A0A5K4EL37_SCHMA Loading...

Scavenger receptor class B member 1

AlphaFold DB , UniProt , Accession A0A5K4EL37, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 481 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
1M35.4Very low66.7Low245 Ų24591.6 Ų91.6100%1.20753%0.527SS*.  091.80-75.8167.1143.300108.8K3M1-K3 PolarHBondContact O-N 2.82Å
2C49.1Very low68.5Low98 Ų9894.2 Ų94.266%0.66252%0.523SS*.  trans-70.6128.1177.7-151.60000108.9G4C2-G4 PolarHBondContact O-N 3.08Å; C2-G4 VanDerWaalsContact O-N 3.12Å
3K55.3Low70.1Confident184 Ų18494.2 Ų94.280%0.853%0.527SS*.  trans-51.4118.1-175.7-75177.3177174.90109.1M1 K5 A6M1-K3 PolarHBondContact O-N 2.82Å; K3-K5 PolarHBondContact O-N 2.75Å; K3-A6 PolarHBondContact O-N 2.96Å
4G60.1Low71.5Confident47 Ų4796.9 Ų96.949%0.48553%0.53SS..Hα-helixtrans-53.4-18-166.400000117.1C2 M8C2-G4 PolarHBondContact O-N 3.08Å; C2-G4 VanDerWaalsContact O-N 3.12Å; G4-M8 WeakPolarHBondContact O-CB 3.33Å; G4-M8 PolarHBondContact O-N 3.26Å
5K63.7Low72.8Confident170 Ų17094.2 Ų94.274%0.73951%0.512SS*.Hα-helixtrans-69-40.6172.1-70.1-174.7177.1-177.60113.1K3 M8 G9K3-K5 PolarHBondContact O-N 2.75Å; K5-M8 PolarHBondContact O-N 2.77Å; K5-G9 PolarHBondContact O-N 3.19Å; K5-G9 VanDerWaalsContact O-N 3.13Å
6A70.1Confident73.9Confident56 Ų5691.1 Ų91.146%0.46350%0.503SS..Hα-helixtrans-69.7-44.4-176.600000112.2K3 M8 G9 T10K3-A6 PolarHBondContact O-N 2.96Å; A6-M8 VanDerWaalsContact C-N 3.26Å; A6-M8 PolarHBondContact O-N 2.91Å; A6-G9 PolarHBondContact O-N 3.11Å; A6-T10 PolarHBondContact O-N 3.33Å; A6-T10 VanDerWaalsContact O-N 3.16Å; A6-T10 PolarHBondContact O-OG1 3Å
7C74.1Confident75Confident50 Ų5090 Ų9034%0.33850%0.499SS..Hα-helixtrans-63.6-31175-750000113.3T10 A11 I473C7-T10 PolarHBondContact O-OG1 3.35Å; C7-T10 VanDerWaalsContact O-OG1 3.13Å; C7-A11 WeakPolarHBondContact O-CB 3.44Å; C7-A11 PolarHBondContact O-N 3.47Å; C7-I473 HydrophobicContact CB-CD1 4.48Å
8M76.1Confident76Confident31 Ų3185.6 Ų85.615%0.15348%0.476CS..Hα-helixtrans-73.2-41.6178.7-158.4-177.3-72.700110.6G4 K5 A6 A11 Y12 I473G4-M8 WeakPolarHBondContact O-CB 3.33Å; G4-M8 PolarHBondContact O-N 3.26Å; K5-M8 PolarHBondContact O-N 2.77Å; A6-M8 VanDerWaalsContact C-N 3.26Å; A6-M8 PolarHBondContact O-N 2.91Å; M8-A11 PolarHBondContact O-N 2.74Å; M8-Y12 HydrophobicContact CG-CD2 4.05Å; M8-Y12 HydrophobicContact CG-CE2 3.55Å; M8-Y12 WeakPolarHBondContact O-CD2 3.22Å; M8-Y12 PolarHBondContact O-N 3.19Å; M8-Y12 VanDerWaalsContact O-N 3.08Å; M8-Y12 HydrophobicContact SD-CE2 4.04Å; M8-I473 HydrophobicContact CE-CG2 3.65Å
9G81.5Confident76.9Confident36 Ų3685 Ų8537%0.37147%0.471SS..Hα-helixtrans-60.4-47175.900000113.1K5 A6 A11 Y12 V13K5-G9 PolarHBondContact O-N 3.19Å; K5-G9 VanDerWaalsContact O-N 3.13Å; A6-G9 PolarHBondContact O-N 3.11Å; G9-A11 PolarHBondContact O-N 3.16Å; G9-Y12 PolarHBondContact O-N 3.22Å; G9-V13 WeakPolarHBondContact O-CG2 3.15Å; G9-V13 PolarHBondContact O-N 3.42Å; G9-V13 VanDerWaalsContact O-N 3.09Å
10T84.3Confident77.7Confident81 Ų8187 Ų8750%0.49748%0.48SS..Hα-helixtrans-63.2-42177.654.40000112.1A6 C7 Y12 V13 F14A6-T10 PolarHBondContact O-N 3.33Å; A6-T10 VanDerWaalsContact O-N 3.16Å; A6-T10 PolarHBondContact O-OG1 3Å; C7-T10 PolarHBondContact O-OG1 3.35Å; C7-T10 VanDerWaalsContact O-OG1 3.13Å; T10-Y12 VanDerWaalsContact C-N 3.32Å; T10-Y12 PolarHBondContact O-N 3.27Å; T10-V13 PolarHBondContact O-N 3.47Å; T10-F14 WeakPolarHBondContact O-CD2 3.49Å; T10-F14 PolarHBondContact O-N 2.75Å
11A84.3Confident78.5Confident10 Ų1087.2 Ų87.28%0.08348%0.48CS..Hα-helixtrans-61.4-38176.800000112.8C7 M8 G9 F15 I470C7-A11 WeakPolarHBondContact O-CB 3.44Å; C7-A11 PolarHBondContact O-N 3.47Å; M8-A11 PolarHBondContact O-N 2.74Å; G9-A11 PolarHBondContact O-N 3.16Å; A11-F15 WeakPolarHBondContact O-CB 3.4Å; A11-F15 PolarHBondContact O-N 3.09Å; A11-I470 HydrophobicContact CB-CD1 4.25Å; A11-I470 HydrophobicContact CB-CG1 3.84Å
12Y88.3Confident81.3Confident122 Ų12278.3 Ų78.348%0.47844%0.435SS..Hα-helixtrans-66.9-38.8174.3-78.5-61.1000112.9M8 G9 T10 F15 A16 I470M8-Y12 HydrophobicContact CG-CD2 4.05Å; M8-Y12 HydrophobicContact CG-CE2 3.55Å; M8-Y12 WeakPolarHBondContact O-CD2 3.22Å; M8-Y12 PolarHBondContact O-N 3.19Å; M8-Y12 VanDerWaalsContact O-N 3.08Å; M8-Y12 HydrophobicContact SD-CE2 4.04Å; G9-Y12 PolarHBondContact O-N 3.22Å; T10-Y12 VanDerWaalsContact C-N 3.32Å; T10-Y12 PolarHBondContact O-N 3.27Å; Y12-F15 PolarHBondContact O-N 3.25Å; Y12-A16 WeakPolarHBondContact O-CB 3.15Å; Y12-A16 PolarHBondContact O-N 3.29Å; Y12-I470 HydrophobicContact CD1-CD1 3.94Å; Y12-I470 HydrophobicContact CE1-CD1 3.95Å; Y12-I470 HydrophobicContact CE1-CG2 4.32Å
13V89.5Confident83.4Confident94 Ų9476.8 Ų76.857%0.5742%0.422SS*.Hα-helixtrans-62.5-48175.6174.10000110.5G9 T10 F15 A16 V17G9-V13 WeakPolarHBondContact O-CG2 3.15Å; G9-V13 PolarHBondContact O-N 3.42Å; G9-V13 VanDerWaalsContact O-N 3.09Å; T10-V13 PolarHBondContact O-N 3.47Å; V13-F15 VanDerWaalsContact C-N 3.34Å; V13-F15 PolarHBondContact O-N 3.09Å; V13-A16 PolarHBondContact O-N 2.8Å; V13-V17 HydrophobicContact CG1-CG2 4.37Å; V13-V17 WeakPolarHBondContact O-CG2 3.27Å; V13-V17 PolarHBondContact O-N 3.22Å
14F89.3Confident85.3Confident132 Ų13269.9 Ų69.958%0.57940%0.403SS*.Hα-helixtrans-60.2-43.7175.7-79.5-70.7000112.1T10 A16 V17 S18 T466T10-F14 WeakPolarHBondContact O-CD2 3.49Å; T10-F14 PolarHBondContact O-N 2.75Å; F14-A16 PolarHBondContact O-N 3.14Å; F14-V17 PolarHBondContact O-N 2.91Å; F14-S18 WeakPolarHBondContact O-CB 3.42Å; F14-S18 PolarHBondContact O-N 3.13Å; F14-S18 PolarHBondContact O-OG 2.83Å; F14-S18 VanDerWaalsContact O-OG 3.06Å; F14-T466 HydrophobicContact CB-CG2 3.86Å
15F90.6Very high86.8Confident57 Ų5768.1 Ų68.125%0.2538%0.384CS..Hα-helixtrans-58.9-47.3175.7176.6-92000112A11 Y12 V13 S18 L19 I463 T467A11-F15 WeakPolarHBondContact O-CB 3.4Å; A11-F15 PolarHBondContact O-N 3.09Å; Y12-F15 PolarHBondContact O-N 3.25Å; V13-F15 VanDerWaalsContact C-N 3.34Å; V13-F15 PolarHBondContact O-N 3.09Å; F15-S18 PolarHBondContact O-N 3.19Å; F15-L19 HydrophobicContact CE1-CD2 4.16Å; F15-L19 VanDerWaalsContact O-CB 3.3Å; F15-L19 WeakPolarHBondContact O-CB 3.42Å; F15-L19 PolarHBondContact O-N 2.8Å; F15-I463 HydrophobicContact CD2-CG2 4.16Å; F15-I463 HydrophobicContact CE2-CG2 3.69Å; F15-T467 HydrophobicContact CD2-CG2 3.68Å; F15-T467 HydrophobicContact CE2-CG2 3.31Å; F15-T467 HydrophobicContact CZ-CG2 4.36Å
16A91.2Very high88.2Confident45 Ų4562.7 Ų62.737%0.37237%0.365SS..Hα-helixtrans-64.7-43.6-179.500000112.3Y12 V13 F14 L19 L20Y12-A16 WeakPolarHBondContact O-CB 3.15Å; Y12-A16 PolarHBondContact O-N 3.29Å; V13-A16 PolarHBondContact O-N 2.8Å; F14-A16 PolarHBondContact O-N 3.14Å; A16-L19 PolarHBondContact O-N 2.84Å; A16-L20 WeakPolarHBondContact O-CG 2.97Å; A16-L20 PolarHBondContact O-N 3.14Å
17V92.9Very high89.3Confident72 Ų7263.9 Ų63.944%0.43637%0.366SS..Hα-helixtrans-63.5-45.7176.2172.90000110.8V13 F14 L19 L20 L21V13-V17 HydrophobicContact CG1-CG2 4.37Å; V13-V17 WeakPolarHBondContact O-CG2 3.27Å; V13-V17 PolarHBondContact O-N 3.22Å; F14-V17 PolarHBondContact O-N 2.91Å; V17-L19 VanDerWaalsContact C-N 3.33Å; V17-L19 PolarHBondContact O-N 3.2Å; V17-L20 PolarHBondContact O-N 2.77Å; V17-L21 HydrophobicContact CG1-CD1 4.09Å; V17-L21 HydrophobicContact CG1-CG 4.47Å; V17-L21 WeakPolarHBondContact O-CG 3.29Å; V17-L21 PolarHBondContact O-N 2.94Å
18S91.8Very high90.2Very high11 Ų1165 Ų658%0.07737%0.368CS..Hα-helixtrans-66.2-34.5177.8-62.70000112.7F14 F15 F22 V462F14-S18 WeakPolarHBondContact O-CB 3.42Å; F14-S18 PolarHBondContact O-N 3.13Å; F14-S18 PolarHBondContact O-OG 2.83Å; F14-S18 VanDerWaalsContact O-OG 3.06Å; F15-S18 PolarHBondContact O-N 3.19Å; S18-F22 WeakPolarHBondContact O-CB 3.38Å; S18-F22 PolarHBondContact O-N 2.76Å; S18-V462 WeakPolarHBondContact OG-CG1 3.35Å
19L93.3Very high90.9Very high74 Ų7467 Ų6739%0.38738%0.377SS..Hα-helixtrans-65.7-42.6173.4-17565000111.6F15 A16 V17 F22 T23 I463F15-L19 HydrophobicContact CE1-CD2 4.16Å; F15-L19 VanDerWaalsContact O-CB 3.3Å; F15-L19 WeakPolarHBondContact O-CB 3.42Å; F15-L19 PolarHBondContact O-N 2.8Å; A16-L19 PolarHBondContact O-N 2.84Å; V17-L19 VanDerWaalsContact C-N 3.33Å; V17-L19 PolarHBondContact O-N 3.2Å; L19-F22 PolarHBondContact O-N 3.42Å; L19-T23 WeakPolarHBondContact O-CB 3.36Å; L19-T23 VanDerWaalsContact O-CG2 3.29Å; L19-T23 WeakPolarHBondContact O-CG2 3.32Å; L19-T23 PolarHBondContact O-N 3.28Å; L19-T23 PolarHBondContact O-OG1 3.08Å; L19-I463 HydrophobicContact CB-CD1 4.49Å; L19-I463 HydrophobicContact CD1-CD1 4.33Å
20L94.1Very high91.3Very high124 Ų12472.5 Ų72.565%0.64939%0.391SS*.Hα-helixtrans-62.6-45.7174.1-78.9164.2000112A16 V17 T23 G24A16-L20 WeakPolarHBondContact O-CG 2.97Å; A16-L20 PolarHBondContact O-N 3.14Å; V17-L20 PolarHBondContact O-N 2.77Å; L20-T23 WeakPolarHBondContact CA-OG1 3.48Å; L20-T23 PolarHBondContact O-N 2.88Å; L20-T23 PolarHBondContact O-OG1 3.27Å; L20-G24 PolarHBondContact O-N 3.06Å
21L94.1Very high91.7Very high93 Ų9375.5 Ų75.549%0.48739%0.394SS..Hα-helixtrans-65-41.4176.2-69.4174.2000111.8V17 G24 C25 C459V17-L21 HydrophobicContact CG1-CD1 4.09Å; V17-L21 HydrophobicContact CG1-CG 4.47Å; V17-L21 WeakPolarHBondContact O-CG 3.29Å; V17-L21 PolarHBondContact O-N 2.94Å; L21-G24 PolarHBondContact O-N 3.14Å; L21-C25 PolarHBondContact O-N 3.32Å; L21-C25 PolarHBondContact O-SG 3.5Å; L21-C25 VanDerWaalsContact O-SG 3.35Å; L21-C459 VanDerWaalsContact CB-SG 3.59Å
22F94.1Very high92Very high57 Ų5775.1 Ų75.125%0.2539%0.391CS..Hα-helixtrans-61.5-47.8176.5-178.2-101.1000111.5S18 L19 G24 C25 V26 G456 C459 L460 I463S18-F22 WeakPolarHBondContact O-CB 3.38Å; S18-F22 PolarHBondContact O-N 2.76Å; L19-F22 PolarHBondContact O-N 3.42Å; F22-G24 VanDerWaalsContact C-N 3.29Å; F22-G24 PolarHBondContact O-N 2.92Å; F22-C25 PolarHBondContact O-N 3.11Å; F22-C25 VanDerWaalsContact O-N 3.16Å; F22-V26 HydrophobicContact CD1-CG2 4.16Å; F22-V26 HydrophobicContact CE1-CG2 3.76Å; F22-V26 HydrophobicContact CE2-CG2 4.46Å; F22-V26 HydrophobicContact CZ-CG2 3.93Å; F22-V26 WeakPolarHBondContact O-CG2 3.42Å; F22-V26 PolarHBondContact O-N 2.93Å; F22-G456 WeakPolarHBondContact CD2-O 2.95Å; F22-C459 HydrophobicContact CB-CB 3.84Å; F22-C459 HydrophobicContact CD2-CB 4.18Å; F22-L460 HydrophobicContact CD2-CB 4.22Å; F22-L460 HydrophobicContact CE2-CB 4Å; F22-L460 HydrophobicContact CE2-CD1 4.15Å; F22-L460 HydrophobicContact CZ-CD1 4.26Å; F22-I463 HydrophobicContact CB-CD1 3.83Å; F22-I463 HydrophobicContact CG-CD1 4.12Å
23T93.2Very high92.1Very high66 Ų6672.5 Ų72.541%0.40539%0.385SS..Hα-helixtrans-60.9-39.5175.152.90000111.5L19 L20 V26 V27L19-T23 WeakPolarHBondContact O-CB 3.36Å; L19-T23 VanDerWaalsContact O-CG2 3.29Å; L19-T23 WeakPolarHBondContact O-CG2 3.32Å; L19-T23 PolarHBondContact O-N 3.28Å; L19-T23 PolarHBondContact O-OG1 3.08Å; L20-T23 WeakPolarHBondContact CA-OG1 3.48Å; L20-T23 PolarHBondContact O-N 2.88Å; L20-T23 PolarHBondContact O-OG1 3.27Å; T23-V26 PolarHBondContact O-N 3.37Å; T23-V27 WeakPolarHBondContact O-CG2 3.34Å; T23-V27 PolarHBondContact O-N 2.94Å
24G93.8Very high92.1Very high39 Ų3973.6 Ų73.640%0.40238%0.384SS..Hα-helixtrans-58.6-44.6171.300000113.5L20 L21 F22 V27 L28L20-G24 PolarHBondContact O-N 3.06Å; L21-G24 PolarHBondContact O-N 3.14Å; F22-G24 VanDerWaalsContact C-N 3.29Å; F22-G24 PolarHBondContact O-N 2.92Å; G24-V27 PolarHBondContact O-N 2.99Å; G24-L28 VanDerWaalsContact O-CB 3.32Å; G24-L28 WeakPolarHBondContact O-CB 3Å; G24-L28 PolarHBondContact O-N 2.93Å
25C93.3Very high92.2Very high10 Ų1070.6 Ų70.67%0.06838%0.376CS..Hα-helixtrans-65.4-38.5175.3-68.50000112.5L21 F22 L28 H29 V452L21-C25 PolarHBondContact O-N 3.32Å; L21-C25 PolarHBondContact O-SG 3.5Å; L21-C25 VanDerWaalsContact O-SG 3.35Å; F22-C25 PolarHBondContact O-N 3.11Å; F22-C25 VanDerWaalsContact O-N 3.16Å; C25-L28 PolarHBondContact O-N 3.25Å; C25-H29 WeakPolarHBondContact O-CB 3.44Å; C25-H29 PolarHBondContact O-N 3.34Å; C25-V452 HydrophobicContact CB-CG1 4.47Å; C25-V452 WeakPolarHBondContact O-CG1 3.36Å
26V92.4Very high92.2Very high57 Ų5768.6 Ų68.635%0.34537%0.367SS..Hα-helixtrans-63.8-46.1175.31720000110.2F22 T23 H29 F30F22-V26 HydrophobicContact CD1-CG2 4.16Å; F22-V26 HydrophobicContact CE1-CG2 3.76Å; F22-V26 HydrophobicContact CE2-CG2 4.46Å; F22-V26 HydrophobicContact CZ-CG2 3.93Å; F22-V26 WeakPolarHBondContact O-CG2 3.42Å; F22-V26 PolarHBondContact O-N 2.93Å; T23-V26 PolarHBondContact O-N 3.37Å; V26-H29 WeakPolarHBondContact O-CB 3.49Å; V26-H29 PolarHBondContact O-N 3.36Å; V26-F30 HydrophobicContact CG1-CD2 4.26Å; V26-F30 HydrophobicContact CG1-CE2 3.81Å; V26-F30 WeakPolarHBondContact O-CD2 3.39Å; V26-F30 PolarHBondContact O-N 3.49Å
27V93.4Very high92.3Very high80 Ų8067.5 Ų67.549%0.48536%0.355SS..Hα-helixtrans-59.8-50.4174.1171.70000110.1T23 G24 H29 F30 Y31T23-V27 WeakPolarHBondContact O-CG2 3.34Å; T23-V27 PolarHBondContact O-N 2.94Å; G24-V27 PolarHBondContact O-N 2.99Å; V27-H29 VanDerWaalsContact C-N 3.27Å; V27-H29 PolarHBondContact O-N 3.2Å; V27-F30 PolarHBondContact O-N 3.3Å; V27-Y31 HydrophobicContact CG1-CD2 3.74Å; V27-Y31 HydrophobicContact CG1-CE2 3.94Å; V27-Y31 WeakPolarHBondContact O-CD2 3.42Å; V27-Y31 PolarHBondContact O-N 3.14Å
28L92Very high92.2Very high73 Ų7368.1 Ų68.138%0.38236%0.359SS..Hα-helixtrans-59.3-38.7179.8-174.760.8000111.6G24 C25 F30 Y31 V32 V452G24-L28 VanDerWaalsContact O-CB 3.32Å; G24-L28 WeakPolarHBondContact O-CB 3Å; G24-L28 PolarHBondContact O-N 2.93Å; C25-L28 PolarHBondContact O-N 3.25Å; L28-F30 VanDerWaalsContact C-N 3.25Å; L28-F30 PolarHBondContact O-N 3.1Å; L28-Y31 CarbonylContact O-C 3.5Å; L28-Y31 PolarHBondContact O-N 3.42Å; L28-V32 WeakPolarHBondContact O-CA 3.49Å; L28-V32 WeakPolarHBondContact O-CB 3.49Å; L28-V32 PolarHBondContact O-N 2.9Å; L28-V452 HydrophobicContact CB-CG1 4.47Å; L28-V452 HydrophobicContact CD2-CG2 3.6Å; L28-V452 HydrophobicContact CG-CG2 3.88Å
29H90.9Very high92.1Very high75 Ų7571.5 Ų71.535%0.34738%0.376SS..Hα-helixtrans-56.6-38.3175.2171.958.4000112.7C25 V26 V27 V32 V452 Y453C25-H29 WeakPolarHBondContact O-CB 3.44Å; C25-H29 PolarHBondContact O-N 3.34Å; V26-H29 WeakPolarHBondContact O-CB 3.49Å; V26-H29 PolarHBondContact O-N 3.36Å; V27-H29 VanDerWaalsContact C-N 3.27Å; V27-H29 PolarHBondContact O-N 3.2Å; H29-V32 WeakPolarHBondContact O-CG1 3.39Å; H29-V452 HydrophobicContact CB-CG1 4.04Å; H29-Y453 AromaticContact CE1-CE1 3.55Å; H29-Y453 AromaticContact CE1-CZ 3.82Å; H29-Y453 PolarHBondContact CE1-OH 3.12Å; H29-Y453 AromaticContact ND1-CE1 3.35Å; H29-Y453 VanDerWaalsContact ND1-CE1 3.35Å; H29-Y453 WeakPolarHBondContact ND1-CE1 3.17Å; H29-Y453 AromaticContact ND1-CZ 3.81Å; H29-Y453 PolarHBondContact ND1-OH 2.96Å
30F91.6Very high92.1Very high150 Ų15068.2 Ų68.266%0.65836%0.358SS*.Hα-helixtrans-75.4-24176.1-70.3-69000113.8V26 V27 L28V26-F30 HydrophobicContact CG1-CD2 4.26Å; V26-F30 HydrophobicContact CG1-CE2 3.81Å; V26-F30 WeakPolarHBondContact O-CD2 3.39Å; V26-F30 PolarHBondContact O-N 3.49Å; V27-F30 PolarHBondContact O-N 3.3Å; L28-F30 VanDerWaalsContact C-N 3.25Å; L28-F30 PolarHBondContact O-N 3.1Å
31Y92Very high92Very high144 Ų14466.3 Ų66.357%0.56535%0.345SS*.Hα-helixtrans-109.4-7-176.1-68.6-74.8000114.8V27 L28 D33 Q34 V35V27-Y31 HydrophobicContact CG1-CD2 3.74Å; V27-Y31 HydrophobicContact CG1-CE2 3.94Å; V27-Y31 WeakPolarHBondContact O-CD2 3.42Å; V27-Y31 PolarHBondContact O-N 3.14Å; L28-Y31 CarbonylContact O-C 3.5Å; L28-Y31 PolarHBondContact O-N 3.42Å; Y31-D33 VanDerWaalsContact C-N 3.31Å; Y31-D33 PolarHBondContact O-N 3.07Å; Y31-Q34 PolarHBondContact O-N 2.98Å; Y31-Q34 VanDerWaalsContact O-N 3.08Å; Y31-V35 WeakPolarHBondContact O-CG2 3.5Å; Y31-V35 PolarHBondContact O-N 2.87Å
32V90.7Very high91.8Very high3 Ų369.1 Ų69.12%0.01835%0.353CS..Hα-helixtrans-59.7-41.3-172.664.20000111.7L28 H29 Q34 V35 F36 L448 N449 V452L28-V32 WeakPolarHBondContact O-CA 3.49Å; L28-V32 WeakPolarHBondContact O-CB 3.49Å; L28-V32 PolarHBondContact O-N 2.9Å; H29-V32 WeakPolarHBondContact O-CG1 3.39Å; V32-Q34 PolarHBondContact O-N 3.37Å; V32-V35 PolarHBondContact O-N 2.91Å; V32-F36 VanDerWaalsContact O-CB 3.28Å; V32-F36 WeakPolarHBondContact O-CB 3.26Å; V32-F36 PolarHBondContact O-N 3.04Å; V32-L448 HydrophobicContact CG2-CD2 3.46Å; V32-L448 VanDerWaalsContact CG2-CD2 3.46Å; V32-L448 HydrophobicContact CG2-CG 3.57Å; V32-N449 WeakPolarHBondContact CG1-OD1 3.08Å; V32-V452 HydrophobicContact CG2-CG2 4.38Å
33D89.4Confident91.7Very high66 Ų6671.4 Ų71.435%0.35336%0.363SS..Hα-helixtrans-64.7-40.1177.7-79.5-23000111.6Y31 F36 I37 K445Y31-D33 VanDerWaalsContact C-N 3.31Å; Y31-D33 PolarHBondContact O-N 3.07Å; D33-F36 PolarHBondContact O-N 3.04Å; D33-I37 WeakPolarHBondContact O-CB 2.98Å; D33-I37 VanDerWaalsContact O-CG1 3.23Å; D33-I37 WeakPolarHBondContact O-CG1 3.01Å; D33-I37 PolarHBondContact O-N 2.94Å; D33-K445 WeakPolarHBondContact OD1-CE 3Å; D33-K445 IonicContact OD1-NZ 3.66Å; D33-K445 PolarHBondContact OD1-NZ 3.39Å
34Q90.5Very high91.7Very high118 Ų11868.5 Ų68.555%0.55135%0.345SS*.Hα-helixtrans-68.2-40.9177.7-65.3-62.7-25.400111.9Y31 V32 I37 T38Y31-Q34 PolarHBondContact O-N 2.98Å; Y31-Q34 VanDerWaalsContact O-N 3.08Å; V32-Q34 PolarHBondContact O-N 3.37Å; Q34-I37 PolarHBondContact O-N 2.02Å; Q34-T38 WeakPolarHBondContact O-CB 3.45Å; Q34-T38 PolarHBondContact O-N 3.1Å; Q34-T38 PolarHBondContact O-OG1 3.2Å
35V90Very high91.8Very high68 Ų6868 Ų6841%0.41233%0.333SS..Hα-helixtrans-62.5-46.7174.3173.20000110Y31 V32 T38 I39Y31-V35 WeakPolarHBondContact O-CG2 3.5Å; Y31-V35 PolarHBondContact O-N 2.87Å; V32-V35 PolarHBondContact O-N 2.91Å; V35-T38 PolarHBondContact O-N 3.42Å; V35-I39 HydrophobicContact CG1-CD1 3.85Å; V35-I39 WeakPolarHBondContact O-CG1 3.48Å; V35-I39 PolarHBondContact O-N 3.45Å
36F91.9Very high92Very high15 Ų1567.5 Ų67.57%0.06633%0.33CS..Hα-helixtrans-60-47.9177.6179.8-102.3000111.9V32 D33 T38 I39 I40 L382 V441 K445 L448V32-F36 VanDerWaalsContact O-CB 3.28Å; V32-F36 WeakPolarHBondContact O-CB 3.26Å; V32-F36 PolarHBondContact O-N 3.04Å; D33-F36 PolarHBondContact O-N 3.04Å; F36-T38 VanDerWaalsContact C-N 3.29Å; F36-T38 PolarHBondContact O-N 3.09Å; F36-I39 PolarHBondContact O-N 3.48Å; F36-I40 HydrophobicContact CE1-CD1 3.79Å; F36-I40 HydrophobicContact CZ-CD1 3.62Å; F36-I40 WeakPolarHBondContact O-CB 3.36Å; F36-I40 PolarHBondContact O-N 3.39Å; F36-L382 HydrophobicContact CE1-CD2 3.79Å; F36-V441 VanDerWaalsContact CZ-O 3.31Å; F36-V441 WeakPolarHBondContact CZ-O 3.15Å; F36-K445 HydrophobicContact CD1-CB 4.27Å; F36-K445 HydrophobicContact CD1-CD 4.12Å; F36-K445 HydrophobicContact CD1-CG 4.12Å; F36-K445 HydrophobicContact CD2-CB 4.47Å; F36-K445 HydrophobicContact CE1-CB 3.81Å; F36-K445 HydrophobicContact CE1-CD 3.99Å; F36-K445 HydrophobicContact CE1-CG 4.07Å; F36-K445 HydrophobicContact CE2-CB 4.05Å; F36-K445 HydrophobicContact CG-CG 4.5Å; F36-K445 HydrophobicContact CZ-CB 3.71Å; F36-K445 HydrophobicContact CZ-CG 4.44Å; F36-L448 HydrophobicContact CB-CD2 4.17Å; F36-L448 HydrophobicContact CD2-CD2 4.2Å
37I92.1Very high92.1Very high22 Ų2265.7 Ų65.711%0.11332%0.319CS..Hα-helixtrans-58.3-41.7175.6-75.7168.4000111.1D33 Q34 I39 I40 K41 F256D33-I37 WeakPolarHBondContact O-CB 2.98Å; D33-I37 VanDerWaalsContact O-CG1 3.23Å; D33-I37 WeakPolarHBondContact O-CG1 3.01Å; D33-I37 PolarHBondContact O-N 2.94Å; Q34-I37 PolarHBondContact O-N 2.02Å; I37-I39 VanDerWaalsContact C-N 3.34Å; I37-I39 PolarHBondContact O-N 3.06Å; I37-I40 WeakPolarHBondContact O-CG2 3.43Å; I37-I40 PolarHBondContact O-N 3.34Å; I37-K41 HydrophobicContact CG2-CD 4.24Å; I37-K41 WeakPolarHBondContact O-CB 3.29Å; I37-K41 VanDerWaalsContact O-CG 3.28Å; I37-K41 WeakPolarHBondContact O-CG 3.24Å; I37-K41 PolarHBondContact O-N 2.91Å; I37-F256 HydrophobicContact CG1-CZ 4.48Å; I37-F256 HydrophobicContact CG2-CE1 3.89Å; I37-F256 HydrophobicContact CG2-CZ 3.85Å
38T91.2Very high92.1Very high85 Ų8565.4 Ų65.452%0.52132%0.319SS..Hα-helixtrans-65.1-39.2178.9-58.40000111.9Q34 V35 F36Q34-T38 WeakPolarHBondContact O-CB 3.45Å; Q34-T38 PolarHBondContact O-N 3.1Å; Q34-T38 PolarHBondContact O-OG1 3.2Å; V35-T38 PolarHBondContact O-N 3.42Å; F36-T38 VanDerWaalsContact C-N 3.29Å; F36-T38 PolarHBondContact O-N 3.09Å
39I90.8Very high92Very high83 Ų8365.1 Ų65.143%0.42633%0.334SS..Hα-helixtrans-68.7-48.3176.9-67.7166.6000110.1V35 F36 I37 K41 K42 F43V35-I39 HydrophobicContact CG1-CD1 3.85Å; V35-I39 WeakPolarHBondContact O-CG1 3.48Å; V35-I39 PolarHBondContact O-N 3.45Å; F36-I39 PolarHBondContact O-N 3.48Å; I37-I39 VanDerWaalsContact C-N 3.34Å; I37-I39 PolarHBondContact O-N 3.06Å; I39-K41 VanDerWaalsContact C-N 3.33Å; I39-K41 PolarHBondContact O-N 2.91Å; I39-K42 WeakPolarHBondContact O-CB 3.24Å; I39-K42 PolarHBondContact O-N 3.35Å; I39-F43 HydrophobicContact CG2-CD2 4.06Å; I39-F43 HydrophobicContact CG2-CE2 3.69Å; I39-F43 WeakPolarHBondContact O-CD2 3.28Å
40I91.9Very high92Very high4 Ų462.2 Ų62.22%0.02132%0.322CS..Hα-helixtrans-64.8-38.1-174.6-144.7171.4000111.7F36 I37 K42 F43 L44 F256 L382 T383 V441F36-I40 HydrophobicContact CE1-CD1 3.79Å; F36-I40 HydrophobicContact CZ-CD1 3.62Å; F36-I40 WeakPolarHBondContact O-CB 3.36Å; F36-I40 PolarHBondContact O-N 3.39Å; I37-I40 WeakPolarHBondContact O-CG2 3.43Å; I37-I40 PolarHBondContact O-N 3.34Å; I40-K42 PolarHBondContact O-N 3.22Å; I40-K42 VanDerWaalsContact O-N 3.13Å; I40-F43 PolarHBondContact O-N 3.16Å; I40-L44 HydrophobicContact CG1-CD1 4.39Å; I40-L44 HydrophobicContact CG1-CG 4.41Å; I40-L44 HydrophobicContact CG2-CD1 4.09Å; I40-L44 WeakPolarHBondContact O-CB 3.4Å; I40-L44 VanDerWaalsContact O-CG 3.26Å; I40-L44 WeakPolarHBondContact O-CG 3.44Å; I40-L44 PolarHBondContact O-N 3.37Å; I40-F256 HydrophobicContact CG2-CE2 3.82Å; I40-F256 HydrophobicContact CG2-CZ 4.01Å; I40-L382 HydrophobicContact CD1-CD2 4.17Å; I40-T383 HydrophobicContact CD1-CG2 4.47Å; I40-V441 HydrophobicContact CD1-CB 4.15Å; I40-V441 HydrophobicContact CD1-CG1 3.77Å; I40-V441 HydrophobicContact CD1-CG2 3.86Å
41K92.6Very high91.8Very high84 Ų8460.6 Ų60.637%0.36532%0.316SS..Hα-helixtrans-53.5-36.4176.5-79.7179.3-179-175.80112.6I37 I39 L44 L45 I220 F256I37-K41 HydrophobicContact CG2-CD 4.24Å; I37-K41 WeakPolarHBondContact O-CB 3.29Å; I37-K41 VanDerWaalsContact O-CG 3.28Å; I37-K41 WeakPolarHBondContact O-CG 3.24Å; I37-K41 PolarHBondContact O-N 2.91Å; I39-K41 VanDerWaalsContact C-N 3.33Å; I39-K41 PolarHBondContact O-N 2.91Å; K41-L44 PolarHBondContact O-N 2.03Å; K41-L45 WeakPolarHBondContact O-CG 3.33Å; K41-I220 HydrophobicContact CD-CG2 4.16Å; K41-I220 HydrophobicContact CG-CG1 4.38Å; K41-I220 HydrophobicContact CG-CG2 4.29Å; K41-F256 HydrophobicContact CD-CE1 4.38Å; K41-F256 HydrophobicContact CG-CE1 4.22Å; K41-F256 HydrophobicContact CG-CE2 4.1Å; K41-F256 HydrophobicContact CG-CZ 3.9Å
42K90.7Very high91.8Very high153 Ų15354.5 Ų54.567%0.66529%0.294SS*.Hα-helixtrans-68.4-40177.9-65.6-175.4177.8-176.20112.6I39 I40 L44I39-K42 WeakPolarHBondContact O-CB 3.24Å; I39-K42 PolarHBondContact O-N 3.35Å; I40-K42 PolarHBondContact O-N 3.22Å; I40-K42 VanDerWaalsContact O-N 3.13Å; K42-L44 VanDerWaalsContact C-N 3.28Å
43F90.5Very high91.9Very high104 Ų10455.1 Ų55.146%0.45630%0.296SS..Hα-helixtrans-71.2-26.8176.7-74.5-72.5000113.1I39 I40 L45 M440I39-F43 HydrophobicContact CG2-CD2 4.06Å; I39-F43 HydrophobicContact CG2-CE2 3.69Å; I39-F43 WeakPolarHBondContact O-CD2 3.28Å; I40-F43 PolarHBondContact O-N 3.16Å; F43-L45 VanDerWaalsContact C-N 3.31Å; F43-M440 HydrophobicContact CB-CE 3.32Å; F43-M440 HydrophobicContact CD1-CE 3.37Å; F43-M440 HydrophobicContact CD2-CE 3.92Å; F43-M440 HydrophobicContact CE1-CE 4.1Å; F43-M440 HydrophobicContact CG-CE 3.26Å
44L94.5Very high92Very high5 Ų554.8 Ų54.83%0.02629%0.292CS..THydrogen-bonded Turntrans-80.5-8.7-178-72.5-179.5000114.1I40 K41 K42 V52 I220 R223 F256 T383 L385I40-L44 HydrophobicContact CG1-CD1 4.39Å; I40-L44 HydrophobicContact CG1-CG 4.41Å; I40-L44 HydrophobicContact CG2-CD1 4.09Å; I40-L44 WeakPolarHBondContact O-CB 3.4Å; I40-L44 VanDerWaalsContact O-CG 3.26Å; I40-L44 WeakPolarHBondContact O-CG 3.44Å; I40-L44 PolarHBondContact O-N 3.37Å; K41-L44 PolarHBondContact O-N 2.03Å; K42-L44 VanDerWaalsContact C-N 3.28Å; L44-V52 HydrophobicContact CD2-CG2 4.03Å; L44-I220 HydrophobicContact CB-CD1 4Å; L44-R223 WeakPolarHBondContact O-CD 3.47Å; L44-R223 PolarHBondContact O-NH1 2.79Å; L44-F256 HydrophobicContact CD1-CD2 3.69Å; L44-F256 HydrophobicContact CD1-CE2 3.59Å; L44-T383 HydrophobicContact CD1-CG2 4.05Å; L44-T383 HydrophobicContact CD2-CG2 3.75Å; L44-T383 HydrophobicContact CG-CG2 4.5Å; L44-L385 HydrophobicContact CD2-CD1 4.47Å
45L96.1Very high91.9Very high28 Ų2851.6 Ų51.615%0.14729%0.286CS..SBendtrans-64.7143.3178.3-62.4178.2000111.4K41 F43 T47 S50 G216 V217 I220K41-L45 WeakPolarHBondContact O-CG 3.33Å; F43-L45 VanDerWaalsContact C-N 3.31Å; L45-T47 VanDerWaalsContact C-N 3.3Å; L45-T47 HydrophobicContact CB-CG2 3.96Å; L45-T47 PolarHBondContact O-N 2.85Å; L45-T47 VanDerWaalsContact O-N 3.16Å; L45-S50 VanDerWaalsContact O-CB 3.27Å; L45-S50 WeakPolarHBondContact O-CB 3.46Å; L45-S50 PolarHBondContact O-OG 3.42Å; L45-G216 VanDerWaalsContact CD2-C 3.48Å; L45-G216 WeakPolarHBondContact CD2-O 3.3Å; L45-V217 HydrophobicContact CD1-CG2 4.17Å; L45-V217 HydrophobicContact CD2-CG2 4.3Å; L45-I220 HydrophobicContact CD2-CD1 4.13Å
46L96.1Very high92Very high0 Ų049 Ų490%027%0.269CS..  trans-89.168.2175.6-168.769.3000109.8V52 F53 Y56 L114 L213 T215 R223 F253L46-V52 HydrophobicContact CD1-CG1 4.28Å; L46-F53 HydrophobicContact CD1-CB 4.05Å; L46-F53 HydrophobicContact CD1-CD2 4.01Å; L46-F53 HydrophobicContact CG-CD2 4.34Å; L46-Y56 HydrophobicContact CD1-CD1 4.1Å; L46-Y56 HydrophobicContact CD1-CG 4.12Å; L46-L114 HydrophobicContact CD2-CD2 3.63Å; L46-L114 HydrophobicContact CG-CD2 3.88Å; L46-L213 HydrophobicContact CD2-CD1 4.41Å; L46-T215 PolarHBondContact N-O 2.86Å; L46-T215 VanDerWaalsContact O-CB 3.31Å; L46-T215 WeakPolarHBondContact O-CB 3.42Å; L46-T215 WeakPolarHBondContact O-CG2 3.41Å; L46-R223 HydrophobicContact CB-CG 4.29Å; L46-F253 HydrophobicContact CD1-CZ 3.94Å; L46-F253 HydrophobicContact CD2-CE2 4.23Å; L46-F253 HydrophobicContact CD2-CZ 4.33Å
47T96Very high92Very high19 Ų1949.5 Ų49.512%0.11727%0.274CS..  trans-123.3160.3-174.954.40000110.9L45 G49 S50 F53 P110 P111 V217L45-T47 VanDerWaalsContact C-N 3.3Å; L45-T47 HydrophobicContact CB-CG2 3.96Å; L45-T47 PolarHBondContact O-N 2.85Å; L45-T47 VanDerWaalsContact O-N 3.16Å; T47-G49 PolarHBondContact O-N 3.42Å; T47-S50 WeakPolarHBondContact O-CB 3.4Å; T47-S50 PolarHBondContact O-N 3.15Å; T47-S50 VanDerWaalsContact O-N 3.08Å; T47-S50 PolarHBondContact O-OG 3.23Å; T47-S50 VanDerWaalsContact O-OG 3.12Å; T47-F53 VanDerWaalsContact O-CB 3.26Å; T47-F53 WeakPolarHBondContact O-CB 3.42Å; T47-P110 HydrophobicContact CG2-CB 4.19Å; T47-P111 HydrophobicContact CG2-CG 4.08Å; T47-V217 HydrophobicContact CG2-CG2 4.08Å
48P93.3Very high91.5Very high75 Ų7556.6 Ų56.649%0.48730%0.3SS..THydrogen-bonded Turntrans-52.4132.1179.1-23.130.7000112.3S50 F105 P111P48-S50 PolarHBondContact O-N 2.95Å; P48-F105 HydrophobicContact CB-CE2 4.32Å; P48-F105 HydrophobicContact CG-CD1 4.12Å; P48-F105 HydrophobicContact CG-CD2 3.63Å; P48-F105 HydrophobicContact CG-CE1 4.11Å; P48-F105 HydrophobicContact CG-CE2 3.62Å; P48-F105 HydrophobicContact CG-CG 3.86Å; P48-F105 HydrophobicContact CG-CZ 3.83Å; P48-P111 HydrophobicContact CG-CG 4.26Å
49G89.3Confident90.5Very high67 Ų6755 Ų5569%0.69129%0.288SS*.THydrogen-bonded Turntrans74.13178.600000115.8T47T47-G49 PolarHBondContact O-N 3.42Å
50S90.5Very high89.3Confident14 Ų1457.5 Ų57.510%0.09830%0.302CS..  trans-76.1146.2169.679.20000110.9L45 T47 P48 V52 F53 E54L45-S50 VanDerWaalsContact O-CB 3.27Å; L45-S50 WeakPolarHBondContact O-CB 3.46Å; L45-S50 PolarHBondContact O-OG 3.42Å; T47-S50 WeakPolarHBondContact O-CB 3.4Å; T47-S50 PolarHBondContact O-N 3.15Å; T47-S50 VanDerWaalsContact O-N 3.08Å; T47-S50 PolarHBondContact O-OG 3.23Å; T47-S50 VanDerWaalsContact O-OG 3.12Å; P48-S50 PolarHBondContact O-N 2.95Å; S50-V52 PolarHBondContact O-N 2.77Å; S50-F53 PolarHBondContact O-N 3.41Å; S50-F53 VanDerWaalsContact O-N 3.09Å; S50-F53 WeakPolarHBondContact OG-CB 3.28Å; S50-F53 PolarHBondContact OG-N 2.82Å; S50-F53 VanDerWaalsContact OG-N 3.11Å; S50-E54 PolarHBondContact O-N 3.34Å
51E87.7Confident88.5Confident116 Ų11658.5 Ų58.554%0.54231%0.309SS..Hα-helixtrans-57-37.6176.8-69.5-68.317400112.1E54 A55E51-E54 PolarHBondContact O-N 3.47Å; E51-A55 WeakPolarHBondContact O-CB 3.15Å; E51-A55 PolarHBondContact O-N 3.38Å
52V91.7Very high88.2Confident15 Ų1556.1 Ų56.19%0.09130%0.303CS..Hα-helixtrans-66.4-41.1177.3175.80000111.4L44 L46 S50 Y56 F253 L385L44-V52 HydrophobicContact CD2-CG2 4.03Å; L46-V52 HydrophobicContact CD1-CG1 4.28Å; S50-V52 PolarHBondContact O-N 2.77Å; V52-Y56 WeakPolarHBondContact O-CB 3.46Å; V52-Y56 PolarHBondContact O-N 3.43Å; V52-F253 HydrophobicContact CG1-CE1 3.71Å; V52-F253 HydrophobicContact CG1-CZ 4.28Å; V52-L385 HydrophobicContact CG1-CD2 4.23Å
53F93.6Very high88.3Confident17 Ų1749.9 Ų49.98%0.07528%0.276CS..Hα-helixtrans-68.7-41.6176175.7-106000112L46 T47 S50 A55 Y56 S57 F103 F105 L114L46-F53 HydrophobicContact CD1-CB 4.05Å; L46-F53 HydrophobicContact CD1-CD2 4.01Å; L46-F53 HydrophobicContact CG-CD2 4.34Å; T47-F53 VanDerWaalsContact O-CB 3.26Å; T47-F53 WeakPolarHBondContact O-CB 3.42Å; S50-F53 PolarHBondContact O-N 3.41Å; S50-F53 VanDerWaalsContact O-N 3.09Å; S50-F53 WeakPolarHBondContact OG-CB 3.28Å; S50-F53 PolarHBondContact OG-N 2.82Å; S50-F53 VanDerWaalsContact OG-N 3.11Å; F53-A55 VanDerWaalsContact C-N 3.34Å; F53-A55 PolarHBondContact O-N 3.49Å; F53-Y56 PolarHBondContact O-N 3.49Å; F53-S57 WeakPolarHBondContact O-CB 3.08Å; F53-S57 PolarHBondContact O-N 3.19Å; F53-S57 PolarHBondContact O-OG 2.93Å; F53-F103 AromaticContact CE2-CD1 3.79Å; F53-F103 HydrophobicContact CE2-CD1 3.79Å; F53-F103 HydrophobicContact CE2-CE1 4.16Å; F53-F103 HydrophobicContact CE2-CG 4.35Å; F53-F103 HydrophobicContact CZ-CB 4.26Å; F53-F103 AromaticContact CZ-CD1 3.98Å; F53-F103 HydrophobicContact CZ-CD1 3.98Å; F53-F103 HydrophobicContact CZ-CG 4.07Å; F53-F105 HydrophobicContact CD1-CZ 4.19Å; F53-F105 HydrophobicContact CD2-CE1 4.48Å; F53-F105 AromaticContact CD2-CZ 3.73Å; F53-F105 HydrophobicContact CD2-CZ 3.73Å; F53-F105 HydrophobicContact CE1-CE2 4.07Å; F53-F105 AromaticContact CE1-CZ 3.94Å; F53-F105 HydrophobicContact CE1-CZ 3.94Å; F53-F105 HydrophobicContact CE2-CE1 4.43Å; F53-F105 HydrophobicContact CE2-CE2 4.03Å; F53-F105 AromaticContact CE2-CZ 3.46Å; F53-F105 HydrophobicContact CE2-CZ 3.46Å; F53-F105 VanDerWaalsContact CE2-CZ 3.46Å; F53-F105 HydrophobicContact CG-CZ 4.09Å; F53-F105 AromaticContact CZ-CE2 3.7Å; F53-F105 HydrophobicContact CZ-CE2 3.7Å; F53-F105 AromaticContact CZ-CZ 3.57Å; F53-F105 HydrophobicContact CZ-CZ 3.57Å; F53-L114 HydrophobicContact CD2-CD2 3.98Å; F53-L114 HydrophobicContact CE2-CD1 4Å; F53-L114 HydrophobicContact CE2-CD2 3.76Å
54E90.7Very high88.6Confident58 Ų5846.6 Ų46.627%0.27126%0.263SS..Hα-helixtrans-60.2-44.5175.2-73-62.8132.800111.3S50 E51 S57 R58S50-E54 PolarHBondContact O-N 3.34Å; E51-E54 PolarHBondContact O-N 3.47Å; E54-S57 PolarHBondContact O-OG 3.19Å; E54-R58 WeakPolarHBondContact O-CB 3.42Å; E54-R58 VanDerWaalsContact O-CG 3.23Å; E54-R58 WeakPolarHBondContact O-CG 3.46Å; E54-R58 PolarHBondContact O-N 3.44Å; E54-R58 IonicContact OE2-CZ 3.25Å; E54-R58 VanDerWaalsContact OE2-CZ 3.25Å; E54-R58 IonicContact OE2-NE 2.95Å; E54-R58 PolarHBondContact OE2-NE 3.04Å; E54-R58 IonicContact OE2-NH2 2.79Å; E54-R58 PolarHBondContact OE2-NH2 3.29Å
55A89.1Confident88.6Confident51 Ų5146.3 Ų46.342%0.42126%0.262SS..Hα-helixtrans-63.5-44.817500000112.2E51 F53 D59E51-A55 WeakPolarHBondContact O-CB 3.15Å; E51-A55 PolarHBondContact O-N 3.38Å; F53-A55 VanDerWaalsContact C-N 3.34Å; F53-A55 PolarHBondContact O-N 3.49Å; A55-D59 WeakPolarHBondContact O-CA 3.28Å; A55-D59 PolarHBondContact O-N 2.8Å; A55-D59 VanDerWaalsContact O-N 3.1Å
56Y91.5Very high88.6Confident14 Ų1447.7 Ų47.76%0.05527%0.265CS..Hα-helixtrans-67.5-38.4-179.2177.3-97.5000113.2L46 V52 F53 D59 K100 F103 L114 H116 L213 E250 A252 F253L46-Y56 HydrophobicContact CD1-CD1 4.1Å; L46-Y56 HydrophobicContact CD1-CG 4.12Å; V52-Y56 WeakPolarHBondContact O-CB 3.46Å; V52-Y56 PolarHBondContact O-N 3.43Å; F53-Y56 PolarHBondContact O-N 3.49Å; Y56-D59 WeakPolarHBondContact O-CB 3.34Å; Y56-K100 HydrophobicContact CE1-CD 3.98Å; Y56-K100 PolarHBondContact O-NZ 3.44Å; Y56-F103 HydrophobicContact CE1-CE1 4.48Å; Y56-L114 HydrophobicContact CD1-CD2 4.5Å; Y56-L114 HydrophobicContact CE1-CD2 4.31Å; Y56-H116 AromaticContact CE1-NE2 3.95Å; Y56-H116 AromaticContact CZ-NE2 3.9Å; Y56-H116 PolarHBondContact OH-CE1 2.75Å; Y56-H116 VanDerWaalsContact OH-CE1 3.26Å; Y56-H116 PolarHBondContact OH-NE2 3.23Å; Y56-L213 HydrophobicContact CE1-CD1 4.45Å; Y56-E250 PolarHBondContact OH-OE2 3.03Å; Y56-A252 HydrophobicContact CE2-CB 4.43Å; Y56-F253 AromaticContact CD2-CE2 3.68Å; Y56-F253 HydrophobicContact CD2-CE2 3.68Å; Y56-F253 AromaticContact CD2-CZ 3.62Å; Y56-F253 HydrophobicContact CD2-CZ 3.62Å; Y56-F253 AromaticContact CE2-CE2 3.76Å; Y56-F253 HydrophobicContact CE2-CE2 3.76Å; Y56-F253 HydrophobicContact CE2-CZ 4.19Å; Y56-F253 HydrophobicContact CG-CE2 4.38Å; Y56-F253 HydrophobicContact CG-CZ 4.05Å
57S91.1Very high88.6Confident25 Ų2547.7 Ų47.718%0.17527%0.265CS..Hα-helixtrans-79.4-40.6-177.159.10000112.5F53 E54 D59F53-S57 WeakPolarHBondContact O-CB 3.08Å; F53-S57 PolarHBondContact O-N 3.19Å; F53-S57 PolarHBondContact O-OG 2.93Å; E54-S57 PolarHBondContact O-OG 3.19Å; S57-D59 VanDerWaalsContact C-N 3.3Å
58R83.2Confident88.6Confident172 Ų17248.8 Ų48.865%0.64927%0.267SS*.Hα-helixtrans-75.1-21.4177-68.3-178.8-169.3-169.33.3113.4E54 N60E54-R58 WeakPolarHBondContact O-CB 3.42Å; E54-R58 VanDerWaalsContact O-CG 3.23Å; E54-R58 WeakPolarHBondContact O-CG 3.46Å; E54-R58 PolarHBondContact O-N 3.44Å; E54-R58 IonicContact OE2-CZ 3.25Å; E54-R58 VanDerWaalsContact OE2-CZ 3.25Å; E54-R58 IonicContact OE2-NE 2.95Å; E54-R58 PolarHBondContact OE2-NE 3.04Å; E54-R58 IonicContact OE2-NH2 2.79Å; E54-R58 PolarHBondContact OE2-NH2 3.29Å; R58-N60 VanDerWaalsContact C-N 3.27Å; R58-N60 VanDerWaalsContact O-CG 3.26Å; R58-N60 PolarHBondContact O-N 3.37Å; R58-N60 PolarHBondContact O-OD1 2.91Å
59D68.7Low88.8Confident52 Ų5245.3 Ų45.328%0.27824%0.244SC..  trans-21.183.4-173.7-168.112.8000113.5A55 Y56 S57 T61 K100A55-D59 WeakPolarHBondContact O-CA 3.28Å; A55-D59 PolarHBondContact O-N 2.8Å; A55-D59 VanDerWaalsContact O-N 3.1Å; Y56-D59 WeakPolarHBondContact O-CB 3.34Å; S57-D59 VanDerWaalsContact C-N 3.3Å; D59-T61 PolarHBondContact O-N 3.06Å; D59-T61 WeakPolarHBondContact OD1-CB 3.11Å; D59-T61 PolarHBondContact OD1-N 3.34Å; D59-T61 PolarHBondContact OD1-OG1 3.27Å; D59-K100 IonicContact OD2-NZ 3.38Å; D59-K100 PolarHBondContact OD2-NZ 2.99Å
60N66.9Low89.2Confident135 Ų13542.2 Ų42.272%0.72221%0.212SC*.  trans-86.910.2176.6-82.6-22.1000110R58 S62R58-N60 VanDerWaalsContact C-N 3.27Å; R58-N60 VanDerWaalsContact O-CG 3.26Å; R58-N60 PolarHBondContact O-N 3.37Å; R58-N60 PolarHBondContact O-OD1 2.91Å; N60-S62 PolarHBondContact O-N 3.34Å; N60-S62 PolarHBondContact O-OG 2.8Å
61T74.9Confident89.5Confident25 Ų2541.9 Ų41.915%0.15321%0.209CC..  trans-62113.4-179.3-490000108.1D59 V427 Y428D59-T61 PolarHBondContact O-N 3.06Å; D59-T61 WeakPolarHBondContact OD1-CB 3.11Å; D59-T61 PolarHBondContact OD1-N 3.34Å; D59-T61 PolarHBondContact OD1-OG1 3.27Å; T61-V427 HydrophobicContact CG2-CG2 3.28Å; T61-Y428 VanDerWaalsContact CG2-O 3.27Å; T61-Y428 WeakPolarHBondContact CG2-O 3.04Å
62S85.5Confident90Very high34 Ų3436.6 Ų36.624%0.23818%0.184CC..EExtended strand (participates in β ladder)trans-92123.1178-59.30000108N60N60-S62 PolarHBondContact O-N 3.34Å; N60-S62 PolarHBondContact O-OG 2.8Å
63I94Very high90.3Very high22 Ų2240.2 Ų40.211%0.11320%0.203CC..EExtended strand (participates in β ladder)trans-78.6127.8177.5-59.7163.5000107.1T65 K96 M98 N425 V427I63-T65 PolarHBondContact O-N 3.08Å; I63-K96 HydrophobicContact CB-CB 4.08Å; I63-K96 HydrophobicContact CD1-CD 4.11Å; I63-K96 HydrophobicContact CD1-CG 4.42Å; I63-K96 PolarHBondContact N-O 3.48Å; I63-K96 PolarHBondContact O-N 2.72Å; I63-M98 HydrophobicContact CD1-CG 4.29Å; I63-M98 HydrophobicContact CD1-SD 3.56Å; I63-M98 VanDerWaalsContact CD1-SD 3.56Å; I63-N425 HydrophobicContact CG2-CB 3.72Å; I63-V427 HydrophobicContact CB-CB 4.41Å; I63-V427 HydrophobicContact CB-CG2 4.49Å; I63-V427 HydrophobicContact CG1-CB 3.89Å; I63-V427 HydrophobicContact CG1-CG2 3.67Å; I63-V427 HydrophobicContact CG2-CB 4.41Å
64I95.5Very high90.5Very high34 Ų3440.3 Ų40.317%0.17420%0.204CC..EExtended strand (participates in β ladder)trans-82.7109169.5-61.8177.1000106.8R66 V93 W95 N425 E426I64-R66 HydrophobicContact CG2-CG 4.3Å; I64-V93 HydrophobicContact CG2-CG1 3.77Å; I64-W95 HydrophobicContact CD1-CH2 4.07Å; I64-W95 HydrophobicContact CD1-CZ3 3.99Å; I64-W95 HydrophobicContact CG1-CE3 3.92Å; I64-W95 HydrophobicContact CG1-CH2 3.93Å; I64-W95 HydrophobicContact CG1-CZ3 3.4Å; I64-N425 WeakPolarHBondContact O-CA 3.2Å; I64-E426 PolarHBondContact N-O 3.13Å; I64-E426 PolarHBondContact O-N 3.02Å
65T95.5Very high90.6Very high0 Ų041 Ų410%021%0.208CC..EExtended strand (participates in β ladder)trans-100.7117.5176.9-61.30000109.5I63 L67 V93 Y94 Y122 I423 N425I63-T65 PolarHBondContact O-N 3.08Å; T65-L67 HydrophobicContact CG2-CD2 3.53Å; T65-L67 HydrophobicContact CG2-CG 3.97Å; T65-V93 CarbonylContact O-C 3.54Å; T65-V93 WeakPolarHBondContact O-CA 3.28Å; T65-Y94 PolarHBondContact N-O 3.28Å; T65-Y94 PolarHBondContact O-N 3.02Å; T65-Y122 HydrophobicContact CG2-CE1 4.16Å; T65-I423 HydrophobicContact CG2-CG2 4.12Å; T65-N425 WeakPolarHBondContact CA-OD1 3.43Å; T65-N425 WeakPolarHBondContact CB-OD1 3.48Å; T65-N425 WeakPolarHBondContact CG2-OD1 3.36Å; T65-N425 PolarHBondContact OG1-OD1 3.01Å
66R96.1Very high90.9Very high56 Ų5644.8 Ų44.821%0.21122%0.216CC..EExtended strand (participates in β ladder)trans-104.1122.3174.3-56.8-177.4179.183.7-5.9108.9I64 Y68 P91 V93 V424 E426I64-R66 HydrophobicContact CG2-CG 4.3Å; R66-Y68 HydrophobicContact CB-CE2 3.8Å; R66-P91 HydrophobicContact CB-CB 3.84Å; R66-P91 HydrophobicContact CG-CB 4.33Å; R66-V93 HydrophobicContact CG-CG1 4.41Å; R66-V93 HydrophobicContact CG-CG2 4.11Å; R66-V424 HydrophobicContact CB-CB 4.27Å; R66-V424 PolarHBondContact N-O 3.25Å; R66-V424 PolarHBondContact O-N 2.98Å; R66-E426 IonicContact CZ-OE2 2.82Å; R66-E426 IonicContact NH1-OE2 3.76Å; R66-E426 PolarHBondContact NH1-OE2 3.15Å; R66-E426 IonicContact NH2-OE2 3.17Å; R66-E426 PolarHBondContact NH2-OE2 3.46Å
