHBondContact O-N 2.89Å; A355-N358 PolarHBondContact O-N 3.42Å; A355-L359 WeakPolarHBondContact O-CG 3.42Å; A355-L359 PolarHBondContact O-N 3.13Å
356L91.4Very high91.6Very high11 Ų1126.9 Ų26.96%0.05814%0.141CC..Hα-helixtrans-62.4-40.4175.5-74.4172.6000112.6R261 L352 H353 N358 L359 A360R261-L356 HydrophobicContact CG-CD2 4.13Å; R261-L356 HydrophobicContact CG-CG 4.5Å; L352-L356 WeakPolarHBondContact O-CB 3.32Å; L352-L356 WeakPolarHBondContact O-CG 3.46Å; L352-L356 PolarHBondContact O-N 3.31Å; H353-L356 PolarHBondContact O-N 3.4Å; L356-N358 VanDerWaalsContact C-N 3.3Å; L356-N358 PolarHBondContact O-N 3.14Å; L356-L359 HydrophobicContact CD2-CD1 4.45Å; L356-L359 PolarHBondContact O-N 3.48Å; L356-A360 WeakPolarHBondContact O-CB 3.35Å; L356-A360 PolarHBondContact O-N 3.39Å
357A91.6Very high91.9Very high10 Ų1028.3 Ų28.38%0.08315%0.148CC..Hα-helixtrans-63-36.8175.500000112.4H353 R354 A355 R361 Y540H353-A357 WeakPolarHBondContact O-CB 3.47Å; H353-A357 PolarHBondContact O-N 3.36Å; R354-A357 PolarHBondContact O-N 3.43Å; A355-A357 PolarHBondContact O-N 2.89Å; A357-R361 WeakPolarHBondContact O-CB 3.5Å; A357-R361 PolarHBondContact O-N 3.35Å; A357-Y540 HydrophobicContact CB-CD2 4.01Å; A357-Y540 HydrophobicContact CB-CE2 3.54Å
358N91.5Very high92.1Very high22 Ų2226.4 Ų26.412%0.11814%0.138CC..Hα-helixtrans-71.7-41.8176.6-64.8-25000111.7M334 R354 A355 L356 R361 A362M334-N358 WeakPolarHBondContact CB-ND2 3.37Å; M334-N358 PolarHBondContact O-ND2 3.01Å; M334-N358 HydrophobicContact SD-CB 4.04Å; M334-N358 VanDerWaalsContact SD-CG 3.59Å; R354-N358 PolarHBondContact O-N 3.27Å; R354-N358 PolarHBondContact O-ND2 3.04Å; A355-N358 PolarHBondContact O-N 3.42Å; L356-N358 VanDerWaalsContact C-N 3.3Å; L356-N358 PolarHBondContact O-N 3.14Å; N358-R361 WeakPolarHBondContact O-CB 3.44Å; N358-R361 PolarHBondContact O-N 3.39Å; N358-R361 VanDerWaalsContact OD1-CZ 3.27Å; N358-R361 PolarHBondContact OD1-NH1 2.93Å; N358-R361 PolarHBondContact OD1-NH2 3.43Å; N358-A362 PolarHBondContact O-N 3.45Å
359L92.3Very high92.2Very high26 Ų2630 Ų3014%0.13616%0.155CC..Hα-helixtrans-60.5-50.5173.7-71.7170.5000110.9A264 I265 A268 A355 L356 R361 A362 T363 V536A264-L359 HydrophobicContact CB-CD1 3.86Å; I265-L359 HydrophobicContact CG1-CD1 4.31Å; A268-L359 HydrophobicContact CB-CD2 3.84Å; A355-L359 WeakPolarHBondContact O-CG 3.42Å; A355-L359 PolarHBondContact O-N 3.13Å; L356-L359 HydrophobicContact CD2-CD1 4.45Å; L356-L359 PolarHBondContact O-N 3.48Å; L359-R361 VanDerWaalsContact C-N 3.3Å; L359-R361 PolarHBondContact O-N 3.31Å; L359-A362 PolarHBondContact O-N 3.35Å; L359-A362 VanDerWaalsContact O-N 3.13Å; L359-T363 PolarHBondContact O-N 2.9Å; L359-T363 PolarHBondContact O-OG1 3.27Å; L359-V536 HydrophobicContact CB-CG1 3.93Å
360A93.3Very high92.3Very high1 Ų137.7 Ų37.71%0.00819%0.191CC..Hα-helixtrans-59.1-41.3177.200000111.8L356 A362 T363 I364 L537 Y540L356-A360 WeakPolarHBondContact O-CB 3.35Å; L356-A360 PolarHBondContact O-N 3.39Å; A360-A362 PolarHBondContact O-N 3.42Å; A360-T363 PolarHBondContact O-N 3.29Å; A360-I364 WeakPolarHBondContact O-CD1 3.31Å; A360-I364 WeakPolarHBondContact O-CG1 3.5Å; A360-I364 PolarHBondContact O-N 3.11Å; A360-L537 HydrophobicContact CB-CD2 4.38Å; A360-Y540 HydrophobicContact CB-CD1 3.69Å; A360-Y540 HydrophobicContact CB-CD2 4.41Å; A360-Y540 HydrophobicContact CB-CE1 4.38Å; A360-Y540 HydrophobicContact CB-CG 3.69Å
361R92.1Very high92.4Very high59 Ų5944.5 Ų44.522%0.22322%0.216CC..Hα-helixtrans-59.3-46.5174.8-172.2-172.1-50.5114.814.5112.2A357 N358 L359 I364 E365 L384A357-R361 WeakPolarHBondContact O-CB 3.5Å; A357-R361 PolarHBondContact O-N 3.35Å; N358-R361 WeakPolarHBondContact O-CB 3.44Å; N358-R361 PolarHBondContact O-N 3.39Å; N358-R361 VanDerWaalsContact OD1-CZ 3.27Å; N358-R361 PolarHBondContact OD1-NH1 2.93Å; N358-R361 PolarHBondContact OD1-NH2 3.43Å; L359-R361 VanDerWaalsContact C-N 3.3Å; L359-R361 PolarHBondContact O-N 3.31Å; R361-I364 PolarHBondContact O-N 2.95Å; R361-E365 WeakPolarHBondContact O-CB 3.37Å; R361-E365 PolarHBondContact O-N 3Å; R361-L384 HydrophobicContact CG-CD1 3.77Å
362A92.4Very high92.4Very high47 Ų4745.1 Ų45.139%0.38822%0.218SC..Hα-helixtrans-63-42.917800000111.4N358 L359 A360 I364 E365 S366N358-A362 PolarHBondContact O-N 3.45Å; L359-A362 PolarHBondContact O-N 3.35Å; L359-A362 VanDerWaalsContact O-N 3.13Å; A360-A362 PolarHBondContact O-N 3.42Å; A362-I364 PolarHBondContact O-N 3.45Å; A362-E365 WeakPolarHBondContact O-CB 3.17Å; A362-E365 PolarHBondContact O-N 3.21Å; A362-S366 PolarHBondContact O-N 2.96Å; A362-S366 PolarHBondContact O-OG 3.12Å
363T93.3Very high92.6Very high29 Ų2946.5 Ų46.518%0.17823%0.233CC..Hα-helixtrans-61.1-45.4175.9-54.10000112L359 A360 E365 S366 I367 T533L359-T363 PolarHBondContact O-N 2.9Å; L359-T363 PolarHBondContact O-OG1 3.27Å; A360-T363 PolarHBondContact O-N 3.29Å; T363-E365 VanDerWaalsContact C-N 3.32Å; T363-E365 PolarHBondContact O-N 3.48Å; T363-S366 PolarHBondContact O-N 3.36Å; T363-I367 HydrophobicContact CG2-CD1 4.18Å; T363-I367 VanDerWaalsContact O-CG1 3.31Å; T363-I367 WeakPolarHBondContact O-CG1 3.46Å; T363-I367 PolarHBondContact O-N 3.34Å; T363-T533 HydrophobicContact CG2-CG2 3.76Å
364I93Very high92.8Very high4 Ų447.8 Ų47.82%0.02125%0.247CC..Hα-helixtrans-62.6-42.6177.5-64.2166.3000110.4A360 R361 A362 I367 V368 F380 T445 A446 L449 L537A360-I364 WeakPolarHBondContact O-CD1 3.31Å; A360-I364 WeakPolarHBondContact O-CG1 3.5Å; A360-I364 PolarHBondContact O-N 3.11Å; R361-I364 PolarHBondContact O-N 2.95Å; A362-I364 PolarHBondContact O-N 3.45Å; I364-I367 PolarHBondContact O-N 3.4Å; I364-V368 VanDerWaalsContact O-CG2 3.32Å; I364-V368 WeakPolarHBondContact O-CG2 3.31Å; I364-V368 PolarHBondContact O-N 3.2Å; I364-F380 HydrophobicContact CG2-CE1 3.63Å; I364-F380 HydrophobicContact CG2-CZ 3.48Å; I364-F380 VanDerWaalsContact CG2-CZ 3.48Å; I364-T445 HydrophobicContact CD1-CG2 4.42Å; I364-T445 HydrophobicContact CG2-CG2 3.93Å; I364-A446 HydrophobicContact CD1-CB 4.3Å; I364-L449 HydrophobicContact CB-CD1 4.25Å; I364-L449 HydrophobicContact CG1-CD1 3.74Å; I364-L449 HydrophobicContact CG2-CD1 3.92Å; I364-L537 HydrophobicContact CG1-CD2 4.3Å
365E93Very high92.9Very high49 Ų4948 Ų4823%0.22925%0.248CC..Hα-helixtrans-61-44.5176.5-177.1-171.3129.900112.3R361 A362 T363 V368 Q369 R381R361-E365 WeakPolarHBondContact O-CB 3.37Å; R361-E365 PolarHBondContact O-N 3Å; A362-E365 WeakPolarHBondContact O-CB 3.17Å; A362-E365 PolarHBondContact O-N 3.21Å; T363-E365 VanDerWaalsContact C-N 3.32Å; T363-E365 PolarHBondContact O-N 3.48Å; E365-V368 PolarHBondContact O-N 3.43Å; E365-Q369 WeakPolarHBondContact O-CB 3.41Å; E365-Q369 PolarHBondContact O-N 3.02Å; E365-R381 HydrophobicContact CG-CG 4Å; E365-R381 IonicContact OE1-CZ 3.48Å; E365-R381 IonicContact OE1-NE 3.81Å; E365-R381 PolarHBondContact OE1-NE 3.41Å; E365-R381 IonicContact OE1-NH2 3.07Å; E365-R381 PolarHBondContact OE1-NH2 3.28Å; E365-R381 WeakPolarHBondContact OE2-CG 3.47Å; E365-R381 IonicContact OE2-NE 3.04Å
366S93.9Very high93Very high62 Ų6248.3 Ų48.343%0.43425%0.249SC..Hα-helixtrans-60.5-44.7175.9-63.60000111.7A362 T363 V368 Q369 E370A362-S366 PolarHBondContact O-N 2.96Å; A362-S366 PolarHBondContact O-OG 3.12Å; T363-S366 PolarHBondContact O-N 3.36Å; S366-V368 VanDerWaalsContact C-N 3.31Å; S366-V368 PolarHBondContact O-N 2.69Å; S366-Q369 PolarHBondContact O-N 3.06Å; S366-Q369 VanDerWaalsContact O-N 3.15Å; S366-E370 PolarHBondContact O-N 3.11Å
367I93.3Very high93Very high34 Ų3447.8 Ų47.817%0.17425%0.247CC..Hα-helixtrans-59.9-42.5176.1-66.7164.6000110.9T363 I364 Q369 R371 L449 T533T363-I367 HydrophobicContact CG2-CD1 4.18Å; T363-I367 VanDerWaalsContact O-CG1 3.31Å; T363-I367 WeakPolarHBondContact O-CG1 3.46Å; T363-I367 PolarHBondContact O-N 3.34Å; I364-I367 PolarHBondContact O-N 3.4Å; I367-Q369 VanDerWaalsContact C-N 3.35Å; I367-R371 WeakPolarHBondContact O-CB 3.39Å; I367-R371 WeakPolarHBondContact O-CG 3.34Å; I367-R371 PolarHBondContact O-N 2.95Å; I367-R371 VanDerWaalsContact O-N 3.08Å; I367-L449 HydrophobicContact CD1-CD1 4.26Å; I367-L449 HydrophobicContact CG2-CD2 4.21Å; I367-T533 HydrophobicContact CD1-CG2 4.2Å
368V93.8Very high93.1Very high0 Ų052.9 Ų52.90%026%0.264CS..Hα-helixtrans-65.9-39.9177.5173.70000111I364 E365 S366 F372 A377 F380 L412 L417I364-V368 VanDerWaalsContact O-CG2 3.32Å; I364-V368 WeakPolarHBondContact O-CG2 3.31Å; I364-V368 PolarHBondContact O-N 3.2Å; E365-V368 PolarHBondContact O-N 3.43Å; S366-V368 VanDerWaalsContact C-N 3.31Å; S366-V368 PolarHBondContact O-N 2.69Å; V368-F372 HydrophobicContact CG1-CD2 4.13Å; V368-F372 PolarHBondContact O-N 3.09Å; V368-A377 HydrophobicContact CG1-CB 4.39Å; V368-F380 HydrophobicContact CG1-CB 4.14Å; V368-F380 HydrophobicContact CG1-CG 4.32Å; V368-F380 HydrophobicContact CG2-CD1 4.33Å; V368-F380 HydrophobicContact CG2-CD2 4.37Å; V368-F380 HydrophobicContact CG2-CE1 4.4Å; V368-F380 HydrophobicContact CG2-CE2 4.45Å; V368-F380 HydrophobicContact CG2-CG 4.31Å; V368-F380 HydrophobicContact CG2-CZ 4.47Å; V368-L412 HydrophobicContact CG1-CD2 4.1Å; V368-L417 HydrophobicContact CG2-CD1 4.08Å; V368-L417 HydrophobicContact CG2-CD2 4.47Å
369Q95.2Very high93.1Very high85 Ų8551.9 Ų51.940%0.39726%0.258SS..Hα-helixtrans-65.3-42.4178.9-179.7167.6-36.600112.5E365 S366 I367 G373 A377E365-Q369 WeakPolarHBondContact O-CB 3.41Å; E365-Q369 PolarHBondContact O-N 3.02Å; S366-Q369 PolarHBondContact O-N 3.06Å; S366-Q369 VanDerWaalsContact O-N 3.15Å; I367-Q369 VanDerWaalsContact C-N 3.35Å; Q369-G373 CarbonylContact O-C 3.45Å; Q369-G373 WeakPolarHBondContact O-CA 3.46Å; Q369-G373 PolarHBondContact O-N 2.98Å; Q369-A377 HydrophobicContact CB-CB 3.78Å; Q369-A377 HydrophobicContact CG-CB 4.34Å
370E93.9Very high93.2Very high166 Ų16650.7 Ų50.778%0.77625%0.252SS*.Hα-helixtrans-70.6-38.8178.4-71.8-178.8175.900112.3S366S366-E370 PolarHBondContact O-N 3.11Å
371R92.5Very high93.1Very high142 Ų14254.1 Ų54.154%0.53627%0.265SS..Hα-helixtrans-81.9-40.2-176.3-68.7-168.167.2-156.6-6.4114.5I367I367-R371 WeakPolarHBondContact O-CB 3.39Å; I367-R371 WeakPolarHBondContact O-CG 3.34Å; I367-R371 PolarHBondContact O-N 2.95Å; I367-R371 VanDerWaalsContact O-N 3.08Å
372F92.6Very high93.1Very high36 Ų3652.5 Ų52.516%0.15826%0.261CS..Hα-helixtrans-117.50.8-171.5-53.6-78.3000113.3V368 S376 T411 L412 H415 L417V368-F372 HydrophobicContact CG1-CD2 4.13Å; V368-F372 PolarHBondContact O-N 3.09Å; F372-S376 VanDerWaalsContact CB-CB 3.46Å; F372-S376 WeakPolarHBondContact O-CB 3.31Å; F372-S376 PolarHBondContact O-OG 3.01Å; F372-T411 HydrophobicContact CD1-CG2 3.83Å; F372-T411 HydrophobicContact CE1-CG2 3.73Å; F372-L412 HydrophobicContact CD2-CD2 3.97Å; F372-L412 HydrophobicContact CE2-CD2 4.28Å; F372-L412 HydrophobicContact CG-CD2 4.22Å; F372-H415 AromaticContact CE1-CD2 3.35Å; F372-H415 WeakPolarHBondContact CE1-CD2 3.3Å; F372-H415 AromaticContact CE1-NE2 3.68Å; F372-H415 HydrophobicContact CZ-CB 4.23Å; F372-H415 AromaticContact CZ-CD2 3.34Å; F372-H415 WeakPolarHBondContact CZ-CD2 3.3Å; F372-H415 AromaticContact CZ-CG 3.79Å; F372-H415 AromaticContact CZ-NE2 3.87Å; F372-L417 HydrophobicContact CD2-CD1 4.21Å; F372-L417 HydrophobicContact CE2-CD1 3.41Å; F372-L417 VanDerWaalsContact CE2-CD1 3.41Å; F372-L417 HydrophobicContact CZ-CD1 3.96Å
373G93.8Very high93.1Very high31 Ų3150.3 Ų50.332%0.3224%0.242SC..Hα-helixtrans83.1173.3179.900000114.6Q369 R375 S376 A377Q369-G373 CarbonylContact O-C 3.45Å; Q369-G373 WeakPolarHBondContact O-CA 3.46Å; Q369-G373 PolarHBondContact O-N 2.98Å; G373-R375 PolarHBondContact O-N 3.34Å; G373-S376 PolarHBondContact O-N 2.87Å; G373-A377 PolarHBondContact O-N 3.43Å; G373-A377 VanDerWaalsContact O-N 3.14Å
374S93.8Very high92.9Very high72 Ų7250.1 Ų50.150%0.50324%0.24SC..Hα-helixtrans-66.2-31.6-173.759.10000114.4R378S374-R378 PolarHBondContact O-N 2.9Å
375R93.4Very high92.7Very high123 Ų12360.1 Ų60.146%0.46428%0.278SS..Hα-helixtrans-67.9-46.2178.5-69.3-177.7-72.1-176.1-2111.7G373 A377 R378 I379 I400 E404 M408G373-R375 PolarHBondContact O-N 3.34Å; R375-A377 PolarHBondContact O-N 3.09Å; R375-R378 VanDerWaalsContact O-CB 3.31Å; R375-R378 WeakPolarHBondContact O-CB 3.49Å; R375-R378 PolarHBondContact O-N 3.32Å; R375-R378 VanDerWaalsContact O-N 3.15Å; R375-I379 PolarHBondContact O-N 2.75Å; R375-I400 HydrophobicContact CB-CD1 4.33Å; R375-E404 WeakPolarHBondContact CD-OE1 3.47Å; R375-E404 IonicContact CZ-OE1 2.84Å; R375-E404 IonicContact CZ-OE2 3.89Å; R375-E404 IonicContact NE-OE1 3Å; R375-E404 PolarHBondContact NE-OE1 2.86Å; R375-E404 IonicContact NH1-OE1 2.66Å; R375-E404 PolarHBondContact NH1-OE1 2.96Å; R375-E404 IonicContact NH1-OE2 2.94Å; R375-E404 PolarHBondContact NH1-OE2 3.32Å; R375-E404 IonicContact NH2-OE1 3.65Å; R375-M408 HydrophobicContact CB-CE 3.71Å; R375-M408 HydrophobicContact CB-SD 3.74Å
376S92.4Very high92.4Very high5 Ų563.6 Ų63.64%0.03529%0.292CS..Hα-helixtrans-63.1-41.5174-53.50000111.6F372 G373 R378 I379 F380 M408F372-S376 VanDerWaalsContact CB-CB 3.46Å; F372-S376 WeakPolarHBondContact O-CB 3.31Å; F372-S376 PolarHBondContact O-OG 3.01Å; G373-S376 PolarHBondContact O-N 2.87Å; S376-R378 VanDerWaalsContact C-N 3.28Å; S376-R378 PolarHBondContact O-N 3.26Å; S376-I379 PolarHBondContact O-N 3.44Å; S376-F380 PolarHBondContact O-N 3.39Å; S376-M408 PolarHBondContact OG-SD 3.46Å; S376-M408 VanDerWaalsContact OG-SD 3.4Å
377A92.4Very high92Very high0 Ų069.4 Ų69.40%030%0.304CS..Hα-helixtrans-62-34.517400000112.5V368 Q369 G373 R375 F380 R381V368-A377 HydrophobicContact CG1-CB 4.39Å; Q369-A377 HydrophobicContact CB-CB 3.78Å; Q369-A377 HydrophobicContact CG-CB 4.34Å; G373-A377 PolarHBondContact O-N 3.43Å; G373-A377 VanDerWaalsContact O-N 3.14Å; R375-A377 PolarHBondContact O-N 3.09Å; A377-F380 PolarHBondContact O-N 2.78Å; A377-R381 WeakPolarHBondContact O-CB 3.4Å; A377-R381 VanDerWaalsContact O-CG 3.27Å; A377-R381 WeakPolarHBondContact O-CG 3.47Å; A377-R381 PolarHBondContact O-N 3.34Å
378R93.1Very high91.8Very high118 Ų11872.4 Ų72.445%0.44532%0.317SS..Hα-helixtrans-62.3-46.7173.6-172-172.9-61.7164.81.2111.8S374 R375 S376 F380 R381 L382 A398S374-R378 PolarHBondContact O-N 2.9Å; R375-R378 VanDerWaalsContact O-CB 3.31Å; R375-R378 WeakPolarHBondContact O-CB 3.49Å; R375-R378 PolarHBondContact O-N 3.32Å; R375-R378 VanDerWaalsContact O-N 3.15Å; S376-R378 VanDerWaalsContact C-N 3.28Å; S376-R378 PolarHBondContact O-N 3.26Å; R378-F380 VanDerWaalsContact C-N 3.29Å; R378-F380 PolarHBondContact O-N 3.49Å; R378-R381 PolarHBondContact O-N 3.42Å; R378-L382 WeakPolarHBondContact O-CB 3.11Å; R378-L382 PolarHBondContact O-N 2.93Å; R378-A398 WeakPolarHBondContact CD-O 3.34Å; R378-A398 PolarHBondContact NH1-O 3.45Å
