A0A024QZX5_HUMAN Loading...

Serpin B6

AlphaFold DB , UniProt , Accession A0A024QZX5, Species HUMAN (Homo sapiens, Human), Gene SERPINB6, Length 380 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
1M53.4Low79.4Confident123 Ų12346 Ų4661%0.60627%0.268SS*.  0142.30-154.2172.1-37.800107.4M5 K367M1-M5 HydrophobicContact CG-CB 3.95Å; M1-M5 HydrophobicContact CG-SD 4.06Å; M1-M5 HydrophobicContact SD-CB 4.26Å; M1-K367 WeakPolarHBondContact CE-O 3.18Å
2S64.9Low80.6Confident53 Ų5342.6 Ų42.637%0.37125%0.248SC..  trans-77.4141.3176.8540000109.9I4 M5S2-I4 PolarHBondContact O-N 3Å; S2-M5 WeakPolarHBondContact O-CB 3.27Å; S2-M5 PolarHBondContact O-N 2.56Å; S2-M5 WeakPolarHBondContact OG-CG 3.37Å
3A73.6Confident81.7Confident75 Ų7539.3 Ų39.362%0.6223%0.229SC*.Hα-helixtrans-50.7-30.6-179.400000114.3M5 D6 V7A3-M5 VanDerWaalsContact C-N 3.34Å; A3-M5 PolarHBondContact O-N 2.78Å; A3-D6 PolarHBondContact O-N 2.68Å; A3-V7 VanDerWaalsContact O-CG2 3.3Å; A3-V7 WeakPolarHBondContact O-CG2 3.4Å; A3-V7 PolarHBondContact O-N 2.75Å
4I77.1Confident82.7Confident34 Ų3437.8 Ų37.817%0.17422%0.221CC..Hα-helixtrans-68.2-29.2177.2-158.1166.2000113.6S2 L8S2-I4 PolarHBondContact O-N 3Å; I4-L8 WeakPolarHBondContact O-CB 3.3Å; I4-L8 WeakPolarHBondContact O-CG 3.41Å; I4-L8 PolarHBondContact O-N 3.45Å; I4-L8 VanDerWaalsContact O-N 3.08Å
5M78.3Confident83.5Confident32 Ų3235.4 Ų35.416%0.15821%0.206CC..Hα-helixtrans-75-38.3177.3-73177.1-172.300111.1M1 S2 A3 V7 L8 A9M1-M5 HydrophobicContact CG-CB 3.95Å; M1-M5 HydrophobicContact CG-SD 4.06Å; M1-M5 HydrophobicContact SD-CB 4.26Å; S2-M5 WeakPolarHBondContact O-CB 3.27Å; S2-M5 PolarHBondContact O-N 2.56Å; S2-M5 WeakPolarHBondContact OG-CG 3.37Å; A3-M5 VanDerWaalsContact C-N 3.34Å; A3-M5 PolarHBondContact O-N 2.78Å; M5-V7 VanDerWaalsContact C-N 3.34Å; M5-L8 PolarHBondContact O-N 2.72Å; M5-A9 WeakPolarHBondContact O-CB 3.23Å; M5-A9 PolarHBondContact O-N 3.08Å
6D80.4Confident84.3Confident73 Ų7333.2 Ų33.239%0.3919%0.194SC..Hα-helixtrans-64-43.8176.7-62.6-39.8000110.6A3 L8 A9 E10A3-D6 PolarHBondContact O-N 2.68Å; D6-L8 VanDerWaalsContact C-N 3.35Å; D6-L8 PolarHBondContact O-N 3.36Å; D6-A9 PolarHBondContact O-N 3.28Å; D6-E10 PolarHBondContact O-N 3.27Å
7V84.8Confident85Confident46 Ų4631.4 Ų31.428%0.27918%0.183SC..Hα-helixtrans-61-42.1174.9167.60000112A3 M5 E10 A11A3-V7 VanDerWaalsContact O-CG2 3.3Å; A3-V7 WeakPolarHBondContact O-CG2 3.4Å; A3-V7 PolarHBondContact O-N 2.75Å; M5-V7 VanDerWaalsContact C-N 3.34Å; V7-E10 PolarHBondContact O-N 3.41Å; V7-A11 WeakPolarHBondContact O-CB 2.96Å; V7-A11 PolarHBondContact O-N 3.06Å
8L87.5Confident85.5Confident2 Ų233.5 Ų33.51%0.0119%0.193CC..Hα-helixtrans-67.6-38.3175.3-87.7173.5000112.8I4 M5 D6 E10 A11 N12 I72 F76I4-L8 WeakPolarHBondContact O-CB 3.3Å; I4-L8 WeakPolarHBondContact O-CG 3.41Å; I4-L8 PolarHBondContact O-N 3.45Å; I4-L8 VanDerWaalsContact O-N 3.08Å; M5-L8 PolarHBondContact O-N 2.72Å; D6-L8 VanDerWaalsContact C-N 3.35Å; D6-L8 PolarHBondContact O-N 3.36Å; L8-E10 VanDerWaalsContact C-N 3.34Å; L8-A11 PolarHBondContact O-N 2.84Å; L8-N12 WeakPolarHBondContact O-CB 3.48Å; L8-N12 PolarHBondContact O-N 3.23Å; L8-I72 HydrophobicContact CD2-CD1 3.33Å; L8-I72 HydrophobicContact CD2-CG1 3.96Å; L8-I72 HydrophobicContact CG-CD1 3.98Å; L8-F76 HydrophobicContact CD2-CD1 4.45Å; L8-F76 HydrophobicContact CD2-CD2 4.05Å; L8-F76 HydrophobicContact CD2-CE1 4.09Å; L8-F76 HydrophobicContact CD2-CE2 3.64Å; L8-F76 HydrophobicContact CD2-CG 4.44Å; L8-F76 HydrophobicContact CD2-CZ 3.66Å
9A89.1Confident86Confident5 Ų531.7 Ų31.74%0.04118%0.183CC..Hα-helixtrans-62.9-42.2175.700000111M5 D6 G13 T368M5-A9 WeakPolarHBondContact O-CB 3.23Å; M5-A9 PolarHBondContact O-N 3.08Å; D6-A9 PolarHBondContact O-N 3.28Å; A9-G13 PolarHBondContact O-N 3.33Å; A9-T368 WeakPolarHBondContact CB-O 3.5Å
10E91.8Very high86.5Confident61 Ų6130.3 Ų30.329%0.28518%0.175SC..Hα-helixtrans-63.5-47.2173.4176.8176.5169.500112.5D6 V7 L8 G13 T14 K65 Y254D6-E10 PolarHBondContact O-N 3.27Å; V7-E10 PolarHBondContact O-N 3.41Å; L8-E10 VanDerWaalsContact C-N 3.34Å; E10-G13 PolarHBondContact O-N 2.84Å; E10-T14 VanDerWaalsContact O-CB 3.31Å; E10-T14 WeakPolarHBondContact O-CB 3.49Å; E10-T14 PolarHBondContact O-N 3.39Å; E10-T14 PolarHBondContact O-OG1 2.92Å; E10-K65 IonicContact OE1-NZ 2.83Å; E10-K65 PolarHBondContact OE1-NZ 2.97Å; E10-Y254 VanDerWaalsContact CA-CE1 3.46Å; E10-Y254 HydrophobicContact CB-CD1 3.95Å; E10-Y254 HydrophobicContact CB-CE1 3.46Å; E10-Y254 VanDerWaalsContact CB-CE1 3.46Å; E10-Y254 HydrophobicContact CG-CD1 3.57Å; E10-Y254 HydrophobicContact CG-CE1 3.63Å; E10-Y254 HydrophobicContact CG-CG 4.35Å; E10-Y254 PolarHBondContact N-OH 3.06Å
11A92.4Very high86.8Confident2 Ų231.9 Ų31.92%0.01718%0.18CC..Hα-helixtrans-61.3-49.2179.300000111.1V7 L8 G13 T14 F15 F63V7-A11 WeakPolarHBondContact O-CB 2.96Å; V7-A11 PolarHBondContact O-N 3.06Å; L8-A11 PolarHBondContact O-N 2.84Å; A11-G13 PolarHBondContact O-N 2.84Å; A11-T14 PolarHBondContact O-N 2.87Å; A11-F15 WeakPolarHBondContact O-CB 3.42Å; A11-F15 PolarHBondContact O-N 2.81Å; A11-F63 HydrophobicContact CB-CD1 4.17Å
12N93.8Very high88.6Confident5 Ų527.4 Ų27.43%0.02716%0.159CC..Hα-helixtrans-61.5-43.6176.2175.666.6000112L8 F15 A16 P35 M36 S39 I371L8-N12 WeakPolarHBondContact O-CB 3.48Å; L8-N12 PolarHBondContact O-N 3.23Å; N12-F15 PolarHBondContact O-N 2.93Å; N12-A16 WeakPolarHBondContact O-CB 2.91Å; N12-A16 PolarHBondContact O-N 3.25Å; N12-P35 PolarHBondContact OD1-O 3.41Å; N12-M36 WeakPolarHBondContact OD1-CA 3.31Å; N12-M36 PolarHBondContact OD1-N 2.81Å; N12-M36 VanDerWaalsContact OD1-N 3.08Å; N12-S39 PolarHBondContact OD1-OG 3.22Å; N12-I371 PolarHBondContact ND2-O 3.18Å
13G94.9Very high89.9Confident0 Ų026.2 Ų26.20%015%0.149CC..Hα-helixtrans-66.5-41.1178.900000112.6A9 E10 A11 A16 L17A9-G13 PolarHBondContact O-N 3.33Å; E10-G13 PolarHBondContact O-N 2.84Å; A11-G13 PolarHBondContact O-N 2.84Å; G13-A16 WeakPolarHBondContact O-CB 3.28Å; G13-A16 PolarHBondContact O-N 3.11Å; G13-L17 VanDerWaalsContact O-CG 3.31Å; G13-L17 WeakPolarHBondContact O-CG 3.27Å; G13-L17 PolarHBondContact O-N 3.43Å
14T95.6Very high90.6Very high18 Ų1822.7 Ų22.711%0.1112%0.12CC..Hα-helixtrans-62.5-46.9174.2-58.70000110.9E10 A11 A16 L17 N18 S62E10-T14 VanDerWaalsContact O-CB 3.31Å; E10-T14 WeakPolarHBondContact O-CB 3.49Å; E10-T14 PolarHBondContact O-N 3.39Å; E10-T14 PolarHBondContact O-OG1 2.92Å; A11-T14 PolarHBondContact O-N 2.87Å; T14-A16 VanDerWaalsContact C-N 3.34Å; T14-A16 PolarHBondContact O-N 3.31Å; T14-L17 PolarHBondContact O-N 2.66Å; T14-N18 WeakPolarHBondContact O-CB 3.48Å; T14-N18 PolarHBondContact O-N 2.97Å; T14-N18 VanDerWaalsContact O-N 3.11Å; T14-N18 PolarHBondContact O-ND2 2.61Å; T14-S62 WeakPolarHBondContact CG2-OG 3.32Å
15F95.4Very high91Very high2 Ų228.5 Ų28.51%0.00914%0.143CC..Hα-helixtrans-59.4-44.8175173.4-113.4000111.7A11 N12 L17 N18 L19 P35 M38 S39 L42 I60 L61A11-F15 WeakPolarHBondContact O-CB 3.42Å; A11-F15 PolarHBondContact O-N 2.81Å; N12-F15 PolarHBondContact O-N 2.93Å; F15-L17 PolarHBondContact O-N 3.04Å; F15-N18 PolarHBondContact O-N 2.72Å; F15-L19 HydrophobicContact CE1-CD2 4.14Å; F15-L19 HydrophobicContact CZ-CD2 3.93Å; F15-L19 VanDerWaalsContact O-CB 3.27Å; F15-L19 WeakPolarHBondContact O-CB 3.26Å; F15-L19 PolarHBondContact O-N 2.7Å; F15-P35 HydrophobicContact CD1-CB 4.36Å; F15-M38 HydrophobicContact CE1-CB 4.08Å; F15-M38 HydrophobicContact CZ-CE 4.29Å; F15-S39 WeakPolarHBondContact CD1-OG 3.43Å; F15-L42 HydrophobicContact CZ-CD1 4.08Å; F15-I60 HydrophobicContact CD2-CG2 4.34Å; F15-I60 WeakPolarHBondContact CD2-O 3.34Å; F15-I60 HydrophobicContact CE2-CG2 4.16Å; F15-L61 HydrophobicContact CD2-CD2 4.24Å; F15-L61 HydrophobicContact CE1-CD2 4.45Å; F15-L61 HydrophobicContact CE2-CD2 4.16Å; F15-L61 HydrophobicContact CG-CD2 4.42Å; F15-L61 HydrophobicContact CZ-CD2 4.26Å
16A96.1Very high91.3Very high0 Ų030 Ų300%015%0.152CC..Hα-helixtrans-56.3-49.517900000112.7N12 G13 T14 L19 L20 F33 P35 I371N12-A16 WeakPolarHBondContact O-CB 2.91Å; N12-A16 PolarHBondContact O-N 3.25Å; G13-A16 WeakPolarHBondContact O-CB 3.28Å; G13-A16 PolarHBondContact O-N 3.11Å; T14-A16 VanDerWaalsContact C-N 3.34Å; T14-A16 PolarHBondContact O-N 3.31Å; A16-L19 PolarHBondContact O-N 3.32Å; A16-L20 WeakPolarHBondContact O-CB 3.37Å; A16-L20 PolarHBondContact O-N 3.01Å; A16-F33 WeakPolarHBondContact O-CZ 3.37Å; A16-P35 HydrophobicContact CB-CB 3.36Å; A16-P35 HydrophobicContact CB-CG 3.5Å; A16-I371 HydrophobicContact CB-CD1 4.48Å
17L95.8Very high91.2Very high3 Ų328.3 Ų28.32%0.01614%0.143CC..Hα-helixtrans-72-36.4-176.4-63176.6000112G13 T14 F15 L19 L20 K21 L252 T253 F257 F362G13-L17 VanDerWaalsContact O-CG 3.31Å; G13-L17 WeakPolarHBondContact O-CG 3.27Å; G13-L17 PolarHBondContact O-N 3.43Å; T14-L17 PolarHBondContact O-N 2.66Å; F15-L17 PolarHBondContact O-N 3.04Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L20 PolarHBondContact O-N 3.09Å; L17-K21 VanDerWaalsContact O-CG 3.31Å; L17-K21 WeakPolarHBondContact O-CG 3.21Å; L17-K21 PolarHBondContact O-N 2.75Å; L17-K21 VanDerWaalsContact O-N 3.11Å; L17-L252 HydrophobicContact CD1-CG 4.12Å; L17-L252 HydrophobicContact CD2-CD2 3.49Å; L17-L252 VanDerWaalsContact CD2-CD2 3.49Å; L17-L252 HydrophobicContact CD2-CG 3.76Å; L17-T253 WeakPolarHBondContact CD1-O 3.48Å; L17-F257 HydrophobicContact CD1-CB 4.14Å; L17-F362 HydrophobicContact CD2-CE1 4Å; L17-F362 HydrophobicContact CD2-CZ 4.32Å
18N94.5Very high91.1Very high69 Ų6929.6 Ų29.637%0.36915%0.154SC..Hα-helixtrans-64.6-39.5172.4-73-22.1000111.8T14 F15 K21 T22T14-N18 WeakPolarHBondContact O-CB 3.48Å; T14-N18 PolarHBondContact O-N 2.97Å; T14-N18 VanDerWaalsContact O-N 3.11Å; T14-N18 PolarHBondContact O-ND2 2.61Å; F15-N18 PolarHBondContact O-N 2.72Å; N18-K21 PolarHBondContact O-N 2.82Å; N18-T22 PolarHBondContact O-N 2.75Å; N18-T22 VanDerWaalsContact O-N 3.1Å; N18-T22 PolarHBondContact O-OG1 3.13Å
19L94.7Very high91.2Very high0 Ų035.7 Ų35.70%018%0.18CC..Hα-helixtrans-69.4-40.7177.6-17657.8000111.7F15 A16 L17 K21 T22 L23 F33 M38 M286 V289 L293F15-L19 HydrophobicContact CE1-CD2 4.14Å; F15-L19 HydrophobicContact CZ-CD2 3.93Å; F15-L19 VanDerWaalsContact O-CB 3.27Å; F15-L19 WeakPolarHBondContact O-CB 3.26Å; F15-L19 PolarHBondContact O-N 2.7Å; A16-L19 PolarHBondContact O-N 3.32Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L19-K21 VanDerWaalsContact C-N 3.34Å; L19-K21 PolarHBondContact O-N 2.59Å; L19-T22 PolarHBondContact O-N 2.79Å; L19-L23 HydrophobicContact CD1-CD1 3.81Å; L19-L23 HydrophobicContact CD1-CD2 4.29Å; L19-L23 HydrophobicContact CD1-CG 3.74Å; L19-L23 HydrophobicContact CD2-CD1 4.32Å; L19-L23 HydrophobicContact CG-CD1 3.76Å; L19-L23 HydrophobicContact CG-CG 4.12Å; L19-L23 WeakPolarHBondContact O-CB 3.47Å; L19-L23 WeakPolarHBondContact O-CG 3.45Å; L19-L23 PolarHBondContact O-N 3.22Å; L19-F33 HydrophobicContact CB-CE2 3.94Å; L19-F33 HydrophobicContact CB-CZ 3.97Å; L19-F33 HydrophobicContact CD2-CD2 3.58Å; L19-F33 HydrophobicContact CD2-CE2 3.49Å; L19-F33 VanDerWaalsContact CD2-CE2 3.49Å; L19-F33 HydrophobicContact CD2-CG 4.32Å; L19-F33 HydrophobicContact CD2-CZ 4.15Å; L19-F33 HydrophobicContact CG-CD2 4.22Å; L19-F33 HydrophobicContact CG-CE1 4.46Å; L19-F33 HydrophobicContact CG-CE2 3.77Å; L19-F33 HydrophobicContact CG-CZ 3.91Å; L19-M38 HydrophobicContact CD2-CE 3.44Å; L19-M38 VanDerWaalsContact CD2-CE 3.44Å; L19-M38 HydrophobicContact CD2-SD 3.64Å; L19-M286 HydrophobicContact CD1-CE 3.83Å; L19-M286 HydrophobicContact CD2-CE 4.4Å; L19-V289 HydrophobicContact CD1-CG1 3.55Å; L19-L293 HydrophobicContact CD1-CD1 4.45Å
20L95.1Very high91.5Very high2 Ų236.7 Ų36.71%0.0119%0.185CC..Hα-helixtrans-56.2-47.7173.9-179.163.8000111A16 L17 T22 G24 V31 F33 L360 F362A16-L20 WeakPolarHBondContact O-CB 3.37Å; A16-L20 PolarHBondContact O-N 3.01Å; L17-L20 PolarHBondContact O-N 3.09Å; L20-T22 VanDerWaalsContact C-N 3.27Å; L20-T22 PolarHBondContact O-N 2.85Å; L20-G24 VanDerWaalsContact O-CA 3.29Å; L20-G24 WeakPolarHBondContact O-CA 3.41Å; L20-G24 PolarHBondContact O-N 3.1Å; L20-V31 HydrophobicContact CD1-CB 4.43Å; L20-V31 HydrophobicContact CD1-CG1 4.02Å; L20-F33 HydrophobicContact CB-CE1 4.16Å; L20-F33 HydrophobicContact CB-CZ 3.99Å; L20-F33 HydrophobicContact CD1-CE1 4.11Å; L20-L360 HydrophobicContact CD2-CD1 4.2Å; L20-L360 HydrophobicContact CD2-CD2 4.24Å; L20-F362 HydrophobicContact CD2-CE1 4.34Å; L20-F362 HydrophobicContact CD2-CZ 4.18Å
21K92.9Very high91.7Very high65 Ų6533.9 Ų33.928%0.28317%0.172SC..Hα-helixtrans-60.1-35.8175.2-69.4165.7-178.41750112.8L17 N18 L19 E249 K250 L252L17-K21 VanDerWaalsContact O-CG 3.31Å; L17-K21 WeakPolarHBondContact O-CG 3.21Å; L17-K21 PolarHBondContact O-N 2.75Å; L17-K21 VanDerWaalsContact O-N 3.11Å; N18-K21 PolarHBondContact O-N 2.82Å; L19-K21 VanDerWaalsContact C-N 3.34Å; L19-K21 PolarHBondContact O-N 2.59Å; K21-E249 WeakPolarHBondContact CE-O 3.19Å; K21-K250 PolarHBondContact NZ-O 3.24Å; K21-L252 WeakPolarHBondContact CE-O 3.21Å; K21-L252 PolarHBondContact NZ-O 3.13Å
22T92.6Very high91.9Very high28 Ų2833.8 Ų33.817%0.17217%0.172CC..Hα-helixtrans-78.6-43.9-175.7-570000112.1N18 L19 L20 G24 K25 V289 L293N18-T22 PolarHBondContact O-N 2.75Å; N18-T22 VanDerWaalsContact O-N 3.1Å; N18-T22 PolarHBondContact O-OG1 3.13Å; L19-T22 PolarHBondContact O-N 2.79Å; L20-T22 VanDerWaalsContact C-N 3.27Å; L20-T22 PolarHBondContact O-N 2.85Å; T22-G24 VanDerWaalsContact C-N 3.35Å; T22-K25 WeakPolarHBondContact O-CG 3.45Å; T22-V289 HydrophobicContact CG2-CG1 3.88Å; T22-L293 WeakPolarHBondContact OG1-CD2 3.21Å
23L92.4Very high92Very high29 Ų2933.6 Ų33.615%0.15217%0.17CC..Hα-helixtrans-73.3-30.7175.2-63.8178.2000111.5L19 K25 V31 F33 Y284 V289L19-L23 HydrophobicContact CD1-CD1 3.81Å; L19-L23 HydrophobicContact CD1-CD2 4.29Å; L19-L23 HydrophobicContact CD1-CG 3.74Å; L19-L23 HydrophobicContact CD2-CD1 4.32Å; L19-L23 HydrophobicContact CG-CD1 3.76Å; L19-L23 HydrophobicContact CG-CG 4.12Å; L19-L23 WeakPolarHBondContact O-CB 3.47Å; L19-L23 WeakPolarHBondContact O-CG 3.45Å; L19-L23 PolarHBondContact O-N 3.22Å; L23-K25 VanDerWaalsContact C-N 3.3Å; L23-K25 PolarHBondContact O-N 3.33Å; L23-V31 HydrophobicContact CB-CG1 3.97Å; L23-V31 HydrophobicContact CB-CG2 4.45Å; L23-V31 HydrophobicContact CD1-CG1 4.34Å; L23-F33 HydrophobicContact CD1-CD1 3.71Å; L23-F33 HydrophobicContact CD1-CE1 4.02Å; L23-F33 HydrophobicContact CD1-CG 4.17Å; L23-Y284 HydrophobicContact CB-CE1 4.48Å; L23-Y284 HydrophobicContact CD1-CD1 4.19Å; L23-Y284 HydrophobicContact CD1-CD2 4.44Å; L23-Y284 HydrophobicContact CD1-CE1 3.98Å; L23-Y284 HydrophobicContact CD1-CE2 4.2Å; L23-Y284 HydrophobicContact CD1-CG 4.42Å; L23-Y284 HydrophobicContact CD2-CD1 3.67Å; L23-Y284 HydrophobicContact CD2-CE1 3.91Å; L23-Y284 HydrophobicContact CD2-CG 4.32Å; L23-Y284 HydrophobicContact CG-CD1 4.49Å; L23-Y284 HydrophobicContact CG-CE1 4.35Å; L23-V289 HydrophobicContact CD2-CG1 4.05Å; L23-V289 HydrophobicContact CD2-CG2 3.76Å
24G86.8Confident92.1Very high1 Ų133.7 Ų33.71%0.0117%0.171CC..THydrogen-bonded Turntrans-80.67.3-177.800000116.1L20 T22 D26L20-G24 VanDerWaalsContact O-CA 3.29Å; L20-G24 WeakPolarHBondContact O-CA 3.41Å; L20-G24 PolarHBondContact O-N 3.1Å; T22-G24 VanDerWaalsContact C-N 3.35Å; G24-D26 PolarHBondContact O-N 2.79Å
25K85.8Confident92Very high155 Ų15532.8 Ų32.867%0.67417%0.166SC*.THydrogen-bonded Turntrans-54.3-30.2179.9-75.8-179.3-179.9179.20113.7T22 L23T22-K25 WeakPolarHBondContact O-CG 3.45Å; L23-K25 VanDerWaalsContact C-N 3.3Å; L23-K25 PolarHBondContact O-N 3.33Å