67L95.7Very high91Very high0 Ų049.6 Ų49.60%024%0.239CC..EExtended strand (participates in β ladder)trans-110.8128.6-177.9-58.3-177.8000110.2T65 P91 Y92 Y94 I176 F200 I421 I423T65-L67 HydrophobicContact CG2-CD2 3.53Å; T65-L67 HydrophobicContact CG2-CG 3.97Å; L67-P91 CarbonylContact O-C 3.58Å; L67-P91 WeakPolarHBondContact O-CA 3.36Å; L67-Y92 WeakPolarHBondContact CB-O 3.3Å; L67-Y92 PolarHBondContact N-O 2.85Å; L67-Y92 PolarHBondContact O-N 2.96Å; L67-Y94 HydrophobicContact CD1-CD2 3.92Å; L67-Y94 HydrophobicContact CD1-CE2 3.86Å; L67-Y94 HydrophobicContact CG-CD2 4.39Å; L67-I176 HydrophobicContact CB-CD1 4.42Å; L67-I176 HydrophobicContact CD1-CD1 3.81Å; L67-I176 HydrophobicContact CD1-CG1 4.25Å; L67-I176 HydrophobicContact CD1-CG2 3.82Å; L67-F200 HydrophobicContact CD1-CE2 4.26Å; L67-F200 HydrophobicContact CD1-CZ 4.42Å; L67-F200 HydrophobicContact CD2-CE2 4.41Å; L67-F200 HydrophobicContact CD2-CZ 3.91Å; L67-I421 HydrophobicContact CB-CD1 3.97Å; L67-I421 HydrophobicContact CD1-CD1 4.29Å; L67-I421 HydrophobicContact CD2-CD1 4.04Å; L67-I421 HydrophobicContact CG-CD1 4.33Å; L67-I423 HydrophobicContact CD2-CB 4.17Å; L67-I423 HydrophobicContact CD2-CG1 3.91Å; L67-I423 HydrophobicContact CD2-CG2 3.83Å
68Y96.2Very high91.2Very high43 Ų4348.5 Ų48.517%0.16923%0.231CC..EExtended strand (participates in β ladder)trans-120.3119.6178.8-60.3-99.7000108.7R66 E88 V89 P91 I421 R422 V424R66-Y68 HydrophobicContact CB-CE2 3.8Å; Y68-E88 HydrophobicContact CD1-CG 4.17Å; Y68-E88 WeakPolarHBondContact CD1-OE1 3.17Å; Y68-E88 HydrophobicContact CG-CG 4.36Å; Y68-V89 WeakPolarHBondContact CA-O 3.3Å; Y68-P91 HydrophobicContact CD1-CB 4.42Å; Y68-P91 HydrophobicContact CE1-CB 3.83Å; Y68-P91 HydrophobicContact CE1-CG 4.24Å; Y68-P91 HydrophobicContact CE2-CB 4.02Å; Y68-I421 CarbonylContact O-C 3.56Å; Y68-I421 VanDerWaalsContact O-CA 3.29Å; Y68-I421 WeakPolarHBondContact O-CA 3.21Å; Y68-I421 VanDerWaalsContact O-CG1 3.3Å; Y68-I421 WeakPolarHBondContact O-CG1 3.44Å; Y68-R422 PolarHBondContact N-O 3.28Å; Y68-R422 PolarHBondContact O-N 3.31Å; Y68-V424 HydrophobicContact CD2-CG2 4.44Å; Y68-V424 HydrophobicContact CE2-CB 4.45Å; Y68-V424 HydrophobicContact CE2-CG2 4.04Å
69L96.8Very high91.5Very high1 Ų142.7 Ų42.71%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-97139.1-178.3-65.7173.7000110N71 V89 Y92 I138 P172 I175 I176 I421L69-N71 PolarHBondContact O-N 3.06Å; L69-V89 PolarHBondContact N-O 3.43Å; L69-V89 PolarHBondContact O-N 3.37Å; L69-Y92 HydrophobicContact CD1-CD2 4.14Å; L69-Y92 HydrophobicContact CD1-CE2 3.86Å; L69-Y92 HydrophobicContact CG-CD2 4.33Å; L69-Y92 HydrophobicContact CG-CE2 4.23Å; L69-I138 HydrophobicContact CB-CD1 3.88Å; L69-I138 HydrophobicContact CB-CG2 4.45Å; L69-I138 HydrophobicContact CD1-CD1 3.58Å; L69-I138 HydrophobicContact CG-CD1 4.37Å; L69-P172 HydrophobicContact CD1-CB 3.74Å; L69-P172 HydrophobicContact CD1-CG 4.31Å; L69-I175 HydrophobicContact CD1-CB 4.46Å; L69-I175 HydrophobicContact CD1-CD1 4.45Å; L69-I175 HydrophobicContact CD2-CG2 3.95Å; L69-I176 HydrophobicContact CD1-CD1 4.24Å; L69-I176 HydrophobicContact CD1-CG1 4.3Å; L69-I176 HydrophobicContact CD2-CG1 4.18Å; L69-I421 HydrophobicContact CD2-CB 4.06Å; L69-I421 HydrophobicContact CD2-CD1 3.65Å; L69-I421 HydrophobicContact CD2-CG1 3.76Å
70F97.6Very high92.6Very high2 Ų247.3 Ų47.31%0.00923%0.231CC..EExtended strand (participates in β ladder)trans-89.3107.7175.9-67-85.3000110F86 E88 Q394 P419 I420 R422F70-F86 HydrophobicContact CB-CD1 3.71Å; F70-F86 HydrophobicContact CB-CE1 4.15Å; F70-F86 HydrophobicContact CB-CG 4.26Å; F70-F86 HydrophobicContact CD1-CB 4.43Å; F70-E88 HydrophobicContact CD1-CB 4.47Å; F70-E88 HydrophobicContact CE1-CB 4.35Å; F70-E88 HydrophobicContact CE1-CG 4.31Å; F70-Q394 HydrophobicContact CE2-CG 4.03Å; F70-Q394 HydrophobicContact CZ-CG 4.45Å; F70-Q394 VanDerWaalsContact CZ-OE1 3.24Å; F70-P419 HydrophobicContact CB-CB 4.23Å; F70-P419 HydrophobicContact CB-CG 4.13Å; F70-P419 HydrophobicContact CD1-CB 4.15Å; F70-P419 HydrophobicContact CD1-CG 4.22Å; F70-P419 HydrophobicContact CD2-CB 3.62Å; F70-P419 HydrophobicContact CD2-CG 4.39Å; F70-P419 HydrophobicContact CE1-CB 4.44Å; F70-P419 HydrophobicContact CE2-CB 3.93Å; F70-P419 HydrophobicContact CG-CB 3.72Å; F70-P419 HydrophobicContact CG-CG 3.99Å; F70-P419 HydrophobicContact CZ-CB 4.34Å; F70-I420 PolarHBondContact N-O 3.34Å; F70-R422 HydrophobicContact CE2-CB 3.96Å; F70-R422 HydrophobicContact CZ-CB 4.19Å
71N97.4Very high93.8Very high7 Ų741.4 Ų41.44%0.03720%0.202CC..EExtended strand (participates in β ladder)trans-88.2117.8-179.7-179.234.8000111L69 L73 F86 E87 V89 I138 T139L69-N71 PolarHBondContact O-N 3.06Å; N71-L73 VanDerWaalsContact ND2-CD2 3.32Å; N71-L73 WeakPolarHBondContact ND2-CD2 3.48Å; N71-L73 PolarHBondContact O-N 3.03Å; N71-F86 CarbonylContact O-C 3.58Å; N71-F86 WeakPolarHBondContact O-CA 3.34Å; N71-E87 HydrophobicContact CB-CB 4.49Å; N71-E87 WeakPolarHBondContact CB-O 3.46Å; N71-E87 PolarHBondContact N-O 2.81Å; N71-E87 PolarHBondContact ND2-OE2 3.28Å; N71-E87 PolarHBondContact O-N 2.79Å; N71-V89 HydrophobicContact CB-CG2 3.65Å; N71-I138 HydrophobicContact CB-CG2 3.95Å; N71-T139 PolarHBondContact OD1-N 2.79Å
72L98.1Very high94.7Very high5 Ų541.1 Ų41.13%0.02620%0.204CC..EExtended strand (participates in β ladder)trans-78.4117.6177.3-17768.7000110.8E75 V78 P84 F86 T139 F167L72-E75 HydrophobicContact CD2-CB 4.01Å; L72-V78 HydrophobicContact CD1-CG2 4.12Å; L72-P84 HydrophobicContact CD1-CB 3.81Å; L72-F86 HydrophobicContact CB-CD1 4.28Å; L72-F86 HydrophobicContact CB-CE1 3.78Å; L72-F86 HydrophobicContact CB-CZ 4.43Å; L72-F86 HydrophobicContact CD1-CD1 4.44Å; L72-F86 HydrophobicContact CD1-CE1 3.96Å; L72-F86 HydrophobicContact CD1-CE2 4.34Å; L72-F86 HydrophobicContact CD1-CZ 3.88Å; L72-F86 HydrophobicContact CG-CE1 4.47Å; L72-T139 HydrophobicContact CB-CG2 4.17Å; L72-T139 PolarHBondContact N-O 2.86Å; L72-F167 HydrophobicContact CD2-CD1 3.89Å; L72-F167 HydrophobicContact CD2-CD2 3.94Å; L72-F167 HydrophobicContact CD2-CE1 3.66Å; L72-F167 HydrophobicContact CD2-CE2 3.72Å; L72-F167 HydrophobicContact CD2-CG 4.07Å; L72-F167 HydrophobicContact CD2-CZ 3.58Å
73L98Very high95.2Very high91 Ų9142.7 Ų42.748%0.47621%0.206SC..SBendtrans-90.6-20.5-174.9-62.5-174.3000114.5N71 L85 E87N71-L73 VanDerWaalsContact ND2-CD2 3.32Å; N71-L73 WeakPolarHBondContact ND2-CD2 3.48Å; N71-L73 PolarHBondContact O-N 3.03Å; L73-L85 HydrophobicContact CB-CD2 4.17Å; L73-L85 HydrophobicContact CB-CG 4.24Å; L73-L85 HydrophobicContact CD1-CD2 4.19Å; L73-L85 HydrophobicContact CD1-CG 4.26Å; L73-L85 PolarHBondContact N-O 3.1Å; L73-E87 HydrophobicContact CD1-CB 3.94Å; L73-E87 HydrophobicContact CD2-CB 4.25Å; L73-E87 HydrophobicContact CG-CB 4.15Å
74N97Very high95.4Very high20 Ų2041.6 Ų41.611%0.10720%0.201CC..  trans-128.148.9-171.369.5-27.7000113.4E76 E77 V78 K83 L85N74-E76 VanDerWaalsContact C-N 3.3Å; N74-E76 PolarHBondContact O-N 3.01Å; N74-E77 HydrophobicContact CB-CB 4.23Å; N74-E77 HydrophobicContact CB-CG 4.32Å; N74-E77 PolarHBondContact ND2-OE2 3.32Å; N74-E77 PolarHBondContact O-N 3.07Å; N74-E77 VanDerWaalsContact O-N 3.09Å; N74-V78 WeakPolarHBondContact O-CG2 3.46Å; N74-V78 PolarHBondContact O-N 2.87Å; N74-K83 PolarHBondContact ND2-O 2.83Å; N74-L85 HydrophobicContact CB-CB 4.48Å; N74-L85 WeakPolarHBondContact OD1-CB 3.02Å; N74-L85 PolarHBondContact OD1-N 2.88Å
75E94.7Very high95.5Very high73 Ų7342.9 Ų42.934%0.34121%0.208SC..Hα-helixtrans-51.8-42.5-176.364.4169.4-156.800114.2L72 E77 V78 L79 F167L72-E75 HydrophobicContact CD2-CB 4.01Å; E75-E77 VanDerWaalsContact C-N 3.33Å; E75-E77 PolarHBondContact O-N 3.35Å; E75-V78 PolarHBondContact O-N 3.27Å; E75-L79 WeakPolarHBondContact O-CB 3.22Å; E75-L79 VanDerWaalsContact O-CG 3.28Å; E75-L79 WeakPolarHBondContact O-CG 3.24Å; E75-L79 PolarHBondContact O-N 2.93Å; E75-F167 HydrophobicContact CB-CD2 3.86Å; E75-F167 HydrophobicContact CB-CE2 4.29Å
76E94Very high95.6Very high129 Ų12943.3 Ų43.360%0.60321%0.21SC*.Hα-helixtrans-67.7-33.7-177.9-66.2-167.6-179.400112.7N74 K80N74-E76 VanDerWaalsContact C-N 3.3Å; N74-E76 PolarHBondContact O-N 3.01Å; E76-K80 WeakPolarHBondContact O-CD 3.13Å; E76-K80 WeakPolarHBondContact O-CG 3.47Å; E76-K80 PolarHBondContact O-N 3.4Å
77E95.2Very high95.7Very high116 Ų11644.5 Ų44.554%0.54222%0.218SC..Hα-helixtrans-72-45.2176.2-65.1-178.1173.500110N74 E75 L79 K80 G81 G82N74-E77 HydrophobicContact CB-CB 4.23Å; N74-E77 HydrophobicContact CB-CG 4.32Å; N74-E77 PolarHBondContact ND2-OE2 3.32Å; N74-E77 PolarHBondContact O-N 3.07Å; N74-E77 VanDerWaalsContact O-N 3.09Å; E75-E77 VanDerWaalsContact C-N 3.33Å; E75-E77 PolarHBondContact O-N 3.35Å; E77-L79 VanDerWaalsContact C-N 3.29Å; E77-L79 PolarHBondContact O-N 3.04Å; E77-K80 CarbonylContact O-C 3.49Å; E77-K80 WeakPolarHBondContact O-CA 3.31Å; E77-K80 WeakPolarHBondContact O-CB 3.18Å; E77-K80 PolarHBondContact O-N 2.95Å; E77-G81 PolarHBondContact O-N 2.85Å; E77-G82 WeakPolarHBondContact O-CA 3.32Å; E77-G82 PolarHBondContact O-N 2.82Å
78V93.9Very high95.7Very high1 Ų147.3 Ų47.31%0.00623%0.231CC..Hα-helixtrans-57.1-46.2177.3172.90000110.5L72 N74 E75 K80 G81 P84 F167 M412 F418L72-V78 HydrophobicContact CD1-CG2 4.12Å; N74-V78 WeakPolarHBondContact O-CG2 3.46Å; N74-V78 PolarHBondContact O-N 2.87Å; E75-V78 PolarHBondContact O-N 3.27Å; V78-K80 PolarHBondContact O-N 3.49Å; V78-G81 PolarHBondContact O-N 3.39Å; V78-P84 HydrophobicContact CG1-CG 4.27Å; V78-P84 VanDerWaalsContact CG2-CA 3.47Å; V78-P84 HydrophobicContact CG2-CB 3.82Å; V78-P84 HydrophobicContact CG2-CG 3.92Å; V78-F167 HydrophobicContact CG1-CE2 4.22Å; V78-F167 HydrophobicContact CG1-CZ 3.88Å; V78-M412 HydrophobicContact CG1-CE 3.61Å; V78-M412 HydrophobicContact CG1-CG 3.96Å; V78-M412 HydrophobicContact CG1-SD 4.01Å; V78-M412 VanDerWaalsContact O-CG 3.24Å; V78-M412 WeakPolarHBondContact O-CG 3.32Å; V78-F418 HydrophobicContact CG1-CZ 4.47Å
79L90.9Very high95.6Very high51 Ų5146 Ų4627%0.26723%0.227SC..THydrogen-bonded Turntrans-57.4-20.6174.9-79174.6000114.3E75 E77 P166 F167 F409 L411 M412E75-L79 WeakPolarHBondContact O-CB 3.22Å; E75-L79 VanDerWaalsContact O-CG 3.28Å; E75-L79 WeakPolarHBondContact O-CG 3.24Å; E75-L79 PolarHBondContact O-N 2.93Å; E77-L79 VanDerWaalsContact C-N 3.29Å; E77-L79 PolarHBondContact O-N 3.04Å; L79-P166 HydrophobicContact CD2-CG 3.7Å; L79-F167 HydrophobicContact CD2-CE2 4.4Å; L79-F167 HydrophobicContact CG-CE2 4.21Å; L79-F409 HydrophobicContact CD2-CD1 3.45Å; L79-F409 VanDerWaalsContact CD2-CD1 3.45Å; L79-F409 HydrophobicContact CD2-CE1 4.06Å; L79-L411 WeakPolarHBondContact O-CB 3.28Å; L79-M412 HydrophobicContact CD2-CG 4.48Å; L79-M412 HydrophobicContact CD2-SD 4.23Å
80K91.6Very high95.5Very high148 Ų14846.9 Ų46.964%0.64324%0.237SC*.THydrogen-bonded Turntrans-101.67.6176.6-64.2166.5-170.8162.50112.9E76 E77 V78E76-K80 WeakPolarHBondContact O-CD 3.13Å; E76-K80 WeakPolarHBondContact O-CG 3.47Å; E76-K80 PolarHBondContact O-N 3.4Å; E77-K80 CarbonylContact O-C 3.49Å; E77-K80 WeakPolarHBondContact O-CA 3.31Å; E77-K80 WeakPolarHBondContact O-CB 3.18Å; E77-K80 PolarHBondContact O-N 2.95Å; V78-K80 PolarHBondContact O-N 3.49Å
81G91.2Very high95.4Very high11 Ų1148.1 Ų48.111%0.11325%0.245CC..THydrogen-bonded Turntrans89.718.3-177.600000114.3E77 V78 L411 R413E77-G81 PolarHBondContact O-N 2.85Å; V78-G81 PolarHBondContact O-N 3.39Å; G81-L411 WeakPolarHBondContact CA-O 3.31Å; G81-L411 PolarHBondContact N-O 2.79Å; G81-L411 VanDerWaalsContact N-O 3.14Å; G81-R413 WeakPolarHBondContact O-CD 3.41Å; G81-R413 WeakPolarHBondContact O-CG 3.45Å; G81-R413 PolarHBondContact O-NE 2.91Å; G81-R413 PolarHBondContact O-NH2 2.82Å
82G94.7Very high95.2Very high19 Ų1947.8 Ų47.820%0.19624%0.243CC..PPolyproline II helixtrans-70.2163.2169.500000112.6E77E77-G82 WeakPolarHBondContact O-CA 3.32Å; E77-G82 PolarHBondContact O-N 2.82Å
83K95.9Very high95.1Very high67 Ų6747.6 Ų47.629%0.29124%0.242SC..PPolyproline II helixtrans-78.7128.6176-167.1-178.4179.5-163.90109.3N74 L85 N360 Q361 F362 N363N74-K83 PolarHBondContact ND2-O 2.83Å; K83-L85 PolarHBondContact O-N 3.1Å; K83-N360 WeakPolarHBondContact CE-O 3.5Å; K83-N360 PolarHBondContact NZ-O 3.12Å; K83-Q361 WeakPolarHBondContact CE-O 3.48Å; K83-Q361 WeakPolarHBondContact CG-O 3.42Å; K83-F362 VanDerWaalsContact CE-C 3.41Å; K83-F362 WeakPolarHBondContact CE-O 3.38Å; K83-F362 PolarHBondContact NZ-O 3.46Å; K83-N363 WeakPolarHBondContact CD-OD1 3.26Å; K83-N363 WeakPolarHBondContact CE-OD1 3.41Å; K83-N363 PolarHBondContact NZ-OD1 3.13Å
84P97.2Very high94.9Very high0 Ų043.4 Ų43.40%022%0.22CC..PPolyproline II helixtrans-64135.3179-17.428.2000112.3L72 V78 F86 F362 N363 Y416 F418L72-P84 HydrophobicContact CD1-CB 3.81Å; V78-P84 HydrophobicContact CG1-CG 4.27Å; V78-P84 VanDerWaalsContact CG2-CA 3.47Å; V78-P84 HydrophobicContact CG2-CB 3.82Å; V78-P84 HydrophobicContact CG2-CG 3.92Å; P84-F86 HydrophobicContact CB-CD2 4.38Å; P84-F86 HydrophobicContact CB-CE2 3.81Å; P84-F86 HydrophobicContact CB-CZ 4.43Å; P84-F362 HydrophobicContact CB-CD1 3.98Å; P84-F362 HydrophobicContact CG-CD1 3.97Å; P84-F362 HydrophobicContact CG-CE1 4.19Å; P84-N363 PolarHBondContact O-N 2.92Å; P84-Y416 WeakPolarHBondContact CD-OH 3.22Å; P84-Y416 HydrophobicContact CG-CE1 4.23Å; P84-F418 HydrophobicContact CB-CE1 4.17Å; P84-F418 HydrophobicContact CG-CE1 3.86Å; P84-F418 HydrophobicContact CG-CZ 3.97Å
85L98.2Very high94.7Very high61 Ų6146.7 Ų46.732%0.31923%0.231SC..BIsolated β-bridgetrans-112.2116.1174.6175.164.6000108.9L73 N74 K83 N363L73-L85 HydrophobicContact CB-CD2 4.17Å; L73-L85 HydrophobicContact CB-CG 4.24Å; L73-L85 HydrophobicContact CD1-CD2 4.19Å; L73-L85 HydrophobicContact CD1-CG 4.26Å; L73-L85 PolarHBondContact N-O 3.1Å; N74-L85 HydrophobicContact CB-CB 4.48Å; N74-L85 WeakPolarHBondContact OD1-CB 3.02Å; N74-L85 PolarHBondContact OD1-N 2.88Å; K83-L85 PolarHBondContact O-N 3.1Å; L85-N363 HydrophobicContact CB-CB 4.4Å; L85-N363 HydrophobicContact CD1-CB 3.55Å
86F98.2Very high94.7Very high9 Ų944.5 Ų44.54%0.03922%0.22CC..EExtended strand (participates in β ladder)trans-104.2146.9177.7-74.6-72.7000111.8F70 N71 L72 P84 F362 N363 G364 I365 F418 P419F70-F86 HydrophobicContact CB-CD1 3.71Å; F70-F86 HydrophobicContact CB-CE1 4.15Å; F70-F86 HydrophobicContact CB-CG 4.26Å; F70-F86 HydrophobicContact CD1-CB 4.43Å; N71-F86 CarbonylContact O-C 3.58Å; N71-F86 WeakPolarHBondContact O-CA 3.34Å; L72-F86 HydrophobicContact CB-CD1 4.28Å; L72-F86 HydrophobicContact CB-CE1 3.78Å; L72-F86 HydrophobicContact CB-CZ 4.43Å; L72-F86 HydrophobicContact CD1-CD1 4.44Å; L72-F86 HydrophobicContact CD1-CE1 3.96Å; L72-F86 HydrophobicContact CD1-CE2 4.34Å; L72-F86 HydrophobicContact CD1-CZ 3.88Å; L72-F86 HydrophobicContact CG-CE1 4.47Å; P84-F86 HydrophobicContact CB-CD2 4.38Å; P84-F86 HydrophobicContact CB-CE2 3.81Å; P84-F86 HydrophobicContact CB-CZ 4.43Å; F86-F362 HydrophobicContact CD2-CB 4.33Å; F86-F362 HydrophobicContact CD2-CD1 4.2Å; F86-F362 HydrophobicContact CD2-CG 4.42Å; F86-F362 AromaticContact CE2-CD1 3.82Å; F86-F362 HydrophobicContact CE2-CD1 3.82Å; F86-F362 HydrophobicContact CE2-CE1 4.25Å; F86-F362 HydrophobicContact CE2-CG 4.43Å; F86-N363 PolarHBondContact N-O 3.27Å; F86-G364 VanDerWaalsContact O-CA 3.32Å; F86-G364 WeakPolarHBondContact O-CA 3.28Å; F86-I365 HydrophobicContact CB-CG1 4.39Å; F86-I365 HydrophobicContact CD2-CD1 4.38Å; F86-F418 HydrophobicContact CE2-CD1 4.2Å; F86-F418 HydrophobicContact CE2-CE1 4.38Å; F86-F418 AromaticContact CZ-CD1 3.8Å; F86-F418 HydrophobicContact CZ-CD1 3.8Å; F86-F418 HydrophobicContact CZ-CE1 4.11Å; F86-P419 HydrophobicContact CD2-CG 3.87Å; F86-P419 HydrophobicContact CE1-CG 4.48Å; F86-P419 HydrophobicContact CE2-CG 3.74Å; F86-P419 HydrophobicContact CG-CG 4.31Å; F86-P419 HydrophobicContact CZ-CG 4.08Å
87E96.9Very high94.5Very high81 Ų8144.1 Ų44.138%0.37921%0.213SC..EExtended strand (participates in β ladder)trans-114.9128.3159.7172.2-174.1-126.900107.2N71 L73 V89 R136N71-E87 HydrophobicContact CB-CB 4.49Å; N71-E87 WeakPolarHBondContact CB-O 3.46Å; N71-E87 PolarHBondContact N-O 2.81Å; N71-E87 PolarHBondContact ND2-OE2 3.28Å; N71-E87 PolarHBondContact O-N 2.79Å; L73-E87 HydrophobicContact CD1-CB 3.94Å; L73-E87 HydrophobicContact CD2-CB 4.25Å; L73-E87 HydrophobicContact CG-CB 4.15Å; E87-V89 HydrophobicContact CG-CG2 4.03Å; E87-R136 IonicContact OE2-NH2 2.63Å; E87-R136 PolarHBondContact OE2-NH2 3.47Å
88E96Very high94.3Very high59 Ų5940.9 Ų40.928%0.27620%0.199SC..EExtended strand (participates in β ladder)trans-78.5122.9171.5-170.2-179.479.400109.7Y68 F70 H350 R422Y68-E88 HydrophobicContact CD1-CG 4.17Å; Y68-E88 WeakPolarHBondContact CD1-OE1 3.17Å; Y68-E88 HydrophobicContact CG-CG 4.36Å; F70-E88 HydrophobicContact CD1-CB 4.47Å; F70-E88 HydrophobicContact CE1-CB 4.35Å; F70-E88 HydrophobicContact CE1-CG 4.31Å; E88-H350 IonicContact OE1-NE2 3.09Å; E88-H350 IonicContact OE2-NE2 3.52Å; E88-H350 PolarHBondContact OE2-NE2 3.02Å; E88-R422 VanDerWaalsContact CD-NH2 3.3Å; E88-R422 IonicContact OE1-CZ 3.56Å; E88-R422 IonicContact OE1-NE 3.24Å; E88-R422 IonicContact OE1-NH2 4Å; E88-R422 PolarHBondContact OE1-NH2 3.46Å; E88-R422 IonicContact OE2-CZ 2.72Å; E88-R422 IonicContact OE2-NE 3.02Å; E88-R422 PolarHBondContact OE2-NE 3.08Å; E88-R422 IonicContact OE2-NH2 3.24Å; E88-R422 PolarHBondContact OE2-NH2 3.48Å
89V95.2Very high94.2Very high14 Ų1443.4 Ų43.49%0.08521%0.214CC..EExtended strand (participates in β ladder)trans-117.2124.8-176.2-173.70000109.9Y68 L69 N71 E87 Y92 R136 I138Y68-V89 WeakPolarHBondContact CA-O 3.3Å; L69-V89 PolarHBondContact N-O 3.43Å; L69-V89 PolarHBondContact O-N 3.37Å; N71-V89 HydrophobicContact CB-CG2 3.65Å; E87-V89 HydrophobicContact CG-CG2 4.03Å; V89-Y92 HydrophobicContact CG1-CE2 4.39Å; V89-Y92 VanDerWaalsContact CG1-OH 3.27Å; V89-Y92 WeakPolarHBondContact CG1-OH 3.19Å; V89-R136 HydrophobicContact CG1-CG 4.26Å; V89-I138 HydrophobicContact CB-CD1 4.17Å; V89-I138 HydrophobicContact CG1-CD1 4.14Å
90G93.9Very high94.3Very high21 Ų2142.3 Ų42.322%0.21621%0.207CC..EExtended strand (participates in β ladder)trans153-165.1-177.500000111.9S130G90-S130 WeakPolarHBondContact O-CB 3.3Å; G90-S130 PolarHBondContact O-OG 3.37Å
91P95.1Very high94.5Very high27 Ų2738 Ų3818%0.17519%0.187CC..EExtended strand (participates in β ladder)cis-75.4143.4-2.829.9-34.3000113.1R66 L67 Y68 V93 S129 S130R66-P91 HydrophobicContact CB-CB 3.84Å; R66-P91 HydrophobicContact CG-CB 4.33Å; L67-P91 CarbonylContact O-C 3.58Å; L67-P91 WeakPolarHBondContact O-CA 3.36Å; Y68-P91 HydrophobicContact CD1-CB 4.42Å; Y68-P91 HydrophobicContact CE1-CB 3.83Å; Y68-P91 HydrophobicContact CE1-CG 4.24Å; Y68-P91 HydrophobicContact CE2-CB 4.02Å; P91-V93 HydrophobicContact CB-CG2 3.87Å; P91-V93 HydrophobicContact CG-CG2 4.02Å; P91-S129 WeakPolarHBondContact O-CA 3.43Å; P91-S130 PolarHBondContact O-N 2.79Å; P91-S130 PolarHBondContact O-OG 3.04Å
92Y94.4Very high94.7Very high0 Ų042.2 Ų42.20%021%0.207CC..EExtended strand (participates in β ladder)trans-93.7113.3159.2-56.8-70.5000108.1L67 L69 V89 S131 V133 I138 P172L67-Y92 WeakPolarHBondContact CB-O 3.3Å; L67-Y92 PolarHBondContact N-O 2.85Å; L67-Y92 PolarHBondContact O-N 2.96Å; L69-Y92 HydrophobicContact CD1-CD2 4.14Å; L69-Y92 HydrophobicContact CD1-CE2 3.86Å; L69-Y92 HydrophobicContact CG-CD2 4.33Å; L69-Y92 HydrophobicContact CG-CE2 4.23Å; V89-Y92 HydrophobicContact CG1-CE2 4.39Å; V89-Y92 VanDerWaalsContact CG1-OH 3.27Å; V89-Y92 WeakPolarHBondContact CG1-OH 3.19Å; Y92-S131 WeakPolarHBondContact CE1-OG 3.41Å; Y92-S131 PolarHBondContact OH-OG 3.36Å; Y92-V133 HydrophobicContact CD1-CB 4.45Å; Y92-V133 HydrophobicContact CD1-CG1 3.48Å; Y92-V133 VanDerWaalsContact CD1-CG1 3.48Å; Y92-V133 HydrophobicContact CE1-CG1 4.23Å; Y92-V133 HydrophobicContact CG-CG1 4.11Å; Y92-I138 HydrophobicContact CE2-CD1 4.2Å; Y92-P172 HydrophobicContact CD1-CB 4.07Å; Y92-P172 HydrophobicContact CD1-CG 4.26Å; Y92-P172 HydrophobicContact CD2-CB 3.96Å; Y92-P172 HydrophobicContact CD2-CG 4.4Å; Y92-P172 HydrophobicContact CE1-CB 3.78Å; Y92-P172 HydrophobicContact CE1-CG 3.48Å; Y92-P172 VanDerWaalsContact CE1-CG 3.48Å; Y92-P172 HydrophobicContact CE2-CB 3.69Å; Y92-P172 HydrophobicContact CE2-CG 3.67Å; Y92-P172 HydrophobicContact CG-CB 4.14Å; Y92-P172 WeakPolarHBondContact OH-CG 3.27Å
93V95.4Very high94.8Very high1 Ų144.4 Ų44.41%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-103.7134.9-166.4-171.50000110.7I64 T65 R66 P91 H125 L128 S129I64-V93 HydrophobicContact CG2-CG1 3.77Å; T65-V93 CarbonylContact O-C 3.54Å; T65-V93 WeakPolarHBondContact O-CA 3.28Å; R66-V93 HydrophobicContact CG-CG1 4.41Å; R66-V93 HydrophobicContact CG-CG2 4.11Å; P91-V93 HydrophobicContact CB-CG2 3.87Å; P91-V93 HydrophobicContact CG-CG2 4.02Å; V93-H125 HydrophobicContact CB-CB 4.07Å; V93-H125 HydrophobicContact CG1-CB 3.84Å; V93-H125 WeakPolarHBondContact O-CB 3.46Å; V93-H125 PolarHBondContact O-N 2.97Å; V93-L128 HydrophobicContact CB-CB 4Å; V93-L128 HydrophobicContact CG1-CB 3.99Å; V93-L128 HydrophobicContact CG1-CD1 4.39Å; V93-L128 HydrophobicContact CG2-CB 3.93Å; V93-L128 VanDerWaalsContact CG2-O 3.25Å; V93-L128 WeakPolarHBondContact CG2-O 3.4Å; V93-S129 PolarHBondContact N-OG 3.2Å
94Y93.9Very high94.9Very high3 Ų344 Ų441%0.01222%0.216CC..EExtended strand (participates in β ladder)trans-132.4146.5178.4-64.7-101000110.6T65 L67 Y123 P124 I176 W177T65-Y94 PolarHBondContact N-O 3.28Å; T65-Y94 PolarHBondContact O-N 3.02Å; L67-Y94 HydrophobicContact CD1-CD2 3.92Å; L67-Y94 HydrophobicContact CD1-CE2 3.86Å; L67-Y94 HydrophobicContact CG-CD2 4.39Å; Y94-Y123 CarbonylContact C-O 3.52Å; Y94-Y123 VanDerWaalsContact CA-O 3.23Å; Y94-Y123 WeakPolarHBondContact CA-O 3.42Å; Y94-P124 HydrophobicContact CD1-CB 4.39Å; Y94-P124 HydrophobicContact CD1-CG 4.18Å; Y94-P124 HydrophobicContact CE1-CB 4.25Å; Y94-P124 HydrophobicContact CE1-CG 3.84Å; Y94-I176 HydrophobicContact CE2-CD1 4.46Å; Y94-W177 AromaticContact CD1-CZ2 3.89Å; Y94-W177 HydrophobicContact CD1-CZ2 3.89Å; Y94-W177 AromaticContact CE1-CE2 3.84Å; Y94-W177 AromaticContact CE1-CZ2 3.65Å; Y94-W177 HydrophobicContact CE1-CZ2 3.65Å; Y94-W177 AromaticContact CE1-NE1 3.46Å; Y94-W177 HydrophobicContact CE2-CZ2 4.47Å; Y94-W177 HydrophobicContact CG-CZ2 4.4Å; Y94-W177 AromaticContact CZ-CZ2 3.98Å; Y94-W177 AromaticContact CZ-NE1 3.43Å; Y94-W177 PolarHBondContact OH-NE1 2.71Å
95W92.9Very high95Very high89 Ų8946.5 Ų46.534%0.33723%0.228SC..EExtended strand (participates in β ladder)trans-79.8115.9157.4-64.5108.1000109I64 Y122 Y123 H125I64-W95 HydrophobicContact CD1-CH2 4.07Å; I64-W95 HydrophobicContact CD1-CZ3 3.99Å; I64-W95 HydrophobicContact CG1-CE3 3.92Å; I64-W95 HydrophobicContact CG1-CH2 3.93Å; I64-W95 HydrophobicContact CG1-CZ3 3.4Å; W95-Y122 CarbonylContact O-C 3.59Å; W95-Y122 WeakPolarHBondContact O-CA 3.36Å; W95-Y123 PolarHBondContact N-O 2.52Å; W95-Y123 PolarHBondContact O-N 3.3Å; W95-H125 AromaticContact CD1-CD2 3.89Å; W95-H125 AromaticContact CE2-CD2 3.21Å; W95-H125 AromaticContact CE2-NE2 3.64Å; W95-H125 AromaticContact CZ2-CD2 3.36Å; W95-H125 WeakPolarHBondContact CZ2-CD2 3.26Å; W95-H125 AromaticContact CZ2-NE2 3.33Å; W95-H125 VanDerWaalsContact CZ2-NE2 3.33Å; W95-H125 WeakPolarHBondContact CZ2-NE2 3.28Å; W95-H125 AromaticContact NE1-CD2 3.08Å; W95-H125 PolarHBondContact NE1-CD2 2.96Å; W95-H125 AromaticContact NE1-CG 3.7Å; W95-H125 AromaticContact NE1-NE2 3.62Å
96K93.2Very high94.9Very high27 Ų2744.9 Ų44.912%0.11722%0.222CC..EExtended strand (participates in β ladder)trans-90109.8163.7177.1-177.4-166.6156.80108.4I63 S120 N121 Y122 E203I63-K96 HydrophobicContact CB-CB 4.08Å; I63-K96 HydrophobicContact CD1-CD 4.11Å; I63-K96 HydrophobicContact CD1-CG 4.42Å; I63-K96 PolarHBondContact N-O 3.48Å; I63-K96 PolarHBondContact O-N 2.72Å; K96-S120 VanDerWaalsContact CE-CB 3.43Å; K96-S120 WeakPolarHBondContact CE-OG 2.99Å; K96-N121 CarbonylContact C-O 3.54Å; K96-N121 WeakPolarHBondContact CA-O 3.3Å; K96-Y122 HydrophobicContact CB-CD1 4.01Å; K96-Y122 HydrophobicContact CB-CE1 3.83Å; K96-Y122 HydrophobicContact CD-CE1 4.01Å; K96-Y122 HydrophobicContact CD-CE2 4.12Å; K96-Y122 WeakPolarHBondContact CD-OH 3.33Å; K96-Y122 WeakPolarHBondContact CE-OH 3.46Å; K96-Y122 HydrophobicContact CG-CD1 4.48Å; K96-Y122 HydrophobicContact CG-CE1 4.06Å; K96-Y122 HydrophobicContact CG-CE2 4.09Å; K96-Y122 PolarHBondContact NZ-OH 2.91Å; K96-E203 IonicContact NZ-OE2 2.93Å; K96-E203 PolarHBondContact NZ-OE2 3.23Å
97R91.6Very high94.9Very high121 Ų12152.4 Ų52.446%0.45726%0.262SS..EExtended strand (participates in β ladder)trans-97.4118.8174.1-173.8179.1-70.8172.3-1.5109.3N121 Y123R97-N121 PolarHBondContact N-O 2.85Å; R97-N121 PolarHBondContact O-N 3.27Å; R97-Y123 HydrophobicContact CB-CD2 4.37Å; R97-Y123 HydrophobicContact CB-CE2 3.92Å
98M90.3Very high94.8Very high49 Ų4953.1 Ų53.124%0.24127%0.266CS..EExtended strand (participates in β ladder)trans-90.9129.9171.2-64.2175.364.200108.5I63 K118 K119I63-M98 HydrophobicContact CD1-CG 4.29Å; I63-M98 HydrophobicContact CD1-SD 3.56Å; I63-M98 VanDerWaalsContact CD1-SD 3.56Å; M98-K118 HydrophobicContact CE-CD 3.6Å; M98-K118 HydrophobicContact CE-CG 4.38Å; M98-K119 WeakPolarHBondContact CA-O 3.2Å
99T92Very high94.7Very high53 Ų5356.2 Ų56.233%0.32529%0.293SS..EExtended strand (participates in β ladder)trans-117.5132.1176.2-53.50000108.1W101 K118 K119T99-W101 HydrophobicContact CG2-CE3 4.15Å; T99-W101 VanDerWaalsContact O-CZ3 3.26Å; T99-W101 WeakPolarHBondContact O-CZ3 3.49Å; T99-K118 VanDerWaalsContact O-CA 3.29Å; T99-K118 WeakPolarHBondContact O-CA 3.39Å; T99-K119 PolarHBondContact N-O 2.85Å; T99-K119 PolarHBondContact O-N 3.23Å
100K93.7Very high94.7Very high28 Ų2858.4 Ų58.412%0.12231%0.308CS..EExtended strand (participates in β ladder)trans-115.3137.6175.1-61.9167.8-162.7154.10109Y56 D59 F103 E117 K118Y56-K100 HydrophobicContact CE1-CD 3.98Å; Y56-K100 PolarHBondContact O-NZ 3.44Å; D59-K100 IonicContact OD2-NZ 3.38Å; D59-K100 PolarHBondContact OD2-NZ 2.99Å; K100-F103 HydrophobicContact CB-CE1 4.16Å; K100-F103 HydrophobicContact CB-CE2 4.24Å; K100-F103 HydrophobicContact CB-CZ 3.48Å; K100-F103 VanDerWaalsContact CB-CZ 3.48Å; K100-E117 CarbonylContact C-O 3.49Å; K100-E117 WeakPolarHBondContact CA-O 3.14Å; K100-K118 HydrophobicContact CG-CB 4.41Å; K100-K118 HydrophobicContact CG-CD 4.49Å; K100-K118 HydrophobicContact CG-CG 4.01Å
101W94.6Very high94.9Very high59 Ų5958 Ų5822%0.22330%0.302CS..EExtended strand (participates in β ladder)trans-151.1-177.9179.169.495.9000111T99 F103 H116 E117 K119 I208T99-W101 HydrophobicContact CG2-CE3 4.15Å; T99-W101 VanDerWaalsContact O-CZ3 3.26Å; T99-W101 WeakPolarHBondContact O-CZ3 3.49Å; W101-F103 VanDerWaalsContact C-N 3.3Å; W101-F103 PolarHBondContact O-N 3.39Å; W101-H116 WeakPolarHBondContact O-CB 3.38Å; W101-E117 HydrophobicContact CD2-CB 4.04Å; W101-E117 VanDerWaalsContact CE2-OE2 3.22Å; W101-E117 HydrophobicContact CH2-CB 4.12Å; W101-E117 HydrophobicContact CZ2-CB 3.62Å; W101-E117 HydrophobicContact CZ2-CG 4.5Å; W101-E117 VanDerWaalsContact CZ2-OE2 3.24Å; W101-E117 WeakPolarHBondContact CZ2-OE2 3.43Å; W101-E117 PolarHBondContact N-O 3.33Å; W101-E117 PolarHBondContact NE1-OE2 3.07Å; W101-E117 PolarHBondContact O-N 3.25Å; W101-K119 HydrophobicContact CH2-CB 3.69Å; W101-K119 HydrophobicContact CH2-CD 3.63Å; W101-K119 HydrophobicContact CH2-CG 3.72Å; W101-K119 HydrophobicContact CZ3-CB 3.8Å; W101-K119 HydrophobicContact CZ3-CD 3.71Å; W101-K119 HydrophobicContact CZ3-CG 3.48Å; W101-K119 VanDerWaalsContact CZ3-CG 3.48Å; W101-I208 HydrophobicContact CH2-CG1 4.12Å; W101-I208 HydrophobicContact CH2-CG2 3.9Å; W101-I208 HydrophobicContact CZ2-CD1 4.13Å; W101-I208 HydrophobicContact CZ2-CG1 4.17Å; W101-I208 HydrophobicContact CZ2-CG2 3.71Å
102N95.8Very high95Very high99 Ų9960 Ų6053%0.52931%0.308SS..EExtended strand (participates in β ladder)trans55.140.5-178-70.6-9.7000113.9S104 E117N102-S104 PolarHBondContact O-N 2.81Å; N102-E117 VanDerWaalsContact ND2-CD 3.35Å; N102-E117 PolarHBondContact ND2-OE1 2.94Å; N102-E117 PolarHBondContact ND2-OE2 3.02Å
103F97.2Very high95.2Very high64 Ų6464 Ų6428%0.28132%0.323SS..EExtended strand (participates in β ladder)trans-62.1123.3176.2-62.4-82.3000111F53 Y56 K100 W101 L114 R115 H116F53-F103 AromaticContact CE2-CD1 3.79Å; F53-F103 HydrophobicContact CE2-CD1 3.79Å; F53-F103 HydrophobicContact CE2-CE1 4.16Å; F53-F103 HydrophobicContact CE2-CG 4.35Å; F53-F103 HydrophobicContact CZ-CB 4.26Å; F53-F103 AromaticContact CZ-CD1 3.98Å; F53-F103 HydrophobicContact CZ-CD1 3.98Å; F53-F103 HydrophobicContact CZ-CG 4.07Å; Y56-F103 HydrophobicContact CE1-CE1 4.48Å; K100-F103 HydrophobicContact CB-CE1 4.16Å; K100-F103 HydrophobicContact CB-CE2 4.24Å; K100-F103 HydrophobicContact CB-CZ 3.48Å; K100-F103 VanDerWaalsContact CB-CZ 3.48Å; W101-F103 VanDerWaalsContact C-N 3.3Å; W101-F103 PolarHBondContact O-N 3.39Å; F103-L114 HydrophobicContact CB-CD1 4.26Å; F103-L114 HydrophobicContact CD1-CD1 3.96Å; F103-L114 HydrophobicContact CD1-CD2 4.43Å; F103-R115 CarbonylContact C-O 3.54Å; F103-R115 VanDerWaalsContact CA-O 3.3Å; F103-R115 WeakPolarHBondContact CA-O 3.45Å; F103-H116 HydrophobicContact CD1-CB 3.6Å; F103-H116 HydrophobicContact CE1-CB 3.77Å; F103-H116 HydrophobicContact CG-CB 4.28Å
104S97.7Very high95.4Very high58 Ų5864 Ų6441%0.40632%0.323SS..EExtended strand (participates in β ladder)trans-136134.5175.252.80000110.3N102 R115N102-S104 PolarHBondContact O-N 2.81Å; S104-R115 PolarHBondContact N-O 3.09Å; S104-R115 PolarHBondContact O-N 2.87Å; S104-R115 WeakPolarHBondContact OG-CB 3.2Å
105F98.3Very high95.6Very high53 Ų5366.8 Ų66.823%0.23233%0.334CS..EExtended strand (participates in β ladder)trans-106.5152.7-178.8-72-85.8000110.7P48 F53 P111 Y113 L114P48-F105 HydrophobicContact CB-CE2 4.32Å; P48-F105 HydrophobicContact CG-CD1 4.12Å; P48-F105 HydrophobicContact CG-CD2 3.63Å; P48-F105 HydrophobicContact CG-CE1 4.11Å; P48-F105 HydrophobicContact CG-CE2 3.62Å; P48-F105 HydrophobicContact CG-CG 3.86Å; P48-F105 HydrophobicContact CG-CZ 3.83Å; F53-F105 HydrophobicContact CD1-CZ 4.19Å; F53-F105 HydrophobicContact CD2-CE1 4.48Å; F53-F105 AromaticContact CD2-CZ 3.73Å; F53-F105 HydrophobicContact CD2-CZ 3.73Å; F53-F105 HydrophobicContact CE1-CE2 4.07Å; F53-F105 AromaticContact CE1-CZ 3.94Å; F53-F105 HydrophobicContact CE1-CZ 3.94Å; F53-F105 HydrophobicContact CE2-CE1 4.43Å; F53-F105 HydrophobicContact CE2-CE2 4.03Å; F53-F105 AromaticContact CE2-CZ 3.46Å; F53-F105 HydrophobicContact CE2-CZ 3.46Å; F53-F105 VanDerWaalsContact CE2-CZ 3.46Å; F53-F105 HydrophobicContact CG-CZ 4.09Å; F53-F105 AromaticContact CZ-CE2 3.7Å; F53-F105 HydrophobicContact CZ-CE2 3.7Å; F53-F105 AromaticContact CZ-CZ 3.57Å; F53-F105 HydrophobicContact CZ-CZ 3.57Å; F105-P111 HydrophobicContact CB-CB 3.81Å; F105-P111 HydrophobicContact CB-CG 4.08Å; F105-P111 HydrophobicContact CD1-CB 4.01Å; F105-P111 HydrophobicContact CD1-CG 3.7Å; F105-P111 HydrophobicContact CE1-CG 4.46Å; F105-P111 HydrophobicContact CG-CB 4.33Å; F105-P111 HydrophobicContact CG-CG 4.15Å; F105-Y113 WeakPolarHBondContact CA-O 3.36Å; F105-L114 HydrophobicContact CD1-CB 4.14Å; F105-L114 HydrophobicContact CD1-CD1 3.95Å; F105-L114 HydrophobicContact CD2-CD1 4.19Å; F105-L114 HydrophobicContact CE1-CB 3.95Å; F105-L114 HydrophobicContact CE1-CD1 3.58Å; F105-L114 HydrophobicContact CE1-CD2 4.47Å; F105-L114 HydrophobicContact CE1-CG 4.18Å; F105-L114 HydrophobicContact CE2-CD1 3.84Å; F105-L114 HydrophobicContact CG-CD1 4.27Å; F105-L114 HydrophobicContact CZ-CD1 3.56Å; F105-L114 HydrophobicContact CZ-CG 4.47Å
106S97.8Very high95.8Very high28 Ų2862.6 Ų62.620%0.19632%0.318CS..  trans-65.6159.817176.50000111.6E108 P111 K112 Y113S106-E108 VanDerWaalsContact C-N 3.34Å; S106-E108 WeakPolarHBondContact CB-OE2 3.41Å; S106-E108 PolarHBondContact O-N 2.95Å; S106-E108 PolarHBondContact OG-OE2 3.14Å; S106-P111 WeakPolarHBondContact O-CB 3.38Å; S106-K112 PolarHBondContact OG-N 3.47Å; S106-Y113 PolarHBondContact N-O 2.93Å; S106-Y113 PolarHBondContact OG-N 3.43Å
107N97.3Very high95.9Very high167 Ų16763.6 Ų63.689%0.89332%0.323SS*.SBendtrans-77.1-16.5-167.5-67.4-24.6000114.4
108E95.5Very high96Very high96 Ų9658.5 Ų58.545%0.44930%0.304SS..SBendtrans-68.5158.1179.7-52.788.7162.400111.9S106 P110 P111S106-E108 VanDerWaalsContact C-N 3.34Å; S106-E108 WeakPolarHBondContact CB-OE2 3.41Å; S106-E108 PolarHBondContact O-N 2.95Å; S106-E108 PolarHBondContact OG-OE2 3.14Å; E108-P110 CarbonylContact C-O 3.2Å; E108-P110 CarbonylContact O-C 3.6Å; E108-P111 WeakPolarHBondContact O-CA 3.41Å; E108-P111 VanDerWaalsContact O-N 3.07Å
109S93.9Very high96Very high123 Ų12359.3 Ų59.386%0.8631%0.307SS*.SBendtrans-122.2113.5175.9-166.70000110.5
110P94.6Very high96Very high61 Ų6157.4 Ų57.440%0.39630%0.295SS..SBendcis-71.2154.7-4.130.7-34000112.7T47 E108 V217T47-P110 HydrophobicContact CG2-CB 4.19Å; E108-P110 CarbonylContact C-O 3.2Å; E108-P110 CarbonylContact O-C 3.6Å; P110-V217 HydrophobicContact CB-CG2 3.88Å; P110-V217 HydrophobicContact CG-CB 4.41Å; P110-V217 HydrophobicContact CG-CG1 3.74Å; P110-V217 HydrophobicContact CG-CG2 3.69Å
111P97.5Very high95.8Very high13 Ų1357.3 Ų57.38%0.08430%0.296CS..  trans-70.1138-177.427.2-33.8000111.2T47 P48 F105 S106 E108 T215 V217T47-P111 HydrophobicContact CG2-CG 4.08Å; P48-P111 HydrophobicContact CG-CG 4.26Å; F105-P111 HydrophobicContact CB-CB 3.81Å; F105-P111 HydrophobicContact CB-CG 4.08Å; F105-P111 HydrophobicContact CD1-CB 4.01Å; F105-P111 HydrophobicContact CD1-CG 3.7Å; F105-P111 HydrophobicContact CE1-CG 4.46Å; F105-P111 HydrophobicContact CG-CB 4.33Å; F105-P111 HydrophobicContact CG-CG 4.15Å; S106-P111 WeakPolarHBondContact O-CB 3.38Å; E108-P111 WeakPolarHBondContact O-CA 3.41Å; E108-P111 VanDerWaalsContact O-N 3.07Å; P111-T215 WeakPolarHBondContact O-CB 3.26Å; P111-T215 WeakPolarHBondContact O-CG2 3.3Å; P111-T215 PolarHBondContact O-OG1 3.41Å; P111-V217 WeakPolarHBondContact O-CG2 3.16Å
112K98Very high95.7Very high69 Ų6955.1 Ų55.130%0.329%0.288SS..SBendtrans-89-26.1-176.2-67.1-175.3171.3-142.30113.5S106 T215 V217 D218S106-K112 PolarHBondContact OG-N 3.47Å; K112-T215 VanDerWaalsContact C-OG1 3.31Å; K112-T215 WeakPolarHBondContact CA-OG1 3.34Å; K112-T215 PolarHBondContact O-N 2.86Å; K112-T215 PolarHBondContact O-OG1 2.94Å; K112-T215 VanDerWaalsContact O-OG1 3.1Å; K112-V217 HydrophobicContact CG-CG1 4.45Å; K112-D218 WeakPolarHBondContact CD-OD2 3.3Å; K112-D218 VanDerWaalsContact CE-OD1 3.29Å; K112-D218 WeakPolarHBondContact CE-OD1 3.27Å; K112-D218 WeakPolarHBondContact CE-OD2 3.45Å; K112-D218 IonicContact NZ-OD1 2.87Å; K112-D218 PolarHBondContact NZ-OD1 2.92Å; K112-D218 IonicContact NZ-OD2 3.01Å; K112-D218 PolarHBondContact NZ-OD2 2.65Å
113Y98.4Very high95.5Very high83 Ų8355.3 Ų55.333%0.32528%0.282SS..EExtended strand (participates in β ladder)trans-127.7145.6-178.2-52.9-76000111.8F105 S106 L213 K214 V227F105-Y113 WeakPolarHBondContact CA-O 3.36Å; S106-Y113 PolarHBondContact N-O 2.93Å; S106-Y113 PolarHBondContact OG-N 3.43Å; Y113-L213 CarbonylContact C-O 3.5Å; Y113-L213 VanDerWaalsContact CA-O 3.24Å; Y113-L213 WeakPolarHBondContact CA-O 3.33Å; Y113-K214 HydrophobicContact CD1-CG 4.42Å; Y113-K214 HydrophobicContact CE1-CG 4.17Å; Y113-V227 HydrophobicContact CD1-CG2 4Å; Y113-V227 HydrophobicContact CE1-CG2 3.87Å
114L98.2Very high95.1Very high0 Ų055.4 Ų55.40%029%0.289CS..EExtended strand (participates in β ladder)trans-122125.6170.7169.166000108.5L46 F53 Y56 F103 F105 L213 T215L46-L114 HydrophobicContact CD2-CD2 3.63Å; L46-L114 HydrophobicContact CG-CD2 3.88Å; F53-L114 HydrophobicContact CD2-CD2 3.98Å; F53-L114 HydrophobicContact CE2-CD1 4Å; F53-L114 HydrophobicContact CE2-CD2 3.76Å; Y56-L114 HydrophobicContact CD1-CD2 4.5Å; Y56-L114 HydrophobicContact CE1-CD2 4.31Å; F103-L114 HydrophobicContact CB-CD1 4.26Å; F103-L114 HydrophobicContact CD1-CD1 3.96Å; F103-L114 HydrophobicContact CD1-CD2 4.43Å; F105-L114 HydrophobicContact CD1-CB 4.14Å; F105-L114 HydrophobicContact CD1-CD1 3.95Å; F105-L114 HydrophobicContact CD2-CD1 4.19Å; F105-L114 HydrophobicContact CE1-CB 3.95Å; F105-L114 HydrophobicContact CE1-CD1 3.58Å; F105-L114 HydrophobicContact CE1-CD2 4.47Å; F105-L114 HydrophobicContact CE1-CG 4.18Å; F105-L114 HydrophobicContact CE2-CD1 3.84Å; F105-L114 HydrophobicContact CG-CD1 4.27Å; F105-L114 HydrophobicContact CZ-CD1 3.56Å; F105-L114 HydrophobicContact CZ-CG 4.47Å; L114-L213 PolarHBondContact N-O 2.84Å; L114-L213 PolarHBondContact O-N 3.21Å; L114-T215 HydrophobicContact CB-CG2 4.19Å
115R98.3Very high94.7Very high62 Ų6254.1 Ų54.123%0.23428%0.277CS..EExtended strand (participates in β ladder)trans-108.9141.5170.8177.2178-66-98.3-4.5110.5F103 S104 E210 F211 L212 E228F103-R115 CarbonylContact C-O 3.54Å; F103-R115 VanDerWaalsContact CA-O 3.3Å; F103-R115 WeakPolarHBondContact CA-O 3.45Å; S104-R115 PolarHBondContact N-O 3.09Å; S104-R115 PolarHBondContact O-N 2.87Å; S104-R115 WeakPolarHBondContact OG-CB 3.2Å; R115-E210 WeakPolarHBondContact CD-OE1 3.22Å; R115-E210 HydrophobicContact CG-CG 4.43Å; R115-E210 IonicContact CZ-OE1 3.35Å; R115-E210 IonicContact NE-OE1 3.66Å; R115-E210 IonicContact NH1-OE1 3.45Å; R115-E210 PolarHBondContact NH1-OE1 2.8Å; R115-E210 IonicContact NH1-OE2 2.83Å; R115-E210 PolarHBondContact NH1-OE2 3.19Å; R115-F211 CarbonylContact C-O 3.51Å; R115-F211 WeakPolarHBondContact CA-O 3.45Å; R115-L212 HydrophobicContact CB-CD1 3.91Å; R115-E228 IonicContact CZ-OE2 3.94Å; R115-E228 IonicContact NH1-OE2 2.85Å; R115-E228 IonicContact NH2-OE2 2.71Å; R115-E228 PolarHBondContact NH2-OE2 2.81Å
116H97.2Very high93.7Very high1 Ų159.6 Ų59.61%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-157163.9172.565.788.3000111.1Y56 W101 F103 F211Y56-H116 AromaticContact CE1-NE2 3.95Å; Y56-H116 AromaticContact CZ-NE2 3.9Å; Y56-H116 PolarHBondContact OH-CE1 2.75Å; Y56-H116 VanDerWaalsContact OH-CE1 3.26Å; Y56-H116 PolarHBondContact OH-NE2 3.23Å; W101-H116 WeakPolarHBondContact O-CB 3.38Å; F103-H116 HydrophobicContact CD1-CB 3.6Å; F103-H116 HydrophobicContact CE1-CB 3.77Å; F103-H116 HydrophobicContact CG-CB 4.28Å; H116-F211 AromaticContact CE1-CD2 3.83Å; H116-F211 PolarHBondContact N-O 3.33Å; H116-F211 PolarHBondContact O-N 3.26Å
117E96Very high93Very high49 Ų4965.3 Ų65.323%0.22933%0.331CS..EExtended strand (participates in β ladder)trans-100.4155.8168.8-72.3168.8-139.900110.1K100 W101 N102 I208 E209 E210K100-E117 CarbonylContact C-O 3.49Å; K100-E117 WeakPolarHBondContact CA-O 3.14Å; W101-E117 HydrophobicContact CD2-CB 4.04Å; W101-E117 VanDerWaalsContact CE2-OE2 3.22Å; W101-E117 HydrophobicContact CH2-CB 4.12Å; W101-E117 HydrophobicContact CZ2-CB 3.62Å; W101-E117 HydrophobicContact CZ2-CG 4.5Å; W101-E117 VanDerWaalsContact CZ2-OE2 3.24Å; W101-E117 WeakPolarHBondContact CZ2-OE2 3.43Å; W101-E117 PolarHBondContact N-O 3.33Å; W101-E117 PolarHBondContact NE1-OE2 3.07Å; W101-E117 PolarHBondContact O-N 3.25Å; N102-E117 VanDerWaalsContact ND2-CD 3.35Å; N102-E117 PolarHBondContact ND2-OE1 2.94Å; N102-E117 PolarHBondContact ND2-OE2 3.02Å; E117-I208 HydrophobicContact CB-CG2 4.11Å; E117-I208 HydrophobicContact CG-CG2 4.16Å; E117-E209 CarbonylContact C-O 3.54Å; E117-E209 VanDerWaalsContact CA-O 3.29Å; E117-E209 WeakPolarHBondContact CA-O 3.43Å; E117-E210 HydrophobicContact CG-CG 4.44Å
