A0A087XCH6_POEFO Loading...

rRNA-processing protein UTP23 homolog

Involved in rRNA-processing and ribosome biogenesis.

AlphaFold DB , UniProt , Accession A0A087XCH6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 254 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
1M61.6Low84.9Confident220 Ų220125.3 Ų125.3100%1.08457%0.567SS**  0-60.10-81.1-176.9170.900114.9I3 K4M1-I3 VanDerWaalsContact C-N 3.33Å; M1-I3 PolarHBondContact O-N 3.16Å; M1-K4 PolarHBondContact O-N 2.65Å
2K62.1Low85.9Confident174 Ų174115 Ų11576%0.75752%0.52SS*.Hα-helixtrans-38.6-49.9-168.9-66179.9-179.1175.30115.8K4 R5 Q6K2-K4 VanDerWaalsContact C-N 3.32Å; K2-K4 PolarHBondContact O-N 3.5Å; K2-R5 WeakPolarHBondContact O-CB 3.48Å; K2-R5 PolarHBondContact O-N 3.32Å; K2-Q6 PolarHBondContact O-N 2.99Å; K2-Q6 VanDerWaalsContact O-N 3.14Å
3I77.1Confident86.7Confident138 Ų138106.8 Ų106.871%0.70848%0.484SS*.Hα-helixtrans-55.7-40.1-179.1-58.5171.4000112.8M1 R5 Q6 K7M1-I3 VanDerWaalsContact C-N 3.33Å; M1-I3 PolarHBondContact O-N 3.16Å; I3-R5 VanDerWaalsContact C-N 3.33Å; I3-R5 PolarHBondContact O-N 3.34Å; I3-Q6 PolarHBondContact O-N 2.96Å; I3-K7 WeakPolarHBondContact O-CB 3.34Å; I3-K7 PolarHBondContact O-N 3.04Å
4K85.9Confident87.4Confident179 Ų179103.1 Ų103.178%0.77847%0.47SS*.Hα-helixtrans-64.1-37.6177.9-68-169.2178.7-175.30111.5M1 K2 K7 Q8M1-K4 PolarHBondContact O-N 2.65Å; K2-K4 VanDerWaalsContact C-N 3.32Å; K2-K4 PolarHBondContact O-N 3.5Å; K4-K7 PolarHBondContact O-N 3.4Å; K4-Q8 PolarHBondContact O-N 3.47Å
5R86.9Confident88.1Confident75 Ų7598.7 Ų98.728%0.28345%0.45SS..Hα-helixtrans-68.4-40.1177.4-171.1-177.8128.8-129.5-10.6111.9K2 I3 A9 Y52 M145K2-R5 WeakPolarHBondContact O-CB 3.48Å; K2-R5 PolarHBondContact O-N 3.32Å; I3-R5 VanDerWaalsContact C-N 3.33Å; I3-R5 PolarHBondContact O-N 3.34Å; R5-A9 PolarHBondContact O-N 2.82Å; R5-Y52 HydrophobicContact CG-CE2 3.83Å; R5-Y52 VanDerWaalsContact NH2-CD2 3.35Å; R5-Y52 VanDerWaalsContact NH2-CG 3.32Å; R5-M145 PolarHBondContact NE-O 3.25Å; R5-M145 PolarHBondContact NH2-O 2.96Å
6Q88.9Confident88.6Confident72 Ų7292.8 Ų92.834%0.33642%0.422SS..Hα-helixtrans-68.8-40.9173.8-78170.2-54.400112.2K2 I3 Q8 A9 K10 K51 Y52 M54K2-Q6 PolarHBondContact O-N 2.99Å; K2-Q6 VanDerWaalsContact O-N 3.14Å; I3-Q6 PolarHBondContact O-N 2.96Å; Q6-Q8 VanDerWaalsContact C-N 3.31Å; Q6-Q8 PolarHBondContact O-N 3.25Å; Q6-A9 PolarHBondContact O-N 3.1Å; Q6-K10 WeakPolarHBondContact O-CB 3.36Å; Q6-K10 PolarHBondContact O-N 3.4Å; Q6-K51 PolarHBondContact NE2-O 3.19Å; Q6-Y52 HydrophobicContact CG-CD2 4.38Å; Q6-M54 HydrophobicContact CB-SD 4.45Å
7K92.3Very high89.1Confident169 Ų16991.4 Ų91.474%0.73542%0.415SS*.Hα-helixtrans-60.2-40.1174.4-172.1173.7-178.11760111.9I3 K4 K11I3-K7 WeakPolarHBondContact O-CB 3.34Å; I3-K7 PolarHBondContact O-N 3.04Å; K4-K7 PolarHBondContact O-N 3.4Å; K7-K11 PolarHBondContact O-N 3.22Å; K7-K11 VanDerWaalsContact O-N 3.09Å
8Q93.1Very high89.4Confident79 Ų7996.3 Ų96.337%0.36943%0.432SS..Hα-helixtrans-66-46.6174-17956.643.300112K4 Q6 K10 K11 T12K4-Q8 PolarHBondContact O-N 3.47Å; Q6-Q8 VanDerWaalsContact C-N 3.31Å; Q6-Q8 PolarHBondContact O-N 3.25Å; Q8-K10 PolarHBondContact O-N 3.44Å; Q8-K11 PolarHBondContact O-N 3.28Å; Q8-K11 VanDerWaalsContact O-N 3.12Å; Q8-T12 PolarHBondContact NE2-OG1 3.02Å; Q8-T12 PolarHBondContact O-N 3.03Å; Q8-T12 PolarHBondContact O-OG1 3.32Å
9A94.6Very high89.6Confident0 Ų094.6 Ų94.60%043%0.427CS..Hα-helixtrans-58.4-46.7177.100000111.6R5 Q6 K11 T12 I13 Y52 L147R5-A9 PolarHBondContact O-N 2.82Å; Q6-A9 PolarHBondContact O-N 3.1Å; A9-K11 VanDerWaalsContact C-N 3.3Å; A9-K11 PolarHBondContact O-N 3.31Å; A9-T12 PolarHBondContact O-N 3.12Å; A9-T12 VanDerWaalsContact O-N 3.15Å; A9-I13 VanDerWaalsContact O-CG1 3.28Å; A9-I13 WeakPolarHBondContact O-CG1 3.12Å; A9-I13 PolarHBondContact O-N 2.89Å; A9-Y52 HydrophobicContact CB-CD2 4.32Å; A9-Y52 HydrophobicContact CB-CE2 3.56Å; A9-L147 HydrophobicContact CB-CD2 4.42Å
10K95.1Very high89.8Confident116 Ų11691.1 Ų91.150%0.50441%0.411SS..Hα-helixtrans-59.3-37175.1-173.5168.8-179.1171.80112.6Q6 Q8 N14 M54Q6-K10 WeakPolarHBondContact O-CB 3.36Å; Q6-K10 PolarHBondContact O-N 3.4Å; Q8-K10 PolarHBondContact O-N 3.44Å; K10-N14 WeakPolarHBondContact O-CB 3.45Å; K10-N14 PolarHBondContact O-N 3.12Å; K10-N14 PolarHBondContact O-OD1 3.21Å; K10-M54 HydrophobicContact CB-SD 4.44Å; K10-M54 HydrophobicContact CD-SD 4.43Å
11K96.2Very high90Very high156 Ų15689.9 Ų89.968%0.67841%0.413SS*.Hα-helixtrans-65-46.4173.4-172.8177.2178-179.30111.7K7 Q8 A9 F15K7-K11 PolarHBondContact O-N 3.22Å; K7-K11 VanDerWaalsContact O-N 3.09Å; Q8-K11 PolarHBondContact O-N 3.28Å; Q8-K11 VanDerWaalsContact O-N 3.12Å; A9-K11 VanDerWaalsContact C-N 3.3Å; A9-K11 PolarHBondContact O-N 3.31Å; K11-F15 PolarHBondContact O-N 2.79Å; K11-F15 VanDerWaalsContact O-N 3.09Å
12T96.9Very high91.7Very high2 Ų279.9 Ų79.91%0.01236%0.364CS..Hα-helixtrans-62.7-45.3176.8-61.70000111.8Q8 A9 N14 F15 Y16 L147 D148 P150Q8-T12 PolarHBondContact NE2-OG1 3.02Å; Q8-T12 PolarHBondContact O-N 3.03Å; Q8-T12 PolarHBondContact O-OG1 3.32Å; A9-T12 PolarHBondContact O-N 3.12Å; A9-T12 VanDerWaalsContact O-N 3.15Å; T12-N14 PolarHBondContact O-N 3.28Å; T12-F15 WeakPolarHBondContact O-CB 3.44Å; T12-F15 PolarHBondContact O-N 3.25Å; T12-Y16 HydrophobicContact CG2-CD2 3.78Å; T12-Y16 HydrophobicContact CG2-CE2 3.5Å; T12-Y16 VanDerWaalsContact O-CD2 3.27Å; T12-Y16 WeakPolarHBondContact O-CD2 3.44Å; T12-Y16 PolarHBondContact O-N 2.95Å; T12-Y16 VanDerWaalsContact O-N 3.15Å; T12-L147 HydrophobicContact CG2-CD2 3.72Å; T12-L147 HydrophobicContact CG2-CG 3.95Å; T12-D148 WeakPolarHBondContact CG2-O 3.44Å; T12-D148 PolarHBondContact OG1-O 3.47Å; T12-P150 HydrophobicContact CG2-CG 4.42Å
13I96.6Very high93.2Very high8 Ų880.8 Ų80.84%0.04136%0.362CS..Hα-helixtrans-63-44.9179.6-66.6167.2000110.5A9 F15 Y16 K17 F26 L53 F117 L147A9-I13 VanDerWaalsContact O-CG1 3.28Å; A9-I13 WeakPolarHBondContact O-CG1 3.12Å; A9-I13 PolarHBondContact O-N 2.89Å; I13-F15 VanDerWaalsContact C-N 3.3Å; I13-F15 PolarHBondContact O-N 3.34Å; I13-Y16 PolarHBondContact O-N 3.22Å; I13-K17 HydrophobicContact CG2-CD 4.36Å; I13-K17 HydrophobicContact CG2-CG 4.27Å; I13-K17 WeakPolarHBondContact O-CG 3.37Å; I13-K17 PolarHBondContact O-N 3.27Å; I13-F26 HydrophobicContact CG2-CE1 4.25Å; I13-F26 HydrophobicContact CG2-CE2 4.31Å; I13-F26 HydrophobicContact CG2-CZ 3.62Å; I13-L53 HydrophobicContact CD1-CB 4.01Å; I13-L53 HydrophobicContact CD1-CD2 3.76Å; I13-L53 HydrophobicContact CD1-CG 4.5Å; I13-L53 WeakPolarHBondContact CD1-O 3.36Å; I13-L53 HydrophobicContact CG1-CD2 4.48Å; I13-F117 HydrophobicContact CG1-CZ 4.49Å; I13-L147 HydrophobicContact CD1-CD2 4.2Å; I13-L147 HydrophobicContact CG1-CD2 3.66Å
14N96.8Very high94.1Very high56 Ų5678 Ų7830%0.29935%0.346SS..Hα-helixtrans-59.7-39.4175.7-76.611.1000112.2K10 T12 Y16 K17 Y18K10-N14 WeakPolarHBondContact O-CB 3.45Å; K10-N14 PolarHBondContact O-N 3.12Å; K10-N14 PolarHBondContact O-OD1 3.21Å; T12-N14 PolarHBondContact O-N 3.28Å; N14-Y16 PolarHBondContact O-N 3.47Å; N14-K17 PolarHBondContact O-N 3.4Å; N14-Y18 HydrophobicContact CB-CD2 4.33Å; N14-Y18 HydrophobicContact CB-CE2 4.1Å; N14-Y18 WeakPolarHBondContact O-CD2 3.41Å; N14-Y18 PolarHBondContact O-N 3.28Å
15F97.3Very high94.6Very high37 Ų3772.1 Ų72.116%0.16233%0.326CS..Hα-helixtrans-58.6-45.3174.6169.7-88.2000111.9K11 T12 I13 N19 F20 P150 L155 V158K11-F15 PolarHBondContact O-N 2.79Å; K11-F15 VanDerWaalsContact O-N 3.09Å; T12-F15 WeakPolarHBondContact O-CB 3.44Å; T12-F15 PolarHBondContact O-N 3.25Å; I13-F15 VanDerWaalsContact C-N 3.3Å; I13-F15 PolarHBondContact O-N 3.34Å; F15-N19 VanDerWaalsContact CD2-ND2 3.32Å; F15-N19 WeakPolarHBondContact CD2-ND2 3.41Å; F15-N19 WeakPolarHBondContact O-CB 3.49Å; F15-N19 PolarHBondContact O-N 3.17Å; F15-N19 VanDerWaalsContact O-N 3.08Å; F15-N19 PolarHBondContact O-ND2 3Å; F15-F20 HydrophobicContact CE1-CD2 4.11Å; F15-F20 AromaticContact CE1-CE2 3.7Å; F15-F20 HydrophobicContact CE1-CE2 3.7Å; F15-F20 AromaticContact CZ-CE2 3.94Å; F15-F20 HydrophobicContact CZ-CE2 3.94Å; F15-P150 HydrophobicContact CB-CG 4.47Å; F15-P150 HydrophobicContact CD1-CB 3.89Å; F15-P150 HydrophobicContact CD1-CG 3.42Å; F15-P150 VanDerWaalsContact CD1-CG 3.42Å; F15-P150 HydrophobicContact CD2-CG 4.46Å; F15-P150 HydrophobicContact CE1-CB 3.56Å; F15-P150 HydrophobicContact CE1-CG 3.67Å; F15-P150 HydrophobicContact CG-CG 3.87Å; F15-P150 HydrophobicContact CZ-CB 4.04Å; F15-P150 HydrophobicContact CZ-CG 4.28Å; F15-L155 HydrophobicContact CE2-CD2 3.73Å; F15-L155 HydrophobicContact CZ-CD2 3.86Å; F15-V158 HydrophobicContact CE2-CG1 4.46Å; F15-V158 HydrophobicContact CE2-CG2 4.21Å; F15-V158 HydrophobicContact CZ-CB 4.48Å; F15-V158 HydrophobicContact CZ-CG2 3.89Å
16Y97Very high95.1Very high3 Ų368.6 Ų68.61%0.01231%0.313CS..Hα-helixtrans-71.8-35177.3-71.2-63.8000113.2T12 I13 N14 F20 S21 F22 V135 P136 P150T12-Y16 HydrophobicContact CG2-CD2 3.78Å; T12-Y16 HydrophobicContact CG2-CE2 3.5Å; T12-Y16 VanDerWaalsContact O-CD2 3.27Å; T12-Y16 WeakPolarHBondContact O-CD2 3.44Å; T12-Y16 PolarHBondContact O-N 2.95Å; T12-Y16 VanDerWaalsContact O-N 3.15Å; I13-Y16 PolarHBondContact O-N 3.22Å; N14-Y16 PolarHBondContact O-N 3.47Å; Y16-F20 HydrophobicContact CD1-CB 4.41Å; Y16-F20 AromaticContact CD1-CD2 3.73Å; Y16-F20 HydrophobicContact CD1-CD2 3.73Å; Y16-F20 HydrophobicContact CD1-CE2 4.38Å; Y16-F20 HydrophobicContact CD1-CG 4.28Å; Y16-F20 HydrophobicContact CE1-CD2 4.24Å; Y16-F20 HydrophobicContact CE1-CE2 4.47Å; Y16-F20 CarbonylContact O-C 3.53Å; Y16-F20 VanDerWaalsContact O-C 3.28Å; Y16-F20 WeakPolarHBondContact O-CA 3.36Å; Y16-F20 WeakPolarHBondContact O-CB 3.39Å; Y16-F20 PolarHBondContact O-N 3.25Å; Y16-S21 PolarHBondContact O-N 3.26Å; Y16-F22 HydrophobicContact CD1-CE2 4.27Å; Y16-F22 WeakPolarHBondContact O-CD2 3.37Å; Y16-F22 PolarHBondContact O-N 2.91Å; Y16-V135 PolarHBondContact OH-O 3.29Å; Y16-P136 HydrophobicContact CD1-CG 4.13Å; Y16-P136 HydrophobicContact CD2-CB 3.8Å; Y16-P136 HydrophobicContact CD2-CG 3.67Å; Y16-P136 HydrophobicContact CE1-CG 4.24Å; Y16-P136 HydrophobicContact CE2-CB 3.54Å; Y16-P136 HydrophobicContact CE2-CG 3.76Å; Y16-P136 HydrophobicContact CG-CB 4.48Å; Y16-P136 HydrophobicContact CG-CG 3.86Å; Y16-P150 WeakPolarHBondContact OH-CA 3.48Å
17K95.9Very high95.5Very high69 Ų6967.1 Ų67.130%0.331%0.306SS..Hα-helixtrans-60.4-48.4173.9-74.4-166.7173.6-173.60112.3I13 N14 S21 F22 E24I13-K17 HydrophobicContact CG2-CD 4.36Å; I13-K17 HydrophobicContact CG2-CG 4.27Å; I13-K17 WeakPolarHBondContact O-CG 3.37Å; I13-K17 PolarHBondContact O-N 3.27Å; N14-K17 PolarHBondContact O-N 3.4Å; K17-S21 WeakPolarHBondContact O-CA 3.47Å; K17-S21 PolarHBondContact O-N 2.96Å; K17-F22 HydrophobicContact CG-CB 4.47Å; K17-E24 IonicContact NZ-OE1 2.71Å; K17-E24 PolarHBondContact NZ-OE1 3.16Å
18Y94.4Very high95.7Very high181 Ų18159 Ų5971%0.7127%0.271SS*.Hα-helixtrans-78-43.2-174.9-66-52.5000113.5N14N14-Y18 HydrophobicContact CB-CD2 4.33Å; N14-Y18 HydrophobicContact CB-CE2 4.1Å; N14-Y18 WeakPolarHBondContact O-CD2 3.41Å; N14-Y18 PolarHBondContact O-N 3.28Å
19N93.9Very high96Very high64 Ų6455.3 Ų55.334%0.34225%0.254SS..Hα-helixtrans-90.9-33.4-173.3-58.9-71.6000113.4F15 V158F15-N19 VanDerWaalsContact CD2-ND2 3.32Å; F15-N19 WeakPolarHBondContact CD2-ND2 3.41Å; F15-N19 WeakPolarHBondContact O-CB 3.49Å; F15-N19 PolarHBondContact O-N 3.17Å; F15-N19 VanDerWaalsContact O-N 3.08Å; F15-N19 PolarHBondContact O-ND2 3Å; N19-V158 HydrophobicContact CB-CG1 4.39Å; N19-V158 HydrophobicContact CB-CG2 3.53Å; N19-V158 WeakPolarHBondContact OD1-CG1 3.47Å
20F94.1Very high96.1Very high24 Ų2455.3 Ų55.311%0.10525%0.254CS..SBendtrans-114.319.6-176.2-65.3-85.6000112.3F15 Y16 F22 H115 P133 G134 H157 V158F15-F20 HydrophobicContact CE1-CD2 4.11Å; F15-F20 AromaticContact CE1-CE2 3.7Å; F15-F20 HydrophobicContact CE1-CE2 3.7Å; F15-F20 AromaticContact CZ-CE2 3.94Å; F15-F20 HydrophobicContact CZ-CE2 3.94Å; Y16-F20 HydrophobicContact CD1-CB 4.41Å; Y16-F20 AromaticContact CD1-CD2 3.73Å; Y16-F20 HydrophobicContact CD1-CD2 3.73Å; Y16-F20 HydrophobicContact CD1-CE2 4.38Å; Y16-F20 HydrophobicContact CD1-CG 4.28Å; Y16-F20 HydrophobicContact CE1-CD2 4.24Å; Y16-F20 HydrophobicContact CE1-CE2 4.47Å; Y16-F20 CarbonylContact O-C 3.53Å; Y16-F20 VanDerWaalsContact O-C 3.28Å; Y16-F20 WeakPolarHBondContact O-CA 3.36Å; Y16-F20 WeakPolarHBondContact O-CB 3.39Å; Y16-F20 PolarHBondContact O-N 3.25Å; F20-F22 HydrophobicContact CB-CD2 3.68Å; F20-F22 HydrophobicContact CB-CE2 3.74Å; F20-F22 WeakPolarHBondContact O-CD2 3.39Å; F20-F22 PolarHBondContact O-N 3.11Å; F20-H115 PolarHBondContact O-CD2 3.39Å; F20-H115 PolarHBondContact O-NE2 3.03Å; F20-P133 HydrophobicContact CE1-CB 4.14Å; F20-P133 HydrophobicContact CZ-CB 4.31Å; F20-G134 VanDerWaalsContact CD1-CA 3.42Å; F20-G134 VanDerWaalsContact CE1-CA 3.47Å; F20-H157 AromaticContact CE1-CD2 3.53Å; F20-H157 HydrophobicContact CZ-CB 4.47Å; F20-H157 AromaticContact CZ-CD2 3.7Å; F20-V158 HydrophobicContact CD2-CG2 4.5Å; F20-V158 HydrophobicContact CE2-CG2 3.61Å; F20-V158 HydrophobicContact CZ-CG2 3.87Å
21S93.7Very high96.2Very high66 Ų6650.1 Ų50.146%0.46223%0.232SC..  trans54.320.7173.6-64.40000116.7Y16 K17 R23Y16-S21 PolarHBondContact O-N 3.26Å; K17-S21 WeakPolarHBondContact O-CA 3.47Å; K17-S21 PolarHBondContact O-N 2.96Å; S21-R23 WeakPolarHBondContact O-CG 3.21Å
22F96.1Very high96.2Very high9 Ų943 Ų434%0.03920%0.203CC..  trans-59.4138.7-178.4-86.6-108.2000112.3Y16 K17 F20 H115 F117 G134 P136Y16-F22 HydrophobicContact CD1-CE2 4.27Å; Y16-F22 WeakPolarHBondContact O-CD2 3.37Å; Y16-F22 PolarHBondContact O-N 2.91Å; K17-F22 HydrophobicContact CG-CB 4.47Å; F20-F22 HydrophobicContact CB-CD2 3.68Å; F20-F22 HydrophobicContact CB-CE2 3.74Å; F20-F22 WeakPolarHBondContact O-CD2 3.39Å; F20-F22 PolarHBondContact O-N 3.11Å; F22-H115 HydrophobicContact CD1-CB 3.86Å; F22-H115 HydrophobicContact CD2-CB 4.28Å; F22-H115 VanDerWaalsContact CE1-C 3.41Å; F22-H115 HydrophobicContact CE1-CB 3.78Å; F22-H115 WeakPolarHBondContact CE1-O 3.49Å; F22-H115 HydrophobicContact CE2-CB 4.18Å; F22-H115 HydrophobicContact CG-CB 4.13Å; F22-H115 HydrophobicContact CZ-CB 3.94Å; F22-F117 HydrophobicContact CD1-CD2 4.06Å; F22-F117 AromaticContact CD1-CE2 3.58Å; F22-F117 HydrophobicContact CD1-CE2 3.58Å; F22-F117 HydrophobicContact CD1-CZ 4.49Å; F22-F117 AromaticContact CE1-CD2 3.81Å; F22-F117 HydrophobicContact CE1-CD2 3.81Å; F22-F117 AromaticContact CE1-CE2 3.76Å; F22-F117 HydrophobicContact CE1-CE2 3.76Å; F22-G134 WeakPolarHBondContact CE2-O 3.35Å; F22-G134 WeakPolarHBondContact CZ-O 3.19Å; F22-P136 HydrophobicContact CD1-CG 4.45Å; F22-P136 HydrophobicContact CE1-CG 3.66Å; F22-P136 HydrophobicContact CE2-CG 4.4Å; F22-P136 HydrophobicContact CZ-CG 3.64Å
23R95.2Very high96.1Very high194 Ų19445.4 Ų45.473%0.73222%0.217SC*.  trans-128163.7-179.2-57.4-178.8-167.8-173.40.4110.9S21 F26S21-R23 WeakPolarHBondContact O-CG 3.21Å; R23-F26 WeakPolarHBondContact O-CD1 3.34Å