379I92.4Very high91.7Very high0 Ų072.6 Ų72.60%032%0.319CS..Hα-helixtrans-59.7-43.8175.2-65.1171.7000110R375 S376 L382 L383 V394 A398 I400 M408 L409R375-I379 PolarHBondContact O-N 2.75Å; S376-I379 PolarHBondContact O-N 3.44Å; I379-L382 WeakPolarHBondContact O-CB 3.45Å; I379-L382 PolarHBondContact O-N 2.93Å; I379-L383 HydrophobicContact CG2-CD1 3.99Å; I379-L383 HydrophobicContact CG2-CG 4.43Å; I379-L383 WeakPolarHBondContact O-CG 3.4Å; I379-L383 PolarHBondContact O-N 3.47Å; I379-V394 HydrophobicContact CB-CG1 4.47Å; I379-V394 HydrophobicContact CD1-CG1 4.49Å; I379-V394 HydrophobicContact CG1-CG1 4.15Å; I379-V394 HydrophobicContact CG2-CG1 3.7Å; I379-A398 HydrophobicContact CG1-CB 4.2Å; I379-I400 HydrophobicContact CD1-CD1 3.91Å; I379-I400 HydrophobicContact CG1-CD1 3.8Å; I379-M408 HydrophobicContact CD1-CB 3.93Å; I379-M408 HydrophobicContact CD1-SD 4.3Å; I379-L409 HydrophobicContact CG2-CD2 3.7Å; I379-L409 HydrophobicContact CG2-CG 4.25Å
380F93Very high91.5Very high2 Ų271.8 Ų71.81%0.00932%0.315CS..Hα-helixtrans-62.7-46.1179.1-169.3-100.3000113I364 V368 S376 A377 R378 L382 L383 L384 L417 V440I364-F380 HydrophobicContact CG2-CE1 3.63Å; I364-F380 HydrophobicContact CG2-CZ 3.48Å; I364-F380 VanDerWaalsContact CG2-CZ 3.48Å; V368-F380 HydrophobicContact CG1-CB 4.14Å; V368-F380 HydrophobicContact CG1-CG 4.32Å; V368-F380 HydrophobicContact CG2-CD1 4.33Å; V368-F380 HydrophobicContact CG2-CD2 4.37Å; V368-F380 HydrophobicContact CG2-CE1 4.4Å; V368-F380 HydrophobicContact CG2-CE2 4.45Å; V368-F380 HydrophobicContact CG2-CG 4.31Å; V368-F380 HydrophobicContact CG2-CZ 4.47Å; S376-F380 PolarHBondContact O-N 3.39Å; A377-F380 PolarHBondContact O-N 2.78Å; R378-F380 VanDerWaalsContact C-N 3.29Å; R378-F380 PolarHBondContact O-N 3.49Å; F380-L382 VanDerWaalsContact C-N 3.3Å; F380-L382 PolarHBondContact O-N 2.87Å; F380-L383 PolarHBondContact O-N 3.39Å; F380-L384 HydrophobicContact CD1-CD1 3.7Å; F380-L384 HydrophobicContact CD1-CG 4.4Å; F380-L384 HydrophobicContact CE1-CD1 3.44Å; F380-L384 VanDerWaalsContact CE1-CD1 3.44Å; F380-L384 HydrophobicContact CE1-CG 4.14Å; F380-L384 HydrophobicContact CZ-CD1 4.24Å; F380-L384 WeakPolarHBondContact O-CG 3.39Å; F380-L384 PolarHBondContact O-N 3.22Å; F380-L417 HydrophobicContact CE2-CB 4.38Å; F380-V440 HydrophobicContact CD2-CG1 4.44Å; F380-V440 HydrophobicContact CD2-CG2 3.99Å; F380-V440 HydrophobicContact CE1-CG1 4.5Å; F380-V440 HydrophobicContact CE2-CB 4.31Å; F380-V440 HydrophobicContact CE2-CG1 3.51Å; F380-V440 HydrophobicContact CE2-CG2 3.76Å; F380-V440 HydrophobicContact CZ-CG1 3.54Å
381R91.8Very high91.3Very high72 Ų7266.1 Ų66.127%0.27229%0.288SS..Hα-helixtrans-58.6-41.6173.4-73170.4-174.9124.69.1112.1E365 A377 R378 L384 R385E365-R381 HydrophobicContact CG-CG 4Å; E365-R381 IonicContact OE1-CZ 3.48Å; E365-R381 IonicContact OE1-NE 3.81Å; E365-R381 PolarHBondContact OE1-NE 3.41Å; E365-R381 IonicContact OE1-NH2 3.07Å; E365-R381 PolarHBondContact OE1-NH2 3.28Å; E365-R381 WeakPolarHBondContact OE2-CG 3.47Å; E365-R381 IonicContact OE2-NE 3.04Å; A377-R381 WeakPolarHBondContact O-CB 3.4Å; A377-R381 VanDerWaalsContact O-CG 3.27Å; A377-R381 WeakPolarHBondContact O-CG 3.47Å; A377-R381 PolarHBondContact O-N 3.34Å; R378-R381 PolarHBondContact O-N 3.42Å; R381-L384 PolarHBondContact O-N 3.29Å; R381-R385 WeakPolarHBondContact O-CG 3.18Å; R381-R385 PolarHBondContact O-N 2.85Å; R381-R385 VanDerWaalsContact O-N 3.13Å
382L92.6Very high91.3Very high26 Ų2666.1 Ų66.114%0.13629%0.292CS..Hα-helixtrans-63.1-47178.5175.668.5000110.9R378 I379 F380 L384 R385 K386 L389 V394 F397 A398R378-L382 WeakPolarHBondContact O-CB 3.11Å; R378-L382 PolarHBondContact O-N 2.93Å; I379-L382 WeakPolarHBondContact O-CB 3.45Å; I379-L382 PolarHBondContact O-N 2.93Å; F380-L382 VanDerWaalsContact C-N 3.3Å; F380-L382 PolarHBondContact O-N 2.87Å; L382-L384 VanDerWaalsContact C-N 3.32Å; L382-L384 PolarHBondContact O-N 2.96Å; L382-R385 PolarHBondContact O-N 3.15Å; L382-K386 HydrophobicContact CD1-CG 4.24Å; L382-K386 PolarHBondContact O-N 3.26Å; L382-L389 HydrophobicContact CD1-CD1 4.29Å; L382-L389 HydrophobicContact CD2-CD1 3.9Å; L382-L389 HydrophobicContact CG-CD1 3.64Å; L382-V394 HydrophobicContact CD2-CG1 4.48Å; L382-F397 HydrophobicContact CD1-CB 3.71Å; L382-F397 HydrophobicContact CD1-CG 4.34Å; L382-F397 HydrophobicContact CD2-CB 3.58Å; L382-F397 HydrophobicContact CG-CB 4.27Å; L382-A398 HydrophobicContact CD2-CB 4.19Å
383L91.4Very high91.3Very high0 Ų068 Ų680%030%0.301CS..Hα-helixtrans-61.4-39.4176.4-71.2169.5000112I379 F380 R385 R387 L389 V394 L409 V418 V440I379-L383 HydrophobicContact CG2-CD1 3.99Å; I379-L383 HydrophobicContact CG2-CG 4.43Å; I379-L383 WeakPolarHBondContact O-CG 3.4Å; I379-L383 PolarHBondContact O-N 3.47Å; F380-L383 PolarHBondContact O-N 3.39Å; L383-R385 VanDerWaalsContact C-N 3.34Å; L383-R385 PolarHBondContact O-N 3.07Å; L383-R387 WeakPolarHBondContact O-CA 3.34Å; L383-R387 PolarHBondContact O-N 3.17Å; L383-L389 HydrophobicContact CD2-CB 3.94Å; L383-L389 HydrophobicContact CD2-CD1 4.05Å; L383-L389 HydrophobicContact CD2-CG 4.33Å; L383-V394 HydrophobicContact CD2-CG2 4.21Å; L383-L409 HydrophobicContact CD1-CD2 4.15Å; L383-V418 HydrophobicContact CD1-CG1 4.1Å; L383-V418 HydrophobicContact CD1-CG2 3.77Å; L383-V440 HydrophobicContact CB-CG2 3.73Å; L383-V440 HydrophobicContact CD1-CG2 4.06Å
384L89.4Confident91.2Very high26 Ų2666.5 Ų66.514%0.13629%0.286CS..Hα-helixtrans-63.8-36176-78.8170.2000113.3R361 F380 R381 L382 V440 Q442R361-L384 HydrophobicContact CG-CD1 3.77Å; F380-L384 HydrophobicContact CD1-CD1 3.7Å; F380-L384 HydrophobicContact CD1-CG 4.4Å; F380-L384 HydrophobicContact CE1-CD1 3.44Å; F380-L384 VanDerWaalsContact CE1-CD1 3.44Å; F380-L384 HydrophobicContact CE1-CG 4.14Å; F380-L384 HydrophobicContact CZ-CD1 4.24Å; F380-L384 WeakPolarHBondContact O-CG 3.39Å; F380-L384 PolarHBondContact O-N 3.22Å; R381-L384 PolarHBondContact O-N 3.29Å; L382-L384 VanDerWaalsContact C-N 3.32Å; L382-L384 PolarHBondContact O-N 2.96Å; L384-V440 HydrophobicContact CD2-CB 4.12Å; L384-V440 HydrophobicContact CD2-CG1 3.64Å; L384-V440 HydrophobicContact CG-CB 4.42Å; L384-V440 HydrophobicContact CG-CG1 4.14Å; L384-Q442 HydrophobicContact CD2-CG 3.85Å
385R88.3Confident91.1Very high214 Ų21464.5 Ų64.581%0.80827%0.269SS*.Hα-helixtrans-77.5-43.7-179.8-72.3-178.8-178.4-174.10.4113R381 L382 L383R381-R385 WeakPolarHBondContact O-CG 3.18Å; R381-R385 PolarHBondContact O-N 2.85Å; R381-R385 VanDerWaalsContact O-N 3.13Å; L382-R385 PolarHBondContact O-N 3.15Å; L383-R385 VanDerWaalsContact C-N 3.34Å; L383-R385 PolarHBondContact O-N 3.07Å
386K86.6Confident91.1Very high122 Ų12263.1 Ų63.153%0.5327%0.271SS..Hα-helixtrans-92.5-11.5-175.2-64.7-66.8-172.7177.40113.8L382 H388 L389L382-K386 HydrophobicContact CD1-CG 4.24Å; L382-K386 PolarHBondContact O-N 3.26Å; K386-H388 PolarHBondContact O-N 3.41Å; K386-L389 HydrophobicContact CB-CD1 3.9Å; K386-L389 HydrophobicContact CB-CD2 3.75Å; K386-L389 HydrophobicContact CB-CG 3.82Å; K386-L389 HydrophobicContact CG-CD1 4.33Å; K386-L389 HydrophobicContact CG-CD2 4.22Å
387R85.6Confident91.1Very high183 Ų18368.4 Ų68.469%0.69129%0.293SS*.SBendtrans64.3-55.3-178.6-59.2-166.3178.9-152.12115.4L383 T439L383-R387 WeakPolarHBondContact O-CA 3.34Å; L383-R387 PolarHBondContact O-N 3.17Å; R387-T439 WeakPolarHBondContact O-CA 3.29Å
388H89.8Confident91Very high97 Ų9768.5 Ų68.545%0.44929%0.294SS..EExtended strand (participates in β ladder)trans-124.4118.8-177.3-56.3-65.1000109.8K386 L437 T439K386-H388 PolarHBondContact O-N 3.41Å; H388-L437 HydrophobicContact CB-CB 4.45Å; H388-L437 HydrophobicContact CB-CD1 4.26Å; H388-T439 PolarHBondContact CE1-OG1 3.19Å; H388-T439 PolarHBondContact ND1-OG1 2.92Å
389L91.6Very high90.9Very high5 Ų570.5 Ų70.53%0.02631%0.311CS..EExtended strand (participates in β ladder)trans-136.4142.7179.1-67.8176.4000112.1L382 L383 K386 Q393 V394 F397 Y438L382-L389 HydrophobicContact CD1-CD1 4.29Å; L382-L389 HydrophobicContact CD2-CD1 3.9Å; L382-L389 HydrophobicContact CG-CD1 3.64Å; L383-L389 HydrophobicContact CD2-CB 3.94Å; L383-L389 HydrophobicContact CD2-CD1 4.05Å; L383-L389 HydrophobicContact CD2-CG 4.33Å; K386-L389 HydrophobicContact CB-CD1 3.9Å; K386-L389 HydrophobicContact CB-CD2 3.75Å; K386-L389 HydrophobicContact CB-CG 3.82Å; K386-L389 HydrophobicContact CG-CD1 4.33Å; K386-L389 HydrophobicContact CG-CD2 4.22Å; L389-Q393 HydrophobicContact CD2-CB 4.14Å; L389-V394 HydrophobicContact CB-CG2 3.72Å; L389-V394 HydrophobicContact CD1-CG2 4.07Å; L389-F397 HydrophobicContact CD2-CD2 4.21Å; L389-F397 HydrophobicContact CD2-CE2 4.17Å; L389-Y438 PolarHBondContact N-O 3.48Å; L389-Y438 VanDerWaalsContact N-O 3.16Å; L389-Y438 PolarHBondContact O-N 3.08Å
390E91.6Very high90.9Very high68 Ų6871 Ų7132%0.31831%0.313SS..  trans-82.4159.6167.7-64.9-176.4173.700111.3K392 Q393 V394 L437E390-K392 VanDerWaalsContact C-N 3.33Å; E390-K392 PolarHBondContact O-N 3.27Å; E390-Q393 HydrophobicContact CB-CG 4.33Å; E390-Q393 VanDerWaalsContact N-OE1 3.13Å; E390-Q393 WeakPolarHBondContact O-CB 3.41Å; E390-Q393 PolarHBondContact O-N 3.17Å; E390-Q393 VanDerWaalsContact O-N 3.07Å; E390-V394 WeakPolarHBondContact O-CG2 3.38Å; E390-V394 PolarHBondContact O-N 2.79Å; E390-L437 HydrophobicContact CG-CD2 3.54Å
391Q90.3Very high91Very high46 Ų4675.1 Ų75.122%0.21534%0.34CS..Hα-helixtrans-52.9-46.5179.8-178.7169.679.100113Q393 V394 E395 K406 Y410 Y438Q391-Q393 VanDerWaalsContact C-N 3.33Å; Q391-Q393 PolarHBondContact O-N 2.94Å; Q391-V394 PolarHBondContact O-N 3.16Å; Q391-E395 WeakPolarHBondContact O-CG 3.5Å; Q391-E395 PolarHBondContact O-N 3.34Å; Q391-E395 VanDerWaalsContact O-N 3.09Å; Q391-K406 VanDerWaalsContact CD-CE 3.43Å; Q391-K406 HydrophobicContact CG-CD 4.43Å; Q391-K406 HydrophobicContact CG-CG 4.07Å; Q391-Y410 PolarHBondContact NE2-OH 3.4Å; Q391-Y438 HydrophobicContact CB-CE2 4.35Å
392K91.6Very high91Very high143 Ų14373.7 Ų73.762%0.62234%0.344SS*.Hα-helixtrans-62.4-39.6179.1-172.3177.7178.7-179.30112.3E390 E395 D396E390-K392 VanDerWaalsContact C-N 3.33Å; E390-K392 PolarHBondContact O-N 3.27Å; K392-E395 WeakPolarHBondContact O-CB 3.46Å; K392-E395 PolarHBondContact O-N 2.91Å; K392-D396 PolarHBondContact O-N 3.45Å
393Q91.7Very high91.1Very high75 Ų7581.6 Ų81.635%0.3538%0.377SS..Hα-helixtrans-69.3-35.6178.2-63.7173.6-21.800111.8L389 E390 Q391 E395 F397L389-Q393 HydrophobicContact CD2-CB 4.14Å; E390-Q393 HydrophobicContact CB-CG 4.33Å; E390-Q393 VanDerWaalsContact N-OE1 3.13Å; E390-Q393 WeakPolarHBondContact O-CB 3.41Å; E390-Q393 PolarHBondContact O-N 3.17Å; E390-Q393 VanDerWaalsContact O-N 3.07Å; Q391-Q393 VanDerWaalsContact C-N 3.33Å; Q391-Q393 PolarHBondContact O-N 2.94Å; Q393-E395 VanDerWaalsContact C-N 3.34Å; Q393-F397 HydrophobicContact CB-CD2 4.2Å; Q393-F397 HydrophobicContact CB-CE2 4.14Å; Q393-F397 WeakPolarHBondContact O-CB 3.15Å; Q393-F397 WeakPolarHBondContact O-CD2 3.32Å; Q393-F397 WeakPolarHBondContact O-CG 3.36Å; Q393-F397 PolarHBondContact O-N 2.94Å
394V91.8Very high91.2Very high0 Ų084 Ų840%039%0.388CS..Hα-helixtrans-62.8-44173.9175.50000110.5I379 L382 L383 L389 E390 Q391 A398 L409I379-V394 HydrophobicContact CB-CG1 4.47Å; I379-V394 HydrophobicContact CD1-CG1 4.49Å; I379-V394 HydrophobicContact CG1-CG1 4.15Å; I379-V394 HydrophobicContact CG2-CG1 3.7Å; L382-V394 HydrophobicContact CD2-CG1 4.48Å; L383-V394 HydrophobicContact CD2-CG2 4.21Å; L389-V394 HydrophobicContact CB-CG2 3.72Å; L389-V394 HydrophobicContact CD1-CG2 4.07Å; E390-V394 WeakPolarHBondContact O-CG2 3.38Å; E390-V394 PolarHBondContact O-N 2.79Å; Q391-V394 PolarHBondContact O-N 3.16Å; V394-A398 WeakPolarHBondContact O-CB 3.21Å; V394-A398 PolarHBondContact O-N 3.39Å; V394-L409 HydrophobicContact CB-CD1 4.26Å; V394-L409 HydrophobicContact CG1-CD1 4.03Å; V394-L409 HydrophobicContact CG1-CD2 4.47Å; V394-L409 HydrophobicContact CG1-CG 4.45Å; V394-L409 HydrophobicContact CG2-CD1 4.45Å
395E92.4Very high91.4Very high30 Ų3082.7 Ų82.714%0.1438%0.381CS..Hα-helixtrans-58.8-51.7176.9-67.4168-170.600111.3Q391 K392 Q393 M399 I400 A402 A405 K406Q391-E395 WeakPolarHBondContact O-CG 3.5Å; Q391-E395 PolarHBondContact O-N 3.34Å; Q391-E395 VanDerWaalsContact O-N 3.09Å; K392-E395 WeakPolarHBondContact O-CB 3.46Å; K392-E395 PolarHBondContact O-N 2.91Å; Q393-E395 VanDerWaalsContact C-N 3.34Å; E395-M399 PolarHBondContact O-N 2.81Å; E395-M399 VanDerWaalsContact O-N 3.09Å; E395-I400 PolarHBondContact O-N 2.78Å; E395-A402 VanDerWaalsContact CD-CB 3.47Å; E395-A402 HydrophobicContact CG-CB 4.35Å; E395-A402 WeakPolarHBondContact OE2-CB 3.31Å; E395-A405 HydrophobicContact CG-CB 3.8Å; E395-K406 WeakPolarHBondContact OE1-CE 3.32Å
396D93.1Very high91.5Very high94 Ų9476 Ų7650%0.50336%0.358SS..Hα-helixtrans-64.5-46.7-177.6-68.4-21.1000112.1K392 M399K392-D396 PolarHBondContact O-N 3.45Å; D396-M399 WeakPolarHBondContact O-CE 3.47Å
397F91.8Very high91.9Very high115 Ų11575.2 Ų75.250%0.50436%0.36SS..Hα-helixtrans-77.7-28.9-178-69.1-47.7000113.8L382 L389 Q393 M399L382-F397 HydrophobicContact CD1-CB 3.71Å; L382-F397 HydrophobicContact CD1-CG 4.34Å; L382-F397 HydrophobicContact CD2-CB 3.58Å; L382-F397 HydrophobicContact CG-CB 4.27Å; L389-F397 HydrophobicContact CD2-CD2 4.21Å; L389-F397 HydrophobicContact CD2-CE2 4.17Å; Q393-F397 HydrophobicContact CB-CD2 4.2Å; Q393-F397 HydrophobicContact CB-CE2 4.14Å; Q393-F397 WeakPolarHBondContact O-CB 3.15Å; Q393-F397 WeakPolarHBondContact O-CD2 3.32Å; Q393-F397 WeakPolarHBondContact O-CG 3.36Å; Q393-F397 PolarHBondContact O-N 2.94Å; F397-M399 VanDerWaalsContact C-N 3.33Å
398A90.1Very high92.2Very high3 Ų367.7 Ų67.73%0.02533%0.333CS..Hα-helixtrans-82.4-15.717800000112.8R378 I379 L382 V394 I400R378-A398 WeakPolarHBondContact CD-O 3.34Å; R378-A398 PolarHBondContact NH1-O 3.45Å; I379-A398 HydrophobicContact CG1-CB 4.2Å; L382-A398 HydrophobicContact CD2-CB 4.19Å; V394-A398 WeakPolarHBondContact O-CB 3.21Å; V394-A398 PolarHBondContact O-N 3.39Å; A398-I400 VanDerWaalsContact C-N 3.27Å; A398-I400 HydrophobicContact CB-CB 4.37Å; A398-I400 HydrophobicContact CB-CD1 3.81Å; A398-I400 HydrophobicContact CB-CG1 3.94Å; A398-I400 PolarHBondContact O-N 3.48Å
399M91.6Very high92.3Very high160 Ų16063.1 Ų63.179%0.78831%0.311SS*.THydrogen-bonded Turntrans54.845.1-172.8-60.7-73.1169.800111E395 D396 F397E395-M399 PolarHBondContact O-N 2.81Å; E395-M399 VanDerWaalsContact O-N 3.09Å; D396-M399 WeakPolarHBondContact O-CE 3.47Å; F397-M399 VanDerWaalsContact C-N 3.33Å