118K92.9Very high92.4Very high13 Ų1361.3 Ų61.36%0.05731%0.309CS..EExtended strand (participates in β ladder)trans-144.2143.1-178.7-168.8-176.678.8-165.80110.3M98 T99 K100 E209 F211 E250M98-K118 HydrophobicContact CE-CD 3.6Å; M98-K118 HydrophobicContact CE-CG 4.38Å; T99-K118 VanDerWaalsContact O-CA 3.29Å; T99-K118 WeakPolarHBondContact O-CA 3.39Å; K100-K118 HydrophobicContact CG-CB 4.41Å; K100-K118 HydrophobicContact CG-CD 4.49Å; K100-K118 HydrophobicContact CG-CG 4.01Å; K118-E209 WeakPolarHBondContact CE-OE2 3.33Å; K118-E209 PolarHBondContact N-O 3.04Å; K118-E209 IonicContact NZ-OE2 2.65Å; K118-E209 PolarHBondContact NZ-OE2 2.83Å; K118-E209 PolarHBondContact O-N 2.85Å; K118-F211 HydrophobicContact CB-CD2 4.35Å; K118-F211 HydrophobicContact CB-CE2 4.12Å; K118-F211 HydrophobicContact CD-CE2 4.15Å; K118-F211 VanDerWaalsContact NZ-CE2 3.33Å; K118-F211 VanDerWaalsContact NZ-CZ 3.28Å; K118-E250 IonicContact NZ-OE1 3.47Å; K118-E250 PolarHBondContact NZ-OE1 3.21Å
119K91.2Very high91.9Very high67 Ų6758.1 Ų58.129%0.29130%0.298SS..EExtended strand (participates in β ladder)trans-143.4156.1169.373.3-167.9170.3175.90110.9M98 T99 W101M98-K119 WeakPolarHBondContact CA-O 3.2Å; T99-K119 PolarHBondContact N-O 2.85Å; T99-K119 PolarHBondContact O-N 3.23Å; W101-K119 HydrophobicContact CH2-CB 3.69Å; W101-K119 HydrophobicContact CH2-CD 3.63Å; W101-K119 HydrophobicContact CH2-CG 3.72Å; W101-K119 HydrophobicContact CZ3-CB 3.8Å; W101-K119 HydrophobicContact CZ3-CD 3.71Å; W101-K119 HydrophobicContact CZ3-CG 3.48Å; W101-K119 VanDerWaalsContact CZ3-CG 3.48Å
120S91Very high91.3Very high13 Ų1355.8 Ų55.89%0.09128%0.281CS..EExtended strand (participates in β ladder)trans-109.9141.9174-62.60000110.6K96 E203 G205K96-S120 VanDerWaalsContact CE-CB 3.43Å; K96-S120 WeakPolarHBondContact CE-OG 2.99Å; S120-E203 VanDerWaalsContact O-O 3.07Å; S120-G205 WeakPolarHBondContact O-CA 3.49Å; S120-G205 PolarHBondContact O-N 3.19Å
121N91Very high90.3Very high25 Ų2554.7 Ų54.713%0.13428%0.275CS..EExtended strand (participates in β ladder)trans-131.5142.3171.8-59.4-87.4000109K96 R97 Y123 G205K96-N121 CarbonylContact C-O 3.54Å; K96-N121 WeakPolarHBondContact CA-O 3.3Å; R97-N121 PolarHBondContact N-O 2.85Å; R97-N121 PolarHBondContact O-N 3.27Å; N121-Y123 HydrophobicContact CB-CE2 3.71Å; N121-G205 WeakPolarHBondContact OD1-CA 3.09Å
122Y91.6Very high89.6Confident13 Ų1357.8 Ų57.85%0.05129%0.291CS..EExtended strand (participates in β ladder)trans-111.3131.3-179.8-71.4-104.1000110.4T65 W95 K96 W177 E203 N204T65-Y122 HydrophobicContact CG2-CE1 4.16Å; W95-Y122 CarbonylContact O-C 3.59Å; W95-Y122 WeakPolarHBondContact O-CA 3.36Å; K96-Y122 HydrophobicContact CB-CD1 4.01Å; K96-Y122 HydrophobicContact CB-CE1 3.83Å; K96-Y122 HydrophobicContact CD-CE1 4.01Å; K96-Y122 HydrophobicContact CD-CE2 4.12Å; K96-Y122 WeakPolarHBondContact CD-OH 3.33Å; K96-Y122 WeakPolarHBondContact CE-OH 3.46Å; K96-Y122 HydrophobicContact CG-CD1 4.48Å; K96-Y122 HydrophobicContact CG-CE1 4.06Å; K96-Y122 HydrophobicContact CG-CE2 4.09Å; K96-Y122 PolarHBondContact NZ-OH 2.91Å; Y122-W177 VanDerWaalsContact CB-CH2 3.41Å; Y122-W177 AromaticContact CD1-CH2 3.72Å; Y122-W177 HydrophobicContact CD1-CH2 3.72Å; Y122-W177 HydrophobicContact CD1-CZ2 4.25Å; Y122-W177 AromaticContact CD2-CH2 3.74Å; Y122-W177 HydrophobicContact CD2-CH2 3.74Å; Y122-W177 HydrophobicContact CD2-CZ3 4.2Å; Y122-W177 HydrophobicContact CE1-CH2 4.34Å; Y122-W177 HydrophobicContact CE2-CH2 4.39Å; Y122-W177 AromaticContact CG-CH2 3.35Å; Y122-W177 HydrophobicContact CG-CH2 3.35Å; Y122-W177 HydrophobicContact CG-CZ2 4.05Å; Y122-W177 HydrophobicContact CG-CZ3 4.25Å; Y122-E203 HydrophobicContact CE2-CB 3.95Å; Y122-N204 PolarHBondContact N-OD1 3.47Å
123Y91.1Very high88.9Confident104 Ų10455 Ų5541%0.40828%0.28SS..EExtended strand (participates in β ladder)trans-125.4125.2178.3-55.7-81.7000109.5Y94 W95 R97 N121 H125Y94-Y123 CarbonylContact C-O 3.52Å; Y94-Y123 VanDerWaalsContact CA-O 3.23Å; Y94-Y123 WeakPolarHBondContact CA-O 3.42Å; W95-Y123 PolarHBondContact N-O 2.52Å; W95-Y123 PolarHBondContact O-N 3.3Å; R97-Y123 HydrophobicContact CB-CD2 4.37Å; R97-Y123 HydrophobicContact CB-CE2 3.92Å; N121-Y123 HydrophobicContact CB-CE2 3.71Å; Y123-H125 PolarHBondContact O-N 3.22Å
124P90Very high88.4Confident66 Ų6657.7 Ų57.743%0.42929%0.29SS..EExtended strand (participates in β ladder)trans-53.3138.2177.6-25.733000112.5Y94Y94-P124 HydrophobicContact CD1-CB 4.39Å; Y94-P124 HydrophobicContact CD1-CG 4.18Å; Y94-P124 HydrophobicContact CE1-CB 4.25Å; Y94-P124 HydrophobicContact CE1-CG 3.84Å
125H89.1Confident87.9Confident31 Ų3161.3 Ų61.314%0.14432%0.316CS..  trans-105.992.7171.6-166.6-36.4000109.1V93 W95 Y123 N127 L128 S129V93-H125 HydrophobicContact CB-CB 4.07Å; V93-H125 HydrophobicContact CG1-CB 3.84Å; V93-H125 WeakPolarHBondContact O-CB 3.46Å; V93-H125 PolarHBondContact O-N 2.97Å; W95-H125 AromaticContact CD1-CD2 3.89Å; W95-H125 AromaticContact CE2-CD2 3.21Å; W95-H125 AromaticContact CE2-NE2 3.64Å; W95-H125 AromaticContact CZ2-CD2 3.36Å; W95-H125 WeakPolarHBondContact CZ2-CD2 3.26Å; W95-H125 AromaticContact CZ2-NE2 3.33Å; W95-H125 VanDerWaalsContact CZ2-NE2 3.33Å; W95-H125 WeakPolarHBondContact CZ2-NE2 3.28Å; W95-H125 AromaticContact NE1-CD2 3.08Å; W95-H125 PolarHBondContact NE1-CD2 2.96Å; W95-H125 AromaticContact NE1-CG 3.7Å; W95-H125 AromaticContact NE1-NE2 3.62Å; Y123-H125 PolarHBondContact O-N 3.22Å; H125-N127 PolarHBondContact O-N 3.37Å; H125-L128 PolarHBondContact O-N 2.74Å; H125-S129 PolarHBondContact O-N 2.83Å; H125-S129 PolarHBondContact O-OG 3.15Å; H125-S129 VanDerWaalsContact O-OG 3.06Å
126E76.7Confident87.6Confident167 Ų16763 Ų6378%0.7832%0.322SS*.G310 helixtrans-60.5-40.8-170-62.4178.9175.600113L128E126-L128 PolarHBondContact O-N 2.82Å
127N83.1Confident87.4Confident148 Ų14867.4 Ų67.479%0.79134%0.343SS*.G310 helixtrans-76.2-17.4-174.3-64.4-14.9000115.7H125H125-N127 PolarHBondContact O-N 3.37Å
128L85.3Confident87.4Confident84 Ų8465.1 Ų65.144%0.4433%0.332SS..G310 helixtrans-107.1-7.8-175.9-69.3-179.1000112.9V93 H125 E126V93-L128 HydrophobicContact CB-CB 4Å; V93-L128 HydrophobicContact CG1-CB 3.99Å; V93-L128 HydrophobicContact CG1-CD1 4.39Å; V93-L128 HydrophobicContact CG2-CB 3.93Å; V93-L128 VanDerWaalsContact CG2-O 3.25Å; V93-L128 WeakPolarHBondContact CG2-O 3.4Å; H125-L128 PolarHBondContact O-N 2.74Å; E126-L128 PolarHBondContact O-N 2.82Å
129S84.7Confident87.6Confident29 Ų2965.3 Ų65.320%0.20333%0.334CS..  trans-77.3136.1177.9-61.50000110.3P91 V93 H125 S131P91-S129 WeakPolarHBondContact O-CA 3.43Å; V93-S129 PolarHBondContact N-OG 3.2Å; H125-S129 PolarHBondContact O-N 2.83Å; H125-S129 PolarHBondContact O-OG 3.15Å; H125-S129 VanDerWaalsContact O-OG 3.06Å; S129-S131 VanDerWaalsContact C-N 3.3Å; S129-S131 PolarHBondContact O-N 2.92Å
130S81.9Confident87.8Confident73 Ų7362.4 Ų62.451%0.5132%0.322SS..SBendtrans-73.2-23.6-178.6630000113.6G90 P91G90-S130 WeakPolarHBondContact O-CB 3.3Å; G90-S130 PolarHBondContact O-OG 3.37Å; P91-S130 PolarHBondContact O-N 2.79Å; P91-S130 PolarHBondContact O-OG 3.04Å
131S73.8Confident87.9Confident38 Ų3862.4 Ų62.427%0.26632%0.321SS..SBendtrans-150.8160.9-179.9570000111Y92 S129 V133Y92-S131 WeakPolarHBondContact CE1-OG 3.41Å; Y92-S131 PolarHBondContact OH-OG 3.36Å; S129-S131 VanDerWaalsContact C-N 3.3Å; S129-S131 PolarHBondContact O-N 2.92Å; S131-V133 PolarHBondContact O-N 2.93Å
132D81.3Confident87.9Confident78 Ų7861.4 Ų61.442%0.41732%0.316SS..  trans-67.9128.4175165.441.9000110.9Y134 S135D132-Y134 PolarHBondContact O-N 2.94Å; D132-Y134 VanDerWaalsContact O-N 3.15Å; D132-Y134 VanDerWaalsContact OD1-CD2 3.27Å; D132-Y134 WeakPolarHBondContact OD1-CD2 3.49Å; D132-Y134 PolarHBondContact OD1-N 2.79Å; D132-Y134 VanDerWaalsContact OD1-N 3.17Å; D132-S135 WeakPolarHBondContact CB-OG 3.37Å; D132-S135 PolarHBondContact O-N 2.82Å; D132-S135 VanDerWaalsContact OD2-CB 3.23Å; D132-S135 WeakPolarHBondContact OD2-CB 3.48Å; D132-S135 PolarHBondContact OD2-N 2.82Å; D132-S135 PolarHBondContact OD2-OG 3.39Å
133V84.6Confident87.8Confident12 Ų1261.2 Ų61.27%0.07332%0.315CS..THydrogen-bonded Turntrans-67.3-10.7-177.7-65.50000113.2Y92 S131 P172 N173Y92-V133 HydrophobicContact CD1-CB 4.45Å; Y92-V133 HydrophobicContact CD1-CG1 3.48Å; Y92-V133 VanDerWaalsContact CD1-CG1 3.48Å; Y92-V133 HydrophobicContact CE1-CG1 4.23Å; Y92-V133 HydrophobicContact CG-CG1 4.11Å; S131-V133 PolarHBondContact O-N 2.93Å; V133-P172 HydrophobicContact CB-CB 4.34Å; V133-P172 WeakPolarHBondContact O-CD 3.36Å; V133-N173 HydrophobicContact CB-CB 4.24Å; V133-N173 HydrophobicContact CG2-CB 4.36Å; V133-N173 WeakPolarHBondContact O-CB 3.37Å; V133-N173 PolarHBondContact O-N 3.46Å
134Y87.6Confident87.6Confident139 Ų13956.7 Ų56.755%0.54530%0.298SS..THydrogen-bonded Turntrans-108.7-5.6-175.2-55.8-68.2000115D132 T171 N173D132-Y134 PolarHBondContact O-N 2.94Å; D132-Y134 VanDerWaalsContact O-N 3.15Å; D132-Y134 VanDerWaalsContact OD1-CD2 3.27Å; D132-Y134 WeakPolarHBondContact OD1-CD2 3.49Å; D132-Y134 PolarHBondContact OD1-N 2.79Å; D132-Y134 VanDerWaalsContact OD1-N 3.17Å; Y134-T171 VanDerWaalsContact O-CG2 3.26Å; Y134-T171 WeakPolarHBondContact O-CG2 3.37Å; Y134-N173 HydrophobicContact CD1-CB 3.87Å; Y134-N173 HydrophobicContact CE1-CB 3.77Å; Y134-N173 VanDerWaalsContact CE1-CG 3.48Å
135S87.6Confident87.4Confident76 Ų7653.6 Ų53.653%0.53128%0.278SS..THydrogen-bonded Turntrans-119.8-37.5-171.750.80000115.3D132 Q137D132-S135 WeakPolarHBondContact CB-OG 3.37Å; D132-S135 PolarHBondContact O-N 2.82Å; D132-S135 VanDerWaalsContact OD2-CB 3.23Å; D132-S135 WeakPolarHBondContact OD2-CB 3.48Å; D132-S135 PolarHBondContact OD2-N 2.82Å; D132-S135 PolarHBondContact OD2-OG 3.39Å; S135-Q137 PolarHBondContact O-N 2.93Å
136R91.1Very high87.2Confident98 Ų9852.1 Ų52.137%0.3727%0.271SS..  trans-67.7122.4178.3-177.469.8171113.4-8.3109.4E87 V89 I138 P172E87-R136 IonicContact OE2-NH2 2.63Å; E87-R136 PolarHBondContact OE2-NH2 3.47Å; V89-R136 HydrophobicContact CG1-CG 4.26Å; R136-I138 HydrophobicContact CG-CG1 4.12Å; R136-P172 WeakPolarHBondContact O-CD 3.48Å
137Q94.6Very high87.4Confident93 Ų9344.6 Ų44.644%0.43524%0.239SC..  trans-82.8129.1171.1-67.8-63-23.800109.8S135 T169S135-Q137 PolarHBondContact O-N 2.93Å; Q137-T169 HydrophobicContact CB-CG2 3.79Å; Q137-T169 HydrophobicContact CG-CG2 4.46Å
138I95.5Very high87.2Confident0 Ų037.8 Ų37.80%020%0.202CC..EExtended strand (participates in β ladder)trans-124.9128-179.4-64.5-179.9000108.3L69 N71 V89 Y92 R136 T169 A170 P172 I175L69-I138 HydrophobicContact CB-CD1 3.88Å; L69-I138 HydrophobicContact CB-CG2 4.45Å; L69-I138 HydrophobicContact CD1-CD1 3.58Å; L69-I138 HydrophobicContact CG-CD1 4.37Å; N71-I138 HydrophobicContact CB-CG2 3.95Å; V89-I138 HydrophobicContact CB-CD1 4.17Å; V89-I138 HydrophobicContact CG1-CD1 4.14Å; Y92-I138 HydrophobicContact CE2-CD1 4.2Å; R136-I138 HydrophobicContact CG-CG1 4.12Å; I138-T169 WeakPolarHBondContact O-CA 3.12Å; I138-A170 PolarHBondContact N-O 3.02Å; I138-A170 PolarHBondContact O-N 2.82Å; I138-P172 HydrophobicContact CD1-CG 3.8Å; I138-I175 HydrophobicContact CB-CD1 3.78Å; I138-I175 HydrophobicContact CG2-CD1 3.72Å
139T97Very high86.5Confident18 Ų1834.2 Ų34.211%0.1118%0.183CC..EExtended strand (participates in β ladder)trans-90.6117.1173-620000109N71 L72 F167 I168 T169N71-T139 PolarHBondContact OD1-N 2.79Å; L72-T139 HydrophobicContact CB-CG2 4.17Å; L72-T139 PolarHBondContact N-O 2.86Å; T139-F167 HydrophobicContact CG2-CB 3.91Å; T139-F167 HydrophobicContact CG2-CG 4.47Å; T139-I168 WeakPolarHBondContact CA-O 3.38Å; T139-T169 PolarHBondContact OG1-OG1 3.48Å
140S95.4Very high85.9Confident6 Ų633.1 Ų33.14%0.04218%0.175CC..EExtended strand (participates in β ladder)trans-130.1170.7178.9-163.30000110.8D142 F167 I168S140-D142 PolarHBondContact O-N 2.92Å; S140-F167 CarbonylContact O-C 3.56Å; S140-F167 WeakPolarHBondContact O-CA 3.26Å; S140-I168 PolarHBondContact N-O 2.82Å; S140-I168 PolarHBondContact O-N 2.73Å
141L92.2Very high85.3Confident13 Ų1331.9 Ų31.97%0.06816%0.161CC..EExtended strand (participates in β ladder)trans-62.7127.8171.1-172.976.9000109.6L143 P166 F167 F397 I399L141-L143 PolarHBondContact O-N 3.27Å; L141-L143 VanDerWaalsContact O-N 3.15Å; L141-P166 WeakPolarHBondContact CD1-O 3.49Å; L141-F167 HydrophobicContact CD1-CD1 4.38Å; L141-F167 HydrophobicContact CD1-CE1 4.14Å; L141-F397 HydrophobicContact CD2-CB 3.58Å; L141-F397 HydrophobicContact CD2-CD1 3.57Å; L141-F397 HydrophobicContact CD2-CD2 3.95Å; L141-F397 HydrophobicContact CD2-CE1 4.22Å; L141-F397 HydrophobicContact CD2-CG 3.42Å; L141-F397 VanDerWaalsContact CD2-CG 3.42Å; L141-I399 HydrophobicContact CD1-CD1 3.48Å; L141-I399 VanDerWaalsContact CD1-CD1 3.48Å; L141-I399 HydrophobicContact CD2-CD1 3.71Å; L141-I399 HydrophobicContact CD2-CG1 4.45Å; L141-I399 HydrophobicContact CG-CD1 4.26Å
142D91.7Very high85Confident4 Ų435.3 Ų35.32%0.02118%0.177CC..  trans-69.5108.2167.1-179.63.6000108.3S140 F144 A145 G146 P166 I168 Y179 H181S140-D142 PolarHBondContact O-N 2.92Å; D142-F144 PolarHBondContact O-N 3.47Å; D142-F144 WeakPolarHBondContact OD1-CB 3.31Å; D142-F144 PolarHBondContact OD1-N 2.89Å; D142-A145 HydrophobicContact CB-CB 3.78Å; D142-A145 CarbonylContact O-C 3.57Å; D142-A145 WeakPolarHBondContact O-CA 3.36Å; D142-A145 VanDerWaalsContact O-CB 3.31Å; D142-A145 WeakPolarHBondContact O-CB 3.45Å; D142-A145 PolarHBondContact O-N 2.91Å; D142-G146 PolarHBondContact O-N 3.26Å; D142-P166 WeakPolarHBondContact CB-O 3.34Å; D142-P166 PolarHBondContact N-O 2.93Å; D142-I168 HydrophobicContact CB-CB 4.2Å; D142-I168 HydrophobicContact CB-CG2 4.16Å; D142-Y179 PolarHBondContact OD1-OH 2.89Å; D142-H181 IonicContact OD1-NE2 3.26Å; D142-H181 IonicContact OD2-CE1 2.82Å; D142-H181 IonicContact OD2-NE2 3.17Å; D142-H181 PolarHBondContact OD2-NE2 2.81Å
143L89.3Confident84.5Confident8 Ų836.3 Ų36.34%0.04218%0.175CC..Hα-helixtrans-63.7-26.4178.6-61.5177.4000111.5L141 G147 Y179 I197 V199 F397 I420L141-L143 PolarHBondContact O-N 3.27Å; L141-L143 VanDerWaalsContact O-N 3.15Å; L143-G147 PolarHBondContact O-N 3.06Å; L143-Y179 WeakPolarHBondContact CB-OH 3.43Å; L143-Y179 PolarHBondContact N-OH 2.99Å; L143-I197 HydrophobicContact CB-CG2 3.6Å; L143-I197 HydrophobicContact CD1-CG2 4.13Å; L143-I197 HydrophobicContact CG-CG2 4.45Å; L143-V199 HydrophobicContact CD1-CG2 4.12Å; L143-F397 HydrophobicContact CD2-CD2 3.75Å; L143-F397 HydrophobicContact CD2-CE2 4.18Å; L143-I420 HydrophobicContact CD2-CD1 3.69Å
144F87.7Confident84Confident10 Ų1040.3 Ų40.34%0.04419%0.191CC..Hα-helixtrans-63-52.2169.4-176.7-114.8000110.1D142 G146 G147 L148 Y160 T164 H181 N183 I184 C187 C193 I197D142-F144 PolarHBondContact O-N 3.47Å; D142-F144 WeakPolarHBondContact OD1-CB 3.31Å; D142-F144 PolarHBondContact OD1-N 2.89Å; F144-G146 VanDerWaalsContact C-N 3.32Å; F144-G146 PolarHBondContact O-N 3.25Å; F144-G147 PolarHBondContact O-N 3.41Å; F144-L148 HydrophobicContact CD1-CD1 4.05Å; F144-L148 HydrophobicContact CE1-CD1 3.63Å; F144-L148 HydrophobicContact CE1-CG 4.28Å; F144-L148 HydrophobicContact CE2-CD2 4.42Å; F144-L148 HydrophobicContact CZ-CD1 4.01Å; F144-L148 HydrophobicContact CZ-CD2 4.17Å; F144-L148 HydrophobicContact CZ-CG 4.29Å; F144-L148 WeakPolarHBondContact O-CG 3.41Å; F144-L148 PolarHBondContact O-N 3.49Å; F144-Y160 HydrophobicContact CE1-CD1 4.5Å; F144-Y160 HydrophobicContact CZ-CD1 4.29Å; F144-Y160 HydrophobicContact CZ-CG 4.17Å; F144-T164 HydrophobicContact CD1-CG2 3.96Å; F144-T164 HydrophobicContact CE1-CG2 4.39Å; F144-T164 WeakPolarHBondContact CE1-OG1 3.29Å; F144-H181 AromaticContact CD1-CE1 3.74Å; F144-N183 HydrophobicContact CD1-CB 4.29Å; F144-N183 HydrophobicContact CE1-CB 3.55Å; F144-N183 HydrophobicContact CZ-CB 4.16Å; F144-I184 HydrophobicContact CB-CD1 4.27Å; F144-I184 HydrophobicContact CB-CG1 4.14Å; F144-I184 HydrophobicContact CD1-CG1 4.38Å; F144-I184 HydrophobicContact CD2-CG1 4.09Å; F144-I184 HydrophobicContact CG-CG1 3.93Å; F144-C187 HydrophobicContact CE2-CB 4.28Å; F144-C187 HydrophobicContact CZ-CB 4.4Å; F144-C193 VanDerWaalsContact CE2-SG 3.57Å; F144-I197 HydrophobicContact CB-CD1 3.53Å; F144-I197 HydrophobicContact CD2-CD1 3.63Å; F144-I197 HydrophobicContact CG-CD1 3.98Å
145A86.1Confident83.5Confident0 Ų042.8 Ų42.80%021%0.205CC..Hα-helixtrans-58.1-46.1176.600000111.4D142 G147 L148 I149 T164 K165D142-A145 HydrophobicContact CB-CB 3.78Å; D142-A145 CarbonylContact O-C 3.57Å; D142-A145 WeakPolarHBondContact O-CA 3.36Å; D142-A145 VanDerWaalsContact O-CB 3.31Å; D142-A145 WeakPolarHBondContact O-CB 3.45Å; D142-A145 PolarHBondContact O-N 2.91Å; A145-G147 VanDerWaalsContact C-N 3.35Å; A145-G147 PolarHBondContact O-N 3.31Å; A145-L148 WeakPolarHBondContact O-CB 3.28Å; A145-L148 PolarHBondContact O-N 3.18Å; A145-L148 VanDerWaalsContact O-N 3.14Å; A145-I149 WeakPolarHBondContact O-CD1 3.38Å; A145-I149 VanDerWaalsContact O-CG1 3.26Å; A145-I149 WeakPolarHBondContact O-CG1 3.46Å; A145-I149 PolarHBondContact O-N 2.63Å; A145-I149 VanDerWaalsContact O-N 3.1Å; A145-T164 HydrophobicContact CB-CG2 3.42Å; A145-T164 VanDerWaalsContact CB-CG2 3.42Å; A145-K165 WeakPolarHBondContact CB-O 3.45Å
146G83.1Confident83Confident0 Ų045.2 Ų45.20%020%0.203CC..Hα-helixtrans-51.1-52.2173.300000111.6D142 F144 L148 I149 L150 F397D142-G146 PolarHBondContact O-N 3.26Å; F144-G146 VanDerWaalsContact C-N 3.32Å; F144-G146 PolarHBondContact O-N 3.25Å; G146-L148 VanDerWaalsContact C-N 3.34Å; G146-L148 PolarHBondContact O-N 2.88Å; G146-I149 PolarHBondContact O-N 2.84Å; G146-L150 WeakPolarHBondContact O-CD1 3.34Å; G146-L150 VanDerWaalsContact O-CG 3.24Å; G146-L150 WeakPolarHBondContact O-CG 3.07Å; G146-F397 VanDerWaalsContact CA-CZ 3.42Å
147G81.1Confident82.4Confident10 Ų1041.2 Ų41.210%0.10319%0.189CC..Hα-helixtrans-60.7-37.5177.700000114L143 F144 A145 L150 Q151L143-G147 PolarHBondContact O-N 3.06Å; F144-G147 PolarHBondContact O-N 3.41Å; A145-G147 VanDerWaalsContact C-N 3.35Å; A145-G147 PolarHBondContact O-N 3.31Å; G147-L150 PolarHBondContact O-N 3.02Å; G147-Q151 WeakPolarHBondContact O-CG 3.29Å
148L79.1Confident81.8Confident5 Ų538.9 Ų38.93%0.02618%0.178CC..Hα-helixtrans-65-41.6177.4-65.7177.4000112.5F144 A145 G146 L150 Q151 M157 Y161 T164 M407F144-L148 HydrophobicContact CD1-CD1 4.05Å; F144-L148 HydrophobicContact CE1-CD1 3.63Å; F144-L148 HydrophobicContact CE1-CG 4.28Å; F144-L148 HydrophobicContact CE2-CD2 4.42Å; F144-L148 HydrophobicContact CZ-CD1 4.01Å; F144-L148 HydrophobicContact CZ-CD2 4.17Å; F144-L148 HydrophobicContact CZ-CG 4.29Å; F144-L148 WeakPolarHBondContact O-CG 3.41Å; F144-L148 PolarHBondContact O-N 3.49Å; A145-L148 WeakPolarHBondContact O-CB 3.28Å; A145-L148 PolarHBondContact O-N 3.18Å; A145-L148 VanDerWaalsContact O-N 3.14Å; G146-L148 VanDerWaalsContact C-N 3.34Å; G146-L148 PolarHBondContact O-N 2.88Å; L148-L150 PolarHBondContact O-N 3.35Å; L148-L150 VanDerWaalsContact O-N 3.12Å; L148-Q151 PolarHBondContact O-N 3.06Å; L148-M157 HydrophobicContact CD2-CE 3.15Å; L148-Y161 HydrophobicContact CB-CD1 4.43Å; L148-Y161 HydrophobicContact CB-CE1 3.97Å; L148-Y161 VanDerWaalsContact O-CE1 3.22Å; L148-Y161 WeakPolarHBondContact O-CE1 3.42Å; L148-Y161 PolarHBondContact O-OH 2.89Å; L148-Y161 VanDerWaalsContact O-OH 3.08Å; L148-T164 HydrophobicContact CD1-CG2 4.13Å; L148-M407 HydrophobicContact CB-CE 3.81Å; L148-M407 HydrophobicContact CD1-CE 4.46Å
149I72.2Confident81.2Confident8 Ų842.5 Ų42.54%0.04120%0.203CC..Hα-helixtrans-58.8-26.3-176.7-66.2161.3000111.6A145 G146 N404 M407 F409A145-I149 WeakPolarHBondContact O-CD1 3.38Å; A145-I149 VanDerWaalsContact O-CG1 3.26Å; A145-I149 WeakPolarHBondContact O-CG1 3.46Å; A145-I149 PolarHBondContact O-N 2.63Å; A145-I149 VanDerWaalsContact O-N 3.1Å; G146-I149 PolarHBondContact O-N 2.84Å; I149-N404 HydrophobicContact CG2-CB 4.29Å; I149-N404 PolarHBondContact O-ND2 3.49Å; I149-M407 HydrophobicContact CB-CE 4.5Å; I149-M407 HydrophobicContact CD1-CE 4.37Å; I149-M407 HydrophobicContact CG1-CE 3.43Å; I149-M407 VanDerWaalsContact CG1-CE 3.43Å; I149-M407 HydrophobicContact CG1-CG 4.01Å; I149-F409 HydrophobicContact CD1-CD2 3.82Å; I149-F409 HydrophobicContact CD1-CE2 4.07Å
150L71.9Confident80.6Confident7 Ų742.2 Ų42.24%0.03720%0.2CC..THydrogen-bonded Turntrans-101-9.9-168.1-54.1163.1000112.9G146 G147 L148 Y319 Y320 P343 F397G146-L150 WeakPolarHBondContact O-CD1 3.34Å; G146-L150 VanDerWaalsContact O-CG 3.24Å; G146-L150 WeakPolarHBondContact O-CG 3.07Å; G147-L150 PolarHBondContact O-N 3.02Å; L148-L150 PolarHBondContact O-N 3.35Å; L148-L150 VanDerWaalsContact O-N 3.12Å; L150-Y319 PolarHBondContact O-OH 3.45Å; L150-Y319 VanDerWaalsContact O-OH 3.09Å; L150-Y320 HydrophobicContact CB-CD1 4.16Å; L150-Y320 HydrophobicContact CB-CD2 3.9Å; L150-Y320 HydrophobicContact CB-CE1 4.18Å; L150-Y320 HydrophobicContact CB-CE2 3.93Å; L150-Y320 HydrophobicContact CB-CG 4.02Å; L150-Y320 HydrophobicContact CD1-CD2 4.49Å; L150-Y320 HydrophobicContact CD1-CE2 4.31Å; L150-Y320 HydrophobicContact CD2-CD2 3.57Å; L150-Y320 HydrophobicContact CD2-CE2 4.2Å; L150-Y320 HydrophobicContact CD2-CG 3.97Å; L150-Y320 HydrophobicContact CG-CD2 4.18Å; L150-Y320 HydrophobicContact CG-CE2 4.38Å; L150-Y320 WeakPolarHBondContact O-CD1 3.34Å; L150-Y320 WeakPolarHBondContact O-CE1 3.35Å; L150-P343 HydrophobicContact CD1-CB 4.41Å; L150-P343 HydrophobicContact CD1-CG 3.19Å; L150-P343 HydrophobicContact CD2-CG 4.12Å; L150-P343 HydrophobicContact CG-CG 4.27Å; L150-F397 HydrophobicContact CD1-CE1 3.83Å; L150-F397 HydrophobicContact CD1-CZ 3.6Å
151Q68.4Low79.9Confident46 Ų4642 Ų4222%0.21520%0.199CC..SBendtrans-89.7147.6177.7-67.7-176.713.400111G147 L148 R153 Y161G147-Q151 WeakPolarHBondContact O-CG 3.29Å; L148-Q151 PolarHBondContact O-N 3.06Å; Q151-R153 PolarHBondContact O-N 3.08Å; Q151-Y161 PolarHBondContact O-OH 3.3Å
152D67.9Low79.4Confident111 Ų11151 Ų5159%0.59423%0.232SC*.  trans-52.7128.7164.2-73.8-37.1000109.4K154 Y319D152-K154 PolarHBondContact O-N 3.06Å; D152-Y319 PolarHBondContact N-OH 3.34Å; D152-Y319 PolarHBondContact OD1-OH 3.35Å
153R70Confident79.1Confident98 Ų9854.6 Ų54.637%0.3725%0.254SS..  trans-59.3111.3177.9-100.1-168.2176.8-131.62.1110.1Q151 E158 Y161 S406Q151-R153 PolarHBondContact O-N 3.08Å; R153-E158 IonicContact CZ-OE1 2.74Å; R153-E158 IonicContact CZ-OE2 3.19Å; R153-E158 IonicContact NE-OE1 3.66Å; R153-E158 IonicContact NH1-OE1 3.8Å; R153-E158 PolarHBondContact NH1-OE1 3.11Å; R153-E158 IonicContact NH1-OE2 2.71Å; R153-E158 PolarHBondContact NH1-OE2 3Å; R153-Y161 HydrophobicContact CG-CD2 4.17Å; R153-Y161 HydrophobicContact CG-CE1 4.29Å; R153-Y161 HydrophobicContact CG-CE2 3.75Å; R153-S406 PolarHBondContact NE-OG 2.72Å; R153-S406 PolarHBondContact NH2-O 2.9Å; R153-S406 PolarHBondContact NH2-OG 3.29Å; R153-S406 VanDerWaalsContact NH2-OG 3.08Å
154K75.5Confident79Confident97 Ų9754.4 Ų54.442%0.42225%0.253SS..  trans-101.1139.8171.2-65.4175.2-174.7174.70109.8D152 Y156 M157D152-K154 PolarHBondContact O-N 3.06Å; K154-Y156 HydrophobicContact CB-CD1 3.93Å; K154-Y156 HydrophobicContact CB-CE1 3.56Å; K154-Y156 HydrophobicContact CB-CE2 4.49Å; K154-Y156 HydrophobicContact CD-CE1 3.56Å; K154-Y156 HydrophobicContact CD-CE2 4.49Å; K154-Y156 VanDerWaalsContact CD-CZ 3.44Å; K154-Y156 WeakPolarHBondContact CD-OH 3.22Å; K154-Y156 HydrophobicContact CG-CE1 4.11Å; K154-Y156 PolarHBondContact NZ-OH 2.86Å; K154-Y156 PolarHBondContact O-N 2.72Å; K154-Y156 VanDerWaalsContact O-N 3.11Å; K154-M157 HydrophobicContact CB-SD 4.38Å; K154-M157 PolarHBondContact O-N 3.06Å
155F77.1Confident79Confident191 Ų19161.3 Ų61.384%0.83828%0.283SS*.G310 helixtrans-52.8-37.7-176.2176.5-97.9000113.5M157 E158F155-M157 PolarHBondContact O-N 3.3Å; F155-E158 WeakPolarHBondContact O-CB 3.31Å; F155-E158 WeakPolarHBondContact O-CG 3.45Å; F155-E158 PolarHBondContact O-N 3.43Å
156Y75.9Confident79.1Confident126 Ų12661.7 Ų61.749%0.49429%0.286SS..G310 helixtrans-71.7-11.1-179.762.6-98.5000114.3K154K154-Y156 HydrophobicContact CB-CD1 3.93Å; K154-Y156 HydrophobicContact CB-CE1 3.56Å; K154-Y156 HydrophobicContact CB-CE2 4.49Å; K154-Y156 HydrophobicContact CD-CE1 3.56Å; K154-Y156 HydrophobicContact CD-CE2 4.49Å; K154-Y156 VanDerWaalsContact CD-CZ 3.44Å; K154-Y156 WeakPolarHBondContact CD-OH 3.22Å; K154-Y156 HydrophobicContact CG-CE1 4.11Å; K154-Y156 PolarHBondContact NZ-OH 2.86Å; K154-Y156 PolarHBondContact O-N 2.72Å; K154-Y156 VanDerWaalsContact O-N 3.11Å
157M78.6Confident79.6Confident14 Ų1462.4 Ų62.47%0.06929%0.289CS..G310 helixtrans-99.1-2.6178.7-63.6177.564.400112.9L148 K154 F155 S159 Y160 Y161L148-M157 HydrophobicContact CD2-CE 3.15Å; K154-M157 HydrophobicContact CB-SD 4.38Å; K154-M157 PolarHBondContact O-N 3.06Å; F155-M157 PolarHBondContact O-N 3.3Å; M157-S159 PolarHBondContact O-N 3.19Å; M157-S159 VanDerWaalsContact O-N 3.16Å; M157-Y160 HydrophobicContact CB-CD2 4.39Å; M157-Y160 WeakPolarHBondContact O-CB 3.39Å; M157-Y160 PolarHBondContact O-N 2.84Å; M157-Y161 HydrophobicContact CB-CD2 4.01Å; M157-Y161 HydrophobicContact CB-CE2 3.54Å; M157-Y161 WeakPolarHBondContact O-CD2 3.33Å; M157-Y161 PolarHBondContact O-N 2.04Å; M157-Y161 VanDerWaalsContact O-N 3.14Å
158E81.6Confident80.2Confident44 Ų4463.3 Ų63.321%0.20629%0.291CS..Hα-helixtrans-54.8-36-176.5-78.1-64.6141.500113.7R153 F155 Y160 Y161 R162R153-E158 IonicContact CZ-OE1 2.74Å; R153-E158 IonicContact CZ-OE2 3.19Å; R153-E158 IonicContact NE-OE1 3.66Å; R153-E158 IonicContact NH1-OE1 3.8Å; R153-E158 PolarHBondContact NH1-OE1 3.11Å; R153-E158 IonicContact NH1-OE2 2.71Å; R153-E158 PolarHBondContact NH1-OE2 3Å; F155-E158 WeakPolarHBondContact O-CB 3.31Å; F155-E158 WeakPolarHBondContact O-CG 3.45Å; F155-E158 PolarHBondContact O-N 3.43Å; E158-Y160 VanDerWaalsContact C-N 3.33Å; E158-Y160 PolarHBondContact O-N 3.29Å; E158-Y161 PolarHBondContact O-N 2.95Å; E158-R162 WeakPolarHBondContact O-CG 3.19Å; E158-R162 PolarHBondContact O-N 2.98Å
159S83.5Confident81Confident76 Ų7666.5 Ų66.553%0.53131%0.311SS..Hα-helixtrans-61.5-43.1175.3-172.60000111.3M157 R162 T163M157-S159 PolarHBondContact O-N 3.19Å; M157-S159 VanDerWaalsContact O-N 3.16Å; S159-R162 PolarHBondContact O-N 3.24Å; S159-T163 WeakPolarHBondContact O-CG2 3.39Å; S159-T163 PolarHBondContact O-N 3.34Å; S159-T163 VanDerWaalsContact O-N 3.11Å; S159-T163 PolarHBondContact O-OG1 3.19Å
160Y84.1Confident82.2Confident12 Ų1266.2 Ų66.25%0.04731%0.31CS..Hα-helixtrans-67.5-41179.7-57.2-48.6000111.6F144 M157 E158 R162 T163 T164 N183 S186 C187F144-Y160 HydrophobicContact CE1-CD1 4.5Å; F144-Y160 HydrophobicContact CZ-CD1 4.29Å; F144-Y160 HydrophobicContact CZ-CG 4.17Å; M157-Y160 HydrophobicContact CB-CD2 4.39Å; M157-Y160 WeakPolarHBondContact O-CB 3.39Å; M157-Y160 PolarHBondContact O-N 2.84Å; E158-Y160 VanDerWaalsContact C-N 3.33Å; E158-Y160 PolarHBondContact O-N 3.29Å; Y160-R162 PolarHBondContact O-N 2.82Å; Y160-T163 PolarHBondContact O-N 3.22Å; Y160-T164 WeakPolarHBondContact O-CB 3.39Å; Y160-T164 PolarHBondContact O-N 3.18Å; Y160-T164 PolarHBondContact O-OG1 3.38Å; Y160-N183 HydrophobicContact CD1-CB 3.8Å; Y160-N183 HydrophobicContact CE1-CB 4.13Å; Y160-S186 PolarHBondContact OH-OG 3.19Å; Y160-C187 HydrophobicContact CE2-CB 4.29Å; Y160-C187 VanDerWaalsContact OH-CA 3.3Å; Y160-C187 WeakPolarHBondContact OH-CA 3.35Å; Y160-C187 PolarHBondContact OH-N 3.21Å; Y160-C187 VanDerWaalsContact OH-N 3.15Å
161Y81.3Confident83.3Confident3 Ų366.4 Ų66.41%0.01231%0.311CS..Hα-helixtrans-59.9-31.5175.2-70.4-69.2000113.2L148 Q151 R153 M157 E158 M407L148-Y161 HydrophobicContact CB-CD1 4.43Å; L148-Y161 HydrophobicContact CB-CE1 3.97Å; L148-Y161 VanDerWaalsContact O-CE1 3.22Å; L148-Y161 WeakPolarHBondContact O-CE1 3.42Å; L148-Y161 PolarHBondContact O-OH 2.89Å; L148-Y161 VanDerWaalsContact O-OH 3.08Å; Q151-Y161 PolarHBondContact O-OH 3.3Å; R153-Y161 HydrophobicContact CG-CD2 4.17Å; R153-Y161 HydrophobicContact CG-CE1 4.29Å; R153-Y161 HydrophobicContact CG-CE2 3.75Å; M157-Y161 HydrophobicContact CB-CD2 4.01Å; M157-Y161 HydrophobicContact CB-CE2 3.54Å; M157-Y161 WeakPolarHBondContact O-CD2 3.33Å; M157-Y161 PolarHBondContact O-N 2.04Å; M157-Y161 VanDerWaalsContact O-N 3.14Å; E158-Y161 PolarHBondContact O-N 2.95Å; Y161-M407 HydrophobicContact CD1-CE 3.87Å; Y161-M407 HydrophobicContact CD1-CG 4.3Å; Y161-M407 HydrophobicContact CD1-SD 3.69Å; Y161-M407 HydrophobicContact CE1-CE 4.29Å
162R81.9Confident84.4Confident201 Ų20164.2 Ų64.276%0.75830%0.301SS*.Hα-helixtrans-83-31.2179.6-71.1177.5-174.1-99.6-0.1113.7E158 S159 Y160E158-R162 WeakPolarHBondContact O-CG 3.19Å; E158-R162 PolarHBondContact O-N 2.98Å; S159-R162 PolarHBondContact O-N 3.24Å; Y160-R162 PolarHBondContact O-N 2.82Å
163T85.4Confident85.6Confident79 Ų7961 Ų6149%0.48528%0.284SS..Hα-helixtrans-106.3-20.7-169.763.80000114.2S159 Y160 N183S159-T163 WeakPolarHBondContact O-CG2 3.39Å; S159-T163 PolarHBondContact O-N 3.34Å; S159-T163 VanDerWaalsContact O-N 3.11Å; S159-T163 PolarHBondContact O-OG1 3.19Å; Y160-T163 PolarHBondContact O-N 3.22Å; T163-N183 PolarHBondContact OG1-ND2 2.92Å; T163-N183 PolarHBondContact OG1-OD1 2.73Å
164T86.4Confident86.8Confident4 Ų459.9 Ų59.93%0.02528%0.283CS..  trans-75.4133.2-179.1-62.30000111.5F144 A145 L148 Y160 N183F144-T164 HydrophobicContact CD1-CG2 3.96Å; F144-T164 HydrophobicContact CE1-CG2 4.39Å; F144-T164 WeakPolarHBondContact CE1-OG1 3.29Å; A145-T164 HydrophobicContact CB-CG2 3.42Å; A145-T164 VanDerWaalsContact CB-CG2 3.42Å; L148-T164 HydrophobicContact CD1-CG2 4.13Å; Y160-T164 WeakPolarHBondContact O-CB 3.39Å; Y160-T164 PolarHBondContact O-N 3.18Å; Y160-T164 PolarHBondContact O-OG1 3.38Å; T164-N183 PolarHBondContact N-ND2 3.01Å; T164-N183 PolarHBondContact OG1-ND2 2.92Å
165K87.9Confident87.7Confident156 Ų15655.4 Ų55.468%0.67826%0.264SS*.  trans-91.4157.8172.3-71.4-173.9178.3-174.40110.1A145A145-K165 WeakPolarHBondContact CB-O 3.45Å
166P88.1Confident88.4Confident8 Ų846.3 Ų46.35%0.05222%0.224CC..SBendtrans-79.1-29.3-174.125.3-19.7000111.8L79 L141 D142 F409L79-P166 HydrophobicContact CD2-CG 3.7Å; L141-P166 WeakPolarHBondContact CD1-O 3.49Å; D142-P166 WeakPolarHBondContact CB-O 3.34Å; D142-P166 PolarHBondContact N-O 2.93Å; P166-F409 HydrophobicContact CB-CD1 3.38Å; P166-F409 HydrophobicContact CB-CD2 3.73Å; P166-F409 HydrophobicContact CB-CE1 3.22Å; P166-F409 HydrophobicContact CB-CE2 3.46Å; P166-F409 VanDerWaalsContact CB-CE2 3.46Å; P166-F409 HydrophobicContact CB-CG 3.71Å; P166-F409 HydrophobicContact CB-CZ 3.23Å; P166-F409 HydrophobicContact CG-CD1 3.25Å; P166-F409 HydrophobicContact CG-CE1 2.97Å; P166-F409 HydrophobicContact CG-CE2 4.2Å; P166-F409 HydrophobicContact CG-CG 4.11Å; P166-F409 HydrophobicContact CG-CZ 3.48Å; P166-F409 VanDerWaalsContact CG-CZ 3.48Å
167F93.5Very high89.2Confident15 Ų1542.7 Ų42.77%0.06621%0.209CC..EExtended strand (participates in β ladder)trans-119.8145.3-170.7-56.5-54.5000107.1L72 E75 V78 L79 T139 S140 L141 M412L72-F167 HydrophobicContact CD2-CD1 3.89Å; L72-F167 HydrophobicContact CD2-CD2 3.94Å; L72-F167 HydrophobicContact CD2-CE1 3.66Å; L72-F167 HydrophobicContact CD2-CE2 3.72Å; L72-F167 HydrophobicContact CD2-CG 4.07Å; L72-F167 HydrophobicContact CD2-CZ 3.58Å; E75-F167 HydrophobicContact CB-CD2 3.86Å; E75-F167 HydrophobicContact CB-CE2 4.29Å; V78-F167 HydrophobicContact CG1-CE2 4.22Å; V78-F167 HydrophobicContact CG1-CZ 3.88Å; L79-F167 HydrophobicContact CD2-CE2 4.4Å; L79-F167 HydrophobicContact CG-CE2 4.21Å; T139-F167 HydrophobicContact CG2-CB 3.91Å; T139-F167 HydrophobicContact CG2-CG 4.47Å; S140-F167 CarbonylContact O-C 3.56Å; S140-F167 WeakPolarHBondContact O-CA 3.26Å; L141-F167 HydrophobicContact CD1-CD1 4.38Å; L141-F167 HydrophobicContact CD1-CE1 4.14Å; F167-M412 HydrophobicContact CE2-SD 4.24Å; F167-M412 HydrophobicContact CZ-CE 3.78Å; F167-M412 HydrophobicContact CZ-SD 3.88Å
168I94.2Very high89.8Confident28 Ų2842.6 Ų42.614%0.14421%0.212CC..EExtended strand (participates in β ladder)trans-122.3136.4172-173.5171.5000107.8T139 S140 D142 A170 Y179T139-I168 WeakPolarHBondContact CA-O 3.38Å; S140-I168 PolarHBondContact N-O 2.82Å; S140-I168 PolarHBondContact O-N 2.73Å; D142-I168 HydrophobicContact CB-CB 4.2Å; D142-I168 HydrophobicContact CB-CG2 4.16Å; I168-A170 HydrophobicContact CD1-CB 4.48Å; I168-A170 HydrophobicContact CG1-CB 4.32Å; I168-Y179 HydrophobicContact CD1-CD2 3.33Å; I168-Y179 HydrophobicContact CD1-CE2 3.71Å; I168-Y179 HydrophobicContact CD1-CG 3.87Å; I168-Y179 HydrophobicContact CG2-CE2 4.38Å
169T96.4Very high90.3Very high72 Ų7240.9 Ų40.944%0.44220%0.203SC..EExtended strand (participates in β ladder)trans-100116.1168-53.40000107.7Q137 I138 T139Q137-T169 HydrophobicContact CB-CG2 3.79Å; Q137-T169 HydrophobicContact CG-CG2 4.46Å; I138-T169 WeakPolarHBondContact O-CA 3.12Å; T139-T169 PolarHBondContact OG1-OG1 3.48Å
170A95.6Very high90.8Very high3 Ų339.8 Ų39.83%0.02519%0.194CC..EExtended strand (participates in β ladder)trans-148.2169.7-176.600000110.8I138 I168 E174 I175I138-A170 PolarHBondContact N-O 3.02Å; I138-A170 PolarHBondContact O-N 2.82Å; I168-A170 HydrophobicContact CD1-CB 4.48Å; I168-A170 HydrophobicContact CG1-CB 4.32Å; A170-E174 HydrophobicContact CB-CB 3.97Å; A170-I175 HydrophobicContact CB-CG1 4.08Å
171T95Very high91.2Very high11 Ų1141.3 Ų41.37%0.06720%0.201CC..  trans-73.7157.3175.462.80000111.6Y134 N173 E174 I175Y134-T171 VanDerWaalsContact O-CG2 3.26Å; Y134-T171 WeakPolarHBondContact O-CG2 3.37Å; T171-N173 VanDerWaalsContact C-N 3.26Å; T171-N173 PolarHBondContact O-N 2.76Å; T171-E174 WeakPolarHBondContact CB-OE2 3.27Å; T171-E174 WeakPolarHBondContact CG2-OE2 3.32Å; T171-E174 PolarHBondContact N-OE2 2.92Å; T171-E174 WeakPolarHBondContact O-CB 3.41Å; T171-E174 PolarHBondContact O-N 3.04Å; T171-E174 VanDerWaalsContact O-N 3.08Å; T171-E174 WeakPolarHBondContact OG1-CB 3.33Å; T171-E174 VanDerWaalsContact OG1-CD 3.28Å; T171-E174 WeakPolarHBondContact OG1-CG 3.47Å; T171-E174 PolarHBondContact OG1-N 2.93Å; T171-E174 PolarHBondContact OG1-OE2 3.06Å; T171-I175 PolarHBondContact O-N 3.32Å
172P93.4Very high91.7Very high0 Ų045.4 Ų45.40%023%0.23CC..Hα-helixtrans-51.2-45173.1-27.528.8000113L69 Y92 V133 R136 I138 E174 I175 I176L69-P172 HydrophobicContact CD1-CB 3.74Å; L69-P172 HydrophobicContact CD1-CG 4.31Å; Y92-P172 HydrophobicContact CD1-CB 4.07Å; Y92-P172 HydrophobicContact CD1-CG 4.26Å; Y92-P172 HydrophobicContact CD2-CB 3.96Å; Y92-P172 HydrophobicContact CD2-CG 4.4Å; Y92-P172 HydrophobicContact CE1-CB 3.78Å; Y92-P172 HydrophobicContact CE1-CG 3.48Å; Y92-P172 VanDerWaalsContact CE1-CG 3.48Å; Y92-P172 HydrophobicContact CE2-CB 3.69Å; Y92-P172 HydrophobicContact CE2-CG 3.67Å; Y92-P172 HydrophobicContact CG-CB 4.14Å; Y92-P172 WeakPolarHBondContact OH-CG 3.27Å; V133-P172 HydrophobicContact CB-CB 4.34Å; V133-P172 WeakPolarHBondContact O-CD 3.36Å; R136-P172 WeakPolarHBondContact O-CD 3.48Å; I138-P172 HydrophobicContact CD1-CG 3.8Å; P172-E174 VanDerWaalsContact C-N 3.31Å; P172-E174 PolarHBondContact O-N 3.3Å; P172-I175 PolarHBondContact O-N 3.15Å; P172-I176 HydrophobicContact CB-CD1 4.35Å; P172-I176 VanDerWaalsContact O-CB 3.3Å; P172-I176 WeakPolarHBondContact O-CB 3.46Å; P172-I176 WeakPolarHBondContact O-CD1 3.18Å; P172-I176 WeakPolarHBondContact O-CG1 3.42Å; P172-I176 PolarHBondContact O-N 3.43Å
173N92.6Very high92Very high43 Ų4336.7 Ų36.723%0.2320%0.199CC..Hα-helixtrans-59.4-42.7178.4178.180000111.9V133 Y134 T171 W177V133-N173 HydrophobicContact CB-CB 4.24Å; V133-N173 HydrophobicContact CG2-CB 4.36Å; V133-N173 WeakPolarHBondContact O-CB 3.37Å; V133-N173 PolarHBondContact O-N 3.46Å; Y134-N173 HydrophobicContact CD1-CB 3.87Å; Y134-N173 HydrophobicContact CE1-CB 3.77Å; Y134-N173 VanDerWaalsContact CE1-CG 3.48Å; T171-N173 VanDerWaalsContact C-N 3.26Å; T171-N173 PolarHBondContact O-N 2.76Å; N173-W177 WeakPolarHBondContact O-CB 3.27Å; N173-W177 PolarHBondContact O-N 3.35Å; N173-W177 VanDerWaalsContact OD1-CD1 3.28Å
174E94.1Very high92.2Very high74 Ų7433 Ų3335%0.34618%0.176SC..Hα-helixtrans-65.9-45.8177.6-76.2169.913600112A170 T171 P172 G178 Y179A170-E174 HydrophobicContact CB-CB 3.97Å; T171-E174 WeakPolarHBondContact CB-OE2 3.27Å; T171-E174 WeakPolarHBondContact CG2-OE2 3.32Å; T171-E174 PolarHBondContact N-OE2 2.92Å; T171-E174 WeakPolarHBondContact O-CB 3.41Å; T171-E174 PolarHBondContact O-N 3.04Å; T171-E174 VanDerWaalsContact O-N 3.08Å; T171-E174 WeakPolarHBondContact OG1-CB 3.33Å; T171-E174 VanDerWaalsContact OG1-CD 3.28Å; T171-E174 WeakPolarHBondContact OG1-CG 3.47Å; T171-E174 PolarHBondContact OG1-N 2.93Å; T171-E174 PolarHBondContact OG1-OE2 3.06Å; P172-E174 VanDerWaalsContact C-N 3.31Å; P172-E174 PolarHBondContact O-N 3.3Å; E174-G178 CarbonylContact O-C 3.55Å; E174-G178 WeakPolarHBondContact O-CA 3.49Å; E174-G178 PolarHBondContact O-N 3.25Å; E174-Y179 PolarHBondContact O-N 3.27Å; E174-Y179 VanDerWaalsContact O-N 3.11Å
175I94.2Very high92.5Very high4 Ų438.7 Ų38.72%0.02120%0.2CC..Hα-helixtrans-63.2-45.2178.4-64.9170.4000111.1L69 I138 A170 T171 P172 V199L69-I175 HydrophobicContact CD1-CB 4.46Å; L69-I175 HydrophobicContact CD1-CD1 4.45Å; L69-I175 HydrophobicContact CD2-CG2 3.95Å; I138-I175 HydrophobicContact CB-CD1 3.78Å; I138-I175 HydrophobicContact CG2-CD1 3.72Å; A170-I175 HydrophobicContact CB-CG1 4.08Å; T171-I175 PolarHBondContact O-N 3.32Å; P172-I175 PolarHBondContact O-N 3.15Å; I175-V199 HydrophobicContact CG2-CG2 4.34Å; I175-V199 PolarHBondContact O-N 2.81Å
176I93Very high92.6Very high0 Ų033.2 Ų33.20%018%0.182CC..Hα-helixtrans-71.8-49.3-175.5-65164000110.7L67 L69 Y94 P172 S198 F200 I421L67-I176 HydrophobicContact CB-CD1 4.42Å; L67-I176 HydrophobicContact CD1-CD1 3.81Å; L67-I176 HydrophobicContact CD1-CG1 4.25Å; L67-I176 HydrophobicContact CD1-CG2 3.82Å; L69-I176 HydrophobicContact CD1-CD1 4.24Å; L69-I176 HydrophobicContact CD1-CG1 4.3Å; L69-I176 HydrophobicContact CD2-CG1 4.18Å; Y94-I176 HydrophobicContact CE2-CD1 4.46Å; P172-I176 HydrophobicContact CB-CD1 4.35Å; P172-I176 VanDerWaalsContact O-CB 3.3Å; P172-I176 WeakPolarHBondContact O-CB 3.46Å; P172-I176 WeakPolarHBondContact O-CD1 3.18Å; P172-I176 WeakPolarHBondContact O-CG1 3.42Å; P172-I176 PolarHBondContact O-N 3.43Å; I176-S198 WeakPolarHBondContact O-CB 3.47Å; I176-F200 HydrophobicContact CG2-CD2 3.63Å; I176-F200 HydrophobicContact CG2-CE2 4.04Å; I176-F200 HydrophobicContact CG2-CG 4.43Å; I176-F200 PolarHBondContact O-N 2.85Å; I176-I421 HydrophobicContact CG1-CD1 4.28Å