26D84.3Confident91.9Very high64 Ų6432.9 Ų32.934%0.34217%0.166SC..SBendtrans-100.197.1172.3-177-4000110.8G24 S28 K29 R376G24-D26 PolarHBondContact O-N 2.79Å; D26-S28 PolarHBondContact O-N 2.9Å; D26-S28 VanDerWaalsContact O-N 3.08Å; D26-S28 WeakPolarHBondContact OD1-CB 3.4Å; D26-S28 PolarHBondContact OD1-N 3.47Å; D26-S28 PolarHBondContact OD1-OG 2.92Å; D26-K29 HydrophobicContact CB-CD 4.44Å; D26-K29 PolarHBondContact O-N 3.11Å; D26-K29 WeakPolarHBondContact OD2-CD 3.27Å; D26-K29 WeakPolarHBondContact OD2-CE 3.45Å; D26-K29 IonicContact OD2-NZ 3.8Å; D26-R376 PolarHBondContact O-NH2 2.97Å
27N79.6Confident91.7Very high37 Ų3732.9 Ų32.920%0.19817%0.166CC..THydrogen-bonded Turntrans-61.5-13.1-179.6-72.137.3000115.5K29 D244 R246 R376 S378N27-K29 VanDerWaalsContact C-N 3.33Å; N27-D244 PolarHBondContact ND2-OD1 3.3Å; N27-R246 WeakPolarHBondContact ND2-CD 3.44Å; N27-R246 WeakPolarHBondContact ND2-CG 3.01Å; N27-R246 PolarHBondContact ND2-NE 2.89Å; N27-R246 WeakPolarHBondContact OD1-CD 3.27Å; N27-R246 VanDerWaalsContact OD1-CG 3.31Å; N27-R246 WeakPolarHBondContact OD1-CG 3.25Å; N27-R376 PolarHBondContact O-NH1 3.27Å; N27-S378 WeakPolarHBondContact O-CB 3.46Å; N27-S378 PolarHBondContact O-OG 3.06Å
28S82.1Confident91.6Very high73 Ų7333 Ų3351%0.5117%0.166SC..THydrogen-bonded Turntrans-82-17.6-179.268.90000112.8D26D26-S28 PolarHBondContact O-N 2.9Å; D26-S28 VanDerWaalsContact O-N 3.08Å; D26-S28 WeakPolarHBondContact OD1-CB 3.4Å; D26-S28 PolarHBondContact OD1-N 3.47Å; D26-S28 PolarHBondContact OD1-OG 2.92Å
29K90.5Very high91.6Very high130 Ų13029.7 Ų29.757%0.56515%0.149SC*.SBendtrans-100.6151.1-173.8-65.3-177.5179.7171.20112D26 N27 R376D26-K29 HydrophobicContact CB-CD 4.44Å; D26-K29 PolarHBondContact O-N 3.11Å; D26-K29 WeakPolarHBondContact OD2-CD 3.27Å; D26-K29 WeakPolarHBondContact OD2-CE 3.45Å; D26-K29 IonicContact OD2-NZ 3.8Å; N27-K29 VanDerWaalsContact C-N 3.33Å; K29-R376 PolarHBondContact O-NH1 3.22Å; K29-R376 PolarHBondContact O-NH2 2.88Å
30N95.4Very high91.4Very high26 Ų2629.7 Ų29.714%0.13915%0.149CC..  trans-68.6157.6167.5-61.9-36.6000110.2L280 R376 S378 S379N30-L280 HydrophobicContact CB-CD1 4.32Å; N30-L280 HydrophobicContact CB-CD2 3.71Å; N30-L280 WeakPolarHBondContact ND2-CD2 3.42Å; N30-R376 WeakPolarHBondContact CA-O 3.46Å; N30-S378 PolarHBondContact OD1-N 2.86Å; N30-S379 PolarHBondContact ND2-O 2.72Å; N30-S379 PolarHBondContact OD1-N 3.16Å; N30-S379 PolarHBondContact OD1-O 2.76Å
31V95.9Very high91.3Very high3 Ų329.7 Ų29.72%0.01815%0.149CC..EExtended strand (participates in β ladder)trans-133.2136.4169.9176.40000106.7L20 L23 F33 G375 R376L20-V31 HydrophobicContact CD1-CB 4.43Å; L20-V31 HydrophobicContact CD1-CG1 4.02Å; L23-V31 HydrophobicContact CB-CG1 3.97Å; L23-V31 HydrophobicContact CB-CG2 4.45Å; L23-V31 HydrophobicContact CD1-CG1 4.34Å; V31-F33 HydrophobicContact CG1-CD1 3.69Å; V31-F33 HydrophobicContact CG1-CE1 3.75Å; V31-G375 CarbonylContact O-C 3.56Å; V31-G375 WeakPolarHBondContact O-CA 3.22Å; V31-R376 HydrophobicContact CB-CB 4.16Å; V31-R376 PolarHBondContact N-O 3.03Å; V31-R376 PolarHBondContact O-N 3.21Å
32F95.7Very high91.5Very high0 Ų026.7 Ų26.70%014%0.136CC..EExtended strand (participates in β ladder)trans-154.6124.2173.9-176.6-114.4000110.3L280 E282 Y284 S323 V325 F361 F373 C374F32-L280 HydrophobicContact CB-CB 4.09Å; F32-L280 HydrophobicContact CB-CD1 4.05Å; F32-L280 HydrophobicContact CG-CB 4.37Å; F32-E282 HydrophobicContact CB-CB 4.34Å; F32-E282 HydrophobicContact CB-CG 3.88Å; F32-E282 WeakPolarHBondContact O-CB 3.3Å; F32-Y284 PolarHBondContact N-OH 3.37Å; F32-Y284 VanDerWaalsContact N-OH 3.16Å; F32-Y284 VanDerWaalsContact O-CE2 3.32Å; F32-Y284 WeakPolarHBondContact O-CE2 3.34Å; F32-S323 WeakPolarHBondContact CD1-OG 3.43Å; F32-S323 PolarHBondContact O-OG 3.14Å; F32-V325 HydrophobicContact CD1-CB 4.22Å; F32-V325 HydrophobicContact CD1-CG1 3.7Å; F32-V325 HydrophobicContact CD2-CG1 3.86Å; F32-V325 HydrophobicContact CE1-CB 3.51Å; F32-V325 HydrophobicContact CE1-CG1 3.5Å; F32-V325 VanDerWaalsContact CE1-CG1 3.5Å; F32-V325 HydrophobicContact CE2-CB 4.01Å; F32-V325 HydrophobicContact CE2-CG1 3.64Å; F32-V325 HydrophobicContact CG-CG1 3.89Å; F32-V325 HydrophobicContact CZ-CB 3.39Å; F32-V325 HydrophobicContact CZ-CG1 3.47Å; F32-V325 VanDerWaalsContact CZ-CG1 3.47Å; F32-V325 HydrophobicContact CZ-CG2 4.2Å; F32-F361 AromaticContact CD2-CE2 3.83Å; F32-F361 HydrophobicContact CD2-CE2 3.83Å; F32-F361 AromaticContact CD2-CZ 3.56Å; F32-F361 HydrophobicContact CD2-CZ 3.56Å; F32-F361 AromaticContact CE2-CE2 3.72Å; F32-F361 HydrophobicContact CE2-CE2 3.72Å; F32-F361 AromaticContact CE2-CZ 3.93Å; F32-F361 HydrophobicContact CE2-CZ 3.93Å; F32-F373 AromaticContact CE1-CD1 3.96Å; F32-F373 HydrophobicContact CE1-CD1 3.96Å; F32-F373 HydrophobicContact CE1-CE1 4.32Å; F32-F373 HydrophobicContact CE2-CB 3.73Å; F32-F373 AromaticContact CE2-CD1 3.87Å; F32-F373 HydrophobicContact CE2-CD1 3.87Å; F32-F373 HydrophobicContact CE2-CG 4.11Å; F32-F373 HydrophobicContact CZ-CB 3.98Å; F32-F373 AromaticContact CZ-CD1 3.24Å; F32-F373 HydrophobicContact CZ-CD1 3.24Å; F32-F373 AromaticContact CZ-CE1 3.91Å; F32-F373 HydrophobicContact CZ-CE1 3.91Å; F32-F373 AromaticContact CZ-CG 3.82Å; F32-F373 HydrophobicContact CZ-CG 3.82Å; F32-C374 WeakPolarHBondContact CA-O 3.42Å; F32-C374 WeakPolarHBondContact CD2-O 3.49Å
33F96.1Very high91.5Very high0 Ų025.3 Ų25.30%013%0.128CC..EExtended strand (participates in β ladder)trans-155.2162.417961.9-83.3000111.3A16 L19 L20 L23 V31 P35 M38 Y284 H321 F373 C374A16-F33 WeakPolarHBondContact O-CZ 3.37Å; L19-F33 HydrophobicContact CB-CE2 3.94Å; L19-F33 HydrophobicContact CB-CZ 3.97Å; L19-F33 HydrophobicContact CD2-CD2 3.58Å; L19-F33 HydrophobicContact CD2-CE2 3.49Å; L19-F33 VanDerWaalsContact CD2-CE2 3.49Å; L19-F33 HydrophobicContact CD2-CG 4.32Å; L19-F33 HydrophobicContact CD2-CZ 4.15Å; L19-F33 HydrophobicContact CG-CD2 4.22Å; L19-F33 HydrophobicContact CG-CE1 4.46Å; L19-F33 HydrophobicContact CG-CE2 3.77Å; L19-F33 HydrophobicContact CG-CZ 3.91Å; L20-F33 HydrophobicContact CB-CE1 4.16Å; L20-F33 HydrophobicContact CB-CZ 3.99Å; L20-F33 HydrophobicContact CD1-CE1 4.11Å; L23-F33 HydrophobicContact CD1-CD1 3.71Å; L23-F33 HydrophobicContact CD1-CE1 4.02Å; L23-F33 HydrophobicContact CD1-CG 4.17Å; V31-F33 HydrophobicContact CG1-CD1 3.69Å; V31-F33 HydrophobicContact CG1-CE1 3.75Å; F33-P35 HydrophobicContact CD2-CB 4.36Å; F33-P35 HydrophobicContact CE2-CB 4.01Å; F33-P35 HydrophobicContact CE2-CG 4.3Å; F33-P35 VanDerWaalsContact O-CD 3.32Å; F33-P35 WeakPolarHBondContact O-CD 3.33Å; F33-M38 HydrophobicContact CB-SD 4.3Å; F33-M38 HydrophobicContact CD2-SD 4.11Å; F33-Y284 HydrophobicContact CB-CE2 4.18Å; F33-H321 VanDerWaalsContact CA-NE2 3.35Å; F33-H321 WeakPolarHBondContact CA-NE2 3.19Å; F33-H321 VanDerWaalsContact CB-CD2 3.49Å; F33-H321 WeakPolarHBondContact CB-CD2 3.45Å; F33-H321 VanDerWaalsContact CB-NE2 3.31Å; F33-H321 WeakPolarHBondContact CB-NE2 3.29Å; F33-F373 WeakPolarHBondContact O-CA 3.29Å; F33-C374 HydrophobicContact CD1-CB 4.42Å; F33-C374 HydrophobicContact CE1-CB 3.83Å; F33-C374 HydrophobicContact CE2-CB 4.09Å; F33-C374 HydrophobicContact CZ-CB 3.63Å; F33-C374 PolarHBondContact N-O 3.16Å; F33-C374 PolarHBondContact O-N 2.92Å
34S95.9Very high91.5Very high2 Ų224 Ų241%0.01412%0.121CC..  trans-103.798.7172-179.40000110.7M36 S37 M38 H321 L372S34-M36 PolarHBondContact O-N 2.93Å; S34-S37 PolarHBondContact O-N 2.67Å; S34-S37 VanDerWaalsContact OG-CB 3.3Å; S34-S37 WeakPolarHBondContact OG-CB 3.44Å; S34-S37 PolarHBondContact OG-N 2.83Å; S34-S37 VanDerWaalsContact OG-N 3.16Å; S34-M38 WeakPolarHBondContact O-CB 3.32Å; S34-M38 VanDerWaalsContact O-CG 3.3Å; S34-M38 WeakPolarHBondContact O-CG 3.43Å; S34-M38 PolarHBondContact O-N 3.33Å; S34-H321 PolarHBondContact N-NE2 2.95Å; S34-L372 VanDerWaalsContact CA-O 3.27Å; S34-L372 WeakPolarHBondContact CA-O 3.32Å; S34-L372 VanDerWaalsContact CB-O 3.3Å; S34-L372 WeakPolarHBondContact CB-O 3.48Å; S34-L372 PolarHBondContact OG-O 3.33Å
35P95.1Very high91.9Very high0 Ų024 Ų240%012%0.121CC..Hα-helixtrans-60.6-35.5176.424.9-35000112N12 F15 A16 F33 M38 S39 I371N12-P35 PolarHBondContact OD1-O 3.41Å; F15-P35 HydrophobicContact CD1-CB 4.36Å; A16-P35 HydrophobicContact CB-CB 3.36Å; A16-P35 HydrophobicContact CB-CG 3.5Å; F33-P35 HydrophobicContact CD2-CB 4.36Å; F33-P35 HydrophobicContact CE2-CB 4.01Å; F33-P35 HydrophobicContact CE2-CG 4.3Å; F33-P35 VanDerWaalsContact O-CD 3.32Å; F33-P35 WeakPolarHBondContact O-CD 3.33Å; P35-M38 PolarHBondContact O-N 2.84Å; P35-S39 WeakPolarHBondContact O-CB 3.47Å; P35-S39 PolarHBondContact O-N 3.22Å; P35-S39 PolarHBondContact O-OG 2.88Å; P35-I371 HydrophobicContact CG-CB 4.45Å; P35-I371 HydrophobicContact CG-CG2 4.04Å
36M92.4Very high92.4Very high4 Ų419.4 Ų19.42%0.0210%0.1CC..Hα-helixtrans-62.7-49.9178.1173.755.2-166.800111.5N12 S34 S39 C40 L79 L80 L372N12-M36 WeakPolarHBondContact OD1-CA 3.31Å; N12-M36 PolarHBondContact OD1-N 2.81Å; N12-M36 VanDerWaalsContact OD1-N 3.08Å; S34-M36 PolarHBondContact O-N 2.93Å; M36-S39 PolarHBondContact O-N 2.9Å; M36-C40 WeakPolarHBondContact CE-SG 3.34Å; M36-C40 PolarHBondContact O-N 3.41Å; M36-C40 PolarHBondContact O-SG 2.83Å; M36-L79 HydrophobicContact CE-CB 4.3Å; M36-L79 HydrophobicContact CE-CD1 4.43Å; M36-L79 HydrophobicContact CE-CD2 3.25Å; M36-L79 HydrophobicContact CE-CG 3.37Å; M36-L79 HydrophobicContact SD-CD2 3.39Å; M36-L79 WeakPolarHBondContact SD-CD2 3.38Å; M36-L79 HydrophobicContact SD-CG 4.12Å; M36-L80 HydrophobicContact CE-CD2 4.12Å; M36-L372 HydrophobicContact CB-CD2 4.21Å; M36-L372 HydrophobicContact CG-CD2 3.98Å
37S92.5Very high92.8Very high0 Ų017.7 Ų17.70%09%0.09CC..Hα-helixtrans-63.3-44.3178.9-164.20000111.2S34 C40 A41 N96 N169S34-S37 PolarHBondContact O-N 2.67Å; S34-S37 VanDerWaalsContact OG-CB 3.3Å; S34-S37 WeakPolarHBondContact OG-CB 3.44Å; S34-S37 PolarHBondContact OG-N 2.83Å; S34-S37 VanDerWaalsContact OG-N 3.16Å; S37-C40 WeakPolarHBondContact O-CB 3.5Å; S37-C40 PolarHBondContact O-N 2.78Å; S37-A41 WeakPolarHBondContact O-CB 3.4Å; S37-A41 PolarHBondContact O-N 2.92Å; S37-N96 PolarHBondContact OG-OD1 2.64Å; S37-N169 VanDerWaalsContact C-ND2 3.27Å; S37-N169 PolarHBondContact O-ND2 3.39Å; S37-N169 VanDerWaalsContact O-ND2 3.07Å; S37-N169 PolarHBondContact OG-ND2 3.2Å
38M93.9Very high93.5Very high4 Ų416 Ų162%0.028%0.081CC..Hα-helixtrans-64.1-41.8177.1-70.7177.666.800112.7F15 L19 F33 S34 P35 C40 A41 L42 N169 M286 H321F15-M38 HydrophobicContact CE1-CB 4.08Å; F15-M38 HydrophobicContact CZ-CE 4.29Å; L19-M38 HydrophobicContact CD2-CE 3.44Å; L19-M38 VanDerWaalsContact CD2-CE 3.44Å; L19-M38 HydrophobicContact CD2-SD 3.64Å; F33-M38 HydrophobicContact CB-SD 4.3Å; F33-M38 HydrophobicContact CD2-SD 4.11Å; S34-M38 WeakPolarHBondContact O-CB 3.32Å; S34-M38 VanDerWaalsContact O-CG 3.3Å; S34-M38 WeakPolarHBondContact O-CG 3.43Å; S34-M38 PolarHBondContact O-N 3.33Å; P35-M38 PolarHBondContact O-N 2.84Å; M38-C40 VanDerWaalsContact C-N 3.34Å; M38-C40 PolarHBondContact O-N 3.42Å; M38-A41 PolarHBondContact O-N 3.32Å; M38-L42 WeakPolarHBondContact O-CB 3.29Å; M38-L42 WeakPolarHBondContact O-CG 2.84Å; M38-L42 PolarHBondContact O-N 3.16Å; M38-N169 VanDerWaalsContact CG-OD1 3.23Å; M38-N169 WeakPolarHBondContact CG-OD1 3.43Å; M38-N169 PolarHBondContact N-OD1 3.46Å; M38-M286 HydrophobicContact CE-CE 3.29Å; M38-M286 HydrophobicContact CE-CG 3.96Å; M38-M286 HydrophobicContact CE-SD 3.58Å; M38-M286 VanDerWaalsContact CE-SD 3.58Å; M38-H321 HydrophobicContact CE-CB 4.35Å; M38-H321 HydrophobicContact CG-CB 4.23Å; M38-H321 HydrophobicContact SD-CB 4.06Å; M38-H321 PolarHBondContact SD-CD2 3.03Å; M38-H321 VanDerWaalsContact SD-CG 3.58Å
39S93.5Very high94.1Very high0 Ų012.6 Ų12.60%06%0.057CC..Hα-helixtrans-61.5-43.4176.4-63.60000110.6N12 F15 P35 M36 A43N12-S39 PolarHBondContact OD1-OG 3.22Å; F15-S39 WeakPolarHBondContact CD1-OG 3.43Å; P35-S39 WeakPolarHBondContact O-CB 3.47Å; P35-S39 PolarHBondContact O-N 3.22Å; P35-S39 PolarHBondContact O-OG 2.88Å; M36-S39 PolarHBondContact O-N 2.9Å; S39-A43 WeakPolarHBondContact O-CB 3.46Å; S39-A43 PolarHBondContact O-N 2.82Å
40C91.4Very high94.4Very high1 Ų111 Ų111%0.0075%0.05CC..Hα-helixtrans-60.4-47.1173.7-66.40000111.7M36 S37 M38 A43 M44 F76 Y118M36-C40 WeakPolarHBondContact CE-SG 3.34Å; M36-C40 PolarHBondContact O-N 3.41Å; M36-C40 PolarHBondContact O-SG 2.83Å; S37-C40 WeakPolarHBondContact O-CB 3.5Å; S37-C40 PolarHBondContact O-N 2.78Å; M38-C40 VanDerWaalsContact C-N 3.34Å; M38-C40 PolarHBondContact O-N 3.42Å; C40-A43 PolarHBondContact O-N 2.8Å; C40-M44 PolarHBondContact O-N 2.85Å; C40-F76 HydrophobicContact CB-CD1 4.45Å; C40-F76 WeakPolarHBondContact SG-CD1 3.24Å; C40-Y118 HydrophobicContact CB-CD1 4.27Å; C40-Y118 HydrophobicContact CB-CE1 4.46Å; C40-Y118 WeakPolarHBondContact O-CE1 3.32Å
41A93.4Very high94.4Very high1 Ų112.4 Ų12.41%0.0087%0.071CC..Hα-helixtrans-61.6-45.4-17900000112.3S37 M38 M44 V45 L167 N169S37-A41 WeakPolarHBondContact O-CB 3.4Å; S37-A41 PolarHBondContact O-N 2.92Å; M38-A41 PolarHBondContact O-N 3.32Å; A41-M44 HydrophobicContact CB-CE 4.45Å; A41-M44 WeakPolarHBondContact O-CB 3.45Å; A41-M44 PolarHBondContact O-N 2.7Å; A41-V45 PolarHBondContact O-N 3.28Å; A41-L167 HydrophobicContact CB-CD1 3.97Å; A41-L167 HydrophobicContact CB-CD2 3.93Å; A41-L167 HydrophobicContact CB-CG 4.21Å; A41-N169 HydrophobicContact CB-CB 4.02Å
42L95.2Very high94.4Very high2 Ų216.7 Ų16.71%0.019%0.094CC..Hα-helixtrans-73.5-29.1176.8-69.2168.6000112.2F15 M38 M44 V45 Y46 M57 L61 L167 L290 V319F15-L42 HydrophobicContact CZ-CD1 4.08Å; M38-L42 WeakPolarHBondContact O-CB 3.29Å; M38-L42 WeakPolarHBondContact O-CG 2.84Å; M38-L42 PolarHBondContact O-N 3.16Å; L42-M44 VanDerWaalsContact C-N 3.31Å; L42-M44 PolarHBondContact O-N 3.39Å; L42-V45 WeakPolarHBondContact O-CB 3.27Å; L42-V45 PolarHBondContact O-N 3.46Å; L42-Y46 WeakPolarHBondContact O-CB 3.47Å; L42-Y46 PolarHBondContact O-N 2.73Å; L42-M57 VanDerWaalsContact O-CE 3.3Å; L42-M57 WeakPolarHBondContact O-CE 3.39Å; L42-L61 HydrophobicContact CB-CD1 3.86Å; L42-L61 HydrophobicContact CB-CD2 3.89Å; L42-L61 HydrophobicContact CB-CG 4.46Å; L42-L61 HydrophobicContact CD1-CD2 3.84Å; L42-L167 HydrophobicContact CD2-CD2 3.85Å; L42-L167 HydrophobicContact CG-CD2 4.27Å; L42-L290 HydrophobicContact CD1-CD1 4.3Å; L42-L290 HydrophobicContact CD1-CD2 3.97Å; L42-L290 HydrophobicContact CD2-CD1 3.93Å; L42-V319 HydrophobicContact CD2-CG1 4.49Å
43A93.6Very high94.5Very high0 Ų016.7 Ų16.70%09%0.094CC..Hα-helixtrans-69.7-27.8174.300000112.5S39 C40 Y46 M47 F63 H73 F76 Y118S39-A43 WeakPolarHBondContact O-CB 3.46Å; S39-A43 PolarHBondContact O-N 2.82Å; C40-A43 PolarHBondContact O-N 2.8Å; A43-Y46 PolarHBondContact O-N 3.45Å; A43-M47 PolarHBondContact O-N 3.37Å; A43-M47 VanDerWaalsContact O-N 3.15Å; A43-F63 HydrophobicContact CB-CE2 3.94Å; A43-F63 HydrophobicContact CB-CZ 3.85Å; A43-H73 PolarHBondContact O-CE1 2.98Å; A43-F76 HydrophobicContact CB-CD2 3.81Å; A43-F76 HydrophobicContact CB-CE2 3.43Å; A43-F76 VanDerWaalsContact CB-CE2 3.43Å; A43-F76 HydrophobicContact CB-CZ 4.01Å; A43-Y118 HydrophobicContact CB-CE1 4Å; A43-Y118 WeakPolarHBondContact CB-OH 3.2Å; A43-Y118 PolarHBondContact O-OH 2.88Å; A43-Y118 VanDerWaalsContact O-OH 3.07Å
44M92.9Very high94.5Very high2 Ų217.5 Ų17.51%0.0110%0.1CC..Hα-helixtrans-62.4-45.4167.3-71.5-169.1-72.900111.3C40 A41 L42 M47 N96 L98 Y118 A120 L167C40-M44 PolarHBondContact O-N 2.85Å; A41-M44 HydrophobicContact CB-CE 4.45Å; A41-M44 WeakPolarHBondContact O-CB 3.45Å; A41-M44 PolarHBondContact O-N 2.7Å; L42-M44 VanDerWaalsContact C-N 3.31Å; L42-M44 PolarHBondContact O-N 3.39Å; M44-M47 WeakPolarHBondContact O-CB 3.01Å; M44-M47 PolarHBondContact O-N 3.46Å; M44-N96 HydrophobicContact CE-CB 3.82Å; M44-L98 HydrophobicContact CB-CD1 4.32Å; M44-Y118 HydrophobicContact CB-CD2 4.43Å; M44-Y118 HydrophobicContact CB-CE2 4.41Å; M44-Y118 HydrophobicContact CG-CD1 3.88Å; M44-Y118 HydrophobicContact CG-CD2 3.34Å; M44-Y118 HydrophobicContact CG-CE1 4.22Å; M44-Y118 HydrophobicContact CG-CE2 3.69Å; M44-Y118 HydrophobicContact CG-CG 3.39Å; M44-Y118 HydrophobicContact SD-CD2 4.27Å; M44-Y118 HydrophobicContact SD-CG 4.03Å; M44-A120 HydrophobicContact CE-CB 4.09Å; M44-A120 HydrophobicContact SD-CB 3.43Å; M44-A120 WeakPolarHBondContact SD-CB 3.46Å; M44-L167 HydrophobicContact CE-CD1 4.36Å