400I92.8Very high92.4Very high11 Ų1168.5 Ų68.56%0.05633%0.332CS..  trans-118137.5-179.4-63.6173000108.3R375 I379 E395 A398 E404 A405R375-I400 HydrophobicContact CB-CD1 4.33Å; I379-I400 HydrophobicContact CD1-CD1 3.91Å; I379-I400 HydrophobicContact CG1-CD1 3.8Å; E395-I400 PolarHBondContact O-N 2.78Å; A398-I400 VanDerWaalsContact C-N 3.27Å; A398-I400 HydrophobicContact CB-CB 4.37Å; A398-I400 HydrophobicContact CB-CD1 3.81Å; A398-I400 HydrophobicContact CB-CG1 3.94Å; A398-I400 PolarHBondContact O-N 3.48Å; I400-E404 HydrophobicContact CG2-CB 4.07Å; I400-E404 HydrophobicContact CG2-CG 4.43Å; I400-A405 HydrophobicContact CB-CB 4.31Å; I400-A405 HydrophobicContact CG2-CB 3.96Å
401P95Very high92.4Very high88 Ų8867.5 Ų67.557%0.57133%0.331SS*.  trans-56.6141177.1-24.334.1000112.5K403 E404 A405P401-K403 PolarHBondContact O-N 3.32Å; P401-E404 PolarHBondContact O-N 3.46Å; P401-A405 PolarHBondContact O-N 2.89Å
402A92.5Very high92.5Very high42 Ų4265.3 Ų65.335%0.34732%0.32SS..Hα-helixtrans-49.9-51-175.100000113.1E395 E404 A405 K406E395-A402 VanDerWaalsContact CD-CB 3.47Å; E395-A402 HydrophobicContact CG-CB 4.35Å; E395-A402 WeakPolarHBondContact OE2-CB 3.31Å; A402-E404 VanDerWaalsContact C-N 3.25Å; A402-E404 PolarHBondContact O-N 2.89Å; A402-A405 PolarHBondContact O-N 3.39Å; A402-K406 WeakPolarHBondContact O-CG 3.48Å; A402-K406 PolarHBondContact O-N 2.96Å
403K93.6Very high92.5Very high191 Ų19161 Ų6183%0.8330%0.304SS*.Hα-helixtrans-55.2-41.4-178.4-172.7178.8178.1-1770112.8P401 D407P401-K403 PolarHBondContact O-N 3.32Å; K403-D407 PolarHBondContact O-N 3.2Å
404E93.8Very high92.6Very high50 Ų5061.4 Ų61.423%0.23432%0.315CS..Hα-helixtrans-78.2-42.1-177.2-164.3-169.3144.300112R375 I400 P401 A402 K406 D407 M408R375-E404 WeakPolarHBondContact CD-OE1 3.47Å; R375-E404 IonicContact CZ-OE1 2.84Å; R375-E404 IonicContact CZ-OE2 3.89Å; R375-E404 IonicContact NE-OE1 3Å; R375-E404 PolarHBondContact NE-OE1 2.86Å; R375-E404 IonicContact NH1-OE1 2.66Å; R375-E404 PolarHBondContact NH1-OE1 2.96Å; R375-E404 IonicContact NH1-OE2 2.94Å; R375-E404 PolarHBondContact NH1-OE2 3.32Å; R375-E404 IonicContact NH2-OE1 3.65Å; I400-E404 HydrophobicContact CG2-CB 4.07Å; I400-E404 HydrophobicContact CG2-CG 4.43Å; P401-E404 PolarHBondContact O-N 3.46Å; A402-E404 VanDerWaalsContact C-N 3.25Å; A402-E404 PolarHBondContact O-N 2.89Å; E404-K406 PolarHBondContact O-N 3.01Å; E404-D407 PolarHBondContact O-N 3.49Å; E404-M408 HydrophobicContact CG-CE 4.34Å; E404-M408 HydrophobicContact CG-SD 4.45Å; E404-M408 WeakPolarHBondContact O-CG 3.41Å; E404-M408 PolarHBondContact O-N 2.89Å; E404-M408 WeakPolarHBondContact OE1-CE 3.35Å
405A93Very high92.4Very high0 Ų064.8 Ų64.80%033%0.331CS..Hα-helixtrans-59-38.8177.300000111.7E395 I400 P401 A402 L409E395-A405 HydrophobicContact CG-CB 3.8Å; I400-A405 HydrophobicContact CB-CB 4.31Å; I400-A405 HydrophobicContact CG2-CB 3.96Å; P401-A405 PolarHBondContact O-N 2.89Å; A402-A405 PolarHBondContact O-N 3.39Å; A405-L409 WeakPolarHBondContact O-CB 3.31Å; A405-L409 VanDerWaalsContact O-CG 3.3Å; A405-L409 WeakPolarHBondContact O-CG 3.46Å; A405-L409 PolarHBondContact O-N 3.28Å
406K91.9Very high92.3Very high73 Ų7368.5 Ų68.532%0.31735%0.352SS..Hα-helixtrans-64.6-47.2176.4-63.4-170.3-165-152.10112.3Q391 E395 A402 E404 M408 L409 Y410Q391-K406 VanDerWaalsContact CD-CE 3.43Å; Q391-K406 HydrophobicContact CG-CD 4.43Å; Q391-K406 HydrophobicContact CG-CG 4.07Å; E395-K406 WeakPolarHBondContact OE1-CE 3.32Å; A402-K406 WeakPolarHBondContact O-CG 3.48Å; A402-K406 PolarHBondContact O-N 2.96Å; E404-K406 PolarHBondContact O-N 3.01Å; K406-M408 VanDerWaalsContact C-N 3.34Å; K406-M408 PolarHBondContact O-N 3Å; K406-L409 PolarHBondContact O-N 3.23Å; K406-Y410 HydrophobicContact CB-CE2 4.12Å; K406-Y410 WeakPolarHBondContact O-CD2 3.45Å; K406-Y410 PolarHBondContact O-N 2.91Å
407D93.8Very high92.1Very high106 Ų10664.2 Ų64.257%0.56733%0.329SS*.Hα-helixtrans-61.1-44.7179.5-168.727.2000111.4K403 E404 Y410 T411K403-D407 PolarHBondContact O-N 3.2Å; E404-D407 PolarHBondContact O-N 3.49Å; D407-Y410 PolarHBondContact O-N 3.48Å; D407-T411 WeakPolarHBondContact O-CB 3.32Å; D407-T411 PolarHBondContact O-N 3.33Å; D407-T411 PolarHBondContact O-OG1 2.84Å
408M92.8Very high92.1Very high25 Ų2558.8 Ų58.812%0.12331%0.305CS..Hα-helixtrans-63.5-44.6175.2-69.5-173161.800112.5R375 S376 I379 E404 K406 Y410 T411 L412R375-M408 HydrophobicContact CB-CE 3.71Å; R375-M408 HydrophobicContact CB-SD 3.74Å; S376-M408 PolarHBondContact OG-SD 3.46Å; S376-M408 VanDerWaalsContact OG-SD 3.4Å; I379-M408 HydrophobicContact CD1-CB 3.93Å; I379-M408 HydrophobicContact CD1-SD 4.3Å; E404-M408 HydrophobicContact CG-CE 4.34Å; E404-M408 HydrophobicContact CG-SD 4.45Å; E404-M408 WeakPolarHBondContact O-CG 3.41Å; E404-M408 PolarHBondContact O-N 2.89Å; E404-M408 WeakPolarHBondContact OE1-CE 3.35Å; K406-M408 VanDerWaalsContact C-N 3.34Å; K406-M408 PolarHBondContact O-N 3Å; M408-Y410 PolarHBondContact O-N 3.14Å; M408-T411 PolarHBondContact O-N 2.95Å; M408-L412 VanDerWaalsContact O-CG 3.32Å; M408-L412 WeakPolarHBondContact O-CG 3.32Å; M408-L412 PolarHBondContact O-N 3.42Å
409L91.8Very high92.1Very high0 Ų062.6 Ų62.60%032%0.322CS..Hα-helixtrans-60.6-44.3177.2-83169.8000112.1I379 L383 V394 A405 K406 T411 L412 L413 Y438I379-L409 HydrophobicContact CG2-CD2 3.7Å; I379-L409 HydrophobicContact CG2-CG 4.25Å; L383-L409 HydrophobicContact CD1-CD2 4.15Å; V394-L409 HydrophobicContact CB-CD1 4.26Å; V394-L409 HydrophobicContact CG1-CD1 4.03Å; V394-L409 HydrophobicContact CG1-CD2 4.47Å; V394-L409 HydrophobicContact CG1-CG 4.45Å; V394-L409 HydrophobicContact CG2-CD1 4.45Å; A405-L409 WeakPolarHBondContact O-CB 3.31Å; A405-L409 VanDerWaalsContact O-CG 3.3Å; A405-L409 WeakPolarHBondContact O-CG 3.46Å; A405-L409 PolarHBondContact O-N 3.28Å; K406-L409 PolarHBondContact O-N 3.23Å; L409-T411 VanDerWaalsContact C-N 3.34Å; L409-L412 PolarHBondContact O-N 3.21Å; L409-L413 WeakPolarHBondContact O-CB 3.41Å; L409-L413 PolarHBondContact O-N 3.31Å; L409-Y438 HydrophobicContact CD1-CD2 4.46Å; L409-Y438 HydrophobicContact CD1-CE2 4.3Å; L409-Y438 HydrophobicContact CD2-CD1 4.35Å; L409-Y438 HydrophobicContact CD2-CG 4.26Å
410Y92.7Very high92.1Very high119 Ų11957.8 Ų57.847%0.46730%0.3SS..Hα-helixtrans-68.2-35.3178.6-61.7-30.9000112.3Q391 K406 D407 M408 L413 S414 Y438Q391-Y410 PolarHBondContact NE2-OH 3.4Å; K406-Y410 HydrophobicContact CB-CE2 4.12Å; K406-Y410 WeakPolarHBondContact O-CD2 3.45Å; K406-Y410 PolarHBondContact O-N 2.91Å; D407-Y410 PolarHBondContact O-N 3.48Å; M408-Y410 PolarHBondContact O-N 3.14Å; Y410-L413 PolarHBondContact O-N 2.97Å; Y410-S414 PolarHBondContact O-N 3.15Å; Y410-Y438 WeakPolarHBondContact CE1-OH 3.44Å
411T93.1Very high92Very high46 Ų4662.2 Ų62.228%0.28232%0.32SS..Hα-helixtrans-64-42.1172.4-58.30000111.5F372 D407 M408 L409 L413 S414 H415F372-T411 HydrophobicContact CD1-CG2 3.83Å; F372-T411 HydrophobicContact CE1-CG2 3.73Å; D407-T411 WeakPolarHBondContact O-CB 3.32Å; D407-T411 PolarHBondContact O-N 3.33Å; D407-T411 PolarHBondContact O-OG1 2.84Å; M408-T411 PolarHBondContact O-N 2.95Å; L409-T411 VanDerWaalsContact C-N 3.34Å; T411-L413 VanDerWaalsContact C-N 3.32Å; T411-L413 PolarHBondContact O-N 3.37Å; T411-S414 PolarHBondContact O-N 2.93Å; T411-S414 PolarHBondContact O-OG 3.37Å; T411-H415 PolarHBondContact O-CD2 3.28Å; T411-H415 VanDerWaalsContact O-CD2 3.23Å; T411-H415 PolarHBondContact O-N 3.33Å
412L91.8Very high91.8Very high0 Ų062 Ų620%031%0.311CS..Hα-helixtrans-67.8-33.5176.1-68.5174.4000112.5V368 F372 M408 L409 N416 L417 V418V368-L412 HydrophobicContact CG1-CD2 4.1Å; F372-L412 HydrophobicContact CD2-CD2 3.97Å; F372-L412 HydrophobicContact CE2-CD2 4.28Å; F372-L412 HydrophobicContact CG-CD2 4.22Å; M408-L412 VanDerWaalsContact O-CG 3.32Å; M408-L412 WeakPolarHBondContact O-CG 3.32Å; M408-L412 PolarHBondContact O-N 3.42Å; L409-L412 PolarHBondContact O-N 3.21Å; L412-N416 PolarHBondContact O-N 3.01Å; L412-L417 HydrophobicContact CD2-CB 4.44Å; L412-L417 HydrophobicContact CD2-CD1 3.74Å; L412-L417 PolarHBondContact O-N 3.33Å; L412-V418 HydrophobicContact CB-CB 4.36Å; L412-V418 HydrophobicContact CB-CG2 3.72Å; L412-V418 HydrophobicContact CD1-CG2 4.22Å; L412-V418 PolarHBondContact O-N 3.48Å
413L92.1Very high91.7Very high52 Ų5263.8 Ų63.827%0.27231%0.314SS..Hα-helixtrans-68.6-43.3175.6-17564.2000111.6L409 Y410 T411 H415 N416 V418 L420 Y438L409-L413 WeakPolarHBondContact O-CB 3.41Å; L409-L413 PolarHBondContact O-N 3.31Å; Y410-L413 PolarHBondContact O-N 2.97Å; T411-L413 VanDerWaalsContact C-N 3.32Å; T411-L413 PolarHBondContact O-N 3.37Å; L413-H415 PolarHBondContact O-N 2.93Å; L413-N416 PolarHBondContact O-N 2.92Å; L413-V418 WeakPolarHBondContact CD1-O 3.34Å; L413-L420 HydrophobicContact CD1-CB 4.12Å; L413-L420 HydrophobicContact CD2-CD1 4.39Å; L413-Y438 HydrophobicContact CD2-CE1 4.47Å
414S92.1Very high91.4Very high84 Ų8456.7 Ų56.759%0.58729%0.287SS*.Hα-helixtrans-64.5-29.3178.971.20000112.8Y410 T411 N416Y410-S414 PolarHBondContact O-N 3.15Å; T411-S414 PolarHBondContact O-N 2.93Å; T411-S414 PolarHBondContact O-OG 3.37Å; S414-N416 VanDerWaalsContact C-N 3.3Å
415H89.6Confident91.2Very high71 Ų7161 Ų6133%0.32931%0.305SS..THydrogen-bonded Turntrans-85.56.8172.8-73.9-64.5000114.4F372 T411 L413 L417 M448F372-H415 AromaticContact CE1-CD2 3.35Å; F372-H415 WeakPolarHBondContact CE1-CD2 3.3Å; F372-H415 AromaticContact CE1-NE2 3.68Å; F372-H415 HydrophobicContact CZ-CB 4.23Å; F372-H415 AromaticContact CZ-CD2 3.34Å; F372-H415 WeakPolarHBondContact CZ-CD2 3.3Å; F372-H415 AromaticContact CZ-CG 3.79Å; F372-H415 AromaticContact CZ-NE2 3.87Å; T411-H415 PolarHBondContact O-CD2 3.28Å; T411-H415 VanDerWaalsContact O-CD2 3.23Å; T411-H415 PolarHBondContact O-N 3.33Å; L413-H415 PolarHBondContact O-N 2.93Å; H415-L417 HydrophobicContact CB-CD1 4.06Å; H415-L417 HydrophobicContact CB-CG 4.17Å; H415-L417 PolarHBondContact O-N 3.34Å; H415-L417 VanDerWaalsContact O-N 3.16Å; H415-M448 WeakPolarHBondContact O-CE 3.49Å; H415-M448 VanDerWaalsContact O-SD 3.37Å
416N89.8Confident90.9Very high109 Ų10962.5 Ų62.558%0.58332%0.315SS*.THydrogen-bonded Turntrans55.225.8-178.2-58.7-67.8000114.4L412 L413 S414 M448L412-N416 PolarHBondContact O-N 3.01Å; L413-N416 PolarHBondContact O-N 2.92Å; S414-N416 VanDerWaalsContact C-N 3.3Å; N416-M448 HydrophobicContact CB-SD 3.7Å
417L88.8Confident90.6Very high4 Ų464.5 Ų64.52%0.02134%0.335CS..SBendtrans-81.8-31.3174.8-65.4167.4000111.2V368 F372 F380 L412 H415 T445 M448 L449V368-L417 HydrophobicContact CG2-CD1 4.08Å; V368-L417 HydrophobicContact CG2-CD2 4.47Å; F372-L417 HydrophobicContact CD2-CD1 4.21Å; F372-L417 HydrophobicContact CE2-CD1 3.41Å; F372-L417 VanDerWaalsContact CE2-CD1 3.41Å; F372-L417 HydrophobicContact CZ-CD1 3.96Å; F380-L417 HydrophobicContact CE2-CB 4.38Å; L412-L417 HydrophobicContact CD2-CB 4.44Å; L412-L417 HydrophobicContact CD2-CD1 3.74Å; L412-L417 PolarHBondContact O-N 3.33Å; H415-L417 HydrophobicContact CB-CD1 4.06Å; H415-L417 HydrophobicContact CB-CG 4.17Å; H415-L417 PolarHBondContact O-N 3.34Å; H415-L417 VanDerWaalsContact O-N 3.16Å; L417-T445 HydrophobicContact CD2-CG2 3.85Å; L417-M448 HydrophobicContact CD2-CE 3.74Å; L417-M448 HydrophobicContact CG-CE 4.34Å; L417-L449 HydrophobicContact CD2-CD2 4.49Å
418V91.8Very high90.1Very high1 Ų165.5 Ų65.51%0.00634%0.341CS..SBendtrans-115.2141.1174179.30000107.8L383 L412 L413 Y438 V440L383-V418 HydrophobicContact CD1-CG1 4.1Å; L383-V418 HydrophobicContact CD1-CG2 3.77Å; L412-V418 HydrophobicContact CB-CB 4.36Å; L412-V418 HydrophobicContact CB-CG2 3.72Å; L412-V418 HydrophobicContact CD1-CG2 4.22Å; L412-V418 PolarHBondContact O-N 3.48Å; L413-V418 WeakPolarHBondContact CD1-O 3.34Å; V418-Y438 HydrophobicContact CG1-CD1 3.72Å; V418-Y438 HydrophobicContact CG1-CG 4.26Å; V418-V440 HydrophobicContact CG2-CG2 3.89Å
419Q90.5Very high89.7Confident83 Ų8370.3 Ų70.339%0.38836%0.361SS..EExtended strand (participates in β ladder)trans-109.4150.7174.5-65.6179.7-24.900109.5T439Q419-T439 PolarHBondContact N-O 2.96Å; Q419-T439 PolarHBondContact O-N 3.28Å
420L91.4Very high89.6Confident59 Ų5971.8 Ų71.831%0.30937%0.373SS..EExtended strand (participates in β ladder)trans-107.5118.8178.6178.1151000108.4L413 E422 Y436 Y438L413-L420 HydrophobicContact CD1-CB 4.12Å; L413-L420 HydrophobicContact CD2-CD1 4.39Å; L420-E422 HydrophobicContact CD2-CG 3.38Å; L420-Y436 HydrophobicContact CD1-CD1 3.86Å; L420-Y436 HydrophobicContact CD1-CG 4.4Å; L420-Y436 HydrophobicContact CD2-CD1 3.47Å; L420-Y436 VanDerWaalsContact CD2-CD1 3.47Å; L420-Y436 HydrophobicContact CD2-CE1 3.97Å; L420-Y436 HydrophobicContact CG-CD1 3.94Å; L420-Y438 HydrophobicContact CD1-CE1 4.32Å
421Q90Very high89.3Confident103 Ų10370.5 Ų70.548%0.48138%0.379SS..EExtended strand (participates in β ladder)trans-101.4114178.1-179.366.347.100108.4I423 L437Q421-I423 HydrophobicContact CG-CG1 4.46Å; Q421-L437 HydrophobicContact CB-CB 4.33Å; Q421-L437 PolarHBondContact N-O 3.42Å; Q421-L437 PolarHBondContact O-N 2.85Å
422E90.6Very high89Confident83 Ų8373.6 Ų73.639%0.38840%0.403SS..EExtended strand (participates in β ladder)trans-87.5125.9177.8-60-169.9-174.300109.9L420 T434 F435 Y436L420-E422 HydrophobicContact CD2-CG 3.38Å; E422-T434 HydrophobicContact CB-CG2 3.72Å; E422-T434 HydrophobicContact CG-CG2 4.29Å; E422-F435 WeakPolarHBondContact CA-O 3.35Å; E422-Y436 HydrophobicContact CG-CD1 3.86Å; E422-Y436 HydrophobicContact CG-CE1 3.69Å
423I89.9Confident88.8Confident80 Ų8080.6 Ų80.641%0.4143%0.429SS..EExtended strand (participates in β ladder)trans-117101.1171.9-56.2-173.1000108Q421 F435 L437Q421-I423 HydrophobicContact CG-CG1 4.46Å; I423-F435 HydrophobicContact CB-CB 4.42Å; I423-F435 PolarHBondContact N-O 3.01Å; I423-F435 PolarHBondContact O-N 3.06Å; I423-L437 HydrophobicContact CD1-CD1 3.4Å; I423-L437 VanDerWaalsContact CD1-CD1 3.4Å; I423-L437 HydrophobicContact CG1-CD1 4.13Å
424P89.2Confident88.7Confident42 Ų4278.7 Ų78.727%0.27342%0.42SS..EExtended strand (participates in β ladder)trans-75.5137.6-178.433.5-38.8000111.2T426 F429P424-T426 WeakPolarHBondContact CB-O 3.38Å; P424-F429 HydrophobicContact CB-CD1 3.87Å; P424-F429 HydrophobicContact CB-CE1 4.15Å; P424-F429 HydrophobicContact CB-CG 4.28Å; P424-F429 HydrophobicContact CG-CD1 3.77Å; P424-F429 HydrophobicContact CG-CE1 3.5Å; P424-F429 HydrophobicContact CG-CG 4.45Å; P424-F429 HydrophobicContact CG-CZ 3.96Å