24E94.8Very high96.2Very high78 Ų7845 Ų4536%0.36422%0.215SC..SBendtrans-92.2149.8171-73.9170.7-123.900110K17 F26 G55 E56K17-E24 IonicContact NZ-OE1 2.71Å; K17-E24 PolarHBondContact NZ-OE1 3.16Å; E24-F26 HydrophobicContact CG-CD1 4Å; E24-F26 HydrophobicContact CG-CD2 4Å; E24-F26 HydrophobicContact CG-CE1 3.63Å; E24-F26 HydrophobicContact CG-CE2 3.63Å; E24-F26 HydrophobicContact CG-CG 4.18Å; E24-F26 HydrophobicContact CG-CZ 3.43Å; E24-F26 VanDerWaalsContact CG-CZ 3.43Å; E24-G55 WeakPolarHBondContact OE2-CA 3.34Å; E24-E56 HydrophobicContact CB-CB 4.5Å; E24-E56 PolarHBondContact OE2-N 3.01Å
25P96.6Very high96.2Very high56 Ų5642.4 Ų42.436%0.36420%0.201SC..SBendcis-72.1134.7-230.5-35.8000112.5Q27 E56 Q58P25-Q27 PolarHBondContact O-N 3.33Å; P25-E56 CarbonylContact C-O 3.59Å; P25-E56 WeakPolarHBondContact CA-O 3.31Å; P25-E56 HydrophobicContact CB-CB 3.92Å; P25-Q58 HydrophobicContact CB-CB 4.42Å
26F97.2Very high96.1Very high2 Ų243.9 Ų43.91%0.00921%0.209CC..EExtended strand (participates in β ladder)trans-66.4117.3-179-58.3-55000110.7I13 R23 E24 I28 L53 E56 I57 Q58 F117I13-F26 HydrophobicContact CG2-CE1 4.25Å; I13-F26 HydrophobicContact CG2-CE2 4.31Å; I13-F26 HydrophobicContact CG2-CZ 3.62Å; R23-F26 WeakPolarHBondContact O-CD1 3.34Å; E24-F26 HydrophobicContact CG-CD1 4Å; E24-F26 HydrophobicContact CG-CD2 4Å; E24-F26 HydrophobicContact CG-CE1 3.63Å; E24-F26 HydrophobicContact CG-CE2 3.63Å; E24-F26 HydrophobicContact CG-CG 4.18Å; E24-F26 HydrophobicContact CG-CZ 3.43Å; E24-F26 VanDerWaalsContact CG-CZ 3.43Å; F26-I28 PolarHBondContact O-N 2.89Å; F26-L53 HydrophobicContact CD2-CB 4.4Å; F26-L53 HydrophobicContact CD2-CD1 4.46Å; F26-L53 HydrophobicContact CE2-CB 4.48Å; F26-E56 WeakPolarHBondContact CD2-O 3.35Å; F26-E56 PolarHBondContact N-O 2.98Å; F26-I57 HydrophobicContact CB-CG2 4.38Å; F26-I57 HydrophobicContact CD2-CG2 4.27Å; F26-I57 CarbonylContact O-C 3.58Å; F26-I57 WeakPolarHBondContact O-CA 3.48Å; F26-Q58 PolarHBondContact O-N 2.89Å; F26-F117 HydrophobicContact CB-CD2 4Å; F26-F117 HydrophobicContact CB-CE2 3.78Å; F26-F117 HydrophobicContact CB-CZ 4.45Å; F26-F117 HydrophobicContact CD1-CD2 4.49Å; F26-F117 AromaticContact CD1-CE2 3.53Å; F26-F117 HydrophobicContact CD1-CE2 3.53Å; F26-F117 AromaticContact CD1-CZ 3.99Å; F26-F117 HydrophobicContact CD1-CZ 3.99Å; F26-F117 HydrophobicContact CE1-CE2 4.25Å; F26-F117 HydrophobicContact CE1-CZ 4.35Å; F26-F117 HydrophobicContact CG-CD2 4.46Å; F26-F117 AromaticContact CG-CE2 3.74Å; F26-F117 HydrophobicContact CG-CE2 3.74Å; F26-F117 HydrophobicContact CG-CZ 4.11Å
27Q97.1Very high96.1Very high40 Ų4044.4 Ų44.419%0.18721%0.214CC..EExtended strand (participates in β ladder)trans-78.4117.6177.6-59.2-179.2100.100109.5P25 Q58 H114 Y116 F117P25-Q27 PolarHBondContact O-N 3.33Å; Q27-Q58 HydrophobicContact CG-CB 4.46Å; Q27-H114 PolarHBondContact NE2-O 3.11Å; Q27-Y116 HydrophobicContact CB-CD1 3.58Å; Q27-Y116 HydrophobicContact CB-CE1 3.82Å; Q27-Y116 WeakPolarHBondContact O-CA 3.45Å; Q27-F117 PolarHBondContact O-N 2.84Å
28I97.9Very high96.1Very high0 Ų041.1 Ų41.10%020%0.199CC..EExtended strand (participates in β ladder)trans-114.3111.6-177.6-45.6-178.1000109.4F26 I30 M49 L53 I57 Q58 L59 C60 F117 A119 L138F26-I28 PolarHBondContact O-N 2.89Å; I28-I30 HydrophobicContact CG2-CG1 4.09Å; I28-M49 HydrophobicContact CD1-CE 4.33Å; I28-M49 HydrophobicContact CD1-CG 3.55Å; I28-M49 HydrophobicContact CD1-SD 4.11Å; I28-L53 HydrophobicContact CD1-CD1 3.63Å; I28-I57 HydrophobicContact CD1-CB 4.13Å; I28-I57 HydrophobicContact CD1-CD1 4.23Å; I28-I57 HydrophobicContact CD1-CG2 4.16Å; I28-Q58 PolarHBondContact N-O 3.42Å; I28-L59 HydrophobicContact CB-CD2 4.19Å; I28-L59 HydrophobicContact CD1-CD2 3.96Å; I28-L59 HydrophobicContact CG1-CD2 4.39Å; I28-C60 WeakPolarHBondContact O-CA 3.26Å; I28-C60 WeakPolarHBondContact O-CB 3.19Å; I28-C60 PolarHBondContact O-N 3.3Å; I28-F117 CarbonylContact C-O 3.6Å; I28-F117 WeakPolarHBondContact CA-O 3.43Å; I28-F117 HydrophobicContact CB-CB 4.32Å; I28-F117 HydrophobicContact CG1-CB 4.07Å; I28-F117 HydrophobicContact CG2-CB 4.13Å; I28-A119 HydrophobicContact CG2-CB 3.98Å; I28-L138 HydrophobicContact CD1-CD1 4.24Å; I28-L138 HydrophobicContact CG2-CD1 3.99Å
29L97.8Very high96.2Very high0 Ų035.8 Ų35.80%018%0.182CC..EExtended strand (participates in β ladder)trans-76.4120.4169.4-66.8175.2000109.3C60 R89 L104 M107 Y116 F117 A119L29-C60 HydrophobicContact CD2-CB 4.02Å; L29-R89 HydrophobicContact CD2-CG 4.24Å; L29-L104 HydrophobicContact CB-CD2 3.79Å; L29-L104 HydrophobicContact CD1-CD2 3.93Å; L29-L104 HydrophobicContact CG-CD2 4.39Å; L29-M107 HydrophobicContact CD1-CB 4.34Å; L29-Y116 HydrophobicContact CD1-CD1 4.07Å; L29-Y116 HydrophobicContact CD1-CD2 3.67Å; L29-Y116 HydrophobicContact CD1-CE2 4.18Å; L29-Y116 HydrophobicContact CD1-CG 3.61Å; L29-Y116 HydrophobicContact CD2-CD1 4.12Å; L29-Y116 HydrophobicContact CD2-CE1 4.08Å; L29-Y116 HydrophobicContact CD2-CG 4.49Å; L29-Y116 HydrophobicContact CG-CD1 3.71Å; L29-Y116 HydrophobicContact CG-CD2 4.25Å; L29-Y116 HydrophobicContact CG-CE1 4.19Å; L29-Y116 HydrophobicContact CG-CG 3.76Å; L29-F117 PolarHBondContact N-O 3.01Å; L29-A119 PolarHBondContact O-N 2.69Å
30I97.9Very high96.2Very high1 Ų141.4 Ų41.41%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-112.6140.2178-56.4178.2000109.5I28 F34 I45 L59 C60 T61 L83 F86 A119I28-I30 HydrophobicContact CG2-CG1 4.09Å; I30-F34 HydrophobicContact CG2-CB 4.22Å; I30-F34 HydrophobicContact CG2-CD1 3.9Å; I30-F34 HydrophobicContact CG2-CG 4.42Å; I30-I45 HydrophobicContact CD1-CG2 3.92Å; I30-L59 HydrophobicContact CD1-CB 4.39Å; I30-L59 HydrophobicContact CD1-CD1 4.41Å; I30-L59 HydrophobicContact CD1-CD2 3.88Å; I30-L59 HydrophobicContact CD1-CG 4.46Å; I30-C60 PolarHBondContact N-O 3.41Å; I30-T61 PolarHBondContact O-OG1 2.94Å; I30-L83 HydrophobicContact CB-CD1 4.17Å; I30-L83 HydrophobicContact CG2-CD1 3.9Å; I30-F86 HydrophobicContact CB-CD2 4.17Å; I30-F86 HydrophobicContact CB-CE2 4.22Å; I30-F86 HydrophobicContact CD1-CD2 3.81Å; I30-F86 HydrophobicContact CD1-CE2 3.46Å; I30-F86 VanDerWaalsContact CD1-CE2 3.46Å; I30-F86 HydrophobicContact CD1-CZ 4.05Å; I30-F86 HydrophobicContact CG1-CD2 4.46Å; I30-F86 HydrophobicContact CG1-CE2 4.39Å; I30-F86 HydrophobicContact CG2-CD2 4.47Å; I30-F86 HydrophobicContact CG2-CE2 4.1Å; I30-A119 HydrophobicContact CG1-CB 4.03Å
31D96.4Very high96.3Very high7 Ų742.1 Ų42.14%0.03721%0.209CC..  trans-104.8179174.276.8-9000113.6T33 F34 C35 L104 A119 T120D31-T33 VanDerWaalsContact CG-OG1 3.22Å; D31-T33 PolarHBondContact OD1-N 3.31Å; D31-T33 VanDerWaalsContact OD1-N 3.16Å; D31-T33 PolarHBondContact OD1-OG1 3.03Å; D31-T33 VanDerWaalsContact OD1-OG1 3.07Å; D31-T33 PolarHBondContact OD2-OG1 3.48Å; D31-F34 WeakPolarHBondContact OD1-CB 3.19Å; D31-F34 PolarHBondContact OD1-N 3.18Å; D31-C35 PolarHBondContact O-N 2.73Å; D31-L104 HydrophobicContact CB-CD1 4.08Å; D31-A119 PolarHBondContact N-O 3.26Å; D31-T120 WeakPolarHBondContact OD2-CB 3.48Å; D31-T120 PolarHBondContact OD2-OG1 3.5Å
32G96Very high96.4Very high7 Ų748 Ų487%0.07223%0.226CC..Hα-helixtrans-67.4-33174.800000114.2C35 Q36G32-C35 PolarHBondContact O-N 2.93Å; G32-Q36 WeakPolarHBondContact O-CB 3.11Å; G32-Q36 PolarHBondContact O-N 3.16Å
33T96Very high96.3Very high52 Ų5248 Ų4832%0.31923%0.227SC..Hα-helixtrans-69.4-40.8-175.176.60000111.8D31 Q36 A37 T120 Q121D31-T33 VanDerWaalsContact CG-OG1 3.22Å; D31-T33 PolarHBondContact OD1-N 3.31Å; D31-T33 VanDerWaalsContact OD1-N 3.16Å; D31-T33 PolarHBondContact OD1-OG1 3.03Å; D31-T33 VanDerWaalsContact OD1-OG1 3.07Å; D31-T33 PolarHBondContact OD2-OG1 3.48Å; T33-Q36 PolarHBondContact O-N 3.29Å; T33-A37 WeakPolarHBondContact O-CB 3.48Å; T33-A37 PolarHBondContact O-N 2.98Å; T33-T120 PolarHBondContact OG1-OG1 3.24Å; T33-Q121 PolarHBondContact OG1-N 3.45Å
34F97.5Very high96.3Very high0 Ų044.4 Ų44.40%022%0.218CC..Hα-helixtrans-67.7-41.7174-170.1-86.6000111.6I30 D31 A37 A38 I45 M49 A119 L138 I140 M145I30-F34 HydrophobicContact CG2-CB 4.22Å; I30-F34 HydrophobicContact CG2-CD1 3.9Å; I30-F34 HydrophobicContact CG2-CG 4.42Å; D31-F34 WeakPolarHBondContact OD1-CB 3.19Å; D31-F34 PolarHBondContact OD1-N 3.18Å; F34-A37 PolarHBondContact O-N 3.2Å; F34-A38 WeakPolarHBondContact O-CB 3.33Å; F34-A38 PolarHBondContact O-N 3.2Å; F34-I45 HydrophobicContact CD1-CD1 4.08Å; F34-I45 HydrophobicContact CE1-CD1 4.06Å; F34-I45 HydrophobicContact CE1-CG1 4.27Å; F34-M49 HydrophobicContact CE1-CE 3.97Å; F34-M49 HydrophobicContact CZ-CE 3.79Å; F34-A119 HydrophobicContact CD1-CB 4.09Å; F34-A119 HydrophobicContact CD2-CB 3.79Å; F34-A119 HydrophobicContact CE1-CB 4.13Å; F34-A119 HydrophobicContact CE2-CB 3.82Å; F34-A119 HydrophobicContact CG-CB 3.93Å; F34-A119 HydrophobicContact CZ-CB 4Å; F34-L138 HydrophobicContact CE2-CB 4.44Å; F34-I140 HydrophobicContact CD1-CD1 4.18Å; F34-I140 HydrophobicContact CD2-CD1 4.05Å; F34-I140 HydrophobicContact CD2-CG1 4.13Å; F34-I140 HydrophobicContact CE1-CD1 3.99Å; F34-I140 HydrophobicContact CE2-CD1 3.86Å; F34-I140 HydrophobicContact CE2-CG1 3.65Å; F34-I140 HydrophobicContact CG-CD1 4.2Å; F34-I140 HydrophobicContact CZ-CD1 3.83Å; F34-I140 HydrophobicContact CZ-CG1 3.88Å; F34-M145 HydrophobicContact CE1-SD 4.1Å; F34-M145 HydrophobicContact CZ-CG 3.85Å; F34-M145 HydrophobicContact CZ-SD 3.75Å
35C96.8Very high96.4Very high0 Ų041 Ų410%020%0.202CC..Hα-helixtrans-62.2-41.2173.8-80.20000112.7D31 G32 A38 L39 A79 L83D31-C35 PolarHBondContact O-N 2.73Å; G32-C35 PolarHBondContact O-N 2.93Å; C35-A38 PolarHBondContact O-N 3.33Å; C35-L39 PolarHBondContact O-N 3.21Å; C35-A79 HydrophobicContact CB-CB 3.87Å; C35-L83 VanDerWaalsContact SG-CD1 3.58Å
36Q95.9Very high96.3Very high69 Ų6946.5 Ų46.532%0.32222%0.22SC..Hα-helixtrans-67.2-40176.1-173.168.2-8.400112.1G32 T33 L39 K40 L76 A79G32-Q36 WeakPolarHBondContact O-CB 3.11Å; G32-Q36 PolarHBondContact O-N 3.16Å; T33-Q36 PolarHBondContact O-N 3.29Å; Q36-L39 PolarHBondContact O-N 2.88Å; Q36-K40 PolarHBondContact O-N 3.23Å; Q36-L76 HydrophobicContact CB-CD2 4.24Å; Q36-L76 VanDerWaalsContact CD-CD2 3.44Å; Q36-L76 HydrophobicContact CG-CD2 3.67Å; Q36-A79 HydrophobicContact CB-CB 4.1Å
37A96.4Very high96.1Very high14 Ų1450.9 Ų50.912%0.11624%0.241CC..Hα-helixtrans-66.7-35.9173.700000112.5T33 F34 N41 Q121 I140T33-A37 WeakPolarHBondContact O-CB 3.48Å; T33-A37 PolarHBondContact O-N 2.98Å; F34-A37 PolarHBondContact O-N 3.2Å; A37-N41 PolarHBondContact O-N 2.81Å; A37-N41 VanDerWaalsContact O-N 3.16Å; A37-N41 PolarHBondContact O-ND2 2.86Å; A37-Q121 HydrophobicContact CB-CG 3.7Å; A37-I140 HydrophobicContact CB-CB 4.37Å; A37-I140 HydrophobicContact CB-CD1 4.07Å; A37-I140 HydrophobicContact CB-CG2 4.5Å
38A96.9Very high96Very high0 Ų052.4 Ų52.40%025%0.248CC..Hα-helixtrans-64.1-42.7174.100000111.6F34 C35 N41 K42 I43 I45 I140F34-A38 WeakPolarHBondContact O-CB 3.33Å; F34-A38 PolarHBondContact O-N 3.2Å; C35-A38 PolarHBondContact O-N 3.33Å; A38-N41 CarbonylContact O-C 3.57Å; A38-N41 PolarHBondContact O-N 3.35Å; A38-K42 PolarHBondContact O-N 3.37Å; A38-I43 HydrophobicContact CB-CB 4.21Å; A38-I43 PolarHBondContact O-N 3.4Å; A38-I45 HydrophobicContact CB-CD1 3.7Å; A38-I45 HydrophobicContact CB-CG1 3.73Å; A38-I140 HydrophobicContact CB-CD1 3.88Å
39L95.3Very high95.8Very high68 Ų6852.4 Ų52.436%0.35625%0.248SC..Hα-helixtrans-60.6-52.7174.2-80.9158.4000112.5C35 Q36 N41 K42 A79 I82C35-L39 PolarHBondContact O-N 3.21Å; Q36-L39 PolarHBondContact O-N 2.88Å; L39-N41 PolarHBondContact O-N 2.92Å; L39-K42 PolarHBondContact O-N 3.45Å; L39-A79 HydrophobicContact CD1-CB 4.17Å; L39-I82 HydrophobicContact CD1-CD1 3.94Å; L39-I82 HydrophobicContact CD2-CD1 3.71Å; L39-I82 HydrophobicContact CG-CD1 3.61Å
40K95.1Very high95.7Very high182 Ų18254.4 Ų54.479%0.79126%0.261SS*.Hα-helixtrans-55.4-38.5-179.1-174.8173.7-179.5176.30112.3Q36Q36-K40 PolarHBondContact O-N 3.23Å
41N95.7Very high95.5Very high40 Ų4060.8 Ų60.821%0.21429%0.289CS..THydrogen-bonded Turntrans-97.710.4-178.7-58.1-67.2000113.8A37 A38 L39 I43 L142A37-N41 PolarHBondContact O-N 2.81Å; A37-N41 VanDerWaalsContact O-N 3.16Å; A37-N41 PolarHBondContact O-ND2 2.86Å; A38-N41 CarbonylContact O-C 3.57Å; A38-N41 PolarHBondContact O-N 3.35Å; L39-N41 PolarHBondContact O-N 2.92Å; N41-I43 VanDerWaalsContact C-N 3.27Å; N41-I43 HydrophobicContact CB-CD1 3.97Å; N41-I43 HydrophobicContact CB-CG1 4.08Å; N41-I43 PolarHBondContact O-N 3.35Å; N41-L142 WeakPolarHBondContact CB-O 3.41Å; N41-L142 PolarHBondContact ND2-O 3.05Å; N41-L142 PolarHBondContact OD1-O 3.22Å
42K95Very high95.4Very high188 Ų18860.9 Ų60.982%0.81729%0.289SS*.THydrogen-bonded Turntrans54.435.1179-55.7-178.9-178.5179.90114.5A38 L39A38-K42 PolarHBondContact O-N 3.37Å; L39-K42 PolarHBondContact O-N 3.45Å
43I95.6Very high95.4Very high11 Ų1160.8 Ų60.86%0.05629%0.286CS..  trans-86.4118.4-178.7-63172.8000110.4A38 N41 I45 I140 M145A38-I43 HydrophobicContact CB-CB 4.21Å; A38-I43 PolarHBondContact O-N 3.4Å; N41-I43 VanDerWaalsContact C-N 3.27Å; N41-I43 HydrophobicContact CB-CD1 3.97Å; N41-I43 HydrophobicContact CB-CG1 4.08Å; N41-I43 PolarHBondContact O-N 3.35Å; I43-I45 PolarHBondContact O-N 3Å; I43-I45 VanDerWaalsContact O-N 3.15Å; I43-I140 HydrophobicContact CD1-CD1 4.14Å; I43-I140 HydrophobicContact CD1-CG1 4.19Å; I43-I140 HydrophobicContact CD1-CG2 3.61Å; I43-M145 HydrophobicContact CG2-CE 3.95Å; I43-M145 HydrophobicContact CG2-CG 4.05Å; I43-M145 HydrophobicContact CG2-SD 3.96Å
44Q94.9Very high95.2Very high117 Ų11763.3 Ų63.355%0.54730%0.296SS..  trans-81.690.8174.7-63.6-153.456.300111.2K46 E47 Q48Q44-K46 PolarHBondContact O-N 3.38Å; Q44-E47 HydrophobicContact CB-CB 4.37Å; Q44-E47 PolarHBondContact O-N 3.01Å; Q44-Q48 WeakPolarHBondContact O-CB 3.39Å; Q44-Q48 WeakPolarHBondContact O-CG 3.42Å; Q44-Q48 PolarHBondContact O-N 3.39Å
45I96.1Very high95Very high6 Ų664.1 Ų64.13%0.03130%0.304CS..Hα-helixtrans-49.9-54.8-175.3-58.8175.3000112I30 F34 A38 I43 E47 Q48 M49 L59 I82 F86I30-I45 HydrophobicContact CD1-CG2 3.92Å; F34-I45 HydrophobicContact CD1-CD1 4.08Å; F34-I45 HydrophobicContact CE1-CD1 4.06Å; F34-I45 HydrophobicContact CE1-CG1 4.27Å; A38-I45 HydrophobicContact CB-CD1 3.7Å; A38-I45 HydrophobicContact CB-CG1 3.73Å; I43-I45 PolarHBondContact O-N 3Å; I43-I45 VanDerWaalsContact O-N 3.15Å; I45-E47 VanDerWaalsContact C-N 3.25Å; I45-E47 PolarHBondContact O-N 3.2Å; I45-Q48 PolarHBondContact O-N 3.03Å; I45-M49 HydrophobicContact CG2-CE 4.25Å; I45-M49 WeakPolarHBondContact O-CB 3.44Å; I45-M49 PolarHBondContact O-N 3.35Å; I45-L59 HydrophobicContact CG2-CD1 3.86Å; I45-I82 HydrophobicContact CD1-CG2 4.21Å; I45-F86 HydrophobicContact CB-CZ 4.35Å; I45-F86 HydrophobicContact CD1-CE2 4.38Å; I45-F86 HydrophobicContact CD1-CZ 4.14Å; I45-F86 HydrophobicContact CG2-CZ 4.13Å
46K94.5Very high95Very high172 Ų17270.4 Ų70.475%0.74833%0.333SS*.Hα-helixtrans-58.3-34-174.9-172.2178.6178.3-177.30113.2Q44 P50 L59Q44-K46 PolarHBondContact O-N 3.38Å; K46-P50 VanDerWaalsContact O-CD 3.26Å; K46-P50 WeakPolarHBondContact O-CD 3.45Å; K46-P50 WeakPolarHBondContact O-CG 3.21Å; K46-L59 HydrophobicContact CB-CD1 4.43Å