177W91.4Very high92.6Very high50 Ų5033.1 Ų33.119%0.18918%0.181CC..Hα-helixtrans-107.2-22.6-167-57.6114.8000114.9Y94 Y122 N173 S198 F200 N204Y94-W177 AromaticContact CD1-CZ2 3.89Å; Y94-W177 HydrophobicContact CD1-CZ2 3.89Å; Y94-W177 AromaticContact CE1-CE2 3.84Å; Y94-W177 AromaticContact CE1-CZ2 3.65Å; Y94-W177 HydrophobicContact CE1-CZ2 3.65Å; Y94-W177 AromaticContact CE1-NE1 3.46Å; Y94-W177 HydrophobicContact CE2-CZ2 4.47Å; Y94-W177 HydrophobicContact CG-CZ2 4.4Å; Y94-W177 AromaticContact CZ-CZ2 3.98Å; Y94-W177 AromaticContact CZ-NE1 3.43Å; Y94-W177 PolarHBondContact OH-NE1 2.71Å; Y122-W177 VanDerWaalsContact CB-CH2 3.41Å; Y122-W177 AromaticContact CD1-CH2 3.72Å; Y122-W177 HydrophobicContact CD1-CH2 3.72Å; Y122-W177 HydrophobicContact CD1-CZ2 4.25Å; Y122-W177 AromaticContact CD2-CH2 3.74Å; Y122-W177 HydrophobicContact CD2-CH2 3.74Å; Y122-W177 HydrophobicContact CD2-CZ3 4.2Å; Y122-W177 HydrophobicContact CE1-CH2 4.34Å; Y122-W177 HydrophobicContact CE2-CH2 4.39Å; Y122-W177 AromaticContact CG-CH2 3.35Å; Y122-W177 HydrophobicContact CG-CH2 3.35Å; Y122-W177 HydrophobicContact CG-CZ2 4.05Å; Y122-W177 HydrophobicContact CG-CZ3 4.25Å; N173-W177 WeakPolarHBondContact O-CB 3.27Å; N173-W177 PolarHBondContact O-N 3.35Å; N173-W177 VanDerWaalsContact OD1-CD1 3.28Å; W177-S198 WeakPolarHBondContact O-CB 3.34Å; W177-S198 PolarHBondContact O-OG 2.82Å; W177-F200 HydrophobicContact CE3-CB 4.06Å; W177-F200 HydrophobicContact CZ3-CB 3.73Å; W177-F200 HydrophobicContact CZ3-CG 4.32Å; W177-N204 HydrophobicContact CE3-CB 4.03Å; W177-N204 HydrophobicContact CZ3-CB 3.75Å
178G91.8Very high92.4Very high12 Ų1236.1 Ų36.112%0.12420%0.195CC..  trans154116.7-178.800000113.6E174 I197 S198E174-G178 CarbonylContact O-C 3.55Å; E174-G178 WeakPolarHBondContact O-CA 3.49Å; E174-G178 PolarHBondContact O-N 3.25Å; G178-I197 WeakPolarHBondContact CA-O 3.23Å; G178-S198 VanDerWaalsContact N-CB 3.32Å
179Y93.2Very high92.2Very high7 Ų740.1 Ų40.13%0.02722%0.221CC..BIsolated β-bridgetrans-111.4161.4162.960-90.7000110.8D142 L143 I168 E174 I184 K196 I197D142-Y179 PolarHBondContact OD1-OH 2.89Å; L143-Y179 WeakPolarHBondContact CB-OH 3.43Å; L143-Y179 PolarHBondContact N-OH 2.99Å; I168-Y179 HydrophobicContact CD1-CD2 3.33Å; I168-Y179 HydrophobicContact CD1-CE2 3.71Å; I168-Y179 HydrophobicContact CD1-CG 3.87Å; I168-Y179 HydrophobicContact CG2-CE2 4.38Å; E174-Y179 PolarHBondContact O-N 3.27Å; E174-Y179 VanDerWaalsContact O-N 3.11Å; Y179-I184 HydrophobicContact CD2-CD1 3.9Å; Y179-I184 HydrophobicContact CE2-CD1 3.88Å; Y179-K196 WeakPolarHBondContact O-CA 3.32Å; Y179-I197 VanDerWaalsContact CD1-O 3.26Å; Y179-I197 WeakPolarHBondContact CD1-O 3.24Å; Y179-I197 HydrophobicContact CE1-CG2 4.43Å; Y179-I197 WeakPolarHBondContact CE1-O 3.49Å; Y179-I197 HydrophobicContact CE2-CB 4.34Å; Y179-I197 HydrophobicContact CE2-CG2 4.49Å; Y179-I197 PolarHBondContact N-O 2.71Å; Y179-I197 PolarHBondContact O-N 2.91Å
180T93Very high91.8Very high54 Ų5443.4 Ų43.433%0.33123%0.23SC..  trans-145.4145.5174.4-168.90000108.8K185 E195T180-K185 WeakPolarHBondContact OG1-CG 3.41Å; T180-E195 PolarHBondContact OG1-O 3.11Å
181H91.9Very high91.2Very high43 Ų4346.6 Ų46.620%0.19926%0.263CS..  trans-140.7179.6171.157.286.1000109.2D142 F144 N183 I184 K185D142-H181 IonicContact OD1-NE2 3.26Å; D142-H181 IonicContact OD2-CE1 2.82Å; D142-H181 IonicContact OD2-NE2 3.17Å; D142-H181 PolarHBondContact OD2-NE2 2.81Å; F144-H181 AromaticContact CD1-CE1 3.74Å; H181-N183 VanDerWaalsContact C-N 3.29Å; H181-N183 PolarHBondContact ND1-N 3.02Å; H181-N183 PolarHBondContact O-N 3.27Å; H181-I184 WeakPolarHBondContact CD2-CD1 3.03Å; H181-I184 VanDerWaalsContact NE2-CD1 3.29Å; H181-I184 WeakPolarHBondContact NE2-CD1 3.06Å; H181-I184 WeakPolarHBondContact NE2-CG1 3.5Å; H181-I184 PolarHBondContact O-N 3.04Å; H181-I184 VanDerWaalsContact O-N 3.09Å; H181-K185 WeakPolarHBondContact O-CG 3.11Å; H181-K185 PolarHBondContact O-N 3.33Å
182S91.8Very high90.6Very high90 Ų9049.8 Ų49.863%0.62928%0.277SS*.Hα-helixtrans-49.6-45.9-173.950.90000113.7K185 S186S182-K185 PolarHBondContact O-N 2.89Å; S182-S186 WeakPolarHBondContact O-CB 3.33Å; S182-S186 PolarHBondContact O-N 2.91Å
183N89.7Confident89.9Confident18 Ų1850.8 Ų50.810%0.09628%0.283CS..Hα-helixtrans-68.7-39.5-179.8-66.4-16.4000112.7F144 Y160 T163 T164 H181 S186 C187F144-N183 HydrophobicContact CD1-CB 4.29Å; F144-N183 HydrophobicContact CE1-CB 3.55Å; F144-N183 HydrophobicContact CZ-CB 4.16Å; Y160-N183 HydrophobicContact CD1-CB 3.8Å; Y160-N183 HydrophobicContact CE1-CB 4.13Å; T163-N183 PolarHBondContact OG1-ND2 2.92Å; T163-N183 PolarHBondContact OG1-OD1 2.73Å; T164-N183 PolarHBondContact N-ND2 3.01Å; T164-N183 PolarHBondContact OG1-ND2 2.92Å; H181-N183 VanDerWaalsContact C-N 3.29Å; H181-N183 PolarHBondContact ND1-N 3.02Å; H181-N183 PolarHBondContact O-N 3.27Å; N183-S186 PolarHBondContact O-N 3.12Å; N183-C187 VanDerWaalsContact O-CB 3.28Å; N183-C187 WeakPolarHBondContact O-CB 3.48Å; N183-C187 PolarHBondContact O-N 2.91Å
184I89.7Confident89.5Confident0 Ų052.1 Ų52.10%029%0.294CS..Hα-helixtrans-63.2-47.7174.7-63.6171.1000110.1F144 Y179 H181 S186 C187 H188 E195 I197F144-I184 HydrophobicContact CB-CD1 4.27Å; F144-I184 HydrophobicContact CB-CG1 4.14Å; F144-I184 HydrophobicContact CD1-CG1 4.38Å; F144-I184 HydrophobicContact CD2-CG1 4.09Å; F144-I184 HydrophobicContact CG-CG1 3.93Å; Y179-I184 HydrophobicContact CD2-CD1 3.9Å; Y179-I184 HydrophobicContact CE2-CD1 3.88Å; H181-I184 WeakPolarHBondContact CD2-CD1 3.03Å; H181-I184 VanDerWaalsContact NE2-CD1 3.29Å; H181-I184 WeakPolarHBondContact NE2-CD1 3.06Å; H181-I184 WeakPolarHBondContact NE2-CG1 3.5Å; H181-I184 PolarHBondContact O-N 3.04Å; H181-I184 VanDerWaalsContact O-N 3.09Å; I184-S186 VanDerWaalsContact C-N 3.32Å; I184-S186 PolarHBondContact O-N 3.45Å; I184-C187 PolarHBondContact O-N 3.33Å; I184-H188 VanDerWaalsContact O-CB 3.3Å; I184-H188 WeakPolarHBondContact O-CB 3.26Å; I184-H188 PolarHBondContact O-N 3.4Å; I184-E195 VanDerWaalsContact CG2-O 3.31Å; I184-E195 WeakPolarHBondContact CG2-O 3.45Å; I184-I197 HydrophobicContact CD1-CB 4.16Å; I184-I197 HydrophobicContact CD1-CD1 3.7Å; I184-I197 HydrophobicContact CD1-CG1 4.08Å; I184-I197 HydrophobicContact CG1-CD1 3.81Å; I184-I197 HydrophobicContact CG1-CG1 4.49Å; I184-I197 HydrophobicContact CG2-CD1 4.46Å; I184-I197 HydrophobicContact CG2-CG1 4.48Å
185K92Very high89.1Confident124 Ų12454.2 Ų54.254%0.53930%0.304SS..Hα-helixtrans-59.2-43.5177.6-67.7-177.4-177.2-178.60112.1T180 H181 S182 T189T180-K185 WeakPolarHBondContact OG1-CG 3.41Å; H181-K185 WeakPolarHBondContact O-CG 3.11Å; H181-K185 PolarHBondContact O-N 3.33Å; S182-K185 PolarHBondContact O-N 2.89Å; K185-T189 WeakPolarHBondContact O-CB 3.43Å; K185-T189 PolarHBondContact O-N 3.08Å; K185-T189 PolarHBondContact O-OG1 3.35Å
186S90.9Very high88.9Confident42 Ų4259.3 Ų59.329%0.29433%0.326SS..Hα-helixtrans-61.9-51.3175.4175.40000110.9Y160 S182 N183 I184 H188 T189 F190Y160-S186 PolarHBondContact OH-OG 3.19Å; S182-S186 WeakPolarHBondContact O-CB 3.33Å; S182-S186 PolarHBondContact O-N 2.91Å; N183-S186 PolarHBondContact O-N 3.12Å; I184-S186 VanDerWaalsContact C-N 3.32Å; I184-S186 PolarHBondContact O-N 3.45Å; S186-H188 VanDerWaalsContact C-N 3.31Å; S186-H188 PolarHBondContact O-N 2.72Å; S186-T189 WeakPolarHBondContact O-CB 3.44Å; S186-T189 PolarHBondContact O-N 2.98Å; S186-T189 VanDerWaalsContact O-N 3.16Å; S186-F190 WeakPolarHBondContact O-CD2 3.32Å; S186-F190 PolarHBondContact O-N 2.97Å
187C87.1Confident88.6Confident5 Ų560.4 Ų60.43%0.03433%0.332CS..Hα-helixtrans-59.7-42.1-180-171.40000111.8F144 Y160 N183 I184 F190 G191 Q192 C193F144-C187 HydrophobicContact CE2-CB 4.28Å; F144-C187 HydrophobicContact CZ-CB 4.4Å; Y160-C187 HydrophobicContact CE2-CB 4.29Å; Y160-C187 VanDerWaalsContact OH-CA 3.3Å; Y160-C187 WeakPolarHBondContact OH-CA 3.35Å; Y160-C187 PolarHBondContact OH-N 3.21Å; Y160-C187 VanDerWaalsContact OH-N 3.15Å; N183-C187 VanDerWaalsContact O-CB 3.28Å; N183-C187 WeakPolarHBondContact O-CB 3.48Å; N183-C187 PolarHBondContact O-N 2.91Å; I184-C187 PolarHBondContact O-N 3.33Å; C187-F190 PolarHBondContact O-N 3.28Å; C187-G191 PolarHBondContact O-N 2.84Å; C187-Q192 WeakPolarHBondContact O-CB 3.29Å; C187-Q192 PolarHBondContact O-N 2.83Å; C187-Q192 VanDerWaalsContact SG-C 3.53Å; C187-Q192 WeakPolarHBondContact SG-CB 3.49Å; C187-C193 HydrophobicContact CB-CB 3.62Å; C187-C193 WeakPolarHBondContact CB-SG 3.38Å; C187-C193 PolarHBondContact O-N 3.15Å; C187-C193 WeakPolarHBondContact SG-CB 3.38Å; C187-C193 PolarHBondContact SG-N 2.99Å; C187-C193 VanDerWaalsContact SG-N 3.42Å; C187-C193 CovalentContact SG-SG 2.03Å; C187-C193 PolarHBondContact SG-SG 2.81Å
188H88.8Confident88.4Confident79 Ų7958.6 Ų58.637%0.36633%0.327SS..Hα-helixtrans-63.3-43175.7-178.859.7000112.6I184 S186 F190 G191 C193 E195I184-H188 VanDerWaalsContact O-CB 3.3Å; I184-H188 WeakPolarHBondContact O-CB 3.26Å; I184-H188 PolarHBondContact O-N 3.4Å; S186-H188 VanDerWaalsContact C-N 3.31Å; S186-H188 PolarHBondContact O-N 2.72Å; H188-F190 PolarHBondContact O-N 3.03Å; H188-G191 WeakPolarHBondContact O-CA 3.23Å; H188-G191 PolarHBondContact O-N 2.86Å; H188-C193 WeakPolarHBondContact CA-O 3.33Å; H188-C193 PolarHBondContact ND1-O 3.28Å; H188-E195 PolarHBondContact ND1-N 3.16Å
189T90.9Very high88Confident112 Ų11259.2 Ų59.269%0.68733%0.328SS*.Hα-helixtrans-58-33177.1-58.80000111.8K185 S186 G191K185-T189 WeakPolarHBondContact O-CB 3.43Å; K185-T189 PolarHBondContact O-N 3.08Å; K185-T189 PolarHBondContact O-OG1 3.35Å; S186-T189 WeakPolarHBondContact O-CB 3.44Å; S186-T189 PolarHBondContact O-N 2.98Å; S186-T189 VanDerWaalsContact O-N 3.16Å; T189-G191 VanDerWaalsContact C-N 3.3Å
190F87.1Confident87.5Confident141 Ų14159.7 Ų59.762%0.61833%0.33SS*.THydrogen-bonded Turntrans-86.76.2175.2-66.4-65.9000114.1S186 C187 H188 Q192S186-F190 WeakPolarHBondContact O-CD2 3.32Å; S186-F190 PolarHBondContact O-N 2.97Å; C187-F190 PolarHBondContact O-N 3.28Å; H188-F190 PolarHBondContact O-N 3.03Å; F190-Q192 HydrophobicContact CB-CG 4.08Å; F190-Q192 PolarHBondContact O-N 2.73Å
191G83.7Confident86.4Confident70 Ų7060.1 Ų60.172%0.72234%0.336SS*.THydrogen-bonded Turntrans68.220-179.400000114.1C187 H188 T189C187-G191 PolarHBondContact O-N 2.84Å; H188-G191 WeakPolarHBondContact O-CA 3.23Å; H188-G191 PolarHBondContact O-N 2.86Å; T189-G191 VanDerWaalsContact C-N 3.3Å
192Q81.4Confident85.3Confident78 Ų7862.7 Ų62.736%0.36434%0.344SS..SBendtrans-97.8-21-173.9-66.9170.5-1.500113C187 F190C187-Q192 WeakPolarHBondContact O-CB 3.29Å; C187-Q192 PolarHBondContact O-N 2.83Å; C187-Q192 VanDerWaalsContact SG-C 3.53Å; C187-Q192 WeakPolarHBondContact SG-CB 3.49Å; F190-Q192 HydrophobicContact CB-CG 4.08Å; F190-Q192 PolarHBondContact O-N 2.73Å
193C79.7Confident84.4Confident20 Ų2061.1 Ų61.114%0.13533%0.326CS..SBendtrans-138.1160.2-179.2-620000112F144 C187 H188F144-C193 VanDerWaalsContact CE2-SG 3.57Å; C187-C193 HydrophobicContact CB-CB 3.62Å; C187-C193 WeakPolarHBondContact CB-SG 3.38Å; C187-C193 PolarHBondContact O-N 3.15Å; C187-C193 WeakPolarHBondContact SG-CB 3.38Å; C187-C193 PolarHBondContact SG-N 2.99Å; C187-C193 VanDerWaalsContact SG-N 3.42Å; C187-C193 CovalentContact SG-SG 2.03Å; C187-C193 PolarHBondContact SG-SG 2.81Å; H188-C193 WeakPolarHBondContact CA-O 3.33Å; H188-C193 PolarHBondContact ND1-O 3.28Å
194P83.4Confident83.8Confident71 Ų7163.5 Ų63.546%0.46134%0.339SS..  trans-59.1157.8163.7-21.233.9000112.3K196P194-K196 VanDerWaalsContact C-N 3.3Å; P194-K196 WeakPolarHBondContact CB-O 3.41Å; P194-K196 PolarHBondContact O-N 2.88Å
195E87.3Confident83.3Confident118 Ų11864.9 Ų64.955%0.55135%0.354SS*.SBendtrans-63.1-37.8178.2-172.3-167.3158.700112.5T180 I184 H188T180-E195 PolarHBondContact OG1-O 3.11Å; I184-E195 VanDerWaalsContact CG2-O 3.31Å; I184-E195 WeakPolarHBondContact CG2-O 3.45Å; H188-E195 PolarHBondContact ND1-N 3.16Å
196K88Confident82.6Confident112 Ų11263.6 Ų63.649%0.48736%0.36SS..SBendtrans-131.9149.4179.6-62.2-176.2-175.9179.60109.6Y179 P194Y179-K196 WeakPolarHBondContact O-CA 3.32Å; P194-K196 VanDerWaalsContact C-N 3.3Å; P194-K196 WeakPolarHBondContact CB-O 3.41Å; P194-K196 PolarHBondContact O-N 2.88Å
197I87.9Confident82.2Confident22 Ų2264.6 Ų64.611%0.11336%0.362CS..BIsolated β-bridgetrans-114.5136.3174.5-66.9174.9000107.9L143 F144 G178 Y179 I184L143-I197 HydrophobicContact CB-CG2 3.6Å; L143-I197 HydrophobicContact CD1-CG2 4.13Å; L143-I197 HydrophobicContact CG-CG2 4.45Å; F144-I197 HydrophobicContact CB-CD1 3.53Å; F144-I197 HydrophobicContact CD2-CD1 3.63Å; F144-I197 HydrophobicContact CG-CD1 3.98Å; G178-I197 WeakPolarHBondContact CA-O 3.23Å; Y179-I197 VanDerWaalsContact CD1-O 3.26Å; Y179-I197 WeakPolarHBondContact CD1-O 3.24Å; Y179-I197 HydrophobicContact CE1-CG2 4.43Å; Y179-I197 WeakPolarHBondContact CE1-O 3.49Å; Y179-I197 HydrophobicContact CE2-CB 4.34Å; Y179-I197 HydrophobicContact CE2-CG2 4.49Å; Y179-I197 PolarHBondContact N-O 2.71Å; Y179-I197 PolarHBondContact O-N 2.91Å; I184-I197 HydrophobicContact CD1-CB 4.16Å; I184-I197 HydrophobicContact CD1-CD1 3.7Å; I184-I197 HydrophobicContact CD1-CG1 4.08Å; I184-I197 HydrophobicContact CG1-CD1 3.81Å; I184-I197 HydrophobicContact CG1-CG1 4.49Å; I184-I197 HydrophobicContact CG2-CD1 4.46Å; I184-I197 HydrophobicContact CG2-CG1 4.48Å
198S86Confident82.4Confident12 Ų1268.6 Ų68.68%0.08438%0.382CS..  trans-157162.8-179.962.80000111.8I176 W177 G178 F200 S201I176-S198 WeakPolarHBondContact O-CB 3.47Å; W177-S198 WeakPolarHBondContact O-CB 3.34Å; W177-S198 PolarHBondContact O-OG 2.82Å; G178-S198 VanDerWaalsContact N-CB 3.32Å; S198-F200 VanDerWaalsContact C-N 3.35Å; S198-S201 WeakPolarHBondContact OG-CA 3.39Å; S198-S201 WeakPolarHBondContact OG-CB 3.2Å; S198-S201 PolarHBondContact OG-N 2.85Å
199V84.3Confident82.7Confident25 Ų2566 Ų6615%0.15237%0.371CS..THydrogen-bonded Turntrans-69.4-34.9174.5-176.20000111.3L143 I175 I395 I420 I421L143-V199 HydrophobicContact CD1-CG2 4.12Å; I175-V199 HydrophobicContact CG2-CG2 4.34Å; I175-V199 PolarHBondContact O-N 2.81Å; V199-I395 HydrophobicContact CG1-CD1 4.35Å; V199-I420 HydrophobicContact CG2-CG2 3.63Å; V199-I421 HydrophobicContact CG1-CG2 3.8Å
200F82.5Confident82.9Confident17 Ų1763.4 Ų63.48%0.07535%0.351CS..THydrogen-bonded Turntrans-110.533-176-68-93.4000113.8L67 I176 W177 S198 R202 E203 I421 I423L67-F200 HydrophobicContact CD1-CE2 4.26Å; L67-F200 HydrophobicContact CD1-CZ 4.42Å; L67-F200 HydrophobicContact CD2-CE2 4.41Å; L67-F200 HydrophobicContact CD2-CZ 3.91Å; I176-F200 HydrophobicContact CG2-CD2 3.63Å; I176-F200 HydrophobicContact CG2-CE2 4.04Å; I176-F200 HydrophobicContact CG2-CG 4.43Å; I176-F200 PolarHBondContact O-N 2.85Å; W177-F200 HydrophobicContact CE3-CB 4.06Å; W177-F200 HydrophobicContact CZ3-CB 3.73Å; W177-F200 HydrophobicContact CZ3-CG 4.32Å; S198-F200 VanDerWaalsContact C-N 3.35Å; F200-R202 PolarHBondContact O-N 3.29Å; F200-E203 HydrophobicContact CB-CB 4.17Å; F200-E203 HydrophobicContact CB-CG 4.5Å; F200-E203 HydrophobicContact CD1-CB 4.16Å; F200-E203 HydrophobicContact CD1-CG 4.02Å; F200-E203 PolarHBondContact O-N 2.81Å; F200-I421 HydrophobicContact CE2-CD1 3.59Å; F200-I421 HydrophobicContact CZ-CD1 4.14Å; F200-I423 HydrophobicContact CE1-CD1 3.94Å; F200-I423 HydrophobicContact CZ-CD1 3.51Å; F200-I423 HydrophobicContact CZ-CG1 3.96Å
201S70.2Confident83.5Confident63 Ų6356.7 Ų56.744%0.44132%0.321SS..THydrogen-bonded Turntrans-51-29-170.562.50000115.2S198S198-S201 WeakPolarHBondContact OG-CA 3.39Å; S198-S201 WeakPolarHBondContact OG-CB 3.2Å; S198-S201 PolarHBondContact OG-N 2.85Å
202R69Low84.2Confident97 Ų9754.5 Ų54.537%0.36629%0.293SS..THydrogen-bonded Turntrans-103.6-5.5-176.9-62.2178.5-178.9-141.2-16.2114.9F200 N207 S338 D339F200-R202 PolarHBondContact O-N 3.29Å; R202-N207 WeakPolarHBondContact O-CB 3.43Å; R202-N207 PolarHBondContact O-N 3.17Å; R202-S338 VanDerWaalsContact CZ-OG 3.28Å; R202-S338 PolarHBondContact NH1-OG 2.82Å; R202-S338 VanDerWaalsContact NH1-OG 3.08Å; R202-S338 PolarHBondContact NH2-OG 3.4Å; R202-D339 IonicContact CZ-OD1 3.82Å; R202-D339 IonicContact CZ-OD2 2.92Å; R202-D339 IonicContact NE-OD1 2.77Å; R202-D339 IonicContact NE-OD2 3.31Å; R202-D339 PolarHBondContact NE-OD2 2.72Å; R202-D339 IonicContact NH2-OD1 3.71Å; R202-D339 PolarHBondContact NH2-OD1 3.22Å; R202-D339 IonicContact NH2-OD2 2.65Å; R202-D339 PolarHBondContact NH2-OD2 2.62Å
203E73.6Confident85Confident57 Ų5750.8 Ų50.827%0.26628%0.275SS..THydrogen-bonded Turntrans-93.3-32.1-163-73.5-77.6155.400113.9K96 S120 Y122 F200 G205K96-E203 IonicContact NZ-OE2 2.93Å; K96-E203 PolarHBondContact NZ-OE2 3.23Å; S120-E203 VanDerWaalsContact O-O 3.07Å; Y122-E203 HydrophobicContact CE2-CB 3.95Å; F200-E203 HydrophobicContact CB-CB 4.17Å; F200-E203 HydrophobicContact CB-CG 4.5Å; F200-E203 HydrophobicContact CD1-CB 4.16Å; F200-E203 HydrophobicContact CD1-CG 4.02Å; F200-E203 PolarHBondContact O-N 2.81Å; E203-G205 PolarHBondContact O-N 2.71Å
204N76.6Confident85.9Confident68 Ų6852.9 Ų52.936%0.36428%0.282SS..THydrogen-bonded Turntrans-86.793.9-175.9-159.210000111.9Y122 W177 S206Y122-N204 PolarHBondContact N-OD1 3.47Å; W177-N204 HydrophobicContact CE3-CB 4.03Å; W177-N204 HydrophobicContact CZ3-CB 3.75Å; N204-S206 PolarHBondContact O-N 2.74Å; N204-S206 PolarHBondContact O-OG 3.47Å
205G78.2Confident86.6Confident30 Ų3049.5 Ų49.531%0.30926%0.26SS..THydrogen-bonded Turntrans70-6.617000000116.5S120 N121 E203S120-G205 WeakPolarHBondContact O-CA 3.49Å; S120-G205 PolarHBondContact O-N 3.19Å; N121-G205 WeakPolarHBondContact OD1-CA 3.09Å; E203-G205 PolarHBondContact O-N 2.71Å
206S77.5Confident87Confident96 Ų9644.1 Ų44.167%0.67124%0.236SC*.THydrogen-bonded Turntrans-93.7-32.9-171-590000113.6N204N204-S206 PolarHBondContact O-N 2.74Å; N204-S206 PolarHBondContact O-OG 3.47Å
207N83.4Confident87.5Confident64 Ų6440.8 Ų40.834%0.34223%0.225SC..  trans-92.5114.8179.7-170.627.8000110.8R202R202-N207 WeakPolarHBondContact O-CB 3.43Å; R202-N207 PolarHBondContact O-N 3.17Å
208I91.4Very high87.9Confident89 Ų8944.9 Ų44.946%0.45625%0.247SC..  trans-98.1122.7170.2-61.5173000107.2W101 E117W101-I208 HydrophobicContact CH2-CG1 4.12Å; W101-I208 HydrophobicContact CH2-CG2 3.9Å; W101-I208 HydrophobicContact CZ2-CD1 4.13Å; W101-I208 HydrophobicContact CZ2-CG1 4.17Å; W101-I208 HydrophobicContact CZ2-CG2 3.71Å; E117-I208 HydrophobicContact CB-CG2 4.11Å; E117-I208 HydrophobicContact CG-CG2 4.16Å
209E93.5Very high88.4Confident25 Ų2547 Ų4712%0.11726%0.258CS..EExtended strand (participates in β ladder)trans-104.7135.2177.2-63.6177.6163.400109.4E117 K118 F211 F229 N230E117-E209 CarbonylContact C-O 3.54Å; E117-E209 VanDerWaalsContact CA-O 3.29Å; E117-E209 WeakPolarHBondContact CA-O 3.43Å; K118-E209 WeakPolarHBondContact CE-OE2 3.33Å; K118-E209 PolarHBondContact N-O 3.04Å; K118-E209 IonicContact NZ-OE2 2.65Å; K118-E209 PolarHBondContact NZ-OE2 2.83Å; K118-E209 PolarHBondContact O-N 2.85Å; E209-F211 HydrophobicContact CB-CD2 4.3Å; E209-F211 HydrophobicContact CB-CE2 3.44Å; E209-F211 VanDerWaalsContact CB-CE2 3.44Å; E209-F211 HydrophobicContact CB-CZ 4Å; E209-F211 HydrophobicContact CG-CE2 4.45Å; E209-F211 WeakPolarHBondContact OE2-CE2 3.49Å; E209-F211 WeakPolarHBondContact OE2-CZ 3.3Å; E209-F229 HydrophobicContact CB-CE2 3.99Å; E209-F229 HydrophobicContact CG-CE2 4.07Å; E209-F229 HydrophobicContact CG-CZ 4.29Å; E209-N230 WeakPolarHBondContact CA-OD1 3.11Å
210E97.2Very high88.9Confident57 Ų5746.5 Ų46.527%0.26625%0.254SS..EExtended strand (participates in β ladder)trans-111.4131.5175.7-170.9-169.9-158.600110.1R115 E117 F229 N230R115-E210 WeakPolarHBondContact CD-OE1 3.22Å; R115-E210 HydrophobicContact CG-CG 4.43Å; R115-E210 IonicContact CZ-OE1 3.35Å; R115-E210 IonicContact NE-OE1 3.66Å; R115-E210 IonicContact NH1-OE1 3.45Å; R115-E210 PolarHBondContact NH1-OE1 2.8Å; R115-E210 IonicContact NH1-OE2 2.83Å; R115-E210 PolarHBondContact NH1-OE2 3.19Å; E117-E210 HydrophobicContact CG-CG 4.44Å; E210-F229 CarbonylContact O-C 3.47Å; E210-F229 WeakPolarHBondContact O-CA 3.34Å; E210-N230 PolarHBondContact N-OD1 2.84Å; E210-N230 PolarHBondContact O-N 2.82Å
211F98Very high89.6Confident0 Ų048.8 Ų48.80%027%0.267CS..EExtended strand (participates in β ladder)trans-122.6138.4179.9-64.9-90.8000110.8R115 H116 K118 E209 L213 I226 F229 E250 P269R115-F211 CarbonylContact C-O 3.51Å; R115-F211 WeakPolarHBondContact CA-O 3.45Å; H116-F211 AromaticContact CE1-CD2 3.83Å; H116-F211 PolarHBondContact N-O 3.33Å; H116-F211 PolarHBondContact O-N 3.26Å; K118-F211 HydrophobicContact CB-CD2 4.35Å; K118-F211 HydrophobicContact CB-CE2 4.12Å; K118-F211 HydrophobicContact CD-CE2 4.15Å; K118-F211 VanDerWaalsContact NZ-CE2 3.33Å; K118-F211 VanDerWaalsContact NZ-CZ 3.28Å; E209-F211 HydrophobicContact CB-CD2 4.3Å; E209-F211 HydrophobicContact CB-CE2 3.44Å; E209-F211 VanDerWaalsContact CB-CE2 3.44Å; E209-F211 HydrophobicContact CB-CZ 4Å; E209-F211 HydrophobicContact CG-CE2 4.45Å; E209-F211 WeakPolarHBondContact OE2-CE2 3.49Å; E209-F211 WeakPolarHBondContact OE2-CZ 3.3Å; F211-L213 HydrophobicContact CB-CD2 3.93Å; F211-L213 HydrophobicContact CB-CG 4.24Å; F211-L213 HydrophobicContact CD1-CD2 4.4Å; F211-I226 HydrophobicContact CD1-CD1 3.96Å; F211-I226 HydrophobicContact CD1-CG1 4.26Å; F211-I226 HydrophobicContact CD1-CG2 4.36Å; F211-I226 HydrophobicContact CE1-CD1 3.95Å; F211-F229 AromaticContact CD1-CD2 3.99Å; F211-F229 HydrophobicContact CD1-CD2 3.99Å; F211-F229 AromaticContact CE1-CD2 3.47Å; F211-F229 HydrophobicContact CE1-CD2 3.47Å; F211-F229 VanDerWaalsContact CE1-CD2 3.47Å; F211-F229 AromaticContact CE1-CE2 3.81Å; F211-F229 HydrophobicContact CE1-CE2 3.81Å; F211-F229 HydrophobicContact CE2-CD2 4.44Å; F211-F229 HydrophobicContact CE2-CE2 4.26Å; F211-F229 AromaticContact CZ-CD2 3.73Å; F211-F229 HydrophobicContact CZ-CD2 3.73Å; F211-F229 AromaticContact CZ-CE2 3.56Å; F211-F229 HydrophobicContact CZ-CE2 3.56Å; F211-E250 HydrophobicContact CD1-CG 3.98Å; F211-E250 HydrophobicContact CE1-CG 3.77Å; F211-E250 WeakPolarHBondContact CE1-OE1 3.44Å; F211-E250 VanDerWaalsContact CE2-OE1 3.32Å; F211-E250 WeakPolarHBondContact CE2-OE1 3.14Å; F211-E250 HydrophobicContact CZ-CG 4.36Å; F211-E250 WeakPolarHBondContact CZ-OE1 3.34Å; F211-P269 HydrophobicContact CZ-CG 4.25Å
212L98.5Very high90.9Very high24 Ų2448.8 Ų48.813%0.12626%0.26CS..EExtended strand (participates in β ladder)trans-112.6114.5160.8-178.371.4000108R115 V227 E228R115-L212 HydrophobicContact CB-CD1 3.91Å; L212-V227 HydrophobicContact CB-CB 4.45Å; L212-V227 HydrophobicContact CD2-CB 3.95Å; L212-V227 HydrophobicContact CD2-CG1 3.93Å; L212-V227 HydrophobicContact CG-CB 4.14Å; L212-V227 WeakPolarHBondContact O-CB 3.27Å; L212-V227 PolarHBondContact O-N 2.73Å; L212-E228 HydrophobicContact CB-CB 3.83Å; L212-E228 HydrophobicContact CB-CG 4.43Å; L212-E228 HydrophobicContact CD2-CB 4.33Å; L212-E228 HydrophobicContact CD2-CG 4.01Å; L212-E228 PolarHBondContact N-O 2.88Å; L212-E228 PolarHBondContact O-N 2.86Å
213L98.3Very high92.2Very high0 Ų044.2 Ų44.20%024%0.243CC..EExtended strand (participates in β ladder)trans-110149.8-175.4-52.1-176.1000111.2L46 Y56 Y113 L114 F211 D225 I226L46-L213 HydrophobicContact CD2-CD1 4.41Å; Y56-L213 HydrophobicContact CE1-CD1 4.45Å; Y113-L213 CarbonylContact C-O 3.5Å; Y113-L213 VanDerWaalsContact CA-O 3.24Å; Y113-L213 WeakPolarHBondContact CA-O 3.33Å; L114-L213 PolarHBondContact N-O 2.84Å; L114-L213 PolarHBondContact O-N 3.21Å; F211-L213 HydrophobicContact CB-CD2 3.93Å; F211-L213 HydrophobicContact CB-CG 4.24Å; F211-L213 HydrophobicContact CD1-CD2 4.4Å; L213-D225 CarbonylContact C-O 3.51Å; L213-D225 WeakPolarHBondContact CA-O 3.33Å; L213-I226 HydrophobicContact CD2-CB 4.27Å; L213-I226 HydrophobicContact CD2-CG1 3.65Å
214K98.5Very high93.4Very high63 Ų6341.5 Ų41.527%0.27423%0.231SC..EExtended strand (participates in β ladder)trans-74.9138.1164.5-68.4-179.5-1751710110.5Y113 G216 E222 G224 D225 V227Y113-K214 HydrophobicContact CD1-CG 4.42Å; Y113-K214 HydrophobicContact CE1-CG 4.17Å; K214-G216 VanDerWaalsContact C-N 3.33Å; K214-G216 PolarHBondContact O-N 3.24Å; K214-E222 VanDerWaalsContact CB-O 3.3Å; K214-E222 WeakPolarHBondContact CB-O 3.45Å; K214-E222 HydrophobicContact CD-CB 3.87Å; K214-E222 WeakPolarHBondContact CD-OE2 3.31Å; K214-E222 IonicContact NZ-OE2 3.43Å; K214-E222 PolarHBondContact NZ-OE2 2.91Å; K214-G224 PolarHBondContact O-N 2.89Å; K214-D225 HydrophobicContact CD-CB 4.18Å; K214-D225 PolarHBondContact N-O 3.26Å; K214-V227 HydrophobicContact CD-CG2 4.44Å; K214-V227 HydrophobicContact CG-CG2 3.59Å
215T98Very high94.4Very high0 Ų040 Ų400%022%0.222CC..  trans-82.6-11.6-178.6600000114.2L46 P111 K112 L114 V217L46-T215 PolarHBondContact N-O 2.86Å; L46-T215 VanDerWaalsContact O-CB 3.31Å; L46-T215 WeakPolarHBondContact O-CB 3.42Å; L46-T215 WeakPolarHBondContact O-CG2 3.41Å; P111-T215 WeakPolarHBondContact O-CB 3.26Å; P111-T215 WeakPolarHBondContact O-CG2 3.3Å; P111-T215 PolarHBondContact O-OG1 3.41Å; K112-T215 VanDerWaalsContact C-OG1 3.31Å; K112-T215 WeakPolarHBondContact CA-OG1 3.34Å; K112-T215 PolarHBondContact O-N 2.86Å; K112-T215 PolarHBondContact O-OG1 2.94Å; K112-T215 VanDerWaalsContact O-OG1 3.1Å; L114-T215 HydrophobicContact CB-CG2 4.19Å; T215-V217 VanDerWaalsContact OG1-CG2 3.32Å; T215-V217 WeakPolarHBondContact OG1-CG2 3.17Å
216G97.6Very high95.4Very high5 Ų539.1 Ų39.15%0.05221%0.211CC..SBendtrans87.34-174.900000114.8L45 K214 N219 I220L45-G216 VanDerWaalsContact CD2-C 3.48Å; L45-G216 WeakPolarHBondContact CD2-O 3.3Å; K214-G216 VanDerWaalsContact C-N 3.33Å; K214-G216 PolarHBondContact O-N 3.24Å; G216-N219 WeakPolarHBondContact CA-O 3.45Å; G216-N219 CarbonylContact O-C 3.55Å; G216-N219 VanDerWaalsContact O-C 3.26Å; G216-I220 WeakPolarHBondContact O-CA 3.07Å; G216-I220 PolarHBondContact O-N 2.76Å
217V96.9Very high96.4Very high42 Ų4236.3 Ų36.326%0.25519%0.189SC..SBendtrans-59.8-48.8179.3163.60000112.1L45 T47 P110 P111 K112 T215L45-V217 HydrophobicContact CD1-CG2 4.17Å; L45-V217 HydrophobicContact CD2-CG2 4.3Å; T47-V217 HydrophobicContact CG2-CG2 4.08Å; P110-V217 HydrophobicContact CB-CG2 3.88Å; P110-V217 HydrophobicContact CG-CB 4.41Å; P110-V217 HydrophobicContact CG-CG1 3.74Å; P110-V217 HydrophobicContact CG-CG2 3.69Å; P111-V217 WeakPolarHBondContact O-CG2 3.16Å; K112-V217 HydrophobicContact CG-CG1 4.45Å; T215-V217 VanDerWaalsContact OG1-CG2 3.32Å; T215-V217 WeakPolarHBondContact OG1-CG2 3.17Å
218D96.1Very high97.1Very high108 Ų10835 Ų3558%0.57818%0.181SC*.SBendtrans-75.4-41.1-179.2-71.9-26000111.2K112K112-D218 WeakPolarHBondContact CD-OD2 3.3Å; K112-D218 VanDerWaalsContact CE-OD1 3.29Å; K112-D218 WeakPolarHBondContact CE-OD1 3.27Å; K112-D218 WeakPolarHBondContact CE-OD2 3.45Å; K112-D218 IonicContact NZ-OD1 2.87Å; K112-D218 PolarHBondContact NZ-OD1 2.92Å; K112-D218 IonicContact NZ-OD2 3.01Å; K112-D218 PolarHBondContact NZ-OD2 2.65Å
219N96.7Very high97.4Very high58 Ų5831.7 Ų31.731%0.3116%0.163SC..  trans-147115.6176.6-177.31.2000110G216 N221 E222G216-N219 WeakPolarHBondContact CA-O 3.45Å; G216-N219 CarbonylContact O-C 3.55Å; G216-N219 VanDerWaalsContact O-C 3.26Å; N219-N221 PolarHBondContact O-N 2.96Å; N219-N221 VanDerWaalsContact O-N 3.16Å; N219-N221 WeakPolarHBondContact OD1-CB 3.48Å; N219-N221 PolarHBondContact OD1-N 2.91Å; N219-N221 VanDerWaalsContact OD1-N 3.1Å; N219-E222 HydrophobicContact CB-CB 4.34Å; N219-E222 HydrophobicContact CB-CG 4.06Å; N219-E222 PolarHBondContact ND2-OE1 3.17Å; N219-E222 PolarHBondContact O-N 3.46Å
220I96.2Very high97.4Very high13 Ų1333.6 Ų33.67%0.06718%0.175CC..G310 helixtrans-61.8-26-178.6-169.662.1000112.9K41 L44 L45 G216 E222 R223 F256K41-I220 HydrophobicContact CD-CG2 4.16Å; K41-I220 HydrophobicContact CG-CG1 4.38Å; K41-I220 HydrophobicContact CG-CG2 4.29Å; L44-I220 HydrophobicContact CB-CD1 4Å; L45-I220 HydrophobicContact CD2-CD1 4.13Å; G216-I220 WeakPolarHBondContact O-CA 3.07Å; G216-I220 PolarHBondContact O-N 2.76Å; I220-E222 PolarHBondContact O-N 3.31Å; I220-R223 HydrophobicContact CD1-CB 4.42Å; I220-R223 WeakPolarHBondContact O-CB 3.49Å; I220-R223 PolarHBondContact O-N 3.15Å; I220-F256 HydrophobicContact CG1-CB 4.15Å; I220-F256 HydrophobicContact CG1-CD2 4.2Å; I220-F256 HydrophobicContact CG1-CG 4.22Å; I220-F256 HydrophobicContact CG2-CB 3.89Å; I220-F256 HydrophobicContact CG2-CD1 4.08Å; I220-F256 HydrophobicContact CG2-CG 3.94Å
221N96.2Very high97.4Very high66 Ų6633 Ų3335%0.35318%0.184SC..G310 helixtrans-71-17.4176.9-71.6-63.2000113.3N219 F256N219-N221 PolarHBondContact O-N 2.96Å; N219-N221 VanDerWaalsContact O-N 3.16Å; N219-N221 WeakPolarHBondContact OD1-CB 3.48Å; N219-N221 PolarHBondContact OD1-N 2.91Å; N219-N221 VanDerWaalsContact OD1-N 3.1Å; N221-F256 PolarHBondContact OD1-N 3.22Å; N221-F256 PolarHBondContact OD1-O 2.91Å
222E97.2Very high97.4Very high62 Ų6239.1 Ų39.129%0.2921%0.207SC..G310 helixtrans-100.69.6178.5-62172.1-152.300111.7K214 N219 I220 G224 D225K214-E222 VanDerWaalsContact CB-O 3.3Å; K214-E222 WeakPolarHBondContact CB-O 3.45Å; K214-E222 HydrophobicContact CD-CB 3.87Å; K214-E222 WeakPolarHBondContact CD-OE2 3.31Å; K214-E222 IonicContact NZ-OE2 3.43Å; K214-E222 PolarHBondContact NZ-OE2 2.91Å; N219-E222 HydrophobicContact CB-CB 4.34Å; N219-E222 HydrophobicContact CB-CG 4.06Å; N219-E222 PolarHBondContact ND2-OE1 3.17Å; N219-E222 PolarHBondContact O-N 3.46Å; I220-E222 PolarHBondContact O-N 3.31Å; E222-G224 PolarHBondContact O-N 2.96Å; E222-D225 VanDerWaalsContact CA-OD2 3.26Å; E222-D225 WeakPolarHBondContact CA-OD2 3.38Å; E222-D225 HydrophobicContact CB-CB 4.49Å; E222-D225 WeakPolarHBondContact CB-OD2 3.15Å; E222-D225 VanDerWaalsContact O-CB 3.29Å; E222-D225 WeakPolarHBondContact O-CB 3.21Å; E222-D225 PolarHBondContact O-N 3.05Å; E222-D225 VanDerWaalsContact O-N 3.07Å
223R97.5Very high97.3Very high1 Ų144.9 Ų44.90%0.00423%0.231CC..THydrogen-bonded Turntrans-61.3126.7178178.9-170.963.1-170.9-7.8109.8L44 L46 I220 D225 F253 T383L44-R223 WeakPolarHBondContact O-CD 3.47Å; L44-R223 PolarHBondContact O-NH1 2.79Å; L46-R223 HydrophobicContact CB-CG 4.29Å; I220-R223 HydrophobicContact CD1-CB 4.42Å; I220-R223 WeakPolarHBondContact O-CB 3.49Å; I220-R223 PolarHBondContact O-N 3.15Å; R223-D225 PolarHBondContact O-N 3.47Å; R223-F253 HydrophobicContact CG-CD1 4.35Å; R223-F253 HydrophobicContact CG-CG 4.48Å; R223-F253 WeakPolarHBondContact O-CB 3.38Å; R223-T383 PolarHBondContact NH2-O 2.64Å
224G97.5Very high97.2Very high1 Ų150.1 Ų50.11%0.0126%0.256CS..THydrogen-bonded Turntrans80.2-0.7-179.300000114K214 E222 I226 S249K214-G224 PolarHBondContact O-N 2.89Å; E222-G224 PolarHBondContact O-N 2.96Å; G224-I226 PolarHBondContact O-N 3.5Å; G224-S249 VanDerWaalsContact O-CA 3.27Å; G224-S249 WeakPolarHBondContact O-CA 3.44Å; G224-S249 WeakPolarHBondContact O-CB 3.49Å
225D98.3Very high97Very high36 Ų3647.6 Ų47.619%0.19325%0.245CC..BIsolated β-bridgetrans-61.4136.2173.2-76.9-7000110.1L213 K214 E222 R223 G248L213-D225 CarbonylContact C-O 3.51Å; L213-D225 WeakPolarHBondContact CA-O 3.33Å; K214-D225 HydrophobicContact CD-CB 4.18Å; K214-D225 PolarHBondContact N-O 3.26Å; E222-D225 VanDerWaalsContact CA-OD2 3.26Å; E222-D225 WeakPolarHBondContact CA-OD2 3.38Å; E222-D225 HydrophobicContact CB-CB 4.49Å; E222-D225 WeakPolarHBondContact CB-OD2 3.15Å; E222-D225 VanDerWaalsContact O-CB 3.29Å; E222-D225 WeakPolarHBondContact O-CB 3.21Å; E222-D225 PolarHBondContact O-N 3.05Å; E222-D225 VanDerWaalsContact O-N 3.07Å; R223-D225 PolarHBondContact O-N 3.47Å; D225-G248 WeakPolarHBondContact CA-O 3.27Å
226I98.5Very high96.7Very high12 Ų1252 Ų526%0.06227%0.268CS..EExtended strand (participates in β ladder)trans-81.2124.5-177.8-54.9171.6000109F211 L213 G224 E228 F229 I246 G248 E250 F267F211-I226 HydrophobicContact CD1-CD1 3.96Å; F211-I226 HydrophobicContact CD1-CG1 4.26Å; F211-I226 HydrophobicContact CD1-CG2 4.36Å; F211-I226 HydrophobicContact CE1-CD1 3.95Å; L213-I226 HydrophobicContact CD2-CB 4.27Å; L213-I226 HydrophobicContact CD2-CG1 3.65Å; G224-I226 PolarHBondContact O-N 3.5Å; I226-E228 WeakPolarHBondContact CG2-O 3.32Å; I226-F229 HydrophobicContact CG2-CB 4.31Å; I226-I246 HydrophobicContact CB-CG2 3.77Å; I226-I246 HydrophobicContact CD1-CG2 4.41Å; I226-I246 HydrophobicContact CG2-CG2 3.67Å; I226-G248 PolarHBondContact N-O 2.73Å; I226-E250 HydrophobicContact CD1-CG 3.82Å; I226-E250 HydrophobicContact CG1-CG 4.27Å; I226-F267 HydrophobicContact CD1-CB 3.63Å; I226-F267 HydrophobicContact CD1-CD1 3.48Å; I226-F267 VanDerWaalsContact CD1-CD1 3.48Å; I226-F267 HydrophobicContact CD1-CG 3.94Å
227V98.2Very high96.4Very high37 Ų3753.7 Ų53.722%0.22428%0.275CS..EExtended strand (participates in β ladder)trans-93.8-42.1173.2-175.70000110.3Y113 L212 K214Y113-V227 HydrophobicContact CD1-CG2 4Å; Y113-V227 HydrophobicContact CE1-CG2 3.87Å; L212-V227 HydrophobicContact CB-CB 4.45Å; L212-V227 HydrophobicContact CD2-CB 3.95Å; L212-V227 HydrophobicContact CD2-CG1 3.93Å; L212-V227 HydrophobicContact CG-CB 4.14Å; L212-V227 WeakPolarHBondContact O-CB 3.27Å; L212-V227 PolarHBondContact O-N 2.73Å; K214-V227 HydrophobicContact CD-CG2 4.44Å; K214-V227 HydrophobicContact CG-CG2 3.59Å
228E98.2Very high96.1Very high35 Ų3552.2 Ų52.216%0.16427%0.265CS..EExtended strand (participates in β ladder)trans-137.1139.4175.4-63.8173.7-177.800110.7R115 L212 I226 R232 K233R115-E228 IonicContact CZ-OE2 3.94Å; R115-E228 IonicContact NH1-OE2 2.85Å; R115-E228 IonicContact NH2-OE2 2.71Å; R115-E228 PolarHBondContact NH2-OE2 2.81Å; L212-E228 HydrophobicContact CB-CB 3.83Å; L212-E228 HydrophobicContact CB-CG 4.43Å; L212-E228 HydrophobicContact CD2-CB 4.33Å; L212-E228 HydrophobicContact CD2-CG 4.01Å; L212-E228 PolarHBondContact N-O 2.88Å; L212-E228 PolarHBondContact O-N 2.86Å; I226-E228 WeakPolarHBondContact CG2-O 3.32Å; E228-R232 CarbonylContact C-O 3.51Å; E228-R232 WeakPolarHBondContact CA-O 3.33Å; E228-K233 HydrophobicContact CG-CG 3.69Å; E228-K233 WeakPolarHBondContact OE1-CE 3.46Å
229F97.5Very high95.8Very high20 Ų2053.4 Ų53.49%0.08827%0.271CS..EExtended strand (participates in β ladder)trans-120.5124.1168.8176.2-114.5000108.5E209 E210 F211 I226 G231 R232 L235 I246 F267 P269E209-F229 HydrophobicContact CB-CE2 3.99Å; E209-F229 HydrophobicContact CG-CE2 4.07Å; E209-F229 HydrophobicContact CG-CZ 4.29Å; E210-F229 CarbonylContact O-C 3.47Å; E210-F229 WeakPolarHBondContact O-CA 3.34Å; F211-F229 AromaticContact CD1-CD2 3.99Å; F211-F229 HydrophobicContact CD1-CD2 3.99Å; F211-F229 AromaticContact CE1-CD2 3.47Å; F211-F229 HydrophobicContact CE1-CD2 3.47Å; F211-F229 VanDerWaalsContact CE1-CD2 3.47Å; F211-F229 AromaticContact CE1-CE2 3.81Å; F211-F229 HydrophobicContact CE1-CE2 3.81Å; F211-F229 HydrophobicContact CE2-CD2 4.44Å; F211-F229 HydrophobicContact CE2-CE2 4.26Å; F211-F229 AromaticContact CZ-CD2 3.73Å; F211-F229 HydrophobicContact CZ-CD2 3.73Å; F211-F229 AromaticContact CZ-CE2 3.56Å; F211-F229 HydrophobicContact CZ-CE2 3.56Å; I226-F229 HydrophobicContact CG2-CB 4.31Å; F229-G231 VanDerWaalsContact C-N 3.26Å; F229-G231 PolarHBondContact O-N 2.86Å; F229-R232 PolarHBondContact N-O 2.97Å; F229-R232 WeakPolarHBondContact O-CB 3.45Å; F229-R232 PolarHBondContact O-N 2.8Å; F229-L235 HydrophobicContact CD1-CD2 4.37Å; F229-I246 HydrophobicContact CB-CD1 3.85Å; F229-F267 HydrophobicContact CB-CE1 4.11Å; F229-F267 AromaticContact CD1-CE1 3.76Å; F229-F267 HydrophobicContact CD1-CE1 3.76Å; F229-F267 AromaticContact CD1-CZ 3.9Å; F229-F267 HydrophobicContact CD1-CZ 3.9Å; F229-F267 AromaticContact CD2-CE1 3.99Å; F229-F267 HydrophobicContact CD2-CE1 3.99Å; F229-F267 HydrophobicContact CE1-CE1 4.14Å; F229-F267 HydrophobicContact CE1-CZ 4.25Å; F229-F267 HydrophobicContact CE2-CE1 4.34Å; F229-F267 AromaticContact CG-CE1 3.68Å; F229-F267 HydrophobicContact CG-CE1 3.68Å; F229-F267 HydrophobicContact CG-CZ 4.25Å; F229-F267 HydrophobicContact CZ-CE1 4.42Å; F229-P269 HydrophobicContact CE1-CB 4.43Å; F229-P269 HydrophobicContact CE2-CB 4.15Å; F229-P269 HydrophobicContact CE2-CG 4.03Å; F229-P269 HydrophobicContact CZ-CB 3.74Å; F229-P269 HydrophobicContact CZ-CG 4.12Å
230N95.4Very high95.4Very high66 Ų6651.7 Ų51.735%0.35326%0.264SS..THydrogen-bonded Turntrans49.646-176.4-67.7-16.3000112.9E209 E210 R232E209-N230 WeakPolarHBondContact CA-OD1 3.11Å; E210-N230 PolarHBondContact N-OD1 2.84Å; E210-N230 PolarHBondContact O-N 2.82Å; N230-R232 PolarHBondContact O-N 2.77Å
231G96.4Very high95.2Very high45 Ų4558.9 Ų58.946%0.46430%0.295SS..THydrogen-bonded Turntrans69.910.7-179.300000115.5F229F229-G231 VanDerWaalsContact C-N 3.26Å; F229-G231 PolarHBondContact O-N 2.86Å
232R97Very high94.9Very high127 Ų12758.8 Ų58.848%0.47929%0.29SS..BIsolated β-bridgetrans-118.1139.6-178.3-59.2176.7179.6-127.40.2111.5E228 F229 N230 E234 N236E228-R232 CarbonylContact C-O 3.51Å; E228-R232 WeakPolarHBondContact CA-O 3.33Å; F229-R232 PolarHBondContact N-O 2.97Å; F229-R232 WeakPolarHBondContact O-CB 3.45Å; F229-R232 PolarHBondContact O-N 2.8Å; N230-R232 PolarHBondContact O-N 2.77Å; R232-E234 WeakPolarHBondContact CB-O 3.11Å; R232-N236 PolarHBondContact NH1-ND2 3.5Å; R232-N236 PolarHBondContact NH1-OD1 3.47Å
233K97.2Very high94.5Very high146 Ų14655.9 Ų55.964%0.63528%0.276SS*.SBendtrans-86.5-17.2174.9-65.5-178.3179.3-179.30113.5E228E228-K233 HydrophobicContact CG-CG 3.69Å; E228-K233 WeakPolarHBondContact OE1-CE 3.46Å
234E95.8Very high94.4Very high110 Ų11056.6 Ų56.651%0.51428%0.28SS..BIsolated β-bridgetrans-145154.2176.562.9-176.4-171.900109.3R232 N244R232-E234 WeakPolarHBondContact CB-O 3.11Å; E234-N244 WeakPolarHBondContact CA-O 3.35Å
235L94.2Very high94.2Very high9 Ų960.2 Ų60.25%0.04730%0.298CS..  trans-78.4168.6175.4-60.3173.9000110.1F229 N244 I246 F267 C272F229-L235 HydrophobicContact CD1-CD2 4.37Å; L235-N244 VanDerWaalsContact C-OD1 3.22Å; L235-N244 HydrophobicContact CB-CB 3.94Å; L235-N244 WeakPolarHBondContact CB-O 3.35Å; L235-N244 WeakPolarHBondContact CB-OD1 3.26Å; L235-N244 PolarHBondContact N-O 3.12Å; L235-N244 VanDerWaalsContact O-CB 3.27Å; L235-N244 WeakPolarHBondContact O-CB 3.49Å; L235-N244 PolarHBondContact O-OD1 2.7Å; L235-I246 HydrophobicContact CD1-CG1 4.44Å; L235-I246 HydrophobicContact CD2-CD1 4.27Å; L235-I246 HydrophobicContact CD2-CG1 4.22Å; L235-I246 HydrophobicContact CG-CD1 4.39Å; L235-I246 HydrophobicContact CG-CG1 3.91Å; L235-F267 HydrophobicContact CD1-CE2 3.7Å; L235-F267 HydrophobicContact CD1-CZ 4.22Å; L235-F267 HydrophobicContact CD2-CE2 4.38Å; L235-F267 HydrophobicContact CD2-CZ 4.07Å; L235-F267 HydrophobicContact CG-CE2 4.48Å; L235-C272 HydrophobicContact CD1-CB 4.5Å; L235-C272 WeakPolarHBondContact CD1-O 3.42Å
236N92.6Very high94.1Very high92 Ų9259.2 Ų59.249%0.49229%0.292SS..SBendtrans-135.822.7174.868.8-24.3000111.9R232 N244R232-N236 PolarHBondContact NH1-ND2 3.5Å; R232-N236 PolarHBondContact NH1-OD1 3.47Å; N236-N244 PolarHBondContact N-OD1 2.92Å
237Q90.1Very high93.9Very high42 Ų4260.6 Ų60.620%0.19630%0.3CS..SBendtrans-85.4-38.7-176.8-77.676.65.300110.8N244 C272 Q316 P334 K337Q237-N244 PolarHBondContact N-OD1 3.28Å; Q237-N244 VanDerWaalsContact N-OD1 3.07Å; Q237-C272 HydrophobicContact CB-CB 4.21Å; Q237-C272 HydrophobicContact CG-CB 3.92Å; Q237-Q316 PolarHBondContact O-NE2 2.95Å; Q237-Q316 PolarHBondContact O-OE1 3.17Å; Q237-P334 WeakPolarHBondContact CB-O 3.42Å; Q237-P334 VanDerWaalsContact CG-O 3.28Å; Q237-P334 WeakPolarHBondContact CG-O 3.46Å; Q237-K337 WeakPolarHBondContact O-CE 3.29Å; Q237-K337 PolarHBondContact O-NZ 2.87Å