425K88.6Confident88.6Confident140 Ų14078.9 Ų78.961%0.60941%0.41SS*.SBendtrans-77.7-27.4168.7-66.4176.9-180177.60112.5R433 F435K425-R433 VanDerWaalsContact CB-O 3.23Å; K425-R433 WeakPolarHBondContact CB-O 3.28Å; K425-R433 VanDerWaalsContact CG-O 3.26Å; K425-R433 WeakPolarHBondContact CG-O 3.49Å; K425-R433 PolarHBondContact N-O 2.96Å; K425-F435 HydrophobicContact CD-CE2 4.14Å; K425-F435 HydrophobicContact CD-CZ 4.48Å; K425-F435 HydrophobicContact CG-CD2 4.31Å; K425-F435 HydrophobicContact CG-CE2 4Å
426T87.8Confident88.6Confident33 Ų3379.1 Ų79.120%0.20241%0.409CS..SBendtrans-126.8145.5-178.749.10000109.3P424 D428 F429P424-T426 WeakPolarHBondContact CB-O 3.38Å; T426-D428 PolarHBondContact O-N 3.48Å; T426-F429 PolarHBondContact O-N 2.78Å
427P84.6Confident88.8Confident114 Ų11475.1 Ų75.174%0.7439%0.388SS*.THydrogen-bonded Turntrans-62.7-10.6-175.527.8-36.3000114.3F429P427-F429 WeakPolarHBondContact O-CD2 3.35Å; P427-F429 WeakPolarHBondContact O-CE2 3.34Å; P427-F429 PolarHBondContact O-N 2.91Å
428D84.3Confident88.9Confident128 Ų12875.5 Ų75.568%0.68439%0.389SS*.THydrogen-bonded Turntrans-77.6-0.1179.5-50.8-41.8000114.2T426 A430T426-D428 PolarHBondContact O-N 3.48Å; D428-A430 PolarHBondContact O-N 3.3Å
429F82.9Confident88.9Confident125 Ų12576.5 Ų76.555%0.54840%0.395SS..  trans48.725.3-179.7-68.2-94.2000115.2P424 T426 P427P424-F429 HydrophobicContact CB-CD1 3.87Å; P424-F429 HydrophobicContact CB-CE1 4.15Å; P424-F429 HydrophobicContact CB-CG 4.28Å; P424-F429 HydrophobicContact CG-CD1 3.77Å; P424-F429 HydrophobicContact CG-CE1 3.5Å; P424-F429 HydrophobicContact CG-CG 4.45Å; P424-F429 HydrophobicContact CG-CZ 3.96Å; T426-F429 PolarHBondContact O-N 2.78Å; P427-F429 WeakPolarHBondContact O-CD2 3.35Å; P427-F429 WeakPolarHBondContact O-CE2 3.34Å; P427-F429 PolarHBondContact O-N 2.91Å
430A89.5Confident88.9Confident31 Ų3173.3 Ų73.326%0.25638%0.381SS..  trans-62.8127-178.300000111.4D428 S432 R433 T434D428-A430 PolarHBondContact O-N 3.3Å; A430-S432 PolarHBondContact O-N 3.04Å; A430-R433 CarbonylContact O-C 3.5Å; A430-R433 PolarHBondContact O-N 2.92Å; A430-T434 PolarHBondContact O-N 3.38Å; A430-T434 PolarHBondContact O-OG1 3.21Å; A430-T434 VanDerWaalsContact O-OG1 3.05Å
431P87.1Confident88.8Confident92 Ų9273.9 Ų73.960%0.59738%0.384SS*.G310 helixtrans-54.3-30.8-176.3-31.737000115.2R433 Y436P431-R433 VanDerWaalsContact C-N 3.25Å; P431-R433 PolarHBondContact O-N 2.94Å; P431-Y436 WeakPolarHBondContact CA-OH 3.45Å; P431-Y436 WeakPolarHBondContact CB-OH 3.41Å
432S87.6Confident88.8Confident111 Ų11170.9 Ų70.978%0.77637%0.37SS*.G310 helixtrans-70.7-18.9178.260.80000114A430A430-S432 PolarHBondContact O-N 3.04Å
433R87.3Confident88.8Confident147 Ų14768.7 Ų68.756%0.55536%0.361SS*.G310 helixtrans-120.417.2-177.7-63.3-177.8177.7176.7-0.4112.4K425 A430 P431K425-R433 VanDerWaalsContact CB-O 3.23Å; K425-R433 WeakPolarHBondContact CB-O 3.28Å; K425-R433 VanDerWaalsContact CG-O 3.26Å; K425-R433 WeakPolarHBondContact CG-O 3.49Å; K425-R433 PolarHBondContact N-O 2.96Å; A430-R433 CarbonylContact O-C 3.5Å; A430-R433 PolarHBondContact O-N 2.92Å; P431-R433 VanDerWaalsContact C-N 3.25Å; P431-R433 PolarHBondContact O-N 2.94Å
434T89.9Confident88.8Confident12 Ų1267.1 Ų67.17%0.07436%0.356CS..EExtended strand (participates in β ladder)trans-113.1134.7179.5-640000109.8E422 A430 Y436E422-T434 HydrophobicContact CB-CG2 3.72Å; E422-T434 HydrophobicContact CG-CG2 4.29Å; A430-T434 PolarHBondContact O-N 3.38Å; A430-T434 PolarHBondContact O-OG1 3.21Å; A430-T434 VanDerWaalsContact O-OG1 3.05Å; T434-Y436 HydrophobicContact CG2-CE1 4.27Å
435F89.6Confident88.9Confident88 Ų8865.2 Ų65.239%0.38634%0.344SS..EExtended strand (participates in β ladder)trans-85133.4170-66.9-71000109.8E422 I423 K425E422-F435 WeakPolarHBondContact CA-O 3.35Å; I423-F435 HydrophobicContact CB-CB 4.42Å; I423-F435 PolarHBondContact N-O 3.01Å; I423-F435 PolarHBondContact O-N 3.06Å; K425-F435 HydrophobicContact CD-CE2 4.14Å; K425-F435 HydrophobicContact CD-CZ 4.48Å; K425-F435 HydrophobicContact CG-CD2 4.31Å; K425-F435 HydrophobicContact CG-CE2 4Å
436Y90.4Very high89.1Confident76 Ų7658.5 Ų58.530%0.29832%0.315SS..EExtended strand (participates in β ladder)trans-105.6104.8178.2-66.4-72.3000109.5L420 E422 P431 T434L420-Y436 HydrophobicContact CD1-CD1 3.86Å; L420-Y436 HydrophobicContact CD1-CG 4.4Å; L420-Y436 HydrophobicContact CD2-CD1 3.47Å; L420-Y436 VanDerWaalsContact CD2-CD1 3.47Å; L420-Y436 HydrophobicContact CD2-CE1 3.97Å; L420-Y436 HydrophobicContact CG-CD1 3.94Å; E422-Y436 HydrophobicContact CG-CD1 3.86Å; E422-Y436 HydrophobicContact CG-CE1 3.69Å; P431-Y436 WeakPolarHBondContact CA-OH 3.45Å; P431-Y436 WeakPolarHBondContact CB-OH 3.41Å; T434-Y436 HydrophobicContact CG2-CE1 4.27Å
437L92.3Very high89.3Confident26 Ų2662.5 Ų62.514%0.13633%0.326CS..EExtended strand (participates in β ladder)trans-102.7124.5179.2-64.3173.2000110.4H388 E390 Q421 I423H388-L437 HydrophobicContact CB-CB 4.45Å; H388-L437 HydrophobicContact CB-CD1 4.26Å; E390-L437 HydrophobicContact CG-CD2 3.54Å; Q421-L437 HydrophobicContact CB-CB 4.33Å; Q421-L437 PolarHBondContact N-O 3.42Å; Q421-L437 PolarHBondContact O-N 2.85Å; I423-L437 HydrophobicContact CD1-CD1 3.4Å; I423-L437 VanDerWaalsContact CD1-CD1 3.4Å; I423-L437 HydrophobicContact CG1-CD1 4.13Å
438Y92.6Very high89.7Confident12 Ų1258.9 Ų58.95%0.04730%0.3CS..EExtended strand (participates in β ladder)trans-80.3130.1173.2-65.2-80.4000109.7L389 Q391 L409 Y410 L413 V418 L420L389-Y438 PolarHBondContact N-O 3.48Å; L389-Y438 VanDerWaalsContact N-O 3.16Å; L389-Y438 PolarHBondContact O-N 3.08Å; Q391-Y438 HydrophobicContact CB-CE2 4.35Å; L409-Y438 HydrophobicContact CD1-CD2 4.46Å; L409-Y438 HydrophobicContact CD1-CE2 4.3Å; L409-Y438 HydrophobicContact CD2-CD1 4.35Å; L409-Y438 HydrophobicContact CD2-CG 4.26Å; Y410-Y438 WeakPolarHBondContact CE1-OH 3.44Å; L413-Y438 HydrophobicContact CD2-CE1 4.47Å; V418-Y438 HydrophobicContact CG1-CD1 3.72Å; V418-Y438 HydrophobicContact CG1-CG 4.26Å; L420-Y438 HydrophobicContact CD1-CE1 4.32Å
439T91.6Very high90.1Very high21 Ų2153.1 Ų53.113%0.12927%0.269CS..EExtended strand (participates in β ladder)trans-135142.4-177.2-51.70000109.9R387 H388 Q419R387-T439 WeakPolarHBondContact O-CA 3.29Å; H388-T439 PolarHBondContact CE1-OG1 3.19Å; H388-T439 PolarHBondContact ND1-OG1 2.92Å; Q419-T439 PolarHBondContact N-O 2.96Å; Q419-T439 PolarHBondContact O-N 3.28Å
440V90.6Very high90.5Very high16 Ų1648.1 Ų48.110%0.09725%0.247CC..  trans-113.4118.1172.3175.80000108.5F380 L383 L384 V418F380-V440 HydrophobicContact CD2-CG1 4.44Å; F380-V440 HydrophobicContact CD2-CG2 3.99Å; F380-V440 HydrophobicContact CE1-CG1 4.5Å; F380-V440 HydrophobicContact CE2-CB 4.31Å; F380-V440 HydrophobicContact CE2-CG1 3.51Å; F380-V440 HydrophobicContact CE2-CG2 3.76Å; F380-V440 HydrophobicContact CZ-CG1 3.54Å; L383-V440 HydrophobicContact CB-CG2 3.73Å; L383-V440 HydrophobicContact CD1-CG2 4.06Å; L384-V440 HydrophobicContact CD2-CB 4.12Å; L384-V440 HydrophobicContact CD2-CG1 3.64Å; L384-V440 HydrophobicContact CG-CB 4.42Å; L384-V440 HydrophobicContact CG-CG1 4.14Å; V418-V440 HydrophobicContact CG2-CG2 3.89Å
441N89.3Confident90.7Very high72 Ų7250.6 Ų50.639%0.38525%0.254SS..  trans-100.2119.9172.4-169.1-16.1000110L443 P444 T445N441-L443 PolarHBondContact O-N 3.35Å; N441-L443 PolarHBondContact OD1-N 3.14Å; N441-P444 HydrophobicContact CB-CG 3.99Å; N441-P444 WeakPolarHBondContact ND2-CD 3.45Å; N441-P444 WeakPolarHBondContact OD1-CD 3.13Å; N441-T445 WeakPolarHBondContact O-CB 3.28Å; N441-T445 PolarHBondContact O-N 3.27Å; N441-T445 PolarHBondContact O-OG1 3.05Å
442Q88.3Confident90.9Very high40 Ų4049.5 Ų49.519%0.18724%0.243CC..Hα-helixtrans-65.1-40-175.3-70.5169.810.700112.4L384 A446 Y540L384-Q442 HydrophobicContact CD2-CG 3.85Å; Q442-A446 VanDerWaalsContact O-CB 3.23Å; Q442-A446 WeakPolarHBondContact O-CB 3.37Å; Q442-A446 PolarHBondContact O-N 3.07Å; Q442-Y540 HydrophobicContact CB-CE1 4.42Å
443L90.9Very high91.2Very high36 Ų3644.9 Ų44.919%0.18821%0.21CC..Hα-helixtrans-71.2-50.3-172.6178.969.8000113.4N441 T445 A446 R447 Y540 V541 T544N441-L443 PolarHBondContact O-N 3.35Å; N441-L443 PolarHBondContact OD1-N 3.14Å; L443-T445 VanDerWaalsContact C-N 3.32Å; L443-T445 PolarHBondContact O-N 3.47Å; L443-A446 PolarHBondContact O-N 2.98Å; L443-R447 WeakPolarHBondContact O-CG 3.27Å; L443-R447 PolarHBondContact O-N 3.48Å; L443-Y540 HydrophobicContact CD1-CE1 4.41Å; L443-V541 HydrophobicContact CD1-CG2 4.18Å; L443-T544 HydrophobicContact CD1-CG2 4.23Å; L443-T544 HydrophobicContact CD2-CG2 4.07Å
444P90.5Very high91.5Very high48 Ų4838.4 Ų38.431%0.31219%0.186SC..Hα-helixtrans-60.9-40.8174.2-22.534.4000112.3N441 R447 M448N441-P444 HydrophobicContact CB-CG 3.99Å; N441-P444 WeakPolarHBondContact ND2-CD 3.45Å; N441-P444 WeakPolarHBondContact OD1-CD 3.13Å; P444-R447 PolarHBondContact O-N 2.95Å; P444-M448 WeakPolarHBondContact O-CB 3.45Å; P444-M448 PolarHBondContact O-N 3.3Å
445T91.1Very high91.8Very high1 Ų142.5 Ų42.51%0.00620%0.203CC..Hα-helixtrans-64-42.5177.9-60.30000111.4I364 L417 N441 L443 M448 L449I364-T445 HydrophobicContact CD1-CG2 4.42Å; I364-T445 HydrophobicContact CG2-CG2 3.93Å; L417-T445 HydrophobicContact CD2-CG2 3.85Å; N441-T445 WeakPolarHBondContact O-CB 3.28Å; N441-T445 PolarHBondContact O-N 3.27Å; N441-T445 PolarHBondContact O-OG1 3.05Å; L443-T445 VanDerWaalsContact C-N 3.32Å; L443-T445 PolarHBondContact O-N 3.47Å; T445-M448 PolarHBondContact O-N 2.88Å; T445-L449 HydrophobicContact CG2-CD1 3.87Å; T445-L449 HydrophobicContact CG2-CG 4.42Å; T445-L449 WeakPolarHBondContact O-CB 3.47Å; T445-L449 VanDerWaalsContact O-CG 3.29Å; T445-L449 WeakPolarHBondContact O-CG 3.45Å; T445-L449 PolarHBondContact O-N 3.33Å
446A92.6Very high92Very high0 Ų041.3 Ų41.30%020%0.203CC..Hα-helixtrans-60.8-44.2174.300000112I364 Q442 L443 L449 L450 L537 Y540 V541I364-A446 HydrophobicContact CD1-CB 4.3Å; Q442-A446 VanDerWaalsContact O-CB 3.23Å; Q442-A446 WeakPolarHBondContact O-CB 3.37Å; Q442-A446 PolarHBondContact O-N 3.07Å; L443-A446 PolarHBondContact O-N 2.98Å; A446-L449 PolarHBondContact O-N 2.88Å; A446-L450 VanDerWaalsContact O-CB 3.31Å; A446-L450 WeakPolarHBondContact O-CB 3.46Å; A446-L450 PolarHBondContact O-N 2.91Å; A446-L537 HydrophobicContact CB-CD2 4.09Å; A446-Y540 HydrophobicContact CB-CD1 3.97Å; A446-Y540 HydrophobicContact CB-CE1 4.16Å; A446-V541 HydrophobicContact CB-CG2 4.27Å
447R92.4Very high92.2Very high116 Ų11637.7 Ų37.744%0.43819%0.189SC..Hα-helixtrans-63.8-42.3177.1-72.9177.9176.7166.70.5112.6L443 P444 L450 Q451 V541L443-R447 WeakPolarHBondContact O-CG 3.27Å; L443-R447 PolarHBondContact O-N 3.48Å; P444-R447 PolarHBondContact O-N 2.95Å; R447-L450 PolarHBondContact O-N 2.86Å; R447-Q451 WeakPolarHBondContact O-CG 3.39Å; R447-Q451 PolarHBondContact O-N 3.44Å; R447-Q451 VanDerWaalsContact O-N 3.16Å; R447-V541 HydrophobicContact CG-CG1 4.2Å; R447-V541 HydrophobicContact CG-CG2 3.93Å
448M92.1Very high92.3Very high39 Ų3936.5 Ų36.519%0.19218%0.182CC..Hα-helixtrans-63.8-45.8175.7179.5-164.964.400111.1H415 N416 L417 P444 T445 L450 Q451 N452H415-M448 WeakPolarHBondContact O-CE 3.49Å; H415-M448 VanDerWaalsContact O-SD 3.37Å; N416-M448 HydrophobicContact CB-SD 3.7Å; L417-M448 HydrophobicContact CD2-CE 3.74Å; L417-M448 HydrophobicContact CG-CE 4.34Å; P444-M448 WeakPolarHBondContact O-CB 3.45Å; P444-M448 PolarHBondContact O-N 3.3Å; T445-M448 PolarHBondContact O-N 2.88Å; M448-L450 VanDerWaalsContact C-N 3.33Å; M448-L450 PolarHBondContact O-N 2.94Å; M448-Q451 PolarHBondContact O-N 3.03Å; M448-N452 PolarHBondContact O-N 3.24Å
449L92.6Very high92.4Very high7 Ų739.1 Ų39.14%0.03720%0.197CC..Hα-helixtrans-64.7-38.2178.7-73.5170.8000111.8I364 I367 L417 T445 A446 Q451 N452 C453 L537I364-L449 HydrophobicContact CB-CD1 4.25Å; I364-L449 HydrophobicContact CG1-CD1 3.74Å; I364-L449 HydrophobicContact CG2-CD1 3.92Å; I367-L449 HydrophobicContact CD1-CD1 4.26Å; I367-L449 HydrophobicContact CG2-CD2 4.21Å; L417-L449 HydrophobicContact CD2-CD2 4.49Å; T445-L449 HydrophobicContact CG2-CD1 3.87Å; T445-L449 HydrophobicContact CG2-CG 4.42Å; T445-L449 WeakPolarHBondContact O-CB 3.47Å; T445-L449 VanDerWaalsContact O-CG 3.29Å; T445-L449 WeakPolarHBondContact O-CG 3.45Å; T445-L449 PolarHBondContact O-N 3.33Å; A446-L449 PolarHBondContact O-N 2.88Å; L449-Q451 VanDerWaalsContact C-N 3.34Å; L449-Q451 PolarHBondContact O-N 3.38Å; L449-N452 CarbonylContact O-C 3.52Å; L449-N452 WeakPolarHBondContact O-CA 3.35Å; L449-N452 WeakPolarHBondContact O-CB 3.42Å; L449-N452 PolarHBondContact O-N 2.87Å; L449-N452 VanDerWaalsContact O-N 3.1Å; L449-C453 PolarHBondContact O-N 2.9Å; L449-C453 PolarHBondContact O-SG 2.8Å; L449-L537 HydrophobicContact CB-CD1 3.97Å
450L92.8Very high92.6Very high19 Ų1939.7 Ų39.710%0.09920%0.2CC..Hα-helixtrans-58.4-44.4173.7-17663.8000111.8A446 R447 M448 N452 C453 Y454 V534 L537 E538A446-L450 VanDerWaalsContact O-CB 3.31Å; A446-L450 WeakPolarHBondContact O-CB 3.46Å; A446-L450 PolarHBondContact O-N 2.91Å; R447-L450 PolarHBondContact O-N 2.86Å; M448-L450 VanDerWaalsContact C-N 3.33Å; M448-L450 PolarHBondContact O-N 2.94Å; L450-N452 VanDerWaalsContact C-N 3.32Å; L450-N452 PolarHBondContact O-N 2.84Å; L450-C453 WeakPolarHBondContact O-CB 3.34Å; L450-C453 PolarHBondContact O-N 2.86Å; L450-Y454 HydrophobicContact CD1-CE1 4.36Å; L450-Y454 HydrophobicContact CD1-CE2 4.09Å; L450-Y454 HydrophobicContact CD2-CE2 4.22Å; L450-Y454 HydrophobicContact CG-CD2 4.41Å; L450-Y454 HydrophobicContact CG-CE2 3.69Å; L450-Y454 WeakPolarHBondContact O-CD2 3.49Å; L450-Y454 PolarHBondContact O-N 3.28Å; L450-V534 HydrophobicContact CD1-CB 4.27Å; L450-V534 HydrophobicContact CD1-CG1 3.76Å; L450-V534 HydrophobicContact CD1-CG2 4.42Å; L450-L537 HydrophobicContact CD1-CB 4.25Å; L450-E538 HydrophobicContact CD1-CB 4.49Å
451Q92.6Very high92.7Very high84 Ų8439 Ų3939%0.39320%0.195SC..Hα-helixtrans-63.2-38.2174.3-701790.600112.6T2 R447 M448 L449 Y454 K455T2-Q451 HydrophobicContact CG2-CG 4.2Å; T2-Q451 VanDerWaalsContact CG2-NE2 3.3Å; R447-Q451 WeakPolarHBondContact O-CG 3.39Å; R447-Q451 PolarHBondContact O-N 3.44Å; R447-Q451 VanDerWaalsContact O-N 3.16Å; M448-Q451 PolarHBondContact O-N 3.03Å; L449-Q451 VanDerWaalsContact C-N 3.34Å; L449-Q451 PolarHBondContact O-N 3.38Å; Q451-Y454 PolarHBondContact O-N 3.07Å; Q451-K455 PolarHBondContact O-N 2.86Å; Q451-K455 VanDerWaalsContact O-N 3.08Å