47E93.9Very high95Very high94 Ų9468.8 Ų68.844%0.43933%0.327SS..Hα-helixtrans-89.2-39.8179.6-65-164.4-171.400114Q44 I45 K51Q44-E47 HydrophobicContact CB-CB 4.37Å; Q44-E47 PolarHBondContact O-N 3.01Å; I45-E47 VanDerWaalsContact C-N 3.25Å; I45-E47 PolarHBondContact O-N 3.2Å; E47-K51 WeakPolarHBondContact O-CD 3.45Å; E47-K51 WeakPolarHBondContact O-CE 3.4Å; E47-K51 WeakPolarHBondContact O-CG 3.14Å; E47-K51 IonicContact OE2-NZ 2.94Å; E47-K51 PolarHBondContact OE2-NZ 3.2Å
48Q94.4Very high95.1Very high73 Ų7371 Ų7134%0.34134%0.335SS..Hα-helixtrans-85.7-26.3-170.4-65.5-172.427.100112.4Q44 I45 Y52 M145Q44-Q48 WeakPolarHBondContact O-CB 3.39Å; Q44-Q48 WeakPolarHBondContact O-CG 3.42Å; Q44-Q48 PolarHBondContact O-N 3.39Å; I45-Q48 PolarHBondContact O-N 3.03Å; Q48-Y52 VanDerWaalsContact O-CB 3.29Å; Q48-Y52 WeakPolarHBondContact O-CB 3.38Å; Q48-Y52 PolarHBondContact O-N 2.99Å; Q48-M145 HydrophobicContact CB-CE 3.47Å; Q48-M145 VanDerWaalsContact CB-CE 3.47Å
49M94.6Very high95.1Very high0 Ų072.1 Ų72.10%034%0.34CS..Hα-helixtrans-67.6-47.3-179-167.776.985.400112.8I28 F34 I45 K51 Y52 L53 I57 L138 M145I28-M49 HydrophobicContact CD1-CE 4.33Å; I28-M49 HydrophobicContact CD1-CG 3.55Å; I28-M49 HydrophobicContact CD1-SD 4.11Å; F34-M49 HydrophobicContact CE1-CE 3.97Å; F34-M49 HydrophobicContact CZ-CE 3.79Å; I45-M49 HydrophobicContact CG2-CE 4.25Å; I45-M49 WeakPolarHBondContact O-CB 3.44Å; I45-M49 PolarHBondContact O-N 3.35Å; M49-K51 PolarHBondContact O-N 3.15Å; M49-Y52 PolarHBondContact O-N 2.92Å; M49-L53 HydrophobicContact CG-CD1 4.06Å; M49-L53 PolarHBondContact O-N 3.23Å; M49-L53 HydrophobicContact SD-CD1 4.24Å; M49-I57 HydrophobicContact CB-CD1 3.59Å; M49-I57 HydrophobicContact CG-CD1 3.6Å; M49-L138 HydrophobicContact CE-CD1 4.1Å; M49-L138 HydrophobicContact SD-CD1 3.87Å; M49-L138 HydrophobicContact SD-CD2 4.18Å; M49-M145 HydrophobicContact CB-CE 4.14Å; M49-M145 HydrophobicContact CE-SD 3.63Å; M49-M145 HydrophobicContact SD-CE 4.31Å; M49-M145 HydrophobicContact SD-SD 3.96Å
50P95.1Very high95.2Very high41 Ų4168.9 Ų68.927%0.26632%0.323SS..Hα-helixtrans-64.7-43.3176.5-10.322.1000111.3K46 Y52 L53 M54 I57K46-P50 VanDerWaalsContact O-CD 3.26Å; K46-P50 WeakPolarHBondContact O-CD 3.45Å; K46-P50 WeakPolarHBondContact O-CG 3.21Å; P50-Y52 PolarHBondContact O-N 3.41Å; P50-Y52 VanDerWaalsContact O-N 3.13Å; P50-L53 PolarHBondContact O-N 3.27Å; P50-M54 PolarHBondContact O-N 3.34Å; P50-I57 HydrophobicContact CB-CD1 4.35Å; P50-I57 HydrophobicContact CG-CD1 3.6Å; P50-I57 HydrophobicContact CG-CG1 3.99Å
51K94.1Very high95.3Very high136 Ų13660.2 Ų60.259%0.59129%0.286SS*.Hα-helixtrans-60.6-21.4176.5-64.5174-167.1169.60113Q6 E47 M49Q6-K51 PolarHBondContact NE2-O 3.19Å; E47-K51 WeakPolarHBondContact O-CD 3.45Å; E47-K51 WeakPolarHBondContact O-CE 3.4Å; E47-K51 WeakPolarHBondContact O-CG 3.14Å; E47-K51 IonicContact OE2-NZ 2.94Å; E47-K51 PolarHBondContact OE2-NZ 3.2Å; M49-K51 PolarHBondContact O-N 3.15Å
52Y94.6Very high95.4Very high9 Ų958.3 Ų58.34%0.03528%0.276CS..Hα-helixtrans-94-42.8176.9179.2-138000113.3R5 Q6 A9 Q48 M49 P50 M54 L138 M145 L147R5-Y52 HydrophobicContact CG-CE2 3.83Å; R5-Y52 VanDerWaalsContact NH2-CD2 3.35Å; R5-Y52 VanDerWaalsContact NH2-CG 3.32Å; Q6-Y52 HydrophobicContact CG-CD2 4.38Å; A9-Y52 HydrophobicContact CB-CD2 4.32Å; A9-Y52 HydrophobicContact CB-CE2 3.56Å; Q48-Y52 VanDerWaalsContact O-CB 3.29Å; Q48-Y52 WeakPolarHBondContact O-CB 3.38Å; Q48-Y52 PolarHBondContact O-N 2.99Å; M49-Y52 PolarHBondContact O-N 2.92Å; P50-Y52 PolarHBondContact O-N 3.41Å; P50-Y52 VanDerWaalsContact O-N 3.13Å; Y52-M54 VanDerWaalsContact C-N 3.3Å; Y52-L138 HydrophobicContact CE1-CD2 4.35Å; Y52-M145 HydrophobicContact CD1-CB 4.37Å; Y52-M145 WeakPolarHBondContact CE1-O 3.14Å; Y52-L147 HydrophobicContact CE1-CB 4.17Å; Y52-L147 PolarHBondContact OH-N 3.05Å
53L94.6Very high95.4Very high4 Ų450.3 Ų50.32%0.02124%0.243CC..Hα-helixtrans-78.1-13.6178.6-63.3178.8000113.3I13 F26 I28 M49 P50 G55 I57 F117 L138 L147I13-L53 HydrophobicContact CD1-CB 4.01Å; I13-L53 HydrophobicContact CD1-CD2 3.76Å; I13-L53 HydrophobicContact CD1-CG 4.5Å; I13-L53 WeakPolarHBondContact CD1-O 3.36Å; I13-L53 HydrophobicContact CG1-CD2 4.48Å; F26-L53 HydrophobicContact CD2-CB 4.4Å; F26-L53 HydrophobicContact CD2-CD1 4.46Å; F26-L53 HydrophobicContact CE2-CB 4.48Å; I28-L53 HydrophobicContact CD1-CD1 3.63Å; M49-L53 HydrophobicContact CG-CD1 4.06Å; M49-L53 PolarHBondContact O-N 3.23Å; M49-L53 HydrophobicContact SD-CD1 4.24Å; P50-L53 PolarHBondContact O-N 3.27Å; L53-G55 VanDerWaalsContact C-N 3.31Å; L53-G55 PolarHBondContact O-N 3.2Å; L53-I57 HydrophobicContact CD1-CG2 4.02Å; L53-F117 HydrophobicContact CD1-CE1 4.5Å; L53-F117 HydrophobicContact CD2-CE1 4.27Å; L53-L138 HydrophobicContact CD1-CD1 4.43Å; L53-L138 HydrophobicContact CD2-CD2 4.37Å; L53-L147 HydrophobicContact CD2-CD2 4.15Å
54M93.1Very high95.4Very high106 Ų10649.8 Ų49.852%0.52224%0.241SC..THydrogen-bonded Turntrans60.537177.1-51.4-179.264.400113.6Q6 K10 P50 Y52Q6-M54 HydrophobicContact CB-SD 4.45Å; K10-M54 HydrophobicContact CB-SD 4.44Å; K10-M54 HydrophobicContact CD-SD 4.43Å; P50-M54 PolarHBondContact O-N 3.34Å; Y52-M54 VanDerWaalsContact C-N 3.3Å
55G93.1Very high95.5Very high16 Ų1644.4 Ų44.417%0.16522%0.216CC..SBendtrans-166.6175.7-179.100000111.9E24 L53E24-G55 WeakPolarHBondContact OE2-CA 3.34Å; L53-G55 VanDerWaalsContact C-N 3.31Å; L53-G55 PolarHBondContact O-N 3.2Å
56E95.9Very high95.5Very high132 Ų13245.2 Ų45.262%0.61722%0.22SC*.  trans-71.6148.2177.7-63.1-165.216200111.9E24 P25 F26E24-E56 HydrophobicContact CB-CB 4.5Å; E24-E56 PolarHBondContact OE2-N 3.01Å; P25-E56 CarbonylContact C-O 3.59Å; P25-E56 WeakPolarHBondContact CA-O 3.31Å; P25-E56 HydrophobicContact CB-CB 3.92Å; F26-E56 WeakPolarHBondContact CD2-O 3.35Å; F26-E56 PolarHBondContact N-O 2.98Å
57I97.1Very high95.5Very high36 Ų3640.6 Ų40.619%0.18520%0.2CC..EExtended strand (participates in β ladder)trans-138.1148.7-176.974.4177.8000112.1F26 I28 M49 P50 L53 L59F26-I57 HydrophobicContact CB-CG2 4.38Å; F26-I57 HydrophobicContact CD2-CG2 4.27Å; F26-I57 CarbonylContact O-C 3.58Å; F26-I57 WeakPolarHBondContact O-CA 3.48Å; I28-I57 HydrophobicContact CD1-CB 4.13Å; I28-I57 HydrophobicContact CD1-CD1 4.23Å; I28-I57 HydrophobicContact CD1-CG2 4.16Å; M49-I57 HydrophobicContact CB-CD1 3.59Å; M49-I57 HydrophobicContact CG-CD1 3.6Å; P50-I57 HydrophobicContact CB-CD1 4.35Å; P50-I57 HydrophobicContact CG-CD1 3.6Å; P50-I57 HydrophobicContact CG-CG1 3.99Å; L53-I57 HydrophobicContact CD1-CG2 4.02Å; I57-L59 HydrophobicContact CD1-CD2 3.55Å; I57-L59 HydrophobicContact CD1-CG 4.06Å; I57-L59 HydrophobicContact CG1-CD2 4.15Å; I57-L59 HydrophobicContact CG1-CG 4.41Å
58Q97.4Very high95.5Very high61 Ų6139.1 Ų39.129%0.28519%0.193SC..EExtended strand (participates in β ladder)trans-120.998.6174.2-166.1173.92500108.6P25 F26 Q27 I28 C60P25-Q58 HydrophobicContact CB-CB 4.42Å; F26-Q58 PolarHBondContact O-N 2.89Å; Q27-Q58 HydrophobicContact CG-CB 4.46Å; I28-Q58 PolarHBondContact N-O 3.42Å; Q58-C60 PolarHBondContact O-N 3.02Å; Q58-C60 PolarHBondContact O-SG 2.82Å
59L97.8Very high95.6Very high22 Ų2235.8 Ų35.812%0.11518%0.178CC..EExtended strand (participates in β ladder)trans-71.8122.9-179.7-60.5-171.2000110.5I28 I30 I45 K46 I57 F86 Q87I28-L59 HydrophobicContact CB-CD2 4.19Å; I28-L59 HydrophobicContact CD1-CD2 3.96Å; I28-L59 HydrophobicContact CG1-CD2 4.39Å; I30-L59 HydrophobicContact CD1-CB 4.39Å; I30-L59 HydrophobicContact CD1-CD1 4.41Å; I30-L59 HydrophobicContact CD1-CD2 3.88Å; I30-L59 HydrophobicContact CD1-CG 4.46Å; I45-L59 HydrophobicContact CG2-CD1 3.86Å; K46-L59 HydrophobicContact CB-CD1 4.43Å; I57-L59 HydrophobicContact CD1-CD2 3.55Å; I57-L59 HydrophobicContact CD1-CG 4.06Å; I57-L59 HydrophobicContact CG1-CD2 4.15Å; I57-L59 HydrophobicContact CG1-CG 4.41Å; L59-F86 HydrophobicContact CB-CB 4.28Å; L59-F86 HydrophobicContact CB-CD1 3.71Å; L59-F86 HydrophobicContact CB-CE1 4.19Å; L59-F86 HydrophobicContact CB-CG 3.92Å; L59-F86 HydrophobicContact CD1-CD1 3.89Å; L59-F86 HydrophobicContact CD1-CE1 3.49Å; L59-F86 VanDerWaalsContact CD1-CE1 3.49Å; L59-F86 HydrophobicContact CD1-CZ 3.97Å; L59-F86 HydrophobicContact CG-CD1 4.47Å; L59-F86 HydrophobicContact CG-CE1 4.5Å; L59-Q87 PolarHBondContact O-N 3.16Å
60C97.1Very high95.5Very high0 Ų040.2 Ų40.20%020%0.199CC..EExtended strand (participates in β ladder)trans-128.5159-171.6-61.70000111.5I28 L29 I30 Q58 Q87 R89I28-C60 WeakPolarHBondContact O-CA 3.26Å; I28-C60 WeakPolarHBondContact O-CB 3.19Å; I28-C60 PolarHBondContact O-N 3.3Å; L29-C60 HydrophobicContact CD2-CB 4.02Å; I30-C60 PolarHBondContact N-O 3.41Å; Q58-C60 PolarHBondContact O-N 3.02Å; Q58-C60 PolarHBondContact O-SG 2.82Å; C60-Q87 CarbonylContact C-O 3.55Å; C60-Q87 WeakPolarHBondContact CA-O 3.35Å; C60-R89 HydrophobicContact CB-CG 3.91Å; C60-R89 PolarHBondContact SG-NE 3.26Å; C60-R89 PolarHBondContact SG-NH2 2.85Å
61T97.2Very high95.4Very high0 Ų044.3 Ų44.30%022%0.223CC..EExtended strand (participates in β ladder)trans-148.3178.3169.2-1640000110.5I30 L66 L83 Q87 V88 R89I30-T61 PolarHBondContact O-OG1 2.94Å; T61-L66 HydrophobicContact CG2-CD1 4.23Å; T61-L66 HydrophobicContact CG2-CG 4.23Å; T61-L83 HydrophobicContact CG2-CG 4.07Å; T61-L83 WeakPolarHBondContact OG1-CD1 3.37Å; T61-L83 WeakPolarHBondContact OG1-CD2 3.31Å; T61-L83 WeakPolarHBondContact OG1-CG 3.38Å; T61-Q87 PolarHBondContact N-O 2.83Å; T61-V88 HydrophobicContact CG2-CG2 4.25Å; T61-R89 PolarHBondContact O-N 3.17Å
62T96.6Very high95.2Very high1 Ų141.9 Ų41.91%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-110.2155.7177690000111.3C64 A65 L66 M107T62-C64 PolarHBondContact O-N 3.26Å; T62-A65 PolarHBondContact O-N 3.38Å; T62-A65 PolarHBondContact OG1-N 3.47Å; T62-A65 VanDerWaalsContact OG1-N 3.16Å; T62-L66 PolarHBondContact O-N 2.67Å; T62-M107 HydrophobicContact CG2-CG 4.32Å
63S95.6Very high94.8Very high19 Ų1942.9 Ų42.913%0.13323%0.228CC..Hα-helixtrans-63.3-26.8173.555.70000112.5K67 C91S63-K67 WeakPolarHBondContact O-CG 3.48Å; S63-K67 PolarHBondContact O-N 3.21Å; S63-K67 VanDerWaalsContact O-N 3.12Å; S63-C91 PolarHBondContact OG-SG 3.43Å
64C96.4Very high94.4Very high1 Ų152.3 Ų52.31%0.00727%0.269CS..Hα-helixtrans-66.6-47.5173.1-64.70000112.4T62 L66 K67 E68 H93 V98 C103T62-C64 PolarHBondContact O-N 3.26Å; C64-L66 PolarHBondContact O-N 3.2Å; C64-K67 PolarHBondContact O-N 3.12Å; C64-K67 VanDerWaalsContact O-N 3.1Å; C64-E68 WeakPolarHBondContact O-CB 3.3Å; C64-E68 PolarHBondContact O-N 2.74Å; C64-H93 WeakPolarHBondContact SG-CB 3.34Å; C64-V98 WeakPolarHBondContact CB-O 3.49Å; C64-C103 HydrophobicContact CB-CB 3.73Å
65A96.1Very high94.2Very high3 Ų355.4 Ų55.43%0.02528%0.283CS..Hα-helixtrans-62.3-32.2179.100000112.7T62 L69 L83 A100T62-A65 PolarHBondContact O-N 3.38Å; T62-A65 PolarHBondContact OG1-N 3.47Å; T62-A65 VanDerWaalsContact OG1-N 3.16Å; A65-L69 WeakPolarHBondContact O-CG 3.34Å; A65-L69 PolarHBondContact O-N 3.39Å; A65-L83 HydrophobicContact CB-CD2 3.9Å; A65-A100 HydrophobicContact CB-CB 3.85Å
66L95.7Very high94.1Very high23 Ų2356.4 Ų56.412%0.1228%0.284CS..Hα-helixtrans-68.6-45.5171.6-69.3173.8000112.4T61 T62 C64 L69 E70 L83 Q84 V88T61-L66 HydrophobicContact CG2-CD1 4.23Å; T61-L66 HydrophobicContact CG2-CG 4.23Å; T62-L66 PolarHBondContact O-N 2.67Å; C64-L66 PolarHBondContact O-N 3.2Å; L66-L69 PolarHBondContact O-N 3.2Å; L66-E70 WeakPolarHBondContact O-CG 3.35Å; L66-E70 PolarHBondContact O-N 3.45Å; L66-L83 HydrophobicContact CD2-CB 4.08Å; L66-L83 HydrophobicContact CD2-CD2 4.04Å; L66-L83 HydrophobicContact CD2-CG 4.12Å; L66-Q84 HydrophobicContact CD2-CB 4.47Å; L66-Q84 HydrophobicContact CD2-CG 3.65Å; L66-V88 HydrophobicContact CD1-CG2 3.62Å
67K95.3Very high94Very high75 Ų7556.7 Ų56.733%0.32628%0.281SS..Hα-helixtrans-66.7-34.1177.8-72.8178.1179.3-176.60112.8S63 C64 E70 T71 L94 P97S63-K67 WeakPolarHBondContact O-CG 3.48Å; S63-K67 PolarHBondContact O-N 3.21Å; S63-K67 VanDerWaalsContact O-N 3.12Å; C64-K67 PolarHBondContact O-N 3.12Å; C64-K67 VanDerWaalsContact O-N 3.1Å; K67-E70 WeakPolarHBondContact O-CB 3.25Å; K67-E70 PolarHBondContact O-N 2.91Å; K67-T71 PolarHBondContact O-N 3.46Å; K67-T71 PolarHBondContact O-OG1 2.64Å; K67-T71 VanDerWaalsContact O-OG1 3.04Å; K67-L94 PolarHBondContact NZ-O 3.05Å; K67-P97 HydrophobicContact CD-CB 3.84Å; K67-P97 HydrophobicContact CD-CG 3.47Å; K67-P97 VanDerWaalsContact CD-CG 3.47Å
68E94.8Very high93.9Very high63 Ų6356.6 Ų56.629%0.29429%0.288SS..Hα-helixtrans-64.7-48.4173.8-174.4-173.5135.400111.1C64 E70 T71 L72 A100C64-E68 WeakPolarHBondContact O-CB 3.3Å; C64-E68 PolarHBondContact O-N 2.74Å; E68-E70 PolarHBondContact O-N 3.39Å; E68-T71 PolarHBondContact O-N 3.44Å; E68-T71 VanDerWaalsContact O-N 3.12Å; E68-L72 HydrophobicContact CG-CD1 3.95Å; E68-L72 HydrophobicContact CG-CG 4.5Å; E68-L72 WeakPolarHBondContact O-CG 3.47Å; E68-L72 PolarHBondContact O-N 3.07Å; E68-A100 WeakPolarHBondContact OE2-CB 3.3Å; E68-A100 PolarHBondContact OE2-N 3.01Å
69L94.8Very high93.8Very high3 Ų353.7 Ų53.72%0.01628%0.275CS..Hα-helixtrans-64-24.8175-72.7-179000113.4A65 L66 G73 L76 A79 K80 L83A65-L69 WeakPolarHBondContact O-CG 3.34Å; A65-L69 PolarHBondContact O-N 3.39Å; L66-L69 PolarHBondContact O-N 3.2Å; L69-G73 PolarHBondContact O-N 3.46Å; L69-L76 HydrophobicContact CD2-CB 3.68Å; L69-L76 HydrophobicContact CD2-CD1 3.64Å; L69-L76 HydrophobicContact CD2-CG 4.32Å; L69-A79 HydrophobicContact CD1-CB 4.38Å; L69-A79 HydrophobicContact CD2-CB 4.47Å; L69-K80 HydrophobicContact CB-CB 4.13Å; L69-K80 HydrophobicContact CB-CG 4.32Å; L69-K80 HydrophobicContact CD1-CB 4.25Å; L69-L83 HydrophobicContact CD1-CB 4.19Å; L69-L83 HydrophobicContact CD1-CD2 3.58Å
70E93.7Very high93.7Very high94 Ų9454.4 Ų54.444%0.43928%0.277SS..Hα-helixtrans-69.9-46.2170.2-77.9172.6157.700111.8L66 K67 E68 G73 K80L66-E70 WeakPolarHBondContact O-CG 3.35Å; L66-E70 PolarHBondContact O-N 3.45Å; K67-E70 WeakPolarHBondContact O-CB 3.25Å; K67-E70 PolarHBondContact O-N 2.91Å; E68-E70 PolarHBondContact O-N 3.39Å; E70-G73 PolarHBondContact O-N 2.83Å; E70-G73 VanDerWaalsContact O-N 3.16Å; E70-K80 HydrophobicContact CG-CD 3.92Å; E70-K80 WeakPolarHBondContact OE1-CE 3.46Å; E70-K80 IonicContact OE1-NZ 3.41Å; E70-K80 PolarHBondContact OE1-NZ 3.48Å
71T93.1Very high93.6Very high126 Ų12657 Ų5777%0.77329%0.29SS*.Hα-helixtrans-63.4-39.3175.5-54.10000112.5K67 E68 G73K67-T71 PolarHBondContact O-N 3.46Å; K67-T71 PolarHBondContact O-OG1 2.64Å; K67-T71 VanDerWaalsContact O-OG1 3.04Å; E68-T71 PolarHBondContact O-N 3.44Å; E68-T71 VanDerWaalsContact O-N 3.12Å; T71-G73 PolarHBondContact O-N 2.99Å
72L89.6Confident93.6Very high86 Ų8658.8 Ų58.845%0.4530%0.3SS..THydrogen-bonded Turntrans-75-11.6176.5-63.8172.6000113.3E68 L76E68-L72 HydrophobicContact CG-CD1 3.95Å; E68-L72 HydrophobicContact CG-CG 4.5Å; E68-L72 WeakPolarHBondContact O-CG 3.47Å; E68-L72 PolarHBondContact O-N 3.07Å; L72-L76 HydrophobicContact CB-CD1 3.97Å; L72-L76 HydrophobicContact CD1-CD1 3.61Å; L72-L76 HydrophobicContact CG-CD1 4.41Å
73G86.7Confident93.5Very high29 Ų2958.8 Ų58.830%0.29930%0.299SS..G310 helixtrans60.1-137161.800000115.9L69 E70 T71 Q75 L76 Y77L69-G73 PolarHBondContact O-N 3.46Å; E70-G73 PolarHBondContact O-N 2.83Å; E70-G73 VanDerWaalsContact O-N 3.16Å; T71-G73 PolarHBondContact O-N 2.99Å; G73-Q75 VanDerWaalsContact C-N 3.29Å; G73-Q75 PolarHBondContact O-N 3.46Å; G73-L76 PolarHBondContact O-N 2.88Å; G73-Y77 PolarHBondContact O-N 3.37Å