238W90.5Very high93.7Very high10 Ų1059.5 Ų59.54%0.03830%0.296CS..SBendtrans-95.5162.4-175.9-54.795.8000112.5S240 A243 N244 C272 R273 F314 Q316 P334W238-S240 VanDerWaalsContact C-N 3.33Å; W238-A243 HydrophobicContact CB-CB 3.45Å; W238-A243 VanDerWaalsContact CB-CB 3.45Å; W238-A243 HydrophobicContact CD2-CB 4.22Å; W238-A243 HydrophobicContact CG-CB 3.63Å; W238-N244 PolarHBondContact N-OD1 2.82Å; W238-N244 PolarHBondContact O-ND2 3.37Å; W238-C272 PolarHBondContact NE1-O 3.21Å; W238-R273 HydrophobicContact CZ2-CB 4.42Å; W238-R273 HydrophobicContact CZ2-CG 4.36Å; W238-F314 AromaticContact CD2-CD1 3.99Å; W238-F314 HydrophobicContact CD2-CD1 3.99Å; W238-F314 HydrophobicContact CE3-CB 4.29Å; W238-F314 HydrophobicContact CE3-CD1 4.09Å; W238-F314 HydrophobicContact CH2-CB 4.43Å; W238-F314 HydrophobicContact CH2-CD1 4.28Å; W238-F314 HydrophobicContact CZ2-CD1 4.17Å; W238-F314 HydrophobicContact CZ3-CB 3.97Å; W238-F314 HydrophobicContact CZ3-CD1 4.21Å; W238-F314 WeakPolarHBondContact CZ3-O 3.15Å; W238-Q316 VanDerWaalsContact C-OE1 3.3Å; W238-Q316 HydrophobicContact CE3-CB 4.44Å; W238-P334 HydrophobicContact CD2-CB 4.17Å; W238-P334 HydrophobicContact CE3-CB 4Å; W238-P334 HydrophobicContact CE3-CG 3.95Å; W238-P334 HydrophobicContact CH2-CB 4.01Å; W238-P334 HydrophobicContact CH2-CG 3.73Å; W238-P334 HydrophobicContact CZ2-CB 4.18Å; W238-P334 HydrophobicContact CZ2-CG 4.39Å; W238-P334 HydrophobicContact CZ3-CB 3.93Å; W238-P334 HydrophobicContact CZ3-CG 3.49Å; W238-P334 VanDerWaalsContact CZ3-CG 3.49Å
239N89.8Confident93.6Very high133 Ų13357.9 Ų57.971%0.71129%0.289SS*.SBendtrans-82.7-9.6179.4-73.4-19.7000113.9Q316N239-Q316 VanDerWaalsContact CG-OE1 3.24Å; N239-Q316 PolarHBondContact OD1-OE1 2.85Å
240S89.9Confident93.5Very high23 Ų2359 Ų5916%0.16129%0.294CS..SBendtrans-115.8156.8-17898.20000112.1W238 Y242 A243 N244 E313W238-S240 VanDerWaalsContact C-N 3.33Å; S240-Y242 PolarHBondContact OG-N 2.88Å; S240-A243 VanDerWaalsContact OG-CB 3.31Å; S240-A243 WeakPolarHBondContact OG-CB 3.32Å; S240-A243 PolarHBondContact OG-N 2.75Å; S240-N244 WeakPolarHBondContact O-CB 2.88Å; S240-N244 PolarHBondContact O-N 3Å; S240-N244 PolarHBondContact O-ND2 2.8Å; S240-E313 WeakPolarHBondContact CB-OE2 3.48Å; S240-E313 WeakPolarHBondContact OG-CB 3.13Å; S240-E313 PolarHBondContact OG-OE2 2.82Å
241K91.5Very high93.5Very high163 Ų16356.2 Ų56.271%0.70928%0.281SS*.THydrogen-bonded Turntrans-67.3-42.8175.3-173.4176.2-179.41790111.8N244 M245K241-N244 CarbonylContact O-C 3.59Å; K241-N244 PolarHBondContact O-N 2.83Å; K241-M245 WeakPolarHBondContact O-CG 3.34Å; K241-M245 PolarHBondContact O-N 3.31Å
242Y89.3Confident93.4Very high65 Ų6555.8 Ų55.826%0.25527%0.273SS..THydrogen-bonded Turntrans-66.7-42.9-177.9170-81.3000111.8S240 N244 M245 S310 E313 F314S240-Y242 PolarHBondContact OG-N 2.88Å; Y242-N244 PolarHBondContact O-N 3.11Å; Y242-M245 HydrophobicContact CD2-SD 4.02Å; Y242-M245 VanDerWaalsContact O-CB 3.32Å; Y242-M245 WeakPolarHBondContact O-CB 3.5Å; Y242-M245 PolarHBondContact O-N 3.2Å; Y242-S310 WeakPolarHBondContact CE1-OG 3.34Å; Y242-S310 PolarHBondContact OH-OG 3.03Å; Y242-E313 VanDerWaalsContact CB-OE2 3.29Å; Y242-E313 WeakPolarHBondContact CB-OE2 3.19Å; Y242-F314 HydrophobicContact CD1-CE2 4.38Å; Y242-F314 HydrophobicContact CD1-CZ 4.33Å; Y242-F314 AromaticContact CE1-CE2 3.92Å; Y242-F314 HydrophobicContact CE1-CE2 3.92Å; Y242-F314 HydrophobicContact CE1-CZ 4.01Å
243A90Very high93.4Very high1 Ų150.2 Ų50.21%0.00825%0.253CS..THydrogen-bonded Turntrans-64.8-24.5177.600000112.5W238 S240 E313 F314W238-A243 HydrophobicContact CB-CB 3.45Å; W238-A243 VanDerWaalsContact CB-CB 3.45Å; W238-A243 HydrophobicContact CD2-CB 4.22Å; W238-A243 HydrophobicContact CG-CB 3.63Å; S240-A243 VanDerWaalsContact OG-CB 3.31Å; S240-A243 WeakPolarHBondContact OG-CB 3.32Å; S240-A243 PolarHBondContact OG-N 2.75Å; A243-E313 HydrophobicContact CB-CB 4.34Å; A243-F314 VanDerWaalsContact CA-CE1 3.46Å; A243-F314 HydrophobicContact CB-CD1 3.55Å; A243-F314 HydrophobicContact CB-CE1 3.42Å; A243-F314 VanDerWaalsContact CB-CE1 3.42Å; A243-F314 HydrophobicContact CB-CG 4.27Å; A243-F314 HydrophobicContact CB-CZ 4.05Å
244N93.9Very high93.4Very high15 Ų1543.4 Ų43.48%0.0822%0.223CC..THydrogen-bonded Turntrans-88.70.1174.2-76.3-47.2000114.6E234 L235 N236 Q237 W238 S240 K241 Y242E234-N244 WeakPolarHBondContact CA-O 3.35Å; L235-N244 VanDerWaalsContact C-OD1 3.22Å; L235-N244 HydrophobicContact CB-CB 3.94Å; L235-N244 WeakPolarHBondContact CB-O 3.35Å; L235-N244 WeakPolarHBondContact CB-OD1 3.26Å; L235-N244 PolarHBondContact N-O 3.12Å; L235-N244 VanDerWaalsContact O-CB 3.27Å; L235-N244 WeakPolarHBondContact O-CB 3.49Å; L235-N244 PolarHBondContact O-OD1 2.7Å; N236-N244 PolarHBondContact N-OD1 2.92Å; Q237-N244 PolarHBondContact N-OD1 3.28Å; Q237-N244 VanDerWaalsContact N-OD1 3.07Å; W238-N244 PolarHBondContact N-OD1 2.82Å; W238-N244 PolarHBondContact O-ND2 3.37Å; S240-N244 WeakPolarHBondContact O-CB 2.88Å; S240-N244 PolarHBondContact O-N 3Å; S240-N244 PolarHBondContact O-ND2 2.8Å; K241-N244 CarbonylContact O-C 3.59Å; K241-N244 PolarHBondContact O-N 2.83Å; Y242-N244 PolarHBondContact O-N 3.11Å
245M94.2Very high93.4Very high77 Ų7738.2 Ų38.238%0.37920%0.199SC..BIsolated β-bridgetrans-69.1138.8175.4-70.2174.972.200111K241 Y242 N247K241-M245 WeakPolarHBondContact O-CG 3.34Å; K241-M245 PolarHBondContact O-N 3.31Å; Y242-M245 HydrophobicContact CD2-SD 4.02Å; Y242-M245 VanDerWaalsContact O-CB 3.32Å; Y242-M245 WeakPolarHBondContact O-CB 3.5Å; Y242-M245 PolarHBondContact O-N 3.2Å; M245-N247 WeakPolarHBondContact CE-OD1 3.29Å
246I95.6Very high93.5Very high16 Ų1638.3 Ų38.38%0.08220%0.199CC..  trans-96.398.2169.7-57.9169.2000106.8I226 F229 L235 F267I226-I246 HydrophobicContact CB-CG2 3.77Å; I226-I246 HydrophobicContact CD1-CG2 4.41Å; I226-I246 HydrophobicContact CG2-CG2 3.67Å; F229-I246 HydrophobicContact CB-CD1 3.85Å; L235-I246 HydrophobicContact CD1-CG1 4.44Å; L235-I246 HydrophobicContact CD2-CD1 4.27Å; L235-I246 HydrophobicContact CD2-CG1 4.22Å; L235-I246 HydrophobicContact CG-CD1 4.39Å; L235-I246 HydrophobicContact CG-CG1 3.91Å; I246-F267 HydrophobicContact CG1-CE2 4.39Å; I246-F267 HydrophobicContact CG2-CB 4.34Å; I246-F267 HydrophobicContact CG2-CD1 4.14Å; I246-F267 HydrophobicContact CG2-CD2 4.08Å; I246-F267 HydrophobicContact CG2-CE1 4.49Å; I246-F267 HydrophobicContact CG2-CE2 4.5Å; I246-F267 HydrophobicContact CG2-CG 3.9Å
247N93.9Very high93.7Very high41 Ų4138.8 Ų38.822%0.21920%0.202CC..  trans-111.8135.8-177.5-72.4-31.8000111.7M245 H265 F267 S274M245-N247 WeakPolarHBondContact CE-OD1 3.29Å; N247-H265 HydrophobicContact CB-CB 3.92Å; N247-F267 PolarHBondContact O-N 2.71Å; N247-S274 WeakPolarHBondContact CA-OG 3.42Å; N247-S274 PolarHBondContact N-OG 2.81Å; N247-S274 PolarHBondContact O-OG 2.77Å
248G95.9Very high94Very high14 Ų1437.3 Ų37.314%0.14420%0.195CC..SBendtrans83.5-168.8174.200000114.3D225 I226 H265D225-G248 WeakPolarHBondContact CA-O 3.27Å; I226-G248 PolarHBondContact N-O 2.73Å; G248-H265 WeakPolarHBondContact CA-O 3.23Å
249S96.3Very high94.4Very high1 Ų140.6 Ų40.61%0.00722%0.22CC..BIsolated β-bridgetrans-91.9-179.4179.979.40000112G224 G251 F253 I266 F267G224-S249 VanDerWaalsContact O-CA 3.27Å; G224-S249 WeakPolarHBondContact O-CA 3.44Å; G224-S249 WeakPolarHBondContact O-CB 3.49Å; S249-G251 PolarHBondContact O-N 3.48Å; S249-G251 PolarHBondContact OG-N 2.8Å; S249-F253 WeakPolarHBondContact CB-O 3.35Å; S249-F253 PolarHBondContact OG-O 2.94Å; S249-I266 WeakPolarHBondContact O-CA 3.38Å; S249-F267 PolarHBondContact O-N 3.26Å
250E94.4Very high94.8Very high42 Ų4238.1 Ų38.120%0.19621%0.209CC..SBendtrans-73.87.2168.4-57.5176.992.400113.5Y56 K118 F211 I226Y56-E250 PolarHBondContact OH-OE2 3.03Å; K118-E250 IonicContact NZ-OE1 3.47Å; K118-E250 PolarHBondContact NZ-OE1 3.21Å; F211-E250 HydrophobicContact CD1-CG 3.98Å; F211-E250 HydrophobicContact CE1-CG 3.77Å; F211-E250 WeakPolarHBondContact CE1-OE1 3.44Å; F211-E250 VanDerWaalsContact CE2-OE1 3.32Å; F211-E250 WeakPolarHBondContact CE2-OE1 3.14Å; F211-E250 HydrophobicContact CZ-CG 4.36Å; F211-E250 WeakPolarHBondContact CZ-OE1 3.34Å; I226-E250 HydrophobicContact CD1-CG 3.82Å; I226-E250 HydrophobicContact CG1-CG 4.27Å
251G94.7Very high95Very high9 Ų939 Ų399%0.09322%0.222CC..SBendtrans92.2-4.8-179.700000115.1S249 T386S249-G251 PolarHBondContact O-N 3.48Å; S249-G251 PolarHBondContact OG-N 2.8Å; G251-T386 WeakPolarHBondContact O-CB 3.37Å; G251-T386 PolarHBondContact O-OG1 2.84Å
252A94.7Very high95.2Very high35 Ų3532.6 Ų32.629%0.28920%0.196SC..SBendtrans-74.9-26.7172.400000112.8Y56 T386Y56-A252 HydrophobicContact CE2-CB 4.43Å; A252-T386 PolarHBondContact O-N 3.04Å; A252-T386 VanDerWaalsContact O-N 3.09Å
253F96.7Very high95.4Very high11 Ų1134 Ų345%0.04820%0.201CC..BIsolated β-bridgetrans-128.8119.2-175.4-53-73.8000110.3L46 V52 Y56 R223 S249 L385L46-F253 HydrophobicContact CD1-CZ 3.94Å; L46-F253 HydrophobicContact CD2-CE2 4.23Å; L46-F253 HydrophobicContact CD2-CZ 4.33Å; V52-F253 HydrophobicContact CG1-CE1 3.71Å; V52-F253 HydrophobicContact CG1-CZ 4.28Å; Y56-F253 AromaticContact CD2-CE2 3.68Å; Y56-F253 HydrophobicContact CD2-CE2 3.68Å; Y56-F253 AromaticContact CD2-CZ 3.62Å; Y56-F253 HydrophobicContact CD2-CZ 3.62Å; Y56-F253 AromaticContact CE2-CE2 3.76Å; Y56-F253 HydrophobicContact CE2-CE2 3.76Å; Y56-F253 HydrophobicContact CE2-CZ 4.19Å; Y56-F253 HydrophobicContact CG-CE2 4.38Å; Y56-F253 HydrophobicContact CG-CZ 4.05Å; R223-F253 HydrophobicContact CG-CD1 4.35Å; R223-F253 HydrophobicContact CG-CG 4.48Å; R223-F253 WeakPolarHBondContact O-CB 3.38Å; S249-F253 WeakPolarHBondContact CB-O 3.35Å; S249-F253 PolarHBondContact OG-O 2.94Å; F253-L385 HydrophobicContact CD1-CD2 3.68Å; F253-L385 HydrophobicContact CE1-CD2 3.68Å
254M97.5Very high95.7Very high2 Ų237.1 Ų37.11%0.0121%0.213CC..  trans-113.515.9-171.6-58.2-58.5-72.400112.4L258 R264 I266 M277 F296 L377 V379 G384M254-L258 HydrophobicContact CB-CD1 4.09Å; M254-L258 WeakPolarHBondContact O-CD1 3.43Å; M254-L258 WeakPolarHBondContact O-CD2 3.21Å; M254-R264 HydrophobicContact CE-CB 3.66Å; M254-R264 HydrophobicContact CE-CG 4.31Å; M254-R264 VanDerWaalsContact O-CD 3.23Å; M254-R264 WeakPolarHBondContact O-CD 3.23Å; M254-R264 VanDerWaalsContact O-CG 3.27Å; M254-R264 WeakPolarHBondContact O-CG 3.14Å; M254-R264 PolarHBondContact O-NE 2.65Å; M254-I266 HydrophobicContact CE-CD1 3.73Å; M254-I266 HydrophobicContact CE-CG1 3.92Å; M254-I266 HydrophobicContact SD-CD1 3.82Å; M254-I266 HydrophobicContact SD-CG1 3.94Å; M254-M277 HydrophobicContact CE-CB 4.21Å; M254-F296 HydrophobicContact CE-CD1 3.89Å; M254-F296 HydrophobicContact CE-CE1 4.1Å; M254-F296 HydrophobicContact CE-CG 4.32Å; M254-L377 HydrophobicContact CE-CD1 4.31Å; M254-L377 HydrophobicContact SD-CD1 4.5Å; M254-V379 HydrophobicContact CB-CG1 3.84Å; M254-V379 HydrophobicContact CB-CG2 4.36Å; M254-V379 HydrophobicContact CG-CG1 4.11Å; M254-V379 HydrophobicContact CG-CG2 3.81Å; M254-G384 PolarHBondContact N-O 2.77Å
255G96.3Very high95.7Very high2 Ų239.5 Ų39.52%0.02122%0.223CC..  trans104.6-145.4-178.400000113.1G384G255-G384 WeakPolarHBondContact O-CA 3.23Å
256F96.8Very high95.8Very high10 Ų1036.5 Ų36.54%0.04421%0.209CC..SBendtrans-150147.3-177.2179-96.8000110.2I37 I40 K41 L44 I220 N221 L258 L382I37-F256 HydrophobicContact CG1-CZ 4.48Å; I37-F256 HydrophobicContact CG2-CE1 3.89Å; I37-F256 HydrophobicContact CG2-CZ 3.85Å; I40-F256 HydrophobicContact CG2-CE2 3.82Å; I40-F256 HydrophobicContact CG2-CZ 4.01Å; K41-F256 HydrophobicContact CD-CE1 4.38Å; K41-F256 HydrophobicContact CG-CE1 4.22Å; K41-F256 HydrophobicContact CG-CE2 4.1Å; K41-F256 HydrophobicContact CG-CZ 3.9Å; L44-F256 HydrophobicContact CD1-CD2 3.69Å; L44-F256 HydrophobicContact CD1-CE2 3.59Å; I220-F256 HydrophobicContact CG1-CB 4.15Å; I220-F256 HydrophobicContact CG1-CD2 4.2Å; I220-F256 HydrophobicContact CG1-CG 4.22Å; I220-F256 HydrophobicContact CG2-CB 3.89Å; I220-F256 HydrophobicContact CG2-CD1 4.08Å; I220-F256 HydrophobicContact CG2-CG 3.94Å; N221-F256 PolarHBondContact OD1-N 3.22Å; N221-F256 PolarHBondContact OD1-O 2.91Å; F256-L258 PolarHBondContact O-N 2.88Å; F256-L382 WeakPolarHBondContact CD2-O 3.28Å; F256-L382 HydrophobicContact CE2-CD1 4.17Å; F256-L382 HydrophobicContact CE2-CG 4.48Å; F256-L382 WeakPolarHBondContact CE2-O 3.48Å; F256-L382 HydrophobicContact CZ-CD1 3.92Å
257D95.6Very high95.8Very high103 Ų10335.9 Ų35.955%0.55121%0.205SC*.SBendtrans48.860.3177.1-161.430.3000113.2L382D257-L382 HydrophobicContact CB-CD1 4.35Å; D257-L382 PolarHBondContact N-O 3.38Å
258L97.3Very high95.8Very high11 Ų1136.1 Ų36.16%0.05821%0.208CC..  trans-89.1148.6-172.9-55.5173.9000111.6M254 F256 V262 L294 F296 V379 P381M254-L258 HydrophobicContact CB-CD1 4.09Å; M254-L258 WeakPolarHBondContact O-CD1 3.43Å; M254-L258 WeakPolarHBondContact O-CD2 3.21Å; F256-L258 PolarHBondContact O-N 2.88Å; L258-V262 HydrophobicContact CB-CG1 4.15Å; L258-V262 HydrophobicContact CD2-CG1 4.07Å; L258-V262 HydrophobicContact CD2-CG2 4.44Å; L258-L294 HydrophobicContact CB-CD1 3.6Å; L258-F296 HydrophobicContact CD1-CE2 4.25Å; L258-F296 HydrophobicContact CD1-CZ 4.04Å; L258-V379 HydrophobicContact CD1-CG1 3.86Å; L258-P381 WeakPolarHBondContact CB-O 3.27Å; L258-P381 PolarHBondContact N-O 3.18Å
259S97.4Very high95.5Very high78 Ų7836.7 Ų36.755%0.54521%0.21SC..  trans-131164.6174.358.40000111V262S259-V262 WeakPolarHBondContact O-CB 3.17Å; S259-V262 WeakPolarHBondContact O-CG1 3.48Å; S259-V262 PolarHBondContact O-N 2.83Å
260V98Very high95Very high81 Ų8138.4 Ų38.449%0.49123%0.227SC..THydrogen-bonded Turntrans-56.6138.9172173.80000110.2V262 T280 L294V260-V262 VanDerWaalsContact C-N 3.35Å; V260-T280 VanDerWaalsContact CG1-O 3.29Å; V260-T280 WeakPolarHBondContact CG1-O 3.41Å; V260-L294 HydrophobicContact CG2-CD2 3.75Å
261G95.3Very high94.7Very high42 Ų4237 Ų3743%0.43322%0.221SC..THydrogen-bonded Turntrans88.9-7.5-175.400000114.3A279G261-A279 PolarHBondContact N-O 3.1Å
262V95.6Very high94.6Very high28 Ų2837.1 Ų37.117%0.1722%0.22CC..  trans-70.9140175.581.10000110.8L258 S259 V260 E278 A279 F296L258-V262 HydrophobicContact CB-CG1 4.15Å; L258-V262 HydrophobicContact CD2-CG1 4.07Å; L258-V262 HydrophobicContact CD2-CG2 4.44Å; S259-V262 WeakPolarHBondContact O-CB 3.17Å; S259-V262 WeakPolarHBondContact O-CG1 3.48Å; S259-V262 PolarHBondContact O-N 2.83Å; V260-V262 VanDerWaalsContact C-N 3.35Å; V262-E278 WeakPolarHBondContact O-CA 3.28Å; V262-A279 HydrophobicContact CG1-CB 3.86Å; V262-A279 PolarHBondContact O-N 2.76Å; V262-F296 HydrophobicContact CG1-CE1 4.1Å; V262-F296 HydrophobicContact CG1-CZ 3.74Å
263R94.4Very high94.4Very high96 Ų9636.6 Ų36.636%0.36221%0.211SC..EExtended strand (participates in β ladder)trans-111144.5176-68.7-178.7177165.82.3112.1V276 M277 E278 V301R263-V276 HydrophobicContact CB-CG1 3.92Å; R263-V276 HydrophobicContact CG-CG1 4.18Å; R263-M277 CarbonylContact C-O 3.57Å; R263-M277 VanDerWaalsContact CA-O 3.27Å; R263-M277 WeakPolarHBondContact CA-O 3.18Å; R263-E278 HydrophobicContact CG-CB 4.02Å; R263-E278 HydrophobicContact CG-CG 4.07Å; R263-E278 IonicContact CZ-OE2 2.84Å; R263-E278 VanDerWaalsContact CZ-OE2 3.24Å; R263-E278 IonicContact NE-OE2 3.92Å; R263-E278 PolarHBondContact NE-OE2 3.45Å; R263-E278 IonicContact NH2-OE1 3.75Å; R263-E278 IonicContact NH2-OE2 3.02Å; R263-E278 PolarHBondContact NH2-OE2 2.89Å; R263-V301 VanDerWaalsContact NH2-CG2 3.3Å
264R95.2Very high94.2Very high66 Ų6636.6 Ų36.625%0.24921%0.212CC..EExtended strand (participates in β ladder)trans-140.8142.1179.6-67.5-66179.3-104.96.1110.9M254 M277 F296M254-R264 HydrophobicContact CE-CB 3.66Å; M254-R264 HydrophobicContact CE-CG 4.31Å; M254-R264 VanDerWaalsContact O-CD 3.23Å; M254-R264 WeakPolarHBondContact O-CD 3.23Å; M254-R264 VanDerWaalsContact O-CG 3.27Å; M254-R264 WeakPolarHBondContact O-CG 3.14Å; M254-R264 PolarHBondContact O-NE 2.65Å; R264-M277 PolarHBondContact N-O 2.92Å; R264-M277 PolarHBondContact O-N 2.94Å; R264-F296 HydrophobicContact CB-CE1 4.35Å; R264-F296 HydrophobicContact CG-CE1 4.08Å
265H94.7Very high93.9Very high64 Ų6437.7 Ų37.730%0.29622%0.219SC..EExtended strand (participates in β ladder)trans-83.1142.9171.2-68-80.6000110.4N247 G248 V275 V276N247-H265 HydrophobicContact CB-CB 3.92Å; G248-H265 WeakPolarHBondContact CA-O 3.23Å; H265-V275 CarbonylContact C-O 3.58Å; H265-V275 VanDerWaalsContact CA-O 3.3Å; H265-V275 WeakPolarHBondContact CA-O 3.38Å; H265-V276 VanDerWaalsContact CE1-CG2 3.41Å; H265-V276 WeakPolarHBondContact CE1-CG2 3.27Å
266I96Very high93.7Very high14 Ų1438.1 Ų38.17%0.07222%0.221CC..EExtended strand (participates in β ladder)trans-124.1128.9165.6-62.6-179.1000107.1S249 M254 V268 S274 V275 M277 L377S249-I266 WeakPolarHBondContact O-CA 3.38Å; M254-I266 HydrophobicContact CE-CD1 3.73Å; M254-I266 HydrophobicContact CE-CG1 3.92Å; M254-I266 HydrophobicContact SD-CD1 3.82Å; M254-I266 HydrophobicContact SD-CG1 3.94Å; I266-V268 HydrophobicContact CG2-CG2 4.17Å; I266-S274 CarbonylContact O-C 3.58Å; I266-S274 WeakPolarHBondContact O-CA 3.33Å; I266-V275 HydrophobicContact CB-CG2 4.14Å; I266-V275 PolarHBondContact N-O 2.87Å; I266-V275 PolarHBondContact O-N 2.82Å; I266-M277 HydrophobicContact CD1-CG 3.54Å; I266-M277 HydrophobicContact CG1-CG 4.01Å; I266-L377 HydrophobicContact CD1-CD1 3.35Å
267F95.9Very high93.6Very high3 Ų338 Ų381%0.01322%0.221CC..EExtended strand (participates in β ladder)trans-80.7128.4170.1179.5-116.1000110I226 F229 L235 I246 N247 S249 P269I226-F267 HydrophobicContact CD1-CB 3.63Å; I226-F267 HydrophobicContact CD1-CD1 3.48Å; I226-F267 VanDerWaalsContact CD1-CD1 3.48Å; I226-F267 HydrophobicContact CD1-CG 3.94Å; F229-F267 HydrophobicContact CB-CE1 4.11Å; F229-F267 AromaticContact CD1-CE1 3.76Å; F229-F267 HydrophobicContact CD1-CE1 3.76Å; F229-F267 AromaticContact CD1-CZ 3.9Å; F229-F267 HydrophobicContact CD1-CZ 3.9Å; F229-F267 AromaticContact CD2-CE1 3.99Å; F229-F267 HydrophobicContact CD2-CE1 3.99Å; F229-F267 HydrophobicContact CE1-CE1 4.14Å; F229-F267 HydrophobicContact CE1-CZ 4.25Å; F229-F267 HydrophobicContact CE2-CE1 4.34Å; F229-F267 AromaticContact CG-CE1 3.68Å; F229-F267 HydrophobicContact CG-CE1 3.68Å; F229-F267 HydrophobicContact CG-CZ 4.25Å; F229-F267 HydrophobicContact CZ-CE1 4.42Å; L235-F267 HydrophobicContact CD1-CE2 3.7Å; L235-F267 HydrophobicContact CD1-CZ 4.22Å; L235-F267 HydrophobicContact CD2-CE2 4.38Å; L235-F267 HydrophobicContact CD2-CZ 4.07Å; L235-F267 HydrophobicContact CG-CE2 4.48Å; I246-F267 HydrophobicContact CG1-CE2 4.39Å; I246-F267 HydrophobicContact CG2-CB 4.34Å; I246-F267 HydrophobicContact CG2-CD1 4.14Å; I246-F267 HydrophobicContact CG2-CD2 4.08Å; I246-F267 HydrophobicContact CG2-CE1 4.49Å; I246-F267 HydrophobicContact CG2-CE2 4.5Å; I246-F267 HydrophobicContact CG2-CG 3.9Å; N247-F267 PolarHBondContact O-N 2.71Å; S249-F267 PolarHBondContact O-N 3.26Å; F267-P269 HydrophobicContact CD1-CG 4.06Å; F267-P269 HydrophobicContact CE1-CB 4.33Å; F267-P269 HydrophobicContact CE1-CG 3.79Å; F267-P269 WeakPolarHBondContact O-CD 3.41Å
268V93Very high93.6Very high47 Ų4735.5 Ų35.529%0.28521%0.206SC..EExtended strand (participates in β ladder)trans-11798.2-178.8-173.70000109I266 G270 I271 C272 R273 V275I266-V268 HydrophobicContact CG2-CG2 4.17Å; V268-G270 PolarHBondContact O-N 2.88Å; V268-I271 HydrophobicContact CB-CD1 4.12Å; V268-I271 HydrophobicContact CB-CG1 3.73Å; V268-I271 HydrophobicContact CG1-CD1 4.29Å; V268-I271 HydrophobicContact CG1-CG1 3.79Å; V268-I271 PolarHBondContact O-N 3Å; V268-C272 PolarHBondContact O-N 2.83Å; V268-R273 PolarHBondContact N-O 3.27Å; V268-V275 HydrophobicContact CG2-CG1 4.28Å; V268-V275 HydrophobicContact CG2-CG2 3.85Å
269P90.8Very high93.6Very high26 Ų2635 Ų3517%0.16920%0.203CC..G310 helixtrans-52.7-39.5-179-29.534.8000113.9F211 F229 F267 I271 C272 C335F211-P269 HydrophobicContact CZ-CG 4.25Å; F229-P269 HydrophobicContact CE1-CB 4.43Å; F229-P269 HydrophobicContact CE2-CB 4.15Å; F229-P269 HydrophobicContact CE2-CG 4.03Å; F229-P269 HydrophobicContact CZ-CB 3.74Å; F229-P269 HydrophobicContact CZ-CG 4.12Å; F267-P269 HydrophobicContact CD1-CG 4.06Å; F267-P269 HydrophobicContact CE1-CB 4.33Å; F267-P269 HydrophobicContact CE1-CG 3.79Å; F267-P269 WeakPolarHBondContact O-CD 3.41Å; P269-I271 PolarHBondContact O-N 2.98Å; P269-I271 VanDerWaalsContact O-N 3.12Å; P269-C272 PolarHBondContact O-N 2.92Å; P269-C335 PolarHBondContact O-SG 2.75Å
270G85.5Confident93.6Very high37 Ų3733.4 Ų33.438%0.38119%0.19SC..G310 helixtrans-63.7-16.9-176.500000115.5V268V268-G270 PolarHBondContact O-N 2.88Å
271I88.1Confident93.6Very high13 Ų1335.7 Ų35.77%0.06719%0.193CC..G310 helixtrans-120.88.3173.558.5170.9000112.6V268 P269 R273 V275 V330 F332V268-I271 HydrophobicContact CB-CD1 4.12Å; V268-I271 HydrophobicContact CB-CG1 3.73Å; V268-I271 HydrophobicContact CG1-CD1 4.29Å; V268-I271 HydrophobicContact CG1-CG1 3.79Å; V268-I271 PolarHBondContact O-N 3Å; P269-I271 PolarHBondContact O-N 2.98Å; P269-I271 VanDerWaalsContact O-N 3.12Å; I271-R273 VanDerWaalsContact C-N 3.25Å; I271-R273 HydrophobicContact CB-CG 4.43Å; I271-R273 HydrophobicContact CD1-CG 3.72Å; I271-R273 HydrophobicContact CG1-CG 3.82Å; I271-R273 PolarHBondContact O-N 3.07Å; I271-V275 HydrophobicContact CD1-CG1 3.91Å; I271-V330 HydrophobicContact CD1-CG1 4.2Å; I271-F332 HydrophobicContact CG2-CD1 4.03Å; I271-F332 HydrophobicContact CG2-CD2 3.76Å; I271-F332 HydrophobicContact CG2-CE1 3.6Å; I271-F332 HydrophobicContact CG2-CE2 3.25Å; I271-F332 HydrophobicContact CG2-CG 4.1Å; I271-F332 HydrophobicContact CG2-CZ 3.17Å
272C91.2Very high93.7Very high11 Ų1138.2 Ų38.27%0.07420%0.197CC..THydrogen-bonded Turntrans5040.7178.9-64.20000113.6L235 Q237 W238 V268 P269 C335L235-C272 HydrophobicContact CD1-CB 4.5Å; L235-C272 WeakPolarHBondContact CD1-O 3.42Å; Q237-C272 HydrophobicContact CB-CB 4.21Å; Q237-C272 HydrophobicContact CG-CB 3.92Å; W238-C272 PolarHBondContact NE1-O 3.21Å; V268-C272 PolarHBondContact O-N 2.83Å; P269-C272 PolarHBondContact O-N 2.92Å; C272-C335 HydrophobicContact CB-CB 3.58Å; C272-C335 WeakPolarHBondContact CB-SG 3.26Å; C272-C335 PolarHBondContact N-SG 3.33Å; C272-C335 WeakPolarHBondContact SG-CA 3.35Å; C272-C335 WeakPolarHBondContact SG-CB 3.4Å; C272-C335 CovalentContact SG-SG 2.04Å; C272-C335 PolarHBondContact SG-SG 3.3Å
273R91.7Very high93.8Very high24 Ų2438.9 Ų38.99%0.09120%0.201CC..EExtended strand (participates in β ladder)trans-158.2166.417460.4176.7-79.8-168.8-10.2111.6W238 V268 I271 E302 F314W238-R273 HydrophobicContact CZ2-CB 4.42Å; W238-R273 HydrophobicContact CZ2-CG 4.36Å; V268-R273 PolarHBondContact N-O 3.27Å; I271-R273 VanDerWaalsContact C-N 3.25Å; I271-R273 HydrophobicContact CB-CG 4.43Å; I271-R273 HydrophobicContact CD1-CG 3.72Å; I271-R273 HydrophobicContact CG1-CG 3.82Å; I271-R273 PolarHBondContact O-N 3.07Å; R273-E302 IonicContact NH2-OE1 3.16Å; R273-E302 IonicContact NH2-OE2 3.07Å; R273-E302 PolarHBondContact NH2-OE2 3.48Å; R273-F314 HydrophobicContact CB-CD1 4.41Å; R273-F314 HydrophobicContact CB-CE1 3.75Å; R273-F314 HydrophobicContact CG-CE1 4.34Å
274S92.5Very high94Very high11 Ų1137.8 Ų37.88%0.07721%0.206CC..EExtended strand (participates in β ladder)trans-85.5149.6167-61.20000111.9N247 I266N247-S274 WeakPolarHBondContact CA-OG 3.42Å; N247-S274 PolarHBondContact N-OG 2.81Å; N247-S274 PolarHBondContact O-OG 2.77Å; I266-S274 CarbonylContact O-C 3.58Å; I266-S274 WeakPolarHBondContact O-CA 3.33Å
275V91.4Very high94.1Very high25 Ų2534.8 Ų34.815%0.15220%0.195CC..EExtended strand (participates in β ladder)trans-118.8150.6171.3-59.20000109.8H265 I266 V268 I271 M277 E302H265-V275 CarbonylContact C-O 3.58Å; H265-V275 VanDerWaalsContact CA-O 3.3Å; H265-V275 WeakPolarHBondContact CA-O 3.38Å; I266-V275 HydrophobicContact CB-CG2 4.14Å; I266-V275 PolarHBondContact N-O 2.87Å; I266-V275 PolarHBondContact O-N 2.82Å; V268-V275 HydrophobicContact CG2-CG1 4.28Å; V268-V275 HydrophobicContact CG2-CG2 3.85Å; I271-V275 HydrophobicContact CD1-CG1 3.91Å; V275-M277 HydrophobicContact CG2-SD 4.25Å; V275-E302 WeakPolarHBondContact CA-OE1 3.34Å
276V92.2Very high94.1Very high10 Ų1034.9 Ų34.96%0.06120%0.201CC..EExtended strand (participates in β ladder)trans-97.1122.9175.8-176.80000109.4R263 H265 A299 E302R263-V276 HydrophobicContact CB-CG1 3.92Å; R263-V276 HydrophobicContact CG-CG1 4.18Å; H265-V276 VanDerWaalsContact CE1-CG2 3.41Å; H265-V276 WeakPolarHBondContact CE1-CG2 3.27Å; V276-A299 HydrophobicContact CB-CB 4.26Å; V276-A299 HydrophobicContact CG1-CB 3.98Å; V276-A299 PolarHBondContact O-N 2.82Å; V276-E302 HydrophobicContact CB-CG 4.38Å; V276-E302 WeakPolarHBondContact CG2-OE1 3.34Å; V276-E302 PolarHBondContact N-OE1 2.59Å
277M95Very high94.1Very high8 Ų839.3 Ų39.34%0.03922%0.22CC..EExtended strand (participates in β ladder)trans-105.7139.7172.7-55.7-63-7100109.8M254 R263 R264 I266 V275 F296 E297 P298 L377M254-M277 HydrophobicContact CE-CB 4.21Å; R263-M277 CarbonylContact C-O 3.57Å; R263-M277 VanDerWaalsContact CA-O 3.27Å; R263-M277 WeakPolarHBondContact CA-O 3.18Å; R264-M277 PolarHBondContact N-O 2.92Å; R264-M277 PolarHBondContact O-N 2.94Å; I266-M277 HydrophobicContact CD1-CG 3.54Å; I266-M277 HydrophobicContact CG1-CG 4.01Å; V275-M277 HydrophobicContact CG2-SD 4.25Å; M277-F296 HydrophobicContact CB-CB 4.27Å; M277-F296 HydrophobicContact CB-CD1 3.88Å; M277-F296 HydrophobicContact CE-CB 4.49Å; M277-E297 CarbonylContact C-O 3.41Å; M277-E297 VanDerWaalsContact CA-O 3.3Å; M277-E297 WeakPolarHBondContact CA-O 3.27Å; M277-E297 VanDerWaalsContact CE-C 3.46Å; M277-P298 HydrophobicContact CE-CG 4.19Å; M277-P298 HydrophobicContact SD-CB 4.32Å; M277-P298 HydrophobicContact SD-CG 4.07Å; M277-L377 HydrophobicContact CE-CD1 4.16Å; M277-L377 HydrophobicContact CE-CG 4.13Å
278E95.3Very high94.1Very high50 Ų5040.4 Ų40.423%0.23423%0.225CC..EExtended strand (participates in β ladder)trans-116.8134.2178.8-177.7165.4174.900111.3V262 R263 T280 F296 E297 A299V262-E278 WeakPolarHBondContact O-CA 3.28Å; R263-E278 HydrophobicContact CG-CB 4.02Å; R263-E278 HydrophobicContact CG-CG 4.07Å; R263-E278 IonicContact CZ-OE2 2.84Å; R263-E278 VanDerWaalsContact CZ-OE2 3.24Å; R263-E278 IonicContact NE-OE2 3.92Å; R263-E278 PolarHBondContact NE-OE2 3.45Å; R263-E278 IonicContact NH2-OE1 3.75Å; R263-E278 IonicContact NH2-OE2 3.02Å; R263-E278 PolarHBondContact NH2-OE2 2.89Å; E278-T280 PolarHBondContact O-N 2.84Å; E278-F296 VanDerWaalsContact O-CA 3.28Å; E278-F296 WeakPolarHBondContact O-CA 3.42Å; E278-E297 PolarHBondContact N-O 2.93Å; E278-E297 PolarHBondContact O-N 2.9Å; E278-A299 HydrophobicContact CB-CB 4.19Å
279A97.6Very high94.2Very high0 Ų042.5 Ų42.50%024%0.242CC..EExtended strand (participates in β ladder)trans-73.6111.3172.400000110.4G261 V262 L294 T295 F296G261-A279 PolarHBondContact N-O 3.1Å; V262-A279 HydrophobicContact CG1-CB 3.86Å; V262-A279 PolarHBondContact O-N 2.76Å; A279-L294 HydrophobicContact CB-CB 4.41Å; A279-L294 HydrophobicContact CB-CD1 4.22Å; A279-T295 CarbonylContact C-O 3.58Å; A279-T295 WeakPolarHBondContact CA-O 3.33Å; A279-F296 HydrophobicContact CB-CD1 4.33Å; A279-F296 HydrophobicContact CB-CD2 4.21Å; A279-F296 HydrophobicContact CB-CE1 3.94Å; A279-F296 HydrophobicContact CB-CE2 3.81Å; A279-F296 HydrophobicContact CB-CG 4.47Å; A279-F296 HydrophobicContact CB-CZ 3.67Å
280T96.5Very high94.4Very high46 Ų4647.3 Ų47.328%0.28226%0.26SS..EExtended strand (participates in β ladder)trans-94.6-43.1-173.458.30000112.8V260 E278 T295 E297V260-T280 VanDerWaalsContact CG1-O 3.29Å; V260-T280 WeakPolarHBondContact CG1-O 3.41Å; E278-T280 PolarHBondContact O-N 2.84Å; T280-T295 PolarHBondContact N-O 3.18Å; T280-T295 PolarHBondContact OG1-O 2.84Å; T280-T295 PolarHBondContact OG1-OG1 3.36Å; T280-E297 HydrophobicContact CG2-CB 4.07Å; T280-E297 HydrophobicContact CG2-CG 4.23Å; T280-E297 PolarHBondContact OG1-OE1 2.79Å
281K97.4Very high94.9Very high128 Ų12845.6 Ų45.656%0.55724%0.242SC*.EExtended strand (participates in β ladder)trans-145.6156.7-171.7-55.5175.8-172.5167.90111.4V283 L294 T295K281-V283 HydrophobicContact CB-CG1 4.12Å; K281-L294 CarbonylContact O-C 3.57Å; K281-L294 VanDerWaalsContact O-CA 3.23Å; K281-L294 WeakPolarHBondContact O-CA 3.24Å; K281-T295 WeakPolarHBondContact CB-OG1 3.29Å; K281-T295 PolarHBondContact N-OG1 2.61Å; K281-T295 PolarHBondContact O-N 3.49Å; K281-T295 PolarHBondContact O-OG1 3Å
282L98.2Very high95.2Very high96 Ų9648.4 Ų48.450%0.50326%0.255SS..EExtended strand (participates in β ladder)trans-105.8120.2167.7-17771000108.8Q292 V293 L294 P381L282-Q292 HydrophobicContact CD1-CB 4.14Å; L282-Q292 HydrophobicContact CG-CB 4.49Å; L282-V293 WeakPolarHBondContact CA-O 3.35Å; L282-L294 HydrophobicContact CB-CD2 4.19Å; L282-L294 HydrophobicContact CD1-CD2 4Å; L282-L294 HydrophobicContact CD1-CG 4.35Å; L282-P381 HydrophobicContact CD1-CG 3.64Å
283V97.6Very high95.6Very high41 Ų4147.9 Ų47.925%0.24825%0.251CS..EExtended strand (participates in β ladder)trans-138.4159.6-173.5-58.40000111.9K281 Q292 V293 T295K281-V283 HydrophobicContact CB-CG1 4.12Å; V283-Q292 WeakPolarHBondContact O-CA 3.33Å; V283-V293 HydrophobicContact CG2-CG2 4.11Å; V283-V293 PolarHBondContact N-O 3.27Å; V283-V293 WeakPolarHBondContact O-CG2 3.42Å; V283-V293 PolarHBondContact O-N 3.06Å; V283-T295 HydrophobicContact CG2-CG2 3.74Å
284P97.7Very high95.9Very high74 Ų7446.9 Ų46.948%0.48125%0.248SC..EExtended strand (participates in β ladder)trans-60.9140.5167.5-19.831.8000111.6
285H97.5Very high96.2Very high2 Ų246.9 Ų46.91%0.00925%0.247CC..  trans-62.5130.7178.8-179.3-90.6000111.3K287 F288 S289 L291 V293 L387 Y428H285-K287 VanDerWaalsContact C-N 3.28Å; H285-K287 PolarHBondContact ND1-N 2.96Å; H285-K287 PolarHBondContact O-N 3.41Å; H285-K287 VanDerWaalsContact O-N 3.12Å; H285-F288 WeakPolarHBondContact CB-O 3.29Å; H285-F288 PolarHBondContact ND1-N 2.9Å; H285-F288 VanDerWaalsContact ND1-N 3.12Å; H285-F288 CarbonylContact O-C 3.44Å; H285-F288 PolarHBondContact O-N 2.85Å; H285-F288 VanDerWaalsContact O-N 3.09Å; H285-S289 PolarHBondContact O-N 2.78Å; H285-L291 HydrophobicContact CB-CB 3.98Å; H285-L291 PolarHBondContact N-O 2.64Å; H285-V293 HydrophobicContact CB-CG1 4.14Å; H285-V293 HydrophobicContact CB-CG2 4.14Å; H285-L387 PolarHBondContact NE2-O 3.37Å; H285-Y428 AromaticContact CE1-CD1 3.67Å; H285-Y428 AromaticContact NE2-CD1 3.72Å
286P95.6Very high96.4Very high67 Ų6745.7 Ų45.744%0.43524%0.24SC..THydrogen-bonded Turntrans-56.9-34.7-170.3-27.132.7000115.3Y378 Y428P286-Y378 HydrophobicContact CG-CD1 3.98Å; P286-Y378 HydrophobicContact CG-CD2 4.09Å; P286-Y378 HydrophobicContact CG-CE1 3.6Å; P286-Y378 HydrophobicContact CG-CE2 3.73Å; P286-Y378 HydrophobicContact CG-CG 4.21Å; P286-Y378 VanDerWaalsContact CG-CZ 3.47Å; P286-Y428 HydrophobicContact CB-CE1 4.26Å; P286-Y428 HydrophobicContact CG-CE1 4.29Å
287K95.3Very high96.6Very high107 Ų10747.2 Ų47.247%0.46525%0.247SC..THydrogen-bonded Turntrans-102.6-10.4179.9-52.3-66.3-174.5-177.70113.7H285 E426 Y428 M431H285-K287 VanDerWaalsContact C-N 3.28Å; H285-K287 PolarHBondContact ND1-N 2.96Å; H285-K287 PolarHBondContact O-N 3.41Å; H285-K287 VanDerWaalsContact O-N 3.12Å; K287-E426 WeakPolarHBondContact CE-OE1 3.46Å; K287-E426 IonicContact NZ-OE1 3.45Å; K287-E426 PolarHBondContact NZ-OE1 2.82Å; K287-Y428 HydrophobicContact CB-CD1 4.49Å; K287-Y428 HydrophobicContact CD-CD2 4.39Å; K287-Y428 HydrophobicContact CD-CE2 4.31Å; K287-Y428 VanDerWaalsContact CE-CD2 3.49Å; K287-Y428 HydrophobicContact CG-CD1 3.7Å; K287-Y428 HydrophobicContact CG-CD2 3.89Å; K287-Y428 HydrophobicContact CG-CE1 3.83Å; K287-Y428 HydrophobicContact CG-CE2 4.03Å; K287-Y428 HydrophobicContact CG-CG 3.73Å; K287-M431 WeakPolarHBondContact O-CE 3.2Å
288F96.4Very high96.4Very high25 Ų2550.3 Ų50.311%0.1127%0.267CS..  trans-150.276.7-173.6-171.6-121.7000111.5H285 K290 L291 M431 L434 N435 Y438H285-F288 WeakPolarHBondContact CB-O 3.29Å; H285-F288 PolarHBondContact ND1-N 2.9Å; H285-F288 VanDerWaalsContact ND1-N 3.12Å; H285-F288 CarbonylContact O-C 3.44Å; H285-F288 PolarHBondContact O-N 2.85Å; H285-F288 VanDerWaalsContact O-N 3.09Å; F288-K290 HydrophobicContact CD1-CB 4.41Å; F288-K290 HydrophobicContact CE1-CB 3.98Å; F288-K290 HydrophobicContact CE2-CB 4.44Å; F288-K290 HydrophobicContact CE2-CD 4.11Å; F288-K290 HydrophobicContact CE2-CG 4.44Å; F288-K290 HydrophobicContact CZ-CB 4.01Å; F288-K290 HydrophobicContact CZ-CD 3.89Å; F288-K290 HydrophobicContact CZ-CG 4.34Å; F288-K290 PolarHBondContact O-N 2.84Å; F288-L291 HydrophobicContact CD1-CB 4.24Å; F288-L291 HydrophobicContact CD1-CD1 3.69Å; F288-L291 HydrophobicContact CD1-CG 3.67Å; F288-L291 HydrophobicContact CE1-CD1 4.18Å; F288-L291 HydrophobicContact CE1-CG 3.97Å; F288-L291 PolarHBondContact O-N 2.98Å; F288-M431 HydrophobicContact CB-SD 4.03Å; F288-M431 HydrophobicContact CD2-CE 4.29Å; F288-M431 HydrophobicContact CD2-SD 3.41Å; F288-M431 WeakPolarHBondContact CD2-SD 3.13Å; F288-M431 HydrophobicContact CE2-SD 4.03Å; F288-M431 HydrophobicContact CG-SD 3.88Å; F288-L434 HydrophobicContact CB-CD1 3.89Å; F288-L434 HydrophobicContact CD1-CB 4.03Å; F288-L434 HydrophobicContact CG-CB 4.39Å; F288-N435 HydrophobicContact CZ-CB 4.49Å; F288-Y438 HydrophobicContact CE1-CG 4.22Å
289S95.6Very high96Very high92 Ų9248.2 Ų48.264%0.64326%0.258SS*.THydrogen-bonded Turntrans-56.3-12.4-169.7570000116.7H285 L291H285-S289 PolarHBondContact O-N 2.78Å; S289-L291 VanDerWaalsContact C-N 3.3Å
290K94.2Very high94.5Very high127 Ų12756.2 Ų56.255%0.55230%0.296SS*.THydrogen-bonded Turntrans-70.2-25.8173-65.2-176.5-177.9176.40113F288 Y438 Q442F288-K290 HydrophobicContact CD1-CB 4.41Å; F288-K290 HydrophobicContact CE1-CB 3.98Å; F288-K290 HydrophobicContact CE2-CB 4.44Å; F288-K290 HydrophobicContact CE2-CD 4.11Å; F288-K290 HydrophobicContact CE2-CG 4.44Å; F288-K290 HydrophobicContact CZ-CB 4.01Å; F288-K290 HydrophobicContact CZ-CD 3.89Å; F288-K290 HydrophobicContact CZ-CG 4.34Å; F288-K290 PolarHBondContact O-N 2.84Å; K290-Y438 HydrophobicContact CB-CD2 4.17Å; K290-Y438 HydrophobicContact CB-CE2 3.97Å; K290-Q442 PolarHBondContact O-OE1 2.82Å
291L95.4Very high92.4Very high0 Ų055.3 Ų55.30%029%0.29CS..SBendtrans-89.4137.9173.9-74.3174.5000110.4H285 F288 S289 L387 L434 Y438 Q442H285-L291 HydrophobicContact CB-CB 3.98Å; H285-L291 PolarHBondContact N-O 2.64Å; F288-L291 HydrophobicContact CD1-CB 4.24Å; F288-L291 HydrophobicContact CD1-CD1 3.69Å; F288-L291 HydrophobicContact CD1-CG 3.67Å; F288-L291 HydrophobicContact CE1-CD1 4.18Å; F288-L291 HydrophobicContact CE1-CG 3.97Å; F288-L291 PolarHBondContact O-N 2.98Å; S289-L291 VanDerWaalsContact C-N 3.3Å; L291-L387 HydrophobicContact CD1-CD1 3.83Å; L291-L434 HydrophobicContact CD1-CB 4.25Å; L291-L434 HydrophobicContact CD1-CD2 4.26Å; L291-Y438 HydrophobicContact CD2-CD2 3.88Å; L291-Y438 HydrophobicContact CD2-CG 4.37Å; L291-Y438 HydrophobicContact CG-CD2 4.34Å; L291-Q442 HydrophobicContact CD2-CG 4.39Å
292Q96.1Very high90.2Very high72 Ų7251.4 Ų51.434%0.33627%0.274SS..EExtended strand (participates in β ladder)trans-97.5135.1165.7-64.3-64.8-51.600108.6L282 V283 P381L282-Q292 HydrophobicContact CD1-CB 4.14Å; L282-Q292 HydrophobicContact CG-CB 4.49Å; V283-Q292 WeakPolarHBondContact O-CA 3.33Å; Q292-P381 VanDerWaalsContact O-CD 3.29Å; Q292-P381 WeakPolarHBondContact O-CD 3.26Å
293V98.1Very high88Confident0 Ų050.6 Ų50.60%027%0.267CS..EExtended strand (participates in β ladder)trans-133.2146.7-177.2-69.50000111L282 V283 H285 Y378 V379 L387L282-V293 WeakPolarHBondContact CA-O 3.35Å; V283-V293 HydrophobicContact CG2-CG2 4.11Å; V283-V293 PolarHBondContact N-O 3.27Å; V283-V293 WeakPolarHBondContact O-CG2 3.42Å; V283-V293 PolarHBondContact O-N 3.06Å; H285-V293 HydrophobicContact CB-CG1 4.14Å; H285-V293 HydrophobicContact CB-CG2 4.14Å; V293-Y378 HydrophobicContact CG2-CD1 4.04Å; V293-Y378 HydrophobicContact CG2-CG 4.43Å; V293-V379 CarbonylContact C-O 3.52Å; V293-V379 VanDerWaalsContact CA-O 3.3Å; V293-V379 WeakPolarHBondContact CA-O 3.47Å; V293-L387 HydrophobicContact CG1-CD1 4.13Å
294L98.5Very high85.7Confident3 Ų351.6 Ų51.62%0.01627%0.272CS..EExtended strand (participates in β ladder)trans-78136166.3-67.3170.3000109.6L258 V260 A279 K281 L282 F296 Y378 V379 P381L258-L294 HydrophobicContact CB-CD1 3.6Å; V260-L294 HydrophobicContact CG2-CD2 3.75Å; A279-L294 HydrophobicContact CB-CB 4.41Å; A279-L294 HydrophobicContact CB-CD1 4.22Å; K281-L294 CarbonylContact O-C 3.57Å; K281-L294 VanDerWaalsContact O-CA 3.23Å; K281-L294 WeakPolarHBondContact O-CA 3.24Å; L282-L294 HydrophobicContact CB-CD2 4.19Å; L282-L294 HydrophobicContact CD1-CD2 4Å; L282-L294 HydrophobicContact CD1-CG 4.35Å; L294-F296 HydrophobicContact CB-CD2 4.13Å; L294-F296 HydrophobicContact CB-CE2 3.88Å; L294-F296 HydrophobicContact CD1-CE2 4.14Å; L294-Y378 WeakPolarHBondContact O-CA 3.19Å; L294-V379 PolarHBondContact N-O 3.46Å; L294-V379 PolarHBondContact O-N 3.01Å; L294-P381 HydrophobicContact CD1-CB 4.11Å; L294-P381 HydrophobicContact CG-CB 4.2Å; L294-P381 HydrophobicContact CG-CG 4.11Å
295T98Very high83.5Confident11 Ų1151.6 Ų51.67%0.06727%0.273CS..EExtended strand (participates in β ladder)trans-85122.1165.351.30000109A279 T280 K281 V283 V376 L377 Y378A279-T295 CarbonylContact C-O 3.58Å; A279-T295 WeakPolarHBondContact CA-O 3.33Å; T280-T295 PolarHBondContact N-O 3.18Å; T280-T295 PolarHBondContact OG1-O 2.84Å; T280-T295 PolarHBondContact OG1-OG1 3.36Å; K281-T295 WeakPolarHBondContact CB-OG1 3.29Å; K281-T295 PolarHBondContact N-OG1 2.61Å; K281-T295 PolarHBondContact O-N 3.49Å; K281-T295 PolarHBondContact O-OG1 3Å; V283-T295 HydrophobicContact CG2-CG2 3.74Å; T295-V376 HydrophobicContact CG2-CG1 3.92Å; T295-L377 CarbonylContact C-O 3.52Å; T295-L377 WeakPolarHBondContact CA-O 3.49Å; T295-Y378 HydrophobicContact CG2-CD1 4.07Å; T295-Y378 HydrophobicContact CG2-CE1 3.94Å
296F97.4Very high81.2Confident0 Ų058.5 Ų58.50%031%0.31CS..EExtended strand (participates in β ladder)trans-104126.3171.2-84.3-101.8000109.8M254 L258 V262 R264 M277 E278 A279 L294 V376 L377 V379M254-F296 HydrophobicContact CE-CD1 3.89Å; M254-F296 HydrophobicContact CE-CE1 4.1Å; M254-F296 HydrophobicContact CE-CG 4.32Å; L258-F296 HydrophobicContact CD1-CE2 4.25Å; L258-F296 HydrophobicContact CD1-CZ 4.04Å; V262-F296 HydrophobicContact CG1-CE1 4.1Å; V262-F296 HydrophobicContact CG1-CZ 3.74Å; R264-F296 HydrophobicContact CB-CE1 4.35Å; R264-F296 HydrophobicContact CG-CE1 4.08Å; M277-F296 HydrophobicContact CB-CB 4.27Å; M277-F296 HydrophobicContact CB-CD1 3.88Å; M277-F296 HydrophobicContact CE-CB 4.49Å; E278-F296 VanDerWaalsContact O-CA 3.28Å; E278-F296 WeakPolarHBondContact O-CA 3.42Å; A279-F296 HydrophobicContact CB-CD1 4.33Å; A279-F296 HydrophobicContact CB-CD2 4.21Å; A279-F296 HydrophobicContact CB-CE1 3.94Å; A279-F296 HydrophobicContact CB-CE2 3.81Å; A279-F296 HydrophobicContact CB-CG 4.47Å; A279-F296 HydrophobicContact CB-CZ 3.67Å; L294-F296 HydrophobicContact CB-CD2 4.13Å; L294-F296 HydrophobicContact CB-CE2 3.88Å; L294-F296 HydrophobicContact CD1-CE2 4.14Å; F296-V376 CarbonylContact O-C 3.58Å; F296-V376 WeakPolarHBondContact O-CA 3.03Å; F296-L377 HydrophobicContact CB-CB 4.08Å; F296-L377 PolarHBondContact N-O 2.91Å; F296-L377 PolarHBondContact O-N 3.47Å; F296-V379 HydrophobicContact CD2-CB 3.74Å; F296-V379 HydrophobicContact CD2-CG1 4.44Å; F296-V379 HydrophobicContact CD2-CG2 3.4Å; F296-V379 VanDerWaalsContact CD2-CG2 3.4Å; F296-V379 HydrophobicContact CE2-CB 3.72Å; F296-V379 HydrophobicContact CE2-CG1 3.98Å; F296-V379 HydrophobicContact CE2-CG2 3.8Å; F296-V379 HydrophobicContact CG-CG2 4.2Å