452N92.9Very high92.8Very high68 Ų6839 Ų3936%0.36419%0.193SC..Hα-helixtrans-65.3-39.8174.5-69.4-24.3000111.3M448 L449 L450 K455 T456M448-N452 PolarHBondContact O-N 3.24Å; L449-N452 CarbonylContact O-C 3.52Å; L449-N452 WeakPolarHBondContact O-CA 3.35Å; L449-N452 WeakPolarHBondContact O-CB 3.42Å; L449-N452 PolarHBondContact O-N 2.87Å; L449-N452 VanDerWaalsContact O-N 3.1Å; L450-N452 VanDerWaalsContact C-N 3.32Å; L450-N452 PolarHBondContact O-N 2.84Å; N452-K455 WeakPolarHBondContact O-CB 3.38Å; N452-K455 PolarHBondContact O-N 3.15Å; N452-T456 PolarHBondContact O-N 3.12Å; N452-T456 PolarHBondContact O-OG1 3.32Å
453C93.9Very high93.1Very high14 Ų1443 Ų4310%0.09521%0.206CC..Hα-helixtrans-60-46.7174.5-66.70000111.3L449 L450 K455 T456 V457 V530 V534L449-C453 PolarHBondContact O-N 2.9Å; L449-C453 PolarHBondContact O-SG 2.8Å; L450-C453 WeakPolarHBondContact O-CB 3.34Å; L450-C453 PolarHBondContact O-N 2.86Å; C453-K455 VanDerWaalsContact C-N 3.29Å; C453-K455 PolarHBondContact O-N 3.15Å; C453-T456 WeakPolarHBondContact O-CB 2.98Å; C453-T456 PolarHBondContact O-N 3.08Å; C453-T456 VanDerWaalsContact O-N 3.09Å; C453-V457 WeakPolarHBondContact O-CG2 3.42Å; C453-V457 PolarHBondContact O-N 3.47Å; C453-V530 HydrophobicContact CB-CG1 4Å; C453-V534 HydrophobicContact CB-CG2 3.54Å
454Y93.5Very high93.2Very high11 Ų1142.3 Ų42.34%0.04320%0.201CC..Hα-helixtrans-60-39.7175.7-64.3-42000112.7E5 L8 L86 L450 Q451 A458 V534E5-Y454 HydrophobicContact CG-CD2 3.85Å; E5-Y454 HydrophobicContact CG-CE2 3.84Å; L8-Y454 HydrophobicContact CD2-CD1 3.76Å; L8-Y454 HydrophobicContact CD2-CG 4.34Å; L86-Y454 HydrophobicContact CD1-CE1 4.27Å; L450-Y454 HydrophobicContact CD1-CE1 4.36Å; L450-Y454 HydrophobicContact CD1-CE2 4.09Å; L450-Y454 HydrophobicContact CD2-CE2 4.22Å; L450-Y454 HydrophobicContact CG-CD2 4.41Å; L450-Y454 HydrophobicContact CG-CE2 3.69Å; L450-Y454 WeakPolarHBondContact O-CD2 3.49Å; L450-Y454 PolarHBondContact O-N 3.28Å; Q451-Y454 PolarHBondContact O-N 3.07Å; Y454-A458 WeakPolarHBondContact O-CB 3.34Å; Y454-A458 PolarHBondContact O-N 3.42Å; Y454-V534 HydrophobicContact CE1-CG1 3.65Å; Y454-V534 HydrophobicContact CE1-CG2 4.42Å
455K94.8Very high93.2Very high98 Ų9842.5 Ų42.543%0.42620%0.199SC..Hα-helixtrans-64.2-41.5174-176.5179.5177.6-177.30111.8Q4 Q451 N452 C453 A458 N459Q4-K455 HydrophobicContact CG-CB 4.38Å; Q451-K455 PolarHBondContact O-N 2.86Å; Q451-K455 VanDerWaalsContact O-N 3.08Å; N452-K455 WeakPolarHBondContact O-CB 3.38Å; N452-K455 PolarHBondContact O-N 3.15Å; C453-K455 VanDerWaalsContact C-N 3.29Å; C453-K455 PolarHBondContact O-N 3.15Å; K455-A458 PolarHBondContact O-N 2.94Å; K455-N459 PolarHBondContact O-N 3.23Å; K455-N459 PolarHBondContact O-ND2 2.88Å; K455-N459 PolarHBondContact O-OD1 3.03Å
456T94.3Very high93.3Very high64 Ų6446.8 Ų46.839%0.39322%0.218SC..Hα-helixtrans-62-49.4177.7-60.40000110.8N452 C453 A458 N459 L460 V530N452-T456 PolarHBondContact O-N 3.12Å; N452-T456 PolarHBondContact O-OG1 3.32Å; C453-T456 WeakPolarHBondContact O-CB 2.98Å; C453-T456 PolarHBondContact O-N 3.08Å; C453-T456 VanDerWaalsContact O-N 3.09Å; T456-A458 VanDerWaalsContact C-N 3.35Å; T456-A458 PolarHBondContact O-N 3.28Å; T456-N459 PolarHBondContact O-N 3.08Å; T456-L460 HydrophobicContact CG2-CD1 4.23Å; T456-L460 HydrophobicContact CG2-CG 4.48Å; T456-L460 WeakPolarHBondContact O-CG 3.47Å; T456-L460 PolarHBondContact O-N 2.79Å; T456-V530 HydrophobicContact CG2-CG2 4.28Å
457V94.4Very high93.2Very high0 Ų047.6 Ų47.60%022%0.222CC..Hα-helixtrans-58.6-47.2176.9177.20000110.7L8 L89 C453 N459 L460 I461 E527 V530L8-V457 HydrophobicContact CD1-CB 4.24Å; L8-V457 HydrophobicContact CD1-CG1 3.65Å; L8-V457 HydrophobicContact CD2-CB 4.32Å; L8-V457 HydrophobicContact CD2-CG1 4.25Å; L89-V457 HydrophobicContact CD1-CG1 3.89Å; L89-V457 HydrophobicContact CD2-CG1 4.15Å; L89-V457 HydrophobicContact CD2-CG2 4.28Å; C453-V457 WeakPolarHBondContact O-CG2 3.42Å; C453-V457 PolarHBondContact O-N 3.47Å; V457-N459 VanDerWaalsContact C-N 3.28Å; V457-N459 PolarHBondContact O-N 3.09Å; V457-L460 WeakPolarHBondContact O-CB 3.33Å; V457-L460 PolarHBondContact O-N 3.12Å; V457-L460 VanDerWaalsContact O-N 3.1Å; V457-I461 HydrophobicContact CG1-CD1 3.84Å; V457-I461 HydrophobicContact CG1-CG1 4.36Å; V457-I461 WeakPolarHBondContact O-CG1 3.38Å; V457-I461 PolarHBondContact O-N 3.31Å; V457-E527 HydrophobicContact CG1-CG 4.23Å; V457-V530 HydrophobicContact CG2-CB 4.05Å; V457-V530 HydrophobicContact CG2-CG1 3.54Å
458A94Very high93.1Very high0 Ų044.6 Ų44.60%022%0.217CC..Hα-helixtrans-57.5-41.4177.600000112.5L8 L11 Y454 K455 T456 E462L8-A458 HydrophobicContact CB-CB 4.45Å; L8-A458 HydrophobicContact CD1-CB 4.33Å; L11-A458 HydrophobicContact CD1-CB 3.83Å; L11-A458 WeakPolarHBondContact CD1-O 3.23Å; Y454-A458 WeakPolarHBondContact O-CB 3.34Å; Y454-A458 PolarHBondContact O-N 3.42Å; K455-A458 PolarHBondContact O-N 2.94Å; T456-A458 VanDerWaalsContact C-N 3.35Å; T456-A458 PolarHBondContact O-N 3.28Å; A458-E462 WeakPolarHBondContact O-CB 3.48Å; A458-E462 WeakPolarHBondContact O-CG 3.4Å; A458-E462 PolarHBondContact O-N 2.91Å
459N95.3Very high93.1Very high68 Ų6850.8 Ų50.836%0.36424%0.242SC..Hα-helixtrans-69.9-34.5177.7-65.7-14.9000112.6R7 K455 T456 V457 R463R7-N459 PolarHBondContact NH1-OD1 3.48Å; R7-N459 VanDerWaalsContact NH1-OD1 3.09Å; R7-N459 PolarHBondContact NH2-OD1 2.83Å; K455-N459 PolarHBondContact O-N 3.23Å; K455-N459 PolarHBondContact O-ND2 2.88Å; K455-N459 PolarHBondContact O-OD1 3.03Å; T456-N459 PolarHBondContact O-N 3.08Å; V457-N459 VanDerWaalsContact C-N 3.28Å; V457-N459 PolarHBondContact O-N 3.09Å; N459-R463 WeakPolarHBondContact O-CB 3.26Å; N459-R463 PolarHBondContact O-N 3.44Å
460L94.9Very high93.1Very high33 Ų3356.7 Ų56.717%0.17327%0.27CS..Hα-helixtrans-64.5-46.3174.9-70.1172.5000110.8T456 V457 R463 R464 L523 A526T456-L460 HydrophobicContact CG2-CD1 4.23Å; T456-L460 HydrophobicContact CG2-CG 4.48Å; T456-L460 WeakPolarHBondContact O-CG 3.47Å; T456-L460 PolarHBondContact O-N 2.79Å; V457-L460 WeakPolarHBondContact O-CB 3.33Å; V457-L460 PolarHBondContact O-N 3.12Å; V457-L460 VanDerWaalsContact O-N 3.1Å; L460-R463 PolarHBondContact O-N 3.29Å; L460-R464 PolarHBondContact O-N 3.05Å; L460-L523 HydrophobicContact CD2-CD2 3.75Å; L460-A526 HydrophobicContact CD1-CB 4.12Å
461I92.9Very high93.1Very high0 Ų057.1 Ų57.10%027%0.272CS..Hα-helixtrans-62.5-46.5176.8-63.1171.1000110.5L8 L11 L12 V457 R463 R464 L465L8-I461 HydrophobicContact CD1-CD1 3.73Å; L11-I461 HydrophobicContact CB-CG2 4.18Å; L12-I461 HydrophobicContact CD2-CD1 3.92Å; L12-I461 HydrophobicContact CG-CD1 4.5Å; V457-I461 HydrophobicContact CG1-CD1 3.84Å; V457-I461 HydrophobicContact CG1-CG1 4.36Å; V457-I461 WeakPolarHBondContact O-CG1 3.38Å; V457-I461 PolarHBondContact O-N 3.31Å; I461-R463 VanDerWaalsContact C-N 3.25Å; I461-R463 PolarHBondContact O-N 2.96Å; I461-R464 PolarHBondContact O-N 2.9Å; I461-R464 VanDerWaalsContact O-N 3.17Å; I461-L465 HydrophobicContact CG2-CD1 3.89Å; I461-L465 HydrophobicContact CG2-CG 4.18Å; I461-L465 WeakPolarHBondContact O-CB 3.33Å; I461-L465 WeakPolarHBondContact O-CG 3.19Å; I461-L465 PolarHBondContact O-N 3.23Å
462E93.1Very high93.1Very high74 Ų7459 Ų5935%0.34628%0.279SS..Hα-helixtrans-59-38.6176.3-79.7178.8-172.600112.1R7 L11 A458 F466R7-E462 IonicContact CZ-OE1 3.77Å; R7-E462 IonicContact CZ-OE2 2.89Å; R7-E462 IonicContact NE-OE1 3.6Å; R7-E462 PolarHBondContact NE-OE1 3.29Å; R7-E462 IonicContact NH2-OE1 3.99Å; R7-E462 PolarHBondContact NH2-OE1 3.23Å; R7-E462 IonicContact NH2-OE2 3.73Å; R7-E462 PolarHBondContact NH2-OE2 3.04Å; L11-E462 HydrophobicContact CD1-CG 3.8Å; L11-E462 HydrophobicContact CD2-CG 3.92Å; A458-E462 WeakPolarHBondContact O-CB 3.48Å; A458-E462 WeakPolarHBondContact O-CG 3.4Å; A458-E462 PolarHBondContact O-N 2.91Å; E462-F466 VanDerWaalsContact O-CB 3.28Å; E462-F466 WeakPolarHBondContact O-CB 3.21Å; E462-F466 PolarHBondContact O-N 2.92Å
463R94.5Very high93Very high122 Ų12266.2 Ų66.246%0.4630%0.301SS..Hα-helixtrans-66.8-43.7176.1-17761.4-173.6179.66.7111.7N459 L460 I461 F466 E467 L523N459-R463 WeakPolarHBondContact O-CB 3.26Å; N459-R463 PolarHBondContact O-N 3.44Å; L460-R463 PolarHBondContact O-N 3.29Å; I461-R463 VanDerWaalsContact C-N 3.25Å; I461-R463 PolarHBondContact O-N 2.96Å; R463-F466 PolarHBondContact O-N 3.5Å; R463-E467 IonicContact CZ-OE1 3.22Å; R463-E467 IonicContact NE-OE1 2.73Å; R463-E467 PolarHBondContact NE-OE1 3.3Å; R463-E467 IonicContact NH2-OE1 2.69Å; R463-E467 PolarHBondContact NH2-OE1 2.92Å; R463-E467 WeakPolarHBondContact O-CG 3.34Å; R463-E467 PolarHBondContact O-N 3.3Å; R463-L523 HydrophobicContact CB-CD1 4.48Å; R463-L523 HydrophobicContact CG-CD1 4.11Å; R463-L523 HydrophobicContact CG-CD2 4.47Å
464R93Very high92.8Very high22 Ų2266.5 Ų66.58%0.08330%0.302CS..Hα-helixtrans-57.9-53.3174.6177.8174.568-134.1-4.7110.7E15 L460 I461 F466 E467 T468 V520 L523 D524 E527E15-R464 IonicContact OE1-CZ 3.49Å; E15-R464 VanDerWaalsContact OE1-CZ 3.26Å; E15-R464 IonicContact OE1-NE 3.89Å; E15-R464 PolarHBondContact OE1-NE 2.91Å; E15-R464 IonicContact OE1-NH2 3.31Å; E15-R464 PolarHBondContact OE1-NH2 3.48Å; E15-R464 IonicContact OE2-CZ 3.19Å; E15-R464 IonicContact OE2-NH2 3.17Å; E15-R464 PolarHBondContact OE2-NH2 3.33Å; L460-R464 PolarHBondContact O-N 3.05Å; I461-R464 PolarHBondContact O-N 2.9Å; I461-R464 VanDerWaalsContact O-N 3.17Å; R464-F466 VanDerWaalsContact C-N 3.26Å; R464-F466 PolarHBondContact O-N 2.83Å; R464-E467 PolarHBondContact O-N 2.85Å; R464-E467 VanDerWaalsContact O-N 3.14Å; R464-T468 PolarHBondContact O-N 3.08Å; R464-T468 PolarHBondContact O-OG1 3.46Å; R464-V520 HydrophobicContact CG-CG1 4.41Å; R464-L523 HydrophobicContact CB-CD1 4.06Å; R464-D524 VanDerWaalsContact CD-OD1 3.26Å; R464-D524 WeakPolarHBondContact CD-OD1 3.35Å; R464-D524 IonicContact CZ-OD1 3.36Å; R464-D524 IonicContact NE-OD1 2.86Å; R464-D524 IonicContact NH1-OD1 3.56Å; R464-D524 PolarHBondContact NH1-OD1 2.96Å; R464-E527 IonicContact CZ-OE2 2.84Å; R464-E527 IonicContact NH1-OE2 3.27Å; R464-E527 PolarHBondContact NH1-OE2 3.01Å; R464-E527 IonicContact NH2-OE2 2.62Å; R464-E527 PolarHBondContact NH2-OE2 2.92Å
465L90.5Very high92.7Very high53 Ų5368.9 Ų68.928%0.27732%0.315SS..Hα-helixtrans-58.8-38.1179.5-68.5176000112.2L11 I461 K469L11-L465 HydrophobicContact CD2-CD1 4.41Å; I461-L465 HydrophobicContact CG2-CD1 3.89Å; I461-L465 HydrophobicContact CG2-CG 4.18Å; I461-L465 WeakPolarHBondContact O-CB 3.33Å; I461-L465 WeakPolarHBondContact O-CG 3.19Å; I461-L465 PolarHBondContact O-N 3.23Å; L465-K469 WeakPolarHBondContact O-CB 3.38Å; L465-K469 PolarHBondContact O-N 3.43Å
466F92.6Very high92.6Very high91 Ų9167.6 Ų67.640%0.39931%0.31SS..Hα-helixtrans-62.8-50.2174.8178.6-94.4000111.8E462 R463 R464 T468 K469 E470E462-F466 VanDerWaalsContact O-CB 3.28Å; E462-F466 WeakPolarHBondContact O-CB 3.21Å; E462-F466 PolarHBondContact O-N 2.92Å; R463-F466 PolarHBondContact O-N 3.5Å; R464-F466 VanDerWaalsContact C-N 3.26Å; R464-F466 PolarHBondContact O-N 2.83Å; F466-T468 PolarHBondContact O-N 2.8Å; F466-K469 PolarHBondContact O-N 2.78Å; F466-E470 HydrophobicContact CD1-CG 4.46Å; F466-E470 HydrophobicContact CE1-CG 4.01Å; F466-E470 VanDerWaalsContact CE1-OE2 3.3Å; F466-E470 WeakPolarHBondContact CE1-OE2 3.31Å; F466-E470 HydrophobicContact CE2-CG 4.28Å; F466-E470 HydrophobicContact CZ-CG 3.92Å; F466-E470 WeakPolarHBondContact CZ-OE1 3.47Å; F466-E470 PolarHBondContact O-N 2.98Å
467E90.9Very high92.4Very high16 Ų1667.9 Ų67.98%0.07531%0.306CS..Hα-helixtrans-64.4-39.1-179.8-70.2-174.2-177.400112.6R463 R464 K469 N471 L516 H519R463-E467 IonicContact CZ-OE1 3.22Å; R463-E467 IonicContact NE-OE1 2.73Å; R463-E467 PolarHBondContact NE-OE1 3.3Å; R463-E467 IonicContact NH2-OE1 2.69Å; R463-E467 PolarHBondContact NH2-OE1 2.92Å; R463-E467 WeakPolarHBondContact O-CG 3.34Å; R463-E467 PolarHBondContact O-N 3.3Å; R464-E467 PolarHBondContact O-N 2.85Å; R464-E467 VanDerWaalsContact O-N 3.14Å; E467-K469 VanDerWaalsContact C-N 3.35Å; E467-N471 PolarHBondContact O-N 3.39Å; E467-N471 PolarHBondContact O-ND2 3.02Å; E467-L516 HydrophobicContact CB-CD1 4.03Å; E467-H519 WeakPolarHBondContact OE2-CB 3.32Å; E467-H519 IonicContact OE2-ND1 3.02Å
468T90.1Very high92.2Very high54 Ų5468.3 Ų68.333%0.33131%0.309SS..Hα-helixtrans-65.6-37.9173.8-53.30000111.6R464 F466 K472 L475R464-T468 PolarHBondContact O-N 3.08Å; R464-T468 PolarHBondContact O-OG1 3.46Å; F466-T468 PolarHBondContact O-N 2.8Å; T468-K472 WeakPolarHBondContact O-CA 3.35Å; T468-K472 PolarHBondContact O-N 2.92Å; T468-K472 VanDerWaalsContact O-N 3.09Å; T468-L475 HydrophobicContact CG2-CD1 3.74Å
469K91.2Very high92.1Very high168 Ų16874.8 Ų74.873%0.7334%0.34SS*.Hα-helixtrans-70.7-42.5-179.7-175.4176.9-179.6177.30112.5L465 F466 E467 N471 K472L465-K469 WeakPolarHBondContact O-CB 3.38Å; L465-K469 PolarHBondContact O-N 3.43Å; F466-K469 PolarHBondContact O-N 2.78Å; E467-K469 VanDerWaalsContact C-N 3.35Å; K469-N471 VanDerWaalsContact C-N 3.32Å; K469-N471 PolarHBondContact O-N 2.94Å; K469-K472 WeakPolarHBondContact O-CB 3.35Å; K469-K472 PolarHBondContact O-N 3.28Å
470E92.8Very high91.8Very high131 Ų13179.3 Ų79.361%0.61235%0.351SS*.Hα-helixtrans-62.4-41.1176.6-72.1-161.1139.400111.6F466 K472F466-E470 HydrophobicContact CD1-CG 4.46Å; F466-E470 HydrophobicContact CE1-CG 4.01Å; F466-E470 VanDerWaalsContact CE1-OE2 3.3Å; F466-E470 WeakPolarHBondContact CE1-OE2 3.31Å; F466-E470 HydrophobicContact CE2-CG 4.28Å; F466-E470 HydrophobicContact CZ-CG 3.92Å; F466-E470 WeakPolarHBondContact CZ-OE1 3.47Å; F466-E470 PolarHBondContact O-N 2.98Å; E470-K472 VanDerWaalsContact C-N 3.35Å; E470-K472 PolarHBondContact O-N 3.46Å
471N92.4Very high91.4Very high28 Ų2878.1 Ų78.115%0.1535%0.345CS..THydrogen-bonded Turntrans-92.113.5-178.5-62.2-65.1000114.1E467 K469 R473 L474 L475 Q512 L516E467-N471 PolarHBondContact O-N 3.39Å; E467-N471 PolarHBondContact O-ND2 3.02Å; K469-N471 VanDerWaalsContact C-N 3.32Å; K469-N471 PolarHBondContact O-N 2.94Å; N471-R473 VanDerWaalsContact C-N 3.29Å; N471-R473 PolarHBondContact O-N 3Å; N471-L474 WeakPolarHBondContact O-CB 3.33Å; N471-L474 PolarHBondContact O-N 3.36Å; N471-L475 PolarHBondContact O-N 3.49Å; N471-Q512 PolarHBondContact OD1-NE2 3.41Å; N471-L516 HydrophobicContact CB-CD2 3.62Å