45V95.1Very high94.5Very high0 Ų019.7 Ų19.70%012%0.119CC..Hα-helixtrans-64.8-43.7176.5174.50000110.5A41 L42 M47 G48 A49 M57 L98 L167 F306 M309 L316A41-V45 PolarHBondContact O-N 3.28Å; L42-V45 WeakPolarHBondContact O-CB 3.27Å; L42-V45 PolarHBondContact O-N 3.46Å; V45-M47 PolarHBondContact O-N 3.02Å; V45-G48 PolarHBondContact O-N 2.77Å; V45-G48 VanDerWaalsContact O-N 3.08Å; V45-A49 PolarHBondContact O-N 3.07Å; V45-M57 HydrophobicContact CB-CE 3.78Å; V45-M57 HydrophobicContact CG1-CE 3.56Å; V45-M57 HydrophobicContact CG1-SD 3.98Å; V45-L98 HydrophobicContact CG2-CD1 4.47Å; V45-L98 HydrophobicContact CG2-CD2 3.79Å; V45-L167 HydrophobicContact CG2-CD1 4.4Å; V45-L167 HydrophobicContact CG2-CD2 3.91Å; V45-F306 HydrophobicContact CG1-CD1 4.44Å; V45-F306 HydrophobicContact CG1-CE1 3.52Å; V45-F306 HydrophobicContact CG1-CZ 3.82Å; V45-M309 VanDerWaalsContact CA-CE 3.47Å; V45-M309 HydrophobicContact CB-CE 4.15Å; V45-M309 HydrophobicContact CG1-CE 3.85Å; V45-M309 WeakPolarHBondContact O-CE 3.45Å; V45-L316 HydrophobicContact CG1-CD1 3.95Å; V45-L316 HydrophobicContact CG1-CD2 4.23Å; V45-L316 HydrophobicContact CG1-CG 4.23Å; V45-L316 HydrophobicContact CG2-CD2 4.11Å
46Y95.4Very high94.5Very high59 Ų5921 Ų2123%0.23113%0.125CC..Hα-helixtrans-57.1-36179.3173.2-112.8000112.8L42 A43 G48 A49 A54 M57 A58 F63 I72 H73L42-Y46 WeakPolarHBondContact O-CB 3.47Å; L42-Y46 PolarHBondContact O-N 2.73Å; A43-Y46 PolarHBondContact O-N 3.45Å; Y46-G48 PolarHBondContact O-N 3.4Å; Y46-A49 WeakPolarHBondContact O-CB 3.22Å; Y46-A49 PolarHBondContact O-N 2.85Å; Y46-A54 HydrophobicContact CD2-CB 4.4Å; Y46-A54 HydrophobicContact CE2-CB 3.93Å; Y46-A54 VanDerWaalsContact CE2-O 3.3Å; Y46-A54 WeakPolarHBondContact CE2-O 3.44Å; Y46-M57 HydrophobicContact CD2-CB 3.84Å; Y46-A58 HydrophobicContact CE2-CB 3.76Å; Y46-F63 AromaticContact CD1-CD2 3.95Å; Y46-F63 HydrophobicContact CD1-CD2 3.95Å; Y46-F63 HydrophobicContact CD1-CE2 4.05Å; Y46-F63 HydrophobicContact CE1-CD2 4.04Å; Y46-F63 HydrophobicContact CG-CD2 4.43Å; Y46-F63 HydrophobicContact CG-CE2 4.43Å; Y46-I72 HydrophobicContact CE1-CG2 4.27Å; Y46-H73 AromaticContact CD1-CE1 3.96Å
47M92.7Very high94.7Very high28 Ų2820.8 Ų20.814%0.13812%0.124CC..Hα-helixtrans-56.4-37.8177.8-168.8-163.7-53.100112.8A43 M44 V45 F110 S113 F117 Y118A43-M47 PolarHBondContact O-N 3.37Å; A43-M47 VanDerWaalsContact O-N 3.15Å; M44-M47 WeakPolarHBondContact O-CB 3.01Å; M44-M47 PolarHBondContact O-N 3.46Å; V45-M47 PolarHBondContact O-N 3.02Å; M47-F110 HydrophobicContact CB-CE2 4.39Å; M47-F110 HydrophobicContact SD-CD2 4.44Å; M47-S113 WeakPolarHBondContact SD-CB 3.31Å; M47-F117 HydrophobicContact CE-CD2 3.82Å; M47-F117 HydrophobicContact SD-CD2 4.47Å; M47-Y118 HydrophobicContact CE-CD2 3.97Å; M47-Y118 HydrophobicContact CE-CE2 3.4Å
48G94.1Very high94.8Very high0 Ų020.8 Ų20.80%012%0.124CC..Hα-helixtrans-87.6-10.3178.700000114.3V45 Y46 F306 G308V45-G48 PolarHBondContact O-N 2.77Å; V45-G48 VanDerWaalsContact O-N 3.08Å; Y46-G48 PolarHBondContact O-N 3.4Å; G48-F306 CarbonylContact O-C 3.46Å; G48-F306 WeakPolarHBondContact O-CA 3.34Å; G48-G308 VanDerWaalsContact O-CA 3.25Å; G48-G308 WeakPolarHBondContact O-CA 3.41Å; G48-G308 PolarHBondContact O-N 3.29Å
49A95.9Very high94.7Very high3 Ų327 Ų273%0.02515%0.153CC..  trans-78.1148.1179.300000111.8V45 Y46 T53 A54 M57 D305 F306V45-A49 PolarHBondContact O-N 3.07Å; Y46-A49 WeakPolarHBondContact O-CB 3.22Å; Y46-A49 PolarHBondContact O-N 2.85Å; A49-T53 HydrophobicContact CB-CG2 4Å; A49-A54 HydrophobicContact CB-CB 3.95Å; A49-M57 HydrophobicContact CB-SD 3.98Å; A49-D305 CarbonylContact C-O 3.5Å; A49-D305 VanDerWaalsContact CA-O 3.29Å; A49-D305 WeakPolarHBondContact CA-O 3.42Å; A49-F306 HydrophobicContact CB-CD1 4.03Å; A49-F306 HydrophobicContact CB-CE1 3.91Å
50K95.7Very high94.7Very high96 Ų9627.8 Ų27.842%0.41716%0.157SC..  trans-134.3178.5171.6-55-65.6165.2-140.80110.5T53 A54 D305 S307K50-T53 WeakPolarHBondContact O-CB 3.49Å; K50-T53 PolarHBondContact O-N 3.25Å; K50-A54 PolarHBondContact O-N 3.03Å; K50-D305 HydrophobicContact CB-CB 4.48Å; K50-D305 WeakPolarHBondContact CB-OD2 3.31Å; K50-D305 PolarHBondContact N-O 3.31Å; K50-S307 WeakPolarHBondContact CG-OG 3.33Å
51G95.6Very high94.7Very high55 Ų5527.8 Ų27.857%0.56716%0.157SC*.Hα-helixtrans51.6-138.2175.500000114.4T53 A54 A55G51-T53 VanDerWaalsContact C-N 3.31Å; G51-T53 PolarHBondContact O-N 2.98Å; G51-A54 PolarHBondContact O-N 2.81Å; G51-A55 PolarHBondContact O-N 2.98Å
52N96.8Very high94.6Very high93 Ų9328.3 Ų28.350%0.49716%0.16SC..Hα-helixtrans-68.1-30-179-165.252.2000112.9A55 Q56 D297N52-A55 PolarHBondContact O-N 2.89Å; N52-Q56 PolarHBondContact ND2-NE2 3.25Å; N52-Q56 VanDerWaalsContact ND2-NE2 3.16Å; N52-Q56 WeakPolarHBondContact O-CG 3.17Å; N52-Q56 PolarHBondContact O-N 3Å; N52-D297 PolarHBondContact ND2-OD2 3.46Å
53T97.3Very high94.2Very high1 Ų128.6 Ų28.61%0.00616%0.161CC..Hα-helixtrans-59.8-49.2175.4-61.90000110.2A49 K50 G51 A55 Q56 M57 A298 K303 A304 D305 F306A49-T53 HydrophobicContact CB-CG2 4Å; K50-T53 WeakPolarHBondContact O-CB 3.49Å; K50-T53 PolarHBondContact O-N 3.25Å; G51-T53 VanDerWaalsContact C-N 3.31Å; G51-T53 PolarHBondContact O-N 2.98Å; T53-A55 VanDerWaalsContact C-N 3.35Å; T53-A55 PolarHBondContact O-N 2.98Å; T53-Q56 PolarHBondContact O-N 2.86Å; T53-M57 HydrophobicContact CG2-SD 4.41Å; T53-M57 VanDerWaalsContact O-CG 3.29Å; T53-M57 WeakPolarHBondContact O-CG 3.24Å; T53-M57 PolarHBondContact O-N 3.24Å; T53-M57 VanDerWaalsContact O-N 3.12Å; T53-A298 HydrophobicContact CG2-CB 4Å; T53-K303 PolarHBondContact OG1-O 2.95Å; T53-A304 WeakPolarHBondContact OG1-CA 3.12Å; T53-D305 PolarHBondContact OG1-N 3.3Å; T53-F306 HydrophobicContact CG2-CD1 4.48Å; T53-F306 HydrophobicContact CG2-CE1 3.81Å; T53-F306 HydrophobicContact CG2-CZ 3.87Å
54A96.1Very high93.3Very high16 Ų1633.5 Ų33.513%0.13219%0.188CC..Hα-helixtrans-61.3-42.2175.500000112.2Y46 A49 K50 G51 M57 A58Y46-A54 HydrophobicContact CD2-CB 4.4Å; Y46-A54 HydrophobicContact CE2-CB 3.93Å; Y46-A54 VanDerWaalsContact CE2-O 3.3Å; Y46-A54 WeakPolarHBondContact CE2-O 3.44Å; A49-A54 HydrophobicContact CB-CB 3.95Å; K50-A54 PolarHBondContact O-N 3.03Å; G51-A54 PolarHBondContact O-N 2.81Å; A54-M57 PolarHBondContact O-N 3.46Å; A54-A58 WeakPolarHBondContact O-CB 3.39Å; A54-A58 PolarHBondContact O-N 2.91Å
55A95.4Very high91.9Very high49 Ų4938.8 Ų38.841%0.40521%0.211SC..Hα-helixtrans-61.7-46.4-179.900000112.6G51 N52 T53 A58 Q59G51-A55 PolarHBondContact O-N 2.98Å; N52-A55 PolarHBondContact O-N 2.89Å; T53-A55 VanDerWaalsContact C-N 3.35Å; T53-A55 PolarHBondContact O-N 2.98Å; A55-A58 PolarHBondContact O-N 3.05Å; A55-Q59 WeakPolarHBondContact O-CB 3.44Å; A55-Q59 PolarHBondContact O-N 3.14Å
56Q96.8Very high90.2Very high26 Ų2640 Ų4012%0.12122%0.219CC..Hα-helixtrans-60.6-45.1176-72.7175.6-3.400111.5N52 T53 Q59 I60 T296 D297N52-Q56 PolarHBondContact ND2-NE2 3.25Å; N52-Q56 VanDerWaalsContact ND2-NE2 3.16Å; N52-Q56 WeakPolarHBondContact O-CG 3.17Å; N52-Q56 PolarHBondContact O-N 3Å; T53-Q56 PolarHBondContact O-N 2.86Å; Q56-Q59 PolarHBondContact O-N 2.94Å; Q56-I60 WeakPolarHBondContact O-CD1 3.38Å; Q56-I60 WeakPolarHBondContact O-CG1 3.49Å; Q56-I60 PolarHBondContact O-N 2.98Å; Q56-I60 VanDerWaalsContact O-N 3.14Å; Q56-T296 PolarHBondContact NE2-OG1 3.35Å; Q56-T296 VanDerWaalsContact OE1-N 3.09Å; Q56-D297 VanDerWaalsContact NE2-CG 3.34Å; Q56-D297 PolarHBondContact NE2-OD1 3.02Å; Q56-D297 PolarHBondContact OE1-OD1 3.28Å
57M95.8Very high87.7Confident0 Ų040.4 Ų40.40%024%0.242CC..Hα-helixtrans-62.4-47178.5-70-172.88000112.5L42 V45 Y46 A49 T53 A54 Q59 I60 L61 M295 F306L42-M57 VanDerWaalsContact O-CE 3.3Å; L42-M57 WeakPolarHBondContact O-CE 3.39Å; V45-M57 HydrophobicContact CB-CE 3.78Å; V45-M57 HydrophobicContact CG1-CE 3.56Å; V45-M57 HydrophobicContact CG1-SD 3.98Å; Y46-M57 HydrophobicContact CD2-CB 3.84Å; A49-M57 HydrophobicContact CB-SD 3.98Å; T53-M57 HydrophobicContact CG2-SD 4.41Å; T53-M57 VanDerWaalsContact O-CG 3.29Å; T53-M57 WeakPolarHBondContact O-CG 3.24Å; T53-M57 PolarHBondContact O-N 3.24Å; T53-M57 VanDerWaalsContact O-N 3.12Å; A54-M57 PolarHBondContact O-N 3.46Å; M57-Q59 VanDerWaalsContact C-N 3.28Å; M57-Q59 PolarHBondContact O-N 2.93Å; M57-I60 PolarHBondContact O-N 3.44Å; M57-L61 WeakPolarHBondContact O-CB 3.45Å; M57-L61 WeakPolarHBondContact O-CG 3.45Å; M57-L61 PolarHBondContact O-N 3.27Å; M57-M295 HydrophobicContact CB-CE 4.26Å; M57-M295 HydrophobicContact CE-CE 4.3Å; M57-M295 HydrophobicContact CE-SD 4.29Å; M57-M295 HydrophobicContact CG-CE 3.8Å; M57-M295 HydrophobicContact CG-CG 4.12Å; M57-M295 HydrophobicContact CG-SD 3.9Å; M57-F306 HydrophobicContact SD-CE1 4.38Å
58A93.6Very high85.5Confident1 Ų143.1 Ų43.11%0.00828%0.277CS..Hα-helixtrans-64.6-32.9179.800000112.5Y46 A54 A55 S62 F63 N64Y46-A58 HydrophobicContact CE2-CB 3.76Å; A54-A58 WeakPolarHBondContact O-CB 3.39Å; A54-A58 PolarHBondContact O-N 2.91Å; A55-A58 PolarHBondContact O-N 3.05Å; A58-S62 CarbonylContact O-C 3.55Å; A58-S62 PolarHBondContact O-N 2.97Å; A58-F63 HydrophobicContact CB-CB 4.23Å; A58-F63 PolarHBondContact O-N 3.41Å; A58-N64 WeakPolarHBondContact CB-OD1 3.44Å; A58-N64 PolarHBondContact O-N 2.7Å
59Q93.4Very high82.9Confident135 Ų13545.4 Ų45.463%0.63130%0.3SS*.Hα-helixtrans-65.8-47.1174.2-178.8174.8-10.900111.8A55 Q56 M57 S62 N64A55-Q59 WeakPolarHBondContact O-CB 3.44Å; A55-Q59 PolarHBondContact O-N 3.14Å; Q56-Q59 PolarHBondContact O-N 2.94Å; M57-Q59 VanDerWaalsContact C-N 3.28Å; M57-Q59 PolarHBondContact O-N 2.93Å; Q59-S62 PolarHBondContact O-N 2.78Å; Q59-S62 VanDerWaalsContact O-N 3.15Å; Q59-N64 WeakPolarHBondContact CA-ND2 3.38Å; Q59-N64 PolarHBondContact N-ND2 3.09Å
60I93.1Very high81Confident16 Ų1647.7 Ų47.78%0.08232%0.324CS..Hα-helixtrans-72.5-39.9-174.6-71.1161.5000111.8F15 Q56 M57 S62 L293 M295F15-I60 HydrophobicContact CD2-CG2 4.34Å; F15-I60 WeakPolarHBondContact CD2-O 3.34Å; F15-I60 HydrophobicContact CE2-CG2 4.16Å; Q56-I60 WeakPolarHBondContact O-CD1 3.38Å; Q56-I60 WeakPolarHBondContact O-CG1 3.49Å; Q56-I60 PolarHBondContact O-N 2.98Å; Q56-I60 VanDerWaalsContact O-N 3.14Å; M57-I60 PolarHBondContact O-N 3.44Å; I60-S62 PolarHBondContact O-N 3.41Å; I60-L293 HydrophobicContact CD1-CB 4.19Å; I60-L293 WeakPolarHBondContact CD1-O 3.25Å; I60-L293 HydrophobicContact CG1-CB 4.26Å; I60-L293 WeakPolarHBondContact CG1-O 3.26Å; I60-L293 HydrophobicContact CG2-CB 4.12Å; I60-L293 HydrophobicContact CG2-CD1 4.29Å; I60-M295 HydrophobicContact CB-CE 4.43Å; I60-M295 HydrophobicContact CD1-CB 3.45Å; I60-M295 VanDerWaalsContact CD1-CB 3.45Å; I60-M295 HydrophobicContact CD1-CE 4.35Å; I60-M295 HydrophobicContact CG2-CE 4.34Å
61L92Very high80.3Confident0 Ų046 Ų460%032%0.319CS..THydrogen-bonded Turntrans-75.60174.1-61.6171000112.5F15 L42 M57 F63F15-L61 HydrophobicContact CD2-CD2 4.24Å; F15-L61 HydrophobicContact CE1-CD2 4.45Å; F15-L61 HydrophobicContact CE2-CD2 4.16Å; F15-L61 HydrophobicContact CG-CD2 4.42Å; F15-L61 HydrophobicContact CZ-CD2 4.26Å; L42-L61 HydrophobicContact CB-CD1 3.86Å; L42-L61 HydrophobicContact CB-CD2 3.89Å; L42-L61 HydrophobicContact CB-CG 4.46Å; L42-L61 HydrophobicContact CD1-CD2 3.84Å; M57-L61 WeakPolarHBondContact O-CB 3.45Å; M57-L61 WeakPolarHBondContact O-CG 3.45Å; M57-L61 PolarHBondContact O-N 3.27Å; L61-F63 HydrophobicContact CB-CD1 3.87Å; L61-F63 HydrophobicContact CB-CD2 3.9Å; L61-F63 HydrophobicContact CB-CE1 3.66Å; L61-F63 HydrophobicContact CB-CE2 3.7Å; L61-F63 HydrophobicContact CB-CG 3.98Å; L61-F63 HydrophobicContact CB-CZ 3.55Å; L61-F63 HydrophobicContact CD1-CD2 4.09Å; L61-F63 HydrophobicContact CD1-CE2 3.36Å; L61-F63 HydrophobicContact CD1-CZ 3.64Å; L61-F63 HydrophobicContact CG-CE2 4.15Å; L61-F63 HydrophobicContact CG-CZ 4.11Å; L61-F63 VanDerWaalsContact O-CD1 3.31Å; L61-F63 WeakPolarHBondContact O-CD1 3.3Å; L61-F63 PolarHBondContact O-N 2.88Å; L61-F63 VanDerWaalsContact O-N 3.17Å
62S90.6Very high79.8Confident12 Ų1244 Ų448%0.08430%0.296CS..THydrogen-bonded Turntrans58.523.3-178.4-57.10000114.3T14 A58 Q59 I60 N64 K65T14-S62 WeakPolarHBondContact CG2-OG 3.32Å; A58-S62 CarbonylContact O-C 3.55Å; A58-S62 PolarHBondContact O-N 2.97Å; Q59-S62 PolarHBondContact O-N 2.78Å; Q59-S62 VanDerWaalsContact O-N 3.15Å; I60-S62 PolarHBondContact O-N 3.41Å; S62-N64 PolarHBondContact O-N 3.22Å; S62-K65 PolarHBondContact O-N 2.9Å
63F86.7Confident79.5Confident8 Ų840.5 Ų40.54%0.03528%0.277CS..G310 helixtrans-68.5-23175.1-61.3-17.1000112.1A11 A43 Y46 A58 L61 K65 S66 I72 F76A11-F63 HydrophobicContact CB-CD1 4.17Å; A43-F63 HydrophobicContact CB-CE2 3.94Å; A43-F63 HydrophobicContact CB-CZ 3.85Å; Y46-F63 AromaticContact CD1-CD2 3.95Å; Y46-F63 HydrophobicContact CD1-CD2 3.95Å; Y46-F63 HydrophobicContact CD1-CE2 4.05Å; Y46-F63 HydrophobicContact CE1-CD2 4.04Å; Y46-F63 HydrophobicContact CG-CD2 4.43Å; Y46-F63 HydrophobicContact CG-CE2 4.43Å; A58-F63 HydrophobicContact CB-CB 4.23Å; A58-F63 PolarHBondContact O-N 3.41Å; L61-F63 HydrophobicContact CB-CD1 3.87Å; L61-F63 HydrophobicContact CB-CD2 3.9Å; L61-F63 HydrophobicContact CB-CE1 3.66Å; L61-F63 HydrophobicContact CB-CE2 3.7Å; L61-F63 HydrophobicContact CB-CG 3.98Å; L61-F63 HydrophobicContact CB-CZ 3.55Å; L61-F63 HydrophobicContact CD1-CD2 4.09Å; L61-F63 HydrophobicContact CD1-CE2 3.36Å; L61-F63 HydrophobicContact CD1-CZ 3.64Å; L61-F63 HydrophobicContact CG-CE2 4.15Å; L61-F63 HydrophobicContact CG-CZ 4.11Å; L61-F63 VanDerWaalsContact O-CD1 3.31Å; L61-F63 WeakPolarHBondContact O-CD1 3.3Å; L61-F63 PolarHBondContact O-N 2.88Å; L61-F63 VanDerWaalsContact O-N 3.17Å; F63-K65 PolarHBondContact O-N 2.74Å; F63-K65 VanDerWaalsContact O-N 3.14Å; F63-S66 VanDerWaalsContact O-CB 3.26Å; F63-S66 WeakPolarHBondContact O-CB 3.48Å; F63-S66 PolarHBondContact O-N 2.79Å; F63-S66 PolarHBondContact O-OG 3.5Å; F63-I72 HydrophobicContact CD1-CD1 3.92Å; F63-I72 HydrophobicContact CD1-CG1 4.07Å; F63-I72 HydrophobicContact CD2-CG1 4.26Å; F63-I72 HydrophobicContact CE1-CD1 4.3Å; F63-I72 HydrophobicContact CE1-CG1 4.2Å; F63-I72 HydrophobicContact CE2-CG1 4.37Å; F63-I72 HydrophobicContact CG-CD1 4.25Å; F63-I72 HydrophobicContact CG-CG1 4.12Å; F63-I72 HydrophobicContact CZ-CG1 4.36Å; F63-F76 AromaticContact CE1-CE2 3.85Å; F63-F76 HydrophobicContact CE1-CE2 3.85Å; F63-F76 AromaticContact CE1-CZ 3.88Å; F63-F76 HydrophobicContact CE1-CZ 3.88Å; F63-F76 HydrophobicContact CE2-CE2 4.35Å; F63-F76 AromaticContact CZ-CE2 3.51Å; F63-F76 HydrophobicContact CZ-CE2 3.51Å; F63-F76 AromaticContact CZ-CZ 3.73Å; F63-F76 HydrophobicContact CZ-CZ 3.73Å
64N75Confident79.1Confident104 Ų10445 Ų4556%0.55630%0.297SS*.G310 helixtrans-62.6-23.9177.3-64.9-16.7000113.4A58 Q59 S62 S66A58-N64 WeakPolarHBondContact CB-OD1 3.44Å; A58-N64 PolarHBondContact O-N 2.7Å; Q59-N64 WeakPolarHBondContact CA-ND2 3.38Å; Q59-N64 PolarHBondContact N-ND2 3.09Å; S62-N64 PolarHBondContact O-N 3.22Å; N64-S66 PolarHBondContact O-N 2.74Å
65K64Low78.8Confident112 Ų11244.2 Ų44.249%0.48729%0.291SS..G310 helixtrans-74.2-11.1174.7-67.8-173.2171.2-170.40113E10 S62 F63 G67 E255E10-K65 IonicContact OE1-NZ 2.83Å; E10-K65 PolarHBondContact OE1-NZ 2.97Å; S62-K65 PolarHBondContact O-N 2.9Å; F63-K65 PolarHBondContact O-N 2.74Å; F63-K65 VanDerWaalsContact O-N 3.14Å; K65-G67 PolarHBondContact O-N 2.77Å; K65-G67 VanDerWaalsContact O-N 3.14Å; K65-E255 IonicContact NZ-OE1 3.36Å