297E94.8Very high78.9Confident43 Ų4360.5 Ų60.520%0.20132%0.316CS..EExtended strand (participates in β ladder)trans-121.6153.8179.4-67.9168-129.900109.2M277 E278 T280 A299 V376M277-E297 CarbonylContact C-O 3.41Å; M277-E297 VanDerWaalsContact CA-O 3.3Å; M277-E297 WeakPolarHBondContact CA-O 3.27Å; M277-E297 VanDerWaalsContact CE-C 3.46Å; E278-E297 PolarHBondContact N-O 2.93Å; E278-E297 PolarHBondContact O-N 2.9Å; T280-E297 HydrophobicContact CG2-CB 4.07Å; T280-E297 HydrophobicContact CG2-CG 4.23Å; T280-E297 PolarHBondContact OG1-OE1 2.79Å; E297-A299 PolarHBondContact O-N 2.86Å; E297-V376 HydrophobicContact CG-CG2 4.17Å
298P91.2Very high76.8Confident72 Ų7259.3 Ų59.347%0.46831%0.309SS..EExtended strand (participates in β ladder)trans-53.5130.3170.6-23.934.3000110M277 E300 T375M277-P298 HydrophobicContact CE-CG 4.19Å; M277-P298 HydrophobicContact SD-CB 4.32Å; M277-P298 HydrophobicContact SD-CG 4.07Å; P298-E300 PolarHBondContact O-N 2.9Å; P298-T375 VanDerWaalsContact CD-O 3.31Å; P298-T375 WeakPolarHBondContact CD-O 3.33Å
299A86.3Confident74.7Confident6 Ų663 Ų635%0.0534%0.335CS..  trans-69123.2-178.100000110.1V276 E278 E297 V301 E302V276-A299 HydrophobicContact CB-CB 4.26Å; V276-A299 HydrophobicContact CG1-CB 3.98Å; V276-A299 PolarHBondContact O-N 2.82Å; E278-A299 HydrophobicContact CB-CB 4.19Å; E297-A299 PolarHBondContact O-N 2.86Å; A299-V301 PolarHBondContact O-N 3.35Å; A299-E302 PolarHBondContact O-N 3.26Å
300E66.4Low73.3Confident169 Ų16959.1 Ų59.179%0.7931%0.308SS*.G310 helixtrans-52-24.6177.3-65.3180173.500112.9P298 E302 E303P298-E300 PolarHBondContact O-N 2.9Å; E300-E302 PolarHBondContact O-N 3.01Å; E300-E303 WeakPolarHBondContact O-CB 3.49Å; E300-E303 PolarHBondContact O-N 3.31Å
301V53.6Low72.2Confident27 Ų2754.7 Ų54.716%0.16429%0.292CS..G310 helixtrans-72.3-11.2-177.3-159.70000113.3R263 A299 E303 I307 Y308R263-V301 VanDerWaalsContact NH2-CG2 3.3Å; A299-V301 PolarHBondContact O-N 3.35Å; V301-E303 PolarHBondContact O-N 2.88Å; V301-I307 HydrophobicContact CG1-CB 3.86Å; V301-I307 HydrophobicContact CG1-CG2 3.44Å; V301-I307 VanDerWaalsContact CG1-CG2 3.44Å; V301-Y308 HydrophobicContact CG1-CD2 3.99Å
302E51.5Low71.6Confident46 Ų4658.2 Ų58.222%0.21532%0.317CS..G310 helixtrans-67.3-15.3169.4-70.5-150.6163.400113.2R273 V275 V276 A299 E300 V311R273-E302 IonicContact NH2-OE1 3.16Å; R273-E302 IonicContact NH2-OE2 3.07Å; R273-E302 PolarHBondContact NH2-OE2 3.48Å; V275-E302 WeakPolarHBondContact CA-OE1 3.34Å; V276-E302 HydrophobicContact CB-CG 4.38Å; V276-E302 WeakPolarHBondContact CG2-OE1 3.34Å; V276-E302 PolarHBondContact N-OE1 2.59Å; A299-E302 PolarHBondContact O-N 3.26Å; E300-E302 PolarHBondContact O-N 3.01Å; E302-V311 WeakPolarHBondContact O-CG2 3.29Å
303E51.1Low71.2Confident78 Ų7858 Ų5836%0.36432%0.316SS..SBendtrans-95.8-19.8-172.2-63-175.8175.800112.7E300 V301 E327E300-E303 WeakPolarHBondContact O-CB 3.49Å; E300-E303 PolarHBondContact O-N 3.31Å; V301-E303 PolarHBondContact O-N 2.88Å; E303-E327 HydrophobicContact CB-CG 3.91Å
304N50Low70.7Confident63 Ų6359.2 Ų59.234%0.33732%0.321SS..  trans-105.4102.3-176.8-166.6-20.2000113.4N306 I307 Y308N304-N306 PolarHBondContact O-N 3.03Å; N304-N306 VanDerWaalsContact O-N 3.07Å; N304-N306 WeakPolarHBondContact OD1-CB 3.48Å; N304-N306 PolarHBondContact OD1-N 2.79Å; N304-I307 HydrophobicContact CB-CD1 4.22Å; N304-I307 HydrophobicContact CB-CG1 4.43Å; N304-I307 PolarHBondContact O-N 2.77Å; N304-I307 VanDerWaalsContact O-N 3.1Å; N304-Y308 PolarHBondContact O-N 2.94Å
305S50.4Low70.3Confident73 Ų7360.4 Ų60.451%0.5133%0.33SS..THydrogen-bonded Turntrans-58.2-19.117763.80000115.5I307S305-I307 VanDerWaalsContact C-N 3.33Å
306N48.7Very low69.8Low147 Ų14760.9 Ų60.979%0.78633%0.331SS*.THydrogen-bonded Turntrans-77.1-19.2178.1-65.6-41000113.3N304N304-N306 PolarHBondContact O-N 3.03Å; N304-N306 VanDerWaalsContact O-N 3.07Å; N304-N306 WeakPolarHBondContact OD1-CB 3.48Å; N304-N306 PolarHBondContact OD1-N 2.79Å
307I47.7Very low69.3Low110 Ų11062.1 Ų62.156%0.56434%0.343SS*.THydrogen-bonded Turntrans-105.9-35.1-174.4-54.6174.4000110.8V301 N304 S305V301-I307 HydrophobicContact CG1-CB 3.86Å; V301-I307 HydrophobicContact CG1-CG2 3.44Å; V301-I307 VanDerWaalsContact CG1-CG2 3.44Å; N304-I307 HydrophobicContact CB-CD1 4.22Å; N304-I307 HydrophobicContact CB-CG1 4.43Å; N304-I307 PolarHBondContact O-N 2.77Å; N304-I307 VanDerWaalsContact O-N 3.1Å; S305-I307 VanDerWaalsContact C-N 3.33Å
308Y52.5Low68.9Low81 Ų8163.3 Ų63.332%0.31835%0.349SS..  trans-117.9106.3174.5-118.4-85.4000110.1V301 N304 S310 V311V301-Y308 HydrophobicContact CG1-CD2 3.99Å; N304-Y308 PolarHBondContact O-N 2.94Å; Y308-S310 WeakPolarHBondContact CD1-OG 3.41Å; Y308-S310 PolarHBondContact O-N 3.32Å; Y308-V311 PolarHBondContact O-N 2.86Å
309P51Low68.5Low102 Ų10265.7 Ų65.766%0.66235%0.35SS*.THydrogen-bonded Turntrans-60-14.3178.620.9-30000113.2S312P309-S312 PolarHBondContact O-OG 3.1Å
310S66.2Low68.3Low11 Ų1166.5 Ų66.58%0.07735%0.351CS..THydrogen-bonded Turntrans-78.2-14.8-178.279.30000115.8Y242 Y308 S312 E313 F314Y242-S310 WeakPolarHBondContact CE1-OG 3.34Å; Y242-S310 PolarHBondContact OH-OG 3.03Å; Y308-S310 WeakPolarHBondContact CD1-OG 3.41Å; Y308-S310 PolarHBondContact O-N 3.32Å; S310-S312 PolarHBondContact O-N 2.82Å; S310-E313 VanDerWaalsContact O-CB 3.26Å; S310-E313 WeakPolarHBondContact O-CB 3.47Å; S310-E313 PolarHBondContact O-N 2.66Å; S310-E313 VanDerWaalsContact O-N 3.08Å; S310-F314 WeakPolarHBondContact O-CD2 3.3Å
311V72.2Confident69.3Low35 Ų3558.7 Ų58.721%0.21232%0.315CS..G310 helixtrans-62.7-39.7-178.9-178.20000110.2E302 Y308 E313 F314E302-V311 WeakPolarHBondContact O-CG2 3.29Å; Y308-V311 PolarHBondContact O-N 2.86Å; V311-E313 PolarHBondContact O-N 2.91Å; V311-E313 VanDerWaalsContact O-N 3.13Å; V311-F314 PolarHBondContact O-N 2.99Å
312S82.3Confident71.1Confident74 Ų7459 Ų5952%0.51732%0.318SS..G310 helixtrans-60.1-23176.871.10000113.5P309 S310 F314 C315P309-S312 PolarHBondContact O-OG 3.1Å; S310-S312 PolarHBondContact O-N 2.82Å; S312-F314 VanDerWaalsContact C-N 3.26Å; S312-F314 PolarHBondContact O-N 3.16Å; S312-C315 VanDerWaalsContact O-CB 3.26Å; S312-C315 WeakPolarHBondContact O-CB 3.36Å; S312-C315 PolarHBondContact O-N 3.22Å; S312-C315 VanDerWaalsContact O-N 3.15Å
313E86.6Confident72.9Confident67 Ų6764.9 Ų64.931%0.31334%0.343SS..G310 helixtrans-74.2-18.9179.1-61.2-161-136.100113.2S240 Y242 A243 S310 V311 C315S240-E313 WeakPolarHBondContact CB-OE2 3.48Å; S240-E313 WeakPolarHBondContact OG-CB 3.13Å; S240-E313 PolarHBondContact OG-OE2 2.82Å; Y242-E313 VanDerWaalsContact CB-OE2 3.29Å; Y242-E313 WeakPolarHBondContact CB-OE2 3.19Å; A243-E313 HydrophobicContact CB-CB 4.34Å; S310-E313 VanDerWaalsContact O-CB 3.26Å; S310-E313 WeakPolarHBondContact O-CB 3.47Å; S310-E313 PolarHBondContact O-N 2.66Å; S310-E313 VanDerWaalsContact O-N 3.08Å; V311-E313 PolarHBondContact O-N 2.91Å; V311-E313 VanDerWaalsContact O-N 3.13Å; E313-C315 VanDerWaalsContact C-N 3.35Å
314F88.1Confident74.8Confident25 Ų2563.8 Ų63.811%0.1134%0.343CS..G310 helixtrans-92.47171.5-58-77.9000112.7W238 Y242 A243 R273 S310 V311 S312 Q316W238-F314 AromaticContact CD2-CD1 3.99Å; W238-F314 HydrophobicContact CD2-CD1 3.99Å; W238-F314 HydrophobicContact CE3-CB 4.29Å; W238-F314 HydrophobicContact CE3-CD1 4.09Å; W238-F314 HydrophobicContact CH2-CB 4.43Å; W238-F314 HydrophobicContact CH2-CD1 4.28Å; W238-F314 HydrophobicContact CZ2-CD1 4.17Å; W238-F314 HydrophobicContact CZ3-CB 3.97Å; W238-F314 HydrophobicContact CZ3-CD1 4.21Å; W238-F314 WeakPolarHBondContact CZ3-O 3.15Å; Y242-F314 HydrophobicContact CD1-CE2 4.38Å; Y242-F314 HydrophobicContact CD1-CZ 4.33Å; Y242-F314 AromaticContact CE1-CE2 3.92Å; Y242-F314 HydrophobicContact CE1-CE2 3.92Å; Y242-F314 HydrophobicContact CE1-CZ 4.01Å; A243-F314 VanDerWaalsContact CA-CE1 3.46Å; A243-F314 HydrophobicContact CB-CD1 3.55Å; A243-F314 HydrophobicContact CB-CE1 3.42Å; A243-F314 VanDerWaalsContact CB-CE1 3.42Å; A243-F314 HydrophobicContact CB-CG 4.27Å; A243-F314 HydrophobicContact CB-CZ 4.05Å; R273-F314 HydrophobicContact CB-CD1 4.41Å; R273-F314 HydrophobicContact CB-CE1 3.75Å; R273-F314 HydrophobicContact CG-CE1 4.34Å; S310-F314 WeakPolarHBondContact O-CD2 3.3Å; V311-F314 PolarHBondContact O-N 2.99Å; S312-F314 VanDerWaalsContact C-N 3.26Å; S312-F314 PolarHBondContact O-N 3.16Å; F314-Q316 PolarHBondContact O-N 3.5Å
315C89.5Confident76.7Confident29 Ų2962.3 Ų62.320%0.19634%0.34CS..  trans-83.599.3175.1-63.70000111.1S312 E313 K323 C324S312-C315 VanDerWaalsContact O-CB 3.26Å; S312-C315 WeakPolarHBondContact O-CB 3.36Å; S312-C315 PolarHBondContact O-N 3.22Å; S312-C315 VanDerWaalsContact O-N 3.15Å; E313-C315 VanDerWaalsContact C-N 3.35Å; C315-K323 CarbonylContact C-O 3.57Å; C315-K323 WeakPolarHBondContact CB-O 3.42Å; C315-C324 HydrophobicContact CB-CB 3.98Å; C315-C324 WeakPolarHBondContact CB-SG 3.4Å; C315-C324 WeakPolarHBondContact SG-CB 3.4Å; C315-C324 CovalentContact SG-SG 2.02Å; C315-C324 PolarHBondContact SG-SG 2.93Å
316Q88.1Confident78.7Confident21 Ų2160.7 Ų60.710%0.09833%0.327CS..  trans-135.134.9178.5-165.5171.1-46.700112.2Q237 W238 N239 F314 Q318 P334Q237-Q316 PolarHBondContact O-NE2 2.95Å; Q237-Q316 PolarHBondContact O-OE1 3.17Å; W238-Q316 VanDerWaalsContact C-OE1 3.3Å; W238-Q316 HydrophobicContact CE3-CB 4.44Å; N239-Q316 VanDerWaalsContact CG-OE1 3.24Å; N239-Q316 PolarHBondContact OD1-OE1 2.85Å; F314-Q316 PolarHBondContact O-N 3.5Å; Q316-Q318 PolarHBondContact O-N 2.7Å; Q316-Q318 PolarHBondContact O-NE2 3.08Å; Q316-P334 HydrophobicContact CB-CG 4.18Å
317G87.7Confident80.5Confident25 Ų2559.3 Ų59.326%0.25832%0.316SS..  trans-57.9132.8173.600000111.3P322 K323G317-P322 WeakPolarHBondContact CA-O 3.37Å; G317-K323 PolarHBondContact N-O 2.98Å
318Q84.9Confident82.5Confident69 Ų6954.3 Ų54.332%0.32229%0.292SS..  trans-71.5174.5170.7-59-53.6-59.400111.2Q316 Y320 E321Q316-Q318 PolarHBondContact O-N 2.7Å; Q316-Q318 PolarHBondContact O-NE2 3.08Å; Q318-Y320 HydrophobicContact CB-CD1 4.05Å; Q318-Y320 HydrophobicContact CB-CD2 4.3Å; Q318-Y320 HydrophobicContact CB-CE1 3.59Å; Q318-Y320 HydrophobicContact CB-CE2 3.87Å; Q318-Y320 HydrophobicContact CB-CG 4.39Å; Q318-Y320 HydrophobicContact CG-CE1 4.2Å; Q318-Y320 HydrophobicContact CG-CE2 4.33Å; Q318-Y320 PolarHBondContact O-N 3.31Å; Q318-Y320 VanDerWaalsContact O-N 3.09Å; Q318-E321 WeakPolarHBondContact CB-OE2 3.23Å; Q318-E321 WeakPolarHBondContact CG-OE2 3.47Å; Q318-E321 PolarHBondContact N-OE2 3.09Å; Q318-E321 PolarHBondContact O-N 2.9Å; Q318-E321 VanDerWaalsContact O-O 3.13Å
319Y83.7Confident84.4Confident122 Ų12251.1 Ų51.148%0.47828%0.28SS..THydrogen-bonded Turntrans-58.5-27.3-177.973.1-90.2000113.5L150 D152 K403L150-Y319 PolarHBondContact O-OH 3.45Å; L150-Y319 VanDerWaalsContact O-OH 3.09Å; D152-Y319 PolarHBondContact N-OH 3.34Å; D152-Y319 PolarHBondContact OD1-OH 3.35Å; Y319-K403 WeakPolarHBondContact O-CE 3.33Å; Y319-K403 PolarHBondContact O-NZ 3.38Å
320Y81.9Confident86.3Confident22 Ų2248.3 Ų48.39%0.08626%0.261CS..THydrogen-bonded Turntrans-89.8-7.2176.152.4-100.5000113.7L150 Q318 H341 P343 Y398L150-Y320 HydrophobicContact CB-CD1 4.16Å; L150-Y320 HydrophobicContact CB-CD2 3.9Å; L150-Y320 HydrophobicContact CB-CE1 4.18Å; L150-Y320 HydrophobicContact CB-CE2 3.93Å; L150-Y320 HydrophobicContact CB-CG 4.02Å; L150-Y320 HydrophobicContact CD1-CD2 4.49Å; L150-Y320 HydrophobicContact CD1-CE2 4.31Å; L150-Y320 HydrophobicContact CD2-CD2 3.57Å; L150-Y320 HydrophobicContact CD2-CE2 4.2Å; L150-Y320 HydrophobicContact CD2-CG 3.97Å; L150-Y320 HydrophobicContact CG-CD2 4.18Å; L150-Y320 HydrophobicContact CG-CE2 4.38Å; L150-Y320 WeakPolarHBondContact O-CD1 3.34Å; L150-Y320 WeakPolarHBondContact O-CE1 3.35Å; Q318-Y320 HydrophobicContact CB-CD1 4.05Å; Q318-Y320 HydrophobicContact CB-CD2 4.3Å; Q318-Y320 HydrophobicContact CB-CE1 3.59Å; Q318-Y320 HydrophobicContact CB-CE2 3.87Å; Q318-Y320 HydrophobicContact CB-CG 4.39Å; Q318-Y320 HydrophobicContact CG-CE1 4.2Å; Q318-Y320 HydrophobicContact CG-CE2 4.33Å; Q318-Y320 PolarHBondContact O-N 3.31Å; Q318-Y320 VanDerWaalsContact O-N 3.09Å; Y320-H341 PolarHBondContact OH-O 3.4Å; Y320-P343 HydrophobicContact CE2-CB 4.29Å; Y320-Y398 WeakPolarHBondContact O-CE1 3.12Å
321E87.9Confident87.5Confident6 Ų648.4 Ų48.43%0.02826%0.261CS..SBendtrans-103.3164.9176.3-75.2170.1120.800110.7Q318 S333 P343 Y345 Y398Q318-E321 WeakPolarHBondContact CB-OE2 3.23Å; Q318-E321 WeakPolarHBondContact CG-OE2 3.47Å; Q318-E321 PolarHBondContact N-OE2 3.09Å; Q318-E321 PolarHBondContact O-N 2.9Å; Q318-E321 VanDerWaalsContact O-O 3.13Å; E321-S333 VanDerWaalsContact OE1-CB 3.28Å; E321-S333 WeakPolarHBondContact OE1-CB 3.24Å; E321-P343 HydrophobicContact CG-CB 3.63Å; E321-P343 WeakPolarHBondContact OE1-CA 3.44Å; E321-P343 WeakPolarHBondContact OE1-CB 3.41Å; E321-Y345 PolarHBondContact OE1-OH 2.87Å; E321-Y398 HydrophobicContact CG-CD1 4.38Å
322P90.4Very high88.3Confident34 Ų3447.8 Ų47.822%0.22126%0.256CS..  trans-63140.8160.6-15.932.5000109.4G317 C324 Y398 F417G317-P322 WeakPolarHBondContact CA-O 3.37Å; P322-C324 WeakPolarHBondContact CB-O 3.34Å; P322-C324 PolarHBondContact O-N 3.29Å; P322-C324 VanDerWaalsContact O-N 3.1Å; P322-Y398 VanDerWaalsContact CD-CZ 3.48Å; P322-Y398 HydrophobicContact CG-CD2 4.26Å; P322-Y398 HydrophobicContact CG-CE1 4.26Å; P322-Y398 HydrophobicContact CG-CE2 3.63Å; P322-F417 HydrophobicContact CG-CZ 4.27Å
323K90.5Very high88.5Confident169 Ų16944.3 Ų44.374%0.73523%0.232SC*.SBendtrans-50.6-40.1-179.4-178.9-178.7177.1-1760113.1C315 G317C315-K323 CarbonylContact C-O 3.57Å; C315-K323 WeakPolarHBondContact CB-O 3.42Å; G317-K323 PolarHBondContact N-O 2.98Å
324C90.3Very high88.4Confident54 Ų5441.2 Ų41.237%0.36522%0.217SC..SBendtrans-125.5148.8176.1-60.80000108.6C315 P322C315-C324 HydrophobicContact CB-CB 3.98Å; C315-C324 WeakPolarHBondContact CB-SG 3.4Å; C315-C324 WeakPolarHBondContact SG-CB 3.4Å; C315-C324 CovalentContact SG-SG 2.02Å; C315-C324 PolarHBondContact SG-SG 2.93Å; P322-C324 WeakPolarHBondContact CB-O 3.34Å; P322-C324 PolarHBondContact O-N 3.29Å; P322-C324 VanDerWaalsContact O-N 3.1Å
325A91.2Very high88.4Confident33 Ų3341 Ų4127%0.27322%0.219SC..PPolyproline II helixtrans-58.4138.7167.200000109.8L329 Y345A325-L329 HydrophobicContact CB-CB 4.42Å; A325-L329 VanDerWaalsContact CB-O 3.28Å; A325-L329 WeakPolarHBondContact CB-O 3.25Å; A325-Y345 HydrophobicContact CB-CD1 4.04Å; A325-Y345 HydrophobicContact CB-CE1 3.79Å
326P91.2Very high87.9Confident38 Ų3840.9 Ų40.925%0.24722%0.216CC..PPolyproline II helixtrans-59.7161.8171.3-22.133.3000111.9L329 I358 F417P326-L329 WeakPolarHBondContact O-CB 3.42Å; P326-L329 PolarHBondContact O-N 3.39Å; P326-I358 HydrophobicContact CB-CD1 3.87Å; P326-I358 HydrophobicContact CG-CD1 4.13Å; P326-F417 HydrophobicContact CG-CE1 4.47Å; P326-F417 HydrophobicContact CG-CE2 3.8Å; P326-F417 HydrophobicContact CG-CZ 3.5Å; P326-F417 VanDerWaalsContact CG-CZ 3.5Å
327E87.4Confident87Confident118 Ų11843.5 Ų43.555%0.55123%0.227SC*.THydrogen-bonded Turntrans-51.2140.1171.2-158.7173.2-179.500111E303 L329 A354E303-E327 HydrophobicContact CB-CG 3.91Å; E327-L329 WeakPolarHBondContact O-CD1 3.45Å; E327-L329 PolarHBondContact O-N 3.49Å; E327-A354 WeakPolarHBondContact O-CA 3.48Å
328G89.3Confident85.8Confident6 Ų646.2 Ų46.26%0.06224%0.242CC..THydrogen-bonded Turntrans72.6-1.7-17400000116.1S347G328-S347 WeakPolarHBondContact O-CB 3.39Å
329L92.2Very high84.7Confident14 Ų1444.6 Ų44.67%0.07324%0.236CC..  trans-117147.5178.4-77.775.5000112.3A325 P326 E327 Y345 G346 A354 I358 F417A325-L329 HydrophobicContact CB-CB 4.42Å; A325-L329 VanDerWaalsContact CB-O 3.28Å; A325-L329 WeakPolarHBondContact CB-O 3.25Å; P326-L329 WeakPolarHBondContact O-CB 3.42Å; P326-L329 PolarHBondContact O-N 3.39Å; E327-L329 WeakPolarHBondContact O-CD1 3.45Å; E327-L329 PolarHBondContact O-N 3.49Å; L329-Y345 HydrophobicContact CB-CD1 4.33Å; L329-Y345 HydrophobicContact CD2-CD1 4.34Å; L329-Y345 HydrophobicContact CD2-CG 4.38Å; L329-G346 CarbonylContact C-O 3.59Å; L329-G346 VanDerWaalsContact CA-O 3.27Å; L329-G346 WeakPolarHBondContact CA-O 2.99Å; L329-A354 HydrophobicContact CD1-CB 3.44Å; L329-A354 VanDerWaalsContact CD1-CB 3.44Å; L329-I358 HydrophobicContact CD1-CD1 3.72Å; L329-I358 HydrophobicContact CD2-CD1 4.34Å; L329-F417 HydrophobicContact CD2-CB 4.45Å; L329-F417 HydrophobicContact CD2-CD1 3.38Å; L329-F417 HydrophobicContact CD2-CD2 4.16Å; L329-F417 HydrophobicContact CD2-CE1 3.48Å; L329-F417 VanDerWaalsContact CD2-CE1 3.48Å; L329-F417 HydrophobicContact CD2-CE2 4.26Å; L329-F417 HydrophobicContact CD2-CG 3.74Å; L329-F417 HydrophobicContact CD2-CZ 3.94Å
330V91.1Very high83.7Confident42 Ų4242.7 Ų42.726%0.25523%0.234SC..EExtended strand (participates in β ladder)trans-123.8128.9175.3-179.20000109.7I271 Y345 G346I271-V330 HydrophobicContact CD1-CG1 4.2Å; V330-Y345 CarbonylContact O-C 3.52Å; V330-Y345 VanDerWaalsContact O-CA 3.26Å; V330-Y345 WeakPolarHBondContact O-CA 3.23Å; V330-G346 PolarHBondContact N-O 3.17Å; V330-G346 PolarHBondContact O-N 3.1Å
331S90.7Very high83.2Confident13 Ų1344.5 Ų44.59%0.09124%0.243CC..EExtended strand (participates in β ladder)trans-78.5131.4177.6-177.40000111.9S333 P334S331-S333 PolarHBondContact OG-N 3.48Å; S331-P334 WeakPolarHBondContact OG-CD 3.46Å
332F89.4Confident82.9Confident22 Ų2245.5 Ų45.510%0.09625%0.249CC..  trans-93.7-18.4172.3-79.6-126.3000112.1I271 P334 C335 L336 L344 M393I271-F332 HydrophobicContact CG2-CD1 4.03Å; I271-F332 HydrophobicContact CG2-CD2 3.76Å; I271-F332 HydrophobicContact CG2-CE1 3.6Å; I271-F332 HydrophobicContact CG2-CE2 3.25Å; I271-F332 HydrophobicContact CG2-CG 4.1Å; I271-F332 HydrophobicContact CG2-CZ 3.17Å; F332-P334 VanDerWaalsContact C-CD 3.49Å; F332-P334 VanDerWaalsContact C-N 3.32Å; F332-C335 WeakPolarHBondContact O-CA 3.3Å; F332-C335 WeakPolarHBondContact O-CB 3.22Å; F332-C335 PolarHBondContact O-N 2.99Å; F332-L336 HydrophobicContact CB-CD1 4.06Å; F332-L336 PolarHBondContact O-N 3.32Å; F332-L344 HydrophobicContact CB-CB 3.94Å; F332-L344 WeakPolarHBondContact CB-O 3.34Å; F332-L344 PolarHBondContact N-O 2.9Å; F332-M393 HydrophobicContact CE1-CE 4.48Å; F332-M393 HydrophobicContact CE2-CE 3.29Å; F332-M393 HydrophobicContact CZ-CE 3.17Å; F332-M393 HydrophobicContact CZ-SD 3.97Å
333S85.6Confident82.8Confident1 Ų143.9 Ų43.91%0.00724%0.238CC..G310 helixtrans-48.9-44.6-174.1174.30000113.4E321 S331 C335 L336 L342E321-S333 VanDerWaalsContact OE1-CB 3.28Å; E321-S333 WeakPolarHBondContact OE1-CB 3.24Å; S331-S333 PolarHBondContact OG-N 3.48Å; S333-C335 VanDerWaalsContact C-N 3.25Å; S333-C335 PolarHBondContact O-N 2.73Å; S333-L336 CarbonylContact O-C 3.51Å; S333-L336 PolarHBondContact O-N 2.76Å; S333-L342 WeakPolarHBondContact CA-O 3.1Å
334P85.9Confident82.9Confident2 Ų236.5 Ų36.51%0.01321%0.206CC..G310 helixtrans-65.7-23.1177.7-26.240.2000114.6Q237 W238 Q316 S331 F332 K337Q237-P334 WeakPolarHBondContact CB-O 3.42Å; Q237-P334 VanDerWaalsContact CG-O 3.28Å; Q237-P334 WeakPolarHBondContact CG-O 3.46Å; W238-P334 HydrophobicContact CD2-CB 4.17Å; W238-P334 HydrophobicContact CE3-CB 4Å; W238-P334 HydrophobicContact CE3-CG 3.95Å; W238-P334 HydrophobicContact CH2-CB 4.01Å; W238-P334 HydrophobicContact CH2-CG 3.73Å; W238-P334 HydrophobicContact CZ2-CB 4.18Å; W238-P334 HydrophobicContact CZ2-CG 4.39Å; W238-P334 HydrophobicContact CZ3-CB 3.93Å; W238-P334 HydrophobicContact CZ3-CG 3.49Å; W238-P334 VanDerWaalsContact CZ3-CG 3.49Å; Q316-P334 HydrophobicContact CB-CG 4.18Å; S331-P334 WeakPolarHBondContact OG-CD 3.46Å; F332-P334 VanDerWaalsContact C-CD 3.49Å; F332-P334 VanDerWaalsContact C-N 3.32Å; P334-K337 WeakPolarHBondContact O-CG 3.26Å
335C86.8Confident83.1Confident21 Ų2134 Ų3414%0.14219%0.189CC..G310 helixtrans-82-22.7174.6-1610000112P269 C272 F332 S333P269-C335 PolarHBondContact O-SG 2.75Å; C272-C335 HydrophobicContact CB-CB 3.58Å; C272-C335 WeakPolarHBondContact CB-SG 3.26Å; C272-C335 PolarHBondContact N-SG 3.33Å; C272-C335 WeakPolarHBondContact SG-CA 3.35Å; C272-C335 WeakPolarHBondContact SG-CB 3.4Å; C272-C335 CovalentContact SG-SG 2.04Å; C272-C335 PolarHBondContact SG-SG 3.3Å; F332-C335 WeakPolarHBondContact O-CA 3.3Å; F332-C335 WeakPolarHBondContact O-CB 3.22Å; F332-C335 PolarHBondContact O-N 2.99Å; S333-C335 VanDerWaalsContact C-N 3.25Å; S333-C335 PolarHBondContact O-N 2.73Å
336L80.9Confident83.2Confident27 Ų2732.5 Ų32.514%0.14118%0.177CC..  trans-103.125.9-175.4-58.9177.7000113.5F332 S333 S338 D339 H341 L344F332-L336 HydrophobicContact CB-CD1 4.06Å; F332-L336 PolarHBondContact O-N 3.32Å; S333-L336 CarbonylContact O-C 3.51Å; S333-L336 PolarHBondContact O-N 2.76Å; L336-S338 PolarHBondContact O-N 2.82Å; L336-S338 VanDerWaalsContact O-N 3.14Å; L336-D339 HydrophobicContact CB-CB 4.47Å; L336-D339 CarbonylContact O-C 3.5Å; L336-D339 WeakPolarHBondContact O-CA 3.37Å; L336-D339 PolarHBondContact O-N 3.16Å; L336-H341 PolarHBondContact O-N 3.46Å; L336-L344 HydrophobicContact CD1-CB 4.31Å; L336-L344 HydrophobicContact CD1-CD1 3.71Å; L336-L344 HydrophobicContact CD1-CG 4.31Å
337K67.8Low83.3Confident75 Ų7531 Ų3133%0.32617%0.168SC..G310 helixtrans-53.9-37.6-179.1-61.7-165.8179.1171.90113.6Q237 P334 D339 H341Q237-K337 WeakPolarHBondContact O-CE 3.29Å; Q237-K337 PolarHBondContact O-NZ 2.87Å; P334-K337 WeakPolarHBondContact O-CG 3.26Å; K337-D339 VanDerWaalsContact C-N 3.25Å; K337-D339 PolarHBondContact O-N 2.87Å; K337-H341 WeakPolarHBondContact CB-NE2 3.33Å; K337-H341 VanDerWaalsContact CG-NE2 3.32Å; K337-H341 WeakPolarHBondContact CG-NE2 3.11Å; K337-H341 PolarHBondContact O-CE1 3.28Å; K337-H341 PolarHBondContact O-ND1 2.8Å
338S62.9Low83.7Confident82 Ų8227.6 Ų27.657%0.57316%0.156SC*.G310 helixtrans-70.6-18.2177.643.20000114R202 L336R202-S338 VanDerWaalsContact CZ-OG 3.28Å; R202-S338 PolarHBondContact NH1-OG 2.82Å; R202-S338 VanDerWaalsContact NH1-OG 3.08Å; R202-S338 PolarHBondContact NH2-OG 3.4Å; L336-S338 PolarHBondContact O-N 2.82Å; L336-S338 VanDerWaalsContact O-N 3.14Å
339D62.4Low84Confident35 Ų3527.3 Ų27.319%0.18715%0.153CC..G310 helixtrans-10240.6178.8-61-38000110.8R202 L336 K337 H341 L342R202-D339 IonicContact CZ-OD1 3.82Å; R202-D339 IonicContact CZ-OD2 2.92Å; R202-D339 IonicContact NE-OD1 2.77Å; R202-D339 IonicContact NE-OD2 3.31Å; R202-D339 PolarHBondContact NE-OD2 2.72Å; R202-D339 IonicContact NH2-OD1 3.71Å; R202-D339 PolarHBondContact NH2-OD1 3.22Å; R202-D339 IonicContact NH2-OD2 2.65Å; R202-D339 PolarHBondContact NH2-OD2 2.62Å; L336-D339 HydrophobicContact CB-CB 4.47Å; L336-D339 CarbonylContact O-C 3.5Å; L336-D339 WeakPolarHBondContact O-CA 3.37Å; L336-D339 PolarHBondContact O-N 3.16Å; K337-D339 VanDerWaalsContact C-N 3.25Å; K337-D339 PolarHBondContact O-N 2.87Å; D339-H341 PolarHBondContact O-N 2.99Å; D339-L342 WeakPolarHBondContact O-CG 3.32Å
340N63Low84.2Confident83 Ų8327.3 Ų27.344%0.44415%0.152SC..THydrogen-bonded Turntrans59.425.1-178.7-64.5-37.1000115.1
341H69.7Low84.4Confident59 Ų5925.6 Ų25.627%0.27314%0.142SC..THydrogen-bonded Turntrans56.852.3177.3-57.576.8000113.2Y320 L336 K337 D339Y320-H341 PolarHBondContact OH-O 3.4Å; L336-H341 PolarHBondContact O-N 3.46Å; K337-H341 WeakPolarHBondContact CB-NE2 3.33Å; K337-H341 VanDerWaalsContact CG-NE2 3.32Å; K337-H341 WeakPolarHBondContact CG-NE2 3.11Å; K337-H341 PolarHBondContact O-CE1 3.28Å; K337-H341 PolarHBondContact O-ND1 2.8Å; D339-H341 PolarHBondContact O-N 2.99Å
342L83Confident84.6Confident28 Ų2825.4 Ų25.415%0.14714%0.142CC..  trans-58.6128.4173.9-61.1177.7000110.1S333 D339 L344 F397S333-L342 WeakPolarHBondContact CA-O 3.1Å; D339-L342 WeakPolarHBondContact O-CG 3.32Å; L342-L344 HydrophobicContact CB-CD1 4.38Å; L342-L344 HydrophobicContact CB-CG 4.05Å; L342-L344 PolarHBondContact O-N 3.11Å; L342-F397 HydrophobicContact CB-CE2 4.37Å; L342-F397 HydrophobicContact CD2-CE2 4.14Å
343P88.5Confident84.6Confident0 Ų026.9 Ų26.90%016%0.164CC..  trans-82.763.3-176.938.1-40.4000109.2L150 Y320 E321 Y345 F397 Y398L150-P343 HydrophobicContact CD1-CB 4.41Å; L150-P343 HydrophobicContact CD1-CG 3.19Å; L150-P343 HydrophobicContact CD2-CG 4.12Å; L150-P343 HydrophobicContact CG-CG 4.27Å; Y320-P343 HydrophobicContact CE2-CB 4.29Å; E321-P343 HydrophobicContact CG-CB 3.63Å; E321-P343 WeakPolarHBondContact OE1-CA 3.44Å; E321-P343 WeakPolarHBondContact OE1-CB 3.41Å; P343-Y345 HydrophobicContact CB-CE2 4.23Å; P343-Y345 VanDerWaalsContact O-CD2 3.3Å; P343-Y345 WeakPolarHBondContact O-CD2 3.39Å; P343-F397 HydrophobicContact CG-CD1 4.23Å; P343-F397 HydrophobicContact CG-CE1 3.73Å; P343-F397 HydrophobicContact CG-CE2 4.41Å; P343-F397 HydrophobicContact CG-CZ 3.82Å; P343-Y398 WeakPolarHBondContact CG-O 3.31Å; P343-Y398 PolarHBondContact O-N 3.09Å
344L91.7Very high84.9Confident13 Ų1327.5 Ų27.57%0.06817%0.168CC..EExtended strand (participates in β ladder)trans-82.8139.3174.8-66.3-178.8000109.1F332 L336 L342 I395 S396 F397 I420F332-L344 HydrophobicContact CB-CB 3.94Å; F332-L344 WeakPolarHBondContact CB-O 3.34Å; F332-L344 PolarHBondContact N-O 2.9Å; L336-L344 HydrophobicContact CD1-CB 4.31Å; L336-L344 HydrophobicContact CD1-CD1 3.71Å; L336-L344 HydrophobicContact CD1-CG 4.31Å; L342-L344 HydrophobicContact CB-CD1 4.38Å; L342-L344 HydrophobicContact CB-CG 4.05Å; L342-L344 PolarHBondContact O-N 3.11Å; L344-I395 HydrophobicContact CB-CG2 4.28Å; L344-I395 HydrophobicContact CD1-CG2 4.35Å; L344-I395 HydrophobicContact CD2-CG2 4.03Å; L344-I395 HydrophobicContact CG-CG2 4.46Å; L344-S396 CarbonylContact C-O 3.58Å; L344-S396 WeakPolarHBondContact CA-O 3.41Å; L344-F397 HydrophobicContact CD2-CB 4.2Å; L344-F397 HydrophobicContact CD2-CD2 3.57Å; L344-F397 HydrophobicContact CD2-CE2 4.39Å; L344-F397 HydrophobicContact CD2-CG 4.26Å; L344-I420 HydrophobicContact CD2-CD1 3.78Å
345Y93.8Very high85.2Confident2 Ų230.4 Ų30.41%0.00818%0.184CC..EExtended strand (participates in β ladder)trans-127.6138.3177.7-70.3-100.1000109.6E321 A325 L329 V330 P343 I395 S396 Y398 F417E321-Y345 PolarHBondContact OE1-OH 2.87Å; A325-Y345 HydrophobicContact CB-CD1 4.04Å; A325-Y345 HydrophobicContact CB-CE1 3.79Å; L329-Y345 HydrophobicContact CB-CD1 4.33Å; L329-Y345 HydrophobicContact CD2-CD1 4.34Å; L329-Y345 HydrophobicContact CD2-CG 4.38Å; V330-Y345 CarbonylContact O-C 3.52Å; V330-Y345 VanDerWaalsContact O-CA 3.26Å; V330-Y345 WeakPolarHBondContact O-CA 3.23Å; P343-Y345 HydrophobicContact CB-CE2 4.23Å; P343-Y345 VanDerWaalsContact O-CD2 3.3Å; P343-Y345 WeakPolarHBondContact O-CD2 3.39Å; Y345-I395 CarbonylContact O-C 3.58Å; Y345-I395 WeakPolarHBondContact O-CA 3.45Å; Y345-S396 PolarHBondContact N-O 3.04Å; Y345-S396 PolarHBondContact O-N 2.7Å; Y345-Y398 VanDerWaalsContact CE2-CB 3.48Å; Y345-Y398 HydrophobicContact CE2-CG 4.19Å; Y345-F417 HydrophobicContact CD1-CD1 4.49Å; Y345-F417 AromaticContact CD1-CE1 3.84Å; Y345-F417 HydrophobicContact CD1-CE1 3.84Å; Y345-F417 AromaticContact CD2-CD1 3.9Å; Y345-F417 HydrophobicContact CD2-CD1 3.9Å; Y345-F417 AromaticContact CD2-CE1 3.68Å; Y345-F417 HydrophobicContact CD2-CE1 3.68Å; Y345-F417 HydrophobicContact CE1-CE1 4.04Å; Y345-F417 HydrophobicContact CE2-CD1 4.49Å; Y345-F417 AromaticContact CE2-CE1 3.9Å; Y345-F417 HydrophobicContact CE2-CE1 3.9Å; Y345-F417 AromaticContact CG-CD1 3.9Å; Y345-F417 HydrophobicContact CG-CD1 3.9Å; Y345-F417 AromaticContact CG-CE1 3.65Å; Y345-F417 HydrophobicContact CG-CE1 3.65Å
346G93.5Very high85.6Confident2 Ų233.1 Ų33.12%0.02120%0.201CC..EExtended strand (participates in β ladder)trans-98.3143.517200000111.6L329 V330 Q394L329-G346 CarbonylContact C-O 3.59Å; L329-G346 VanDerWaalsContact CA-O 3.27Å; L329-G346 WeakPolarHBondContact CA-O 2.99Å; V330-G346 PolarHBondContact N-O 3.17Å; V330-G346 PolarHBondContact O-N 3.1Å; G346-Q394 CarbonylContact C-O 3.6Å; G346-Q394 VanDerWaalsContact CA-O 3.23Å; G346-Q394 WeakPolarHBondContact CA-O 3.33Å
347S94.6Very high86.3Confident7 Ų739 Ų395%0.04923%0.225CC..EExtended strand (participates in β ladder)trans-141.3168.7164.465.20000109.3G328 M393 Q394G328-S347 WeakPolarHBondContact O-CB 3.39Å; S347-M393 CarbonylContact O-C 3.54Å; S347-M393 WeakPolarHBondContact O-CA 3.27Å; S347-Q394 PolarHBondContact N-O 2.7Å; S347-Q394 PolarHBondContact O-N 3Å
348P94.8Very high87.6Confident46 Ų4636 Ų3630%0.29921%0.213SC..SBendtrans-51.2162.1154.7-2635.4000112F351 G352 D373P348-F351 PolarHBondContact O-N 2.98Å; P348-G352 WeakPolarHBondContact CB-O 3.08Å; P348-G352 VanDerWaalsContact CD-O 3.23Å; P348-G352 WeakPolarHBondContact CD-O 3.39Å; P348-G352 VanDerWaalsContact CG-O 3.24Å; P348-G352 WeakPolarHBondContact CG-O 3.32Å; P348-D373 WeakPolarHBondContact CB-O 3.33Å
349G95.6Very high89.2Confident0 Ų033.8 Ų33.80%019%0.192CC..G310 helixtrans-55.8146.2-179.800000112.9F351 G352 D373G349-F351 PolarHBondContact O-N 3.38Å; G349-G352 PolarHBondContact O-N 2.86Å; G349-D373 WeakPolarHBondContact CA-OD1 3.36Å
350H96.8Very high90.9Very high13 Ų1336.2 Ų36.26%0.0621%0.205CC..G310 helixtrans54.126.8-178.3-52.1114.3000115.1E88 I365 S366 P368 D373E88-H350 IonicContact OE1-NE2 3.09Å; E88-H350 IonicContact OE2-NE2 3.52Å; E88-H350 PolarHBondContact OE2-NE2 3.02Å; H350-I365 HydrophobicContact CB-CG2 4.19Å; H350-S366 PolarHBondContact CD2-OG 2.59Å; H350-S366 VanDerWaalsContact CD2-OG 3.25Å; H350-S366 PolarHBondContact CE1-OG 3.37Å; H350-S366 PolarHBondContact NE2-OG 3.39Å; H350-S366 VanDerWaalsContact NE2-OG 3.15Å; H350-P368 HydrophobicContact CB-CG 4.32Å; H350-D373 IonicContact CE1-OD1 3.99Å; H350-D373 IonicContact CE1-OD2 2.76Å; H350-D373 IonicContact CG-OD2 3.51Å; H350-D373 IonicContact ND1-OD1 3.06Å; H350-D373 PolarHBondContact ND1-OD1 3.32Å; H350-D373 IonicContact ND1-OD2 2.86Å; H350-D373 PolarHBondContact ND1-OD2 3.42Å
351F96Very high92.4Very high6 Ų635 Ų353%0.02620%0.197CC..G310 helixtrans63.633.8-172.9-52.1-80.5000114.1P348 G349 G353 A354 I358 R359 F362 I365 Q394 S396 F417 P419P348-F351 PolarHBondContact O-N 2.98Å; G349-F351 PolarHBondContact O-N 3.38Å; F351-G353 PolarHBondContact O-N 3.05Å; F351-A354 HydrophobicContact CB-CB 3.98Å; F351-A354 VanDerWaalsContact O-CB 3.27Å; F351-A354 WeakPolarHBondContact O-CB 3.27Å; F351-A354 PolarHBondContact O-N 3.47Å; F351-I358 HydrophobicContact CD1-CG2 3.85Å; F351-I358 HydrophobicContact CE1-CG2 3.86Å; F351-I358 HydrophobicContact CG-CG2 4.34Å; F351-I358 HydrophobicContact CZ-CG2 4.36Å; F351-R359 HydrophobicContact CB-CB 4.32Å; F351-R359 HydrophobicContact CD2-CB 3.95Å; F351-R359 HydrophobicContact CD2-CG 4.09Å; F351-R359 HydrophobicContact CG-CB 4.46Å; F351-F362 AromaticContact CE2-CD2 4Å; F351-F362 HydrophobicContact CE2-CD2 4Å; F351-F362 HydrophobicContact CE2-CE2 4.02Å; F351-F362 HydrophobicContact CZ-CD2 4.34Å; F351-F362 AromaticContact CZ-CE2 3.89Å; F351-F362 HydrophobicContact CZ-CE2 3.89Å; F351-I365 HydrophobicContact CD2-CD1 4.43Å; F351-I365 HydrophobicContact CD2-CG2 4.38Å; F351-I365 HydrophobicContact CE2-CD1 3.67Å; F351-Q394 VanDerWaalsContact CE1-NE2 3.28Å; F351-Q394 VanDerWaalsContact CE2-NE2 3.32Å; F351-S396 WeakPolarHBondContact CE1-OG 3.32Å; F351-F417 HydrophobicContact CE1-CB 4.17Å; F351-F417 WeakPolarHBondContact CZ-O 3.38Å; F351-P419 HydrophobicContact CZ-CB 4.19Å
352G93.4Very high93.8Very high9 Ų932.7 Ų32.79%0.09319%0.186CC..THydrogen-bonded Turntrans-53133.7172.700000112.4P348 G349 A354P348-G352 WeakPolarHBondContact CB-O 3.08Å; P348-G352 VanDerWaalsContact CD-O 3.23Å; P348-G352 WeakPolarHBondContact CD-O 3.39Å; P348-G352 VanDerWaalsContact CG-O 3.24Å; P348-G352 WeakPolarHBondContact CG-O 3.32Å; G349-G352 PolarHBondContact O-N 2.86Å; G352-A354 PolarHBondContact O-N 3.45Å
353G89.4Confident94.5Very high54 Ų5434.9 Ų34.956%0.55720%0.198SC*.THydrogen-bonded Turntrans78.4-13.6-176.300000115.4F351F351-G353 PolarHBondContact O-N 3.05Å
354A92Very high94.9Very high13 Ų1337.4 Ų37.411%0.10722%0.224CC..SBendtrans-78.1159.9179.400000113E327 L329 F351 G352 P356 I358E327-A354 WeakPolarHBondContact O-CA 3.48Å; L329-A354 HydrophobicContact CD1-CB 3.44Å; L329-A354 VanDerWaalsContact CD1-CB 3.44Å; F351-A354 HydrophobicContact CB-CB 3.98Å; F351-A354 VanDerWaalsContact O-CB 3.27Å; F351-A354 WeakPolarHBondContact O-CB 3.27Å; F351-A354 PolarHBondContact O-N 3.47Å; G352-A354 PolarHBondContact O-N 3.45Å; A354-P356 WeakPolarHBondContact O-CD 3.1Å; A354-P356 VanDerWaalsContact O-N 3.17Å; A354-I358 HydrophobicContact CB-CD1 4.35Å
355D93.1Very high95.1Very high64 Ų6437.5 Ų37.534%0.34223%0.225SC..  trans-53.8123.7169.1-176.4-31.3000109K357 I358D355-K357 PolarHBondContact O-N 2.66Å; D355-K357 VanDerWaalsContact OD1-CB 3.28Å; D355-K357 WeakPolarHBondContact OD1-CB 2.9Å; D355-K357 VanDerWaalsContact OD1-CG 3.28Å; D355-K357 WeakPolarHBondContact OD1-CG 3.3Å; D355-K357 PolarHBondContact OD1-N 2.77Å; D355-I358 WeakPolarHBondContact O-CB 3.35Å; D355-I358 PolarHBondContact O-N 3.45Å
356P94.8Very high95.1Very high78 Ų7840.4 Ų40.451%0.50625%0.245SC..Hα-helixtrans-52.7-24.9-179.9-28.735.3000114.2A354 I358 R359 N360A354-P356 WeakPolarHBondContact O-CD 3.1Å; A354-P356 VanDerWaalsContact O-N 3.17Å; P356-I358 PolarHBondContact O-N 2.96Å; P356-R359 PolarHBondContact O-N 2.85Å; P356-N360 WeakPolarHBondContact O-CB 3.41Å; P356-N360 PolarHBondContact O-N 3.12Å; P356-N360 PolarHBondContact O-ND2 3.08Å; P356-N360 VanDerWaalsContact O-ND2 3.1Å
357K95.4Very high95.2Very high149 Ų14946.1 Ų46.165%0.64827%0.271SS*.Hα-helixtrans-56.7-32.8173.8-70.1173.3-171.9162.80112.9D355 Q361D355-K357 PolarHBondContact O-N 2.66Å; D355-K357 VanDerWaalsContact OD1-CB 3.28Å; D355-K357 WeakPolarHBondContact OD1-CB 2.9Å; D355-K357 VanDerWaalsContact OD1-CG 3.28Å; D355-K357 WeakPolarHBondContact OD1-CG 3.3Å; D355-K357 PolarHBondContact OD1-N 2.77Å; K357-Q361 WeakPolarHBondContact O-CG 3.29Å; K357-Q361 PolarHBondContact O-N 3.28Å
358I96.1Very high95.2Very high14 Ų1448.1 Ų48.17%0.07228%0.284CS..Hα-helixtrans-66.4-52.4178.5-64.2174.6000109.8P326 L329 F351 A354 D355 P356 N360 Q361 F362 F417P326-I358 HydrophobicContact CB-CD1 3.87Å; P326-I358 HydrophobicContact CG-CD1 4.13Å; L329-I358 HydrophobicContact CD1-CD1 3.72Å; L329-I358 HydrophobicContact CD2-CD1 4.34Å; F351-I358 HydrophobicContact CD1-CG2 3.85Å; F351-I358 HydrophobicContact CE1-CG2 3.86Å; F351-I358 HydrophobicContact CG-CG2 4.34Å; F351-I358 HydrophobicContact CZ-CG2 4.36Å; A354-I358 HydrophobicContact CB-CD1 4.35Å; D355-I358 WeakPolarHBondContact O-CB 3.35Å; D355-I358 PolarHBondContact O-N 3.45Å; P356-I358 PolarHBondContact O-N 2.96Å; I358-N360 PolarHBondContact O-N 3.46Å; I358-Q361 WeakPolarHBondContact O-CB 3.47Å; I358-Q361 PolarHBondContact O-N 2.79Å; I358-F362 WeakPolarHBondContact O-CE2 3.22Å; I358-F417 HydrophobicContact CD1-CD2 4.14Å; I358-F417 HydrophobicContact CD1-CE2 4.11Å; I358-F417 HydrophobicContact CG1-CD2 4.23Å; I358-F417 HydrophobicContact CG1-CE2 4.43Å; I358-F417 HydrophobicContact CG2-CB 4.05Å; I358-F417 HydrophobicContact CG2-CD2 3.87Å; I358-F417 HydrophobicContact CG2-CG 4.29Å
359R96.5Very high95.1Very high34 Ų3449.5 Ų49.513%0.12829%0.289CS..Hα-helixtrans-65.3-40.5177.9-173.8-176.460.182.94.9112.2F351 P356 Q361 F362 I365 S366 E367F351-R359 HydrophobicContact CB-CB 4.32Å; F351-R359 HydrophobicContact CD2-CB 3.95Å; F351-R359 HydrophobicContact CD2-CG 4.09Å; F351-R359 HydrophobicContact CG-CB 4.46Å; P356-R359 PolarHBondContact O-N 2.85Å; R359-Q361 PolarHBondContact O-N 2.95Å; R359-F362 PolarHBondContact O-N 3.09Å; R359-I365 HydrophobicContact CG-CB 4.29Å; R359-I365 HydrophobicContact CG-CG2 4.07Å; R359-S366 WeakPolarHBondContact CD-O 3.44Å; R359-E367 IonicContact CZ-OE1 3.65Å; R359-E367 IonicContact CZ-OE2 2.75Å; R359-E367 IonicContact NE-OE2 3.88Å; R359-E367 IonicContact NH1-OE1 3.34Å; R359-E367 PolarHBondContact NH1-OE1 3.12Å; R359-E367 IonicContact NH1-OE2 3.83Å; R359-E367 IonicContact NH2-OE1 3.95Å; R359-E367 PolarHBondContact NH2-OE1 3.32Å; R359-E367 IonicContact NH2-OE2 3.62Å; R359-E367 PolarHBondContact NH2-OE2 3.32Å
360N96.4Very high94.6Very high86 Ų8656.4 Ų56.446%0.4632%0.321SS..Hα-helixtrans-63.8-12.8-177.6-75.2-26.3000113.9K83 P356 I358 F362K83-N360 WeakPolarHBondContact CE-O 3.5Å; K83-N360 PolarHBondContact NZ-O 3.12Å; P356-N360 WeakPolarHBondContact O-CB 3.41Å; P356-N360 PolarHBondContact O-N 3.12Å; P356-N360 PolarHBondContact O-ND2 3.08Å; P356-N360 VanDerWaalsContact O-ND2 3.1Å; I358-N360 PolarHBondContact O-N 3.46Å; N360-F362 PolarHBondContact O-N 2.93Å
361Q96.1Very high94.1Very high59 Ų5960.9 Ų60.928%0.27635%0.35SS..THydrogen-bonded Turntrans-69.3-14.8170.4-76.2178.2200113.6K83 K357 I358 R359 P415 Y416K83-Q361 WeakPolarHBondContact CE-O 3.48Å; K83-Q361 WeakPolarHBondContact CG-O 3.42Å; K357-Q361 WeakPolarHBondContact O-CG 3.29Å; K357-Q361 PolarHBondContact O-N 3.28Å; I358-Q361 WeakPolarHBondContact O-CB 3.47Å; I358-Q361 PolarHBondContact O-N 2.79Å; R359-Q361 PolarHBondContact O-N 2.95Å; Q361-P415 PolarHBondContact NE2-O 3.41Å; Q361-P415 PolarHBondContact OE1-O 3.29Å; Q361-P415 VanDerWaalsContact OE1-O 3.04Å; Q361-Y416 HydrophobicContact CB-CD1 4.04Å; Q361-Y416 HydrophobicContact CB-CE1 3.91Å; Q361-Y416 HydrophobicContact CG-CD1 4.47Å; Q361-Y416 HydrophobicContact CG-CE1 4.38Å
362F97.5Very high93.8Very high9 Ų965.1 Ų65.14%0.03937%0.372CS..SBendtrans-116.8154.3-177.4-49.4-66.4000111.5K83 P84 F86 F351 I358 R359 N360 I365 Y416 F417 F418K83-F362 VanDerWaalsContact CE-C 3.41Å; K83-F362 WeakPolarHBondContact CE-O 3.38Å; K83-F362 PolarHBondContact NZ-O 3.46Å; P84-F362 HydrophobicContact CB-CD1 3.98Å; P84-F362 HydrophobicContact CG-CD1 3.97Å; P84-F362 HydrophobicContact CG-CE1 4.19Å; F86-F362 HydrophobicContact CD2-CB 4.33Å; F86-F362 HydrophobicContact CD2-CD1 4.2Å; F86-F362 HydrophobicContact CD2-CG 4.42Å; F86-F362 AromaticContact CE2-CD1 3.82Å; F86-F362 HydrophobicContact CE2-CD1 3.82Å; F86-F362 HydrophobicContact CE2-CE1 4.25Å; F86-F362 HydrophobicContact CE2-CG 4.43Å; F351-F362 AromaticContact CE2-CD2 4Å; F351-F362 HydrophobicContact CE2-CD2 4Å; F351-F362 HydrophobicContact CE2-CE2 4.02Å; F351-F362 HydrophobicContact CZ-CD2 4.34Å; F351-F362 AromaticContact CZ-CE2 3.89Å; F351-F362 HydrophobicContact CZ-CE2 3.89Å; I358-F362 WeakPolarHBondContact O-CE2 3.22Å; R359-F362 PolarHBondContact O-N 3.09Å; N360-F362 PolarHBondContact O-N 2.93Å; F362-I365 HydrophobicContact CB-CD1 3.47Å; F362-I365 VanDerWaalsContact CB-CD1 3.47Å; F362-I365 HydrophobicContact CB-CG1 3.94Å; F362-I365 HydrophobicContact CD2-CD1 3.58Å; F362-I365 HydrophobicContact CG-CD1 3.7Å; F362-Y416 AromaticContact CE1-CD1 3.58Å; F362-Y416 HydrophobicContact CE1-CD1 3.58Å; F362-Y416 HydrophobicContact CE1-CE1 4.07Å; F362-Y416 HydrophobicContact CE1-CG 4.29Å; F362-Y416 AromaticContact CZ-CD1 3.8Å; F362-Y416 HydrophobicContact CZ-CD1 3.8Å; F362-Y416 HydrophobicContact CZ-CG 4.45Å; F362-F417 WeakPolarHBondContact CE2-O 3.45Å; F362-F417 WeakPolarHBondContact CZ-O 2.97Å; F362-F418 HydrophobicContact CE1-CD1 4.36Å; F362-F418 HydrophobicContact CE1-CE1 4.42Å