472K92.6Very high91.2Very high123 Ų12383 Ų8354%0.53537%0.368SS..Hα-helixtrans-53.6-42.2-175-178.8175.5175.81750113.5T468 K469 E470 L474 L475 E476T468-K472 WeakPolarHBondContact O-CA 3.35Å; T468-K472 PolarHBondContact O-N 2.92Å; T468-K472 VanDerWaalsContact O-N 3.09Å; K469-K472 WeakPolarHBondContact O-CB 3.35Å; K469-K472 PolarHBondContact O-N 3.28Å; E470-K472 VanDerWaalsContact C-N 3.35Å; E470-K472 PolarHBondContact O-N 3.46Å; K472-L474 VanDerWaalsContact C-N 3.32Å; K472-L474 PolarHBondContact O-N 3.31Å; K472-L475 PolarHBondContact O-N 3.38Å; K472-E476 WeakPolarHBondContact CE-OE1 3.46Å; K472-E476 IonicContact NZ-OE1 3.57Å; K472-E476 WeakPolarHBondContact O-CG 3.5Å; K472-E476 PolarHBondContact O-N 3.23Å
473R91.2Very high91Very high221 Ų22182.3 Ų82.383%0.83438%0.375SS*.Hα-helixtrans-62.5-39.9179.1-68.4-178.4178.3176.6-0.3112.3N471 K477N471-R473 VanDerWaalsContact C-N 3.29Å; N471-R473 PolarHBondContact O-N 3Å; R473-K477 WeakPolarHBondContact O-CB 3.32Å; R473-K477 PolarHBondContact O-N 3.02Å
474L90.6Very high90.6Very high20 Ų2079.9 Ų79.911%0.10537%0.37CS..Hα-helixtrans-71.3-40.7-179.8-178.759000110.9N471 K472 K477 S478 E509 Q512 L513N471-L474 WeakPolarHBondContact O-CB 3.33Å; N471-L474 PolarHBondContact O-N 3.36Å; K472-L474 VanDerWaalsContact C-N 3.32Å; K472-L474 PolarHBondContact O-N 3.31Å; L474-K477 PolarHBondContact O-N 2.97Å; L474-S478 PolarHBondContact O-N 3.34Å; L474-E509 HydrophobicContact CD1-CB 3.89Å; L474-E509 HydrophobicContact CD1-CG 4.08Å; L474-Q512 HydrophobicContact CD2-CB 4.14Å; L474-Q512 HydrophobicContact CD2-CG 3.9Å; L474-L513 HydrophobicContact CD1-CD1 4.25Å; L474-L513 HydrophobicContact CD1-CG 4.22Å; L474-L513 HydrophobicContact CD2-CD2 3.96Å; L474-L513 HydrophobicContact CD2-CG 3.85Å; L474-L513 HydrophobicContact CG-CD1 4.31Å; L474-L513 HydrophobicContact CG-CD2 3.73Å; L474-L513 HydrophobicContact CG-CG 3.82Å
475L90.8Very high90.3Very high60 Ų6080.4 Ų80.431%0.31438%0.375SS..Hα-helixtrans-62.5-45.3173.8-69171.1000112.1T468 N471 K472 K477 S478 Q479 L513 L516T468-L475 HydrophobicContact CG2-CD1 3.74Å; N471-L475 PolarHBondContact O-N 3.49Å; K472-L475 PolarHBondContact O-N 3.38Å; L475-K477 VanDerWaalsContact C-N 3.3Å; L475-K477 PolarHBondContact O-N 2.69Å; L475-S478 PolarHBondContact O-N 3.36Å; L475-Q479 WeakPolarHBondContact O-CB 3.38Å; L475-Q479 PolarHBondContact O-N 3.05Å; L475-L513 HydrophobicContact CD2-CD2 4.12Å; L475-L516 HydrophobicContact CD1-CD2 4.35Å; L475-L516 HydrophobicContact CD2-CD2 4.02Å; L475-L516 HydrophobicContact CG-CD2 4.23Å
476E92.6Very high90Very high71 Ų7180.5 Ų80.533%0.33238%0.383SS..Hα-helixtrans-62.2-37.5175.5-74.8179.9-164.500112.2K472 R480K472-E476 WeakPolarHBondContact CE-OE1 3.46Å; K472-E476 IonicContact NZ-OE1 3.57Å; K472-E476 WeakPolarHBondContact O-CG 3.5Å; K472-E476 PolarHBondContact O-N 3.23Å; E476-R480 VanDerWaalsContact O-CG 3.27Å; E476-R480 WeakPolarHBondContact O-CG 3.35Å; E476-R480 PolarHBondContact O-N 3.03Å; E476-R480 VanDerWaalsContact O-N 3.11Å; E476-R480 IonicContact OE2-NH2 3.58Å
477K90.9Very high89.7Confident70 Ų7079.2 Ų79.230%0.30439%0.385SS..Hα-helixtrans-64.5-48.7174.5-174-175.4176-169.60110.8R473 L474 L475 Q479 R480 I481 M504 E509R473-K477 WeakPolarHBondContact O-CB 3.32Å; R473-K477 PolarHBondContact O-N 3.02Å; L474-K477 PolarHBondContact O-N 2.97Å; L475-K477 VanDerWaalsContact C-N 3.3Å; L475-K477 PolarHBondContact O-N 2.69Å; K477-Q479 PolarHBondContact O-N 2.91Å; K477-R480 PolarHBondContact O-N 3.14Å; K477-I481 HydrophobicContact CG-CD1 3.97Å; K477-I481 WeakPolarHBondContact O-CG1 3.47Å; K477-I481 PolarHBondContact O-N 3.13Å; K477-I481 VanDerWaalsContact O-N 3.13Å; K477-M504 VanDerWaalsContact CE-O 3.32Å; K477-M504 WeakPolarHBondContact CE-O 3.43Å; K477-M504 PolarHBondContact NZ-O 3Å; K477-E509 VanDerWaalsContact NZ-CD 3.31Å; K477-E509 IonicContact NZ-OE1 2.65Å; K477-E509 PolarHBondContact NZ-OE1 2.94Å; K477-E509 VanDerWaalsContact NZ-OE1 3.1Å; K477-E509 IonicContact NZ-OE2 3.32Å; K477-E509 PolarHBondContact NZ-OE2 3.45Å
478S90.1Very high89.4Confident10 Ų1080.4 Ų80.47%0.0739%0.392CS..Hα-helixtrans-57.6-47.8176.9-164.50000111.6L474 L475 R480 I481 E482L474-S478 PolarHBondContact O-N 3.34Å; L475-S478 PolarHBondContact O-N 3.36Å; S478-R480 PolarHBondContact O-N 2.59Å; S478-I481 PolarHBondContact O-N 2.85Å; S478-E482 WeakPolarHBondContact O-CG 3.29Å; S478-E482 PolarHBondContact O-N 3.25Å; S478-E482 PolarHBondContact OG-OE1 3.26Å
479Q90.4Very high89Confident136 Ų13684 Ų8464%0.63641%0.405SS*.Hα-helixtrans-64-38.3-178.6-170.5-179.915.400112.6L475 K477 A483L475-Q479 WeakPolarHBondContact O-CB 3.38Å; L475-Q479 PolarHBondContact O-N 3.05Å; K477-Q479 PolarHBondContact O-N 2.91Å; Q479-A483 WeakPolarHBondContact O-CB 3.4Å; Q479-A483 PolarHBondContact O-N 2.89Å
480R88.9Confident88.5Confident162 Ų16279.9 Ų79.961%0.61140%0.402SS*.Hα-helixtrans-64.8-40.9174.9-73.3177.3-152.5-171.37.4111.7E476 K477 S478 A483 I484E476-R480 VanDerWaalsContact O-CG 3.27Å; E476-R480 WeakPolarHBondContact O-CG 3.35Å; E476-R480 PolarHBondContact O-N 3.03Å; E476-R480 VanDerWaalsContact O-N 3.11Å; E476-R480 IonicContact OE2-NH2 3.58Å; K477-R480 PolarHBondContact O-N 3.14Å; S478-R480 PolarHBondContact O-N 2.59Å; R480-A483 PolarHBondContact O-N 2.98Å; R480-I484 VanDerWaalsContact O-CG1 3.27Å; R480-I484 WeakPolarHBondContact O-CG1 3.46Å; R480-I484 PolarHBondContact O-N 3.26Å
481I87.4Confident88Confident9 Ų978.5 Ų78.55%0.04641%0.407CS..Hα-helixtrans-68-44.9179.7-67.9168.8000110.2K477 S478 A483 I484 L485 V501 M504 I505K477-I481 HydrophobicContact CG-CD1 3.97Å; K477-I481 WeakPolarHBondContact O-CG1 3.47Å; K477-I481 PolarHBondContact O-N 3.13Å; K477-I481 VanDerWaalsContact O-N 3.13Å; S478-I481 PolarHBondContact O-N 2.85Å; I481-A483 VanDerWaalsContact C-N 3.3Å; I481-A483 PolarHBondContact O-N 3.46Å; I481-I484 PolarHBondContact O-N 3.42Å; I481-I484 VanDerWaalsContact O-N 3.15Å; I481-L485 HydrophobicContact CG2-CD1 4.22Å; I481-L485 WeakPolarHBondContact O-CG 3.5Å; I481-L485 PolarHBondContact O-N 3.17Å; I481-V501 HydrophobicContact CG2-CG1 3.86Å; I481-M504 HydrophobicContact CD1-CB 3.9Å; I481-I505 HydrophobicContact CD1-CD1 3.98Å; I481-I505 HydrophobicContact CD1-CG1 3.35Å; I481-I505 HydrophobicContact CG2-CD1 4.29Å; I481-I505 HydrophobicContact CG2-CG1 4.4Å
482E88.1Confident87.3Confident103 Ų10380.3 Ų80.348%0.48143%0.432SS..Hα-helixtrans-58.5-40.2173.3-73.8170.9-165.200112S478 L485 A486S478-E482 WeakPolarHBondContact O-CG 3.29Å; S478-E482 PolarHBondContact O-N 3.25Å; S478-E482 PolarHBondContact OG-OE1 3.26Å; E482-L485 PolarHBondContact O-N 2.89Å; E482-A486 WeakPolarHBondContact O-CB 3.46Å; E482-A486 PolarHBondContact O-N 3.46Å
483A88.8Confident86.6Confident59 Ų5975.7 Ų75.749%0.48842%0.417SS..Hα-helixtrans-65.4-39.1175.700000112.7Q479 R480 I481 S487Q479-A483 WeakPolarHBondContact O-CB 3.4Å; Q479-A483 PolarHBondContact O-N 2.89Å; R480-A483 PolarHBondContact O-N 2.98Å; I481-A483 VanDerWaalsContact C-N 3.3Å; I481-A483 PolarHBondContact O-N 3.46Å; A483-S487 PolarHBondContact O-N 3.25Å; A483-S487 PolarHBondContact O-OG 3.03Å
484I86.9Confident86Confident70 Ų7071.5 Ų71.536%0.35941%0.407SS..Hα-helixtrans-65.5-47.2174.7-66.8162.8000109.8R480 I481 A486 S487 L488 V501R480-I484 VanDerWaalsContact O-CG1 3.27Å; R480-I484 WeakPolarHBondContact O-CG1 3.46Å; R480-I484 PolarHBondContact O-N 3.26Å; I481-I484 PolarHBondContact O-N 3.42Å; I481-I484 VanDerWaalsContact O-N 3.15Å; I484-A486 VanDerWaalsContact C-N 3.34Å; I484-A486 PolarHBondContact O-N 3.32Å; I484-S487 PolarHBondContact O-N 3.47Å; I484-S487 VanDerWaalsContact O-N 3.12Å; I484-S487 PolarHBondContact O-OG 3.37Å; I484-L488 HydrophobicContact CG2-CD1 3.78Å; I484-L488 HydrophobicContact CG2-CG 4.26Å; I484-L488 WeakPolarHBondContact O-CG 3.47Å; I484-L488 PolarHBondContact O-N 3.09Å; I484-V501 HydrophobicContact CB-CG1 4.37Å; I484-V501 HydrophobicContact CG2-CG1 3.99Å; I484-V501 HydrophobicContact CG2-CG2 4.24Å
485L85.4Confident85.4Confident34 Ų3474.9 Ų74.918%0.17843%0.43CS..Hα-helixtrans-57.5-45.5176.6-72.6173.4000111.7I481 E482 S487 L488 Q489 L498 V501I481-L485 HydrophobicContact CG2-CD1 4.22Å; I481-L485 WeakPolarHBondContact O-CG 3.5Å; I481-L485 PolarHBondContact O-N 3.17Å; E482-L485 PolarHBondContact O-N 2.89Å; L485-S487 VanDerWaalsContact C-N 3.32Å; L485-S487 PolarHBondContact O-N 3.13Å; L485-L488 PolarHBondContact O-N 3.27Å; L485-Q489 WeakPolarHBondContact O-CB 3.2Å; L485-Q489 VanDerWaalsContact O-CG 3.28Å; L485-Q489 WeakPolarHBondContact O-CG 3.5Å; L485-Q489 PolarHBondContact O-N 3.13Å; L485-L498 HydrophobicContact CD2-CB 4.4Å; L485-L498 HydrophobicContact CD2-CD2 3.81Å; L485-V501 HydrophobicContact CD2-CB 3.81Å; L485-V501 HydrophobicContact CD2-CG1 3.63Å; L485-V501 HydrophobicContact CG-CB 4.47Å; L485-V501 HydrophobicContact CG-CG1 3.74Å
486A85.8Confident84.8Confident54 Ų5479 Ų7945%0.44645%0.448SS..Hα-helixtrans-61.3-39.9176.300000112.2E482 I484 A490E482-A486 WeakPolarHBondContact O-CB 3.46Å; E482-A486 PolarHBondContact O-N 3.46Å; I484-A486 VanDerWaalsContact C-N 3.34Å; I484-A486 PolarHBondContact O-N 3.32Å; A486-A490 WeakPolarHBondContact O-CB 3.33Å; A486-A490 PolarHBondContact O-N 3.39Å
487S86.4Confident84Confident64 Ų6480.3 Ų80.345%0.44845%0.454SS..Hα-helixtrans-69.2-35.4177.270.80000113.5A483 I484 L485 S491A483-S487 PolarHBondContact O-N 3.25Å; A483-S487 PolarHBondContact O-OG 3.03Å; I484-S487 PolarHBondContact O-N 3.47Å; I484-S487 VanDerWaalsContact O-N 3.12Å; I484-S487 PolarHBondContact O-OG 3.37Å; L485-S487 VanDerWaalsContact C-N 3.32Å; L485-S487 PolarHBondContact O-N 3.13Å; S487-S491 PolarHBondContact O-N 3.09Å; S487-S491 VanDerWaalsContact O-N 3.17Å; S487-S491 PolarHBondContact O-OG 2.92Å
488L83.9Confident83.4Confident41 Ų4178.9 Ų78.922%0.21545%0.449CS..Hα-helixtrans-72.5-40.7176.7-72.4172.5000111.5I484 L485 S491 G492 A493 L498 V501I484-L488 HydrophobicContact CG2-CD1 3.78Å; I484-L488 HydrophobicContact CG2-CG 4.26Å; I484-L488 WeakPolarHBondContact O-CG 3.47Å; I484-L488 PolarHBondContact O-N 3.09Å; L485-L488 PolarHBondContact O-N 3.27Å; L488-S491 CarbonylContact O-C 3.6Å; L488-S491 PolarHBondContact O-N 3.17Å; L488-S491 VanDerWaalsContact O-N 3.15Å; L488-G492 PolarHBondContact O-N 3.31Å; L488-A493 HydrophobicContact CB-CB 4Å; L488-A493 HydrophobicContact CD2-CB 4.2Å; L488-A493 WeakPolarHBondContact O-CB 3.45Å; L488-A493 PolarHBondContact O-N 2.65Å; L488-A493 VanDerWaalsContact O-N 3.09Å; L488-L498 HydrophobicContact CB-CD2 3.92Å; L488-V501 HydrophobicContact CD1-CG2 3.81Å
489Q82.1Confident82.9Confident129 Ų12981.1 Ų81.160%0.60347%0.465SS*.Hα-helixtrans-61.8-42.6173.6-75.4176.1-11.800111.6L485 S491 G492 L498L485-Q489 WeakPolarHBondContact O-CB 3.2Å; L485-Q489 VanDerWaalsContact O-CG 3.28Å; L485-Q489 WeakPolarHBondContact O-CG 3.5Å; L485-Q489 PolarHBondContact O-N 3.13Å; Q489-S491 PolarHBondContact O-N 2.67Å; Q489-G492 PolarHBondContact O-N 3.49Å; Q489-G492 VanDerWaalsContact O-N 3.16Å; Q489-L498 HydrophobicContact CG-CD1 4.32Å; Q489-L498 HydrophobicContact CG-CD2 3.99Å
490A80.9Confident82.5Confident82 Ų8280.8 Ų80.868%0.67846%0.463SS*.Hα-helixtrans-64.9-27.1175.300000113.1A486 G492A486-A490 WeakPolarHBondContact O-CB 3.33Å; A486-A490 PolarHBondContact O-N 3.39Å; A490-G492 VanDerWaalsContact C-N 3.33Å
491S82.5Confident82.1Confident102 Ų10274 Ų7471%0.71344%0.44SS*.THydrogen-bonded Turntrans-86.4-2.3177.5-53.20000113.3S487 L488 Q489S487-S491 PolarHBondContact O-N 3.09Å; S487-S491 VanDerWaalsContact O-N 3.17Å; S487-S491 PolarHBondContact O-OG 2.92Å; L488-S491 CarbonylContact O-C 3.6Å; L488-S491 PolarHBondContact O-N 3.17Å; L488-S491 VanDerWaalsContact O-N 3.15Å; Q489-S491 PolarHBondContact O-N 2.67Å
492G77.6Confident81.7Confident66 Ų6678.5 Ų78.568%0.6846%0.461SS*.THydrogen-bonded Turntrans69.632.9-178.600000114.1L488 Q489 A490L488-G492 PolarHBondContact O-N 3.31Å; Q489-G492 PolarHBondContact O-N 3.49Å; Q489-G492 VanDerWaalsContact O-N 3.16Å; A490-G492 VanDerWaalsContact C-N 3.33Å
493A77.1Confident81.4Confident26 Ų2680.8 Ų80.822%0.21547%0.472CS..  trans-62.9149.7-177.800000113.6L488L488-A493 HydrophobicContact CB-CB 4Å; L488-A493 HydrophobicContact CD2-CB 4.2Å; L488-A493 WeakPolarHBondContact O-CB 3.45Å; L488-A493 PolarHBondContact O-N 2.65Å; L488-A493 VanDerWaalsContact O-N 3.09Å
494E79.3Confident81Confident133 Ų13382.9 Ų82.962%0.62147%0.472SS*.  trans-60.7146.1176.3-70.5-68.2158.500111.7E496 Q497E494-E496 PolarHBondContact O-N 3.3Å; E494-E496 VanDerWaalsContact O-N 3.11Å; E494-Q497 PolarHBondContact O-N 2.84Å
495P77.3Confident80.9Confident91 Ų9180.5 Ų80.559%0.59146%0.46SS*.Hα-helixtrans-62.1-23.6-175.225.9-34.2000113.7L498 S499P495-L498 PolarHBondContact O-N 2.64Å; P495-S499 PolarHBondContact O-N 3.29Å; P495-S499 VanDerWaalsContact O-N 3.14Å
496E78.1Confident81.1Confident147 Ų14781.7 Ų81.769%0.68747%0.471SS*.Hα-helixtrans-65.8-38.4175.8-63.6-178.7169.200112E494 L498 S499 E500E494-E496 PolarHBondContact O-N 3.3Å; E494-E496 VanDerWaalsContact O-N 3.11Å; E496-L498 VanDerWaalsContact C-N 3.3Å; E496-L498 PolarHBondContact O-N 3.33Å; E496-S499 PolarHBondContact O-N 3.41Å; E496-S499 PolarHBondContact O-OG 3.32Å; E496-E500 WeakPolarHBondContact O-CG 3.45Å; E496-E500 PolarHBondContact O-N 2.93Å; E496-E500 VanDerWaalsContact O-N 3.12Å
497Q76.7Confident81.2Confident98 Ų9882.8 Ų82.846%0.45848%0.48SS..Hα-helixtrans-69.8-31.4177.4-64.3-179-20.100111.6E494 V501E494-Q497 PolarHBondContact O-N 2.84Å; Q497-V501 WeakPolarHBondContact O-CG2 3.2Å; Q497-V501 PolarHBondContact O-N 2.97Å
498L78Confident81.4Confident40 Ų4083.5 Ų83.521%0.20948%0.483CS..Hα-helixtrans-69.3-41.2175.3-64.6173.1000111.4L485 L488 Q489 P495 E496 V501 E502L485-L498 HydrophobicContact CD2-CB 4.4Å; L485-L498 HydrophobicContact CD2-CD2 3.81Å; L488-L498 HydrophobicContact CB-CD2 3.92Å; Q489-L498 HydrophobicContact CG-CD1 4.32Å; Q489-L498 HydrophobicContact CG-CD2 3.99Å; P495-L498 PolarHBondContact O-N 2.64Å; E496-L498 VanDerWaalsContact C-N 3.3Å; E496-L498 PolarHBondContact O-N 3.33Å; L498-V501 PolarHBondContact O-N 3.37Å; L498-E502 PolarHBondContact O-N 3.48Å
499S79.3Confident81.7Confident57 Ų5784.1 Ų84.140%0.39949%0.485SS..Hα-helixtrans-66.7-39.1176.959.90000112.6P495 E496 V501 E502 E503P495-S499 PolarHBondContact O-N 3.29Å; P495-S499 VanDerWaalsContact O-N 3.14Å; E496-S499 PolarHBondContact O-N 3.41Å; E496-S499 PolarHBondContact O-OG 3.32Å; S499-V501 VanDerWaalsContact C-N 3.31Å; S499-V501 PolarHBondContact O-N 2.95Å; S499-E502 PolarHBondContact O-N 3.29Å; S499-E502 VanDerWaalsContact O-N 3.14Å; S499-E503 WeakPolarHBondContact O-CG 3.33Å; S499-E503 PolarHBondContact O-N 2.84Å
500E81.9Confident82Confident129 Ų12980.9 Ų80.960%0.60347%0.469SS*.Hα-helixtrans-60.2-41.5176.5-74.1178.5179.600112.1E496 E503 M504E496-E500 WeakPolarHBondContact O-CG 3.45Å; E496-E500 PolarHBondContact O-N 2.93Å; E496-E500 VanDerWaalsContact O-N 3.12Å; E500-E503 PolarHBondContact O-N 3.42Å; E500-M504 PolarHBondContact O-N 2.95Å