66S57.6Low78.5Confident26 Ų2642 Ų4218%0.18227%0.272CS..G310 helixtrans-75.84.2-176.9750000115.1F63 N64 G68 G69F63-S66 VanDerWaalsContact O-CB 3.26Å; F63-S66 WeakPolarHBondContact O-CB 3.48Å; F63-S66 PolarHBondContact O-N 2.79Å; F63-S66 PolarHBondContact O-OG 3.5Å; N64-S66 PolarHBondContact O-N 2.74Å; S66-G68 PolarHBondContact O-N 3.01Å; S66-G69 PolarHBondContact O-N 3.15Å; S66-G69 VanDerWaalsContact O-N 3.08Å
67G44.3Very low78.2Confident68 Ų6843.7 Ų43.770%0.70128%0.28SS*.THydrogen-bonded Turntrans4453.1157.200000115.3K65 G69K65-G67 PolarHBondContact O-N 2.77Å; K65-G67 VanDerWaalsContact O-N 3.14Å; G67-G69 PolarHBondContact O-N 3.38Å
68G46.4Very low77.9Confident85 Ų8546 Ų4688%0.87630%0.296SS*.THydrogen-bonded Turntrans59.88.217400000116.5S66 G70S66-G68 PolarHBondContact O-N 3.01Å; G68-G70 VanDerWaalsContact C-N 3.34Å; G68-G70 PolarHBondContact O-N 3.01Å; G68-G70 VanDerWaalsContact O-N 3.1Å
69G39.3Very low77.7Confident47 Ų4746.5 Ų46.549%0.48530%0.299SS..  trans-86.961.8-173.700000113.3S66 G67S66-G69 PolarHBondContact O-N 3.15Å; S66-G69 VanDerWaalsContact O-N 3.08Å; G67-G69 PolarHBondContact O-N 3.38Å
70G56.2Low77.4Confident52 Ų5240.4 Ų40.454%0.53627%0.27SS..SBendtrans90.7167.9173.800000115.5G68 I72G68-G70 VanDerWaalsContact C-N 3.34Å; G68-G70 PolarHBondContact O-N 3.01Å; G68-G70 VanDerWaalsContact O-N 3.1Å; G70-I72 PolarHBondContact O-N 2.82Å
71D80.4Confident77.2Confident59 Ų5943.3 Ų43.332%0.31629%0.289SS..  trans-71112.3-179.2-179.8-5.3000110H73 Q74 G75D71-H73 PolarHBondContact O-N 3.26Å; D71-H73 VanDerWaalsContact OD1-CB 3.27Å; D71-H73 WeakPolarHBondContact OD1-CB 3.34Å; D71-H73 IonicContact OD1-CD2 2.66Å; D71-H73 PolarHBondContact OD1-CD2 3.31Å; D71-H73 VanDerWaalsContact OD1-CD2 3.23Å; D71-H73 IonicContact OD1-CG 2.83Å; D71-H73 PolarHBondContact OD1-N 3.29Å; D71-Q74 HydrophobicContact CB-CB 4.28Å; D71-Q74 HydrophobicContact CB-CG 3.87Å; D71-Q74 WeakPolarHBondContact O-CA 3.49Å; D71-Q74 WeakPolarHBondContact O-CB 3.41Å; D71-Q74 PolarHBondContact O-N 2.91Å; D71-G75 PolarHBondContact O-N 2.93Å
72I86.2Confident77Confident15 Ų1545.3 Ų45.38%0.07730%0.298CS..Hα-helixtrans-50.8-32.4179.8-164.774.2000111.8L8 Y46 F63 G70 G75 F76L8-I72 HydrophobicContact CD2-CD1 3.33Å; L8-I72 HydrophobicContact CD2-CG1 3.96Å; L8-I72 HydrophobicContact CG-CD1 3.98Å; Y46-I72 HydrophobicContact CE1-CG2 4.27Å; F63-I72 HydrophobicContact CD1-CD1 3.92Å; F63-I72 HydrophobicContact CD1-CG1 4.07Å; F63-I72 HydrophobicContact CD2-CG1 4.26Å; F63-I72 HydrophobicContact CE1-CD1 4.3Å; F63-I72 HydrophobicContact CE1-CG1 4.2Å; F63-I72 HydrophobicContact CE2-CG1 4.37Å; F63-I72 HydrophobicContact CG-CD1 4.25Å; F63-I72 HydrophobicContact CG-CG1 4.12Å; F63-I72 HydrophobicContact CZ-CG1 4.36Å; G70-I72 PolarHBondContact O-N 2.82Å; I72-G75 PolarHBondContact O-N 3.42Å; I72-F76 HydrophobicContact CG1-CD2 4.18Å; I72-F76 HydrophobicContact CG1-CE2 3.89Å; I72-F76 VanDerWaalsContact O-CD2 3.3Å; I72-F76 WeakPolarHBondContact O-CD2 3.24Å; I72-F76 PolarHBondContact O-N 2.83Å
73H90.1Very high76.7Confident19 Ų1944.8 Ų44.89%0.08829%0.294CS..Hα-helixtrans-71.1-34.8179.5-54.4-51.9000112.1A43 Y46 D71 G75 F76 Q77 F117 Y118A43-H73 PolarHBondContact O-CE1 2.98Å; Y46-H73 AromaticContact CD1-CE1 3.96Å; D71-H73 PolarHBondContact O-N 3.26Å; D71-H73 VanDerWaalsContact OD1-CB 3.27Å; D71-H73 WeakPolarHBondContact OD1-CB 3.34Å; D71-H73 IonicContact OD1-CD2 2.66Å; D71-H73 PolarHBondContact OD1-CD2 3.31Å; D71-H73 VanDerWaalsContact OD1-CD2 3.23Å; D71-H73 IonicContact OD1-CG 2.83Å; D71-H73 PolarHBondContact OD1-N 3.29Å; H73-G75 VanDerWaalsContact C-N 3.32Å; H73-F76 PolarHBondContact O-N 2.96Å; H73-Q77 WeakPolarHBondContact O-CB 3.46Å; H73-Q77 PolarHBondContact O-N 3.3Å; H73-F117 HydrophobicContact CB-CB 4.06Å; H73-F117 HydrophobicContact CB-CD1 3.9Å; H73-F117 HydrophobicContact CB-CD2 3.84Å; H73-F117 HydrophobicContact CB-CE1 4.25Å; H73-F117 HydrophobicContact CB-CE2 4.19Å; H73-F117 HydrophobicContact CB-CG 3.67Å; H73-F117 HydrophobicContact CB-CZ 4.37Å; H73-Y118 PolarHBondContact CE1-OH 2.97Å; H73-Y118 AromaticContact ND1-CE2 3.98Å; H73-Y118 AromaticContact ND1-CZ 3.72Å; H73-Y118 PolarHBondContact ND1-OH 3.25Å
74Q88.8Confident76.5Confident95 Ų9547.3 Ų47.344%0.44431%0.308SS..Hα-helixtrans-67.7-35.4171-66.9176.84.200111.7D71 Q77 S78 F117D71-Q74 HydrophobicContact CB-CB 4.28Å; D71-Q74 HydrophobicContact CB-CG 3.87Å; D71-Q74 WeakPolarHBondContact O-CA 3.49Å; D71-Q74 WeakPolarHBondContact O-CB 3.41Å; D71-Q74 PolarHBondContact O-N 2.91Å; Q74-Q77 WeakPolarHBondContact O-CB 3.5Å; Q74-Q77 PolarHBondContact O-N 3.39Å; Q74-S78 WeakPolarHBondContact O-CB 3.23Å; Q74-S78 PolarHBondContact O-N 3.44Å; Q74-S78 PolarHBondContact O-OG 3.35Å; Q74-F117 HydrophobicContact CG-CD1 4.47Å; Q74-F117 HydrophobicContact CG-CE1 3.79Å
75G88.8Confident76.9Confident0 Ų048.1 Ų48.10%031%0.307CS..Hα-helixtrans-61.9-47.7172.800000111.6D71 I72 H73 Q77 S78 L79D71-G75 PolarHBondContact O-N 2.93Å; I72-G75 PolarHBondContact O-N 3.42Å; H73-G75 VanDerWaalsContact C-N 3.32Å; G75-Q77 VanDerWaalsContact C-N 3.34Å; G75-Q77 PolarHBondContact O-N 2.86Å; G75-S78 PolarHBondContact O-N 2.63Å; G75-L79 WeakPolarHBondContact O-CB 3.31Å; G75-L79 PolarHBondContact O-N 2.79Å
76F89.8Confident77.6Confident2 Ų249.1 Ų49.11%0.00932%0.322CS..Hα-helixtrans-62.3-39.6174.6-82.2-66000112.5L8 C40 A43 F63 I72 H73 S78 L79 L80 Y118L8-F76 HydrophobicContact CD2-CD1 4.45Å; L8-F76 HydrophobicContact CD2-CD2 4.05Å; L8-F76 HydrophobicContact CD2-CE1 4.09Å; L8-F76 HydrophobicContact CD2-CE2 3.64Å; L8-F76 HydrophobicContact CD2-CG 4.44Å; L8-F76 HydrophobicContact CD2-CZ 3.66Å; C40-F76 HydrophobicContact CB-CD1 4.45Å; C40-F76 WeakPolarHBondContact SG-CD1 3.24Å; A43-F76 HydrophobicContact CB-CD2 3.81Å; A43-F76 HydrophobicContact CB-CE2 3.43Å; A43-F76 VanDerWaalsContact CB-CE2 3.43Å; A43-F76 HydrophobicContact CB-CZ 4.01Å; F63-F76 AromaticContact CE1-CE2 3.85Å; F63-F76 HydrophobicContact CE1-CE2 3.85Å; F63-F76 AromaticContact CE1-CZ 3.88Å; F63-F76 HydrophobicContact CE1-CZ 3.88Å; F63-F76 HydrophobicContact CE2-CE2 4.35Å; F63-F76 AromaticContact CZ-CE2 3.51Å; F63-F76 HydrophobicContact CZ-CE2 3.51Å; F63-F76 AromaticContact CZ-CZ 3.73Å; F63-F76 HydrophobicContact CZ-CZ 3.73Å; I72-F76 HydrophobicContact CG1-CD2 4.18Å; I72-F76 HydrophobicContact CG1-CE2 3.89Å; I72-F76 VanDerWaalsContact O-CD2 3.3Å; I72-F76 WeakPolarHBondContact O-CD2 3.24Å; I72-F76 PolarHBondContact O-N 2.83Å; H73-F76 PolarHBondContact O-N 2.96Å; F76-S78 VanDerWaalsContact C-N 3.33Å; F76-S78 PolarHBondContact O-N 3.2Å; F76-L79 PolarHBondContact O-N 3.26Å; F76-L80 WeakPolarHBondContact O-CB 3.35Å; F76-L80 VanDerWaalsContact O-CG 3.29Å; F76-L80 WeakPolarHBondContact O-CG 3.49Å; F76-L80 PolarHBondContact O-N 2.89Å; F76-Y118 HydrophobicContact CB-CD1 4.19Å; F76-Y118 HydrophobicContact CB-CE1 3.57Å; F76-Y118 HydrophobicContact CD1-CE1 4.47Å; F76-Y118 HydrophobicContact CD2-CE1 4.01Å; F76-Y118 AromaticContact CG-CE1 3.78Å; F76-Y118 HydrophobicContact CG-CE1 3.78Å
77Q90.8Very high78.6Confident62 Ų6251.1 Ų51.129%0.2935%0.347SS..Hα-helixtrans-57.6-47174.3-173.1-173.535.300111.8H73 Q74 G75 T81 K116 F117H73-Q77 WeakPolarHBondContact O-CB 3.46Å; H73-Q77 PolarHBondContact O-N 3.3Å; Q74-Q77 WeakPolarHBondContact O-CB 3.5Å; Q74-Q77 PolarHBondContact O-N 3.39Å; G75-Q77 VanDerWaalsContact C-N 3.34Å; G75-Q77 PolarHBondContact O-N 2.86Å; Q77-T81 WeakPolarHBondContact O-CB 3.28Å; Q77-T81 PolarHBondContact O-N 3.12Å; Q77-T81 PolarHBondContact O-OG1 2.78Å; Q77-K116 PolarHBondContact NE2-O 3.42Å; Q77-F117 WeakPolarHBondContact CA-O 3.38Å; Q77-F117 HydrophobicContact CB-CD1 4.3Å; Q77-F117 WeakPolarHBondContact CB-O 3.41Å; Q77-F117 PolarHBondContact N-O 2.94Å
78S89.4Confident80.3Confident47 Ų4749.5 Ų49.533%0.32932%0.324SS..Hα-helixtrans-65.5-42.3179.2-56.50000111.2Q74 G75 F76 T81 E82Q74-S78 WeakPolarHBondContact O-CB 3.23Å; Q74-S78 PolarHBondContact O-N 3.44Å; Q74-S78 PolarHBondContact O-OG 3.35Å; G75-S78 PolarHBondContact O-N 2.63Å; F76-S78 VanDerWaalsContact C-N 3.33Å; F76-S78 PolarHBondContact O-N 3.2Å; S78-T81 PolarHBondContact O-N 3.09Å; S78-E82 PolarHBondContact O-N 2.92Å
79L88.3Confident82.2Confident13 Ų1351.1 Ų51.17%0.06831%0.308CS..Hα-helixtrans-65-47.4179-178.157.1000111.8M36 G75 F76 T81 E82 V83 T368M36-L79 HydrophobicContact CE-CB 4.3Å; M36-L79 HydrophobicContact CE-CD1 4.43Å; M36-L79 HydrophobicContact CE-CD2 3.25Å; M36-L79 HydrophobicContact CE-CG 3.37Å; M36-L79 HydrophobicContact SD-CD2 3.39Å; M36-L79 WeakPolarHBondContact SD-CD2 3.38Å; M36-L79 HydrophobicContact SD-CG 4.12Å; G75-L79 WeakPolarHBondContact O-CB 3.31Å; G75-L79 PolarHBondContact O-N 2.79Å; F76-L79 PolarHBondContact O-N 3.26Å; L79-T81 VanDerWaalsContact C-N 3.3Å; L79-T81 PolarHBondContact O-N 2.85Å; L79-E82 PolarHBondContact O-N 2.67Å; L79-E82 VanDerWaalsContact O-N 3.15Å; L79-V83 HydrophobicContact CD1-CG1 4.06Å; L79-V83 WeakPolarHBondContact O-CG2 3.24Å; L79-V83 PolarHBondContact O-N 2.84Å; L79-T368 HydrophobicContact CD1-CG2 3.89Å
80L87.9Confident84.4Confident6 Ų649.5 Ų49.53%0.03129%0.288CS..Hα-helixtrans-60.9-38.8175.6-72.9173000112M36 F76 E82 N84 M94 Y118M36-L80 HydrophobicContact CE-CD2 4.12Å; F76-L80 WeakPolarHBondContact O-CB 3.35Å; F76-L80 VanDerWaalsContact O-CG 3.29Å; F76-L80 WeakPolarHBondContact O-CG 3.49Å; F76-L80 PolarHBondContact O-N 2.89Å; L80-E82 VanDerWaalsContact C-N 3.32Å; L80-E82 PolarHBondContact O-N 3Å; L80-N84 VanDerWaalsContact O-CB 3.25Å; L80-N84 WeakPolarHBondContact O-CB 3.38Å; L80-N84 PolarHBondContact O-N 2.85Å; L80-M94 HydrophobicContact CD2-CE 3.36Å; L80-M94 HydrophobicContact CD2-SD 4.18Å; L80-Y118 HydrophobicContact CD1-CD1 4.03Å
81T88.2Confident85.8Confident77 Ų7748.8 Ų48.847%0.47227%0.271SS..Hα-helixtrans-64.4-37.7175.6-580000111.9Q77 S78 L79 K85Q77-T81 WeakPolarHBondContact O-CB 3.28Å; Q77-T81 PolarHBondContact O-N 3.12Å; Q77-T81 PolarHBondContact O-OG1 2.78Å; S78-T81 PolarHBondContact O-N 3.09Å; L79-T81 VanDerWaalsContact C-N 3.3Å; L79-T81 PolarHBondContact O-N 2.85Å; T81-K85 PolarHBondContact O-N 2.67Å
82E88.6Confident86Confident43 Ų4346.4 Ų46.420%0.20126%0.259CS..Hα-helixtrans-71.1-50.2177.3-172.867.6-144.400111.6S78 L79 L80 N84 K85 K367 T368S78-E82 PolarHBondContact O-N 2.92Å; L79-E82 PolarHBondContact O-N 2.67Å; L79-E82 VanDerWaalsContact O-N 3.15Å; L80-E82 VanDerWaalsContact C-N 3.32Å; L80-E82 PolarHBondContact O-N 3Å; E82-N84 PolarHBondContact O-N 2.84Å; E82-K85 WeakPolarHBondContact O-CB 2.82Å; E82-K85 PolarHBondContact O-N 2.84Å; E82-K367 HydrophobicContact CG-CD 4.46Å; E82-K367 VanDerWaalsContact OE1-CD 3.26Å; E82-K367 WeakPolarHBondContact OE1-CD 3.45Å; E82-K367 WeakPolarHBondContact OE1-CE 3.38Å; E82-K367 IonicContact OE1-NZ 3.06Å; E82-K367 PolarHBondContact OE1-NZ 2.95Å; E82-K367 IonicContact OE2-NZ 3.82Å; E82-K367 PolarHBondContact OE2-NZ 3.44Å; E82-T368 HydrophobicContact CG-CG2 4.36Å
83V84.9Confident85.8Confident0 Ų051.4 Ų51.40%028%0.277CS..Hα-helixtrans-75-23.7-174.2-58.50000113.9L79 Y90 L92 M94 L372L79-V83 HydrophobicContact CD1-CG1 4.06Å; L79-V83 WeakPolarHBondContact O-CG2 3.24Å; L79-V83 PolarHBondContact O-N 2.84Å; V83-Y90 PolarHBondContact O-OH 2.82Å; V83-L92 HydrophobicContact CB-CD2 4.39Å; V83-L92 HydrophobicContact CG2-CD2 4.33Å; V83-M94 HydrophobicContact CG2-CE 4.09Å; V83-L372 HydrophobicContact CG1-CD2 4.36Å
84N81.9Confident85.5Confident61 Ų6152.2 Ų52.233%0.32628%0.281SS..THydrogen-bonded Turntrans-102.618176.3-64.6-29.7000112.7L80 E82 T86 M94L80-N84 VanDerWaalsContact O-CB 3.25Å; L80-N84 WeakPolarHBondContact O-CB 3.38Å; L80-N84 PolarHBondContact O-N 2.85Å; E82-N84 PolarHBondContact O-N 2.84Å; N84-T86 PolarHBondContact O-N 2.61Å; N84-M94 WeakPolarHBondContact ND2-CE 3.39Å; N84-M94 WeakPolarHBondContact OD1-CE 3.49Å
85K83.6Confident85.2Confident122 Ų12247.8 Ų47.853%0.5326%0.261SS..  trans-58.2139.6-179.4-172.4180175.9-171.20110.7T81 E82 T88T81-K85 PolarHBondContact O-N 2.67Å; E82-K85 WeakPolarHBondContact O-CB 2.82Å; E82-K85 PolarHBondContact O-N 2.84Å; K85-T88 HydrophobicContact CB-CG2 4.45Å; K85-T88 VanDerWaalsContact O-CG2 3.31Å; K85-T88 WeakPolarHBondContact O-CG2 3.41Å
86T78.6Confident85.2Confident132 Ų13248.8 Ų48.881%0.8127%0.266SS*.THydrogen-bonded Turntrans-67.6137.8174.655.60000110.8N84N84-T86 PolarHBondContact O-N 2.61Å
87G77.4Confident85.4Confident68 Ų6849.7 Ų49.770%0.70127%0.269SS*.THydrogen-bonded Turntrans95.93.4177.100000115.1
88T81.2Confident85.6Confident34 Ų3446.8 Ų46.821%0.20926%0.256CS..  trans-59.4150167.454.30000110.4K85 Y90 E231K85-T88 HydrophobicContact CB-CG2 4.45Å; K85-T88 VanDerWaalsContact O-CG2 3.31Å; K85-T88 WeakPolarHBondContact O-CG2 3.41Å; T88-Y90 HydrophobicContact CG2-CD1 4.46Å; T88-Y90 HydrophobicContact CG2-CE1 3.77Å; T88-Y90 PolarHBondContact O-N 2.74Å; T88-Y90 PolarHBondContact OG1-O 3.41Å; T88-E231 WeakPolarHBondContact CG2-OE2 3.36Å
89Q85.8Confident85.9Confident119 Ų11944.6 Ų44.656%0.55624%0.24SC*.SBendtrans-87.78.3177.4-61.2-64.6-5400112.7V228Q89-V228 HydrophobicContact CB-CB 3.99Å; Q89-V228 HydrophobicContact CB-CG1 3.68Å; Q89-V228 HydrophobicContact CG-CG1 3.85Å
90Y86Confident86.4Confident14 Ų1444 Ų446%0.05524%0.237CC..EExtended strand (participates in β ladder)trans-126.6159.5173.467.6-93.9000110.5V83 T88 L92 F173 E231 L232V83-Y90 PolarHBondContact O-OH 2.82Å; T88-Y90 HydrophobicContact CG2-CD1 4.46Å; T88-Y90 HydrophobicContact CG2-CE1 3.77Å; T88-Y90 PolarHBondContact O-N 2.74Å; T88-Y90 PolarHBondContact OG1-O 3.41Å; Y90-L92 HydrophobicContact CD2-CB 4.06Å; Y90-L92 HydrophobicContact CE2-CB 3.83Å; Y90-F173 HydrophobicContact CD2-CE2 4.19Å; Y90-F173 HydrophobicContact CG-CE2 4.35Å; Y90-E231 HydrophobicContact CD1-CB 4.46Å; Y90-E231 HydrophobicContact CE1-CB 4.03Å; Y90-E231 WeakPolarHBondContact CE1-OE2 3.5Å; Y90-L232 HydrophobicContact CD1-CD1 3.56Å; Y90-L232 HydrophobicContact CD1-CG 3.74Å; Y90-L232 HydrophobicContact CD2-CD1 3.68Å; Y90-L232 HydrophobicContact CE1-CD1 3.88Å; Y90-L232 HydrophobicContact CE1-CD2 4.21Å; Y90-L232 HydrophobicContact CE1-CG 3.77Å; Y90-L232 HydrophobicContact CE2-CD1 4.03Å; Y90-L232 HydrophobicContact CG-CD1 3.45Å; Y90-L232 VanDerWaalsContact CG-CD1 3.45Å; Y90-L232 HydrophobicContact CG-CG 4.18Å
91L84.3Confident86.8Confident36 Ų3643.7 Ų43.719%0.18824%0.236CC..EExtended strand (participates in β ladder)trans-111.5112.7175.4174.769.5000109.1R93 Y172 F173 R174L91-R93 HydrophobicContact CD1-CG 3.95Å; L91-R93 VanDerWaalsContact CD1-NH2 3.35Å; L91-R93 HydrophobicContact CG-CG 4.19Å; L91-Y172 HydrophobicContact CD2-CD1 4.5Å; L91-Y172 HydrophobicContact CD2-CE1 3.95Å; L91-F173 WeakPolarHBondContact O-CA 3.46Å; L91-R174 HydrophobicContact CB-CB 4.15Å; L91-R174 HydrophobicContact CD2-CB 4.34Å; L91-R174 PolarHBondContact N-O 2.73Å; L91-R174 PolarHBondContact O-N 3.04Å; L91-R174 VanDerWaalsContact O-O 3.11Å
92L84.9Confident87.1Confident10 Ų1045 Ų455%0.05223%0.234CC..EExtended strand (participates in β ladder)trans-114.1121.5169.3-17764.4000108.6V83 Y90 M94 V171 F173 L372 F373V83-L92 HydrophobicContact CB-CD2 4.39Å; V83-L92 HydrophobicContact CG2-CD2 4.33Å; Y90-L92 HydrophobicContact CD2-CB 4.06Å; Y90-L92 HydrophobicContact CE2-CB 3.83Å; L92-M94 HydrophobicContact CD2-CE 4.17Å; L92-M94 HydrophobicContact CG-CG 4.4Å; L92-V171 HydrophobicContact CD1-CG2 4.11Å; L92-F173 HydrophobicContact CD1-CB 4.26Å; L92-F173 HydrophobicContact CD1-CD2 4.39Å; L92-L372 HydrophobicContact CD2-CD1 4.41Å; L92-F373 HydrophobicContact CD1-CE2 3.78Å; L92-F373 HydrophobicContact CD1-CZ 3.75Å
93R82.4Confident87.4Confident119 Ų11945.8 Ų45.845%0.44925%0.245SC..EExtended strand (participates in β ladder)trans-118.4113.5175.8-66.3-64.5-175.7-126.1-0.1109L91 V171 Y172L91-R93 HydrophobicContact CD1-CG 3.95Å; L91-R93 VanDerWaalsContact CD1-NH2 3.35Å; L91-R93 HydrophobicContact CG-CG 4.19Å; R93-V171 WeakPolarHBondContact O-CA 3.48Å; R93-Y172 PolarHBondContact N-O 3.19Å; R93-Y172 PolarHBondContact O-N 3.44Å