74K86.3Confident93.6Very high202 Ų20262.4 Ų62.488%0.87831%0.314SS*.G310 helixtrans-59.5-32.5-165-66.3-175.8-179178.70114.1L76 Y77K74-L76 VanDerWaalsContact C-N 3.32Å; K74-L76 PolarHBondContact O-N 3.16Å; K74-Y77 PolarHBondContact O-N 3.44Å
75Q87.6Confident93.6Very high171 Ų17171.6 Ų71.680%0.79935%0.349SS*.G310 helixtrans-67-31.9-175.7-63.6-172.36.200113.3G73G73-Q75 VanDerWaalsContact C-N 3.29Å; G73-Q75 PolarHBondContact O-N 3.46Å
76L92.4Very high93.6Very high38 Ų3872.5 Ų72.520%0.19935%0.352CS..G310 helixtrans-113.215.2-178.6-56-178.1000112.7Q36 L69 L72 G73 K74 G78 A79 K80Q36-L76 HydrophobicContact CB-CD2 4.24Å; Q36-L76 VanDerWaalsContact CD-CD2 3.44Å; Q36-L76 HydrophobicContact CG-CD2 3.67Å; L69-L76 HydrophobicContact CD2-CB 3.68Å; L69-L76 HydrophobicContact CD2-CD1 3.64Å; L69-L76 HydrophobicContact CD2-CG 4.32Å; L72-L76 HydrophobicContact CB-CD1 3.97Å; L72-L76 HydrophobicContact CD1-CD1 3.61Å; L72-L76 HydrophobicContact CG-CD1 4.41Å; G73-L76 PolarHBondContact O-N 2.88Å; K74-L76 VanDerWaalsContact C-N 3.32Å; K74-L76 PolarHBondContact O-N 3.16Å; L76-G78 VanDerWaalsContact C-N 3.27Å; L76-G78 PolarHBondContact O-N 2.64Å; L76-A79 WeakPolarHBondContact O-CA 3.35Å; L76-A79 WeakPolarHBondContact O-CB 3.35Å; L76-A79 PolarHBondContact O-N 2.76Å; L76-K80 PolarHBondContact O-N 2.91Å
77Y93.5Very high93.6Very high138 Ų13876.1 Ų76.154%0.54137%0.368SS..Hα-helixtrans-55-40.2-178.3-178.9-103.9000112.9G73 K74 A79 K80 I81G73-Y77 PolarHBondContact O-N 3.37Å; K74-Y77 PolarHBondContact O-N 3.44Å; Y77-A79 VanDerWaalsContact C-N 3.35Å; Y77-A79 PolarHBondContact O-N 2.92Å; Y77-K80 WeakPolarHBondContact O-CB 3.18Å; Y77-K80 PolarHBondContact O-N 3.43Å; Y77-I81 HydrophobicContact CD1-CG1 4.26Å; Y77-I81 HydrophobicContact CE1-CD1 4.33Å; Y77-I81 HydrophobicContact CE1-CG1 3.84Å; Y77-I81 HydrophobicContact CE2-CD1 4.21Å; Y77-I81 HydrophobicContact CE2-CG1 4.28Å; Y77-I81 WeakPolarHBondContact O-CG1 3.11Å; Y77-I81 PolarHBondContact O-N 2.81Å
78G94.3Very high93.7Very high34 Ų3476 Ų7635%0.35137%0.374SS..Hα-helixtrans-59.8-43.5174.200000112.6L76 K80 I81 I82L76-G78 VanDerWaalsContact C-N 3.27Å; L76-G78 PolarHBondContact O-N 2.64Å; G78-K80 VanDerWaalsContact C-N 3.33Å; G78-K80 PolarHBondContact O-N 2.85Å; G78-I81 PolarHBondContact O-N 3.37Å; G78-I82 PolarHBondContact O-N 2.84Å
79A95.8Very high93.7Very high0 Ų075 Ų750%037%0.368CS..Hα-helixtrans-64.1-39.9177.500000110.9C35 Q36 L39 L69 L76 Y77 I81 I82 L83C35-A79 HydrophobicContact CB-CB 3.87Å; Q36-A79 HydrophobicContact CB-CB 4.1Å; L39-A79 HydrophobicContact CD1-CB 4.17Å; L69-A79 HydrophobicContact CD1-CB 4.38Å; L69-A79 HydrophobicContact CD2-CB 4.47Å; L76-A79 WeakPolarHBondContact O-CA 3.35Å; L76-A79 WeakPolarHBondContact O-CB 3.35Å; L76-A79 PolarHBondContact O-N 2.76Å; Y77-A79 VanDerWaalsContact C-N 3.35Å; Y77-A79 PolarHBondContact O-N 2.92Å; A79-I81 PolarHBondContact O-N 2.97Å; A79-I82 PolarHBondContact O-N 2.99Å; A79-L83 WeakPolarHBondContact O-CB 3.44Å; A79-L83 PolarHBondContact O-N 3.39Å
80K95.9Very high93.6Very high36 Ų3684.2 Ų84.216%0.15741%0.407CS..Hα-helixtrans-57.1-49.4173.6-171.3-167.2171.6-175.90111.7L69 E70 L76 Y77 G78 I82 L83 Q84L69-K80 HydrophobicContact CB-CB 4.13Å; L69-K80 HydrophobicContact CB-CG 4.32Å; L69-K80 HydrophobicContact CD1-CB 4.25Å; E70-K80 HydrophobicContact CG-CD 3.92Å; E70-K80 WeakPolarHBondContact OE1-CE 3.46Å; E70-K80 IonicContact OE1-NZ 3.41Å; E70-K80 PolarHBondContact OE1-NZ 3.48Å; L76-K80 PolarHBondContact O-N 2.91Å; Y77-K80 WeakPolarHBondContact O-CB 3.18Å; Y77-K80 PolarHBondContact O-N 3.43Å; G78-K80 VanDerWaalsContact C-N 3.33Å; G78-K80 PolarHBondContact O-N 2.85Å; K80-I82 VanDerWaalsContact C-N 3.26Å; K80-I82 PolarHBondContact O-N 2.85Å; K80-L83 PolarHBondContact O-N 3.2Å; K80-L83 VanDerWaalsContact O-N 3.11Å; K80-Q84 HydrophobicContact CG-CG 4.28Å; K80-Q84 WeakPolarHBondContact O-CB 3.45Å; K80-Q84 WeakPolarHBondContact O-CG 3.35Å; K80-Q84 PolarHBondContact O-N 2.82Å
81I95.3Very high93.6Very high55 Ų5580.2 Ų80.228%0.28239%0.39SS..Hα-helixtrans-63.9-28.4-179.2-65.8-61.6000112.7Y77 G78 A79 R85Y77-I81 HydrophobicContact CD1-CG1 4.26Å; Y77-I81 HydrophobicContact CE1-CD1 4.33Å; Y77-I81 HydrophobicContact CE1-CG1 3.84Å; Y77-I81 HydrophobicContact CE2-CD1 4.21Å; Y77-I81 HydrophobicContact CE2-CG1 4.28Å; Y77-I81 WeakPolarHBondContact O-CG1 3.11Å; Y77-I81 PolarHBondContact O-N 2.81Å; G78-I81 PolarHBondContact O-N 3.37Å; A79-I81 PolarHBondContact O-N 2.97Å; I81-R85 WeakPolarHBondContact O-CG 3.42Å; I81-R85 PolarHBondContact O-NE 2.79Å
82I95.9Very high93.5Very high38 Ų3878.7 Ų78.720%0.19539%0.39CS..Hα-helixtrans-74.2-49.8169.3-68.1-175.1000110.6L39 I45 G78 A79 K80 Q84 R85 F86L39-I82 HydrophobicContact CD1-CD1 3.94Å; L39-I82 HydrophobicContact CD2-CD1 3.71Å; L39-I82 HydrophobicContact CG-CD1 3.61Å; I45-I82 HydrophobicContact CD1-CG2 4.21Å; G78-I82 PolarHBondContact O-N 2.84Å; A79-I82 PolarHBondContact O-N 2.99Å; K80-I82 VanDerWaalsContact C-N 3.26Å; K80-I82 PolarHBondContact O-N 2.85Å; I82-Q84 VanDerWaalsContact C-N 3.3Å; I82-Q84 PolarHBondContact O-N 2.99Å; I82-R85 WeakPolarHBondContact O-CB 3.38Å; I82-R85 PolarHBondContact O-N 3.49Å; I82-F86 HydrophobicContact CG2-CE1 4.4Å; I82-F86 HydrophobicContact CG2-CE2 3.93Å; I82-F86 HydrophobicContact CG2-CZ 3.58Å
83L95.9Very high93.6Very high0 Ų076.9 Ų76.90%038%0.379CS..Hα-helixtrans-63.5-35-173.2-15872.1000112.4I30 C35 T61 A65 L66 L69 A79 K80 R85 F86I30-L83 HydrophobicContact CB-CD1 4.17Å; I30-L83 HydrophobicContact CG2-CD1 3.9Å; C35-L83 VanDerWaalsContact SG-CD1 3.58Å; T61-L83 HydrophobicContact CG2-CG 4.07Å; T61-L83 WeakPolarHBondContact OG1-CD1 3.37Å; T61-L83 WeakPolarHBondContact OG1-CD2 3.31Å; T61-L83 WeakPolarHBondContact OG1-CG 3.38Å; A65-L83 HydrophobicContact CB-CD2 3.9Å; L66-L83 HydrophobicContact CD2-CB 4.08Å; L66-L83 HydrophobicContact CD2-CD2 4.04Å; L66-L83 HydrophobicContact CD2-CG 4.12Å; L69-L83 HydrophobicContact CD1-CB 4.19Å; L69-L83 HydrophobicContact CD1-CD2 3.58Å; A79-L83 WeakPolarHBondContact O-CB 3.44Å; A79-L83 PolarHBondContact O-N 3.39Å; K80-L83 PolarHBondContact O-N 3.2Å; K80-L83 VanDerWaalsContact O-N 3.11Å; L83-R85 PolarHBondContact O-N 3.42Å; L83-R85 VanDerWaalsContact O-N 3.16Å; L83-F86 HydrophobicContact CD1-CD2 3.99Å; L83-F86 HydrophobicContact CD1-CE2 4.32Å; L83-F86 PolarHBondContact O-N 2.82Å; L83-F86 VanDerWaalsContact O-N 3.11Å
84Q96.1Very high93.5Very high96 Ų9680.9 Ų80.945%0.44939%0.393SS..THydrogen-bonded Turntrans-62.1-15.6173.2-76.3-178.2-54.200114.4L66 K80 I82 F86L66-Q84 HydrophobicContact CD2-CB 4.47Å; L66-Q84 HydrophobicContact CD2-CG 3.65Å; K80-Q84 HydrophobicContact CG-CG 4.28Å; K80-Q84 WeakPolarHBondContact O-CB 3.45Å; K80-Q84 WeakPolarHBondContact O-CG 3.35Å; K80-Q84 PolarHBondContact O-N 2.82Å; I82-Q84 VanDerWaalsContact C-N 3.3Å; I82-Q84 PolarHBondContact O-N 2.99Å; Q84-F86 VanDerWaalsContact C-N 3.34Å
85R96Very high93.6Very high194 Ų19480.4 Ų80.473%0.73239%0.391SS*.THydrogen-bonded Turntrans-87.2-3.5176.6-59.6172-177.6-158.6-4.7113.1I81 I82 L83I81-R85 WeakPolarHBondContact O-CG 3.42Å; I81-R85 PolarHBondContact O-NE 2.79Å; I82-R85 WeakPolarHBondContact O-CB 3.38Å; I82-R85 PolarHBondContact O-N 3.49Å; L83-R85 PolarHBondContact O-N 3.42Å; L83-R85 VanDerWaalsContact O-N 3.16Å
86F96.7Very high93.8Very high22 Ų2278.3 Ų78.310%0.09639%0.385CS..SBendtrans-101.1158180-55.6-25.7000111I30 I45 L59 I82 L83 Q84 V88I30-F86 HydrophobicContact CB-CD2 4.17Å; I30-F86 HydrophobicContact CB-CE2 4.22Å; I30-F86 HydrophobicContact CD1-CD2 3.81Å; I30-F86 HydrophobicContact CD1-CE2 3.46Å; I30-F86 VanDerWaalsContact CD1-CE2 3.46Å; I30-F86 HydrophobicContact CD1-CZ 4.05Å; I30-F86 HydrophobicContact CG1-CD2 4.46Å; I30-F86 HydrophobicContact CG1-CE2 4.39Å; I30-F86 HydrophobicContact CG2-CD2 4.47Å; I30-F86 HydrophobicContact CG2-CE2 4.1Å; I45-F86 HydrophobicContact CB-CZ 4.35Å; I45-F86 HydrophobicContact CD1-CE2 4.38Å; I45-F86 HydrophobicContact CD1-CZ 4.14Å; I45-F86 HydrophobicContact CG2-CZ 4.13Å; L59-F86 HydrophobicContact CB-CB 4.28Å; L59-F86 HydrophobicContact CB-CD1 3.71Å; L59-F86 HydrophobicContact CB-CE1 4.19Å; L59-F86 HydrophobicContact CB-CG 3.92Å; L59-F86 HydrophobicContact CD1-CD1 3.89Å; L59-F86 HydrophobicContact CD1-CE1 3.49Å; L59-F86 VanDerWaalsContact CD1-CE1 3.49Å; L59-F86 HydrophobicContact CD1-CZ 3.97Å; L59-F86 HydrophobicContact CG-CD1 4.47Å; L59-F86 HydrophobicContact CG-CE1 4.5Å; I82-F86 HydrophobicContact CG2-CE1 4.4Å; I82-F86 HydrophobicContact CG2-CE2 3.93Å; I82-F86 HydrophobicContact CG2-CZ 3.58Å; L83-F86 HydrophobicContact CD1-CD2 3.99Å; L83-F86 HydrophobicContact CD1-CE2 4.32Å; L83-F86 PolarHBondContact O-N 2.82Å; L83-F86 VanDerWaalsContact O-N 3.11Å; Q84-F86 VanDerWaalsContact C-N 3.34Å; F86-V88 PolarHBondContact O-N 2.95Å
87Q96.8Very high93.8Very high98 Ų9879.8 Ų79.846%0.45840%0.397SS..EExtended strand (participates in β ladder)trans-72.5118.4-174.3-171.3174.29.700111.3L59 C60 T61 R89L59-Q87 PolarHBondContact O-N 3.16Å; C60-Q87 CarbonylContact C-O 3.55Å; C60-Q87 WeakPolarHBondContact CA-O 3.35Å; T61-Q87 PolarHBondContact N-O 2.83Å; Q87-R89 PolarHBondContact O-N 3.5Å
88V96.5Very high93.9Very high73 Ų7374.9 Ų74.944%0.44238%0.381SS..EExtended strand (participates in β ladder)trans-70.8115.9177.3-175.50000110T61 L66 F86T61-V88 HydrophobicContact CG2-CG2 4.25Å; L66-V88 HydrophobicContact CD1-CG2 3.62Å; F86-V88 PolarHBondContact O-N 2.95Å
89R95.3Very high94Very high43 Ų4376 Ų7616%0.16238%0.383CS..EExtended strand (participates in β ladder)trans-83.8141.4169.2-63.3-68.2168.5150.92.2109.6L29 C60 T61 Q87 C91 M107L29-R89 HydrophobicContact CD2-CG 4.24Å; C60-R89 HydrophobicContact CB-CG 3.91Å; C60-R89 PolarHBondContact SG-NE 3.26Å; C60-R89 PolarHBondContact SG-NH2 2.85Å; T61-R89 PolarHBondContact O-N 3.17Å; Q87-R89 PolarHBondContact O-N 3.5Å; R89-C91 PolarHBondContact O-N 2.64Å; R89-M107 HydrophobicContact CB-CE 4.14Å
90K92.6Very high93.9Very high195 Ų19576.3 Ų76.385%0.84839%0.385SS*.PPolyproline II helixtrans-77.2118.8175-62.4-179.3-178.2179.20108.5
91C92.6Very high93.8Very high11 Ų1176.4 Ų76.47%0.07439%0.39CS..PPolyproline II helixtrans-102.8164.7167.558.30000110.2S63 R89 H93 C103 M107S63-C91 PolarHBondContact OG-SG 3.43Å; R89-C91 PolarHBondContact O-N 2.64Å; C91-H93 PolarHBondContact O-N 3.13Å; C91-C103 VanDerWaalsContact SG-SG 3.6Å; C91-M107 HydrophobicContact CB-CG 4.15Å; C91-M107 HydrophobicContact CB-SD 3.57Å; C91-M107 VanDerWaalsContact CB-SD 3.57Å
92A91.6Very high93.8Very high94 Ų9479 Ų7978%0.77740%0.401SS*.G310 helixtrans-59.2-31176.300000112.8L94A92-L94 PolarHBondContact O-N 3.35Å
93H92.7Very high93.8Very high48 Ų4877.2 Ų77.222%0.22239%0.392CS..G310 helixtrans-75.324.9-175.1-53.1127.2000115.1C64 C91 K95 N96 V98 S106C64-H93 WeakPolarHBondContact SG-CB 3.34Å; C91-H93 PolarHBondContact O-N 3.13Å; H93-K95 PolarHBondContact O-N 3.34Å; H93-N96 CarbonylContact C-O 3.57Å; H93-N96 WeakPolarHBondContact CA-O 3.42Å; H93-N96 WeakPolarHBondContact CB-O 3.17Å; H93-N96 CarbonylContact O-C 3.41Å; H93-N96 VanDerWaalsContact O-O 3.12Å; H93-V98 HydrophobicContact CB-CG1 4.5Å; H93-V98 HydrophobicContact CB-CG2 4.07Å; H93-V98 VanDerWaalsContact ND1-CG2 3.31Å; H93-V98 WeakPolarHBondContact ND1-CG2 3.01Å; H93-S106 PolarHBondContact CE1-OG 2.88Å
94L83.9Confident93.8Very high113 Ų11377.4 Ų77.459%0.59239%0.393SS*.G310 helixtrans-64-42-179.3-176.963.6000112.4K67 A92K67-L94 PolarHBondContact NZ-O 3.05Å; A92-L94 PolarHBondContact O-N 3.35Å
95K87.9Confident93.7Very high192 Ų19275.6 Ų75.684%0.83539%0.386SS*.SBendtrans-73.5-58178.6-65.3-174.9179.6-177.30111.4H93 P97H93-K95 PolarHBondContact O-N 3.34Å; K95-P97 WeakPolarHBondContact O-CD 3.29Å
96N91.8Very high93.6Very high126 Ų12669 Ų6967%0.67437%0.369SS*.SBendtrans-109103.3-178.6-62.29000107.7H93H93-N96 CarbonylContact C-O 3.57Å; H93-N96 WeakPolarHBondContact CA-O 3.42Å; H93-N96 WeakPolarHBondContact CB-O 3.17Å; H93-N96 CarbonylContact O-C 3.41Å; H93-N96 VanDerWaalsContact O-O 3.12Å
97P92.4Very high93.5Very high69 Ų6968.9 Ų68.945%0.44837%0.369SS..  trans-69.1135.1179.6-15.731.3000110.7K67 K95K67-P97 HydrophobicContact CD-CB 3.84Å; K67-P97 HydrophobicContact CD-CG 3.47Å; K67-P97 VanDerWaalsContact CD-CG 3.47Å; K95-P97 WeakPolarHBondContact O-CD 3.29Å
98V95.8Very high93.3Very high35 Ų3564.2 Ų64.221%0.21235%0.348CS..  trans-110.5166.3169.8-54.80000109.2C64 H93 E102 C103C64-V98 WeakPolarHBondContact CB-O 3.49Å; H93-V98 HydrophobicContact CB-CG1 4.5Å; H93-V98 HydrophobicContact CB-CG2 4.07Å; H93-V98 VanDerWaalsContact ND1-CG2 3.31Å; H93-V98 WeakPolarHBondContact ND1-CG2 3.01Å; V98-E102 HydrophobicContact CB-CB 4.4Å; V98-E102 HydrophobicContact CG2-CB 4.05Å; V98-C103 HydrophobicContact CG2-CB 3.91Å
99P95.4Very high93Very high59 Ų5966.6 Ų66.638%0.38335%0.354SS..  trans-52.8150.6172-26.936.5000112.8S101 E102 C103P99-S101 PolarHBondContact O-N 3.36Å; P99-E102 PolarHBondContact O-N 3.28Å; P99-C103 WeakPolarHBondContact O-CB 3.41Å; P99-C103 PolarHBondContact O-N 2.98Å
100A94.3Very high92.8Very high5 Ų572.5 Ų72.54%0.04138%0.383CS..Hα-helixtrans-59.3-31.1178.500000112.2A65 E68 C103 L104A65-A100 HydrophobicContact CB-CB 3.85Å; E68-A100 WeakPolarHBondContact OE2-CB 3.3Å; E68-A100 PolarHBondContact OE2-N 3.01Å; A100-C103 PolarHBondContact O-N 3.02Å; A100-L104 WeakPolarHBondContact O-CB 3.36Å; A100-L104 VanDerWaalsContact O-CG 3.25Å; A100-L104 WeakPolarHBondContact O-CG 3.43Å; A100-L104 PolarHBondContact O-N 3.12Å
101S94.8Very high92.5Very high38 Ų3867.2 Ų67.227%0.26637%0.368SS..Hα-helixtrans-59.8-56.717650.10000112.5P99 C103 L104 L105P99-S101 PolarHBondContact O-N 3.36Å; S101-C103 VanDerWaalsContact C-N 3.33Å; S101-C103 PolarHBondContact O-N 3.18Å; S101-L104 PolarHBondContact O-N 3.44Å; S101-L105 WeakPolarHBondContact O-CG 3.27Å; S101-L105 PolarHBondContact O-N 2.91Å
102E95Very high92.7Very high111 Ų11166.8 Ų66.852%0.51936%0.364SS..Hα-helixtrans-61.2-41.9174.4-66.3174.9-162.600111.4V98 P99 L104 L105 S106V98-E102 HydrophobicContact CB-CB 4.4Å; V98-E102 HydrophobicContact CG2-CB 4.05Å; P99-E102 PolarHBondContact O-N 3.28Å; E102-L104 PolarHBondContact O-N 3Å; E102-L105 PolarHBondContact O-N 3.01Å; E102-S106 WeakPolarHBondContact O-CB 3.35Å; E102-S106 PolarHBondContact O-N 3.36Å; E102-S106 PolarHBondContact O-OG 3.03Å
103C95.9Very high92.7Very high0 Ų064.9 Ų64.90%034%0.344CS..Hα-helixtrans-62.6-42.3179.4-170.10000112.2C64 C91 V98 P99 A100 S101 S106 M107C64-C103 HydrophobicContact CB-CB 3.73Å; C91-C103 VanDerWaalsContact SG-SG 3.6Å; V98-C103 HydrophobicContact CG2-CB 3.91Å; P99-C103 WeakPolarHBondContact O-CB 3.41Å; P99-C103 PolarHBondContact O-N 2.98Å; A100-C103 PolarHBondContact O-N 3.02Å; S101-C103 VanDerWaalsContact C-N 3.33Å; S101-C103 PolarHBondContact O-N 3.18Å; C103-S106 WeakPolarHBondContact CA-OG 3.42Å; C103-S106 PolarHBondContact O-N 3Å; C103-S106 PolarHBondContact O-OG 2.98Å; C103-M107 WeakPolarHBondContact O-CB 3.47Å; C103-M107 WeakPolarHBondContact O-CG 3.17Å; C103-M107 PolarHBondContact O-N 3.01Å; C103-M107 VanDerWaalsContact O-N 3.12Å