501V79.4Confident82.5Confident19 Ų1983.4 Ų83.412%0.11547%0.467CS..Hα-helixtrans-69.9-35.1176.7174.60000111.2I481 I484 L485 L488 Q497 L498 S499 E503 M504I481-V501 HydrophobicContact CG2-CG1 3.86Å; I484-V501 HydrophobicContact CB-CG1 4.37Å; I484-V501 HydrophobicContact CG2-CG1 3.99Å; I484-V501 HydrophobicContact CG2-CG2 4.24Å; L485-V501 HydrophobicContact CD2-CB 3.81Å; L485-V501 HydrophobicContact CD2-CG1 3.63Å; L485-V501 HydrophobicContact CG-CB 4.47Å; L485-V501 HydrophobicContact CG-CG1 3.74Å; L488-V501 HydrophobicContact CD1-CG2 3.81Å; Q497-V501 WeakPolarHBondContact O-CG2 3.2Å; Q497-V501 PolarHBondContact O-N 2.97Å; L498-V501 PolarHBondContact O-N 3.37Å; S499-V501 VanDerWaalsContact C-N 3.31Å; S499-V501 PolarHBondContact O-N 2.95Å; V501-E503 VanDerWaalsContact C-N 3.31Å; V501-E503 PolarHBondContact O-N 3.42Å; V501-M504 HydrophobicContact CG1-SD 4.39Å; V501-M504 VanDerWaalsContact O-CB 3.29Å; V501-M504 WeakPolarHBondContact O-CB 3.42Å; V501-M504 WeakPolarHBondContact O-CG 3.32Å; V501-M504 PolarHBondContact O-N 3.31Å
502E79.3Confident82.9Confident105 Ų10583.2 Ų83.249%0.49146%0.455SS..Hα-helixtrans-69.7-28.3175.8-147.6-158.7132.300113.2L498 S499 M504 K510L498-E502 PolarHBondContact O-N 3.48Å; S499-E502 PolarHBondContact O-N 3.29Å; S499-E502 VanDerWaalsContact O-N 3.14Å; E502-M504 VanDerWaalsContact C-N 3.28Å; E502-K510 VanDerWaalsContact O-CE 3.28Å; E502-K510 WeakPolarHBondContact O-CE 3.46Å; E502-K510 PolarHBondContact O-NZ 2.92Å; E502-K510 IonicContact OE1-NZ 2.79Å; E502-K510 PolarHBondContact OE1-NZ 2.86Å
503E83Confident83.5Confident151 Ų15180.4 Ų80.471%0.70642%0.424SS*.Hα-helixtrans-76.5-11.8174.7-74.4-174.8176.800113.3S499 E500 V501 I505S499-E503 WeakPolarHBondContact O-CG 3.33Å; S499-E503 PolarHBondContact O-N 2.84Å; E500-E503 PolarHBondContact O-N 3.42Å; V501-E503 VanDerWaalsContact C-N 3.31Å; V501-E503 PolarHBondContact O-N 3.42Å; E503-I505 PolarHBondContact O-N 2.85Å
504M80.8Confident84.2Confident103 Ų10383.8 Ų83.851%0.50744%0.439SS..THydrogen-bonded Turntrans-63-19.5171.2-63.3-177.367.400112.9K477 I481 E500 V501 E502K477-M504 VanDerWaalsContact CE-O 3.32Å; K477-M504 WeakPolarHBondContact CE-O 3.43Å; K477-M504 PolarHBondContact NZ-O 3Å; I481-M504 HydrophobicContact CD1-CB 3.9Å; E500-M504 PolarHBondContact O-N 2.95Å; V501-M504 HydrophobicContact CG1-SD 4.39Å; V501-M504 VanDerWaalsContact O-CB 3.29Å; V501-M504 WeakPolarHBondContact O-CB 3.42Å; V501-M504 WeakPolarHBondContact O-CG 3.32Å; V501-M504 PolarHBondContact O-N 3.31Å; E502-M504 VanDerWaalsContact C-N 3.28Å
505I84.4Confident84.9Confident20 Ų2080.8 Ų80.810%0.10343%0.429CS..SBendtrans-93.8119.2168.9-51-178.3000108.6I481 E503 E509 K510 L513I481-I505 HydrophobicContact CD1-CD1 3.98Å; I481-I505 HydrophobicContact CD1-CG1 3.35Å; I481-I505 HydrophobicContact CG2-CD1 4.29Å; I481-I505 HydrophobicContact CG2-CG1 4.4Å; E503-I505 PolarHBondContact O-N 2.85Å; I505-E509 HydrophobicContact CG2-CB 3.7Å; I505-K510 HydrophobicContact CB-CG 4Å; I505-K510 HydrophobicContact CG2-CB 4.44Å; I505-K510 HydrophobicContact CG2-CG 3.46Å; I505-K510 VanDerWaalsContact CG2-CG 3.46Å; I505-L513 HydrophobicContact CG2-CD1 4.48Å
506S89.3Confident85.6Confident59 Ų5977 Ų7741%0.41340%0.404SS..  trans-64.3144.6177.5-167.10000110.7P508 E509 K510S506-P508 WeakPolarHBondContact OG-CD 3.43Å; S506-P508 VanDerWaalsContact OG-CG 3.31Å; S506-P508 WeakPolarHBondContact OG-CG 3.37Å; S506-E509 PolarHBondContact N-OE2 2.94Å; S506-E509 WeakPolarHBondContact O-CA 3.27Å; S506-E509 VanDerWaalsContact O-CB 3.32Å; S506-E509 WeakPolarHBondContact O-CB 3.36Å; S506-E509 PolarHBondContact O-N 2.85Å; S506-K510 PolarHBondContact O-N 3.32Å
507A88.6Confident86.3Confident76 Ų7674.9 Ų74.963%0.62839%0.392SS*.Hα-helixtrans-48.2-44.917500000114.8E509 K510 Q511A507-E509 VanDerWaalsContact C-N 3.34Å; A507-E509 PolarHBondContact O-N 3.29Å; A507-K510 PolarHBondContact O-N 3.26Å; A507-Q511 PolarHBondContact O-N 3.04Å
508P89.8Confident87.2Confident80 Ų8074.3 Ų74.352%0.51939%0.392SS..Hα-helixtrans-63-34.7172.523.6-37.3000114S506 Q511 Q512S506-P508 WeakPolarHBondContact OG-CD 3.43Å; S506-P508 VanDerWaalsContact OG-CG 3.31Å; S506-P508 WeakPolarHBondContact OG-CG 3.37Å; P508-Q511 PolarHBondContact O-N 3.16Å; P508-Q512 WeakPolarHBondContact O-CB 3.45Å; P508-Q512 PolarHBondContact O-N 2.93Å
509E90.1Very high87.9Confident53 Ų5376.2 Ų76.225%0.24840%0.4CS..Hα-helixtrans-68.4-39.8176.2-70.4176.8150.300111L474 K477 I505 S506 A507 Q512 L513L474-E509 HydrophobicContact CD1-CB 3.89Å; L474-E509 HydrophobicContact CD1-CG 4.08Å; K477-E509 VanDerWaalsContact NZ-CD 3.31Å; K477-E509 IonicContact NZ-OE1 2.65Å; K477-E509 PolarHBondContact NZ-OE1 2.94Å; K477-E509 VanDerWaalsContact NZ-OE1 3.1Å; K477-E509 IonicContact NZ-OE2 3.32Å; K477-E509 PolarHBondContact NZ-OE2 3.45Å; I505-E509 HydrophobicContact CG2-CB 3.7Å; S506-E509 PolarHBondContact N-OE2 2.94Å; S506-E509 WeakPolarHBondContact O-CA 3.27Å; S506-E509 VanDerWaalsContact O-CB 3.32Å; S506-E509 WeakPolarHBondContact O-CB 3.36Å; S506-E509 PolarHBondContact O-N 2.85Å; A507-E509 VanDerWaalsContact C-N 3.34Å; A507-E509 PolarHBondContact O-N 3.29Å; E509-Q512 PolarHBondContact O-N 3.44Å; E509-L513 WeakPolarHBondContact O-CG 3.35Å; E509-L513 PolarHBondContact O-N 3.13Å
510K88.3Confident88.6Confident62 Ų6274.8 Ų74.827%0.2739%0.389SS..Hα-helixtrans-59.7-47.9172.3-67.5-170-179.3-178.40110.6E502 I505 S506 A507 Q512 L513 D514E502-K510 VanDerWaalsContact O-CE 3.28Å; E502-K510 WeakPolarHBondContact O-CE 3.46Å; E502-K510 PolarHBondContact O-NZ 2.92Å; E502-K510 IonicContact OE1-NZ 2.79Å; E502-K510 PolarHBondContact OE1-NZ 2.86Å; I505-K510 HydrophobicContact CB-CG 4Å; I505-K510 HydrophobicContact CG2-CB 4.44Å; I505-K510 HydrophobicContact CG2-CG 3.46Å; I505-K510 VanDerWaalsContact CG2-CG 3.46Å; S506-K510 PolarHBondContact O-N 3.32Å; A507-K510 PolarHBondContact O-N 3.26Å; K510-Q512 VanDerWaalsContact C-N 3.33Å; K510-Q512 PolarHBondContact O-N 3.22Å; K510-L513 WeakPolarHBondContact O-CB 3.38Å; K510-L513 PolarHBondContact O-N 3.44Å; K510-L513 VanDerWaalsContact O-N 3.15Å; K510-D514 PolarHBondContact O-N 3.4Å
511Q91.4Very high89.1Confident135 Ų13573.7 Ų73.763%0.63139%0.387SS*.Hα-helixtrans-60.7-41177.4-171.9177.6600112.4A507 P508 D514 V515A507-Q511 PolarHBondContact O-N 3.04Å; P508-Q511 PolarHBondContact O-N 3.16Å; Q511-D514 PolarHBondContact O-N 2.97Å; Q511-V515 WeakPolarHBondContact O-CG2 3.42Å; Q511-V515 PolarHBondContact O-N 3.41Å
512Q91.1Very high89.9Confident98 Ų9879.3 Ų79.346%0.45841%0.41SS..Hα-helixtrans-65.3-39.3176.1-175.6173.6-3.300112N471 L474 P508 E509 K510 L516N471-Q512 PolarHBondContact OD1-NE2 3.41Å; L474-Q512 HydrophobicContact CD2-CB 4.14Å; L474-Q512 HydrophobicContact CD2-CG 3.9Å; P508-Q512 WeakPolarHBondContact O-CB 3.45Å; P508-Q512 PolarHBondContact O-N 2.93Å; E509-Q512 PolarHBondContact O-N 3.44Å; K510-Q512 VanDerWaalsContact C-N 3.33Å; K510-Q512 PolarHBondContact O-N 3.22Å; Q512-L516 WeakPolarHBondContact O-CB 3.42Å; Q512-L516 PolarHBondContact O-N 3.41Å
513L90.8Very high90.7Very high6 Ų675.6 Ų75.63%0.03139%0.393CS..Hα-helixtrans-63.5-41.5174-78.8170.8000112L474 L475 I505 E509 K510 L516 K517L474-L513 HydrophobicContact CD1-CD1 4.25Å; L474-L513 HydrophobicContact CD1-CG 4.22Å; L474-L513 HydrophobicContact CD2-CD2 3.96Å; L474-L513 HydrophobicContact CD2-CG 3.85Å; L474-L513 HydrophobicContact CG-CD1 4.31Å; L474-L513 HydrophobicContact CG-CD2 3.73Å; L474-L513 HydrophobicContact CG-CG 3.82Å; L475-L513 HydrophobicContact CD2-CD2 4.12Å; I505-L513 HydrophobicContact CG2-CD1 4.48Å; E509-L513 WeakPolarHBondContact O-CG 3.35Å; E509-L513 PolarHBondContact O-N 3.13Å; K510-L513 WeakPolarHBondContact O-CB 3.38Å; K510-L513 PolarHBondContact O-N 3.44Å; K510-L513 VanDerWaalsContact O-N 3.15Å; L513-L516 PolarHBondContact O-N 2.93Å; L513-K517 WeakPolarHBondContact O-CB 3.43Å; L513-K517 VanDerWaalsContact O-CG 3.31Å; L513-K517 WeakPolarHBondContact O-CG 3.15Å; L513-K517 PolarHBondContact O-N 3.15Å
514D91.8Very high91.1Very high98 Ų9870.7 Ų70.752%0.52437%0.372SS..Hα-helixtrans-66.3-42.3179.3-68.2-24.1000111.8K510 Q511 L516 K517 L518K510-D514 PolarHBondContact O-N 3.4Å; Q511-D514 PolarHBondContact O-N 2.97Å; D514-L516 VanDerWaalsContact C-N 3.34Å; D514-K517 PolarHBondContact O-N 2.87Å; D514-L518 WeakPolarHBondContact O-CB 3.38Å; D514-L518 PolarHBondContact O-N 2.91Å
515V93.2Very high91.7Very high70 Ų7069.4 Ų69.442%0.42437%0.373SS..Hα-helixtrans-61.7-44.4173.6172.80000110.7Q511 L518 H519Q511-V515 WeakPolarHBondContact O-CG2 3.42Å; Q511-V515 PolarHBondContact O-N 3.41Å; V515-L518 PolarHBondContact O-N 2.67Å; V515-H519 WeakPolarHBondContact O-CB 3.3Å; V515-H519 PolarHBondContact O-CD2 2.87Å; V515-H519 VanDerWaalsContact O-CD2 3.28Å; V515-H519 VanDerWaalsContact O-CG 3.32Å; V515-H519 PolarHBondContact O-N 2.59Å
516L93.3Very high92.2Very high12 Ų1269.9 Ų69.96%0.06338%0.379CS..Hα-helixtrans-61.4-48177.5-179.665.1000111.6E467 N471 L475 Q512 L513 D514 L518 H519 V520E467-L516 HydrophobicContact CB-CD1 4.03Å; N471-L516 HydrophobicContact CB-CD2 3.62Å; L475-L516 HydrophobicContact CD1-CD2 4.35Å; L475-L516 HydrophobicContact CD2-CD2 4.02Å; L475-L516 HydrophobicContact CG-CD2 4.23Å; Q512-L516 WeakPolarHBondContact O-CB 3.42Å; Q512-L516 PolarHBondContact O-N 3.41Å; L513-L516 PolarHBondContact O-N 2.93Å; D514-L516 VanDerWaalsContact C-N 3.34Å; L516-L518 VanDerWaalsContact C-N 3.31Å; L516-L518 PolarHBondContact O-N 3.01Å; L516-H519 PolarHBondContact O-N 2.67Å; L516-V520 HydrophobicContact CD1-CG2 4.21Å; L516-V520 HydrophobicContact CG-CG2 4.45Å; L516-V520 WeakPolarHBondContact O-CG2 3.44Å; L516-V520 PolarHBondContact O-N 3Å
517K92.3Very high92.3Very high101 Ų10167.9 Ų67.944%0.43936%0.364SS..Hα-helixtrans-58-44.5176.7-75.1174-179.1178.30111L513 D514 H519 V520 N521L513-K517 WeakPolarHBondContact O-CB 3.43Å; L513-K517 VanDerWaalsContact O-CG 3.31Å; L513-K517 WeakPolarHBondContact O-CG 3.15Å; L513-K517 PolarHBondContact O-N 3.15Å; D514-K517 PolarHBondContact O-N 2.87Å; K517-H519 PolarHBondContact O-N 3.25Å; K517-V520 PolarHBondContact O-N 3.43Å; K517-N521 VanDerWaalsContact O-CB 3.3Å; K517-N521 WeakPolarHBondContact O-CB 3.29Å; K517-N521 PolarHBondContact O-N 2.94Å; K517-N521 PolarHBondContact O-ND2 3.43Å; K517-N521 PolarHBondContact O-OD1 3.34Å
518L94.3Very high92.5Very high87 Ų8767.2 Ų67.246%0.45535%0.35SS..Hα-helixtrans-65.2-38.6178.6-171149.8000112.2D514 V515 L516 K522D514-L518 WeakPolarHBondContact O-CB 3.38Å; D514-L518 PolarHBondContact O-N 2.91Å; V515-L518 PolarHBondContact O-N 2.67Å; L516-L518 VanDerWaalsContact C-N 3.31Å; L516-L518 PolarHBondContact O-N 3.01Å; L518-K522 HydrophobicContact CD2-CD 3.85Å; L518-K522 VanDerWaalsContact CD2-NZ 3.32Å; L518-K522 WeakPolarHBondContact O-CG 3.03Å; L518-K522 PolarHBondContact O-N 3.23Å; L518-K522 VanDerWaalsContact O-N 3.14Å
519H93.3Very high92.6Very high80 Ų8069.6 Ų69.637%0.3735%0.354SS..Hα-helixtrans-67.1-47.8175.6-74.4-165.2000112E467 V515 L516 K517 N521 K522 L523E467-H519 WeakPolarHBondContact OE2-CB 3.32Å; E467-H519 IonicContact OE2-ND1 3.02Å; V515-H519 WeakPolarHBondContact O-CB 3.3Å; V515-H519 PolarHBondContact O-CD2 2.87Å; V515-H519 VanDerWaalsContact O-CD2 3.28Å; V515-H519 VanDerWaalsContact O-CG 3.32Å; V515-H519 PolarHBondContact O-N 2.59Å; L516-H519 PolarHBondContact O-N 2.67Å; K517-H519 PolarHBondContact O-N 3.25Å; H519-N521 PolarHBondContact O-N 3.25Å; H519-K522 WeakPolarHBondContact O-CB 3.09Å; H519-K522 PolarHBondContact O-N 3.5Å; H519-L523 WeakPolarHBondContact O-CG 3.38Å; H519-L523 PolarHBondContact O-N 3.32Å
520V93.5Very high92.8Very high27 Ų2768.4 Ų68.416%0.16435%0.35CS..Hα-helixtrans-60.2-47.7177.5173.20000110.7R464 L516 K517 K522 L523 D524R464-V520 HydrophobicContact CG-CG1 4.41Å; L516-V520 HydrophobicContact CD1-CG2 4.21Å; L516-V520 HydrophobicContact CG-CG2 4.45Å; L516-V520 WeakPolarHBondContact O-CG2 3.44Å; L516-V520 PolarHBondContact O-N 3Å; K517-V520 PolarHBondContact O-N 3.43Å; V520-K522 VanDerWaalsContact C-N 3.26Å; V520-K522 PolarHBondContact O-N 3.4Å; V520-L523 WeakPolarHBondContact O-CB 3.27Å; V520-L523 PolarHBondContact O-N 2.95Å; V520-D524 VanDerWaalsContact O-CG 3.28Å; V520-D524 PolarHBondContact O-N 3.33Å
521N94.2Very high93Very high105 Ų10565.6 Ų65.656%0.56134%0.338SS*.Hα-helixtrans-59.3-36177.5-70.2-13.7000112.8K517 H519 S525K517-N521 VanDerWaalsContact O-CB 3.3Å; K517-N521 WeakPolarHBondContact O-CB 3.29Å; K517-N521 PolarHBondContact O-N 2.94Å; K517-N521 PolarHBondContact O-ND2 3.43Å; K517-N521 PolarHBondContact O-OD1 3.34Å; H519-N521 PolarHBondContact O-N 3.25Å; N521-S525 VanDerWaalsContact O-CB 3.3Å; N521-S525 WeakPolarHBondContact O-CB 3.21Å; N521-S525 PolarHBondContact O-N 2.96Å
522K95.6Very high93Very high137 Ų13764.2 Ų64.260%0.59633%0.332SS*.Hα-helixtrans-67.7-41.2174-78.8176.3178175.20112.1L518 H519 V520 A526L518-K522 HydrophobicContact CD2-CD 3.85Å; L518-K522 VanDerWaalsContact CD2-NZ 3.32Å; L518-K522 WeakPolarHBondContact O-CG 3.03Å; L518-K522 PolarHBondContact O-N 3.23Å; L518-K522 VanDerWaalsContact O-N 3.14Å; H519-K522 WeakPolarHBondContact O-CB 3.09Å; H519-K522 PolarHBondContact O-N 3.5Å; V520-K522 VanDerWaalsContact C-N 3.26Å; V520-K522 PolarHBondContact O-N 3.4Å; K522-A526 WeakPolarHBondContact O-CB 3.3Å; K522-A526 PolarHBondContact O-N 2.88Å
523L94.8Very high93.2Very high27 Ų2761.2 Ų61.214%0.14132%0.32CS..Hα-helixtrans-64.7-43.9176.7-67.2173000110.9L460 R463 R464 H519 V520 A526 E527L460-L523 HydrophobicContact CD2-CD2 3.75Å; R463-L523 HydrophobicContact CB-CD1 4.48Å; R463-L523 HydrophobicContact CG-CD1 4.11Å; R463-L523 HydrophobicContact CG-CD2 4.47Å; R464-L523 HydrophobicContact CB-CD1 4.06Å; H519-L523 WeakPolarHBondContact O-CG 3.38Å; H519-L523 PolarHBondContact O-N 3.32Å; V520-L523 WeakPolarHBondContact O-CB 3.27Å; V520-L523 PolarHBondContact O-N 2.95Å; L523-A526 PolarHBondContact O-N 3.47Å; L523-E527 WeakPolarHBondContact O-CB 3.42Å; L523-E527 PolarHBondContact O-N 3.43Å
524D92.2Very high93.3Very high49 Ų4961 Ų6126%0.26232%0.319SS..Hα-helixtrans-65.1-40.9177.8-63-17.2000111.7R464 V520 E527 N528R464-D524 VanDerWaalsContact CD-OD1 3.26Å; R464-D524 WeakPolarHBondContact CD-OD1 3.35Å; R464-D524 IonicContact CZ-OD1 3.36Å; R464-D524 IonicContact NE-OD1 2.86Å; R464-D524 IonicContact NH1-OD1 3.56Å; R464-D524 PolarHBondContact NH1-OD1 2.96Å; V520-D524 VanDerWaalsContact O-CG 3.28Å; V520-D524 PolarHBondContact O-N 3.33Å; D524-E527 PolarHBondContact O-N 2.93Å; D524-N528 PolarHBondContact O-N 3.28Å; D524-N528 VanDerWaalsContact O-N 3.13Å; D524-N528 PolarHBondContact O-ND2 3.15Å