94M83.3Confident87.8Confident37 Ų3745.9 Ų45.918%0.18225%0.246CC..EExtended strand (participates in β ladder)trans-106.8116.1173.6-68.6179.8-72.200109.1L80 V83 N84 L92 V171L80-M94 HydrophobicContact CD2-CE 3.36Å; L80-M94 HydrophobicContact CD2-SD 4.18Å; V83-M94 HydrophobicContact CG2-CE 4.09Å; N84-M94 WeakPolarHBondContact ND2-CE 3.39Å; N84-M94 WeakPolarHBondContact OD1-CE 3.49Å; L92-M94 HydrophobicContact CD2-CE 4.17Å; L92-M94 HydrophobicContact CG-CG 4.4Å; M94-V171 HydrophobicContact CG-CG2 4.08Å
95A82.9Confident88.3Confident2 Ų248.3 Ų48.32%0.01726%0.259CS..EExtended strand (participates in β ladder)trans-101.885.717500000108.6W141 K145 T146 A170A95-W141 HydrophobicContact CB-CH2 3.91Å; A95-W141 HydrophobicContact CB-CZ3 4.03Å; A95-K145 HydrophobicContact CB-CB 3.55Å; A95-K145 HydrophobicContact CB-CG 4.23Å; A95-T146 HydrophobicContact CB-CG2 4.38Å; A95-A170 WeakPolarHBondContact CA-O 3.35Å; A95-A170 HydrophobicContact CB-CB 4.13Å; A95-A170 PolarHBondContact N-O 3.09Å; A95-A170 PolarHBondContact O-N 3.43Å
96N88.8Confident88.8Confident20 Ų2043 Ų4311%0.10724%0.235CC..EExtended strand (participates in β ladder)trans-110.2120.3-178.9-60-13.5000108.9S37 M44 V168 N169S37-N96 PolarHBondContact OG-OD1 2.64Å; M44-N96 HydrophobicContact CE-CB 3.82Å; N96-V168 WeakPolarHBondContact CA-O 3.47Å; N96-N169 PolarHBondContact OD1-ND2 3.45Å
97R93.8Very high89.7Confident22 Ų2238.9 Ų38.98%0.08321%0.208CC..EExtended strand (participates in β ladder)trans-151.3144.5178.5178.6164.4-70.7-167.92.4111.4F99 E121 E123 W141 V168R97-F99 HydrophobicContact CB-CD2 4.47Å; R97-F99 HydrophobicContact CB-CE2 3.86Å; R97-F99 HydrophobicContact CB-CZ 4.18Å; R97-F99 VanDerWaalsContact CD-CE1 3.44Å; R97-F99 HydrophobicContact CG-CD1 4.35Å; R97-F99 HydrophobicContact CG-CD2 4.03Å; R97-F99 HydrophobicContact CG-CE1 4.01Å; R97-F99 HydrophobicContact CG-CE2 3.63Å; R97-F99 HydrophobicContact CG-CG 4.4Å; R97-F99 HydrophobicContact CG-CZ 3.65Å; R97-E121 WeakPolarHBondContact CG-O 3.07Å; R97-E121 IonicContact CZ-OE2 2.65Å; R97-E121 IonicContact NH1-OE2 2.66Å; R97-E121 IonicContact NH2-OE2 3.24Å; R97-E121 PolarHBondContact NH2-OE2 3.46Å; R97-E123 IonicContact CZ-OE2 2.82Å; R97-E123 IonicContact NH1-OE2 3.62Å; R97-E123 PolarHBondContact NH1-OE2 3.03Å; R97-W141 HydrophobicContact CB-CH2 3.34Å; R97-W141 HydrophobicContact CB-CZ2 3.74Å; R97-W141 HydrophobicContact CB-CZ3 3.8Å; R97-W141 HydrophobicContact CG-CH2 4.39Å; R97-W141 HydrophobicContact CG-CZ2 4.43Å; R97-W141 VanDerWaalsContact CZ-CE2 3.49Å; R97-W141 VanDerWaalsContact NH1-NE1 3.19Å; R97-V168 PolarHBondContact N-O 2.87Å; R97-V168 VanDerWaalsContact N-O 3.07Å; R97-V168 PolarHBondContact O-N 3.1Å
98L95.2Very high90.5Very high1 Ų139.7 Ų39.71%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-96.5130.2166.3-75.8167.5000109M44 V45 F110 M122 E123 L165 L167M44-L98 HydrophobicContact CB-CD1 4.32Å; V45-L98 HydrophobicContact CG2-CD1 4.47Å; V45-L98 HydrophobicContact CG2-CD2 3.79Å; L98-F110 HydrophobicContact CD1-CE1 4.01Å; L98-F110 HydrophobicContact CD1-CZ 3.82Å; L98-M122 HydrophobicContact CB-CB 4.42Å; L98-M122 HydrophobicContact CB-CG 4.07Å; L98-M122 WeakPolarHBondContact O-CA 3.5Å; L98-E123 PolarHBondContact O-N 3.4Å; L98-L165 HydrophobicContact CB-CD1 4.49Å; L98-L165 HydrophobicContact CD2-CD1 4.07Å; L98-L165 HydrophobicContact CD2-CG 4.31Å; L98-L167 HydrophobicContact CD2-CB 3.98Å; L98-L167 HydrophobicContact CD2-CD1 3.62Å; L98-L167 HydrophobicContact CD2-CG 4.38Å; L98-L167 HydrophobicContact CG-CD1 4.03Å
99F96.9Very high91.1Very high0 Ų041.2 Ų41.20%022%0.216CC..EExtended strand (participates in β ladder)trans-113.2111.7171.6-63.2-85.5000108.8R97 E123 L125 F127 I138 W141 L165 V166 V168R97-F99 HydrophobicContact CB-CD2 4.47Å; R97-F99 HydrophobicContact CB-CE2 3.86Å; R97-F99 HydrophobicContact CB-CZ 4.18Å; R97-F99 VanDerWaalsContact CD-CE1 3.44Å; R97-F99 HydrophobicContact CG-CD1 4.35Å; R97-F99 HydrophobicContact CG-CD2 4.03Å; R97-F99 HydrophobicContact CG-CE1 4.01Å; R97-F99 HydrophobicContact CG-CE2 3.63Å; R97-F99 HydrophobicContact CG-CG 4.4Å; R97-F99 HydrophobicContact CG-CZ 3.65Å; F99-E123 CarbonylContact C-O 3.45Å; F99-E123 VanDerWaalsContact CA-O 3.28Å; F99-E123 WeakPolarHBondContact CA-O 3.43Å; F99-E123 HydrophobicContact CD1-CB 3.88Å; F99-E123 HydrophobicContact CD1-CG 4.33Å; F99-E123 HydrophobicContact CE1-CB 4.07Å; F99-E123 HydrophobicContact CE1-CG 4.42Å; F99-E123 WeakPolarHBondContact CE1-OE2 3.42Å; F99-L125 HydrophobicContact CB-CD1 4.13Å; F99-L125 HydrophobicContact CD1-CD1 3.44Å; F99-L125 VanDerWaalsContact CD1-CD1 3.44Å; F99-L125 HydrophobicContact CD1-CG 3.97Å; F99-L125 HydrophobicContact CE1-CD1 4.1Å; F99-L125 HydrophobicContact CG-CD1 4.07Å; F99-F127 HydrophobicContact CB-CE2 4.38Å; F99-F127 HydrophobicContact CB-CZ 4.09Å; F99-I138 HydrophobicContact CB-CD1 4.22Å; F99-I138 HydrophobicContact CD1-CD1 4.35Å; F99-I138 HydrophobicContact CD1-CG1 3.88Å; F99-I138 HydrophobicContact CD2-CD1 4.06Å; F99-I138 HydrophobicContact CD2-CG1 3.92Å; F99-I138 HydrophobicContact CD2-CG2 4.41Å; F99-I138 HydrophobicContact CE1-CG1 3.82Å; F99-I138 HydrophobicContact CE2-CB 4.4Å; F99-I138 HydrophobicContact CE2-CD1 4.48Å; F99-I138 HydrophobicContact CE2-CG1 3.87Å; F99-I138 HydrophobicContact CE2-CG2 3.92Å; F99-I138 HydrophobicContact CG-CD1 3.96Å; F99-I138 HydrophobicContact CG-CG1 3.89Å; F99-I138 HydrophobicContact CZ-CB 4.33Å; F99-I138 HydrophobicContact CZ-CG1 3.79Å; F99-I138 HydrophobicContact CZ-CG2 4.24Å; F99-W141 HydrophobicContact CE2-CE3 4.29Å; F99-W141 HydrophobicContact CE2-CZ3 4.43Å; F99-W141 HydrophobicContact CZ-CD2 4.21Å; F99-W141 AromaticContact CZ-CE3 3.94Å; F99-W141 HydrophobicContact CZ-CE3 3.94Å; F99-W141 HydrophobicContact CZ-CZ3 4.44Å; F99-L165 WeakPolarHBondContact O-CA 3.28Å; F99-V166 HydrophobicContact CB-CB 4.34Å; F99-V166 PolarHBondContact N-O 3.29Å; F99-V166 PolarHBondContact O-N 2.99Å; F99-V168 HydrophobicContact CD2-CB 4.28Å; F99-V168 HydrophobicContact CD2-CG2 3.79Å; F99-V168 HydrophobicContact CE2-CB 3.94Å; F99-V168 HydrophobicContact CE2-CG2 3.7Å
100G96.8Very high91.5Very high0 Ų035.8 Ų35.80%019%0.19CC..EExtended strand (participates in β ladder)trans-102155.217900000111.9K102 E123 E124 L125 R164G100-K102 PolarHBondContact O-N 2.82Å; G100-E123 PolarHBondContact N-O 2.93Å; G100-E124 CarbonylContact O-C 3.55Å; G100-E124 WeakPolarHBondContact O-CA 3.29Å; G100-L125 PolarHBondContact O-N 3.41Å; G100-R164 CarbonylContact C-O 3.54Å; G100-R164 WeakPolarHBondContact CA-O 3.33Å
101E97.3Very high91.9Very high1 Ų139 Ų391%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-71127.2167.8-144.2-58.915300109.7S103 C104 F106 L125 F127 I128 R164E101-S103 PolarHBondContact O-N 2.89Å; E101-S103 WeakPolarHBondContact OE2-CA 3.27Å; E101-S103 VanDerWaalsContact OE2-CB 3.24Å; E101-S103 WeakPolarHBondContact OE2-CB 3.46Å; E101-S103 PolarHBondContact OE2-N 2.92Å; E101-S103 PolarHBondContact OE2-OG 2.94Å; E101-C104 WeakPolarHBondContact O-CB 3.41Å; E101-C104 PolarHBondContact O-N 2.94Å; E101-F106 WeakPolarHBondContact O-CE2 3.5Å; E101-L125 WeakPolarHBondContact CA-O 3.39Å; E101-F127 HydrophobicContact CB-CD2 4.23Å; E101-F127 HydrophobicContact CG-CB 4.03Å; E101-F127 HydrophobicContact CG-CD2 4.16Å; E101-F127 PolarHBondContact OE1-N 3.5Å; E101-I128 HydrophobicContact CG-CD1 4.24Å; E101-I128 HydrophobicContact CG-CG1 4.1Å; E101-I128 PolarHBondContact OE1-N 3.32Å; E101-R164 PolarHBondContact N-O 3.32Å
102K95.4Very high92.3Very high103 Ų10342.5 Ų42.545%0.44822%0.221SC..THydrogen-bonded Turntrans-53.3-15.3-178.867176.3-173.2-179.80117.4G100 E124 L125 D126G100-K102 PolarHBondContact O-N 2.82Å; K102-E124 WeakPolarHBondContact CA-OE2 2.92Å; K102-E124 HydrophobicContact CB-CB 4.09Å; K102-L125 PolarHBondContact N-O 3.49Å; K102-D126 HydrophobicContact CD-CB 3.95Å; K102-D126 VanDerWaalsContact CE-CG 3.42Å; K102-D126 WeakPolarHBondContact CE-OD2 3.48Å; K102-D126 IonicContact NZ-OD1 3.71Å; K102-D126 IonicContact NZ-OD2 3.77Å; K102-D126 PolarHBondContact NZ-OD2 3.31Å
103S94.4Very high92.7Very high60 Ų6043.7 Ų43.742%0.4223%0.23SC..THydrogen-bonded Turntrans-94.6-3.3179.560.40000112.7E101 D105E101-S103 PolarHBondContact O-N 2.89Å; E101-S103 WeakPolarHBondContact OE2-CA 3.27Å; E101-S103 VanDerWaalsContact OE2-CB 3.24Å; E101-S103 WeakPolarHBondContact OE2-CB 3.46Å; E101-S103 PolarHBondContact OE2-N 2.92Å; E101-S103 PolarHBondContact OE2-OG 2.94Å; S103-D105 VanDerWaalsContact C-N 3.34Å; S103-D105 PolarHBondContact O-N 3.44Å
104C92.8Very high93.1Very high2 Ų238 Ų381%0.01421%0.209CC..SBendtrans-92.225.6-179.2-63.30000113.4E101 F106 S310 L314E101-C104 WeakPolarHBondContact O-CB 3.41Å; E101-C104 PolarHBondContact O-N 2.94Å; C104-F106 HydrophobicContact CB-CD2 4.41Å; C104-F106 HydrophobicContact CB-CE1 4.48Å; C104-F106 HydrophobicContact CB-CE2 3.72Å; C104-F106 HydrophobicContact CB-CZ 3.75Å; C104-F106 PolarHBondContact O-N 3.23Å; C104-S310 VanDerWaalsContact O-CB 3.25Å; C104-S310 WeakPolarHBondContact O-CB 3.35Å; C104-S310 PolarHBondContact O-OG 3.41Å; C104-L314 HydrophobicContact CB-CD2 3.73Å; C104-L314 HydrophobicContact CB-CG 4.47Å
105D92.1Very high93.5Very high113 Ų11340.6 Ų40.660%0.60422%0.221SC*.  trans3458.5166.5-65.8-24.7000116.3S103 S310S103-D105 VanDerWaalsContact C-N 3.34Å; S103-D105 PolarHBondContact O-N 3.44Å; D105-S310 PolarHBondContact O-OG 3.1Å
106F95.5Very high94Very high9 Ų946.2 Ų46.24%0.03925%0.245CC..BIsolated β-bridgetrans-69.9135.6-176-64.3-82.3000112.8E101 C104 R111 M122 E124 L165 M309 L314E101-F106 WeakPolarHBondContact O-CE2 3.5Å; C104-F106 HydrophobicContact CB-CD2 4.41Å; C104-F106 HydrophobicContact CB-CE1 4.48Å; C104-F106 HydrophobicContact CB-CE2 3.72Å; C104-F106 HydrophobicContact CB-CZ 3.75Å; C104-F106 PolarHBondContact O-N 3.23Å; F106-R111 PolarHBondContact O-NE 3.1Å; F106-R111 PolarHBondContact O-NH2 3.4Å; F106-M122 HydrophobicContact CB-CE 4.48Å; F106-M122 HydrophobicContact CB-SD 4.27Å; F106-M122 HydrophobicContact CD1-CE 3.26Å; F106-M122 HydrophobicContact CD1-SD 3.8Å; F106-M122 HydrophobicContact CD2-CE 3.67Å; F106-M122 HydrophobicContact CD2-SD 4.44Å; F106-M122 HydrophobicContact CE1-CE 3.12Å; F106-M122 HydrophobicContact CE1-SD 4.24Å; F106-M122 HydrophobicContact CE2-CE 3.54Å; F106-M122 HydrophobicContact CG-CE 3.54Å; F106-M122 HydrophobicContact CG-SD 3.92Å; F106-M122 HydrophobicContact CZ-CE 3.28Å; F106-E124 HydrophobicContact CD2-CG 4.05Å; F106-E124 HydrophobicContact CE2-CG 4.45Å; F106-L165 HydrophobicContact CE1-CD1 4.37Å; F106-L165 HydrophobicContact CZ-CD1 4.36Å; F106-M309 CarbonylContact C-O 3.58Å; F106-M309 WeakPolarHBondContact CA-O 3.5Å; F106-M309 HydrophobicContact CD1-CB 4.33Å; F106-L314 HydrophobicContact CD1-CD1 4.13Å; F106-L314 HydrophobicContact CE1-CD1 3.38Å; F106-L314 HydrophobicContact CE1-CD2 4.4Å; F106-L314 HydrophobicContact CZ-CD1 4.06Å; F106-L314 HydrophobicContact CZ-CD2 4.27Å
107L95.9Very high94.1Very high46 Ų4646 Ų4624%0.24124%0.243CC..  trans-63.7133.1-179.8-62.3176.6000111.8S109 F110 R111 M309 Q311L107-S109 VanDerWaalsContact C-N 3.3Å; L107-S109 PolarHBondContact O-N 3.3Å; L107-F110 HydrophobicContact CB-CB 4.22Å; L107-F110 WeakPolarHBondContact O-CB 3.3Å; L107-F110 PolarHBondContact O-N 3.02Å; L107-R111 PolarHBondContact O-N 2.78Å; L107-M309 PolarHBondContact N-O 3.12Å; L107-Q311 HydrophobicContact CD2-CG 4.3Å
108S94.4Very high93.9Very high85 Ų8545.6 Ų45.659%0.59424%0.241SC*.Hα-helixtrans-60.4-40.2175.453.60000112.2F110 R111 D112S108-F110 PolarHBondContact O-N 3.01Å; S108-R111 WeakPolarHBondContact O-CB 3.39Å; S108-R111 PolarHBondContact O-N 3Å; S108-R111 VanDerWaalsContact O-N 3.1Å; S108-D112 VanDerWaalsContact O-CG 3.28Å; S108-D112 PolarHBondContact O-N 3.35Å
109S94.5Very high93.6Very high67 Ų6750.7 Ų50.747%0.46927%0.265SS..Hα-helixtrans-59.4-33.7177.6550000113.2L107 S113L107-S109 VanDerWaalsContact C-N 3.3Å; L107-S109 PolarHBondContact O-N 3.3Å; S109-S113 WeakPolarHBondContact O-CB 3.4Å; S109-S113 PolarHBondContact O-N 3.14Å; S109-S113 VanDerWaalsContact O-N 3.14Å; S109-S113 PolarHBondContact O-OG 2.73Å
110F94.3Very high93.1Very high5 Ų551 Ų512%0.02227%0.267CS..Hα-helixtrans-67.9-47.4174.4177.8-108.5000110.9M47 L98 L107 S108 D112 S113 C114 M122 M309M47-F110 HydrophobicContact CB-CE2 4.39Å; M47-F110 HydrophobicContact SD-CD2 4.44Å; L98-F110 HydrophobicContact CD1-CE1 4.01Å; L98-F110 HydrophobicContact CD1-CZ 3.82Å; L107-F110 HydrophobicContact CB-CB 4.22Å; L107-F110 WeakPolarHBondContact O-CB 3.3Å; L107-F110 PolarHBondContact O-N 3.02Å; S108-F110 PolarHBondContact O-N 3.01Å; F110-D112 PolarHBondContact O-N 2.85Å; F110-S113 PolarHBondContact O-N 2.94Å; F110-S113 VanDerWaalsContact O-N 3.13Å; F110-C114 PolarHBondContact O-N 2.76Å; F110-C114 PolarHBondContact O-SG 2.98Å; F110-M122 HydrophobicContact CD1-SD 3.94Å; F110-M122 HydrophobicContact CE1-SD 3.72Å; F110-M309 HydrophobicContact CD1-CB 4.18Å; F110-M309 HydrophobicContact CD1-CG 4.22Å; F110-M309 HydrophobicContact CD2-CG 4.06Å; F110-M309 HydrophobicContact CE1-CB 4.26Å; F110-M309 HydrophobicContact CE1-CG 3.93Å; F110-M309 HydrophobicContact CE1-SD 4.17Å; F110-M309 HydrophobicContact CE2-CE 4.1Å; F110-M309 HydrophobicContact CE2-CG 3.77Å; F110-M309 HydrophobicContact CE2-SD 4.42Å; F110-M309 HydrophobicContact CG-CB 4.35Å; F110-M309 HydrophobicContact CG-CG 4.29Å; F110-M309 HydrophobicContact CZ-CE 3.81Å; F110-M309 HydrophobicContact CZ-CG 3.71Å; F110-M309 HydrophobicContact CZ-SD 3.87Å
111R93.5Very high92.7Very high80 Ų8056 Ų5630%0.30229%0.291SS..Hα-helixtrans-60-45.4177.5-56.3176.3-157.4-156.80.8111.9F106 L107 S108 S113 C114 Q115 M122 E124F106-R111 PolarHBondContact O-NE 3.1Å; F106-R111 PolarHBondContact O-NH2 3.4Å; L107-R111 PolarHBondContact O-N 2.78Å; S108-R111 WeakPolarHBondContact O-CB 3.39Å; S108-R111 PolarHBondContact O-N 3Å; S108-R111 VanDerWaalsContact O-N 3.1Å; R111-S113 PolarHBondContact O-N 2.98Å; R111-C114 WeakPolarHBondContact O-CB 3.27Å; R111-C114 PolarHBondContact O-N 3.4Å; R111-Q115 PolarHBondContact O-N 3.31Å; R111-M122 HydrophobicContact CG-CB 4.42Å; R111-E124 IonicContact CZ-OE1 3.23Å; R111-E124 IonicContact NH1-OE1 3.47Å; R111-E124 PolarHBondContact NH1-OE1 3.41Å; R111-E124 IonicContact NH2-OE1 3.26Å; R111-E124 PolarHBondContact NH2-OE1 2.98Å
112D93.6Very high92.4Very high111 Ų11157 Ų5759%0.59430%0.295SS*.Hα-helixtrans-59.8-37.7177.3-67.9-20.9000111.2S108 F110 Q115 K116S108-D112 VanDerWaalsContact O-CG 3.28Å; S108-D112 PolarHBondContact O-N 3.35Å; F110-D112 PolarHBondContact O-N 2.85Å; D112-Q115 PolarHBondContact O-N 3.25Å; D112-K116 VanDerWaalsContact O-CB 3.23Å; D112-K116 WeakPolarHBondContact O-CB 3.47Å; D112-K116 PolarHBondContact O-N 2.83Å
113S92.3Very high92.4Very high34 Ų3454.4 Ų54.424%0.23829%0.285CS..Hα-helixtrans-73.6-38.4178.8-57.90000112.4M47 S109 F110 R111 Q115 K116 F117M47-S113 WeakPolarHBondContact SD-CB 3.31Å; S109-S113 WeakPolarHBondContact O-CB 3.4Å; S109-S113 PolarHBondContact O-N 3.14Å; S109-S113 VanDerWaalsContact O-N 3.14Å; S109-S113 PolarHBondContact O-OG 2.73Å; F110-S113 PolarHBondContact O-N 2.94Å; F110-S113 VanDerWaalsContact O-N 3.13Å; R111-S113 PolarHBondContact O-N 2.98Å; S113-Q115 VanDerWaalsContact C-N 3.33Å; S113-Q115 PolarHBondContact O-N 3Å; S113-K116 PolarHBondContact O-N 2.9Å; S113-F117 WeakPolarHBondContact O-CB 3.18Å; S113-F117 VanDerWaalsContact O-CD2 3.24Å; S113-F117 WeakPolarHBondContact O-CD2 3.33Å; S113-F117 PolarHBondContact O-N 3.29Å