104L94.8Very high92.8Very high4 Ų467.1 Ų67.12%0.02136%0.355CS..Hα-helixtrans-65.2-45.4177.3-77175.7000111.9L29 D31 A100 S101 E102 S106 M107 L108 V118 V125L29-L104 HydrophobicContact CB-CD2 3.79Å; L29-L104 HydrophobicContact CD1-CD2 3.93Å; L29-L104 HydrophobicContact CG-CD2 4.39Å; D31-L104 HydrophobicContact CB-CD1 4.08Å; A100-L104 WeakPolarHBondContact O-CB 3.36Å; A100-L104 VanDerWaalsContact O-CG 3.25Å; A100-L104 WeakPolarHBondContact O-CG 3.43Å; A100-L104 PolarHBondContact O-N 3.12Å; S101-L104 PolarHBondContact O-N 3.44Å; E102-L104 PolarHBondContact O-N 3Å; L104-S106 VanDerWaalsContact C-N 3.34Å; L104-S106 PolarHBondContact O-N 3.43Å; L104-M107 PolarHBondContact O-N 3.23Å; L104-L108 VanDerWaalsContact O-CD1 3.3Å; L104-L108 WeakPolarHBondContact O-CD1 3.5Å; L104-L108 WeakPolarHBondContact O-CG 3.36Å; L104-V118 HydrophobicContact CD1-CG1 4.18Å; L104-V118 HydrophobicContact CD2-CG1 4.49Å; L104-V125 HydrophobicContact CD1-CG1 4.42Å
105L94.8Very high93.3Very high58 Ų5865.2 Ų65.230%0.30434%0.342SS..Hα-helixtrans-62-43177-66169.9000111S101 E102 M107 L108 E109 L129 I132S101-L105 WeakPolarHBondContact O-CG 3.27Å; S101-L105 PolarHBondContact O-N 2.91Å; E102-L105 PolarHBondContact O-N 3.01Å; L105-M107 PolarHBondContact O-N 2.83Å; L105-L108 PolarHBondContact O-N 3.42Å; L105-E109 PolarHBondContact O-N 3.35Å; L105-L129 HydrophobicContact CD2-CD2 3.9Å; L105-L129 HydrophobicContact CD2-CG 4.25Å; L105-I132 HydrophobicContact CD2-CD1 4.27Å
106S94.7Very high93.8Very high54 Ų5456.6 Ų56.638%0.37831%0.305SS..Hα-helixtrans-63.4-25.7176.775.60000114.6H93 E102 C103 L104 L108H93-S106 PolarHBondContact CE1-OG 2.88Å; E102-S106 WeakPolarHBondContact O-CB 3.35Å; E102-S106 PolarHBondContact O-N 3.36Å; E102-S106 PolarHBondContact O-OG 3.03Å; C103-S106 WeakPolarHBondContact CA-OG 3.42Å; C103-S106 PolarHBondContact O-N 3Å; C103-S106 PolarHBondContact O-OG 2.98Å; L104-S106 VanDerWaalsContact C-N 3.34Å; L104-S106 PolarHBondContact O-N 3.43Å; S106-L108 VanDerWaalsContact C-N 3.3Å
107M93.6Very high94.1Very high21 Ų2150.6 Ų50.610%0.10327%0.272CS..THydrogen-bonded Turntrans-81.6-7.9-179.7-78.6-74-56.400113.5L29 T62 R89 C91 C103 L104 L105 Y116L29-M107 HydrophobicContact CD1-CB 4.34Å; T62-M107 HydrophobicContact CG2-CG 4.32Å; R89-M107 HydrophobicContact CB-CE 4.14Å; C91-M107 HydrophobicContact CB-CG 4.15Å; C91-M107 HydrophobicContact CB-SD 3.57Å; C91-M107 VanDerWaalsContact CB-SD 3.57Å; C103-M107 WeakPolarHBondContact O-CB 3.47Å; C103-M107 WeakPolarHBondContact O-CG 3.17Å; C103-M107 PolarHBondContact O-N 3.01Å; C103-M107 VanDerWaalsContact O-N 3.12Å; L104-M107 PolarHBondContact O-N 3.23Å; L105-M107 PolarHBondContact O-N 2.83Å; M107-Y116 HydrophobicContact CE-CE2 3.9Å
108L92.9Very high94.4Very high0 Ų047.3 Ų47.30%025%0.251CS..THydrogen-bonded Turntrans-111.4-19.2-175.3-62.9162.2000112.8L104 L105 S106 N112 P113 Y116 V118 L129 I132L104-L108 VanDerWaalsContact O-CD1 3.3Å; L104-L108 WeakPolarHBondContact O-CD1 3.5Å; L104-L108 WeakPolarHBondContact O-CG 3.36Å; L105-L108 PolarHBondContact O-N 3.42Å; S106-L108 VanDerWaalsContact C-N 3.3Å; L108-N112 HydrophobicContact CD2-CB 4.46Å; L108-N112 WeakPolarHBondContact CD2-OD1 3.28Å; L108-N112 WeakPolarHBondContact O-CA 3.44Å; L108-N112 PolarHBondContact O-N 2.9Å; L108-P113 WeakPolarHBondContact O-CD 3.43Å; L108-Y116 HydrophobicContact CD2-CD2 4.24Å; L108-V118 HydrophobicContact CD1-CG2 3.8Å; L108-V118 HydrophobicContact CD2-CG2 4.03Å; L108-L129 HydrophobicContact CD1-CD2 3.14Å; L108-I132 HydrophobicContact CB-CD1 4.18Å; L108-I132 HydrophobicContact CD1-CD1 4.49Å
109E91.3Very high94.5Very high123 Ų12345.6 Ų45.658%0.57524%0.241SC*.THydrogen-bonded Turntrans53.2-148.5-179-54.3178.7-178.800111.2L105L105-E109 PolarHBondContact O-N 3.35Å
110E89.3Confident94.6Very high167 Ų16742.8 Ų42.878%0.7822%0.223SC*.THydrogen-bonded Turntrans-84.6-17.4-178.8-62.6-179.3172.300113.9P133E110-P133 WeakPolarHBondContact O-CD 3.33Å
111T88.1Confident94.7Very high84 Ų8445.9 Ų45.952%0.51524%0.236SC..THydrogen-bonded Turntrans-142.79.3-166.1560000115.5
112N95.6Very high94.7Very high1 Ų146.7 Ų46.71%0.00524%0.238CC..  trans53.257-178.9-167.48.9000113.9L108 H114 H115 Y116 G134 V135L108-N112 HydrophobicContact CD2-CB 4.46Å; L108-N112 WeakPolarHBondContact CD2-OD1 3.28Å; L108-N112 WeakPolarHBondContact O-CA 3.44Å; L108-N112 PolarHBondContact O-N 2.9Å; N112-H114 PolarHBondContact O-N 2.88Å; N112-H115 PolarHBondContact O-N 3.41Å; N112-H115 PolarHBondContact OD1-N 3Å; N112-Y116 PolarHBondContact ND2-N 3.39Å; N112-Y116 PolarHBondContact ND2-O 3.32Å; N112-Y116 PolarHBondContact OD1-N 2.96Å; N112-G134 PolarHBondContact ND2-O 2.98Å; N112-V135 HydrophobicContact CB-CG2 3.97Å
113P92.3Very high94.7Very high54 Ų5451.1 Ų51.135%0.35125%0.249SC..THydrogen-bonded Turntrans-62.9-16.9-171.327.9-37.3000114.2L108L108-P113 WeakPolarHBondContact O-CD 3.43Å
114H93.8Very high94.6Very high96 Ų9654.5 Ų54.544%0.44428%0.277SS..THydrogen-bonded Turntrans-97-0177.4-66-38.2000114Q27 N112 Y116Q27-H114 PolarHBondContact NE2-O 3.11Å; N112-H114 PolarHBondContact O-N 2.88Å; H114-Y116 HydrophobicContact CB-CD2 3.66Å; H114-Y116 HydrophobicContact CB-CE2 3.32Å; H114-Y116 HydrophobicContact CB-CG 4.42Å; H114-Y116 AromaticContact CD2-CE2 3.86Å; H114-Y116 AromaticContact CG-CE2 3.94Å; H114-Y116 PolarHBondContact O-N 3.28Å
115H95.8Very high94.6Very high72 Ų7254.4 Ų54.433%0.33328%0.277SS..  trans55.246.6178.5-46.792000112.6F20 F22 N112F20-H115 PolarHBondContact O-CD2 3.39Å; F20-H115 PolarHBondContact O-NE2 3.03Å; F22-H115 HydrophobicContact CD1-CB 3.86Å; F22-H115 HydrophobicContact CD2-CB 4.28Å; F22-H115 VanDerWaalsContact CE1-C 3.41Å; F22-H115 HydrophobicContact CE1-CB 3.78Å; F22-H115 WeakPolarHBondContact CE1-O 3.49Å; F22-H115 HydrophobicContact CE2-CB 4.18Å; F22-H115 HydrophobicContact CG-CB 4.13Å; F22-H115 HydrophobicContact CZ-CB 3.94Å; N112-H115 PolarHBondContact O-N 3.41Å; N112-H115 PolarHBondContact OD1-N 3Å
116Y97.4Very high94.7Very high11 Ų1152.6 Ų52.64%0.04327%0.269CS..EExtended strand (participates in β ladder)trans-78.3132.9175.3-69.5-60.4000111.2Q27 L29 M107 L108 N112 H114 P136Q27-Y116 HydrophobicContact CB-CD1 3.58Å; Q27-Y116 HydrophobicContact CB-CE1 3.82Å; Q27-Y116 WeakPolarHBondContact O-CA 3.45Å; L29-Y116 HydrophobicContact CD1-CD1 4.07Å; L29-Y116 HydrophobicContact CD1-CD2 3.67Å; L29-Y116 HydrophobicContact CD1-CE2 4.18Å; L29-Y116 HydrophobicContact CD1-CG 3.61Å; L29-Y116 HydrophobicContact CD2-CD1 4.12Å; L29-Y116 HydrophobicContact CD2-CE1 4.08Å; L29-Y116 HydrophobicContact CD2-CG 4.49Å; L29-Y116 HydrophobicContact CG-CD1 3.71Å; L29-Y116 HydrophobicContact CG-CD2 4.25Å; L29-Y116 HydrophobicContact CG-CE1 4.19Å; L29-Y116 HydrophobicContact CG-CG 3.76Å; M107-Y116 HydrophobicContact CE-CE2 3.9Å; L108-Y116 HydrophobicContact CD2-CD2 4.24Å; N112-Y116 PolarHBondContact ND2-N 3.39Å; N112-Y116 PolarHBondContact ND2-O 3.32Å; N112-Y116 PolarHBondContact OD1-N 2.96Å; H114-Y116 HydrophobicContact CB-CD2 3.66Å; H114-Y116 HydrophobicContact CB-CE2 3.32Å; H114-Y116 HydrophobicContact CB-CG 4.42Å; H114-Y116 AromaticContact CD2-CE2 3.86Å; H114-Y116 AromaticContact CG-CE2 3.94Å; H114-Y116 PolarHBondContact O-N 3.28Å; Y116-P136 WeakPolarHBondContact O-CD 3.49Å
117F97.9Very high94.7Very high0 Ų054.5 Ų54.50%028%0.275CS..EExtended strand (participates in β ladder)trans-75.5148.6151.8-73.5-117.7000108.1I13 F22 F26 Q27 I28 L29 L53 P136 L138 L147I13-F117 HydrophobicContact CG1-CZ 4.49Å; F22-F117 HydrophobicContact CD1-CD2 4.06Å; F22-F117 AromaticContact CD1-CE2 3.58Å; F22-F117 HydrophobicContact CD1-CE2 3.58Å; F22-F117 HydrophobicContact CD1-CZ 4.49Å; F22-F117 AromaticContact CE1-CD2 3.81Å; F22-F117 HydrophobicContact CE1-CD2 3.81Å; F22-F117 AromaticContact CE1-CE2 3.76Å; F22-F117 HydrophobicContact CE1-CE2 3.76Å; F26-F117 HydrophobicContact CB-CD2 4Å; F26-F117 HydrophobicContact CB-CE2 3.78Å; F26-F117 HydrophobicContact CB-CZ 4.45Å; F26-F117 HydrophobicContact CD1-CD2 4.49Å; F26-F117 AromaticContact CD1-CE2 3.53Å; F26-F117 HydrophobicContact CD1-CE2 3.53Å; F26-F117 AromaticContact CD1-CZ 3.99Å; F26-F117 HydrophobicContact CD1-CZ 3.99Å; F26-F117 HydrophobicContact CE1-CE2 4.25Å; F26-F117 HydrophobicContact CE1-CZ 4.35Å; F26-F117 HydrophobicContact CG-CD2 4.46Å; F26-F117 AromaticContact CG-CE2 3.74Å; F26-F117 HydrophobicContact CG-CE2 3.74Å; F26-F117 HydrophobicContact CG-CZ 4.11Å; Q27-F117 PolarHBondContact O-N 2.84Å; I28-F117 CarbonylContact C-O 3.6Å; I28-F117 WeakPolarHBondContact CA-O 3.43Å; I28-F117 HydrophobicContact CB-CB 4.32Å; I28-F117 HydrophobicContact CG1-CB 4.07Å; I28-F117 HydrophobicContact CG2-CB 4.13Å; L29-F117 PolarHBondContact N-O 3.01Å; L53-F117 HydrophobicContact CD1-CE1 4.5Å; L53-F117 HydrophobicContact CD2-CE1 4.27Å; F117-P136 WeakPolarHBondContact CA-O 3.46Å; F117-P136 HydrophobicContact CD1-CB 3.49Å; F117-P136 VanDerWaalsContact CD1-CB 3.49Å; F117-P136 HydrophobicContact CD1-CG 4Å; F117-P136 HydrophobicContact CD2-CB 4.46Å; F117-P136 HydrophobicContact CD2-CG 4.08Å; F117-P136 HydrophobicContact CE1-CB 3.64Å; F117-P136 HydrophobicContact CE1-CG 4.05Å; F117-P136 HydrophobicContact CE2-CG 4.13Å; F117-P136 HydrophobicContact CG-CB 3.92Å; F117-P136 HydrophobicContact CG-CG 3.99Å; F117-P136 HydrophobicContact CZ-CB 4.21Å; F117-P136 HydrophobicContact CZ-CG 4.11Å; F117-L138 HydrophobicContact CB-CD1 4.31Å; F117-L138 HydrophobicContact CD1-CD1 4.02Å; F117-L147 HydrophobicContact CD1-CD1 4.05Å; F117-L147 HydrophobicContact CE1-CD1 3.97Å; F117-L147 HydrophobicContact CE1-CD2 4.46Å
118V98.1Very high94.8Very high0 Ų054.2 Ų54.20%028%0.277CS..EExtended strand (participates in β ladder)trans-122.8130.6176.7-170.70000110.1L104 L108 L129 V135 P136 L137 L138L104-V118 HydrophobicContact CD1-CG1 4.18Å; L104-V118 HydrophobicContact CD2-CG1 4.49Å; L108-V118 HydrophobicContact CD1-CG2 3.8Å; L108-V118 HydrophobicContact CD2-CG2 4.03Å; V118-L129 HydrophobicContact CB-CD1 3.92Å; V118-L129 HydrophobicContact CG1-CD1 3.68Å; V118-L129 HydrophobicContact CG1-CD2 4.46Å; V118-L129 HydrophobicContact CG2-CD1 4.41Å; V118-L129 HydrophobicContact CG2-CD2 4.17Å; V118-V135 HydrophobicContact CG2-CG1 3.91Å; V118-P136 PolarHBondContact N-O 3.36Å; V118-L137 WeakPolarHBondContact O-CA 3.44Å; V118-L138 PolarHBondContact O-N 3.12Å
119A98.1Very high95Very high0 Ų054.3 Ų54.30%028%0.278CS..EExtended strand (participates in β ladder)trans-118109.5179.200000109.9I28 L29 I30 D31 F34 L138I28-A119 HydrophobicContact CG2-CB 3.98Å; L29-A119 PolarHBondContact O-N 2.69Å; I30-A119 HydrophobicContact CG1-CB 4.03Å; D31-A119 PolarHBondContact N-O 3.26Å; F34-A119 HydrophobicContact CD1-CB 4.09Å; F34-A119 HydrophobicContact CD2-CB 3.79Å; F34-A119 HydrophobicContact CE1-CB 4.13Å; F34-A119 HydrophobicContact CE2-CB 3.82Å; F34-A119 HydrophobicContact CG-CB 3.93Å; F34-A119 HydrophobicContact CZ-CB 4Å; A119-L138 VanDerWaalsContact CA-O 3.31Å; A119-L138 WeakPolarHBondContact CA-O 3.39Å; A119-L138 HydrophobicContact CB-CB 3.91Å
120T97.8Very high95.2Very high0 Ų052.3 Ų52.30%027%0.267CS..  trans-147.6161.4-176.2-1760000110.6D31 T33 D122 V125 L129 L138D31-T120 WeakPolarHBondContact OD2-CB 3.48Å; D31-T120 PolarHBondContact OD2-OG1 3.5Å; T33-T120 PolarHBondContact OG1-OG1 3.24Å; T120-D122 PolarHBondContact OG1-N 3.4Å; T120-D122 VanDerWaalsContact OG1-N 3.1Å; T120-V125 HydrophobicContact CG2-CB 4.47Å; T120-V125 HydrophobicContact CG2-CG1 4.03Å; T120-L129 HydrophobicContact CG2-CD1 4.15Å; T120-L138 PolarHBondContact N-O 3.27Å; T120-L138 VanDerWaalsContact N-O 3.16Å
121Q96.4Very high95.5Very high70 Ų7052.1 Ų52.133%0.32726%0.264SS..  trans-116.6-0.6168.6-64.5-78.589.300112.2T33 A37 I140T33-Q121 PolarHBondContact OG1-N 3.45Å; A37-Q121 HydrophobicContact CB-CG 3.7Å; Q121-I140 PolarHBondContact NE2-O 3.1Å
122D96Very high95.9Very high54 Ų5449.1 Ų49.129%0.28924%0.244SC..  trans-76.7129.3175.9-176.66.3000110.7T120 A124 V125 T126T120-D122 PolarHBondContact OG1-N 3.4Å; T120-D122 VanDerWaalsContact OG1-N 3.1Å; D122-A124 PolarHBondContact OD1-N 2.88Å; D122-V125 HydrophobicContact CB-CB 4.14Å; D122-V125 HydrophobicContact CB-CG2 4.1Å; D122-V125 WeakPolarHBondContact OD2-CG2 3.22Å; D122-T126 VanDerWaalsContact O-CB 3.28Å; D122-T126 WeakPolarHBondContact O-CB 3.35Å; D122-T126 PolarHBondContact O-N 2.96Å; D122-T126 PolarHBondContact O-OG1 3.1Å
123R94.8Very high95.9Very high204 Ų20450.1 Ų50.177%0.7725%0.25SS*.Hα-helixtrans-71.1-40.8176.5-64.5-175.1-179.4-172.40.5111.8V125 T126 D127R123-V125 VanDerWaalsContact C-N 3.33Å; R123-V125 PolarHBondContact O-N 2.96Å; R123-T126 WeakPolarHBondContact O-CB 3.49Å; R123-T126 PolarHBondContact O-N 2.85Å; R123-T126 VanDerWaalsContact O-N 3.13Å; R123-D127 WeakPolarHBondContact O-CB 3.43Å; R123-D127 VanDerWaalsContact O-CG 3.31Å; R123-D127 PolarHBondContact O-N 3.34Å
124A93.9Very high96.1Very high71 Ų7147.6 Ų47.659%0.58723%0.234SC*.Hα-helixtrans-63-42.7-178.400000111D122 G128D122-A124 PolarHBondContact OD1-N 2.88Å; A124-G128 PolarHBondContact O-N 2.77Å
125V95Very high96.3Very high2 Ų243.3 Ų43.31%0.01222%0.215CC..Hα-helixtrans-62.6-51.6169.9177.30000110.7L104 T120 D122 R123 D127 G128 L129L104-V125 HydrophobicContact CD1-CG1 4.42Å; T120-V125 HydrophobicContact CG2-CB 4.47Å; T120-V125 HydrophobicContact CG2-CG1 4.03Å; D122-V125 HydrophobicContact CB-CB 4.14Å; D122-V125 HydrophobicContact CB-CG2 4.1Å; D122-V125 WeakPolarHBondContact OD2-CG2 3.22Å; R123-V125 VanDerWaalsContact C-N 3.33Å; R123-V125 PolarHBondContact O-N 2.96Å; V125-D127 VanDerWaalsContact C-N 3.28Å; V125-D127 PolarHBondContact O-N 3.16Å; V125-G128 CarbonylContact O-C 3.59Å; V125-G128 WeakPolarHBondContact O-CA 3.41Å; V125-G128 PolarHBondContact O-N 2.79Å; V125-L129 HydrophobicContact CG1-CD1 3.65Å; V125-L129 HydrophobicContact CG1-CD2 4.43Å; V125-L129 HydrophobicContact CG1-CG 3.86Å; V125-L129 VanDerWaalsContact O-CG 3.27Å; V125-L129 WeakPolarHBondContact O-CG 3.35Å; V125-L129 PolarHBondContact O-N 3.03Å
126T96.2Very high96.4Very high21 Ų2139.9 Ų39.913%0.12920%0.199CC..Hα-helixtrans-51.6-44.1179.6-66.40000113D122 R123 G128 L129 K130 L137D122-T126 VanDerWaalsContact O-CB 3.28Å; D122-T126 WeakPolarHBondContact O-CB 3.35Å; D122-T126 PolarHBondContact O-N 2.96Å; D122-T126 PolarHBondContact O-OG1 3.1Å; R123-T126 WeakPolarHBondContact O-CB 3.49Å; R123-T126 PolarHBondContact O-N 2.85Å; R123-T126 VanDerWaalsContact O-N 3.13Å; T126-G128 VanDerWaalsContact C-N 3.34Å; T126-L129 PolarHBondContact O-N 3.5Å; T126-K130 HydrophobicContact CG2-CD 4.04Å; T126-K130 WeakPolarHBondContact O-CB 3.45Å; T126-K130 VanDerWaalsContact O-CG 3.3Å; T126-K130 WeakPolarHBondContact O-CG 3.14Å; T126-K130 PolarHBondContact O-N 3.47Å; T126-L137 HydrophobicContact CG2-CD1 3.75Å
127D95.5Very high96.4Very high94 Ų9439.9 Ų39.950%0.50320%0.2SC..Hα-helixtrans-76.3-22-178.7-64-26.5000112.8R123 V125 K131R123-D127 WeakPolarHBondContact O-CB 3.43Å; R123-D127 VanDerWaalsContact O-CG 3.31Å; R123-D127 PolarHBondContact O-N 3.34Å; V125-D127 VanDerWaalsContact C-N 3.28Å; V125-D127 PolarHBondContact O-N 3.16Å; D127-K131 VanDerWaalsContact O-CE 3.24Å; D127-K131 WeakPolarHBondContact O-CE 3.12Å