363N97.9Very high93.9Very high74 Ų7464.9 Ų64.940%0.39637%0.369SS..BIsolated β-bridgetrans-105.2150.6165-72.1-20.5000108.9K83 P84 L85 F86 I365K83-N363 WeakPolarHBondContact CD-OD1 3.26Å; K83-N363 WeakPolarHBondContact CE-OD1 3.41Å; K83-N363 PolarHBondContact NZ-OD1 3.13Å; P84-N363 PolarHBondContact O-N 2.92Å; L85-N363 HydrophobicContact CB-CB 4.4Å; L85-N363 HydrophobicContact CD1-CB 3.55Å; F86-N363 PolarHBondContact N-O 3.27Å; N363-I365 VanDerWaalsContact C-N 3.32Å; N363-I365 PolarHBondContact O-N 3.01Å
364G96.9Very high94Very high54 Ų5465.8 Ų65.856%0.55736%0.358SS*.SBendtrans81.54.9175.400000115.6F86F86-G364 VanDerWaalsContact O-CA 3.32Å; F86-G364 WeakPolarHBondContact O-CA 3.28Å
365I96.5Very high94.1Very high14 Ų1466.7 Ų66.77%0.07236%0.362CS..PPolyproline II helixtrans-93.4118.6167-51.3-176000107.9F86 H350 F351 R359 F362 N363 P419F86-I365 HydrophobicContact CB-CG1 4.39Å; F86-I365 HydrophobicContact CD2-CD1 4.38Å; H350-I365 HydrophobicContact CB-CG2 4.19Å; F351-I365 HydrophobicContact CD2-CD1 4.43Å; F351-I365 HydrophobicContact CD2-CG2 4.38Å; F351-I365 HydrophobicContact CE2-CD1 3.67Å; R359-I365 HydrophobicContact CG-CB 4.29Å; R359-I365 HydrophobicContact CG-CG2 4.07Å; F362-I365 HydrophobicContact CB-CD1 3.47Å; F362-I365 VanDerWaalsContact CB-CD1 3.47Å; F362-I365 HydrophobicContact CB-CG1 3.94Å; F362-I365 HydrophobicContact CD2-CD1 3.58Å; F362-I365 HydrophobicContact CG-CD1 3.7Å; N363-I365 VanDerWaalsContact C-N 3.32Å; N363-I365 PolarHBondContact O-N 3.01Å; I365-P419 HydrophobicContact CD1-CG 3.82Å
366S94.8Very high94.3Very high63 Ų6364.4 Ų64.444%0.44135%0.35SS..PPolyproline II helixtrans-62.2163.9178.136.50000112.5H350 R359H350-S366 PolarHBondContact CD2-OG 2.59Å; H350-S366 VanDerWaalsContact CD2-OG 3.25Å; H350-S366 PolarHBondContact CE1-OG 3.37Å; H350-S366 PolarHBondContact NE2-OG 3.39Å; H350-S366 VanDerWaalsContact NE2-OG 3.15Å; R359-S366 WeakPolarHBondContact CD-O 3.44Å
367E94.8Very high94.5Very high122 Ų12261.7 Ų61.757%0.5733%0.331SS*.PPolyproline II helixtrans-63.3146.4164.9-63.2-62.415400109.8R359R359-E367 IonicContact CZ-OE1 3.65Å; R359-E367 IonicContact CZ-OE2 2.75Å; R359-E367 IonicContact NE-OE2 3.88Å; R359-E367 IonicContact NH1-OE1 3.34Å; R359-E367 PolarHBondContact NH1-OE1 3.12Å; R359-E367 IonicContact NH1-OE2 3.83Å; R359-E367 IonicContact NH2-OE1 3.95Å; R359-E367 PolarHBondContact NH2-OE1 3.32Å; R359-E367 IonicContact NH2-OE2 3.62Å; R359-E367 PolarHBondContact NH2-OE2 3.32Å
368P94.3Very high94.6Very high50 Ų5056.3 Ų56.333%0.32531%0.307SS..PPolyproline II helixtrans-58.5135.6173.1-21.231.1000112.3H350 D373H350-P368 HydrophobicContact CB-CG 4.32Å; P368-D373 WeakPolarHBondContact CA-OD2 3.21Å
369D92.1Very high94.7Very high74 Ų7455.7 Ų55.740%0.39630%0.304SS..PPolyproline II helixtrans-97.2133176.7-177.1-91.9000111.5V371 D372 D373D369-V371 PolarHBondContact O-N 3.17Å; D369-V371 WeakPolarHBondContact OD1-CA 3.45Å; D369-V371 VanDerWaalsContact OD1-CB 3.32Å; D369-V371 WeakPolarHBondContact OD1-CB 3.27Å; D369-V371 PolarHBondContact OD1-N 2.78Å; D369-D372 HydrophobicContact CB-CB 4.24Å; D369-D372 PolarHBondContact OD1-N 3.49Å; D369-D373 PolarHBondContact N-OD2 2.99Å; D369-D373 WeakPolarHBondContact O-CB 3.21Å; D369-D373 PolarHBondContact O-N 2.94Å
370E85.8Confident94.7Very high145 Ų14554.1 Ų54.168%0.67830%0.298SS*.THydrogen-bonded Turntrans-68.9-14.8-176.3-71.8-158.9-164.600114.6K374E370-K374 WeakPolarHBondContact O-CD 3.47Å; E370-K374 VanDerWaalsContact O-CG 3.27Å; E370-K374 WeakPolarHBondContact O-CG 3.33Å; E370-K374 IonicContact OE2-NZ 3.98Å; E370-K374 PolarHBondContact OE2-NZ 3.21Å
371V87.1Confident94.8Very high108 Ų10851.3 Ų51.366%0.65528%0.284SS*.THydrogen-bonded Turntrans-101.1-50.9179.6-176.50000110D369 H390D369-V371 PolarHBondContact O-N 3.17Å; D369-V371 WeakPolarHBondContact OD1-CA 3.45Å; D369-V371 VanDerWaalsContact OD1-CB 3.32Å; D369-V371 WeakPolarHBondContact OD1-CB 3.27Å; D369-V371 PolarHBondContact OD1-N 2.78Å; V371-H390 PolarHBondContact O-NE2 2.85Å
372D90.1Very high94.7Very high94 Ų9449.6 Ų49.650%0.50328%0.277SS..THydrogen-bonded Turntrans-80.6-29.7-172.2-71.8-22.4000113D369 H390 S392D369-D372 HydrophobicContact CB-CB 4.24Å; D369-D372 PolarHBondContact OD1-N 3.49Å; D372-H390 PolarHBondContact O-NE2 3.05Å; D372-H390 VanDerWaalsContact O-NE2 3.12Å; D372-S392 WeakPolarHBondContact O-CB 3.48Å; D372-S392 PolarHBondContact O-OG 2.93Å
373D93.9Very high94.6Very high4 Ų449.2 Ų49.22%0.02128%0.275CS..SBendtrans-99.9-4.5-174.6-62.3-40.3000114.8P348 G349 H350 P368 D369 S392 R422P348-D373 WeakPolarHBondContact CB-O 3.33Å; G349-D373 WeakPolarHBondContact CA-OD1 3.36Å; H350-D373 IonicContact CE1-OD1 3.99Å; H350-D373 IonicContact CE1-OD2 2.76Å; H350-D373 IonicContact CG-OD2 3.51Å; H350-D373 IonicContact ND1-OD1 3.06Å; H350-D373 PolarHBondContact ND1-OD1 3.32Å; H350-D373 IonicContact ND1-OD2 2.86Å; H350-D373 PolarHBondContact ND1-OD2 3.42Å; P368-D373 WeakPolarHBondContact CA-OD2 3.21Å; D369-D373 PolarHBondContact N-OD2 2.99Å; D369-D373 WeakPolarHBondContact O-CB 3.21Å; D369-D373 PolarHBondContact O-N 2.94Å; D373-S392 WeakPolarHBondContact CA-OG 3.4Å; D373-S392 WeakPolarHBondContact O-CB 3.34Å; D373-R422 IonicContact OD1-NH1 2.73Å; D373-R422 PolarHBondContact OD1-NH1 3.19Å
374K92.1Very high94.6Very high74 Ų7445.7 Ų45.732%0.32226%0.257SS..  trans-82.8150.6174.9-71.1-168-173.8170.70112E370 V376 H390E370-K374 WeakPolarHBondContact O-CD 3.47Å; E370-K374 VanDerWaalsContact O-CG 3.27Å; E370-K374 WeakPolarHBondContact O-CG 3.33Å; E370-K374 IonicContact OE2-NZ 3.98Å; E370-K374 PolarHBondContact OE2-NZ 3.21Å; K374-V376 HydrophobicContact CB-CG2 4.28Å; K374-H390 PolarHBondContact O-CD2 3.36Å
375T95.1Very high94.6Very high31 Ų3144.3 Ų44.319%0.1924%0.236CC..  trans-100.5123.6166.7-70.60000109.2P298 H390 Q391 S392P298-T375 VanDerWaalsContact CD-O 3.31Å; P298-T375 WeakPolarHBondContact CD-O 3.33Å; T375-H390 CarbonylContact C-O 3.5Å; T375-H390 WeakPolarHBondContact CA-O 3.21Å; T375-Q391 HydrophobicContact CG2-CB 4.25Å; T375-Q391 HydrophobicContact CG2-CG 4.11Å; T375-S392 PolarHBondContact OG1-N 2.85Å; T375-S392 VanDerWaalsContact OG1-N 3.11Å; T375-S392 PolarHBondContact OG1-O 2.87Å
376V96.8Very high94.6Very high17 Ų1745.1 Ų45.110%0.10324%0.242CC..EExtended strand (participates in β ladder)trans-135.7131.6-176.3-173.40000110.2T295 F296 E297 K374 Y378 A389 H390T295-V376 HydrophobicContact CG2-CG1 3.92Å; F296-V376 CarbonylContact O-C 3.58Å; F296-V376 WeakPolarHBondContact O-CA 3.03Å; E297-V376 HydrophobicContact CG-CG2 4.17Å; K374-V376 HydrophobicContact CB-CG2 4.28Å; V376-Y378 HydrophobicContact CG1-CD1 4.36Å; V376-Y378 HydrophobicContact CG1-CE1 3.88Å; V376-A389 WeakPolarHBondContact O-CA 3.36Å; V376-H390 PolarHBondContact N-O 3.4Å; V376-H390 PolarHBondContact O-N 3.29Å
377L97.9Very high94.6Very high21 Ų2142.5 Ų42.511%0.1122%0.223CC..EExtended strand (participates in β ladder)trans-105139.6166.1-45.9176000109.8M254 I266 M277 T295 F296 V379 T386 A389M254-L377 HydrophobicContact CE-CD1 4.31Å; M254-L377 HydrophobicContact SD-CD1 4.5Å; I266-L377 HydrophobicContact CD1-CD1 3.35Å; M277-L377 HydrophobicContact CE-CD1 4.16Å; M277-L377 HydrophobicContact CE-CG 4.13Å; T295-L377 CarbonylContact C-O 3.52Å; T295-L377 WeakPolarHBondContact CA-O 3.49Å; F296-L377 HydrophobicContact CB-CB 4.08Å; F296-L377 PolarHBondContact N-O 2.91Å; F296-L377 PolarHBondContact O-N 3.47Å; L377-V379 HydrophobicContact CB-CG2 4.19Å; L377-T386 HydrophobicContact CB-CG2 4.18Å; L377-A389 HydrophobicContact CD2-CB 3.45Å; L377-A389 VanDerWaalsContact CD2-CB 3.45Å
378Y98.1Very high94.7Very high36 Ų3636.9 Ų36.914%0.14120%0.198CC..EExtended strand (participates in β ladder)trans-103.1110176-59.3-69.9000109.1P286 V293 L294 T295 V376 T386 L387 G388 Y428P286-Y378 HydrophobicContact CG-CD1 3.98Å; P286-Y378 HydrophobicContact CG-CD2 4.09Å; P286-Y378 HydrophobicContact CG-CE1 3.6Å; P286-Y378 HydrophobicContact CG-CE2 3.73Å; P286-Y378 HydrophobicContact CG-CG 4.21Å; P286-Y378 VanDerWaalsContact CG-CZ 3.47Å; V293-Y378 HydrophobicContact CG2-CD1 4.04Å; V293-Y378 HydrophobicContact CG2-CG 4.43Å; L294-Y378 WeakPolarHBondContact O-CA 3.19Å; T295-Y378 HydrophobicContact CG2-CD1 4.07Å; T295-Y378 HydrophobicContact CG2-CE1 3.94Å; V376-Y378 HydrophobicContact CG1-CD1 4.36Å; V376-Y378 HydrophobicContact CG1-CE1 3.88Å; Y378-T386 CarbonylContact O-C 3.57Å; Y378-L387 PolarHBondContact O-N 2.95Å; Y378-G388 PolarHBondContact N-O 3.48Å; Y378-G388 PolarHBondContact O-N 3.08Å; Y378-Y428 HydrophobicContact CD2-CE1 4.03Å; Y378-Y428 HydrophobicContact CE2-CE1 4.21Å
379V98.3Very high94.8Very high0 Ų035 Ų350%019%0.187CC..EExtended strand (participates in β ladder)trans-118.2130.8-168.9-179.40000110.5M254 L258 V293 L294 F296 L377 L385M254-V379 HydrophobicContact CB-CG1 3.84Å; M254-V379 HydrophobicContact CB-CG2 4.36Å; M254-V379 HydrophobicContact CG-CG1 4.11Å; M254-V379 HydrophobicContact CG-CG2 3.81Å; L258-V379 HydrophobicContact CD1-CG1 3.86Å; V293-V379 CarbonylContact C-O 3.52Å; V293-V379 VanDerWaalsContact CA-O 3.3Å; V293-V379 WeakPolarHBondContact CA-O 3.47Å; L294-V379 PolarHBondContact N-O 3.46Å; L294-V379 PolarHBondContact O-N 3.01Å; F296-V379 HydrophobicContact CD2-CB 3.74Å; F296-V379 HydrophobicContact CD2-CG1 4.44Å; F296-V379 HydrophobicContact CD2-CG2 3.4Å; F296-V379 VanDerWaalsContact CD2-CG2 3.4Å; F296-V379 HydrophobicContact CE2-CB 3.72Å; F296-V379 HydrophobicContact CE2-CG1 3.98Å; F296-V379 HydrophobicContact CE2-CG2 3.8Å; F296-V379 HydrophobicContact CG-CG2 4.2Å; L377-V379 HydrophobicContact CB-CG2 4.19Å; V379-L385 WeakPolarHBondContact CA-O 3.46Å
380D97.1Very high95.1Very high2 Ų232.7 Ų32.71%0.01117%0.173CC..  trans-65.5125.3172.1176.778.1000110.3L382 T383 G384 L385 L387 L437D380-L382 VanDerWaalsContact C-N 3.34Å; D380-L382 PolarHBondContact O-N 3.41Å; D380-L382 PolarHBondContact OD2-N 3.15Å; D380-T383 WeakPolarHBondContact CB-OG1 3.29Å; D380-T383 VanDerWaalsContact CG-OG1 3.31Å; D380-T383 VanDerWaalsContact OD2-CB 3.29Å; D380-T383 WeakPolarHBondContact OD2-CB 3.34Å; D380-T383 WeakPolarHBondContact OD2-CG2 3.32Å; D380-T383 PolarHBondContact OD2-N 3.47Å; D380-T383 PolarHBondContact OD2-OG1 3.01Å; D380-G384 VanDerWaalsContact O-CA 3.27Å; D380-G384 WeakPolarHBondContact O-CA 3.34Å; D380-G384 PolarHBondContact O-N 2.83Å; D380-L385 PolarHBondContact N-O 3.14Å; D380-L387 HydrophobicContact CB-CD1 3.91Å; D380-L387 HydrophobicContact CB-CG 4.35Å; D380-L437 HydrophobicContact CB-CD2 4.35Å
381P96.9Very high95.5Very high26 Ų2629.1 Ų29.117%0.16916%0.157CC..THydrogen-bonded Turntrans-61.7-40.9-171.8-17.926000112.6L258 L282 Q292 L294L258-P381 WeakPolarHBondContact CB-O 3.27Å; L258-P381 PolarHBondContact N-O 3.18Å; L282-P381 HydrophobicContact CD1-CG 3.64Å; Q292-P381 VanDerWaalsContact O-CD 3.29Å; Q292-P381 WeakPolarHBondContact O-CD 3.26Å; L294-P381 HydrophobicContact CD1-CB 4.11Å; L294-P381 HydrophobicContact CG-CB 4.2Å; L294-P381 HydrophobicContact CG-CG 4.11Å
382L95.3Very high96Very high24 Ų2424.1 Ų24.113%0.12613%0.126CC..THydrogen-bonded Turntrans-79.7-48.7-174.1-179.958.5000111.7F36 I40 F256 D257 D380 V441F36-L382 HydrophobicContact CE1-CD2 3.79Å; I40-L382 HydrophobicContact CD1-CD2 4.17Å; F256-L382 WeakPolarHBondContact CD2-O 3.28Å; F256-L382 HydrophobicContact CE2-CD1 4.17Å; F256-L382 HydrophobicContact CE2-CG 4.48Å; F256-L382 WeakPolarHBondContact CE2-O 3.48Å; F256-L382 HydrophobicContact CZ-CD1 3.92Å; D257-L382 HydrophobicContact CB-CD1 4.35Å; D257-L382 PolarHBondContact N-O 3.38Å; D380-L382 VanDerWaalsContact C-N 3.34Å; D380-L382 PolarHBondContact O-N 3.41Å; D380-L382 PolarHBondContact OD2-N 3.15Å; L382-V441 HydrophobicContact CD2-CG1 3.78Å
383T95.7Very high96.2Very high0 Ų021.4 Ų21.40%011%0.111CC..THydrogen-bonded Turntrans-85.2-18.5-173.865.20000113.3I40 L44 R223 D380 L385 L437 V441I40-T383 HydrophobicContact CD1-CG2 4.47Å; L44-T383 HydrophobicContact CD1-CG2 4.05Å; L44-T383 HydrophobicContact CD2-CG2 3.75Å; L44-T383 HydrophobicContact CG-CG2 4.5Å; R223-T383 PolarHBondContact NH2-O 2.64Å; D380-T383 WeakPolarHBondContact CB-OG1 3.29Å; D380-T383 VanDerWaalsContact CG-OG1 3.31Å; D380-T383 VanDerWaalsContact OD2-CB 3.29Å; D380-T383 WeakPolarHBondContact OD2-CB 3.34Å; D380-T383 WeakPolarHBondContact OD2-CG2 3.32Å; D380-T383 PolarHBondContact OD2-N 3.47Å; D380-T383 PolarHBondContact OD2-OG1 3.01Å; T383-L385 PolarHBondContact O-N 2.97Å; T383-L385 PolarHBondContact OG1-N 3.23Å; T383-L437 HydrophobicContact CG2-CD1 4.21Å; T383-V441 HydrophobicContact CG2-CG1 4.15Å; T383-V441 HydrophobicContact CG2-CG2 3.62Å
384G97Very high96.3Very high0 Ų021.2 Ų21.20%011%0.11CC..  trans63.120.5-175.600000114.2M254 G255 D380M254-G384 PolarHBondContact N-O 2.77Å; G255-G384 WeakPolarHBondContact O-CA 3.23Å; D380-G384 VanDerWaalsContact O-CA 3.27Å; D380-G384 WeakPolarHBondContact O-CA 3.34Å; D380-G384 PolarHBondContact O-N 2.83Å
385L96.4Very high96.4Very high25 Ų2518.3 Ų18.313%0.13110%0.098CC..BIsolated β-bridgetrans-81.7133.5174.6-65.1172.5000109.9L44 V52 F253 V379 D380 T383 L387 L437L44-L385 HydrophobicContact CD2-CD1 4.47Å; V52-L385 HydrophobicContact CG1-CD2 4.23Å; F253-L385 HydrophobicContact CD1-CD2 3.68Å; F253-L385 HydrophobicContact CE1-CD2 3.68Å; V379-L385 WeakPolarHBondContact CA-O 3.46Å; D380-L385 PolarHBondContact N-O 3.14Å; T383-L385 PolarHBondContact O-N 2.97Å; T383-L385 PolarHBondContact OG1-N 3.23Å; L385-L387 HydrophobicContact CB-CD2 4.05Å; L385-L387 PolarHBondContact O-N 2.89Å; L385-L437 HydrophobicContact CD1-CD1 3.82Å
386T96.5Very high96.5Very high32 Ų3216.9 Ų16.920%0.1969%0.089CC..EExtended strand (participates in β ladder)trans-77.2115.1171.5-59.50000109.5G251 A252 L377 Y378 G388G251-T386 WeakPolarHBondContact O-CB 3.37Å; G251-T386 PolarHBondContact O-OG1 2.84Å; A252-T386 PolarHBondContact O-N 3.04Å; A252-T386 VanDerWaalsContact O-N 3.09Å; L377-T386 HydrophobicContact CB-CG2 4.18Å; Y378-T386 CarbonylContact O-C 3.57Å; T386-G388 WeakPolarHBondContact CG2-O 3.23Å
387L96Very high96.3Very high8 Ų816.1 Ų16.14%0.0429%0.085CC..EExtended strand (participates in β ladder)trans-102.75.8-176-55.4-174.2000113.5H285 L291 V293 Y378 D380 L385 P429 L434 L437H285-L387 PolarHBondContact NE2-O 3.37Å; L291-L387 HydrophobicContact CD1-CD1 3.83Å; V293-L387 HydrophobicContact CG1-CD1 4.13Å; Y378-L387 PolarHBondContact O-N 2.95Å; D380-L387 HydrophobicContact CB-CD1 3.91Å; D380-L387 HydrophobicContact CB-CG 4.35Å; L385-L387 HydrophobicContact CB-CD2 4.05Å; L385-L387 PolarHBondContact O-N 2.89Å; L387-P429 VanDerWaalsContact C-CD 3.48Å; L387-P429 WeakPolarHBondContact O-CD 3.47Å; L387-L434 HydrophobicContact CB-CD2 3.96Å; L387-L434 HydrophobicContact CD1-CD2 4.26Å; L387-L434 HydrophobicContact CD2-CD2 4.35Å; L387-L434 HydrophobicContact CG-CD2 4.43Å; L387-L437 HydrophobicContact CD1-CD2 3.55Å; L387-L437 HydrophobicContact CD2-CD2 3.59Å; L387-L437 HydrophobicContact CG-CD2 4.16Å
388G96.4Very high96Very high3 Ų315.7 Ų15.73%0.0318%0.082CC..EExtended strand (participates in β ladder)trans171.2162.9170.600000110.3Y378 T386 V427Y378-G388 PolarHBondContact N-O 3.48Å; Y378-G388 PolarHBondContact O-N 3.08Å; T386-G388 WeakPolarHBondContact CG2-O 3.23Å; G388-V427 CarbonylContact C-O 3.26Å; G388-V427 WeakPolarHBondContact CA-O 3.26Å
389A96.9Very high95.6Very high12 Ų1214.1 Ų14.110%0.0998%0.076CC..EExtended strand (participates in β ladder)trans-148.9145.5173.100000110.8V376 L377 V427V376-A389 WeakPolarHBondContact O-CA 3.36Å; L377-A389 HydrophobicContact CD2-CB 3.45Å; L377-A389 VanDerWaalsContact CD2-CB 3.45Å; A389-V427 HydrophobicContact CB-CG1 3.72Å; A389-V427 PolarHBondContact N-O 3.31Å; A389-V427 PolarHBondContact O-N 2.85Å
390H97.1Very high95Very high25 Ų2514.9 Ų14.912%0.1168%0.08CC..EExtended strand (participates in β ladder)trans-118.8115.3162.3177.581.3000106.3V371 D372 K374 T375 V376 V424 N425V371-H390 PolarHBondContact O-NE2 2.85Å; D372-H390 PolarHBondContact O-NE2 3.05Å; D372-H390 VanDerWaalsContact O-NE2 3.12Å; K374-H390 PolarHBondContact O-CD2 3.36Å; T375-H390 CarbonylContact C-O 3.5Å; T375-H390 WeakPolarHBondContact CA-O 3.21Å; V376-H390 PolarHBondContact N-O 3.4Å; V376-H390 PolarHBondContact O-N 3.29Å; H390-V424 VanDerWaalsContact CE1-CG1 3.42Å; H390-V424 WeakPolarHBondContact CE1-CG1 3.43Å; H390-N425 CarbonylContact C-O 2.95Å; H390-N425 WeakPolarHBondContact CA-O 3.32Å
391Q95.5Very high94Very high69 Ų6915.4 Ų15.432%0.3228%0.083SC..EExtended strand (participates in β ladder)trans-115.2129.2177.8179.1-157.415.600108T375 V424 N425T375-Q391 HydrophobicContact CG2-CB 4.25Å; T375-Q391 HydrophobicContact CG2-CG 4.11Å; Q391-V424 CarbonylContact O-C 3.49Å; Q391-V424 VanDerWaalsContact O-CA 3.26Å; Q391-V424 WeakPolarHBondContact O-CA 3.33Å; Q391-N425 HydrophobicContact CB-CB 4.23Å; Q391-N425 PolarHBondContact N-O 3.07Å; Q391-N425 PolarHBondContact O-N 2.91Å; Q391-N425 PolarHBondContact OE1-ND2 3.49Å
392S95.8Very high92.9Very high3 Ų322.2 Ų22.22%0.02111%0.112CC..EExtended strand (participates in β ladder)trans-122.7126.6170.9-172.90000109.7D372 D373 T375 I423D372-S392 WeakPolarHBondContact O-CB 3.48Å; D372-S392 PolarHBondContact O-OG 2.93Å; D373-S392 WeakPolarHBondContact CA-OG 3.4Å; D373-S392 WeakPolarHBondContact O-CB 3.34Å; T375-S392 PolarHBondContact OG1-N 2.85Å; T375-S392 VanDerWaalsContact OG1-N 3.11Å; T375-S392 PolarHBondContact OG1-O 2.87Å; S392-I423 WeakPolarHBondContact CA-O 3.33Å
393M94.9Very high91.5Very high38 Ų3825.8 Ų25.819%0.18713%0.127CC..EExtended strand (participates in β ladder)trans-145.2134.4-177.4-178.6166.3-150.400110.8F332 S347 R422 I423F332-M393 HydrophobicContact CE1-CE 4.48Å; F332-M393 HydrophobicContact CE2-CE 3.29Å; F332-M393 HydrophobicContact CZ-CE 3.17Å; F332-M393 HydrophobicContact CZ-SD 3.97Å; S347-M393 CarbonylContact O-C 3.54Å; S347-M393 WeakPolarHBondContact O-CA 3.27Å; M393-R422 CarbonylContact O-C 3.58Å; M393-R422 WeakPolarHBondContact O-CA 3.41Å; M393-I423 PolarHBondContact N-O 2.9Å; M393-I423 PolarHBondContact O-N 3.24Å
394Q96Very high90.1Very high0 Ų026.7 Ų26.70%013%0.131CC..EExtended strand (participates in β ladder)trans-110.7135.1172.8-178.2175.3-64.800110.1F70 G346 S347 F351 I421 R422F70-Q394 HydrophobicContact CE2-CG 4.03Å; F70-Q394 HydrophobicContact CZ-CG 4.45Å; F70-Q394 VanDerWaalsContact CZ-OE1 3.24Å; G346-Q394 CarbonylContact C-O 3.6Å; G346-Q394 VanDerWaalsContact CA-O 3.23Å; G346-Q394 WeakPolarHBondContact CA-O 3.33Å; S347-Q394 PolarHBondContact N-O 2.7Å; S347-Q394 PolarHBondContact O-N 3Å; F351-Q394 VanDerWaalsContact CE1-NE2 3.28Å; F351-Q394 VanDerWaalsContact CE2-NE2 3.32Å; Q394-I421 CarbonylContact C-O 3.45Å; Q394-I421 WeakPolarHBondContact CA-O 3.49Å; Q394-R422 HydrophobicContact CB-CB 4.44Å; Q394-R422 HydrophobicContact CB-CG 4.48Å
395I95.3Very high88.5Confident13 Ų1331.2 Ų31.27%0.06716%0.161CC..EExtended strand (participates in β ladder)trans-105128.8172.8-58.7175.9000108.4V199 L344 Y345 I420 I421 I423V199-I395 HydrophobicContact CG1-CD1 4.35Å; L344-I395 HydrophobicContact CB-CG2 4.28Å; L344-I395 HydrophobicContact CD1-CG2 4.35Å; L344-I395 HydrophobicContact CD2-CG2 4.03Å; L344-I395 HydrophobicContact CG-CG2 4.46Å; Y345-I395 CarbonylContact O-C 3.58Å; Y345-I395 WeakPolarHBondContact O-CA 3.45Å; I395-I420 PolarHBondContact O-N 2.9Å; I395-I421 HydrophobicContact CB-CG2 4.02Å; I395-I421 HydrophobicContact CD1-CG2 4.28Å; I395-I421 HydrophobicContact CG1-CG2 4.37Å; I395-I421 PolarHBondContact N-O 3.37Å; I395-I421 PolarHBondContact O-N 3.18Å; I395-I423 HydrophobicContact CD1-CD1 3.79Å; I395-I423 HydrophobicContact CG1-CD1 4.29Å
396S95.9Very high86.8Confident1 Ų132.4 Ų32.41%0.00717%0.171CC..EExtended strand (participates in β ladder)trans-127.8150.8178.4-50.70000110.7L344 Y345 F351 F418L344-S396 CarbonylContact C-O 3.58Å; L344-S396 WeakPolarHBondContact CA-O 3.41Å; Y345-S396 PolarHBondContact N-O 3.04Å; Y345-S396 PolarHBondContact O-N 2.7Å; F351-S396 WeakPolarHBondContact CE1-OG 3.32Å; S396-F418 CarbonylContact C-O 3.54Å; S396-F418 WeakPolarHBondContact CA-O 3.31Å; S396-F418 WeakPolarHBondContact CB-O 3.1Å
397F93.5Very high85.4Confident0 Ų031.2 Ų31.20%016%0.164CC..EExtended strand (participates in β ladder)trans-103.3127.2177.5-163.6-77000110.5L141 L143 G146 L150 L342 P343 L344 I399 F417 F418 I420L141-F397 HydrophobicContact CD2-CB 3.58Å; L141-F397 HydrophobicContact CD2-CD1 3.57Å; L141-F397 HydrophobicContact CD2-CD2 3.95Å; L141-F397 HydrophobicContact CD2-CE1 4.22Å; L141-F397 HydrophobicContact CD2-CG 3.42Å; L141-F397 VanDerWaalsContact CD2-CG 3.42Å; L143-F397 HydrophobicContact CD2-CD2 3.75Å; L143-F397 HydrophobicContact CD2-CE2 4.18Å; G146-F397 VanDerWaalsContact CA-CZ 3.42Å; L150-F397 HydrophobicContact CD1-CE1 3.83Å; L150-F397 HydrophobicContact CD1-CZ 3.6Å; L342-F397 HydrophobicContact CB-CE2 4.37Å; L342-F397 HydrophobicContact CD2-CE2 4.14Å; P343-F397 HydrophobicContact CG-CD1 4.23Å; P343-F397 HydrophobicContact CG-CE1 3.73Å; P343-F397 HydrophobicContact CG-CE2 4.41Å; P343-F397 HydrophobicContact CG-CZ 3.82Å; L344-F397 HydrophobicContact CD2-CB 4.2Å; L344-F397 HydrophobicContact CD2-CD2 3.57Å; L344-F397 HydrophobicContact CD2-CE2 4.39Å; L344-F397 HydrophobicContact CD2-CG 4.26Å; F397-I399 HydrophobicContact CD1-CD1 4.15Å; F397-I399 HydrophobicContact CD1-CG1 3.53Å; F397-I399 HydrophobicContact CE1-CG1 3.96Å; F397-F417 CarbonylContact O-C 3.53Å; F397-F418 PolarHBondContact N-O 3.39Å; F397-F418 PolarHBondContact O-N 3.21Å; F397-I420 HydrophobicContact CB-CD1 3.74Å; F397-I420 HydrophobicContact CB-CG1 4.37Å; F397-I420 HydrophobicContact CD2-CD1 4.4Å
398Y92.3Very high83.8Confident12 Ų1234.1 Ų34.15%0.04718%0.183CC..EExtended strand (participates in β ladder)trans-81.7128.2176.4-177.4-97.3000112Y320 E321 P322 P343 Y345 D400 P415 Y416 F417Y320-Y398 WeakPolarHBondContact O-CE1 3.12Å; E321-Y398 HydrophobicContact CG-CD1 4.38Å; P322-Y398 VanDerWaalsContact CD-CZ 3.48Å; P322-Y398 HydrophobicContact CG-CD2 4.26Å; P322-Y398 HydrophobicContact CG-CE1 4.26Å; P322-Y398 HydrophobicContact CG-CE2 3.63Å; P343-Y398 WeakPolarHBondContact CG-O 3.31Å; P343-Y398 PolarHBondContact O-N 3.09Å; Y345-Y398 VanDerWaalsContact CE2-CB 3.48Å; Y345-Y398 HydrophobicContact CE2-CG 4.19Å; Y398-D400 HydrophobicContact CE1-CB 3.78Å; Y398-P415 HydrophobicContact CE2-CB 3.74Å; Y398-P415 VanDerWaalsContact OH-CB 3.29Å; Y398-P415 WeakPolarHBondContact OH-CB 3.27Å; Y398-Y416 CarbonylContact C-O 3.48Å; Y398-Y416 VanDerWaalsContact CA-O 3.3Å; Y398-Y416 WeakPolarHBondContact CA-O 3.29Å; Y398-F417 AromaticContact CD2-CD1 3.86Å; Y398-F417 HydrophobicContact CD2-CD1 3.86Å; Y398-F417 HydrophobicContact CD2-CD2 4.23Å; Y398-F417 AromaticContact CD2-CE1 3.48Å; Y398-F417 HydrophobicContact CD2-CE1 3.48Å; Y398-F417 VanDerWaalsContact CD2-CE1 3.48Å; Y398-F417 AromaticContact CD2-CE2 3.87Å; Y398-F417 HydrophobicContact CD2-CE2 3.87Å; Y398-F417 HydrophobicContact CD2-CG 4.22Å; Y398-F417 AromaticContact CD2-CZ 3.48Å; Y398-F417 HydrophobicContact CD2-CZ 3.48Å; Y398-F417 VanDerWaalsContact CD2-CZ 3.48Å; Y398-F417 HydrophobicContact CE2-CE1 4.28Å; Y398-F417 AromaticContact CE2-CE2 4Å; Y398-F417 HydrophobicContact CE2-CE2 4Å; Y398-F417 AromaticContact CE2-CZ 3.81Å; Y398-F417 HydrophobicContact CE2-CZ 3.81Å; Y398-F417 HydrophobicContact CG-CE1 4.2Å
399I87.8Confident82.5Confident3 Ų334.2 Ų34.22%0.01518%0.183CC..EExtended strand (participates in β ladder)trans-131.8128.2176.4-50.8-177.4000109.5L141 F397 P415 Y416 F418L141-I399 HydrophobicContact CD1-CD1 3.48Å; L141-I399 VanDerWaalsContact CD1-CD1 3.48Å; L141-I399 HydrophobicContact CD2-CD1 3.71Å; L141-I399 HydrophobicContact CD2-CG1 4.45Å; L141-I399 HydrophobicContact CG-CD1 4.26Å; F397-I399 HydrophobicContact CD1-CD1 4.15Å; F397-I399 HydrophobicContact CD1-CG1 3.53Å; F397-I399 HydrophobicContact CE1-CG1 3.96Å; I399-P415 CarbonylContact O-C 3.55Å; I399-P415 VanDerWaalsContact O-CA 3.24Å; I399-P415 WeakPolarHBondContact O-CA 3.27Å; I399-Y416 PolarHBondContact N-O 3.28Å; I399-Y416 PolarHBondContact O-N 3.03Å; I399-F418 HydrophobicContact CB-CD2 4.35Å; I399-F418 HydrophobicContact CD1-CD2 3.55Å; I399-F418 HydrophobicContact CD1-CE2 3.99Å; I399-F418 HydrophobicContact CD1-CG 4.37Å; I399-F418 HydrophobicContact CG1-CD2 4.02Å
400D86Confident81.3Confident17 Ų1742 Ų429%0.09121%0.21CC..  trans-127.6104.1171.8-178.53.1000110Y398 E402 K403 P415Y398-D400 HydrophobicContact CE1-CB 3.78Å; D400-E402 PolarHBondContact OD1-N 3.37Å; D400-E402 VanDerWaalsContact OD1-N 3.13Å; D400-K403 WeakPolarHBondContact OD2-CD 3.48Å; D400-K403 WeakPolarHBondContact OD2-CE 3.32Å; D400-K403 IonicContact OD2-NZ 3.89Å; D400-P415 HydrophobicContact CB-CB 4.08Å
401N76.6Confident80.5Confident13 Ų1345.7 Ų45.77%0.0723%0.23CC..G310 helixtrans-77.3-19.4-176.6-66.5-44.1000113.3K403 N404 M412 R413N401-K403 PolarHBondContact O-N 3.43Å; N401-N404 CarbonylContact O-C 3.54Å; N401-N404 PolarHBondContact O-N 3.18Å; N401-N404 VanDerWaalsContact O-N 3.14Å; N401-M412 WeakPolarHBondContact ND2-CB 3.38Å; N401-M412 PolarHBondContact ND2-O 3.16Å; N401-R413 PolarHBondContact ND2-O 2.96Å
402E73.4Confident80.1Confident168 Ų16842.8 Ų42.879%0.78522%0.216SC*.G310 helixtrans-62.8-26.7179.7-65.8-171.1168.500111.4D400D400-E402 PolarHBondContact OD1-N 3.37Å; D400-E402 VanDerWaalsContact OD1-N 3.13Å
403K67.1Low79.7Confident99 Ų9950 Ų5043%0.4324%0.243SC..G310 helixtrans-88.2-9.2-179.9-63.4178.6-176170.50114.3Y319 D400 N401Y319-K403 WeakPolarHBondContact O-CE 3.33Å; Y319-K403 PolarHBondContact O-NZ 3.38Å; D400-K403 WeakPolarHBondContact OD2-CD 3.48Å; D400-K403 WeakPolarHBondContact OD2-CE 3.32Å; D400-K403 IonicContact OD2-NZ 3.89Å; N401-K403 PolarHBondContact O-N 3.43Å
404N66.5Low79.2Confident19 Ų1949.7 Ų49.710%0.10225%0.249CC..  trans-140.677.2179.4-160.9-14.3000113.2I149 N401 S406I149-N404 HydrophobicContact CG2-CB 4.29Å; I149-N404 PolarHBondContact O-ND2 3.49Å; N401-N404 CarbonylContact O-C 3.54Å; N401-N404 PolarHBondContact O-N 3.18Å; N401-N404 VanDerWaalsContact O-N 3.14Å; N404-S406 PolarHBondContact O-N 3.29Å; N404-S406 PolarHBondContact OD1-OG 3.48Å
405P62.6Low78.9Confident96 Ų9652 Ų5262%0.62327%0.265SS*.THydrogen-bonded Turntrans-69.6-2.7-172.728.2-36.1000114.8
406S61.6Low78.8Confident50 Ų5051.8 Ų51.835%0.3526%0.263SS..THydrogen-bonded Turntrans-102.94.2-163.769.40000114.1R153 N404R153-S406 PolarHBondContact NE-OG 2.72Å; R153-S406 PolarHBondContact NH2-O 2.9Å; R153-S406 PolarHBondContact NH2-OG 3.29Å; R153-S406 VanDerWaalsContact NH2-OG 3.08Å; N404-S406 PolarHBondContact O-N 3.29Å; N404-S406 PolarHBondContact OD1-OG 3.48Å
407M65.5Low78.8Confident6 Ų652.3 Ų52.33%0.0327%0.265CS..SBendtrans-96.1159.3177.6-85.6-70.8-125.300112.4L148 I149 Y161 F409 R410L148-M407 HydrophobicContact CB-CE 3.81Å; L148-M407 HydrophobicContact CD1-CE 4.46Å; I149-M407 HydrophobicContact CB-CE 4.5Å; I149-M407 HydrophobicContact CD1-CE 4.37Å; I149-M407 HydrophobicContact CG1-CE 3.43Å; I149-M407 VanDerWaalsContact CG1-CE 3.43Å; I149-M407 HydrophobicContact CG1-CG 4.01Å; Y161-M407 HydrophobicContact CD1-CE 3.87Å; Y161-M407 HydrophobicContact CD1-CG 4.3Å; Y161-M407 HydrophobicContact CD1-SD 3.69Å; Y161-M407 HydrophobicContact CE1-CE 4.29Å; M407-F409 HydrophobicContact CB-CD2 4.22Å; M407-F409 HydrophobicContact CE-CE2 4.36Å; M407-F409 PolarHBondContact O-N 3.48Å; M407-F409 HydrophobicContact SD-CE2 4.5Å; M407-R410 PolarHBondContact O-N 3.49Å
408P62.9Low78.8Confident70 Ų7052.5 Ų52.546%0.45527%0.266SS..THydrogen-bonded Turntrans-62.5-4.7178.71.45.2000114.1
409F69.4Low79.1Confident4 Ų452.1 Ų52.12%0.01827%0.265CS..THydrogen-bonded Turntrans-104.19.9-176.3-41-38.6000113.2L79 I149 P166 M407 L411 M412L79-F409 HydrophobicContact CD2-CD1 3.45Å; L79-F409 VanDerWaalsContact CD2-CD1 3.45Å; L79-F409 HydrophobicContact CD2-CE1 4.06Å; I149-F409 HydrophobicContact CD1-CD2 3.82Å; I149-F409 HydrophobicContact CD1-CE2 4.07Å; P166-F409 HydrophobicContact CB-CD1 3.38Å; P166-F409 HydrophobicContact CB-CD2 3.73Å; P166-F409 HydrophobicContact CB-CE1 3.22Å; P166-F409 HydrophobicContact CB-CE2 3.46Å; P166-F409 VanDerWaalsContact CB-CE2 3.46Å; P166-F409 HydrophobicContact CB-CG 3.71Å; P166-F409 HydrophobicContact CB-CZ 3.23Å; P166-F409 HydrophobicContact CG-CD1 3.25Å; P166-F409 HydrophobicContact CG-CE1 2.97Å; P166-F409 HydrophobicContact CG-CE2 4.2Å; P166-F409 HydrophobicContact CG-CG 4.11Å; P166-F409 HydrophobicContact CG-CZ 3.48Å; P166-F409 VanDerWaalsContact CG-CZ 3.48Å; M407-F409 HydrophobicContact CB-CD2 4.22Å; M407-F409 HydrophobicContact CE-CE2 4.36Å; M407-F409 PolarHBondContact O-N 3.48Å; M407-F409 HydrophobicContact SD-CE2 4.5Å; F409-L411 PolarHBondContact O-N 3.46Å; F409-M412 HydrophobicContact CB-CB 4.36Å; F409-M412 HydrophobicContact CB-CG 4.02Å; F409-M412 HydrophobicContact CB-SD 3.62Å; F409-M412 HydrophobicContact CD1-SD 4.27Å; F409-M412 HydrophobicContact CG-SD 3.99Å; F409-M412 VanDerWaalsContact O-CB 3.27Å; F409-M412 WeakPolarHBondContact O-CB 3.43Å; F409-M412 PolarHBondContact O-N 2.93Å
410R70.5Confident79.4Confident177 Ų17752.1 Ų52.167%0.66827%0.265SS*.THydrogen-bonded Turntrans-51.3-21.5-177.571.8-179.5-177.3161.60.8114.9M407M407-R410 PolarHBondContact O-N 3.49Å
411L82.2Confident79.9Confident102 Ų10251.3 Ų51.353%0.53426%0.26SS..THydrogen-bonded Turntrans-93.7-15179.2-60.4-179.3000113.2L79 G81 F409 R413L79-L411 WeakPolarHBondContact O-CB 3.28Å; G81-L411 WeakPolarHBondContact CA-O 3.31Å; G81-L411 PolarHBondContact N-O 2.79Å; G81-L411 VanDerWaalsContact N-O 3.14Å; F409-L411 PolarHBondContact O-N 3.46Å; L411-R413 PolarHBondContact O-N 3.01Å
412M86.5Confident80.9Confident8 Ų851.3 Ų51.34%0.03926%0.259CS..SBendtrans-58.5135.3168.6-72.3-178.95300108.4V78 L79 F167 N401 F409 F418V78-M412 HydrophobicContact CG1-CE 3.61Å; V78-M412 HydrophobicContact CG1-CG 3.96Å; V78-M412 HydrophobicContact CG1-SD 4.01Å; V78-M412 VanDerWaalsContact O-CG 3.24Å; V78-M412 WeakPolarHBondContact O-CG 3.32Å; L79-M412 HydrophobicContact CD2-CG 4.48Å; L79-M412 HydrophobicContact CD2-SD 4.23Å; F167-M412 HydrophobicContact CE2-SD 4.24Å; F167-M412 HydrophobicContact CZ-CE 3.78Å; F167-M412 HydrophobicContact CZ-SD 3.88Å; N401-M412 WeakPolarHBondContact ND2-CB 3.38Å; N401-M412 PolarHBondContact ND2-O 3.16Å; F409-M412 HydrophobicContact CB-CB 4.36Å; F409-M412 HydrophobicContact CB-CG 4.02Å; F409-M412 HydrophobicContact CB-SD 3.62Å; F409-M412 HydrophobicContact CD1-SD 4.27Å; F409-M412 HydrophobicContact CG-SD 3.99Å; F409-M412 VanDerWaalsContact O-CB 3.27Å; F409-M412 WeakPolarHBondContact O-CB 3.43Å; F409-M412 PolarHBondContact O-N 2.93Å; M412-F418 HydrophobicContact CE-CE1 4.47Å; M412-F418 HydrophobicContact CE-CE2 3.64Å; M412-F418 HydrophobicContact CE-CZ 3.42Å; M412-F418 VanDerWaalsContact CE-CZ 3.42Å
413R86.8Confident82Confident154 Ų15443.9 Ų43.958%0.58123%0.225SC*.  trans-65-174.1172.4-63.4177.2-179.21648.7110G81 N401 L411 Y416G81-R413 WeakPolarHBondContact O-CD 3.41Å; G81-R413 WeakPolarHBondContact O-CG 3.45Å; G81-R413 PolarHBondContact O-NE 2.91Å; G81-R413 PolarHBondContact O-NH2 2.82Å; N401-R413 PolarHBondContact ND2-O 2.96Å; L411-R413 PolarHBondContact O-N 3.01Å; R413-Y416 HydrophobicContact CB-CE2 4.1Å; R413-Y416 WeakPolarHBondContact CB-OH 3.33Å; R413-Y416 VanDerWaalsContact O-CD2 3.29Å; R413-Y416 WeakPolarHBondContact O-CD2 3.49Å; R413-Y416 WeakPolarHBondContact O-CE2 3.44Å
414G84.9Confident83.4Confident31 Ų3139.6 Ų39.632%0.3221%0.207SC..  trans161.2-174.317600000111
415P90.2Very high84.8Confident50 Ų5039.5 Ų39.533%0.32521%0.207SC..  cis-69.5151.2-5.130.1-36000112.3Q361 Y398 I399 D400Q361-P415 PolarHBondContact NE2-O 3.41Å; Q361-P415 PolarHBondContact OE1-O 3.29Å; Q361-P415 VanDerWaalsContact OE1-O 3.04Å; Y398-P415 HydrophobicContact CE2-CB 3.74Å; Y398-P415 VanDerWaalsContact OH-CB 3.29Å; Y398-P415 WeakPolarHBondContact OH-CB 3.27Å; I399-P415 CarbonylContact O-C 3.55Å; I399-P415 VanDerWaalsContact O-CA 3.24Å; I399-P415 WeakPolarHBondContact O-CA 3.27Å; D400-P415 HydrophobicContact CB-CB 4.08Å
416Y92.8Very high86.3Confident7 Ų736.5 Ų36.53%0.02718%0.184CC..EExtended strand (participates in β ladder)trans-122.6146.1-179.2-71.8-65000111.7P84 Q361 F362 Y398 I399 R413 F418P84-Y416 WeakPolarHBondContact CD-OH 3.22Å; P84-Y416 HydrophobicContact CG-CE1 4.23Å; Q361-Y416 HydrophobicContact CB-CD1 4.04Å; Q361-Y416 HydrophobicContact CB-CE1 3.91Å; Q361-Y416 HydrophobicContact CG-CD1 4.47Å; Q361-Y416 HydrophobicContact CG-CE1 4.38Å; F362-Y416 AromaticContact CE1-CD1 3.58Å; F362-Y416 HydrophobicContact CE1-CD1 3.58Å; F362-Y416 HydrophobicContact CE1-CE1 4.07Å; F362-Y416 HydrophobicContact CE1-CG 4.29Å; F362-Y416 AromaticContact CZ-CD1 3.8Å; F362-Y416 HydrophobicContact CZ-CD1 3.8Å; F362-Y416 HydrophobicContact CZ-CG 4.45Å; Y398-Y416 CarbonylContact C-O 3.48Å; Y398-Y416 VanDerWaalsContact CA-O 3.3Å; Y398-Y416 WeakPolarHBondContact CA-O 3.29Å; I399-Y416 PolarHBondContact N-O 3.28Å; I399-Y416 PolarHBondContact O-N 3.03Å; R413-Y416 HydrophobicContact CB-CE2 4.1Å; R413-Y416 WeakPolarHBondContact CB-OH 3.33Å; R413-Y416 VanDerWaalsContact O-CD2 3.29Å; R413-Y416 WeakPolarHBondContact O-CD2 3.49Å; R413-Y416 WeakPolarHBondContact O-CE2 3.44Å; Y416-F418 VanDerWaalsContact CB-CE2 3.46Å; Y416-F418 HydrophobicContact CD2-CD2 4.11Å; Y416-F418 AromaticContact CD2-CE2 3.24Å; Y416-F418 HydrophobicContact CD2-CE2 3.24Å; Y416-F418 AromaticContact CD2-CZ 3.72Å; Y416-F418 HydrophobicContact CD2-CZ 3.72Å; Y416-F418 HydrophobicContact CE2-CE2 4.01Å; Y416-F418 HydrophobicContact CE2-CZ 4.04Å; Y416-F418 AromaticContact CG-CD2 3.98Å; Y416-F418 HydrophobicContact CG-CD2 3.98Å; Y416-F418 AromaticContact CG-CE2 3.52Å; Y416-F418 HydrophobicContact CG-CE2 3.52Å; Y416-F418 HydrophobicContact CG-CZ 4.05Å
417F95.2Very high87.9Confident13 Ų1335.8 Ų35.86%0.05718%0.177CC..EExtended strand (participates in β ladder)trans-101.184156.3-66.4-89000107.8P322 P326 L329 Y345 F351 I358 F362 F397 Y398 P419P322-F417 HydrophobicContact CG-CZ 4.27Å; P326-F417 HydrophobicContact CG-CE1 4.47Å; P326-F417 HydrophobicContact CG-CE2 3.8Å; P326-F417 HydrophobicContact CG-CZ 3.5Å; P326-F417 VanDerWaalsContact CG-CZ 3.5Å; L329-F417 HydrophobicContact CD2-CB 4.45Å; L329-F417 HydrophobicContact CD2-CD1 3.38Å; L329-F417 HydrophobicContact CD2-CD2 4.16Å; L329-F417 HydrophobicContact CD2-CE1 3.48Å; L329-F417 VanDerWaalsContact CD2-CE1 3.48Å; L329-F417 HydrophobicContact CD2-CE2 4.26Å; L329-F417 HydrophobicContact CD2-CG 3.74Å; L329-F417 HydrophobicContact CD2-CZ 3.94Å; Y345-F417 HydrophobicContact CD1-CD1 4.49Å; Y345-F417 AromaticContact CD1-CE1 3.84Å; Y345-F417 HydrophobicContact CD1-CE1 3.84Å; Y345-F417 AromaticContact CD2-CD1 3.9Å; Y345-F417 HydrophobicContact CD2-CD1 3.9Å; Y345-F417 AromaticContact CD2-CE1 3.68Å; Y345-F417 HydrophobicContact CD2-CE1 3.68Å; Y345-F417 HydrophobicContact CE1-CE1 4.04Å; Y345-F417 HydrophobicContact CE2-CD1 4.49Å; Y345-F417 AromaticContact CE2-CE1 3.9Å; Y345-F417 HydrophobicContact CE2-CE1 3.9Å; Y345-F417 AromaticContact CG-CD1 3.9Å; Y345-F417 HydrophobicContact CG-CD1 3.9Å; Y345-F417 AromaticContact CG-CE1 3.65Å; Y345-F417 HydrophobicContact CG-CE1 3.65Å; F351-F417 HydrophobicContact CE1-CB 4.17Å; F351-F417 WeakPolarHBondContact CZ-O 3.38Å; I358-F417 HydrophobicContact CD1-CD2 4.14Å; I358-F417 HydrophobicContact CD1-CE2 4.11Å; I358-F417 HydrophobicContact CG1-CD2 4.23Å; I358-F417 HydrophobicContact CG1-CE2 4.43Å; I358-F417 HydrophobicContact CG2-CB 4.05Å; I358-F417 HydrophobicContact CG2-CD2 3.87Å; I358-F417 HydrophobicContact CG2-CG 4.29Å; F362-F417 WeakPolarHBondContact CE2-O 3.45Å; F362-F417 WeakPolarHBondContact CZ-O 2.97Å; F397-F417 CarbonylContact O-C 3.53Å; Y398-F417 AromaticContact CD2-CD1 3.86Å; Y398-F417 HydrophobicContact CD2-CD1 3.86Å; Y398-F417 HydrophobicContact CD2-CD2 4.23Å; Y398-F417 AromaticContact CD2-CE1 3.48Å; Y398-F417 HydrophobicContact CD2-CE1 3.48Å; Y398-F417 VanDerWaalsContact CD2-CE1 3.48Å; Y398-F417 AromaticContact CD2-CE2 3.87Å; Y398-F417 HydrophobicContact CD2-CE2 3.87Å; Y398-F417 HydrophobicContact CD2-CG 4.22Å; Y398-F417 AromaticContact CD2-CZ 3.48Å; Y398-F417 HydrophobicContact CD2-CZ 3.48Å; Y398-F417 VanDerWaalsContact CD2-CZ 3.48Å; Y398-F417 HydrophobicContact CE2-CE1 4.28Å; Y398-F417 AromaticContact CE2-CE2 4Å; Y398-F417 HydrophobicContact CE2-CE2 4Å; Y398-F417 AromaticContact CE2-CZ 3.81Å; Y398-F417 HydrophobicContact CE2-CZ 3.81Å; Y398-F417 HydrophobicContact CG-CE1 4.2Å; F417-P419 WeakPolarHBondContact O-CD 3.14Å
418F94.7Very high89.3Confident4 Ų437.6 Ų37.62%0.01818%0.184CC..EExtended strand (participates in β ladder)trans-65116.6-175.9-94.2-80.5000110.9V78 P84 F86 F362 S396 F397 I399 M412 Y416 I420V78-F418 HydrophobicContact CG1-CZ 4.47Å; P84-F418 HydrophobicContact CB-CE1 4.17Å; P84-F418 HydrophobicContact CG-CE1 3.86Å; P84-F418 HydrophobicContact CG-CZ 3.97Å; F86-F418 HydrophobicContact CE2-CD1 4.2Å; F86-F418 HydrophobicContact CE2-CE1 4.38Å; F86-F418 AromaticContact CZ-CD1 3.8Å; F86-F418 HydrophobicContact CZ-CD1 3.8Å; F86-F418 HydrophobicContact CZ-CE1 4.11Å; F362-F418 HydrophobicContact CE1-CD1 4.36Å; F362-F418 HydrophobicContact CE1-CE1 4.42Å; S396-F418 CarbonylContact C-O 3.54Å; S396-F418 WeakPolarHBondContact CA-O 3.31Å; S396-F418 WeakPolarHBondContact CB-O 3.1Å; F397-F418 PolarHBondContact N-O 3.39Å; F397-F418 PolarHBondContact O-N 3.21Å; I399-F418 HydrophobicContact CB-CD2 4.35Å; I399-F418 HydrophobicContact CD1-CD2 3.55Å; I399-F418 HydrophobicContact CD1-CE2 3.99Å; I399-F418 HydrophobicContact CD1-CG 4.37Å; I399-F418 HydrophobicContact CG1-CD2 4.02Å; M412-F418 HydrophobicContact CE-CE1 4.47Å; M412-F418 HydrophobicContact CE-CE2 3.64Å; M412-F418 HydrophobicContact CE-CZ 3.42Å; M412-F418 VanDerWaalsContact CE-CZ 3.42Å; Y416-F418 VanDerWaalsContact CB-CE2 3.46Å; Y416-F418 HydrophobicContact CD2-CD2 4.11Å; Y416-F418 AromaticContact CD2-CE2 3.24Å; Y416-F418 HydrophobicContact CD2-CE2 3.24Å; Y416-F418 AromaticContact CD2-CZ 3.72Å; Y416-F418 HydrophobicContact CD2-CZ 3.72Å; Y416-F418 HydrophobicContact CE2-CE2 4.01Å; Y416-F418 HydrophobicContact CE2-CZ 4.04Å; Y416-F418 AromaticContact CG-CD2 3.98Å; Y416-F418 HydrophobicContact CG-CD2 3.98Å; Y416-F418 AromaticContact CG-CE2 3.52Å; Y416-F418 HydrophobicContact CG-CE2 3.52Å; Y416-F418 HydrophobicContact CG-CZ 4.05Å; F418-I420 PolarHBondContact O-N 2.82Å