114C92.2Very high92.5Very high1 Ų154.8 Ų54.81%0.00728%0.28CS..Hα-helixtrans-55.9-48.3170.1-71.40000111.1F110 R111 Y118 Q119 A120F110-C114 PolarHBondContact O-N 2.76Å; F110-C114 PolarHBondContact O-SG 2.98Å; R111-C114 WeakPolarHBondContact O-CB 3.27Å; R111-C114 PolarHBondContact O-N 3.4Å; C114-Y118 WeakPolarHBondContact O-CA 3.47Å; C114-Y118 WeakPolarHBondContact O-CB 3.41Å; C114-Y118 PolarHBondContact O-N 3.07Å; C114-Q119 PolarHBondContact O-N 2.94Å; C114-A120 CarbonylContact C-O 3.45Å; C114-A120 WeakPolarHBondContact CB-O 3.38Å
115Q91.6Very high92.7Very high91 Ų9155.5 Ų55.543%0.42528%0.284SS..Hα-helixtrans-64.4-46.3178.8-174.161.625.500111.5R111 D112 S113 Q119 A120R111-Q115 PolarHBondContact O-N 3.31Å; D112-Q115 PolarHBondContact O-N 3.25Å; S113-Q115 VanDerWaalsContact C-N 3.33Å; S113-Q115 PolarHBondContact O-N 3Å; Q115-Q119 WeakPolarHBondContact O-CA 3.31Å; Q115-Q119 PolarHBondContact O-N 2.85Å; Q115-Q119 VanDerWaalsContact O-N 3.1Å; Q115-A120 WeakPolarHBondContact CA-O 3.3Å; Q115-A120 PolarHBondContact N-O 2.97Å
116K92.1Very high92.9Very high120 Ų12051.7 Ų51.752%0.52226%0.264SS..Hα-helixtrans-61.3-50.5-177.9178.3-177.6175.3-175.50112.5Q77 D112 S113Q77-K116 PolarHBondContact NE2-O 3.42Å; D112-K116 VanDerWaalsContact O-CB 3.23Å; D112-K116 WeakPolarHBondContact O-CB 3.47Å; D112-K116 PolarHBondContact O-N 2.83Å; S113-K116 PolarHBondContact O-N 2.9Å
117F90.6Very high93Very high16 Ų1651.3 Ų51.37%0.0726%0.262CS..Hα-helixtrans-91.2-28.4-169.6-64.3-60.9000113.7M47 H73 Q74 Q77 S113M47-F117 HydrophobicContact CE-CD2 3.82Å; M47-F117 HydrophobicContact SD-CD2 4.47Å; H73-F117 HydrophobicContact CB-CB 4.06Å; H73-F117 HydrophobicContact CB-CD1 3.9Å; H73-F117 HydrophobicContact CB-CD2 3.84Å; H73-F117 HydrophobicContact CB-CE1 4.25Å; H73-F117 HydrophobicContact CB-CE2 4.19Å; H73-F117 HydrophobicContact CB-CG 3.67Å; H73-F117 HydrophobicContact CB-CZ 4.37Å; Q74-F117 HydrophobicContact CG-CD1 4.47Å; Q74-F117 HydrophobicContact CG-CE1 3.79Å; Q77-F117 WeakPolarHBondContact CA-O 3.38Å; Q77-F117 HydrophobicContact CB-CD1 4.3Å; Q77-F117 WeakPolarHBondContact CB-O 3.41Å; Q77-F117 PolarHBondContact N-O 2.94Å; S113-F117 WeakPolarHBondContact O-CB 3.18Å; S113-F117 VanDerWaalsContact O-CD2 3.24Å; S113-F117 WeakPolarHBondContact O-CD2 3.33Å; S113-F117 PolarHBondContact O-N 3.29Å
118Y90.3Very high93Very high13 Ų1352.7 Ų52.75%0.05127%0.269CS..Hα-helixtrans-122.1-2-171.7-60.1-83.1000114.3C40 A43 M44 M47 H73 F76 L80 C114 A120C40-Y118 HydrophobicContact CB-CD1 4.27Å; C40-Y118 HydrophobicContact CB-CE1 4.46Å; C40-Y118 WeakPolarHBondContact O-CE1 3.32Å; A43-Y118 HydrophobicContact CB-CE1 4Å; A43-Y118 WeakPolarHBondContact CB-OH 3.2Å; A43-Y118 PolarHBondContact O-OH 2.88Å; A43-Y118 VanDerWaalsContact O-OH 3.07Å; M44-Y118 HydrophobicContact CB-CD2 4.43Å; M44-Y118 HydrophobicContact CB-CE2 4.41Å; M44-Y118 HydrophobicContact CG-CD1 3.88Å; M44-Y118 HydrophobicContact CG-CD2 3.34Å; M44-Y118 HydrophobicContact CG-CE1 4.22Å; M44-Y118 HydrophobicContact CG-CE2 3.69Å; M44-Y118 HydrophobicContact CG-CG 3.39Å; M44-Y118 HydrophobicContact SD-CD2 4.27Å; M44-Y118 HydrophobicContact SD-CG 4.03Å; M47-Y118 HydrophobicContact CE-CD2 3.97Å; M47-Y118 HydrophobicContact CE-CE2 3.4Å; H73-Y118 PolarHBondContact CE1-OH 2.97Å; H73-Y118 AromaticContact ND1-CE2 3.98Å; H73-Y118 AromaticContact ND1-CZ 3.72Å; H73-Y118 PolarHBondContact ND1-OH 3.25Å; F76-Y118 HydrophobicContact CB-CD1 4.19Å; F76-Y118 HydrophobicContact CB-CE1 3.57Å; F76-Y118 HydrophobicContact CD1-CE1 4.47Å; F76-Y118 HydrophobicContact CD2-CE1 4.01Å; F76-Y118 AromaticContact CG-CE1 3.78Å; F76-Y118 HydrophobicContact CG-CE1 3.78Å; L80-Y118 HydrophobicContact CD1-CD1 4.03Å; C114-Y118 WeakPolarHBondContact O-CA 3.47Å; C114-Y118 WeakPolarHBondContact O-CB 3.41Å; C114-Y118 PolarHBondContact O-N 3.07Å; Y118-A120 PolarHBondContact O-N 3.44Å; Y118-A120 VanDerWaalsContact O-N 3.12Å
119Q88.1Confident93.2Very high108 Ų10853.3 Ų53.351%0.50527%0.273SS..SBendtrans53.730.5-174.4-52.4174.114.500111.5C114 Q115C114-Q119 PolarHBondContact O-N 2.94Å; Q115-Q119 WeakPolarHBondContact O-CA 3.31Å; Q115-Q119 PolarHBondContact O-N 2.85Å; Q115-Q119 VanDerWaalsContact O-N 3.1Å
120A88.4Confident93.3Very high5 Ų551.4 Ų51.44%0.04126%0.262CS..  trans-120.9137.1-173.500000109.6M44 C114 Q115 Y118M44-A120 HydrophobicContact CE-CB 4.09Å; M44-A120 HydrophobicContact SD-CB 3.43Å; M44-A120 WeakPolarHBondContact SD-CB 3.46Å; C114-A120 CarbonylContact C-O 3.45Å; C114-A120 WeakPolarHBondContact CB-O 3.38Å; Q115-A120 WeakPolarHBondContact CA-O 3.3Å; Q115-A120 PolarHBondContact N-O 2.97Å; Y118-A120 PolarHBondContact O-N 3.44Å; Y118-A120 VanDerWaalsContact O-N 3.12Å
121E86.9Confident93.4Very high106 Ų10652.4 Ų52.450%0.49527%0.268SS..  trans-90.5153.5176.2-66.5172.8175.300110.1R97R97-E121 WeakPolarHBondContact CG-O 3.07Å; R97-E121 IonicContact CZ-OE2 2.65Å; R97-E121 IonicContact NH1-OE2 2.66Å; R97-E121 IonicContact NH2-OE2 3.24Å; R97-E121 PolarHBondContact NH2-OE2 3.46Å
122M90.9Very high93.6Very high21 Ų2152.3 Ų52.310%0.10327%0.271CS..EExtended strand (participates in β ladder)trans-104.3131.9161.4179.4172-167.200108.5L98 F106 F110 R111 L165L98-M122 HydrophobicContact CB-CB 4.42Å; L98-M122 HydrophobicContact CB-CG 4.07Å; L98-M122 WeakPolarHBondContact O-CA 3.5Å; F106-M122 HydrophobicContact CB-CE 4.48Å; F106-M122 HydrophobicContact CB-SD 4.27Å; F106-M122 HydrophobicContact CD1-CE 3.26Å; F106-M122 HydrophobicContact CD1-SD 3.8Å; F106-M122 HydrophobicContact CD2-CE 3.67Å; F106-M122 HydrophobicContact CD2-SD 4.44Å; F106-M122 HydrophobicContact CE1-CE 3.12Å; F106-M122 HydrophobicContact CE1-SD 4.24Å; F106-M122 HydrophobicContact CE2-CE 3.54Å; F106-M122 HydrophobicContact CG-CE 3.54Å; F106-M122 HydrophobicContact CG-SD 3.92Å; F106-M122 HydrophobicContact CZ-CE 3.28Å; F110-M122 HydrophobicContact CD1-SD 3.94Å; F110-M122 HydrophobicContact CE1-SD 3.72Å; R111-M122 HydrophobicContact CG-CB 4.42Å; M122-L165 HydrophobicContact CE-CD1 3.84Å
123E95Very high93.8Very high49 Ų4955 Ų5523%0.22928%0.277CS..EExtended strand (participates in β ladder)trans-117.6139.3-179.9-174.2170.3-176.800110.7R97 L98 F99 G100 L125 H137R97-E123 IonicContact CZ-OE2 2.82Å; R97-E123 IonicContact NH1-OE2 3.62Å; R97-E123 PolarHBondContact NH1-OE2 3.03Å; L98-E123 PolarHBondContact O-N 3.4Å; F99-E123 CarbonylContact C-O 3.45Å; F99-E123 VanDerWaalsContact CA-O 3.28Å; F99-E123 WeakPolarHBondContact CA-O 3.43Å; F99-E123 HydrophobicContact CD1-CB 3.88Å; F99-E123 HydrophobicContact CD1-CG 4.33Å; F99-E123 HydrophobicContact CE1-CB 4.07Å; F99-E123 HydrophobicContact CE1-CG 4.42Å; F99-E123 WeakPolarHBondContact CE1-OE2 3.42Å; G100-E123 PolarHBondContact N-O 2.93Å; E123-L125 HydrophobicContact CG-CD2 4.19Å; E123-H137 VanDerWaalsContact CD-NE2 3.33Å; E123-H137 IonicContact OE1-CD2 2.94Å; E123-H137 IonicContact OE1-CE1 3.67Å; E123-H137 IonicContact OE1-NE2 2.75Å; E123-H137 PolarHBondContact OE1-NE2 3.38Å; E123-H137 IonicContact OE2-NE2 3.12Å; E123-H137 PolarHBondContact OE2-NE2 3Å
124E96.4Very high94.1Very high68 Ų6853.6 Ų53.632%0.31827%0.268SS..EExtended strand (participates in β ladder)trans-98.6126.4177.5-70.6176.2-112.800110.1G100 K102 F106 R111G100-E124 CarbonylContact O-C 3.55Å; G100-E124 WeakPolarHBondContact O-CA 3.29Å; K102-E124 WeakPolarHBondContact CA-OE2 2.92Å; K102-E124 HydrophobicContact CB-CB 4.09Å; F106-E124 HydrophobicContact CD2-CG 4.05Å; F106-E124 HydrophobicContact CE2-CG 4.45Å; R111-E124 IonicContact CZ-OE1 3.23Å; R111-E124 IonicContact NH1-OE1 3.47Å; R111-E124 PolarHBondContact NH1-OE1 3.41Å; R111-E124 IonicContact NH2-OE1 3.26Å; R111-E124 PolarHBondContact NH2-OE1 2.98Å
125L97.3Very high94.4Very high17 Ų1754.3 Ų54.39%0.08927%0.27CS..EExtended strand (participates in β ladder)trans-123.1161.4-179.8-62.3-178.2000111F99 G100 E101 K102 E123 F127 I138F99-L125 HydrophobicContact CB-CD1 4.13Å; F99-L125 HydrophobicContact CD1-CD1 3.44Å; F99-L125 VanDerWaalsContact CD1-CD1 3.44Å; F99-L125 HydrophobicContact CD1-CG 3.97Å; F99-L125 HydrophobicContact CE1-CD1 4.1Å; F99-L125 HydrophobicContact CG-CD1 4.07Å; G100-L125 PolarHBondContact O-N 3.41Å; E101-L125 WeakPolarHBondContact CA-O 3.39Å; K102-L125 PolarHBondContact N-O 3.49Å; E123-L125 HydrophobicContact CG-CD2 4.19Å; L125-F127 HydrophobicContact CB-CD2 4.45Å; L125-F127 HydrophobicContact CB-CE2 4.06Å; L125-F127 HydrophobicContact CB-CZ 4.16Å; L125-F127 HydrophobicContact CD1-CE1 4.48Å; L125-F127 HydrophobicContact CD1-CZ 4.04Å; L125-F127 PolarHBondContact O-N 2.97Å; L125-I138 HydrophobicContact CD1-CD1 3.84Å; L125-I138 HydrophobicContact CD1-CG1 3.71Å
126D97.5Very high94.7Very high34 Ų3455.9 Ų55.918%0.18228%0.276CS..  trans-95.784.1177.5-171.4-11.6000109K102 I128 S129 A130 S134K102-D126 HydrophobicContact CD-CB 3.95Å; K102-D126 VanDerWaalsContact CE-CG 3.42Å; K102-D126 WeakPolarHBondContact CE-OD2 3.48Å; K102-D126 IonicContact NZ-OD1 3.71Å; K102-D126 IonicContact NZ-OD2 3.77Å; K102-D126 PolarHBondContact NZ-OD2 3.31Å; D126-I128 VanDerWaalsContact C-N 3.32Å; D126-I128 PolarHBondContact OD1-N 3.3Å; D126-S129 WeakPolarHBondContact OD1-CA 3.5Å; D126-S129 WeakPolarHBondContact OD1-CB 3.46Å; D126-S129 PolarHBondContact OD1-N 2.95Å; D126-S129 PolarHBondContact OD1-OG 3.36Å; D126-A130 HydrophobicContact CB-CB 4.03Å; D126-A130 CarbonylContact O-C 3.17Å; D126-A130 WeakPolarHBondContact O-CA 3.35Å; D126-A130 PolarHBondContact O-N 2.9Å; D126-S134 PolarHBondContact N-OG 2.85Å; D126-S134 PolarHBondContact O-OG 3.32Å
127F97.5Very high94.9Very high0 Ų053.7 Ų53.70%027%0.267CS..THydrogen-bonded Turntrans-77.4-22175.5-64.7-70.1000111.4F99 E101 L125 V131 I138 V159 P161 T163 V166F99-F127 HydrophobicContact CB-CE2 4.38Å; F99-F127 HydrophobicContact CB-CZ 4.09Å; E101-F127 HydrophobicContact CB-CD2 4.23Å; E101-F127 HydrophobicContact CG-CB 4.03Å; E101-F127 HydrophobicContact CG-CD2 4.16Å; E101-F127 PolarHBondContact OE1-N 3.5Å; L125-F127 HydrophobicContact CB-CD2 4.45Å; L125-F127 HydrophobicContact CB-CE2 4.06Å; L125-F127 HydrophobicContact CB-CZ 4.16Å; L125-F127 HydrophobicContact CD1-CE1 4.48Å; L125-F127 HydrophobicContact CD1-CZ 4.04Å; L125-F127 PolarHBondContact O-N 2.97Å; F127-V131 WeakPolarHBondContact O-CG2 3.2Å; F127-I138 HydrophobicContact CE1-CD1 4.08Å; F127-I138 HydrophobicContact CZ-CD1 3.98Å; F127-V159 HydrophobicContact CD1-CB 4.46Å; F127-V159 HydrophobicContact CE1-CB 4.48Å; F127-V159 HydrophobicContact CE1-CG1 4.43Å; F127-P161 WeakPolarHBondContact O-CA 3.39Å; F127-T163 HydrophobicContact CB-CG2 4.43Å; F127-T163 HydrophobicContact CD1-CG2 3.97Å; F127-T163 HydrophobicContact CD2-CG2 3.94Å; F127-T163 HydrophobicContact CE1-CG2 4.16Å; F127-T163 HydrophobicContact CE2-CG2 4.13Å; F127-T163 HydrophobicContact CG-CG2 3.86Å; F127-T163 HydrophobicContact CZ-CG2 4.23Å; F127-V166 HydrophobicContact CE1-CG2 4.5Å; F127-V166 HydrophobicContact CE2-CG2 4.46Å; F127-V166 HydrophobicContact CZ-CG2 4Å
128I96.2Very high95.2Very high75 Ų7552.9 Ų52.939%0.38526%0.264SS..THydrogen-bonded Turntrans-76.1-49.7-177.7-65.3170.4000111.6E101 D126E101-I128 HydrophobicContact CG-CD1 4.24Å; E101-I128 HydrophobicContact CG-CG1 4.1Å; E101-I128 PolarHBondContact OE1-N 3.32Å; D126-I128 VanDerWaalsContact C-N 3.32Å; D126-I128 PolarHBondContact OD1-N 3.3Å
129S97.2Very high95.5Very high98 Ų9852.9 Ų52.969%0.68526%0.264SS*.THydrogen-bonded Turntrans-103.1-17.4-171.9-460000113.2D126D126-S129 WeakPolarHBondContact OD1-CA 3.5Å; D126-S129 WeakPolarHBondContact OD1-CB 3.46Å; D126-S129 PolarHBondContact OD1-N 2.95Å; D126-S129 PolarHBondContact OD1-OG 3.36Å
130A97.3Very high95.9Very high28 Ų2851.4 Ų51.423%0.23126%0.263CS..  trans-137.638.9-172.400000114.2D126 E132 K133 S134D126-A130 HydrophobicContact CB-CB 4.03Å; D126-A130 CarbonylContact O-C 3.17Å; D126-A130 WeakPolarHBondContact O-CA 3.35Å; D126-A130 PolarHBondContact O-N 2.9Å; A130-E132 PolarHBondContact O-N 3.1Å; A130-K133 HydrophobicContact CB-CB 4.13Å; A130-K133 WeakPolarHBondContact O-CA 3.17Å; A130-K133 WeakPolarHBondContact O-CB 3.43Å; A130-K133 PolarHBondContact O-N 3.22Å; A130-S134 PolarHBondContact O-N 3.45Å; A130-S134 PolarHBondContact O-OG 2.91Å
131V97.2Very high96.2Very high26 Ų2652.1 Ų52.116%0.15826%0.264CS..Hα-helixtrans-39.1-59.3-178.1-176.40000113.5F127 K133 S134 R135 V159 P161F127-V131 WeakPolarHBondContact O-CG2 3.2Å; V131-K133 VanDerWaalsContact C-N 3.32Å; V131-K133 PolarHBondContact O-N 3.5Å; V131-S134 WeakPolarHBondContact O-CB 2.91Å; V131-S134 PolarHBondContact O-N 2.98Å; V131-R135 PolarHBondContact O-N 3.4Å; V131-V159 HydrophobicContact CG1-CG2 3.89Å; V131-V159 VanDerWaalsContact CG1-O 3.3Å; V131-V159 WeakPolarHBondContact CG1-O 3.24Å; V131-P161 HydrophobicContact CG2-CG 3.79Å
132E97.6Very high96.5Very high77 Ų7747 Ų4736%0.3624%0.241SC..Hα-helixtrans-68.7-29.7-175-82.9-60.2121.300113.1A130 R135 K136A130-E132 PolarHBondContact O-N 3.1Å; E132-R135 IonicContact OE1-NE 2.85Å; E132-R135 PolarHBondContact OE1-NE 3.45Å; E132-R135 IonicContact OE2-CZ 3.13Å; E132-R135 IonicContact OE2-NE 2.59Å; E132-R135 PolarHBondContact OE2-NE 3.41Å; E132-R135 IonicContact OE2-NH2 2.97Å; E132-R135 PolarHBondContact OE2-NH2 2.84Å; E132-K136 WeakPolarHBondContact O-CB 3.39Å; E132-K136 VanDerWaalsContact O-CG 3.3Å; E132-K136 WeakPolarHBondContact O-CG 3.37Å; E132-K136 PolarHBondContact O-N 3.47Å
133K97.9Very high96.5Very high167 Ų16747.1 Ų47.173%0.72625%0.245SC*.Hα-helixtrans-67.9-45.5173.6-173.3-176.2176.6-173.80109.8A130 V131 K136 H137A130-K133 HydrophobicContact CB-CB 4.13Å; A130-K133 WeakPolarHBondContact O-CA 3.17Å; A130-K133 WeakPolarHBondContact O-CB 3.43Å; A130-K133 PolarHBondContact O-N 3.22Å; V131-K133 VanDerWaalsContact C-N 3.32Å; V131-K133 PolarHBondContact O-N 3.5Å; K133-K136 PolarHBondContact O-N 3.04Å; K133-H137 WeakPolarHBondContact O-CB 3.44Å; K133-H137 PolarHBondContact O-N 3.12Å
134S98.1Very high96.4Very high6 Ų651.2 Ų51.24%0.04226%0.264CS..Hα-helixtrans-61.6-45176.9-59.80000111.5D126 A130 V131 H137 I138D126-S134 PolarHBondContact N-OG 2.85Å; D126-S134 PolarHBondContact O-OG 3.32Å; A130-S134 PolarHBondContact O-N 3.45Å; A130-S134 PolarHBondContact O-OG 2.91Å; V131-S134 WeakPolarHBondContact O-CB 2.91Å; V131-S134 PolarHBondContact O-N 2.98Å; S134-H137 PolarHBondContact O-N 3.44Å; S134-I138 WeakPolarHBondContact O-CG1 3.45Å; S134-I138 PolarHBondContact O-N 3.08Å
135R97.8Very high96Very high16 Ų1652.9 Ų52.96%0.0627%0.27CS..Hα-helixtrans-58.7-49.6175.1-170.8-169.56686.8-1.4112.4V131 E132 H137 I138 N139 E152 L154 S155 V159V131-R135 PolarHBondContact O-N 3.4Å; E132-R135 IonicContact OE1-NE 2.85Å; E132-R135 PolarHBondContact OE1-NE 3.45Å; E132-R135 IonicContact OE2-CZ 3.13Å; E132-R135 IonicContact OE2-NE 2.59Å; E132-R135 PolarHBondContact OE2-NE 3.41Å; E132-R135 IonicContact OE2-NH2 2.97Å; E132-R135 PolarHBondContact OE2-NH2 2.84Å; R135-H137 VanDerWaalsContact C-N 3.34Å; R135-H137 PolarHBondContact O-N 3.2Å; R135-I138 PolarHBondContact O-N 3.32Å; R135-N139 PolarHBondContact NH1-ND2 3.2Å; R135-N139 PolarHBondContact O-N 3.15Å; R135-N139 VanDerWaalsContact O-N 3.1Å; R135-E152 IonicContact NH1-OE1 2.61Å; R135-E152 PolarHBondContact NH1-OE1 2.87Å; R135-E152 VanDerWaalsContact NH1-OE1 3.1Å; R135-L154 HydrophobicContact CG-CB 3.75Å; R135-L154 HydrophobicContact CG-CD1 4.39Å; R135-L154 PolarHBondContact NH1-O 3.36Å; R135-S155 VanDerWaalsContact CD-O 3.32Å; R135-S155 WeakPolarHBondContact CD-O 3.42Å; R135-V159 HydrophobicContact CB-CG2 3.78Å; R135-V159 HydrophobicContact CG-CG2 4.02Å
136K97.7Very high95.4Very high123 Ų12352 Ų5254%0.53527%0.266SS..Hα-helixtrans-63.5-40.8179.6-74.6177.7-177.4-178.10111.8E132 K133 I138 N139 T140E132-K136 WeakPolarHBondContact O-CB 3.39Å; E132-K136 VanDerWaalsContact O-CG 3.3Å; E132-K136 WeakPolarHBondContact O-CG 3.37Å; E132-K136 PolarHBondContact O-N 3.47Å; K133-K136 PolarHBondContact O-N 3.04Å; K136-I138 PolarHBondContact O-N 3.25Å; K136-N139 PolarHBondContact O-N 2.9Å; K136-T140 PolarHBondContact O-N 2.94Å; K136-T140 PolarHBondContact O-OG1 3.48Å