128G95.4Very high96.3Very high15 Ų1539.9 Ų39.916%0.15520%0.2CC..Hα-helixtrans-71.2-53.5164.200000111.9A124 V125 T126 K130 K131A124-G128 PolarHBondContact O-N 2.77Å; V125-G128 CarbonylContact O-C 3.59Å; V125-G128 WeakPolarHBondContact O-CA 3.41Å; V125-G128 PolarHBondContact O-N 2.79Å; T126-G128 VanDerWaalsContact C-N 3.34Å; G128-K130 VanDerWaalsContact C-N 3.25Å; G128-K130 PolarHBondContact O-N 2.97Å; G128-K131 WeakPolarHBondContact O-CB 3.28Å; G128-K131 PolarHBondContact O-N 3.21Å
129L96.1Very high96.3Very high2 Ų243 Ų431%0.0121%0.212CC..Hα-helixtrans-56-37.6-179.4-64.7175.2000112.5L105 L108 V118 T120 V125 T126 K131 I132 V135 L137L105-L129 HydrophobicContact CD2-CD2 3.9Å; L105-L129 HydrophobicContact CD2-CG 4.25Å; L108-L129 HydrophobicContact CD1-CD2 3.14Å; V118-L129 HydrophobicContact CB-CD1 3.92Å; V118-L129 HydrophobicContact CG1-CD1 3.68Å; V118-L129 HydrophobicContact CG1-CD2 4.46Å; V118-L129 HydrophobicContact CG2-CD1 4.41Å; V118-L129 HydrophobicContact CG2-CD2 4.17Å; T120-L129 HydrophobicContact CG2-CD1 4.15Å; V125-L129 HydrophobicContact CG1-CD1 3.65Å; V125-L129 HydrophobicContact CG1-CD2 4.43Å; V125-L129 HydrophobicContact CG1-CG 3.86Å; V125-L129 VanDerWaalsContact O-CG 3.27Å; V125-L129 WeakPolarHBondContact O-CG 3.35Å; V125-L129 PolarHBondContact O-N 3.03Å; T126-L129 PolarHBondContact O-N 3.5Å; L129-K131 PolarHBondContact O-N 2.9Å; L129-I132 PolarHBondContact O-N 2.74Å; L129-I132 VanDerWaalsContact O-N 3.09Å; L129-V135 HydrophobicContact CB-CG1 4.26Å; L129-V135 HydrophobicContact CD2-CG1 4.11Å; L129-L137 HydrophobicContact CB-CD1 4.12Å; L129-L137 HydrophobicContact CD1-CD1 3.71Å; L129-L137 HydrophobicContact CD1-CG 4.46Å
130K95.9Very high96.2Very high80 Ų8043.5 Ų43.535%0.34822%0.215SC..THydrogen-bonded Turntrans-67.6-16.6-179.8-77.1177.5176.5-171.10114.5T126 G128 D148 S151T126-K130 HydrophobicContact CG2-CD 4.04Å; T126-K130 WeakPolarHBondContact O-CB 3.45Å; T126-K130 VanDerWaalsContact O-CG 3.3Å; T126-K130 WeakPolarHBondContact O-CG 3.14Å; T126-K130 PolarHBondContact O-N 3.47Å; G128-K130 VanDerWaalsContact C-N 3.25Å; G128-K130 PolarHBondContact O-N 2.97Å; K130-D148 WeakPolarHBondContact CE-OD2 3.26Å; K130-D148 IonicContact NZ-OD2 2.61Å; K130-D148 PolarHBondContact NZ-OD2 3.22Å; K130-S151 WeakPolarHBondContact O-CB 3.4Å; K130-S151 PolarHBondContact O-OG 2.89Å
131K96.1Very high96Very high164 Ų16447.2 Ų47.271%0.71323%0.234SC*.THydrogen-bonded Turntrans-82.8-22.2173.3-60.6167.1-173.3171.70112.2D127 G128 L129 A153D127-K131 VanDerWaalsContact O-CE 3.24Å; D127-K131 WeakPolarHBondContact O-CE 3.12Å; G128-K131 WeakPolarHBondContact O-CB 3.28Å; G128-K131 PolarHBondContact O-N 3.21Å; L129-K131 PolarHBondContact O-N 2.9Å; K131-A153 WeakPolarHBondContact O-CB 3.31Å
132I96Very high95.7Very high20 Ų2050.5 Ų50.510%0.10325%0.252CS..SBendtrans-84.2123.3179.9-52174.2000108.3L105 L108 L129 V135L105-I132 HydrophobicContact CD2-CD1 4.27Å; L108-I132 HydrophobicContact CB-CD1 4.18Å; L108-I132 HydrophobicContact CD1-CD1 4.49Å; L129-I132 PolarHBondContact O-N 2.74Å; L129-I132 VanDerWaalsContact O-N 3.09Å; I132-V135 HydrophobicContact CB-CG2 3.78Å; I132-V135 HydrophobicContact CG2-CG2 3.58Å
133P96.1Very high95.4Very high22 Ų2253.2 Ų53.214%0.14327%0.267CS..THydrogen-bonded Turntrans-67.8144172.829.6-35.4000110.7F20 E110 H157F20-P133 HydrophobicContact CE1-CB 4.14Å; F20-P133 HydrophobicContact CZ-CB 4.31Å; E110-P133 WeakPolarHBondContact O-CD 3.33Å; P133-H157 HydrophobicContact CB-CB 3.85Å
134G95.8Very high95.2Very high1 Ų146 Ų461%0.0125%0.246CC..THydrogen-bonded Turntrans80.121.5173.600000115.2F20 F22 N112 P136 S154F20-G134 VanDerWaalsContact CD1-CA 3.42Å; F20-G134 VanDerWaalsContact CE1-CA 3.47Å; F22-G134 WeakPolarHBondContact CE2-O 3.35Å; F22-G134 WeakPolarHBondContact CZ-O 3.19Å; N112-G134 PolarHBondContact ND2-O 2.98Å; G134-P136 WeakPolarHBondContact O-CD 3.43Å; G134-S154 PolarHBondContact N-OG 2.96Å
135V97.7Very high95.3Very high6 Ų642.6 Ų42.64%0.03622%0.218CC..  trans-107.9104.5177.4-179.10000111.6Y16 N112 V118 L129 I132 L137Y16-V135 PolarHBondContact OH-O 3.29Å; N112-V135 HydrophobicContact CB-CG2 3.97Å; V118-V135 HydrophobicContact CG2-CG1 3.91Å; L129-V135 HydrophobicContact CB-CG1 4.26Å; L129-V135 HydrophobicContact CD2-CG1 4.11Å; I132-V135 HydrophobicContact CB-CG2 3.78Å; I132-V135 HydrophobicContact CG2-CG2 3.58Å; V135-L137 PolarHBondContact O-N 3.17Å
136P97.4Very high95.3Very high1 Ų143.7 Ų43.71%0.00622%0.224CC..  trans-75.2120.6172.5-722.6000110.9Y16 F22 Y116 F117 V118 G134 L147Y16-P136 HydrophobicContact CD1-CG 4.13Å; Y16-P136 HydrophobicContact CD2-CB 3.8Å; Y16-P136 HydrophobicContact CD2-CG 3.67Å; Y16-P136 HydrophobicContact CE1-CG 4.24Å; Y16-P136 HydrophobicContact CE2-CB 3.54Å; Y16-P136 HydrophobicContact CE2-CG 3.76Å; Y16-P136 HydrophobicContact CG-CB 4.48Å; Y16-P136 HydrophobicContact CG-CG 3.86Å; F22-P136 HydrophobicContact CD1-CG 4.45Å; F22-P136 HydrophobicContact CE1-CG 3.66Å; F22-P136 HydrophobicContact CE2-CG 4.4Å; F22-P136 HydrophobicContact CZ-CG 3.64Å; Y116-P136 WeakPolarHBondContact O-CD 3.49Å; F117-P136 WeakPolarHBondContact CA-O 3.46Å; F117-P136 HydrophobicContact CD1-CB 3.49Å; F117-P136 VanDerWaalsContact CD1-CB 3.49Å; F117-P136 HydrophobicContact CD1-CG 4Å; F117-P136 HydrophobicContact CD2-CB 4.46Å; F117-P136 HydrophobicContact CD2-CG 4.08Å; F117-P136 HydrophobicContact CE1-CB 3.64Å; F117-P136 HydrophobicContact CE1-CG 4.05Å; F117-P136 HydrophobicContact CE2-CG 4.13Å; F117-P136 HydrophobicContact CG-CB 3.92Å; F117-P136 HydrophobicContact CG-CG 3.99Å; F117-P136 HydrophobicContact CZ-CB 4.21Å; F117-P136 HydrophobicContact CZ-CG 4.11Å; V118-P136 PolarHBondContact N-O 3.36Å; G134-P136 WeakPolarHBondContact O-CD 3.43Å; P136-L147 HydrophobicContact CB-CD1 4.05Å
137L97.5Very high95.3Very high10 Ų1042.9 Ų42.95%0.05222%0.219CC..EExtended strand (participates in β ladder)trans-102.7130.4-176.9-168.7149.3000112.4V118 T126 L129 V135 Y139 D148V118-L137 WeakPolarHBondContact O-CA 3.44Å; T126-L137 HydrophobicContact CG2-CD1 3.75Å; L129-L137 HydrophobicContact CB-CD1 4.12Å; L129-L137 HydrophobicContact CD1-CD1 3.71Å; L129-L137 HydrophobicContact CD1-CG 4.46Å; V135-L137 PolarHBondContact O-N 3.17Å; L137-Y139 HydrophobicContact CD2-CD1 3.92Å; L137-Y139 HydrophobicContact CD2-CG 4.37Å; L137-D148 HydrophobicContact CB-CB 4.44Å; L137-D148 PolarHBondContact O-N 2.92Å
138L97.6Very high95.3Very high0 Ų040 Ų400%020%0.204CC..EExtended strand (participates in β ladder)trans-113.8134.1177.3-77.3159.2000110.4I28 F34 M49 Y52 L53 F117 V118 A119 T120 V146 L147I28-L138 HydrophobicContact CD1-CD1 4.24Å; I28-L138 HydrophobicContact CG2-CD1 3.99Å; F34-L138 HydrophobicContact CE2-CB 4.44Å; M49-L138 HydrophobicContact CE-CD1 4.1Å; M49-L138 HydrophobicContact SD-CD1 3.87Å; M49-L138 HydrophobicContact SD-CD2 4.18Å; Y52-L138 HydrophobicContact CE1-CD2 4.35Å; L53-L138 HydrophobicContact CD1-CD1 4.43Å; L53-L138 HydrophobicContact CD2-CD2 4.37Å; F117-L138 HydrophobicContact CB-CD1 4.31Å; F117-L138 HydrophobicContact CD1-CD1 4.02Å; V118-L138 PolarHBondContact O-N 3.12Å; A119-L138 VanDerWaalsContact CA-O 3.31Å; A119-L138 WeakPolarHBondContact CA-O 3.39Å; A119-L138 HydrophobicContact CB-CB 3.91Å; T120-L138 PolarHBondContact N-O 3.27Å; T120-L138 VanDerWaalsContact N-O 3.16Å; L138-V146 WeakPolarHBondContact CA-O 3.42Å; L138-L147 HydrophobicContact CD2-CB 3.87Å; L138-L147 HydrophobicContact CD2-CD1 3.92Å; L138-L147 HydrophobicContact CG-CD1 3.89Å
139Y96.8Very high95.3Very high67 Ų6746.3 Ų46.326%0.26323%0.227SC..EExtended strand (participates in β ladder)trans-144.9167.9-178.766.1-69.9000110.5L137 I141 M145 V146 D148L137-Y139 HydrophobicContact CD2-CD1 3.92Å; L137-Y139 HydrophobicContact CD2-CG 4.37Å; Y139-I141 HydrophobicContact CD2-CD1 4.37Å; Y139-I141 HydrophobicContact CD2-CG1 3.83Å; Y139-I141 HydrophobicContact CE2-CD1 3.5Å; Y139-I141 HydrophobicContact CE2-CG1 3.46Å; Y139-I141 VanDerWaalsContact CE2-CG1 3.46Å; Y139-M145 CarbonylContact O-C 3.51Å; Y139-M145 WeakPolarHBondContact O-CA 3.24Å; Y139-V146 HydrophobicContact CD1-CB 4.26Å; Y139-V146 WeakPolarHBondContact CD1-O 3.15Å; Y139-V146 HydrophobicContact CE1-CB 3.85Å; Y139-V146 HydrophobicContact CE1-CG1 3.72Å; Y139-V146 PolarHBondContact N-O 2.83Å; Y139-V146 PolarHBondContact O-N 3.39Å; Y139-D148 HydrophobicContact CD1-CB 4.42Å; Y139-D148 HydrophobicContact CE1-CB 3.88Å
140I96.4Very high95.4Very high10 Ų1047.4 Ų47.45%0.05123%0.234CC..EExtended strand (participates in β ladder)trans-114.1117.4-177.7-69.2168.6000109.7F34 A37 A38 I43 Q121 L142 T144 M145F34-I140 HydrophobicContact CD1-CD1 4.18Å; F34-I140 HydrophobicContact CD2-CD1 4.05Å; F34-I140 HydrophobicContact CD2-CG1 4.13Å; F34-I140 HydrophobicContact CE1-CD1 3.99Å; F34-I140 HydrophobicContact CE2-CD1 3.86Å; F34-I140 HydrophobicContact CE2-CG1 3.65Å; F34-I140 HydrophobicContact CG-CD1 4.2Å; F34-I140 HydrophobicContact CZ-CD1 3.83Å; F34-I140 HydrophobicContact CZ-CG1 3.88Å; A37-I140 HydrophobicContact CB-CB 4.37Å; A37-I140 HydrophobicContact CB-CD1 4.07Å; A37-I140 HydrophobicContact CB-CG2 4.5Å; A38-I140 HydrophobicContact CB-CD1 3.88Å; I43-I140 HydrophobicContact CD1-CD1 4.14Å; I43-I140 HydrophobicContact CD1-CG1 4.19Å; I43-I140 HydrophobicContact CD1-CG2 3.61Å; Q121-I140 PolarHBondContact NE2-O 3.1Å; I140-L142 VanDerWaalsContact CG2-O 3.22Å; I140-L142 WeakPolarHBondContact CG2-O 3.43Å; I140-T144 WeakPolarHBondContact CA-O 3.49Å; I140-M145 HydrophobicContact CD1-CG 4.35Å; I140-M145 HydrophobicContact CG1-CG 3.83Å
141I93.6Very high95.4Very high78 Ų7844.2 Ų44.240%0.422%0.222SC..EExtended strand (participates in β ladder)trans-107.3116.3168.8-46.4-179000107.8Y139 N143 T144 V146Y139-I141 HydrophobicContact CD2-CD1 4.37Å; Y139-I141 HydrophobicContact CD2-CG1 3.83Å; Y139-I141 HydrophobicContact CE2-CD1 3.5Å; Y139-I141 HydrophobicContact CE2-CG1 3.46Å; Y139-I141 VanDerWaalsContact CE2-CG1 3.46Å; I141-N143 PolarHBondContact O-N 2.85Å; I141-T144 PolarHBondContact N-O 3.39Å; I141-T144 PolarHBondContact O-N 3.13Å; I141-T144 VanDerWaalsContact O-O 3.1Å; I141-T144 PolarHBondContact O-OG1 3.07Å; I141-V146 HydrophobicContact CB-CG2 4.42Å; I141-V146 HydrophobicContact CD1-CB 4.37Å; I141-V146 HydrophobicContact CD1-CG2 3.87Å; I141-V146 HydrophobicContact CG1-CB 4.48Å; I141-V146 HydrophobicContact CG1-CG2 3.97Å
142L89.7Confident95.5Very high138 Ų13842.9 Ų42.972%0.72322%0.219SC*.THydrogen-bonded Turntrans48.1-128.2-176-56.8170.9000110N41 I140 T144N41-L142 WeakPolarHBondContact CB-O 3.41Å; N41-L142 PolarHBondContact ND2-O 3.05Å; N41-L142 PolarHBondContact OD1-O 3.22Å; I140-L142 VanDerWaalsContact CG2-O 3.22Å; I140-L142 WeakPolarHBondContact CG2-O 3.43Å; L142-T144 PolarHBondContact O-N 3.2Å
143N90Very high95.5Very high111 Ų11143.2 Ų43.259%0.59422%0.224SC*.THydrogen-bonded Turntrans-86.726.2-179-58.5-2.6000113.3I141I141-N143 PolarHBondContact O-N 2.85Å
144T91.4Very high95.5Very high52 Ų5242.1 Ų42.132%0.31922%0.217SC..EExtended strand (participates in β ladder)trans-141.3133.9-177.1590000114.9I140 I141 L142I140-T144 WeakPolarHBondContact CA-O 3.49Å; I141-T144 PolarHBondContact N-O 3.39Å; I141-T144 PolarHBondContact O-N 3.13Å; I141-T144 VanDerWaalsContact O-O 3.1Å; I141-T144 PolarHBondContact O-OG1 3.07Å; L142-T144 PolarHBondContact O-N 3.2Å
145M94.3Very high95.5Very high1 Ų145.2 Ų45.21%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-75.9134.6166.4-63.5176.3-64.500110.7R5 F34 I43 Q48 M49 Y52 Y139 I140R5-M145 PolarHBondContact NE-O 3.25Å; R5-M145 PolarHBondContact NH2-O 2.96Å; F34-M145 HydrophobicContact CE1-SD 4.1Å; F34-M145 HydrophobicContact CZ-CG 3.85Å; F34-M145 HydrophobicContact CZ-SD 3.75Å; I43-M145 HydrophobicContact CG2-CE 3.95Å; I43-M145 HydrophobicContact CG2-CG 4.05Å; I43-M145 HydrophobicContact CG2-SD 3.96Å; Q48-M145 HydrophobicContact CB-CE 3.47Å; Q48-M145 VanDerWaalsContact CB-CE 3.47Å; M49-M145 HydrophobicContact CB-CE 4.14Å; M49-M145 HydrophobicContact CE-SD 3.63Å; M49-M145 HydrophobicContact SD-CE 4.31Å; M49-M145 HydrophobicContact SD-SD 3.96Å; Y52-M145 HydrophobicContact CD1-CB 4.37Å; Y52-M145 WeakPolarHBondContact CE1-O 3.14Å; Y139-M145 CarbonylContact O-C 3.51Å; Y139-M145 WeakPolarHBondContact O-CA 3.24Å; I140-M145 HydrophobicContact CD1-CG 4.35Å; I140-M145 HydrophobicContact CG1-CG 3.83Å
146V95.3Very high95.4Very high24 Ų2449.3 Ų49.315%0.14525%0.254CS..EExtended strand (participates in β ladder)trans-126.2131.5-179.8-178.60000108.9L138 Y139 I141L138-V146 WeakPolarHBondContact CA-O 3.42Å; Y139-V146 HydrophobicContact CD1-CB 4.26Å; Y139-V146 WeakPolarHBondContact CD1-O 3.15Å; Y139-V146 HydrophobicContact CE1-CB 3.85Å; Y139-V146 HydrophobicContact CE1-CG1 3.72Å; Y139-V146 PolarHBondContact N-O 2.83Å; Y139-V146 PolarHBondContact O-N 3.39Å; I141-V146 HydrophobicContact CB-CG2 4.42Å; I141-V146 HydrophobicContact CD1-CB 4.37Å; I141-V146 HydrophobicContact CD1-CG2 3.87Å; I141-V146 HydrophobicContact CG1-CB 4.48Å; I141-V146 HydrophobicContact CG1-CG2 3.97Å
147L96.8Very high95.2Very high5 Ų552.3 Ų52.33%0.02627%0.268CS..EExtended strand (participates in β ladder)trans-87.1123166.8-178.367.8000107A9 T12 I13 Y52 L53 F117 P136 L138A9-L147 HydrophobicContact CB-CD2 4.42Å; T12-L147 HydrophobicContact CG2-CD2 3.72Å; T12-L147 HydrophobicContact CG2-CG 3.95Å; I13-L147 HydrophobicContact CD1-CD2 4.2Å; I13-L147 HydrophobicContact CG1-CD2 3.66Å; Y52-L147 HydrophobicContact CE1-CB 4.17Å; Y52-L147 PolarHBondContact OH-N 3.05Å; L53-L147 HydrophobicContact CD2-CD2 4.15Å; F117-L147 HydrophobicContact CD1-CD1 4.05Å; F117-L147 HydrophobicContact CE1-CD1 3.97Å; F117-L147 HydrophobicContact CE1-CD2 4.46Å; P136-L147 HydrophobicContact CB-CD1 4.05Å; L138-L147 HydrophobicContact CD2-CB 3.87Å; L138-L147 HydrophobicContact CD2-CD1 3.92Å; L138-L147 HydrophobicContact CG-CD1 3.89Å
148D96.1Very high95.1Very high34 Ų3452.3 Ų52.318%0.18227%0.269CS..PPolyproline II helixtrans-65.4169.5-180-154.9-7.7000111T12 K130 L137 Y139T12-D148 WeakPolarHBondContact CG2-O 3.44Å; T12-D148 PolarHBondContact OG1-O 3.47Å; K130-D148 WeakPolarHBondContact CE-OD2 3.26Å; K130-D148 IonicContact NZ-OD2 2.61Å; K130-D148 PolarHBondContact NZ-OD2 3.22Å; L137-D148 HydrophobicContact CB-CB 4.44Å; L137-D148 PolarHBondContact O-N 2.92Å; Y139-D148 HydrophobicContact CD1-CB 4.42Å; Y139-D148 HydrophobicContact CE1-CB 3.88Å
149K95.9Very high94.9Very high146 Ų14657.8 Ų57.864%0.63529%0.294SS*.PPolyproline II helixtrans-68.8159.7165-62.8175.9-173.8172.30109.2S151K149-S151 PolarHBondContact O-N 2.94Å
150P97Very high94.6Very high25 Ų2555.2 Ų55.216%0.16229%0.287CS..PPolyproline II helixtrans-51.1140167-26.636.5000111.7T12 F15 Y16 L155T12-P150 HydrophobicContact CG2-CG 4.42Å; F15-P150 HydrophobicContact CB-CG 4.47Å; F15-P150 HydrophobicContact CD1-CB 3.89Å; F15-P150 HydrophobicContact CD1-CG 3.42Å; F15-P150 VanDerWaalsContact CD1-CG 3.42Å; F15-P150 HydrophobicContact CD2-CG 4.46Å; F15-P150 HydrophobicContact CE1-CB 3.56Å; F15-P150 HydrophobicContact CE1-CG 3.67Å; F15-P150 HydrophobicContact CG-CG 3.87Å; F15-P150 HydrophobicContact CZ-CB 4.04Å; F15-P150 HydrophobicContact CZ-CG 4.28Å; Y16-P150 WeakPolarHBondContact OH-CA 3.48Å; P150-L155 HydrophobicContact CB-CD2 4.14Å; P150-L155 HydrophobicContact CB-CG 4.11Å