419P97Very high90.7Very high3 Ų335.4 Ų35.42%0.01917%0.17CC..EExtended strand (participates in β ladder)trans-68.4134.5-179.832.4-38.1000110.2F70 F86 F351 I365 F417F70-P419 HydrophobicContact CB-CB 4.23Å; F70-P419 HydrophobicContact CB-CG 4.13Å; F70-P419 HydrophobicContact CD1-CB 4.15Å; F70-P419 HydrophobicContact CD1-CG 4.22Å; F70-P419 HydrophobicContact CD2-CB 3.62Å; F70-P419 HydrophobicContact CD2-CG 4.39Å; F70-P419 HydrophobicContact CE1-CB 4.44Å; F70-P419 HydrophobicContact CE2-CB 3.93Å; F70-P419 HydrophobicContact CG-CB 3.72Å; F70-P419 HydrophobicContact CG-CG 3.99Å; F70-P419 HydrophobicContact CZ-CB 4.34Å; F86-P419 HydrophobicContact CD2-CG 3.87Å; F86-P419 HydrophobicContact CE1-CG 4.48Å; F86-P419 HydrophobicContact CE2-CG 3.74Å; F86-P419 HydrophobicContact CG-CG 4.31Å; F86-P419 HydrophobicContact CZ-CG 4.08Å; F351-P419 HydrophobicContact CZ-CB 4.19Å; I365-P419 HydrophobicContact CD1-CG 3.82Å; F417-P419 WeakPolarHBondContact O-CD 3.14Å
420I95.7Very high91.7Very high3 Ų338.4 Ų38.42%0.01519%0.19CC..EExtended strand (participates in β ladder)trans-109.4-55.5178.8-62.1163.5000109.8F70 L143 V199 L344 I395 F397 F418F70-I420 PolarHBondContact N-O 3.34Å; L143-I420 HydrophobicContact CD2-CD1 3.69Å; V199-I420 HydrophobicContact CG2-CG2 3.63Å; L344-I420 HydrophobicContact CD2-CD1 3.78Å; I395-I420 PolarHBondContact O-N 2.9Å; F397-I420 HydrophobicContact CB-CD1 3.74Å; F397-I420 HydrophobicContact CB-CG1 4.37Å; F397-I420 HydrophobicContact CD2-CD1 4.4Å; F418-I420 PolarHBondContact O-N 2.82Å
421I96.4Very high92.7Very high0 Ų035 Ų350%018%0.183CC..EExtended strand (participates in β ladder)trans-149144.5-174.8-165168.4000111.5L67 Y68 L69 I176 V199 F200 Q394 I395 I423L67-I421 HydrophobicContact CB-CD1 3.97Å; L67-I421 HydrophobicContact CD1-CD1 4.29Å; L67-I421 HydrophobicContact CD2-CD1 4.04Å; L67-I421 HydrophobicContact CG-CD1 4.33Å; Y68-I421 CarbonylContact O-C 3.56Å; Y68-I421 VanDerWaalsContact O-CA 3.29Å; Y68-I421 WeakPolarHBondContact O-CA 3.21Å; Y68-I421 VanDerWaalsContact O-CG1 3.3Å; Y68-I421 WeakPolarHBondContact O-CG1 3.44Å; L69-I421 HydrophobicContact CD2-CB 4.06Å; L69-I421 HydrophobicContact CD2-CD1 3.65Å; L69-I421 HydrophobicContact CD2-CG1 3.76Å; I176-I421 HydrophobicContact CG1-CD1 4.28Å; V199-I421 HydrophobicContact CG1-CG2 3.8Å; F200-I421 HydrophobicContact CE2-CD1 3.59Å; F200-I421 HydrophobicContact CZ-CD1 4.14Å; Q394-I421 CarbonylContact C-O 3.45Å; Q394-I421 WeakPolarHBondContact CA-O 3.49Å; I395-I421 HydrophobicContact CB-CG2 4.02Å; I395-I421 HydrophobicContact CD1-CG2 4.28Å; I395-I421 HydrophobicContact CG1-CG2 4.37Å; I395-I421 PolarHBondContact N-O 3.37Å; I395-I421 PolarHBondContact O-N 3.18Å; I421-I423 HydrophobicContact CG1-CG1 4.38Å; I421-I423 HydrophobicContact CG2-CD1 4.3Å; I421-I423 HydrophobicContact CG2-CG1 4.18Å
422R96.8Very high93.1Very high13 Ų1337.6 Ų37.65%0.04919%0.193CC..EExtended strand (participates in β ladder)trans-110.6134.1164.4-175.1174.764.890.54.4109.6Y68 F70 E88 D373 M393 Q394Y68-R422 PolarHBondContact N-O 3.28Å; Y68-R422 PolarHBondContact O-N 3.31Å; F70-R422 HydrophobicContact CE2-CB 3.96Å; F70-R422 HydrophobicContact CZ-CB 4.19Å; E88-R422 VanDerWaalsContact CD-NH2 3.3Å; E88-R422 IonicContact OE1-CZ 3.56Å; E88-R422 IonicContact OE1-NE 3.24Å; E88-R422 IonicContact OE1-NH2 4Å; E88-R422 PolarHBondContact OE1-NH2 3.46Å; E88-R422 IonicContact OE2-CZ 2.72Å; E88-R422 IonicContact OE2-NE 3.02Å; E88-R422 PolarHBondContact OE2-NE 3.08Å; E88-R422 IonicContact OE2-NH2 3.24Å; E88-R422 PolarHBondContact OE2-NH2 3.48Å; D373-R422 IonicContact OD1-NH1 2.73Å; D373-R422 PolarHBondContact OD1-NH1 3.19Å; M393-R422 CarbonylContact O-C 3.58Å; M393-R422 WeakPolarHBondContact O-CA 3.41Å; Q394-R422 HydrophobicContact CB-CB 4.44Å; Q394-R422 HydrophobicContact CB-CG 4.48Å
423I95.8Very high93.3Very high13 Ų1340 Ų407%0.06721%0.208CC..EExtended strand (participates in β ladder)trans-121.5117.7-170.1-52.7169.8000106.6T65 L67 F200 S392 M393 I395 I421T65-I423 HydrophobicContact CG2-CG2 4.12Å; L67-I423 HydrophobicContact CD2-CB 4.17Å; L67-I423 HydrophobicContact CD2-CG1 3.91Å; L67-I423 HydrophobicContact CD2-CG2 3.83Å; F200-I423 HydrophobicContact CE1-CD1 3.94Å; F200-I423 HydrophobicContact CZ-CD1 3.51Å; F200-I423 HydrophobicContact CZ-CG1 3.96Å; S392-I423 WeakPolarHBondContact CA-O 3.33Å; M393-I423 PolarHBondContact N-O 2.9Å; M393-I423 PolarHBondContact O-N 3.24Å; I395-I423 HydrophobicContact CD1-CD1 3.79Å; I395-I423 HydrophobicContact CG1-CD1 4.29Å; I421-I423 HydrophobicContact CG1-CG1 4.38Å; I421-I423 HydrophobicContact CG2-CD1 4.3Å; I421-I423 HydrophobicContact CG2-CG1 4.18Å
424V96.7Very high93.6Very high9 Ų932.9 Ų32.96%0.05518%0.181CC..EExtended strand (participates in β ladder)trans-117.5112.7175.9-177.70000109.1R66 Y68 H390 Q391R66-V424 HydrophobicContact CB-CB 4.27Å; R66-V424 PolarHBondContact N-O 3.25Å; R66-V424 PolarHBondContact O-N 2.98Å; Y68-V424 HydrophobicContact CD2-CG2 4.44Å; Y68-V424 HydrophobicContact CE2-CB 4.45Å; Y68-V424 HydrophobicContact CE2-CG2 4.04Å; H390-V424 VanDerWaalsContact CE1-CG1 3.42Å; H390-V424 WeakPolarHBondContact CE1-CG1 3.43Å; Q391-V424 CarbonylContact O-C 3.49Å; Q391-V424 VanDerWaalsContact O-CA 3.26Å; Q391-V424 WeakPolarHBondContact O-CA 3.33Å
425N95.8Very high94Very high17 Ų1734.4 Ų34.49%0.09118%0.182CC..EExtended strand (participates in β ladder)trans-104.5128.5177.3-66.7-41.8000110.2I63 I64 T65 H390 Q391I63-N425 HydrophobicContact CG2-CB 3.72Å; I64-N425 WeakPolarHBondContact O-CA 3.2Å; T65-N425 WeakPolarHBondContact CA-OD1 3.43Å; T65-N425 WeakPolarHBondContact CB-OD1 3.48Å; T65-N425 WeakPolarHBondContact CG2-OD1 3.36Å; T65-N425 PolarHBondContact OG1-OD1 3.01Å; H390-N425 CarbonylContact C-O 2.95Å; H390-N425 WeakPolarHBondContact CA-O 3.32Å; Q391-N425 HydrophobicContact CB-CB 4.23Å; Q391-N425 PolarHBondContact N-O 3.07Å; Q391-N425 PolarHBondContact O-N 2.91Å; Q391-N425 PolarHBondContact OE1-ND2 3.49Å
426E95.6Very high94.1Very high33 Ų3335.1 Ų35.115%0.15419%0.185CC..EExtended strand (participates in β ladder)trans-121.9128.7174.3-172.6-175.8177.300109.1I64 R66 K287 Y428I64-E426 PolarHBondContact N-O 3.13Å; I64-E426 PolarHBondContact O-N 3.02Å; R66-E426 IonicContact CZ-OE2 2.82Å; R66-E426 IonicContact NH1-OE2 3.76Å; R66-E426 PolarHBondContact NH1-OE2 3.15Å; R66-E426 IonicContact NH2-OE2 3.17Å; R66-E426 PolarHBondContact NH2-OE2 3.46Å; K287-E426 WeakPolarHBondContact CE-OE1 3.46Å; K287-E426 IonicContact NZ-OE1 3.45Å; K287-E426 PolarHBondContact NZ-OE1 2.82Å; E426-Y428 HydrophobicContact CG-CD2 4.1Å; E426-Y428 HydrophobicContact CG-CE2 3.5Å; E426-Y428 WeakPolarHBondContact OE1-CE2 3.35Å
427V95Very high94Very high34 Ų3435.5 Ų35.521%0.20619%0.188CC..EExtended strand (participates in β ladder)trans-145.3133.4-176.465.30000111T61 I63 G388 A389T61-V427 HydrophobicContact CG2-CG2 3.28Å; I63-V427 HydrophobicContact CB-CB 4.41Å; I63-V427 HydrophobicContact CB-CG2 4.49Å; I63-V427 HydrophobicContact CG1-CB 3.89Å; I63-V427 HydrophobicContact CG1-CG2 3.67Å; I63-V427 HydrophobicContact CG2-CB 4.41Å; G388-V427 CarbonylContact C-O 3.26Å; G388-V427 WeakPolarHBondContact CA-O 3.26Å; A389-V427 HydrophobicContact CB-CG1 3.72Å; A389-V427 PolarHBondContact N-O 3.31Å; A389-V427 PolarHBondContact O-N 2.85Å
428Y94.4Very high94Very high44 Ų4437.6 Ų37.617%0.17320%0.196CC..  trans-142.9137.7174.6-64.9-84.7000109.5T61 H285 P286 K287 Y378 E426T61-Y428 VanDerWaalsContact CG2-O 3.27Å; T61-Y428 WeakPolarHBondContact CG2-O 3.04Å; H285-Y428 AromaticContact CE1-CD1 3.67Å; H285-Y428 AromaticContact NE2-CD1 3.72Å; P286-Y428 HydrophobicContact CB-CE1 4.26Å; P286-Y428 HydrophobicContact CG-CE1 4.29Å; K287-Y428 HydrophobicContact CB-CD1 4.49Å; K287-Y428 HydrophobicContact CD-CD2 4.39Å; K287-Y428 HydrophobicContact CD-CE2 4.31Å; K287-Y428 VanDerWaalsContact CE-CD2 3.49Å; K287-Y428 HydrophobicContact CG-CD1 3.7Å; K287-Y428 HydrophobicContact CG-CD2 3.89Å; K287-Y428 HydrophobicContact CG-CE1 3.83Å; K287-Y428 HydrophobicContact CG-CE2 4.03Å; K287-Y428 HydrophobicContact CG-CG 3.73Å; Y378-Y428 HydrophobicContact CD2-CE1 4.03Å; Y378-Y428 HydrophobicContact CE2-CE1 4.21Å; E426-Y428 HydrophobicContact CG-CD2 4.1Å; E426-Y428 HydrophobicContact CG-CE2 3.5Å; E426-Y428 WeakPolarHBondContact OE1-CE2 3.35Å
429P91.6Very high93.9Very high25 Ų2541.6 Ų41.616%0.16222%0.215CC..  trans-57.9156.7170.4-21.533.2000111.6L387 T433 L434L387-P429 VanDerWaalsContact C-CD 3.48Å; L387-P429 WeakPolarHBondContact O-CD 3.47Å; P429-T433 HydrophobicContact CB-CG2 4.12Å; P429-L434 HydrophobicContact CB-CD2 4.31Å; P429-L434 HydrophobicContact CB-CG 4.46Å; P429-L434 HydrophobicContact CG-CD2 4.26Å
430P91.3Very high93.4Very high67 Ų6744 Ų4444%0.43523%0.226SC..  trans-53.6147.7171.5-24.634000112.2E432 T433 L434P430-E432 PolarHBondContact O-N 3.16Å; P430-E432 VanDerWaalsContact O-N 3.14Å; P430-T433 WeakPolarHBondContact O-CB 3.29Å; P430-T433 PolarHBondContact O-N 3.29Å; P430-L434 PolarHBondContact O-N 2.96Å; P430-L434 VanDerWaalsContact O-N 3.15Å
431M92.1Very high93.2Very high106 Ų10644 Ų4452%0.52223%0.226SC..Hα-helixtrans-57-32.3178.8-169.865.78300112.4K287 F288 L434 N435K287-M431 WeakPolarHBondContact O-CE 3.2Å; F288-M431 HydrophobicContact CB-SD 4.03Å; F288-M431 HydrophobicContact CD2-CE 4.29Å; F288-M431 HydrophobicContact CD2-SD 3.41Å; F288-M431 WeakPolarHBondContact CD2-SD 3.13Å; F288-M431 HydrophobicContact CE2-SD 4.03Å; F288-M431 HydrophobicContact CG-SD 3.88Å; M431-L434 PolarHBondContact O-N 3.44Å; M431-L434 HydrophobicContact SD-CD1 4.39Å; M431-N435 VanDerWaalsContact O-CB 3.32Å; M431-N435 WeakPolarHBondContact O-CB 3.35Å; M431-N435 PolarHBondContact O-N 2.92Å
432E90.7Very high92.7Very high156 Ų15646.5 Ų46.573%0.72924%0.238SC*.Hα-helixtrans-59.1-48.4173.6-175176.6-176.700111.6P430 L434 N435 T436P430-E432 PolarHBondContact O-N 3.16Å; P430-E432 VanDerWaalsContact O-N 3.14Å; E432-L434 PolarHBondContact O-N 2.85Å; E432-N435 PolarHBondContact O-N 2.86Å; E432-T436 WeakPolarHBondContact O-CB 3.35Å; E432-T436 PolarHBondContact O-N 3.41Å; E432-T436 PolarHBondContact O-OG1 3.23Å
433T90.4Very high92.4Very high59 Ų5946.6 Ų46.636%0.36224%0.241SC..Hα-helixtrans-60.3-45.1176.9-52.20000111.7P429 P430 N435 T436 L437P429-T433 HydrophobicContact CB-CG2 4.12Å; P430-T433 WeakPolarHBondContact O-CB 3.29Å; P430-T433 PolarHBondContact O-N 3.29Å; T433-N435 VanDerWaalsContact C-N 3.34Å; T433-N435 PolarHBondContact O-N 3.44Å; T433-T436 PolarHBondContact O-N 3.22Å; T433-L437 PolarHBondContact O-N 2.88Å
434L93.3Very high92.1Very high3 Ų348.7 Ų48.72%0.01626%0.257CS..Hα-helixtrans-61.8-42.2176.8-63.2177.8000111.7F288 L291 L387 P429 P430 M431 E432 Y438F288-L434 HydrophobicContact CB-CD1 3.89Å; F288-L434 HydrophobicContact CD1-CB 4.03Å; F288-L434 HydrophobicContact CG-CB 4.39Å; L291-L434 HydrophobicContact CD1-CB 4.25Å; L291-L434 HydrophobicContact CD1-CD2 4.26Å; L387-L434 HydrophobicContact CB-CD2 3.96Å; L387-L434 HydrophobicContact CD1-CD2 4.26Å; L387-L434 HydrophobicContact CD2-CD2 4.35Å; L387-L434 HydrophobicContact CG-CD2 4.43Å; P429-L434 HydrophobicContact CB-CD2 4.31Å; P429-L434 HydrophobicContact CB-CG 4.46Å; P429-L434 HydrophobicContact CG-CD2 4.26Å; P430-L434 PolarHBondContact O-N 2.96Å; P430-L434 VanDerWaalsContact O-N 3.15Å; M431-L434 PolarHBondContact O-N 3.44Å; M431-L434 HydrophobicContact SD-CD1 4.39Å; E432-L434 PolarHBondContact O-N 2.85Å; L434-Y438 WeakPolarHBondContact O-CB 3.49Å; L434-Y438 PolarHBondContact O-N 3.49Å
435N93.4Very high91.8Very high64 Ų6451.6 Ų51.634%0.34227%0.268SS..Hα-helixtrans-68.4-42.3178-175.864.1000111.8F288 M431 E432 T433 L437 Y438 Q439F288-N435 HydrophobicContact CZ-CB 4.49Å; M431-N435 VanDerWaalsContact O-CB 3.32Å; M431-N435 WeakPolarHBondContact O-CB 3.35Å; M431-N435 PolarHBondContact O-N 2.92Å; E432-N435 PolarHBondContact O-N 2.86Å; T433-N435 VanDerWaalsContact C-N 3.34Å; T433-N435 PolarHBondContact O-N 3.44Å; N435-L437 VanDerWaalsContact C-N 3.34Å; N435-L437 PolarHBondContact O-N 3.35Å; N435-Y438 WeakPolarHBondContact O-CB 3.16Å; N435-Y438 PolarHBondContact O-N 3.45Å; N435-Q439 WeakPolarHBondContact O-CG 3.35Å; N435-Q439 PolarHBondContact O-N 2.85Å
436T91Very high91.5Very high64 Ų6457 Ų5739%0.39329%0.288SS..Hα-helixtrans-58.1-47.2175.4-630000110.9E432 T433 Y438 Q439 M440E432-T436 WeakPolarHBondContact O-CB 3.35Å; E432-T436 PolarHBondContact O-N 3.41Å; E432-T436 PolarHBondContact O-OG1 3.23Å; T433-T436 PolarHBondContact O-N 3.22Å; T436-Y438 PolarHBondContact O-N 3.4Å; T436-Q439 PolarHBondContact O-N 2.99Å; T436-M440 VanDerWaalsContact O-CB 3.27Å; T436-M440 WeakPolarHBondContact O-CB 3.21Å; T436-M440 PolarHBondContact O-N 2.91Å
437L92.1Very high91.2Very high16 Ų1663.1 Ų63.18%0.08431%0.31CS..Hα-helixtrans-60.9-46.3176.1-17474000111.7D380 T383 L385 L387 T433 N435 Q439 M440 V441D380-L437 HydrophobicContact CB-CD2 4.35Å; T383-L437 HydrophobicContact CG2-CD1 4.21Å; L385-L437 HydrophobicContact CD1-CD1 3.82Å; L387-L437 HydrophobicContact CD1-CD2 3.55Å; L387-L437 HydrophobicContact CD2-CD2 3.59Å; L387-L437 HydrophobicContact CG-CD2 4.16Å; T433-L437 PolarHBondContact O-N 2.88Å; N435-L437 VanDerWaalsContact C-N 3.34Å; N435-L437 PolarHBondContact O-N 3.35Å; L437-Q439 VanDerWaalsContact C-N 3.31Å; L437-Q439 PolarHBondContact O-N 2.88Å; L437-M440 PolarHBondContact O-N 3.28Å; L437-V441 HydrophobicContact CD1-CG2 3.63Å; L437-V441 HydrophobicContact CG-CG2 4.05Å; L437-V441 WeakPolarHBondContact O-CB 3.47Å; L437-V441 VanDerWaalsContact O-CG2 3.29Å; L437-V441 WeakPolarHBondContact O-CG2 3.4Å; L437-V441 PolarHBondContact O-N 3.41Å
438Y93.9Very high91Very high57 Ų5764.6 Ų64.622%0.22432%0.317CS..Hα-helixtrans-56.8-44.8176.9172.8-93000112.1F288 K290 L291 L434 N435 T436 Q442 S443F288-Y438 HydrophobicContact CE1-CG 4.22Å; K290-Y438 HydrophobicContact CB-CD2 4.17Å; K290-Y438 HydrophobicContact CB-CE2 3.97Å; L291-Y438 HydrophobicContact CD2-CD2 3.88Å; L291-Y438 HydrophobicContact CD2-CG 4.37Å; L291-Y438 HydrophobicContact CG-CD2 4.34Å; L434-Y438 WeakPolarHBondContact O-CB 3.49Å; L434-Y438 PolarHBondContact O-N 3.49Å; N435-Y438 WeakPolarHBondContact O-CB 3.16Å; N435-Y438 PolarHBondContact O-N 3.45Å; T436-Y438 PolarHBondContact O-N 3.4Å; Y438-Q442 HydrophobicContact CD2-CB 4.07Å; Y438-Q442 HydrophobicContact CE2-CB 4.14Å; Y438-Q442 PolarHBondContact O-N 2.87Å; Y438-S443 PolarHBondContact O-N 2.82Å
439Q91.9Very high90.9Very high88 Ų8863.9 Ų63.941%0.41132%0.316SS..Iπ-helixtrans-66.5-45.1178.4-66-57.8-22.100111.8N435 T436 L437 V441 S443 S444N435-Q439 WeakPolarHBondContact O-CG 3.35Å; N435-Q439 PolarHBondContact O-N 2.85Å; T436-Q439 PolarHBondContact O-N 2.99Å; L437-Q439 VanDerWaalsContact C-N 3.31Å; L437-Q439 PolarHBondContact O-N 2.88Å; Q439-V441 PolarHBondContact O-N 3.45Å; Q439-S443 WeakPolarHBondContact O-CB 3.3Å; Q439-S443 PolarHBondContact OE1-OG 3.25Å; Q439-S444 PolarHBondContact O-N 2.99Å; Q439-S444 VanDerWaalsContact O-N 3.16Å; Q439-S444 PolarHBondContact O-OG 3.42Å
440M88.3Confident90.9Very high52 Ų5268 Ų6826%0.25633%0.328SS..Iπ-helixtrans-67-38.2-177.4-173179.6-162.300112.7F43 T436 L437 S444F43-M440 HydrophobicContact CB-CE 3.32Å; F43-M440 HydrophobicContact CD1-CE 3.37Å; F43-M440 HydrophobicContact CD2-CE 3.92Å; F43-M440 HydrophobicContact CE1-CE 4.1Å; F43-M440 HydrophobicContact CG-CE 3.26Å; T436-M440 VanDerWaalsContact O-CB 3.27Å; T436-M440 WeakPolarHBondContact O-CB 3.21Å; T436-M440 PolarHBondContact O-N 2.91Å; L437-M440 PolarHBondContact O-N 3.28Å; M440-S444 VanDerWaalsContact O-CB 3.27Å; M440-S444 WeakPolarHBondContact O-CB 3.42Å; M440-S444 PolarHBondContact O-OG 2.97Å
441V90.3Very high91Very high3 Ų367.4 Ų67.42%0.01833%0.329CS..Iπ-helixtrans-99.8-71.1-171.8-175.60000110.5F36 I40 L382 T383 L437 Q439 K445F36-V441 VanDerWaalsContact CZ-O 3.31Å; F36-V441 WeakPolarHBondContact CZ-O 3.15Å; I40-V441 HydrophobicContact CD1-CB 4.15Å; I40-V441 HydrophobicContact CD1-CG1 3.77Å; I40-V441 HydrophobicContact CD1-CG2 3.86Å; L382-V441 HydrophobicContact CD2-CG1 3.78Å; T383-V441 HydrophobicContact CG2-CG1 4.15Å; T383-V441 HydrophobicContact CG2-CG2 3.62Å; L437-V441 HydrophobicContact CD1-CG2 3.63Å; L437-V441 HydrophobicContact CG-CG2 4.05Å; L437-V441 WeakPolarHBondContact O-CB 3.47Å; L437-V441 VanDerWaalsContact O-CG2 3.29Å; L437-V441 WeakPolarHBondContact O-CG2 3.4Å; L437-V441 PolarHBondContact O-N 3.41Å; Q439-V441 PolarHBondContact O-N 3.45Å; V441-K445 WeakPolarHBondContact O-CB 3.4Å; V441-K445 PolarHBondContact O-N 3.37Å; V441-K445 VanDerWaalsContact O-N 3.07Å
442Q87.3Confident91Very high53 Ų5362.8 Ų62.825%0.24831%0.306CS..Iπ-helixtrans-75.7-46.6-167.1-61.4-170.72.300112.1K290 L291 Y438 K445 Y446K290-Q442 PolarHBondContact O-OE1 2.82Å; L291-Q442 HydrophobicContact CD2-CG 4.39Å; Y438-Q442 HydrophobicContact CD2-CB 4.07Å; Y438-Q442 HydrophobicContact CE2-CB 4.14Å; Y438-Q442 PolarHBondContact O-N 2.87Å; Q442-K445 PolarHBondContact O-N 2.91Å; Q442-Y446 VanDerWaalsContact O-CB 3.31Å; Q442-Y446 WeakPolarHBondContact O-CB 3.3Å; Q442-Y446 PolarHBondContact O-N 3.15Å
443S88.9Confident91.1Very high16 Ų1660.7 Ų60.711%0.11229%0.293CS..Iπ-helixtrans-62.6-46.5177.9-170.90000111.1Y438 Q439 K445 Y446 W447Y438-S443 PolarHBondContact O-N 2.82Å; Q439-S443 WeakPolarHBondContact O-CB 3.3Å; Q439-S443 PolarHBondContact OE1-OG 3.25Å; S443-K445 PolarHBondContact O-N 3.27Å; S443-Y446 WeakPolarHBondContact O-CB 3.24Å; S443-Y446 PolarHBondContact O-N 3.27Å; S443-W447 PolarHBondContact O-N 2.99Å
444S90.2Very high91.3Very high57 Ų5762.2 Ų62.240%0.39930%0.298SS..Hα-helixtrans-62.9-43.4179.1-63.80000112.3Q439 M440 Y446 L448Q439-S444 PolarHBondContact O-N 2.99Å; Q439-S444 VanDerWaalsContact O-N 3.16Å; Q439-S444 PolarHBondContact O-OG 3.42Å; M440-S444 VanDerWaalsContact O-CB 3.27Å; M440-S444 WeakPolarHBondContact O-CB 3.42Å; M440-S444 PolarHBondContact O-OG 2.97Å; S444-Y446 PolarHBondContact O-N 3.49Å; S444-L448 WeakPolarHBondContact O-CB 3.45Å; S444-L448 PolarHBondContact O-N 3.31Å
445K89.4Confident91.3Very high69 Ų6966.3 Ų66.330%0.332%0.319SS..Hα-helixtrans-60.5-45.7174.3-173176.4-178.31760111.6D33 F36 V441 Q442 S443 L448 N449D33-K445 WeakPolarHBondContact OD1-CE 3Å; D33-K445 IonicContact OD1-NZ 3.66Å; D33-K445 PolarHBondContact OD1-NZ 3.39Å; F36-K445 HydrophobicContact CD1-CB 4.27Å; F36-K445 HydrophobicContact CD1-CD 4.12Å; F36-K445 HydrophobicContact CD1-CG 4.12Å; F36-K445 HydrophobicContact CD2-CB 4.47Å; F36-K445 HydrophobicContact CE1-CB 3.81Å; F36-K445 HydrophobicContact CE1-CD 3.99Å; F36-K445 HydrophobicContact CE1-CG 4.07Å; F36-K445 HydrophobicContact CE2-CB 4.05Å; F36-K445 HydrophobicContact CG-CG 4.5Å; F36-K445 HydrophobicContact CZ-CB 3.71Å; F36-K445 HydrophobicContact CZ-CG 4.44Å; V441-K445 WeakPolarHBondContact O-CB 3.4Å; V441-K445 PolarHBondContact O-N 3.37Å; V441-K445 VanDerWaalsContact O-N 3.07Å; Q442-K445 PolarHBondContact O-N 2.91Å; S443-K445 PolarHBondContact O-N 3.27Å; K445-L448 PolarHBondContact O-N 2.99Å; K445-N449 PolarHBondContact O-N 2.89Å; K445-N449 VanDerWaalsContact O-N 3.08Å
446Y89.6Confident91.4Very high130 Ų13063.7 Ų63.751%0.5131%0.307SS..Hα-helixtrans-59.7-52.6179178.9-94.6000111.6Q442 S443 S444 L448 N449 W450Q442-Y446 VanDerWaalsContact O-CB 3.31Å; Q442-Y446 WeakPolarHBondContact O-CB 3.3Å; Q442-Y446 PolarHBondContact O-N 3.15Å; S443-Y446 WeakPolarHBondContact O-CB 3.24Å; S443-Y446 PolarHBondContact O-N 3.27Å; S444-Y446 PolarHBondContact O-N 3.49Å; Y446-L448 PolarHBondContact O-N 3.23Å; Y446-N449 PolarHBondContact O-N 3.42Å; Y446-W450 AromaticContact CD1-CD1 3.64Å; Y446-W450 AromaticContact CD2-CD1 3.9Å; Y446-W450 AromaticContact CD2-NE1 3.81Å; Y446-W450 AromaticContact CE1-CD1 3.33Å; Y446-W450 HydrophobicContact CE1-CG 4.34Å; Y446-W450 AromaticContact CE1-NE1 3.48Å; Y446-W450 AromaticContact CE2-CD1 3.62Å; Y446-W450 AromaticContact CE2-NE1 3.11Å; Y446-W450 AromaticContact CG-CD1 3.92Å; Y446-W450 AromaticContact CZ-CD1 3.33Å; Y446-W450 AromaticContact CZ-CE2 3.94Å; Y446-W450 AromaticContact CZ-NE1 2.92Å; Y446-W450 VanDerWaalsContact O-CD1 3.25Å; Y446-W450 PolarHBondContact O-N 2.97Å; Y446-W450 PolarHBondContact OH-NE1 3.46Å
447W91Very high91.5Very high162 Ų16262.2 Ų62.261%0.61431%0.305SS*.Hα-helixtrans-66.4-35-179.5-78112.3000113.3S443 W450 A451S443-W447 PolarHBondContact O-N 2.99Å; W447-W450 PolarHBondContact O-N 3.33Å; W447-A451 WeakPolarHBondContact O-CB 3.32Å; W447-A451 PolarHBondContact O-N 2.94Å
448L90.5Very high91.6Very high66 Ų6665.8 Ų65.835%0.34632%0.323SS..Hα-helixtrans-60.7-47.4173.7-174.367.2000110.7V32 F36 S444 K445 Y446 A451 V452V32-L448 HydrophobicContact CG2-CD2 3.46Å; V32-L448 VanDerWaalsContact CG2-CD2 3.46Å; V32-L448 HydrophobicContact CG2-CG 3.57Å; F36-L448 HydrophobicContact CB-CD2 4.17Å; F36-L448 HydrophobicContact CD2-CD2 4.2Å; S444-L448 WeakPolarHBondContact O-CB 3.45Å; S444-L448 PolarHBondContact O-N 3.31Å; K445-L448 PolarHBondContact O-N 2.99Å; Y446-L448 PolarHBondContact O-N 3.23Å; L448-A451 PolarHBondContact O-N 2.93Å; L448-V452 WeakPolarHBondContact O-CG2 3.09Å; L448-V452 PolarHBondContact O-N 3.37Å
449N91.1Very high91.6Very high28 Ų2863.4 Ų63.415%0.1532%0.315CS..Hα-helixtrans-62.2-45176.7-76.2-21.7000112.1V32 K445 Y446 A451 V452 Y453V32-N449 WeakPolarHBondContact CG1-OD1 3.08Å; K445-N449 PolarHBondContact O-N 2.89Å; K445-N449 VanDerWaalsContact O-N 3.08Å; Y446-N449 PolarHBondContact O-N 3.42Å; N449-A451 VanDerWaalsContact C-N 3.34Å; N449-A451 PolarHBondContact O-N 3.49Å; N449-V452 PolarHBondContact O-N 3.06Å; N449-Y453 HydrophobicContact CB-CE2 4.07Å; N449-Y453 WeakPolarHBondContact O-CD2 3.46Å; N449-Y453 PolarHBondContact O-N 2.9Å
450W92.8Very high91.7Very high112 Ų11263 Ų6342%0.42432%0.315SS..Hα-helixtrans-63.2-37.6176.2-84.4101.5000113.4Y446 W447 V452 Y453 I454Y446-W450 AromaticContact CD1-CD1 3.64Å; Y446-W450 AromaticContact CD2-CD1 3.9Å; Y446-W450 AromaticContact CD2-NE1 3.81Å; Y446-W450 AromaticContact CE1-CD1 3.33Å; Y446-W450 HydrophobicContact CE1-CG 4.34Å; Y446-W450 AromaticContact CE1-NE1 3.48Å; Y446-W450 AromaticContact CE2-CD1 3.62Å; Y446-W450 AromaticContact CE2-NE1 3.11Å; Y446-W450 AromaticContact CG-CD1 3.92Å; Y446-W450 AromaticContact CZ-CD1 3.33Å; Y446-W450 AromaticContact CZ-CE2 3.94Å; Y446-W450 AromaticContact CZ-NE1 2.92Å; Y446-W450 VanDerWaalsContact O-CD1 3.25Å; Y446-W450 PolarHBondContact O-N 2.97Å; Y446-W450 PolarHBondContact OH-NE1 3.46Å; W447-W450 PolarHBondContact O-N 3.33Å; W450-V452 VanDerWaalsContact C-N 3.31Å; W450-V452 PolarHBondContact O-N 3.44Å; W450-Y453 PolarHBondContact O-N 3.04Å; W450-I454 HydrophobicContact CE3-CD1 4.47Å; W450-I454 HydrophobicContact CE3-CG1 4.39Å; W450-I454 WeakPolarHBondContact O-CB 3.44Å; W450-I454 WeakPolarHBondContact O-CG1 3.37Å; W450-I454 PolarHBondContact O-N 3.26Å
451A92.3Very high92Very high54 Ų5466.1 Ų66.145%0.44633%0.332SS..Hα-helixtrans-60.4-42.1175.100000111.3W447 L448 N449 L455W447-A451 WeakPolarHBondContact O-CB 3.32Å; W447-A451 PolarHBondContact O-N 2.94Å; L448-A451 PolarHBondContact O-N 2.93Å; N449-A451 VanDerWaalsContact C-N 3.34Å; N449-A451 PolarHBondContact O-N 3.49Å; A451-L455 WeakPolarHBondContact O-CB 3.38Å; A451-L455 PolarHBondContact O-N 3.28Å
452V92.5Very high92.1Very high9 Ų968.4 Ų68.46%0.05535%0.346CS..Hα-helixtrans-63.6-44.6175-179.50000111.2C25 L28 H29 V32 L448 N449 W450 G456C25-V452 HydrophobicContact CB-CG1 4.47Å; C25-V452 WeakPolarHBondContact O-CG1 3.36Å; L28-V452 HydrophobicContact CB-CG1 4.47Å; L28-V452 HydrophobicContact CD2-CG2 3.6Å; L28-V452 HydrophobicContact CG-CG2 3.88Å; H29-V452 HydrophobicContact CB-CG1 4.04Å; V32-V452 HydrophobicContact CG2-CG2 4.38Å; L448-V452 WeakPolarHBondContact O-CG2 3.09Å; L448-V452 PolarHBondContact O-N 3.37Å; N449-V452 PolarHBondContact O-N 3.06Å; W450-V452 VanDerWaalsContact C-N 3.31Å; W450-V452 PolarHBondContact O-N 3.44Å; V452-G456 PolarHBondContact O-N 3.03Å
453Y92.7Very high92.4Very high112 Ų11266.9 Ų66.944%0.43934%0.339SS..Hα-helixtrans-65.5-44.6178.8-62.7-41.7000113.1H29 N449 W450 G456 G457H29-Y453 AromaticContact CE1-CE1 3.55Å; H29-Y453 AromaticContact CE1-CZ 3.82Å; H29-Y453 PolarHBondContact CE1-OH 3.12Å; H29-Y453 AromaticContact ND1-CE1 3.35Å; H29-Y453 VanDerWaalsContact ND1-CE1 3.35Å; H29-Y453 WeakPolarHBondContact ND1-CE1 3.17Å; H29-Y453 AromaticContact ND1-CZ 3.81Å; H29-Y453 PolarHBondContact ND1-OH 2.96Å; N449-Y453 HydrophobicContact CB-CE2 4.07Å; N449-Y453 WeakPolarHBondContact O-CD2 3.46Å; N449-Y453 PolarHBondContact O-N 2.9Å; W450-Y453 PolarHBondContact O-N 3.04Å; Y453-G456 PolarHBondContact O-N 3.46Å; Y453-G457 PolarHBondContact O-N 2.75Å
454I94.4Very high92.5Very high91 Ų9170.5 Ų70.547%0.46736%0.357SS..Hα-helixtrans-64.2-47.3178.7-69166.5000109.7W450 G456 G457 I458W450-I454 HydrophobicContact CE3-CD1 4.47Å; W450-I454 HydrophobicContact CE3-CG1 4.39Å; W450-I454 WeakPolarHBondContact O-CB 3.44Å; W450-I454 WeakPolarHBondContact O-CG1 3.37Å; W450-I454 PolarHBondContact O-N 3.26Å; I454-G456 PolarHBondContact O-N 2.99Å; I454-G457 PolarHBondContact O-N 2.87Å; I454-I458 HydrophobicContact CG2-CD1 3.87Å; I454-I458 VanDerWaalsContact O-CG1 3.3Å; I454-I458 WeakPolarHBondContact O-CG1 3.39Å; I454-I458 PolarHBondContact O-N 3.36Å
455L94.1Very high92.7Very high89 Ų8974.6 Ų74.647%0.46637%0.368SS..Hα-helixtrans-63.6-42.6178.9-173.763.5000111.6A451 I458 C459A451-L455 WeakPolarHBondContact O-CB 3.38Å; A451-L455 PolarHBondContact O-N 3.28Å; L455-I458 PolarHBondContact O-N 3.47Å; L455-C459 PolarHBondContact O-N 2.78Å; L455-C459 PolarHBondContact O-SG 2.93Å
456G94.2Very high92.8Very high9 Ų971.8 Ų71.89%0.09336%0.356CS..Hα-helixtrans-60.4-43.9173.700000112.5F22 V452 Y453 I454 C459 L460F22-G456 WeakPolarHBondContact CD2-O 2.95Å; V452-G456 PolarHBondContact O-N 3.03Å; Y453-G456 PolarHBondContact O-N 3.46Å; I454-G456 PolarHBondContact O-N 2.99Å; G456-C459 PolarHBondContact O-N 2.87Å; G456-L460 PolarHBondContact O-N 3.5Å
457G94.4Very high92.8Very high33 Ų3367.6 Ų67.634%0.3434%0.344SS..Hα-helixtrans-62.9-43.8176.300000113Y453 I454 C459 L460 L461Y453-G457 PolarHBondContact O-N 2.75Å; I454-G457 PolarHBondContact O-N 2.87Å; G457-C459 PolarHBondContact O-N 3.24Å; G457-L460 PolarHBondContact O-N 2.89Å; G457-L461 WeakPolarHBondContact O-CG 3.37Å; G457-L461 PolarHBondContact O-N 3.2Å
458I94.4Very high92.8Very high91 Ų9164.3 Ų64.347%0.46734%0.337SS..Hα-helixtrans-60.5-45.9174.7-68.1166.5000110.2I454 L455 L460 L461 V462I454-I458 HydrophobicContact CG2-CD1 3.87Å; I454-I458 VanDerWaalsContact O-CG1 3.3Å; I454-I458 WeakPolarHBondContact O-CG1 3.39Å; I454-I458 PolarHBondContact O-N 3.36Å; L455-I458 PolarHBondContact O-N 3.47Å; I458-L460 VanDerWaalsContact C-N 3.31Å; I458-L460 PolarHBondContact O-N 3.32Å; I458-L461 PolarHBondContact O-N 3.28Å; I458-V462 WeakPolarHBondContact O-CG2 3.39Å; I458-V462 PolarHBondContact O-N 3.47Å
459C93.6Very high92.7Very high7 Ų763.1 Ų63.15%0.04733%0.333CS..Hα-helixtrans-60.4-41.6178.1-66.30000111.7L21 F22 L455 G456 G457 V462 I463L21-C459 VanDerWaalsContact CB-SG 3.59Å; F22-C459 HydrophobicContact CB-CB 3.84Å; F22-C459 HydrophobicContact CD2-CB 4.18Å; L455-C459 PolarHBondContact O-N 2.78Å; L455-C459 PolarHBondContact O-SG 2.93Å; G456-C459 PolarHBondContact O-N 2.87Å; G457-C459 PolarHBondContact O-N 3.24Å; C459-V462 PolarHBondContact O-N 3.34Å; C459-I463 VanDerWaalsContact O-CG1 3.24Å; C459-I463 WeakPolarHBondContact O-CG1 3.32Å; C459-I463 PolarHBondContact O-N 2.86Å
460L93.8Very high92.6Very high79 Ų7962.9 Ų62.941%0.41433%0.331SS..Hα-helixtrans-63.1-42.5176.5-172.167.6000112.3F22 G456 G457 I458 V462 I463 L464F22-L460 HydrophobicContact CD2-CB 4.22Å; F22-L460 HydrophobicContact CE2-CB 4Å; F22-L460 HydrophobicContact CE2-CD1 4.15Å; F22-L460 HydrophobicContact CZ-CD1 4.26Å; G456-L460 PolarHBondContact O-N 3.5Å; G457-L460 PolarHBondContact O-N 2.89Å; I458-L460 VanDerWaalsContact C-N 3.31Å; I458-L460 PolarHBondContact O-N 3.32Å; L460-V462 VanDerWaalsContact C-N 3.34Å; L460-V462 PolarHBondContact O-N 3.03Å; L460-I463 WeakPolarHBondContact O-CB 3.46Å; L460-I463 PolarHBondContact O-N 3.4Å; L460-L464 HydrophobicContact CG-CD1 4.48Å; L460-L464 WeakPolarHBondContact O-CG 3.49Å; L460-L464 PolarHBondContact O-N 3.09Å
461L93.7Very high92.3Very high119 Ų11961 Ų6162%0.62333%0.329SS*.Hα-helixtrans-62.9-40176.5-71.5174.7000112.1G457 I458 L464 F465G457-L461 WeakPolarHBondContact O-CG 3.37Å; G457-L461 PolarHBondContact O-N 3.2Å; I458-L461 PolarHBondContact O-N 3.28Å; L461-L464 PolarHBondContact O-N 2.87Å; L461-F465 WeakPolarHBondContact O-CB 3.36Å; L461-F465 PolarHBondContact O-N 2.78Å
462V92.8Very high92.1Very high50 Ų5066.1 Ų66.130%0.30334%0.336SS..Hα-helixtrans-66.3-39.4175.9179.50000111S18 I458 C459 L460 F465 T466S18-V462 WeakPolarHBondContact OG-CG1 3.35Å; I458-V462 WeakPolarHBondContact O-CG2 3.39Å; I458-V462 PolarHBondContact O-N 3.47Å; C459-V462 PolarHBondContact O-N 3.34Å; L460-V462 VanDerWaalsContact C-N 3.34Å; L460-V462 PolarHBondContact O-N 3.03Å; V462-F465 PolarHBondContact O-N 3.4Å; V462-T466 HydrophobicContact CG1-CG2 4.12Å; V462-T466 WeakPolarHBondContact O-CB 3.43Å; V462-T466 VanDerWaalsContact O-CG2 3.28Å; V462-T466 WeakPolarHBondContact O-CG2 3.28Å; V462-T466 PolarHBondContact O-N 3.08Å; V462-T466 PolarHBondContact O-OG1 3.25Å
463I93.2Very high91.7Very high21 Ų2167.7 Ų67.711%0.10834%0.344CS..Hα-helixtrans-59.7-46.5173-70167.2000110.5F15 L19 F22 C459 L460 F465 T466 T467F15-I463 HydrophobicContact CD2-CG2 4.16Å; F15-I463 HydrophobicContact CE2-CG2 3.69Å; L19-I463 HydrophobicContact CB-CD1 4.49Å; L19-I463 HydrophobicContact CD1-CD1 4.33Å; F22-I463 HydrophobicContact CB-CD1 3.83Å; F22-I463 HydrophobicContact CG-CD1 4.12Å; C459-I463 VanDerWaalsContact O-CG1 3.24Å; C459-I463 WeakPolarHBondContact O-CG1 3.32Å; C459-I463 PolarHBondContact O-N 2.86Å; L460-I463 WeakPolarHBondContact O-CB 3.46Å; L460-I463 PolarHBondContact O-N 3.4Å; I463-F465 PolarHBondContact O-N 3.25Å; I463-T466 WeakPolarHBondContact CA-OG1 3.22Å; I463-T466 PolarHBondContact O-OG1 2.94Å; I463-T466 VanDerWaalsContact O-OG1 3.04Å; I463-T467 HydrophobicContact CG2-CG2 4.48Å; I463-T467 WeakPolarHBondContact O-CB 3.32Å; I463-T467 WeakPolarHBondContact O-CG2 3.06Å; I463-T467 PolarHBondContact O-N 3.18Å; I463-T467 PolarHBondContact O-OG1 3.35Å
464L92.8Very high91.3Very high93 Ų9364.4 Ų64.449%0.48734%0.34SS..Hα-helixtrans-64.4-40.8177.8-70172.6000112.3L460 L461 T467 M468L460-L464 HydrophobicContact CG-CD1 4.48Å; L460-L464 WeakPolarHBondContact O-CG 3.49Å; L460-L464 PolarHBondContact O-N 3.09Å; L461-L464 PolarHBondContact O-N 2.87Å; L464-T467 VanDerWaalsContact CA-OG1 3.32Å; L464-T467 WeakPolarHBondContact CA-OG1 3.42Å; L464-T467 PolarHBondContact O-OG1 2.88Å; L464-M468 WeakPolarHBondContact O-CB 3.21Å; L464-M468 VanDerWaalsContact O-CG 3.22Å; L464-M468 WeakPolarHBondContact O-CG 3.25Å; L464-M468 PolarHBondContact O-N 3.32Å
465F92.6Very high90.9Very high143 Ų14368.6 Ų68.663%0.62735%0.35SS*.Hα-helixtrans-68.4-44.5178.6-177.9-96000112.3L461 V462 I463 M468 T469L461-F465 WeakPolarHBondContact O-CB 3.36Å; L461-F465 PolarHBondContact O-N 2.78Å; V462-F465 PolarHBondContact O-N 3.4Å; I463-F465 PolarHBondContact O-N 3.25Å; F465-M468 PolarHBondContact O-N 3.47Å; F465-T469 WeakPolarHBondContact O-CB 3.21Å; F465-T469 PolarHBondContact O-N 3.31Å; F465-T469 PolarHBondContact O-OG1 3.16Å
466T91.3Very high90.2Very high10 Ų1073.4 Ų73.46%0.06136%0.362CS..Hα-helixtrans-66.2-42.6178.651.40000111.2F14 V462 I463 T469 I470F14-T466 HydrophobicContact CB-CG2 3.86Å; V462-T466 HydrophobicContact CG1-CG2 4.12Å; V462-T466 WeakPolarHBondContact O-CB 3.43Å; V462-T466 VanDerWaalsContact O-CG2 3.28Å; V462-T466 WeakPolarHBondContact O-CG2 3.28Å; V462-T466 PolarHBondContact O-N 3.08Å; V462-T466 PolarHBondContact O-OG1 3.25Å; I463-T466 WeakPolarHBondContact CA-OG1 3.22Å; I463-T466 PolarHBondContact O-OG1 2.94Å; I463-T466 VanDerWaalsContact O-OG1 3.04Å; T466-T469 PolarHBondContact O-N 2.93Å; T466-I470 WeakPolarHBondContact O-CB 3.48Å; T466-I470 WeakPolarHBondContact O-CD1 3.36Å; T466-I470 WeakPolarHBondContact O-CG1 3.38Å; T466-I470 PolarHBondContact O-N 3.13Å
467T91.1Very high89.4Confident41 Ų4178.5 Ų78.525%0.25238%0.378SS..Hα-helixtrans-61.3-47173.749.90000112.2F15 I463 L464 T469 I470 I471F15-T467 HydrophobicContact CD2-CG2 3.68Å; F15-T467 HydrophobicContact CE2-CG2 3.31Å; F15-T467 HydrophobicContact CZ-CG2 4.36Å; I463-T467 HydrophobicContact CG2-CG2 4.48Å; I463-T467 WeakPolarHBondContact O-CB 3.32Å; I463-T467 WeakPolarHBondContact O-CG2 3.06Å; I463-T467 PolarHBondContact O-N 3.18Å; I463-T467 PolarHBondContact O-OG1 3.35Å; L464-T467 VanDerWaalsContact CA-OG1 3.32Å; L464-T467 WeakPolarHBondContact CA-OG1 3.42Å; L464-T467 PolarHBondContact O-OG1 2.88Å; T467-T469 VanDerWaalsContact C-N 3.27Å; T467-T469 PolarHBondContact O-N 2.94Å; T467-I470 PolarHBondContact O-N 3.46Å; T467-I471 WeakPolarHBondContact O-CB 3.45Å; T467-I471 VanDerWaalsContact O-CG1 3.25Å; T467-I471 WeakPolarHBondContact O-CG1 3.21Å; T467-I471 PolarHBondContact O-N 2.88Å
468M90.4Very high88.6Confident94 Ų9482.3 Ų82.346%0.46339%0.391SS..Hα-helixtrans-59.2-39.3175.5-77.6-65.3-6900112.3L464 F465 R472L464-M468 WeakPolarHBondContact O-CB 3.21Å; L464-M468 VanDerWaalsContact O-CG 3.22Å; L464-M468 WeakPolarHBondContact O-CG 3.25Å; L464-M468 PolarHBondContact O-N 3.32Å; F465-M468 PolarHBondContact O-N 3.47Å; M468-R472 WeakPolarHBondContact O-CB 3.28Å; M468-R472 VanDerWaalsContact O-CG 3.28Å; M468-R472 WeakPolarHBondContact O-CG 3.45Å; M468-R472 PolarHBondContact O-N 3.35Å
469T88.7Confident87.7Confident41 Ų4188.7 Ų88.725%0.25241%0.409SS..Hα-helixtrans-67.6-44.4177.4-57.80000111.3F465 T466 T467 R472 I473F465-T469 WeakPolarHBondContact O-CB 3.21Å; F465-T469 PolarHBondContact O-N 3.31Å; F465-T469 PolarHBondContact O-OG1 3.16Å; T466-T469 PolarHBondContact O-N 2.93Å; T467-T469 VanDerWaalsContact C-N 3.27Å; T467-T469 PolarHBondContact O-N 2.94Å; T469-R472 PolarHBondContact O-N 3.46Å; T469-I473 HydrophobicContact CG2-CD1 3.98Å; T469-I473 VanDerWaalsContact O-CG1 3.27Å; T469-I473 WeakPolarHBondContact O-CG1 3.27Å; T469-I473 PolarHBondContact O-N 2.95Å
470I87.9Confident86.7Confident22 Ų2296 Ų9611%0.11344%0.444CS..Hα-helixtrans-60.2-46.5175.1-68.4162.9000110.4A11 Y12 T466 T467 R472 I473 A474A11-I470 HydrophobicContact CB-CD1 4.25Å; A11-I470 HydrophobicContact CB-CG1 3.84Å; Y12-I470 HydrophobicContact CD1-CD1 3.94Å; Y12-I470 HydrophobicContact CE1-CD1 3.95Å; Y12-I470 HydrophobicContact CE1-CG2 4.32Å; T466-I470 WeakPolarHBondContact O-CB 3.48Å; T466-I470 WeakPolarHBondContact O-CD1 3.36Å; T466-I470 WeakPolarHBondContact O-CG1 3.38Å; T466-I470 PolarHBondContact O-N 3.13Å; T467-I470 PolarHBondContact O-N 3.46Å; I470-R472 PolarHBondContact O-N 3.4Å; I470-I473 PolarHBondContact O-N 3.32Å; I470-A474 WeakPolarHBondContact O-CB 3.45Å; I470-A474 PolarHBondContact O-N 3.49Å
471I88.1Confident85.1Confident74 Ų74103.7 Ų103.738%0.37947%0.468SS..Hα-helixtrans-60.9-44.8177-68.2165.5000111T467 A474 R475T467-I471 WeakPolarHBondContact O-CB 3.45Å; T467-I471 VanDerWaalsContact O-CG1 3.25Å; T467-I471 WeakPolarHBondContact O-CG1 3.21Å; T467-I471 PolarHBondContact O-N 2.88Å; I471-A474 PolarHBondContact O-N 2.99Å; I471-R475 HydrophobicContact CG2-CG 4.41Å; I471-R475 WeakPolarHBondContact O-CB 3.4Å; I471-R475 WeakPolarHBondContact O-CG 3.46Å; I471-R475 PolarHBondContact O-N 3.04Å
472R87.3Confident84.6Confident160 Ų160102.9 Ų102.960%0.60446%0.46SS*.Hα-helixtrans-62.1-43.5177.7-78.1176.3178.7179.31.2111.9M468 T469 I470 R476M468-R472 WeakPolarHBondContact O-CB 3.28Å; M468-R472 VanDerWaalsContact O-CG 3.28Å; M468-R472 WeakPolarHBondContact O-CG 3.45Å; M468-R472 PolarHBondContact O-N 3.35Å; T469-R472 PolarHBondContact O-N 3.46Å; I470-R472 PolarHBondContact O-N 3.4Å; R472-R476 WeakPolarHBondContact O-CG 3.4Å; R472-R476 PolarHBondContact O-N 3.13Å
473I85.1Confident84.2Confident42 Ų42105.7 Ų105.722%0.21547%0.468CS..Hα-helixtrans-65-43.6177-65.9167.8000110.3C7 M8 T469 I470 R476 R477C7-I473 HydrophobicContact CB-CD1 4.48Å; M8-I473 HydrophobicContact CE-CG2 3.65Å; T469-I473 HydrophobicContact CG2-CD1 3.98Å; T469-I473 VanDerWaalsContact O-CG1 3.27Å; T469-I473 WeakPolarHBondContact O-CG1 3.27Å; T469-I473 PolarHBondContact O-N 2.95Å; I470-I473 PolarHBondContact O-N 3.32Å; I473-R476 PolarHBondContact O-N 3.42Å; I473-R477 PolarHBondContact O-N 3.4Å
474A83.8Confident83.7Confident43 Ų43110.4 Ų110.436%0.35549%0.488SS..Hα-helixtrans-62.3-46.2177.600000112.3I470 I471 R476 R477 N478I470-A474 WeakPolarHBondContact O-CB 3.45Å; I470-A474 PolarHBondContact O-N 3.49Å; I471-A474 PolarHBondContact O-N 2.99Å; A474-R476 PolarHBondContact O-N 3.37Å; A474-R477 PolarHBondContact O-N 3.04Å; A474-N478 PolarHBondContact O-N 3.35Å
475R84.6Confident83.2Confident179 Ų179111.4 Ų111.468%0.67549%0.488SS*.Hα-helixtrans-60.5-42.6175.3-75.4-178.9179.8178.21.3112.5I471 R477 N478 R479I471-R475 HydrophobicContact CG2-CG 4.41Å; I471-R475 WeakPolarHBondContact O-CB 3.4Å; I471-R475 WeakPolarHBondContact O-CG 3.46Å; I471-R475 PolarHBondContact O-N 3.04Å; R475-R477 VanDerWaalsContact C-N 3.32Å; R475-R477 PolarHBondContact O-N 3.44Å; R475-N478 PolarHBondContact O-N 2.81Å; R475-R479 PolarHBondContact O-N 3.12Å
476R81.3Confident82.6Confident191 Ų191109.4 Ų109.472%0.72148%0.48SS*.Hα-helixtrans-61.6-40.9174.7-78.1-177.2178.8-176.5-0.2111.8R472 I473 A474 R479 M480R472-R476 WeakPolarHBondContact O-CG 3.4Å; R472-R476 PolarHBondContact O-N 3.13Å; I473-R476 PolarHBondContact O-N 3.42Å; A474-R476 PolarHBondContact O-N 3.37Å; R476-R479 PolarHBondContact O-N 3.4Å; R476-M480 PolarHBondContact O-N 3.35Å
477R77.4Confident82Confident116 Ų116116.1 Ų116.144%0.43851%0.508SS..Hα-helixtrans-66.4-38.2177.6-167176.3-179.3-175.5-4112.3I473 A474 R475 M480 R481I473-R477 PolarHBondContact O-N 3.4Å; A474-R477 PolarHBondContact O-N 3.04Å; R475-R477 VanDerWaalsContact C-N 3.32Å; R475-R477 PolarHBondContact O-N 3.44Å; R477-M480 PolarHBondContact O-N 3.34Å; R477-R481 PolarHBondContact O-N 2.9Å
478N76.5Confident81.3Confident113 Ų113121.4 Ų121.460%0.60453%0.526SS*.Hα-helixtrans-69.4-29.9174.5-82.46.7000113.5A474 R475 M480 R481A474-N478 PolarHBondContact O-N 3.35Å; R475-N478 PolarHBondContact O-N 2.81Å; N478-M480 VanDerWaalsContact C-N 3.33Å; N478-R481 VanDerWaalsContact O-OXT 3.11Å
479R75.1Confident80.7Confident224 Ų224123.5 Ų123.585%0.84553%0.531SS*.Hα-helixtrans-73.7-20.2174.2-77.3-174.5179.2-177.1-1.3114.2R475 R476R475-R479 PolarHBondContact O-N 3.12Å; R476-R479 PolarHBondContact O-N 3.4Å
480M73Confident80Confident160 Ų160130.4 Ų130.479%0.78855%0.554SS**  trans-93.2-8.9178.4-69.8-172.7-65.100113.1R476 R477 N478R476-M480 PolarHBondContact O-N 3.35Å; R477-M480 PolarHBondContact O-N 3.34Å; N478-M480 VanDerWaalsContact C-N 3.33Å
481R59.7Low79.3Confident241 Ų241140.3 Ų140.391%0.90959%0.594SS**  trans-92.20166.1-80.2-177.3169.9179.5-6.2107.9R477 N478R477-R481 PolarHBondContact O-N 2.9Å; N478-R481 VanDerWaalsContact O-OXT 3.11Å

Retrieved 481 of 481 residues in 116.5 ms (Link to these results)

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