137H97.8Very high94.9Very high74 Ų7455.4 Ų55.434%0.34328%0.28SS..Hα-helixtrans-57.6-47175.3179.375.4000112.1E123 K133 S134 R135 N139 T140 W141E123-H137 VanDerWaalsContact CD-NE2 3.33Å; E123-H137 IonicContact OE1-CD2 2.94Å; E123-H137 IonicContact OE1-CE1 3.67Å; E123-H137 IonicContact OE1-NE2 2.75Å; E123-H137 PolarHBondContact OE1-NE2 3.38Å; E123-H137 IonicContact OE2-NE2 3.12Å; E123-H137 PolarHBondContact OE2-NE2 3Å; K133-H137 WeakPolarHBondContact O-CB 3.44Å; K133-H137 PolarHBondContact O-N 3.12Å; S134-H137 PolarHBondContact O-N 3.44Å; R135-H137 VanDerWaalsContact C-N 3.34Å; R135-H137 PolarHBondContact O-N 3.2Å; H137-N139 PolarHBondContact O-N 3.26Å; H137-T140 PolarHBondContact O-N 3.39Å; H137-W141 WeakPolarHBondContact O-CB 3.43Å; H137-W141 PolarHBondContact O-N 2.64Å
138I96.6Very high94.4Very high0 Ų057.6 Ų57.60%030%0.303CS..Hα-helixtrans-58-47.9175.5-66.7167.3000110.8F99 L125 F127 S134 R135 K136 T140 W141 V142 L154 V168F99-I138 HydrophobicContact CB-CD1 4.22Å; F99-I138 HydrophobicContact CD1-CD1 4.35Å; F99-I138 HydrophobicContact CD1-CG1 3.88Å; F99-I138 HydrophobicContact CD2-CD1 4.06Å; F99-I138 HydrophobicContact CD2-CG1 3.92Å; F99-I138 HydrophobicContact CD2-CG2 4.41Å; F99-I138 HydrophobicContact CE1-CG1 3.82Å; F99-I138 HydrophobicContact CE2-CB 4.4Å; F99-I138 HydrophobicContact CE2-CD1 4.48Å; F99-I138 HydrophobicContact CE2-CG1 3.87Å; F99-I138 HydrophobicContact CE2-CG2 3.92Å; F99-I138 HydrophobicContact CG-CD1 3.96Å; F99-I138 HydrophobicContact CG-CG1 3.89Å; F99-I138 HydrophobicContact CZ-CB 4.33Å; F99-I138 HydrophobicContact CZ-CG1 3.79Å; F99-I138 HydrophobicContact CZ-CG2 4.24Å; L125-I138 HydrophobicContact CD1-CD1 3.84Å; L125-I138 HydrophobicContact CD1-CG1 3.71Å; F127-I138 HydrophobicContact CE1-CD1 4.08Å; F127-I138 HydrophobicContact CZ-CD1 3.98Å; S134-I138 WeakPolarHBondContact O-CG1 3.45Å; S134-I138 PolarHBondContact O-N 3.08Å; R135-I138 PolarHBondContact O-N 3.32Å; K136-I138 PolarHBondContact O-N 3.25Å; I138-T140 PolarHBondContact O-N 3.07Å; I138-W141 PolarHBondContact O-N 2.79Å; I138-V142 HydrophobicContact CG2-CG2 4.39Å; I138-V142 VanDerWaalsContact O-CG2 3.29Å; I138-V142 WeakPolarHBondContact O-CG2 3.23Å; I138-V142 PolarHBondContact O-N 3Å; I138-L154 HydrophobicContact CB-CD1 4Å; I138-L154 HydrophobicContact CD1-CD1 3.64Å; I138-L154 HydrophobicContact CG1-CD1 4.43Å; I138-L154 HydrophobicContact CG2-CD1 3.68Å; I138-L154 HydrophobicContact CG2-CG 4.22Å; I138-V168 HydrophobicContact CG2-CG2 3.73Å
139N96.1Very high94Very high12 Ų1257 Ų576%0.06430%0.298CS..Hα-helixtrans-62.3-43.3179-76.7-21.9000112.7R135 K136 H137 W141 V142 A143 L153 L154R135-N139 PolarHBondContact NH1-ND2 3.2Å; R135-N139 PolarHBondContact O-N 3.15Å; R135-N139 VanDerWaalsContact O-N 3.1Å; K136-N139 PolarHBondContact O-N 2.9Å; H137-N139 PolarHBondContact O-N 3.26Å; N139-W141 PolarHBondContact O-N 3.07Å; N139-V142 PolarHBondContact O-N 3.16Å; N139-A143 WeakPolarHBondContact O-CB 3.5Å; N139-A143 PolarHBondContact O-N 3.27Å; N139-L153 PolarHBondContact OD1-N 3.34Å; N139-L154 PolarHBondContact ND2-O 2.8Å; N139-L154 PolarHBondContact OD1-N 3.48Å
140T96.6Very high93.4Very high77 Ų7752.3 Ų52.347%0.47227%0.265SS..Hα-helixtrans-59.6-47.2175.6-62.80000111.1K136 H137 I138 V142 A143 E144K136-T140 PolarHBondContact O-N 2.94Å; K136-T140 PolarHBondContact O-OG1 3.48Å; H137-T140 PolarHBondContact O-N 3.39Å; I138-T140 PolarHBondContact O-N 3.07Å; T140-V142 PolarHBondContact O-N 3.18Å; T140-A143 PolarHBondContact O-N 2.63Å; T140-E144 WeakPolarHBondContact O-CG 3.36Å; T140-E144 PolarHBondContact O-N 2.97Å
141W95.1Very high92.9Very high20 Ų2054.2 Ų54.28%0.07628%0.281CS..Hα-helixtrans-60.4-43.4177.3176.785.9000112.3A95 R97 F99 H137 I138 N139 E144 K145 V168A95-W141 HydrophobicContact CB-CH2 3.91Å; A95-W141 HydrophobicContact CB-CZ3 4.03Å; R97-W141 HydrophobicContact CB-CH2 3.34Å; R97-W141 HydrophobicContact CB-CZ2 3.74Å; R97-W141 HydrophobicContact CB-CZ3 3.8Å; R97-W141 HydrophobicContact CG-CH2 4.39Å; R97-W141 HydrophobicContact CG-CZ2 4.43Å; R97-W141 VanDerWaalsContact CZ-CE2 3.49Å; R97-W141 VanDerWaalsContact NH1-NE1 3.19Å; F99-W141 HydrophobicContact CE2-CE3 4.29Å; F99-W141 HydrophobicContact CE2-CZ3 4.43Å; F99-W141 HydrophobicContact CZ-CD2 4.21Å; F99-W141 AromaticContact CZ-CE3 3.94Å; F99-W141 HydrophobicContact CZ-CE3 3.94Å; F99-W141 HydrophobicContact CZ-CZ3 4.44Å; H137-W141 WeakPolarHBondContact O-CB 3.43Å; H137-W141 PolarHBondContact O-N 2.64Å; I138-W141 PolarHBondContact O-N 2.79Å; N139-W141 PolarHBondContact O-N 3.07Å; W141-E144 PolarHBondContact O-N 3.16Å; W141-K145 HydrophobicContact CD2-CG 4.18Å; W141-K145 HydrophobicContact CH2-CG 4.43Å; W141-K145 HydrophobicContact CZ2-CG 3.91Å; W141-K145 VanDerWaalsContact O-CG 3.31Å; W141-K145 WeakPolarHBondContact O-CG 3.47Å; W141-K145 PolarHBondContact O-N 2.8Å; W141-V168 HydrophobicContact CZ3-CG1 3.91Å
142V92.1Very high92.6Very high0 Ų057.6 Ų57.60%030%0.295CS..Hα-helixtrans-62.4-45.4176.6173.70000111.1I138 N139 T140 E144 K145 T146 I150 L153 V168 A170I138-V142 HydrophobicContact CG2-CG2 4.39Å; I138-V142 VanDerWaalsContact O-CG2 3.29Å; I138-V142 WeakPolarHBondContact O-CG2 3.23Å; I138-V142 PolarHBondContact O-N 3Å; N139-V142 PolarHBondContact O-N 3.16Å; T140-V142 PolarHBondContact O-N 3.18Å; V142-E144 VanDerWaalsContact C-N 3.34Å; V142-E144 PolarHBondContact O-N 3.32Å; V142-K145 PolarHBondContact O-N 3.28Å; V142-T146 HydrophobicContact CG1-CG2 4.28Å; V142-T146 WeakPolarHBondContact O-CB 3.4Å; V142-T146 WeakPolarHBondContact O-CG2 3.47Å; V142-T146 PolarHBondContact O-N 3.35Å; V142-T146 PolarHBondContact O-OG1 3.07Å; V142-I150 HydrophobicContact CG1-CB 4.01Å; V142-I150 HydrophobicContact CG1-CG2 3.63Å; V142-L153 HydrophobicContact CG1-CB 4.3Å; V142-L153 HydrophobicContact CG2-CB 4.27Å; V142-L153 HydrophobicContact CG2-CD2 3.75Å; V142-V168 HydrophobicContact CG2-CG1 3.68Å; V142-A170 HydrophobicContact CG1-CB 3.67Å
143A92.1Very high92.3Very high22 Ų2254.5 Ų54.518%0.18228%0.281CS..Hα-helixtrans-59.7-45.117900000111.1N139 T140 K145 T146 E147 G148 I150N139-A143 WeakPolarHBondContact O-CB 3.5Å; N139-A143 PolarHBondContact O-N 3.27Å; T140-A143 PolarHBondContact O-N 2.63Å; A143-K145 PolarHBondContact O-N 2.8Å; A143-T146 CarbonylContact O-C 3.6Å; A143-T146 PolarHBondContact O-N 2.7Å; A143-T146 PolarHBondContact O-OG1 2.97Å; A143-E147 PolarHBondContact O-N 2.98Å; A143-G148 WeakPolarHBondContact O-CA 3.44Å; A143-G148 PolarHBondContact O-N 2.81Å; A143-I150 VanDerWaalsContact CA-O 3.23Å; A143-I150 WeakPolarHBondContact CA-O 3.18Å; A143-I150 PolarHBondContact N-O 3.05Å
144E92.1Very high92.1Very high136 Ų13646.6 Ų46.664%0.63625%0.246SC*.Hα-helixtrans-60.6-44.5176.2-71.9173.3-176.600112.3T140 W141 V142 T146T140-E144 WeakPolarHBondContact O-CG 3.36Å; T140-E144 PolarHBondContact O-N 2.97Å; W141-E144 PolarHBondContact O-N 3.16Å; V142-E144 VanDerWaalsContact C-N 3.34Å; V142-E144 PolarHBondContact O-N 3.32Å; E144-T146 VanDerWaalsContact C-N 3.25Å; E144-T146 PolarHBondContact O-N 2.98Å
145K87.9Confident91.9Very high102 Ų10249.5 Ų49.544%0.44327%0.267SS..Hα-helixtrans-71.9-17.9-179.2-65.1-61.5179.7-1740114.1A95 W141 V142 A143A95-K145 HydrophobicContact CB-CB 3.55Å; A95-K145 HydrophobicContact CB-CG 4.23Å; W141-K145 HydrophobicContact CD2-CG 4.18Å; W141-K145 HydrophobicContact CH2-CG 4.43Å; W141-K145 HydrophobicContact CZ2-CG 3.91Å; W141-K145 VanDerWaalsContact O-CG 3.31Å; W141-K145 WeakPolarHBondContact O-CG 3.47Å; W141-K145 PolarHBondContact O-N 2.8Å; V142-K145 PolarHBondContact O-N 3.28Å; A143-K145 PolarHBondContact O-N 2.8Å
146T84.8Confident91.7Very high0 Ų053 Ų530%029%0.291CS..THydrogen-bonded Turntrans-112.119.5-177.460.70000112.7A95 V142 A143 E144 G148 K149 I150 A170A95-T146 HydrophobicContact CB-CG2 4.38Å; V142-T146 HydrophobicContact CG1-CG2 4.28Å; V142-T146 WeakPolarHBondContact O-CB 3.4Å; V142-T146 WeakPolarHBondContact O-CG2 3.47Å; V142-T146 PolarHBondContact O-N 3.35Å; V142-T146 PolarHBondContact O-OG1 3.07Å; A143-T146 CarbonylContact O-C 3.6Å; A143-T146 PolarHBondContact O-N 2.7Å; A143-T146 PolarHBondContact O-OG1 2.97Å; E144-T146 VanDerWaalsContact C-N 3.25Å; E144-T146 PolarHBondContact O-N 2.98Å; T146-G148 PolarHBondContact O-N 3Å; T146-G148 VanDerWaalsContact O-N 3.14Å; T146-K149 WeakPolarHBondContact O-CB 3.26Å; T146-K149 WeakPolarHBondContact O-CG 3.33Å; T146-K149 PolarHBondContact O-N 3.27Å; T146-I150 HydrophobicContact CG2-CB 4.24Å; T146-I150 HydrophobicContact CG2-CD1 4.04Å; T146-I150 HydrophobicContact CG2-CG1 4.38Å; T146-I150 WeakPolarHBondContact OG1-CB 3.48Å; T146-I150 PolarHBondContact OG1-N 3.49Å; T146-A170 HydrophobicContact CG2-CB 4.1Å
147E86.4Confident91.5Very high104 Ų10450.2 Ų50.249%0.48630%0.298SS..THydrogen-bonded Turntrans54.732.4180-56.4-172.6156.500113.2A143 K149A143-E147 PolarHBondContact O-N 2.98Å; E147-K149 PolarHBondContact O-N 2.81Å
148G88.8Confident91.3Very high47 Ų4747.7 Ų47.749%0.48529%0.289SS..THydrogen-bonded Turntrans76.7-0.2-178.500000114.8A143 T146 I150A143-G148 WeakPolarHBondContact O-CA 3.44Å; A143-G148 PolarHBondContact O-N 2.81Å; T146-G148 PolarHBondContact O-N 3Å; T146-G148 VanDerWaalsContact O-N 3.14Å; G148-I150 VanDerWaalsContact C-N 3.27Å; G148-I150 PolarHBondContact O-N 2.94Å
149K86.8Confident91.3Very high61 Ų6148 Ų4827%0.26529%0.29SS..SBendtrans-69.1-26.2179.6-62.1-73.3-171.2164.40112.1T146 E147 Y172 F324 E333T146-K149 WeakPolarHBondContact O-CB 3.26Å; T146-K149 WeakPolarHBondContact O-CG 3.33Å; T146-K149 PolarHBondContact O-N 3.27Å; E147-K149 PolarHBondContact O-N 2.81Å; K149-Y172 HydrophobicContact CB-CD2 4.33Å; K149-Y172 HydrophobicContact CD-CE2 4.43Å; K149-Y172 HydrophobicContact CG-CD2 4.11Å; K149-Y172 HydrophobicContact CG-CE2 3.87Å; K149-F324 HydrophobicContact CD-CE1 4.31Å; K149-F324 HydrophobicContact CD-CZ 4.23Å; K149-E333 IonicContact NZ-OE2 3.8Å; K149-E333 PolarHBondContact NZ-OE2 2.99Å
150I85Confident91.2Very high0 Ų050.9 Ų50.90%031%0.306CS..  trans-118.590.4173.8-59.5172.9000109.5V142 A143 T146 G148 A170 K322V142-I150 HydrophobicContact CG1-CB 4.01Å; V142-I150 HydrophobicContact CG1-CG2 3.63Å; A143-I150 VanDerWaalsContact CA-O 3.23Å; A143-I150 WeakPolarHBondContact CA-O 3.18Å; A143-I150 PolarHBondContact N-O 3.05Å; T146-I150 HydrophobicContact CG2-CB 4.24Å; T146-I150 HydrophobicContact CG2-CD1 4.04Å; T146-I150 HydrophobicContact CG2-CG1 4.38Å; T146-I150 WeakPolarHBondContact OG1-CB 3.48Å; T146-I150 PolarHBondContact OG1-N 3.49Å; G148-I150 VanDerWaalsContact C-N 3.27Å; G148-I150 PolarHBondContact O-N 2.94Å; I150-A170 HydrophobicContact CD1-CB 3.98Å; I150-K322 HydrophobicContact CD1-CB 4.34Å; I150-K322 HydrophobicContact CD1-CG 4.02Å; I150-K322 HydrophobicContact CG1-CG 4.35Å; I150-K322 HydrophobicContact CG2-CB 4.48Å; I150-K322 HydrophobicContact CG2-CD 3.58Å; I150-K322 HydrophobicContact CG2-CG 4.01Å
151A87.5Confident91.2Very high69 Ų6950.5 Ų50.557%0.5731%0.305SS*.  trans-81.8-39.7-17600000114
152E89.6Confident91.2Very high97 Ų9755.8 Ų55.845%0.45333%0.334SS..  trans-126111.1177.8-172.4162.6-137.400109.7R135 K322R135-E152 IonicContact NH1-OE1 2.61Å; R135-E152 PolarHBondContact NH1-OE1 2.87Å; R135-E152 VanDerWaalsContact NH1-OE1 3.1Å; E152-K322 PolarHBondContact O-NZ 3Å
153L91.1Very high91.4Very high11 Ų1156 Ų566%0.05834%0.336CS..SBendtrans-96-46.7173.9-17777.5000110.6N139 V142 V168 V320 K322N139-L153 PolarHBondContact OD1-N 3.34Å; V142-L153 HydrophobicContact CG1-CB 4.3Å; V142-L153 HydrophobicContact CG2-CB 4.27Å; V142-L153 HydrophobicContact CG2-CD2 3.75Å; L153-V168 HydrophobicContact CD2-CB 4.07Å; L153-V168 HydrophobicContact CD2-CG1 3.33Å; L153-V168 HydrophobicContact CD2-CG2 3.76Å; L153-V320 HydrophobicContact CD1-CG1 3.74Å; L153-V320 HydrophobicContact CD2-CB 4.43Å; L153-V320 HydrophobicContact CD2-CG1 4.4Å; L153-V320 HydrophobicContact CG-CB 4.38Å; L153-V320 HydrophobicContact CG-CG1 3.85Å; L153-K322 HydrophobicContact CD1-CB 3.27Å; L153-K322 HydrophobicContact CD1-CD 4Å; L153-K322 HydrophobicContact CD1-CG 4.22Å
154L94Very high91.5Very high1 Ų158.1 Ų58.11%0.00534%0.339CS..SBendtrans-103.2109.8-179.9-65.8-175.4000110R135 I138 N139 S158 V159 K318 V320R135-L154 HydrophobicContact CG-CB 3.75Å; R135-L154 HydrophobicContact CG-CD1 4.39Å; R135-L154 PolarHBondContact NH1-O 3.36Å; I138-L154 HydrophobicContact CB-CD1 4Å; I138-L154 HydrophobicContact CD1-CD1 3.64Å; I138-L154 HydrophobicContact CG1-CD1 4.43Å; I138-L154 HydrophobicContact CG2-CD1 3.68Å; I138-L154 HydrophobicContact CG2-CG 4.22Å; N139-L154 PolarHBondContact ND2-O 2.8Å; N139-L154 PolarHBondContact OD1-N 3.48Å; L154-S158 WeakPolarHBondContact CB-OG 3.48Å; L154-V159 HydrophobicContact CD1-CG1 4.1Å; L154-K318 HydrophobicContact CD2-CD 3.91Å; L154-V320 HydrophobicContact CD2-CB 4.46Å; L154-V320 HydrophobicContact CD2-CG2 3.69Å
155S93.9Very high91.7Very high67 Ų6751.6 Ų51.647%0.46931%0.308SS..  trans-68.3158174.355.90000112R135 G157 S158R135-S155 VanDerWaalsContact CD-O 3.32Å; R135-S155 WeakPolarHBondContact CD-O 3.42Å; S155-G157 PolarHBondContact O-N 2.94Å; S155-S158 PolarHBondContact N-OG 3.16Å; S155-S158 WeakPolarHBondContact O-CB 3.29Å; S155-S158 PolarHBondContact O-N 2.65Å; S155-S158 VanDerWaalsContact O-N 3.08Å; S155-S158 PolarHBondContact O-OG 3.42Å
156P94.8Very high92.2Very high89 Ų8946.8 Ų46.858%0.57829%0.287SS*.THydrogen-bonded Turntrans-53.3135.2173-25.635.2000111.9S158P156-S158 VanDerWaalsContact C-N 3.25Å; P156-S158 PolarHBondContact O-N 2.83Å
157G93.1Very high92.7Very high66 Ų6646.8 Ų46.868%0.6829%0.288SS*.THydrogen-bonded Turntrans76.72.6-177.400000115.4S155 V159S155-G157 PolarHBondContact O-N 2.94Å; G157-V159 VanDerWaalsContact C-N 3.27Å; G157-V159 PolarHBondContact O-N 2.81Å
158S92.8Very high93.1Very high21 Ų2141.9 Ų41.915%0.14726%0.264CS..SBendtrans-75.2-15.6177.465.40000114.5L154 S155 P156 K318L154-S158 WeakPolarHBondContact CB-OG 3.48Å; S155-S158 PolarHBondContact N-OG 3.16Å; S155-S158 WeakPolarHBondContact O-CB 3.29Å; S155-S158 PolarHBondContact O-N 2.65Å; S155-S158 VanDerWaalsContact O-N 3.08Å; S155-S158 PolarHBondContact O-OG 3.42Å; P156-S158 VanDerWaalsContact C-N 3.25Å; P156-S158 PolarHBondContact O-N 2.83Å; S158-K318 WeakPolarHBondContact O-CD 3.5Å; S158-K318 WeakPolarHBondContact O-CE 3.34Å; S158-K318 PolarHBondContact O-NZ 3.42Å
159V95.8Very high93.3Very high5 Ų539.8 Ų39.83%0.0324%0.242CC..SBendtrans-131.5154.2172.2-67.20000108.8F127 V131 R135 L154 G157 T163 V166 K318F127-V159 HydrophobicContact CD1-CB 4.46Å; F127-V159 HydrophobicContact CE1-CB 4.48Å; F127-V159 HydrophobicContact CE1-CG1 4.43Å; V131-V159 HydrophobicContact CG1-CG2 3.89Å; V131-V159 VanDerWaalsContact CG1-O 3.3Å; V131-V159 WeakPolarHBondContact CG1-O 3.24Å; R135-V159 HydrophobicContact CB-CG2 3.78Å; R135-V159 HydrophobicContact CG-CG2 4.02Å; L154-V159 HydrophobicContact CD1-CG1 4.1Å; G157-V159 VanDerWaalsContact C-N 3.27Å; G157-V159 PolarHBondContact O-N 2.81Å; V159-T163 HydrophobicContact CB-CG2 4.42Å; V159-T163 HydrophobicContact CG1-CG2 4.28Å; V159-V166 HydrophobicContact CG1-CG2 4.15Å; V159-K318 HydrophobicContact CG1-CD 4.43Å
160D96.1Very high93.4Very high73 Ų7336.9 Ų36.939%0.3923%0.229SC..  trans-148.8176.6-172.266.824.9000111.8L162 T163D160-L162 PolarHBondContact O-N 3.39Å; D160-L162 VanDerWaalsContact O-N 3.13Å; D160-L162 VanDerWaalsContact OD1-CA 3.3Å; D160-L162 WeakPolarHBondContact OD1-CA 3.38Å; D160-L162 WeakPolarHBondContact OD1-CB 3.37Å; D160-L162 PolarHBondContact OD1-N 3.5Å; D160-T163 PolarHBondContact N-OG1 2.95Å; D160-T163 WeakPolarHBondContact O-CB 3.28Å; D160-T163 PolarHBondContact O-N 2.95Å; D160-T163 PolarHBondContact O-OG1 3.4Å; D160-T163 PolarHBondContact OD1-N 3.21Å; D160-T163 PolarHBondContact OD1-OG1 3.38Å