151S97Very high94.2Very high14 Ų1457.2 Ų57.210%0.09830%0.3CS..PPolyproline II helixtrans-65.9157.4173.4610000110.8K130 K149 A153 S154 L155K130-S151 WeakPolarHBondContact O-CB 3.4Å; K130-S151 PolarHBondContact O-OG 2.89Å; K149-S151 PolarHBondContact O-N 2.94Å; S151-A153 VanDerWaalsContact C-N 3.31Å; S151-A153 PolarHBondContact O-N 3.09Å; S151-S154 WeakPolarHBondContact O-CA 3.2Å; S151-S154 WeakPolarHBondContact O-CB 3.49Å; S151-S154 PolarHBondContact O-N 3.24Å; S151-S154 WeakPolarHBondContact OG-CB 3.34Å; S151-S154 PolarHBondContact OG-N 2.98Å; S151-S154 PolarHBondContact OG-OG 3.31Å; S151-L155 PolarHBondContact O-N 3.15Å
152Q96.6Very high94Very high136 Ų13660.4 Ų60.464%0.63631%0.313SS*.Hα-helixtrans-57.2-47.4174.6-60.1-66.650.800110S154 L155 D156Q152-S154 PolarHBondContact O-N 2.93Å; Q152-L155 CarbonylContact O-C 3.6Å; Q152-L155 WeakPolarHBondContact O-CA 3.47Å; Q152-L155 WeakPolarHBondContact O-CB 3.48Å; Q152-L155 PolarHBondContact O-N 3.47Å; Q152-D156 WeakPolarHBondContact O-CB 3.3Å; Q152-D156 PolarHBondContact O-N 2.88Å
153A95.9Very high94Very high26 Ų2659.1 Ų59.122%0.21531%0.306CS..Hα-helixtrans-51.9-35.6173.300000113.9K131 S151 D156 H157K131-A153 WeakPolarHBondContact O-CB 3.31Å; S151-A153 VanDerWaalsContact C-N 3.31Å; S151-A153 PolarHBondContact O-N 3.09Å; A153-D156 PolarHBondContact N-OD2 3.25Å; A153-H157 WeakPolarHBondContact O-CB 3.48Å; A153-H157 PolarHBondContact O-N 2.99Å; A153-H157 VanDerWaalsContact O-N 3.08Å
154S96.4Very high93.6Very high0 Ų056.5 Ų56.50%031%0.306CS..Hα-helixtrans-72.6-31.2174.2-59.30000113.4G134 S151 Q152 V158G134-S154 PolarHBondContact N-OG 2.96Å; S151-S154 WeakPolarHBondContact O-CA 3.2Å; S151-S154 WeakPolarHBondContact O-CB 3.49Å; S151-S154 PolarHBondContact O-N 3.24Å; S151-S154 WeakPolarHBondContact OG-CB 3.34Å; S151-S154 PolarHBondContact OG-N 2.98Å; S151-S154 PolarHBondContact OG-OG 3.31Å; Q152-S154 PolarHBondContact O-N 2.93Å; S154-V158 VanDerWaalsContact O-CG2 3.25Å; S154-V158 WeakPolarHBondContact O-CG2 3.45Å
155L96.8Very high93.1Very high66 Ų6660.6 Ų60.635%0.34632%0.321SS..Hα-helixtrans-78.1-46.5176.4-66.4167.1000110.8F15 P150 S151 Q152 H157 V158 Q159F15-L155 HydrophobicContact CE2-CD2 3.73Å; F15-L155 HydrophobicContact CZ-CD2 3.86Å; P150-L155 HydrophobicContact CB-CD2 4.14Å; P150-L155 HydrophobicContact CB-CG 4.11Å; S151-L155 PolarHBondContact O-N 3.15Å; Q152-L155 CarbonylContact O-C 3.6Å; Q152-L155 WeakPolarHBondContact O-CA 3.47Å; Q152-L155 WeakPolarHBondContact O-CB 3.48Å; Q152-L155 PolarHBondContact O-N 3.47Å; L155-H157 VanDerWaalsContact C-N 3.34Å; L155-H157 PolarHBondContact O-N 3.34Å; L155-V158 PolarHBondContact O-N 3.08Å; L155-V158 VanDerWaalsContact O-N 3.09Å; L155-Q159 PolarHBondContact O-N 2.86Å
156D95.3Very high92.4Very high91 Ų9164 Ų6449%0.48734%0.339SS..Hα-helixtrans-58.5-44.7177.6-54.1-31.3000110.8Q152 A153 V158 Q159 A160Q152-D156 WeakPolarHBondContact O-CB 3.3Å; Q152-D156 PolarHBondContact O-N 2.88Å; A153-D156 PolarHBondContact N-OD2 3.25Å; D156-V158 VanDerWaalsContact C-N 3.34Å; D156-V158 PolarHBondContact O-N 2.96Å; D156-Q159 PolarHBondContact O-N 3.44Å; D156-A160 WeakPolarHBondContact O-CB 3.42Å; D156-A160 PolarHBondContact O-N 3.17Å
157H93.9Very high91.4Very high64 Ų6465.7 Ų65.730%0.29635%0.349SS..Hα-helixtrans-59.1-42.9174.1179.684.8000112.5F20 P133 A153 L155 A160 V161F20-H157 AromaticContact CE1-CD2 3.53Å; F20-H157 HydrophobicContact CZ-CB 4.47Å; F20-H157 AromaticContact CZ-CD2 3.7Å; P133-H157 HydrophobicContact CB-CB 3.85Å; A153-H157 WeakPolarHBondContact O-CB 3.48Å; A153-H157 PolarHBondContact O-N 2.99Å; A153-H157 VanDerWaalsContact O-N 3.08Å; L155-H157 VanDerWaalsContact C-N 3.34Å; L155-H157 PolarHBondContact O-N 3.34Å; H157-A160 PolarHBondContact O-N 3.37Å; H157-V161 WeakPolarHBondContact O-CG2 3.27Å; H157-V161 PolarHBondContact O-N 3.04Å
158V93.6Very high90.4Very high11 Ų1168.2 Ų68.27%0.06737%0.366CS..Hα-helixtrans-69.1-36.7178.4169.70000111.5F15 N19 F20 S154 L155 D156 V161 Q162F15-V158 HydrophobicContact CE2-CG1 4.46Å; F15-V158 HydrophobicContact CE2-CG2 4.21Å; F15-V158 HydrophobicContact CZ-CB 4.48Å; F15-V158 HydrophobicContact CZ-CG2 3.89Å; N19-V158 HydrophobicContact CB-CG1 4.39Å; N19-V158 HydrophobicContact CB-CG2 3.53Å; N19-V158 WeakPolarHBondContact OD1-CG1 3.47Å; F20-V158 HydrophobicContact CD2-CG2 4.5Å; F20-V158 HydrophobicContact CE2-CG2 3.61Å; F20-V158 HydrophobicContact CZ-CG2 3.87Å; S154-V158 VanDerWaalsContact O-CG2 3.25Å; S154-V158 WeakPolarHBondContact O-CG2 3.45Å; L155-V158 PolarHBondContact O-N 3.08Å; L155-V158 VanDerWaalsContact O-N 3.09Å; D156-V158 VanDerWaalsContact C-N 3.34Å; D156-V158 PolarHBondContact O-N 2.96Å; V158-V161 PolarHBondContact O-N 3.15Å; V158-Q162 WeakPolarHBondContact O-CB 3.39Å; V158-Q162 VanDerWaalsContact O-CG 3.26Å; V158-Q162 WeakPolarHBondContact O-CG 3.47Å; V158-Q162 PolarHBondContact O-N 3.4Å
159Q93.8Very high89.3Confident114 Ų11472.6 Ų72.653%0.53339%0.389SS..Hα-helixtrans-65.3-45.3173.9-177.2170.5-2700111.4L155 D156 V161 Q162 L163L155-Q159 PolarHBondContact O-N 2.86Å; D156-Q159 PolarHBondContact O-N 3.44Å; Q159-V161 VanDerWaalsContact C-N 3.33Å; Q159-V161 PolarHBondContact O-N 3.48Å; Q159-Q162 CarbonylContact O-C 3.6Å; Q159-Q162 PolarHBondContact O-N 2.9Å; Q159-Q162 VanDerWaalsContact O-N 3.1Å; Q159-L163 HydrophobicContact CG-CD1 3.95Å; Q159-L163 HydrophobicContact CG-CG 4.38Å; Q159-L163 WeakPolarHBondContact O-CB 3.49Å; Q159-L163 VanDerWaalsContact O-CG 3.32Å; Q159-L163 WeakPolarHBondContact O-CG 3.35Å; Q159-L163 PolarHBondContact O-N 3.02Å
160A91.3Very high88.4Confident14 Ų1468.8 Ų68.812%0.11638%0.384CS..Hα-helixtrans-63.3-34.9176.400000112.9D156 H157 G164 E165 L166D156-A160 WeakPolarHBondContact O-CB 3.42Å; D156-A160 PolarHBondContact O-N 3.17Å; H157-A160 PolarHBondContact O-N 3.37Å; A160-G164 PolarHBondContact O-N 3.17Å; A160-E165 HydrophobicContact CB-CB 4.33Å; A160-E165 WeakPolarHBondContact CB-OE2 3.09Å; A160-E165 WeakPolarHBondContact O-CB 3.2Å; A160-E165 PolarHBondContact O-N 2.86Å; A160-L166 HydrophobicContact CB-CD1 3.78Å; A160-L166 HydrophobicContact CB-CG 3.95Å; A160-L166 PolarHBondContact O-N 3.21Å
161V88.3Confident87.6Confident52 Ų5272.6 Ų72.632%0.31540%0.4SS..Hα-helixtrans-66.4-42.2170170.80000111.5H157 V158 Q159 G164 L166 P168H157-V161 WeakPolarHBondContact O-CG2 3.27Å; H157-V161 PolarHBondContact O-N 3.04Å; V158-V161 PolarHBondContact O-N 3.15Å; Q159-V161 VanDerWaalsContact C-N 3.33Å; Q159-V161 PolarHBondContact O-N 3.48Å; V161-G164 PolarHBondContact O-N 3.01Å; V161-L166 HydrophobicContact CG2-CB 3.69Å; V161-L166 HydrophobicContact CG2-CD1 4.21Å; V161-P168 HydrophobicContact CG1-CG 4.17Å
162Q88.1Confident86.8Confident145 Ų14575.3 Ų75.368%0.67841%0.411SS*.Hα-helixtrans-68.7-31.9178.5-74.1172.91000113.4V158 Q159 G164V158-Q162 WeakPolarHBondContact O-CB 3.39Å; V158-Q162 VanDerWaalsContact O-CG 3.26Å; V158-Q162 WeakPolarHBondContact O-CG 3.47Å; V158-Q162 PolarHBondContact O-N 3.4Å; Q159-Q162 CarbonylContact O-C 3.6Å; Q159-Q162 PolarHBondContact O-N 2.9Å; Q159-Q162 VanDerWaalsContact O-N 3.1Å; Q162-G164 PolarHBondContact O-N 3.35Å
163L89.7Confident86.1Confident111 Ų11174.5 Ų74.558%0.58141%0.407SS*.THydrogen-bonded Turntrans-77-8.1173.1-68172.3000113.2Q159 E165Q159-L163 HydrophobicContact CG-CD1 3.95Å; Q159-L163 HydrophobicContact CG-CG 4.38Å; Q159-L163 WeakPolarHBondContact O-CB 3.49Å; Q159-L163 VanDerWaalsContact O-CG 3.32Å; Q159-L163 WeakPolarHBondContact O-CG 3.35Å; Q159-L163 PolarHBondContact O-N 3.02Å; L163-E165 VanDerWaalsContact C-N 3.29Å; L163-E165 HydrophobicContact CB-CG 4.04Å; L163-E165 PolarHBondContact O-N 3.37Å
164G81.9Confident85.7Confident56 Ų5676.5 Ų76.558%0.57742%0.42SS*.THydrogen-bonded Turntrans78.96.2-178.800000114.9A160 V161 Q162 L166A160-G164 PolarHBondContact O-N 3.17Å; V161-G164 PolarHBondContact O-N 3.01Å; Q162-G164 PolarHBondContact O-N 3.35Å; G164-L166 VanDerWaalsContact C-N 3.29Å
165E82Confident85.2Confident137 Ų13779.3 Ų79.364%0.6443%0.434SS*.SBendtrans-66.7-34.1175.3-57.3177.2162.300111.3A160 L163A160-E165 HydrophobicContact CB-CB 4.33Å; A160-E165 WeakPolarHBondContact CB-OE2 3.09Å; A160-E165 WeakPolarHBondContact O-CB 3.2Å; A160-E165 PolarHBondContact O-N 2.86Å; L163-E165 VanDerWaalsContact C-N 3.29Å; L163-E165 HydrophobicContact CB-CG 4.04Å; L163-E165 PolarHBondContact O-N 3.37Å
166L78.4Confident84.7Confident74 Ų7483.2 Ų83.239%0.38744%0.444SS..SBendtrans-110.8112.2176.3-66.1179.5000111.2A160 V161 G164 P168A160-L166 HydrophobicContact CB-CD1 3.78Å; A160-L166 HydrophobicContact CB-CG 3.95Å; A160-L166 PolarHBondContact O-N 3.21Å; V161-L166 HydrophobicContact CG2-CB 3.69Å; V161-L166 HydrophobicContact CG2-CD1 4.21Å; G164-L166 VanDerWaalsContact C-N 3.29Å; L166-P168 WeakPolarHBondContact O-CD 3.32Å
167V74.9Confident84.4Confident59 Ų5981.7 Ų81.736%0.35844%0.441SS..  trans-70.2121.2176.1-177.10000110.2Q171 Q172 I175V167-Q171 HydrophobicContact CG1-CB 3.81Å; V167-Q171 HydrophobicContact CG1-CG 3.74Å; V167-Q172 HydrophobicContact CB-CG 4.02Å; V167-Q172 HydrophobicContact CG1-CG 3.75Å; V167-Q172 WeakPolarHBondContact O-CG 3.47Å; V167-Q172 PolarHBondContact O-NE2 3.33Å; V167-I175 HydrophobicContact CG1-CD1 4.29Å
168P75.9Confident84.1Confident57 Ų5783.1 Ų83.137%0.3745%0.45SS..  trans-58.1146.5178.4-26.234.9000113.4V161 L166 A170 Q171 Q172V161-P168 HydrophobicContact CG1-CG 4.17Å; L166-P168 WeakPolarHBondContact O-CD 3.32Å; P168-A170 VanDerWaalsContact C-N 3.29Å; P168-A170 PolarHBondContact O-N 3.09Å; P168-A170 VanDerWaalsContact O-N 3.15Å; P168-Q171 CarbonylContact O-C 3.28Å; P168-Q171 WeakPolarHBondContact O-CA 3.44Å; P168-Q171 WeakPolarHBondContact O-CB 3.48Å; P168-Q171 PolarHBondContact O-N 3.49Å; P168-Q172 PolarHBondContact O-N 2.83Å
169L73.5Confident83.9Confident127 Ų12787.5 Ų87.567%0.66547%0.468SS*.Hα-helixtrans-51-41.7-177-92.9163.3000114.2Q172 Q173L169-Q172 WeakPolarHBondContact O-CB 3.19Å; L169-Q172 PolarHBondContact O-N 3.15Å; L169-Q173 WeakPolarHBondContact O-CG 3.35Å; L169-Q173 PolarHBondContact O-N 3.24Å
170A75.4Confident83.7Confident66 Ų6688.3 Ų88.355%0.54547%0.472SS..Hα-helixtrans-63.6-42.9176.500000112.1P168 Q173 S174P168-A170 VanDerWaalsContact C-N 3.29Å; P168-A170 PolarHBondContact O-N 3.09Å; P168-A170 VanDerWaalsContact O-N 3.15Å; A170-Q173 WeakPolarHBondContact O-CB 3.2Å; A170-Q173 PolarHBondContact O-N 3.01Å; A170-S174 PolarHBondContact O-N 3.48Å; A170-S174 PolarHBondContact O-OG 2.89Å
171Q80.2Confident83.6Confident104 Ų10494.4 Ų94.449%0.48650%0.498SS..Hα-helixtrans-68.1-36.2175.9-173.8179.9-2.400111.4V167 P168 Q173 S174 I175V167-Q171 HydrophobicContact CG1-CB 3.81Å; V167-Q171 HydrophobicContact CG1-CG 3.74Å; P168-Q171 CarbonylContact O-C 3.28Å; P168-Q171 WeakPolarHBondContact O-CA 3.44Å; P168-Q171 WeakPolarHBondContact O-CB 3.48Å; P168-Q171 PolarHBondContact O-N 3.49Å; Q171-Q173 VanDerWaalsContact C-N 3.32Å; Q171-Q173 PolarHBondContact O-N 2.89Å; Q171-S174 PolarHBondContact O-N 3Å; Q171-I175 HydrophobicContact CG-CD1 3.91Å; Q171-I175 WeakPolarHBondContact O-CB 3.25Å; Q171-I175 WeakPolarHBondContact O-CD1 3.37Å; Q171-I175 WeakPolarHBondContact O-CG1 3.36Å; Q171-I175 PolarHBondContact O-N 3.4Å
172Q80.5Confident83.6Confident71 Ų7198.7 Ų98.733%0.33252%0.515SS..Hα-helixtrans-61.1-40171.1-63.7-172.827.600112.1V167 P168 L169 R176V167-Q172 HydrophobicContact CB-CG 4.02Å; V167-Q172 HydrophobicContact CG1-CG 3.75Å; V167-Q172 WeakPolarHBondContact O-CG 3.47Å; V167-Q172 PolarHBondContact O-NE2 3.33Å; P168-Q172 PolarHBondContact O-N 2.83Å; L169-Q172 WeakPolarHBondContact O-CB 3.19Å; L169-Q172 PolarHBondContact O-N 3.15Å; Q172-R176 VanDerWaalsContact O-CG 3.3Å; Q172-R176 WeakPolarHBondContact O-CG 3.13Å; Q172-R176 PolarHBondContact O-N 3.36Å
173Q83.3Confident83.2Confident119 Ų11995 Ų9556%0.55652%0.515SS*.Hα-helixtrans-65.6-49.8176.8-74.1170.3-11.100111L169 A170 Q171 I175 R176 S177L169-Q173 WeakPolarHBondContact O-CG 3.35Å; L169-Q173 PolarHBondContact O-N 3.24Å; A170-Q173 WeakPolarHBondContact O-CB 3.2Å; A170-Q173 PolarHBondContact O-N 3.01Å; Q171-Q173 VanDerWaalsContact C-N 3.32Å; Q171-Q173 PolarHBondContact O-N 2.89Å; Q173-I175 VanDerWaalsContact C-N 3.29Å; Q173-I175 PolarHBondContact O-N 3.31Å; Q173-R176 WeakPolarHBondContact O-CA 3.36Å; Q173-R176 WeakPolarHBondContact O-CB 3.48Å; Q173-R176 PolarHBondContact O-N 2.88Å; Q173-S177 PolarHBondContact O-N 3.03Å; Q173-S177 PolarHBondContact O-OG 3.22Å
174S87.3Confident82.7Confident68 Ų6895.1 Ų95.148%0.47652%0.515SS..Hα-helixtrans-57.6-40.9174.9-56.50000112.5A170 Q171 R176 S177 L178A170-S174 PolarHBondContact O-N 3.48Å; A170-S174 PolarHBondContact O-OG 2.89Å; Q171-S174 PolarHBondContact O-N 3Å; S174-R176 VanDerWaalsContact C-N 3.28Å; S174-R176 PolarHBondContact O-N 3.14Å; S174-S177 PolarHBondContact O-N 3.05Å; S174-L178 WeakPolarHBondContact O-CB 3.36Å; S174-L178 VanDerWaalsContact O-CG 3.26Å; S174-L178 WeakPolarHBondContact O-CG 3.32Å; S174-L178 PolarHBondContact O-N 3.08Å
175I85.5Confident81.8Confident60 Ų6094.9 Ų94.931%0.30851%0.505SS..Hα-helixtrans-65.3-29.2175.5-72168.2000112.1V167 Q171 Q173 K179V167-I175 HydrophobicContact CG1-CD1 4.29Å; Q171-I175 HydrophobicContact CG-CD1 3.91Å; Q171-I175 WeakPolarHBondContact O-CB 3.25Å; Q171-I175 WeakPolarHBondContact O-CD1 3.37Å; Q171-I175 WeakPolarHBondContact O-CG1 3.36Å; Q171-I175 PolarHBondContact O-N 3.4Å; Q173-I175 VanDerWaalsContact C-N 3.29Å; Q173-I175 PolarHBondContact O-N 3.31Å; I175-K179 HydrophobicContact CG2-CD 4.12Å; I175-K179 WeakPolarHBondContact O-CB 3.4Å; I175-K179 WeakPolarHBondContact O-CD 3.47Å; I175-K179 WeakPolarHBondContact O-CG 3.48Å; I175-K179 PolarHBondContact O-N 3.48Å
176R86.8Confident80.6Confident147 Ų14796.9 Ų96.956%0.55551%0.514SS*.Hα-helixtrans-72.4-50173.3-70.8170.2-161.2-156.57.2110.8Q172 Q173 S174 L178 K179 E180Q172-R176 VanDerWaalsContact O-CG 3.3Å; Q172-R176 WeakPolarHBondContact O-CG 3.13Å; Q172-R176 PolarHBondContact O-N 3.36Å; Q173-R176 WeakPolarHBondContact O-CA 3.36Å; Q173-R176 WeakPolarHBondContact O-CB 3.48Å; Q173-R176 PolarHBondContact O-N 2.88Å; S174-R176 VanDerWaalsContact C-N 3.28Å; S174-R176 PolarHBondContact O-N 3.14Å; R176-L178 PolarHBondContact O-N 3.03Å; R176-K179 WeakPolarHBondContact O-CB 3.46Å; R176-K179 PolarHBondContact O-N 3.27Å; R176-E180 PolarHBondContact O-N 3.42Å
177S88.5Confident79.5Confident59 Ų5999.9 Ų99.941%0.41352%0.524SS..Hα-helixtrans-56.2-48177.1-550000112Q173 S174 K179 E180 E181Q173-S177 PolarHBondContact O-N 3.03Å; Q173-S177 PolarHBondContact O-OG 3.22Å; S174-S177 PolarHBondContact O-N 3.05Å; S177-K179 VanDerWaalsContact C-N 3.27Å; S177-K179 PolarHBondContact O-N 3.01Å; S177-E180 WeakPolarHBondContact O-CB 3.46Å; S177-E180 PolarHBondContact O-N 3.35Å; S177-E181 WeakPolarHBondContact O-CG 3.43Å; S177-E181 PolarHBondContact O-N 3.09Å