525S92.9Very high93.4Very high76 Ų7656.6 Ų56.653%0.53130%0.295SS..Hα-helixtrans-65-40.7174.6179.70000111.9N521 E527 N528 Q529N521-S525 VanDerWaalsContact O-CB 3.3Å; N521-S525 WeakPolarHBondContact O-CB 3.21Å; N521-S525 PolarHBondContact O-N 2.96Å; S525-E527 VanDerWaalsContact C-N 3.35Å; S525-N528 PolarHBondContact O-N 3.17Å; S525-Q529 PolarHBondContact O-N 3.44Å
526A94.5Very high93.4Very high29 Ų2954.2 Ų54.224%0.2428%0.281CS..Hα-helixtrans-65.7-37.8176.100000112L460 K522 L523 Q529 V530L460-A526 HydrophobicContact CD1-CB 4.12Å; K522-A526 WeakPolarHBondContact O-CB 3.3Å; K522-A526 PolarHBondContact O-N 2.88Å; L523-A526 PolarHBondContact O-N 3.47Å; A526-Q529 PolarHBondContact O-N 2.52Å; A526-V530 VanDerWaalsContact O-CG2 3.32Å; A526-V530 WeakPolarHBondContact O-CG2 3.36Å; A526-V530 PolarHBondContact O-N 2.99Å
527E93.3Very high93.4Very high17 Ų1753.7 Ų53.78%0.07928%0.278CS..Hα-helixtrans-59.1-48.3174.5179.9172178.500111.5L89 V457 R464 L523 D524 S525 Q529 V530 D531L89-E527 HydrophobicContact CD1-CG 3.31Å; L89-E527 WeakPolarHBondContact CD1-OE1 3.49Å; V457-E527 HydrophobicContact CG1-CG 4.23Å; R464-E527 IonicContact CZ-OE2 2.84Å; R464-E527 IonicContact NH1-OE2 3.27Å; R464-E527 PolarHBondContact NH1-OE2 3.01Å; R464-E527 IonicContact NH2-OE2 2.62Å; R464-E527 PolarHBondContact NH2-OE2 2.92Å; L523-E527 WeakPolarHBondContact O-CB 3.42Å; L523-E527 PolarHBondContact O-N 3.43Å; D524-E527 PolarHBondContact O-N 2.93Å; S525-E527 VanDerWaalsContact C-N 3.35Å; E527-Q529 VanDerWaalsContact C-N 3.35Å; E527-Q529 PolarHBondContact O-N 3.41Å; E527-V530 PolarHBondContact O-N 2.75Å; E527-D531 PolarHBondContact O-N 3.09Å
528N91.9Very high93.4Very high63 Ų6351 Ų5134%0.33727%0.267SS..Hα-helixtrans-60.4-41.9175.9-72.1-55.3000112.3D524 S525 D531 E532D524-N528 PolarHBondContact O-N 3.28Å; D524-N528 VanDerWaalsContact O-N 3.13Å; D524-N528 PolarHBondContact O-ND2 3.15Å; S525-N528 PolarHBondContact O-N 3.17Å; N528-D531 PolarHBondContact O-N 3.19Å; N528-E532 PolarHBondContact O-N 3.27Å
529Q92.3Very high93.2Very high129 Ų12947.7 Ų47.760%0.60325%0.251SS*.Hα-helixtrans-65.9-39.8178.8-170.5-176.36.400112.4S525 A526 E527 D531 E532S525-Q529 PolarHBondContact O-N 3.44Å; A526-Q529 PolarHBondContact O-N 2.52Å; E527-Q529 VanDerWaalsContact C-N 3.35Å; E527-Q529 PolarHBondContact O-N 3.41Å; Q529-D531 VanDerWaalsContact C-N 3.32Å; Q529-E532 PolarHBondContact O-N 3.3Å
530V94.3Very high93.1Very high28 Ų2844.7 Ų44.717%0.1724%0.237CC..Hα-helixtrans-67.5-36.1176.7176.60000110.6C453 T456 V457 A526 E527 E532 T533 V534C453-V530 HydrophobicContact CB-CG1 4Å; T456-V530 HydrophobicContact CG2-CG2 4.28Å; V457-V530 HydrophobicContact CG2-CB 4.05Å; V457-V530 HydrophobicContact CG2-CG1 3.54Å; A526-V530 VanDerWaalsContact O-CG2 3.32Å; A526-V530 WeakPolarHBondContact O-CG2 3.36Å; A526-V530 PolarHBondContact O-N 2.99Å; E527-V530 PolarHBondContact O-N 2.75Å; V530-E532 VanDerWaalsContact C-N 3.32Å; V530-E532 PolarHBondContact O-N 3.48Å; V530-T533 WeakPolarHBondContact O-CB 3.45Å; V530-T533 PolarHBondContact O-N 2.99Å; V530-T533 VanDerWaalsContact O-N 3.12Å; V530-V534 HydrophobicContact CG1-CG2 4.37Å; V530-V534 WeakPolarHBondContact O-CG2 3.43Å; V530-V534 PolarHBondContact O-N 3.06Å
531D92.7Very high93Very high4 Ų444.4 Ų44.42%0.02124%0.235CC..Hα-helixtrans-60.8-37.5175177.868.4000113L89 R90 E527 N528 Q529 T533 V534 F535L89-D531 HydrophobicContact CD2-CB 3.87Å; L89-D531 HydrophobicContact CG-CB 4Å; R90-D531 VanDerWaalsContact CG-OD1 3.27Å; R90-D531 WeakPolarHBondContact CG-OD1 3.32Å; R90-D531 WeakPolarHBondContact CG-OD2 3.18Å; R90-D531 IonicContact CZ-OD1 2.78Å; R90-D531 IonicContact NE-OD1 3.82Å; R90-D531 PolarHBondContact NE-OD1 3.27Å; R90-D531 IonicContact NE-OD2 2.7Å; R90-D531 IonicContact NH2-OD1 3.42Å; E527-D531 PolarHBondContact O-N 3.09Å; N528-D531 PolarHBondContact O-N 3.19Å; Q529-D531 VanDerWaalsContact C-N 3.32Å; D531-T533 PolarHBondContact O-N 2.91Å; D531-V534 WeakPolarHBondContact O-CB 3.37Å; D531-V534 PolarHBondContact O-N 3.31Å; D531-V534 VanDerWaalsContact O-N 3.09Å; D531-F535 PolarHBondContact O-N 2.92Å
532E91.6Very high92.7Very high106 Ų10642.1 Ų42.150%0.49523%0.227SC..Hα-helixtrans-57.9-40174.7-63.7-169.5157.700111.8N528 Q529 V530 F535 V536N528-E532 PolarHBondContact O-N 3.27Å; Q529-E532 PolarHBondContact O-N 3.3Å; V530-E532 VanDerWaalsContact C-N 3.32Å; V530-E532 PolarHBondContact O-N 3.48Å; E532-F535 PolarHBondContact O-N 2.99Å; E532-V536 WeakPolarHBondContact O-CG2 3.11Å; E532-V536 PolarHBondContact O-N 3.07Å
533T94Very high92.2Very high35 Ų3536.1 Ų36.122%0.21520%0.203CC..Hα-helixtrans-67.1-43.6175.3-60.10000111.3T363 I367 V530 D531 F535 V536 L537T363-T533 HydrophobicContact CG2-CG2 3.76Å; I367-T533 HydrophobicContact CD1-CG2 4.2Å; V530-T533 WeakPolarHBondContact O-CB 3.45Å; V530-T533 PolarHBondContact O-N 2.99Å; V530-T533 VanDerWaalsContact O-N 3.12Å; D531-T533 PolarHBondContact O-N 2.91Å; T533-F535 VanDerWaalsContact C-N 3.31Å; T533-F535 PolarHBondContact O-N 3.24Å; T533-V536 PolarHBondContact O-N 2.98Å; T533-L537 HydrophobicContact CG2-CD1 4.03Å; T533-L537 HydrophobicContact CG2-CG 4.49Å; T533-L537 WeakPolarHBondContact O-CG 3.38Å; T533-L537 PolarHBondContact O-N 3.09Å; T533-L537 VanDerWaalsContact O-N 3.12Å
534V93.8Very high91.6Very high2 Ų236.5 Ų36.51%0.01221%0.206CC..Hα-helixtrans-57.5-46.2175.5172.40000110.1L450 C453 Y454 V530 D531 V536 L537 E538L450-V534 HydrophobicContact CD1-CB 4.27Å; L450-V534 HydrophobicContact CD1-CG1 3.76Å; L450-V534 HydrophobicContact CD1-CG2 4.42Å; C453-V534 HydrophobicContact CB-CG2 3.54Å; Y454-V534 HydrophobicContact CE1-CG1 3.65Å; Y454-V534 HydrophobicContact CE1-CG2 4.42Å; V530-V534 HydrophobicContact CG1-CG2 4.37Å; V530-V534 WeakPolarHBondContact O-CG2 3.43Å; V530-V534 PolarHBondContact O-N 3.06Å; D531-V534 WeakPolarHBondContact O-CB 3.37Å; D531-V534 PolarHBondContact O-N 3.31Å; D531-V534 VanDerWaalsContact O-N 3.09Å; V534-V536 PolarHBondContact O-N 3.23Å; V534-L537 PolarHBondContact O-N 3.41Å; V534-E538 WeakPolarHBondContact O-CB 3.12Å; V534-E538 PolarHBondContact O-N 3.4Å
535F93.5Very high90.6Very high4 Ų437.9 Ų37.92%0.01822%0.22CC..Hα-helixtrans-59.8-46.2-179.1173.9-101.8000112.6H257 F260 R261 D531 E532 T533 S539H257-F535 HydrophobicContact CB-CE2 3.84Å; H257-F535 HydrophobicContact CB-CZ 4.43Å; H257-F535 AromaticContact CG-CE2 3.92Å; H257-F535 WeakPolarHBondContact O-CZ 3.49Å; F260-F535 HydrophobicContact CB-CD1 4.19Å; F260-F535 HydrophobicContact CB-CE1 3.48Å; F260-F535 VanDerWaalsContact CB-CE1 3.48Å; F260-F535 HydrophobicContact CB-CE2 4.16Å; F260-F535 HydrophobicContact CB-CZ 3.48Å; F260-F535 VanDerWaalsContact CB-CZ 3.48Å; F260-F535 HydrophobicContact CD2-CE2 4.41Å; R261-F535 HydrophobicContact CB-CZ 4.33Å; D531-F535 PolarHBondContact O-N 2.92Å; E532-F535 PolarHBondContact O-N 2.99Å; T533-F535 VanDerWaalsContact C-N 3.31Å; T533-F535 PolarHBondContact O-N 3.24Å; F535-S539 WeakPolarHBondContact CE2-OG 3.11Å; F535-S539 WeakPolarHBondContact CZ-OG 3.33Å; F535-S539 WeakPolarHBondContact O-CB 3.31Å; F535-S539 PolarHBondContact O-N 3.37Å; F535-S539 PolarHBondContact O-OG 3.41Å
536V93Very high89Confident21 Ų2138.3 Ų38.313%0.12722%0.219CC..Hα-helixtrans-64.6-45.7179.6174.50000111.1L359 E532 T533 V534 Y540L359-V536 HydrophobicContact CB-CG1 3.93Å; E532-V536 WeakPolarHBondContact O-CG2 3.11Å; E532-V536 PolarHBondContact O-N 3.07Å; T533-V536 PolarHBondContact O-N 2.98Å; V534-V536 PolarHBondContact O-N 3.23Å; V536-Y540 PolarHBondContact O-N 3.15Å
537L93.3Very high86.8Confident0 Ų041.9 Ų41.90%024%0.243CC..Hα-helixtrans-67.9-42.9-179.5-66.2178.5000111.9A360 I364 A446 L449 L450 T533 V534 Y540 V541A360-L537 HydrophobicContact CB-CD2 4.38Å; I364-L537 HydrophobicContact CG1-CD2 4.3Å; A446-L537 HydrophobicContact CB-CD2 4.09Å; L449-L537 HydrophobicContact CB-CD1 3.97Å; L450-L537 HydrophobicContact CD1-CB 4.25Å; T533-L537 HydrophobicContact CG2-CD1 4.03Å; T533-L537 HydrophobicContact CG2-CG 4.49Å; T533-L537 WeakPolarHBondContact O-CG 3.38Å; T533-L537 PolarHBondContact O-N 3.09Å; T533-L537 VanDerWaalsContact O-N 3.12Å; V534-L537 PolarHBondContact O-N 3.41Å; L537-Y540 PolarHBondContact O-N 3.38Å; L537-V541 VanDerWaalsContact O-CG2 3.26Å; L537-V541 WeakPolarHBondContact O-CG2 3.49Å; L537-V541 PolarHBondContact O-N 3.02Å
538E91.9Very high86.5Confident46 Ų4643.2 Ų43.222%0.21525%0.251CS..Hα-helixtrans-62.3-46176.2-178.6180-148.100111.3R90 L450 V534 Y540 V541 S542R90-E538 IonicContact CZ-OE2 2.78Å; R90-E538 VanDerWaalsContact CZ-OE2 3.31Å; R90-E538 IonicContact NH1-OE2 2.81Å; R90-E538 PolarHBondContact NH1-OE2 3.5Å; R90-E538 IonicContact NH2-OE2 3.98Å; R90-E538 PolarHBondContact NH2-OE2 3.14Å; L450-E538 HydrophobicContact CD1-CB 4.49Å; V534-E538 WeakPolarHBondContact O-CB 3.12Å; V534-E538 PolarHBondContact O-N 3.4Å; E538-Y540 VanDerWaalsContact C-N 3.31Å; E538-Y540 PolarHBondContact O-N 2.85Å; E538-V541 PolarHBondContact O-N 3.22Å; E538-S542 WeakPolarHBondContact O-CB 3.12Å; E538-S542 PolarHBondContact O-N 2.99Å; E538-S542 PolarHBondContact O-OG 3.19Å
539S90.4Very high86.2Confident17 Ų1742.1 Ų42.112%0.11925%0.246CC..Hα-helixtrans-61.2-39.7177.6-61.90000112F535 S542 S543F535-S539 WeakPolarHBondContact CE2-OG 3.11Å; F535-S539 WeakPolarHBondContact CZ-OG 3.33Å; F535-S539 WeakPolarHBondContact O-CB 3.31Å; F535-S539 PolarHBondContact O-N 3.37Å; F535-S539 PolarHBondContact O-OG 3.41Å; S539-S542 WeakPolarHBondContact CA-OG 3.44Å; S539-S542 PolarHBondContact O-OG 2.98Å; S539-S543 VanDerWaalsContact O-CB 3.28Å; S539-S543 WeakPolarHBondContact O-CB 3.35Å; S539-S543 PolarHBondContact O-N 3.22Å; S539-S543 PolarHBondContact O-OG 3.46Å
540Y92.1Very high85.8Confident16 Ų1637.3 Ų37.36%0.06323%0.226CC..Hα-helixtrans-64.8-50.5174.1172.9-120.7000111.3A357 A360 Q442 L443 A446 V536 L537 E538 S542 S543 T544A357-Y540 HydrophobicContact CB-CD2 4.01Å; A357-Y540 HydrophobicContact CB-CE2 3.54Å; A360-Y540 HydrophobicContact CB-CD1 3.69Å; A360-Y540 HydrophobicContact CB-CD2 4.41Å; A360-Y540 HydrophobicContact CB-CE1 4.38Å; A360-Y540 HydrophobicContact CB-CG 3.69Å; Q442-Y540 HydrophobicContact CB-CE1 4.42Å; L443-Y540 HydrophobicContact CD1-CE1 4.41Å; A446-Y540 HydrophobicContact CB-CD1 3.97Å; A446-Y540 HydrophobicContact CB-CE1 4.16Å; V536-Y540 PolarHBondContact O-N 3.15Å; L537-Y540 PolarHBondContact O-N 3.38Å; E538-Y540 VanDerWaalsContact C-N 3.31Å; E538-Y540 PolarHBondContact O-N 2.85Å; Y540-S542 VanDerWaalsContact C-N 3.32Å; Y540-S542 PolarHBondContact O-N 2.65Å; Y540-S543 PolarHBondContact O-N 3.18Å; Y540-S543 PolarHBondContact O-OG 2.97Å; Y540-T544 WeakPolarHBondContact CE2-OG1 3.35Å; Y540-T544 PolarHBondContact O-N 3.04Å; Y540-T544 PolarHBondContact O-OG1 3.34Å; Y540-T544 VanDerWaalsContact O-OG1 3.08Å
541V91.2Very high85.3Confident21 Ų2137.8 Ų37.813%0.12723%0.23CC..Hα-helixtrans-61.2-39.3-179.3172.60000112.1L443 A446 R447 L537 E538 S545L443-V541 HydrophobicContact CD1-CG2 4.18Å; A446-V541 HydrophobicContact CB-CG2 4.27Å; R447-V541 HydrophobicContact CG-CG1 4.2Å; R447-V541 HydrophobicContact CG-CG2 3.93Å; L537-V541 VanDerWaalsContact O-CG2 3.26Å; L537-V541 WeakPolarHBondContact O-CG2 3.49Å; L537-V541 PolarHBondContact O-N 3.02Å; E538-V541 PolarHBondContact O-N 3.22Å; V541-S545 PolarHBondContact O-N 3.09Å; V541-S545 PolarHBondContact O-OG 3.47Å
542S87.3Confident84.9Confident58 Ų5839.9 Ų39.941%0.40624%0.243SC..Hα-helixtrans-67.2-45.7176.7650000111.1E538 S539 Y540 T544 S545 T546E538-S542 WeakPolarHBondContact O-CB 3.12Å; E538-S542 PolarHBondContact O-N 2.99Å; E538-S542 PolarHBondContact O-OG 3.19Å; S539-S542 WeakPolarHBondContact CA-OG 3.44Å; S539-S542 PolarHBondContact O-OG 2.98Å; Y540-S542 VanDerWaalsContact C-N 3.32Å; Y540-S542 PolarHBondContact O-N 2.65Å; S542-T544 VanDerWaalsContact C-N 3.33Å; S542-T544 PolarHBondContact O-N 3.05Å; S542-S545 WeakPolarHBondContact O-CB 3.02Å; S542-S545 PolarHBondContact O-N 3.43Å; S542-T546 PolarHBondContact O-N 2.94Å; S542-T546 PolarHBondContact O-OG1 3.3Å
543S84.9Confident84.4Confident11 Ų1135.5 Ų35.58%0.07723%0.226CC..Hα-helixtrans-61.3-37.6178.773.80000113.3H353 S539 Y540 S545 T546 S547H353-S543 PolarHBondContact CD2-OG 3.28Å; H353-S543 VanDerWaalsContact CD2-OG 3.31Å; S539-S543 VanDerWaalsContact O-CB 3.28Å; S539-S543 WeakPolarHBondContact O-CB 3.35Å; S539-S543 PolarHBondContact O-N 3.22Å; S539-S543 PolarHBondContact O-OG 3.46Å; Y540-S543 PolarHBondContact O-N 3.18Å; Y540-S543 PolarHBondContact O-OG 2.97Å; S543-S545 VanDerWaalsContact C-N 3.3Å; S543-T546 PolarHBondContact O-N 2.66Å; S543-T546 PolarHBondContact O-OG1 3Å; S543-S547 WeakPolarHBondContact O-CB 3.42Å; S543-S547 PolarHBondContact O-N 2.91Å; S543-S547 VanDerWaalsContact O-N 3.16Å; S543-S547 PolarHBondContact O-OG 3.29Å
544T83.8Confident83.8Confident34 Ų3435.6 Ų35.621%0.20923%0.227CC..Hα-helixtrans-76.1-18176.9-51.20000112.5H353 L443 Y540 S542H353-T544 PolarHBondContact NE2-OG1 3.27Å; H353-T544 VanDerWaalsContact NE2-OG1 3.09Å; L443-T544 HydrophobicContact CD1-CG2 4.23Å; L443-T544 HydrophobicContact CD2-CG2 4.07Å; Y540-T544 WeakPolarHBondContact CE2-OG1 3.35Å; Y540-T544 PolarHBondContact O-N 3.04Å; Y540-T544 PolarHBondContact O-OG1 3.34Å; Y540-T544 VanDerWaalsContact O-OG1 3.08Å; S542-T544 VanDerWaalsContact C-N 3.33Å; S542-T544 PolarHBondContact O-N 3.05Å
545S71.2Confident83Confident79 Ų7938.2 Ų38.255%0.55224%0.243SC*.Hα-helixtrans-81.8-22.2175.2-56.10000112.3V541 S542 S543V541-S545 PolarHBondContact O-N 3.09Å; V541-S545 PolarHBondContact O-OG 3.47Å; S542-S545 WeakPolarHBondContact O-CB 3.02Å; S542-S545 PolarHBondContact O-N 3.43Å; S543-S545 VanDerWaalsContact C-N 3.3Å
546T57.3Low82.1Confident85 Ų8541 Ų4152%0.52126%0.262SS..Hα-helixtrans-96.6-16177.747.10000113.9S542 S543S542-T546 PolarHBondContact O-N 2.94Å; S542-T546 PolarHBondContact O-OG1 3.3Å; S543-T546 PolarHBondContact O-N 2.66Å; S543-T546 PolarHBondContact O-OG1 3Å
547S49.1Very low81.1Confident104 Ų10442.8 Ų42.873%0.72727%0.274SS*.  trans-90.30175.2-51.50000110.3H353 S543H353-S547 PolarHBondContact CD2-OG 2.95Å; S543-S547 WeakPolarHBondContact O-CB 3.42Å; S543-S547 PolarHBondContact O-N 2.91Å; S543-S547 VanDerWaalsContact O-N 3.16Å; S543-S547 PolarHBondContact O-OG 3.29Å

Retrieved 547 of 547 residues in 260.1 ms (Link to these results)

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