178L88.1Confident78.3Confident95 Ų95104 Ų10450%0.49755%0.549SS..Hα-helixtrans-61.5-32.5176.5-69.8167.4000112.8S174 R176 Q182S174-L178 WeakPolarHBondContact O-CB 3.36Å; S174-L178 VanDerWaalsContact O-CG 3.26Å; S174-L178 WeakPolarHBondContact O-CG 3.32Å; S174-L178 PolarHBondContact O-N 3.08Å; R176-L178 PolarHBondContact O-N 3.03Å; L178-Q182 VanDerWaalsContact O-CB 3.31Å; L178-Q182 WeakPolarHBondContact O-CB 3.38Å; L178-Q182 WeakPolarHBondContact O-CG 3.45Å; L178-Q182 PolarHBondContact O-N 3.45Å; L178-Q182 VanDerWaalsContact O-N 3.07Å
179K88.7Confident77.3Confident102 Ų102104.5 Ų104.544%0.44357%0.565SS.*Hα-helixtrans-74.1-27.9174.1-77.8170.2-178.3175.40113I175 R176 S177 G183 I184 S185I175-K179 HydrophobicContact CG2-CD 4.12Å; I175-K179 WeakPolarHBondContact O-CB 3.4Å; I175-K179 WeakPolarHBondContact O-CD 3.47Å; I175-K179 WeakPolarHBondContact O-CG 3.48Å; I175-K179 PolarHBondContact O-N 3.48Å; R176-K179 WeakPolarHBondContact O-CB 3.46Å; R176-K179 PolarHBondContact O-N 3.27Å; S177-K179 VanDerWaalsContact C-N 3.27Å; S177-K179 PolarHBondContact O-N 3.01Å; K179-G183 PolarHBondContact O-N 3.07Å; K179-I184 PolarHBondContact O-N 3.46Å; K179-S185 PolarHBondContact O-N 3.43Å; K179-S185 VanDerWaalsContact O-N 3.12Å
180E89.4Confident76Confident131 Ų131105.2 Ų105.261%0.61256%0.564SS**Hα-helixtrans-75.6-46.1174.1-69.9173.9-172.200110.8R176 S177 Q182 G183 S185R176-E180 PolarHBondContact O-N 3.42Å; S177-E180 WeakPolarHBondContact O-CB 3.46Å; S177-E180 PolarHBondContact O-N 3.35Å; E180-Q182 PolarHBondContact O-N 2.8Å; E180-G183 PolarHBondContact O-N 3.47Å; E180-S185 WeakPolarHBondContact CG-OG 3.47Å
181E88.9Confident74.7Confident142 Ų142113.3 Ų113.366%0.66458%0.581SS**Hα-helixtrans-57.9-43.1174-71.4167.3-161.100112.6S177 G183S177-E181 WeakPolarHBondContact O-CG 3.43Å; S177-E181 PolarHBondContact O-N 3.09Å; E181-G183 PolarHBondContact O-N 2.71Å
182Q88.6Confident73.3Confident142 Ų142120.4 Ų120.466%0.66460%0.603SS**THydrogen-bonded Turntrans-78.4-0.2176.2-63.5-67.7-39.300113.5L178 E180 I184L178-Q182 VanDerWaalsContact O-CB 3.31Å; L178-Q182 WeakPolarHBondContact O-CB 3.38Å; L178-Q182 WeakPolarHBondContact O-CG 3.45Å; L178-Q182 PolarHBondContact O-N 3.45Å; L178-Q182 VanDerWaalsContact O-N 3.07Å; E180-Q182 PolarHBondContact O-N 2.8Å; Q182-I184 HydrophobicContact CB-CD1 3.81Å; Q182-I184 HydrophobicContact CB-CG1 4.06Å; Q182-I184 PolarHBondContact O-N 3.01Å
183G80.1Confident71.9Confident67 Ų67120.3 Ų120.369%0.69162%0.621SS**THydrogen-bonded Turntrans68.215.9179.600000115.3K179 E180 E181K179-G183 PolarHBondContact O-N 3.07Å; E180-G183 PolarHBondContact O-N 3.47Å; E181-G183 PolarHBondContact O-N 2.71Å
184I79.8Confident70.5Confident114 Ų114124.4 Ų124.459%0.58564%0.637SS**  trans-85.4-17.6-175.6-64.3170.4000111.9K179 Q182 Q186K179-I184 PolarHBondContact O-N 3.46Å; Q182-I184 HydrophobicContact CB-CD1 3.81Å; Q182-I184 HydrophobicContact CB-CG1 4.06Å; Q182-I184 PolarHBondContact O-N 3.01Å; I184-Q186 PolarHBondContact O-N 2.98Å
185S61.5Low68.9Low52 Ų52130.9 Ų130.936%0.36466%0.657SS.*  trans-56.2109179.4-78.20000113.1K179 E180 K187K179-S185 PolarHBondContact O-N 3.43Å; K179-S185 VanDerWaalsContact O-N 3.12Å; E180-S185 WeakPolarHBondContact CG-OG 3.47Å; S185-K187 PolarHBondContact O-N 3.12Å
186Q58.2Low67.7Low178 Ų178139.5 Ų139.583%0.83269%0.686SS**  trans-64.5103.4176.6-72.2-172.1-8.800110.6I184 V188I184-Q186 PolarHBondContact O-N 2.98Å; Q186-V188 PolarHBondContact O-N 3.44Å
187K53.9Low66.3Low138 Ų138142.2 Ų142.260%0.670%0.702SS**  trans-64.994.2164.4-70-179.2-178.6175.40110S185 G189 E190S185-K187 PolarHBondContact O-N 3.12Å; K187-G189 VanDerWaalsContact C-N 3.28Å; K187-G189 PolarHBondContact O-N 3.09Å; K187-E190 HydrophobicContact CB-CB 4.36Å; K187-E190 HydrophobicContact CD-CB 4.47Å; K187-E190 HydrophobicContact CD-CG 4.06Å; K187-E190 WeakPolarHBondContact CD-OE1 3.32Å; K187-E190 WeakPolarHBondContact CD-OE2 3.47Å; K187-E190 IonicContact NZ-OE1 2.64Å; K187-E190 PolarHBondContact NZ-OE1 3.43Å; K187-E190 IonicContact NZ-OE2 2.67Å; K187-E190 PolarHBondContact NZ-OE2 2.94Å; K187-E190 PolarHBondContact O-N 3.02Å
188V50.1Low64.7Low145 Ų145151.1 Ų151.188%0.87973%0.726SS**THydrogen-bonded Turntrans-64.687.8171.8-177.10000108.9Q186Q186-V188 PolarHBondContact O-N 3.44Å
189G55.6Low63.1Low67 Ų67156.1 Ų156.169%0.69174%0.744SS**THydrogen-bonded Turntrans142.8-9.6176.300000117K187 R191K187-G189 VanDerWaalsContact C-N 3.28Å; K187-G189 PolarHBondContact O-N 3.09Å; G189-R191 PolarHBondContact O-N 3.48Å
190E45.1Very low61.4Low142 Ų142160.5 Ų160.566%0.66477%0.766SS**  trans-72.5106.7-179.2-100.9179.7-165.100112.5K187 R192K187-E190 HydrophobicContact CB-CB 4.36Å; K187-E190 HydrophobicContact CD-CB 4.47Å; K187-E190 HydrophobicContact CD-CG 4.06Å; K187-E190 WeakPolarHBondContact CD-OE1 3.32Å; K187-E190 WeakPolarHBondContact CD-OE2 3.47Å; K187-E190 IonicContact NZ-OE1 2.64Å; K187-E190 PolarHBondContact NZ-OE1 3.43Å; K187-E190 IonicContact NZ-OE2 2.67Å; K187-E190 PolarHBondContact NZ-OE2 2.94Å; K187-E190 PolarHBondContact O-N 3.02Å; E190-R192 PolarHBondContact O-N 2.97Å
191R49.6Very low59.6Low236 Ų236159.5 Ų159.589%0.89177%0.773SS**  trans-52.3129.4-172.7-65.3167171.1157.2-5.8111.8G189 G193G189-R191 PolarHBondContact O-N 3.48Å; R191-G193 PolarHBondContact O-N 3.21Å; R191-G193 VanDerWaalsContact O-N 3.12Å
192R50.4Low58.2Low253 Ų253159.8 Ų159.896%0.95578%0.779SS**  trans-38.7119169.4-74.1178.7172.1171.5-2.6110.1E190 K194E190-R192 PolarHBondContact O-N 2.97Å; R192-K194 PolarHBondContact O-N 3.29Å
193G50.8Low57Low69 Ų69158.2 Ų158.271%0.71178%0.782SS**  trans-50.8132.2-164.100000114R191 K195R191-G193 PolarHBondContact O-N 3.21Å; R191-G193 VanDerWaalsContact O-N 3.12Å; G193-K195 PolarHBondContact O-N 3.44Å
194K54.5Low56.1Low205 Ų205160 Ų16089%0.89178%0.775SS**  trans-53.5110.7176.5-73.4-178.6177.5177.50109.3R192 R196R192-K194 PolarHBondContact O-N 3.29Å; K194-R196 PolarHBondContact O-N 2.88Å
195K54Low55Low205 Ų205160 Ų16089%0.89178%0.783SS**  trans-54.1113.5172.8-72-178.3177.9177.50108.4G193 K197G193-K195 PolarHBondContact O-N 3.44Å; K195-K197 PolarHBondContact O-N 3.25Å
196R59.6Low54.9Low241 Ų241163.9 Ų163.991%0.90980%0.798SS**PPolyproline II helixtrans-54.4123.9173-77.3-179.5168.1178.1-4.3108K194 R198K194-R196 PolarHBondContact O-N 2.88Å; R196-R198 PolarHBondContact O-N 3.42Å
197K57.5Low54.9Low204 Ų204159.5 Ų159.589%0.88779%0.787SS**PPolyproline II helixtrans-55.6124.3170.9-75.7-173.4175.7-176.40107.6K195 K199K195-K197 PolarHBondContact O-N 3.25Å; K197-K199 PolarHBondContact O-N 2.77Å
198R55.5Low55.2Low245 Ų245157.9 Ų157.993%0.92579%0.792SS**PPolyproline II helixtrans-62127.9171-76.4-179.3169.9175.4-4.7107.6R196R196-R198 PolarHBondContact O-N 3.42Å
199K53.3Low55.8Low200 Ų200158.2 Ų158.287%0.8779%0.789SS**PPolyproline II helixtrans-62.3142.9163.2-66.1-174.5175.8-173.70107.7K197 S201K197-K199 PolarHBondContact O-N 2.77Å; K199-S201 PolarHBondContact O-N 2.79Å
200Q53.4Low56.2Low195 Ų195164.6 Ų164.691%0.91180%0.797SS**PPolyproline II helixtrans-61.3124166-88.3166.1-62.800108.2
201S51.3Low56.8Low109 Ų109167.8 Ų167.876%0.76281%0.809SS**PPolyproline II helixtrans-83.8127.4168.753.20000108.7K199K199-S201 PolarHBondContact O-N 2.79Å
202N60.4Low56.9Low149 Ų149166.2 Ų166.280%0.79781%0.809SS**PPolyproline II helixtrans-58.6149.6165.6-67.7-24.1000109.8
203P62Low56.4Low109 Ų109164.1 Ų164.171%0.70881%0.806SS**PPolyproline II helixtrans-56.5143.7-179.2-26.135.4000112.8
204N61Low55.9Low105 Ų105171 Ų17156%0.56182%0.816SS**PPolyproline II helixtrans-60.9122.7174.3176.4-11.6000109.5L206 S207N204-L206 PolarHBondContact O-N 3.48Å; N204-L206 PolarHBondContact OD1-N 2.84Å; N204-S207 WeakPolarHBondContact O-CB 3.26Å; N204-S207 PolarHBondContact O-N 2.96Å; N204-S207 PolarHBondContact O-OG 3.41Å
205P57.5Low55Low114 Ų114164.7 Ų164.774%0.7481%0.81SS**G310 helixtrans-60.8-18.3-172.622.9-34.2000114.7S207P205-S207 PolarHBondContact O-N 3.18Å
206L59.5Low54.4Low132 Ų132162.1 Ų162.169%0.69181%0.811SS**G310 helixtrans-69.8-10.3174.3-71.1165.8000114.2N204 C208N204-L206 PolarHBondContact O-N 3.48Å; N204-L206 PolarHBondContact OD1-N 2.84Å; L206-C208 VanDerWaalsContact C-N 3.28Å; L206-C208 PolarHBondContact O-N 3.1Å
207S57.2Low54.1Low86 Ų86156 Ų15660%0.60180%0.803SS**G310 helixtrans-76.3-7.5-178.868.60000115.1N204 P205N204-S207 WeakPolarHBondContact O-CB 3.26Å; N204-S207 PolarHBondContact O-N 2.96Å; N204-S207 PolarHBondContact O-OG 3.41Å; P205-S207 PolarHBondContact O-N 3.18Å
208C61.1Low53Low104 Ų104153 Ų15370%0.70380%0.801SS**G310 helixtrans-98.510.7-169.7-66.80000115.3L206 K210L206-C208 VanDerWaalsContact C-N 3.28Å; L206-C208 PolarHBondContact O-N 3.1Å; C208-K210 PolarHBondContact O-N 3.46Å
209L63.5Low52.5Low153 Ų153146.9 Ų146.980%0.80179%0.794SS**  trans-77.2113.6179.7-71.9174000112.2
210K63.8Low51.7Low201 Ų201142 Ų14287%0.87479%0.79SS**  trans-65137.4-179.6-67-179.8-179.4176.30112C208 K212C208-K210 PolarHBondContact O-N 3.46Å; K210-K212 PolarHBondContact O-N 2.87Å
211K56.3Low50.9Low209 Ų209141 Ų14191%0.90979%0.79SS**  trans-65.6106.3-179.1-166.2176.1-172.8177.20111.3
212K52.6Low50.1Low203 Ų203145.2 Ų145.288%0.88380%0.795SS**PPolyproline II helixtrans-62.9140.7173.4-70.5-172.6176.2-176.40110.6K210K210-K212 PolarHBondContact O-N 2.87Å
213K39.7Very low48.7Very low209 Ų209146.5 Ų146.591%0.90979%0.793SS**PPolyproline II helixtrans-74156.8176.2-69.3-175.9177.4-1790110.9
214K41.3Very low47.2Very low212 Ų212148 Ų14892%0.92280%0.8SS**PPolyproline II helixtrans-82.7144.6175.4-71.4-175.7173-174.60111.7
215G34.9Very low46.1Very low73 Ų73150.3 Ų150.375%0.75381%0.808SS**  trans-105.2174.5155.200000110.8
216V40.6Very low45Very low151 Ų151150.6 Ų150.692%0.91581%0.81SS**  trans-111176.1-168.7-105.50000112.1
217P53.7Low43.5Very low113 Ų113147.9 Ų147.973%0.73481%0.814SS**  trans-123.4167.9-137.543.6-31.1000117
218T35.6Very low42.4Very low140 Ų140150.9 Ų150.986%0.85982%0.818SS**  trans-142158.5162.528.60000110.3
219P44.5Very low41.1Very low118 Ų118156 Ų15677%0.76683%0.829SS**  -125.6158.2-128.841.1-30.3000118.7
220A36.3Very low39.7Very low96 Ų96156.2 Ų156.279%0.79382%0.823SS**  trans41.8120.6141.800000121.8
221L36.1Very low38.4Very low174 Ų174156.7 Ų156.791%0.91183%0.825SS**  trans-125.1158.5144.4-90.2169.7000111.1
222K35Very low37.4Very low198 Ų198158.6 Ų158.686%0.86183%0.827SS**  trans-72.1131.8-162.2-65.4160-176.5173.90111.8
223K31Very low36.7Very low176 Ų176153.8 Ų153.877%0.76582%0.819SS**  72.8109.771.8-107.5-154.6-179-158.60115.1
224T30.7Very low36.4Very low140 Ų140155.8 Ų155.886%0.85982%0.82SS**  trans-163.598.1146.419.10000111.3
225E37.2Very low36.1Very low154 Ų154154.6 Ų154.672%0.7282%0.818SS**  trans40.5159.9140.9-60-45.710700124.1
226P33.7Very low36.3Very low120 Ų120160 Ų16078%0.77982%0.82SS**  trans-109.9163.7-147.741-36000117.3
227G29.6Very low36Very low75 Ų75164.6 Ų164.677%0.77382%0.821SS**  trans-150.8134.4171.300000113.7
228E33.2Very low35.3Very low150 Ų150170.2 Ų170.270%0.70183%0.828SS**  trans-49.4141.6-166.9-57.2177.7103.600119.2K230E228-K230 PolarHBondContact O-N 3.23Å; E228-K230 VanDerWaalsContact O-N 3.15Å; E228-K230 WeakPolarHBondContact OE2-CE 3.15Å; E228-K230 IonicContact OE2-NZ 2.65Å; E228-K230 PolarHBondContact OE2-NZ 3.29Å
229K33Very low35.3Very low210 Ų210173.6 Ų173.691%0.91383%0.831SS**  trans-79.584.4165.7-69.9177.7179.9171.30112.4K231K229-K231 PolarHBondContact O-N 3.26Å
230K35.7Very low34.9Very low159 Ų159172.7 Ų172.769%0.69183%0.833SS**  trans-77.4105.2176-85.6168.5169.9146.40113.3E228 R232E228-K230 PolarHBondContact O-N 3.23Å; E228-K230 VanDerWaalsContact O-N 3.15Å; E228-K230 WeakPolarHBondContact OE2-CE 3.15Å; E228-K230 IonicContact OE2-NZ 2.65Å; E228-K230 PolarHBondContact OE2-NZ 3.29Å; K230-R232 PolarHBondContact O-N 3.17Å
231K36.4Very low34.8Very low211 Ų211173 Ų17392%0.91784%0.836SS**  trans-63.3109.7163.9-68.3175.6179.8172.90109.3K229K229-K231 PolarHBondContact O-N 3.26Å
232R34.4Very low34.8Very low249 Ų249174 Ų17494%0.9484%0.836SS**  trans-76.6129.3170.4-85-175.5165.2173-3.8110.7K230K230-R232 PolarHBondContact O-N 3.17Å
233S37.5Very low34.7Very low102 Ų102167.8 Ų167.871%0.71383%0.828SS**  trans-86.4166.3-176.960.30000112.5H235S233-H235 PolarHBondContact O-N 3.15Å
234R34.6Very low35Very low250 Ų250166.5 Ų166.594%0.94383%0.83SS**  trans-71.1111.3172.2-84.1177.1161.6167.3-6.7110.3K236R234-K236 PolarHBondContact O-N 3.15Å; R234-K236 VanDerWaalsContact O-N 3.17Å
235H35.7Very low35.4Very low187 Ų187165.2 Ų165.287%0.86682%0.818SS**  trans-67.5111166-99.5-82.2000110.8S233S233-H235 PolarHBondContact O-N 3.15Å
236K37.3Very low35.3Very low186 Ų186166.7 Ų166.781%0.80983%0.827SS**  trans-83.8106.9166.6-175.6175.4-177.5176.40107.9R234 R238R234-K236 PolarHBondContact O-N 3.15Å; R234-K236 VanDerWaalsContact O-N 3.17Å; K236-R238 PolarHBondContact O-N 2.61Å; K236-R238 VanDerWaalsContact O-N 3.15Å
237R36Very low35.4Very low248 Ų248165.1 Ų165.194%0.93682%0.824SS**PPolyproline II helixtrans-55.3119.4171.6-87.4-177.3165-178.9-6.1109.1
238R38.7Very low35.9Very low232 Ų232165.9 Ų165.988%0.87582%0.823SS**PPolyproline II helixtrans-93.8152.7160.8-80.2-176.9163.6175.8-5.3108.4K236K236-R238 PolarHBondContact O-N 2.61Å; K236-R238 VanDerWaalsContact O-N 3.15Å
239K35.2Very low36.6Very low210 Ų210164.3 Ų164.391%0.91383%0.826SS**PPolyproline II helixtrans-68.2144.6170-66.7-178.9174-174.80109
240A35.8Very low37Very low99 Ų99160 Ų16082%0.81882%0.816SS**PPolyproline II helixtrans-76.8149.6158.500000109.3
241A34.3Very low37.3Very low103 Ų103159.4 Ų159.485%0.85183%0.826SS**  trans-146.1134.2166.800000105.9
242E35.9Very low37.8Very low194 Ų194156.5 Ų156.591%0.90782%0.819SS**  trans-146.5110.1-167.4-160.8159-137.400108.9
243G34Very low38.3Very low68 Ų68149.7 Ų149.770%0.70181%0.81SS**  trans-115.8-172.8149.200000106.8
244D37.2Very low38.7Very low149 Ų149155 Ų15580%0.79784%0.838SS**  cis-161.8-1802.8-151.721.7000105.9
245N37.5Very low38.9Very low114 Ų114150.2 Ų150.261%0.6183%0.832SS**  cis-158.2159.48.1-178.4-90.5000107.3A247N245-A247 PolarHBondContact OD1-N 3.11Å; N245-A247 VanDerWaalsContact OD1-N 3.11Å
246M36.3Very low39.1Very low184 Ų184148.3 Ų148.391%0.90683%0.831SS**  trans-156.8108.1142.6-120.1176.5172.600116.1
247A35.5Very low39.2Very low87 Ų87146.2 Ų146.272%0.71983%0.832SS**  trans38.7131.914000000122.2N245N245-A247 PolarHBondContact OD1-N 3.11Å; N245-A247 VanDerWaalsContact OD1-N 3.11Å
248A39.4Very low39.4Very low91 Ų91140.2 Ų140.275%0.75283%0.826SS**  trans-95.6-177.6165.500000111.6
249P49Very low39.4Very low118 Ų118134.4 Ų134.477%0.76682%0.823SS**  -146.4151.177.438.2-20.2000117.8
250V41.3Very low39.7Very low118 Ų118129.4 Ų129.472%0.71582%0.817SS**  trans18.3124.7139.8-171.60000120I252V250-I252 HydrophobicContact CG1-CG1 4.47Å
251V41.1Very low40Very low148 Ų148131.6 Ų131.690%0.89782%0.817SS**  trans-142.2147.9133.4-114.20000110.3
252I48.1Very low40.4Very low150 Ų150133.8 Ų133.877%0.76981%0.814SS**  trans-117.9137.7178.5-62.9164.4000107.4V250V250-I252 HydrophobicContact CG1-CG1 4.47Å
253S43.2Very low40.8Very low106 Ų106128.8 Ų128.874%0.74181%0.806SS**  trans-172.4142.3145.9-82.80000112.5
254T46.9Very low41.4Very low212 Ų212134.3 Ų134.3100%1.30182%0.816SS**  trans43.40156.8630000118.3

Retrieved 254 of 254 residues in 387.9 ms (Link to these results)

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