161P96.6Very high93.5Very high69 Ų6936.9 Ų36.945%0.44823%0.229SC..THydrogen-bonded Turntrans-63.8-13177.9-24.936.3000115.8F127 V131 R164F127-P161 WeakPolarHBondContact O-CA 3.39Å; V131-P161 HydrophobicContact CG2-CG 3.79Å; P161-R164 PolarHBondContact O-NH1 2.85Å
162L94.2Very high93.4Very high131 Ų13133.8 Ų33.869%0.68620%0.203SC*.THydrogen-bonded Turntrans-89-8174.5-59.8179.7000112.1D160 R164D160-L162 PolarHBondContact O-N 3.39Å; D160-L162 VanDerWaalsContact O-N 3.13Å; D160-L162 VanDerWaalsContact OD1-CA 3.3Å; D160-L162 WeakPolarHBondContact OD1-CA 3.38Å; D160-L162 WeakPolarHBondContact OD1-CB 3.37Å; D160-L162 PolarHBondContact OD1-N 3.5Å; L162-R164 VanDerWaalsContact C-NH1 3.28Å; L162-R164 PolarHBondContact O-N 2.97Å; L162-R164 PolarHBondContact O-NH1 3.46Å
163T96.2Very high93.2Very high6 Ų629.2 Ų29.24%0.03718%0.182CC..  trans-62.3130.1176.2-60.50000110.5F127 V159 D160 V166F127-T163 HydrophobicContact CB-CG2 4.43Å; F127-T163 HydrophobicContact CD1-CG2 3.97Å; F127-T163 HydrophobicContact CD2-CG2 3.94Å; F127-T163 HydrophobicContact CE1-CG2 4.16Å; F127-T163 HydrophobicContact CE2-CG2 4.13Å; F127-T163 HydrophobicContact CG-CG2 3.86Å; F127-T163 HydrophobicContact CZ-CG2 4.23Å; V159-T163 HydrophobicContact CB-CG2 4.42Å; V159-T163 HydrophobicContact CG1-CG2 4.28Å; D160-T163 PolarHBondContact N-OG1 2.95Å; D160-T163 WeakPolarHBondContact O-CB 3.28Å; D160-T163 PolarHBondContact O-N 2.95Å; D160-T163 PolarHBondContact O-OG1 3.4Å; D160-T163 PolarHBondContact OD1-N 3.21Å; D160-T163 PolarHBondContact OD1-OG1 3.38Å; T163-V166 HydrophobicContact CG2-CG2 3.4Å; T163-V166 VanDerWaalsContact CG2-CG2 3.4Å
164R94.7Very high93Very high65 Ų6532.3 Ų32.325%0.24519%0.193CC..  trans-120.3-41.9-179.1-64.4-63.2175.4-91.70.2112.7G100 E101 P161 L162 L314 S317G100-R164 CarbonylContact C-O 3.54Å; G100-R164 WeakPolarHBondContact CA-O 3.33Å; E101-R164 PolarHBondContact N-O 3.32Å; P161-R164 PolarHBondContact O-NH1 2.85Å; L162-R164 VanDerWaalsContact C-NH1 3.28Å; L162-R164 PolarHBondContact O-N 2.97Å; L162-R164 PolarHBondContact O-NH1 3.46Å; R164-L314 HydrophobicContact CB-CD2 3.99Å; R164-S317 PolarHBondContact N-OG 3.06Å
165L96.4Very high92.8Very high0 Ų032.4 Ų32.40%019%0.194CC..EExtended strand (participates in β ladder)trans-145.5123.5-178.5-171.562.5000110.7L98 F99 F106 M122 M309 L316 S317 K318L98-L165 HydrophobicContact CB-CD1 4.49Å; L98-L165 HydrophobicContact CD2-CD1 4.07Å; L98-L165 HydrophobicContact CD2-CG 4.31Å; F99-L165 WeakPolarHBondContact O-CA 3.28Å; F106-L165 HydrophobicContact CE1-CD1 4.37Å; F106-L165 HydrophobicContact CZ-CD1 4.36Å; M122-L165 HydrophobicContact CE-CD1 3.84Å; L165-M309 HydrophobicContact CD2-SD 3.85Å; L165-L316 HydrophobicContact CD2-CD2 3.72Å; L165-L316 HydrophobicContact CG-CD2 3.95Å; L165-S317 PolarHBondContact N-OG 2.92Å; L165-S317 WeakPolarHBondContact O-CB 3.28Å; L165-S317 PolarHBondContact O-N 2.82Å; L165-K318 PolarHBondContact O-N 2.83Å
166V96.8Very high92.7Very high0 Ų031.1 Ų31.10%018%0.182CC..EExtended strand (participates in β ladder)trans-117.9123.1177.3-179.90000109F99 F127 V159 T163 V168 K318F99-V166 HydrophobicContact CB-CB 4.34Å; F99-V166 PolarHBondContact N-O 3.29Å; F99-V166 PolarHBondContact O-N 2.99Å; F127-V166 HydrophobicContact CE1-CG2 4.5Å; F127-V166 HydrophobicContact CE2-CG2 4.46Å; F127-V166 HydrophobicContact CZ-CG2 4Å; V159-V166 HydrophobicContact CG1-CG2 4.15Å; T163-V166 HydrophobicContact CG2-CG2 3.4Å; T163-V166 VanDerWaalsContact CG2-CG2 3.4Å; V166-V168 HydrophobicContact CG1-CG2 4.04Å; V166-K318 WeakPolarHBondContact CA-O 3.34Å; V166-K318 HydrophobicContact CG1-CB 4.23Å; V166-K318 HydrophobicContact CG2-CB 4.23Å
167L96.4Very high92.7Very high1 Ų127 Ų271%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-95.2117.9168.9179.162.6000109.5A41 L42 M44 V45 L98 K318 V319 V320A41-L167 HydrophobicContact CB-CD1 3.97Å; A41-L167 HydrophobicContact CB-CD2 3.93Å; A41-L167 HydrophobicContact CB-CG 4.21Å; L42-L167 HydrophobicContact CD2-CD2 3.85Å; L42-L167 HydrophobicContact CG-CD2 4.27Å; M44-L167 HydrophobicContact CE-CD1 4.36Å; V45-L167 HydrophobicContact CG2-CD1 4.4Å; V45-L167 HydrophobicContact CG2-CD2 3.91Å; L98-L167 HydrophobicContact CD2-CB 3.98Å; L98-L167 HydrophobicContact CD2-CD1 3.62Å; L98-L167 HydrophobicContact CD2-CG 4.38Å; L98-L167 HydrophobicContact CG-CD1 4.03Å; L167-K318 PolarHBondContact N-O 3.24Å; L167-V319 HydrophobicContact CB-CG1 4.27Å; L167-V319 HydrophobicContact CB-CG2 4.13Å; L167-V319 HydrophobicContact CD2-CG1 3.94Å; L167-V319 HydrophobicContact CD2-CG2 4.46Å; L167-V319 HydrophobicContact CG-CG1 4.33Å; L167-V319 WeakPolarHBondContact O-CA 3.4Å; L167-V320 PolarHBondContact O-N 2.84Å
168V93.9Very high92.8Very high0 Ų026.6 Ų26.60%014%0.137CC..EExtended strand (participates in β ladder)trans-103126.6174.4166.90000109.6N96 R97 F99 I138 W141 V142 L153 V166N96-V168 WeakPolarHBondContact CA-O 3.47Å; R97-V168 PolarHBondContact N-O 2.87Å; R97-V168 VanDerWaalsContact N-O 3.07Å; R97-V168 PolarHBondContact O-N 3.1Å; F99-V168 HydrophobicContact CD2-CB 4.28Å; F99-V168 HydrophobicContact CD2-CG2 3.79Å; F99-V168 HydrophobicContact CE2-CB 3.94Å; F99-V168 HydrophobicContact CE2-CG2 3.7Å; I138-V168 HydrophobicContact CG2-CG2 3.73Å; W141-V168 HydrophobicContact CZ3-CG1 3.91Å; V142-V168 HydrophobicContact CG2-CG1 3.68Å; L153-V168 HydrophobicContact CD2-CB 4.07Å; L153-V168 HydrophobicContact CD2-CG1 3.33Å; L153-V168 HydrophobicContact CD2-CG2 3.76Å; V166-V168 HydrophobicContact CG1-CG2 4.04Å
169N92.9Very high92.7Very high3 Ų329.7 Ų29.72%0.01615%0.149CC..EExtended strand (participates in β ladder)trans-132.599.3174.7-176.6-113.4000109.8S37 M38 A41 N96 V320 H321 K322S37-N169 VanDerWaalsContact C-ND2 3.27Å; S37-N169 PolarHBondContact O-ND2 3.39Å; S37-N169 VanDerWaalsContact O-ND2 3.07Å; S37-N169 PolarHBondContact OG-ND2 3.2Å; M38-N169 VanDerWaalsContact CG-OD1 3.23Å; M38-N169 WeakPolarHBondContact CG-OD1 3.43Å; M38-N169 PolarHBondContact N-OD1 3.46Å; A41-N169 HydrophobicContact CB-CB 4.02Å; N96-N169 PolarHBondContact OD1-ND2 3.45Å; N169-V320 PolarHBondContact N-O 3Å; N169-H321 VanDerWaalsContact O-CA 3.29Å; N169-H321 WeakPolarHBondContact O-CA 3.4Å; N169-H321 PolarHBondContact O-ND1 3.2Å; N169-H321 PolarHBondContact OD1-CE1 3.25Å; N169-H321 PolarHBondContact OD1-ND1 2.9Å; N169-K322 PolarHBondContact O-N 3Å
170A89.4Confident92.6Very high0 Ų032.6 Ų32.60%016%0.162CC..EExtended strand (participates in β ladder)trans-116141173.200000110.3A95 V142 T146 I150 K322A95-A170 WeakPolarHBondContact CA-O 3.35Å; A95-A170 HydrophobicContact CB-CB 4.13Å; A95-A170 PolarHBondContact N-O 3.09Å; A95-A170 PolarHBondContact O-N 3.43Å; V142-A170 HydrophobicContact CG1-CB 3.67Å; T146-A170 HydrophobicContact CG2-CB 4.1Å; I150-A170 HydrophobicContact CD1-CB 3.98Å; A170-K322 WeakPolarHBondContact CA-O 3.41Å
171V87.8Confident92.6Very high0 Ų029.4 Ų29.40%015%0.145CC..EExtended strand (participates in β ladder)trans-139.3134.1-175.363.60000110.7L92 R93 M94 K322 F324 F373L92-V171 HydrophobicContact CD1-CG2 4.11Å; R93-V171 WeakPolarHBondContact O-CA 3.48Å; M94-V171 HydrophobicContact CG-CG2 4.08Å; V171-K322 PolarHBondContact N-O 3.19Å; V171-K322 VanDerWaalsContact N-O 3.09Å; V171-F324 PolarHBondContact O-N 3.38Å; V171-F373 HydrophobicContact CB-CE1 4.39Å; V171-F373 HydrophobicContact CG1-CE1 3.79Å; V171-F373 HydrophobicContact CG1-CZ 4.48Å; V171-F373 HydrophobicContact CG2-CE1 3.71Å; V171-F373 HydrophobicContact CG2-CZ 3.52Å
172Y85.6Confident92.4Very high5 Ų529.5 Ų29.52%0.0214%0.142CC..EExtended strand (participates in β ladder)trans-126.9131.2175.1172-120.5000109.2L91 R93 K149 R174 F324L91-Y172 HydrophobicContact CD2-CD1 4.5Å; L91-Y172 HydrophobicContact CD2-CE1 3.95Å; R93-Y172 PolarHBondContact N-O 3.19Å; R93-Y172 PolarHBondContact O-N 3.44Å; K149-Y172 HydrophobicContact CB-CD2 4.33Å; K149-Y172 HydrophobicContact CD-CE2 4.43Å; K149-Y172 HydrophobicContact CG-CD2 4.11Å; K149-Y172 HydrophobicContact CG-CE2 3.87Å; Y172-R174 HydrophobicContact CE1-CB 4.19Å; Y172-F324 AromaticContact CD2-CD1 3.9Å; Y172-F324 HydrophobicContact CD2-CD1 3.9Å; Y172-F324 AromaticContact CE2-CD1 3.94Å; Y172-F324 HydrophobicContact CE2-CD1 3.94Å; Y172-F324 HydrophobicContact CE2-CE1 4.22Å
173F85.7Confident92.4Very high0 Ų028.5 Ų28.50%013%0.132CC..EExtended strand (participates in β ladder)trans-124.4141.6176.3168.7-102.2000110.5Y90 L91 L92 Y227 L232 T332 I363 F373Y90-F173 HydrophobicContact CD2-CE2 4.19Å; Y90-F173 HydrophobicContact CG-CE2 4.35Å; L91-F173 WeakPolarHBondContact O-CA 3.46Å; L92-F173 HydrophobicContact CD1-CB 4.26Å; L92-F173 HydrophobicContact CD1-CD2 4.39Å; F173-Y227 AromaticContact CE1-CE1 3.93Å; F173-Y227 HydrophobicContact CE1-CE1 3.93Å; F173-Y227 HydrophobicContact CE1-CE2 4.47Å; F173-Y227 AromaticContact CE1-CZ 3.77Å; F173-Y227 HydrophobicContact CZ-CD1 4.25Å; F173-Y227 AromaticContact CZ-CE1 3.85Å; F173-Y227 HydrophobicContact CZ-CE1 3.85Å; F173-Y227 HydrophobicContact CZ-CE2 4.26Å; F173-Y227 AromaticContact CZ-CZ 3.85Å; F173-L232 HydrophobicContact CD2-CD1 4.35Å; F173-L232 HydrophobicContact CE2-CD1 3.35Å; F173-L232 HydrophobicContact CZ-CD1 3.82Å; F173-T332 HydrophobicContact CD1-CG2 3.92Å; F173-T332 HydrophobicContact CE1-CG2 4.11Å; F173-T332 WeakPolarHBondContact O-CG2 3.29Å; F173-I363 HydrophobicContact CD1-CD1 3.65Å; F173-I363 HydrophobicContact CE1-CD1 3.63Å; F173-I363 HydrophobicContact CZ-CD1 4.46Å; F173-I363 HydrophobicContact CZ-CG2 4.44Å; F173-F373 HydrophobicContact CB-CD2 4.45Å; F173-F373 HydrophobicContact CB-CE1 4.32Å; F173-F373 HydrophobicContact CB-CE2 3.51Å; F173-F373 HydrophobicContact CB-CZ 3.42Å; F173-F373 VanDerWaalsContact CB-CZ 3.42Å; F173-F373 HydrophobicContact CD2-CE2 4.26Å; F173-F373 AromaticContact CG-CE2 3.87Å; F173-F373 HydrophobicContact CG-CE2 3.87Å; F173-F373 HydrophobicContact CG-CZ 4.29Å
174R85.8Confident92.4Very high76 Ų7636.4 Ų36.429%0.28717%0.168SC..EExtended strand (participates in β ladder)trans-147.8136.5176.1-174.4-169.3175.5172-3.6108.1L91 Y172 T332 E333L91-R174 HydrophobicContact CB-CB 4.15Å; L91-R174 HydrophobicContact CD2-CB 4.34Å; L91-R174 PolarHBondContact N-O 2.73Å; L91-R174 PolarHBondContact O-N 3.04Å; L91-R174 VanDerWaalsContact O-O 3.11Å; Y172-R174 HydrophobicContact CE1-CB 4.19Å; R174-T332 CarbonylContact C-O 3.56Å; R174-T332 WeakPolarHBondContact CG-O 3.41Å; R174-E333 HydrophobicContact CG-CB 4.41Å; R174-E333 PolarHBondContact NE-O 3.2Å; R174-E333 PolarHBondContact NH2-O 2.8Å
175G89.4Confident92.4Very high3 Ų336.8 Ų36.83%0.03118%0.175CC..EExtended strand (participates in β ladder)trans-173140.6-175.900000110.6Y227 G331 T332G175-Y227 WeakPolarHBondContact O-CD1 3.5Å; G175-Y227 VanDerWaalsContact O-CE1 3.27Å; G175-Y227 WeakPolarHBondContact O-CE1 3.3Å; G175-G331 CarbonylContact O-C 3.59Å; G175-G331 WeakPolarHBondContact O-CA 3.42Å; G175-T332 PolarHBondContact N-O 2.88Å; G175-T332 WeakPolarHBondContact O-CA 3.49Å; G175-T332 WeakPolarHBondContact O-CB 3.18Å; G175-T332 PolarHBondContact O-N 2.5Å
176N92.4Very high92.5Very high41 Ų4137.7 Ų37.722%0.21918%0.181CC..EExtended strand (participates in β ladder)trans-90.3145.8-176.3-68-21.8000111.4Y227 V228 E330 E333N176-Y227 CarbonylContact O-C 3.48Å; N176-Y227 WeakPolarHBondContact O-CA 3.42Å; N176-Y227 WeakPolarHBondContact O-CB 3.48Å; N176-Y227 VanDerWaalsContact O-CD1 3.27Å; N176-Y227 WeakPolarHBondContact O-CD1 3.31Å; N176-V228 HydrophobicContact CB-CG2 3.81Å; N176-V228 PolarHBondContact O-N 3.05Å; N176-E330 CarbonylContact C-O 3.49Å; N176-E330 VanDerWaalsContact CA-O 3.25Å; N176-E330 WeakPolarHBondContact CA-O 3.37Å; N176-E330 WeakPolarHBondContact CB-O 3.5Å; N176-E333 PolarHBondContact OD1-O 3.02Å
177W94.9Very high92.5Very high3 Ų342.7 Ų42.71%0.01120%0.204CC..BIsolated β-bridgetrans-59.7143.2169.6-61.6129.7000110E179 F181 L225 Y227 V228 M234 L275 V327 N328 E329 E330 G331W177-E179 VanDerWaalsContact CB-O 3.27Å; W177-E179 WeakPolarHBondContact CB-O 3.43Å; W177-E179 PolarHBondContact O-N 2.95Å; W177-F181 AromaticContact CD1-CD2 3.66Å; W177-F181 AromaticContact CD1-CE2 3.86Å; W177-F181 AromaticContact NE1-CD2 3.66Å; W177-F181 AromaticContact NE1-CE2 3.6Å; W177-L225 HydrophobicContact CE3-CB 4.18Å; W177-L225 HydrophobicContact CH2-CD1 4.47Å; W177-L225 HydrophobicContact CZ3-CB 3.91Å; W177-Y227 HydrophobicContact CE3-CD1 4.07Å; W177-Y227 AromaticContact CE3-CE1 3.88Å; W177-Y227 HydrophobicContact CE3-CE1 3.88Å; W177-Y227 HydrophobicContact CE3-CE2 4.44Å; W177-Y227 HydrophobicContact CE3-CG 4.42Å; W177-Y227 HydrophobicContact CH2-CE1 4.14Å; W177-Y227 HydrophobicContact CH2-CE2 4.4Å; W177-Y227 AromaticContact CH2-CZ 3.77Å; W177-Y227 WeakPolarHBondContact CH2-OH 3.32Å; W177-Y227 HydrophobicContact CZ3-CD1 4.19Å; W177-Y227 HydrophobicContact CZ3-CD2 4.23Å; W177-Y227 AromaticContact CZ3-CE1 3.64Å; W177-Y227 HydrophobicContact CZ3-CE1 3.64Å; W177-Y227 AromaticContact CZ3-CE2 3.7Å; W177-Y227 HydrophobicContact CZ3-CE2 3.7Å; W177-Y227 HydrophobicContact CZ3-CG 4.46Å; W177-Y227 AromaticContact CZ3-CZ 3.37Å; W177-V228 VanDerWaalsContact O-CG2 3.28Å; W177-V228 WeakPolarHBondContact O-CG2 3.43Å; W177-M234 HydrophobicContact CH2-CB 3.84Å; W177-M234 HydrophobicContact CH2-CE 3.87Å; W177-M234 HydrophobicContact CH2-CG 4.34Å; W177-M234 HydrophobicContact CH2-SD 3.64Å; W177-M234 HydrophobicContact CZ2-SD 4.45Å; W177-M234 HydrophobicContact CZ3-CB 3.75Å; W177-L275 HydrophobicContact CZ2-CD2 4.49Å; W177-V327 HydrophobicContact CZ2-CG1 3.99Å; W177-N328 PolarHBondContact NE1-O 3.08Å; W177-E329 VanDerWaalsContact CD1-O 3.29Å; W177-E330 PolarHBondContact N-O 3.38Å; W177-G331 VanDerWaalsContact NE1-CA 3.26Å
178D94.3Very high92.6Very high57 Ų5749.2 Ų49.231%0.30524%0.235SC..SBendtrans-58.7-39.5171.2-163.653.6000110.2P226 K230D178-P226 HydrophobicContact CB-CB 4.09Å; D178-P226 HydrophobicContact CB-CG 3.93Å; D178-P226 WeakPolarHBondContact CB-O 3.48Å; D178-P226 PolarHBondContact N-O 3.46Å; D178-K230 WeakPolarHBondContact OD2-CE 3.3Å; D178-K230 IonicContact OD2-NZ 2.72Å
179E91.4Very high92.8Very high86 Ų8653.4 Ų53.440%0.40225%0.25SS..SBendtrans-124.1113.7170.2-65.6179.7-163.700109.6W177 K206 S208W177-E179 VanDerWaalsContact CB-O 3.27Å; W177-E179 WeakPolarHBondContact CB-O 3.43Å; W177-E179 PolarHBondContact O-N 2.95Å; E179-K206 PolarHBondContact O-NZ 3.47Å; E179-S208 VanDerWaalsContact OE2-CB 3.27Å; E179-S208 WeakPolarHBondContact OE2-CB 3.44Å; E179-S208 PolarHBondContact OE2-OG 2.95Å
180Q94Very high93Very high65 Ų6557.9 Ų57.930%0.30427%0.274SS..PPolyproline II helixtrans-70.4155.5-178.4-63.6-177.7400111.9E329Q180-E329 WeakPolarHBondContact CA-O 3.23Å; Q180-E329 WeakPolarHBondContact CB-O 3.38Å
181F95Very high93.4Very high7 Ų757.9 Ų57.93%0.03127%0.274CS..PPolyproline II helixtrans-78.7151165.4-64.5-103.7000109.1W177 M204 K206 L225 V273 L275 E329W177-F181 AromaticContact CD1-CD2 3.66Å; W177-F181 AromaticContact CD1-CE2 3.86Å; W177-F181 AromaticContact NE1-CD2 3.66Å; W177-F181 AromaticContact NE1-CE2 3.6Å; F181-M204 HydrophobicContact CB-CB 4.25Å; F181-M204 HydrophobicContact CD1-CB 3.67Å; F181-M204 HydrophobicContact CD2-CE 4.29Å; F181-M204 HydrophobicContact CD2-SD 4.38Å; F181-M204 HydrophobicContact CE1-CB 4.12Å; F181-M204 HydrophobicContact CE2-CE 4.19Å; F181-M204 HydrophobicContact CG-CB 3.97Å; F181-M204 HydrophobicContact CG-SD 4.43Å; F181-M204 HydrophobicContact CZ-CE 4.45Å; F181-K206 HydrophobicContact CD1-CB 3.92Å; F181-K206 HydrophobicContact CD1-CD 3.8Å; F181-K206 HydrophobicContact CD1-CG 3.64Å; F181-K206 HydrophobicContact CD2-CD 4.31Å; F181-K206 HydrophobicContact CE1-CB 4.34Å; F181-K206 HydrophobicContact CE1-CD 3.89Å; F181-K206 HydrophobicContact CE1-CG 3.61Å; F181-K206 HydrophobicContact CE2-CD 4.36Å; F181-K206 HydrophobicContact CG-CD 4.03Å; F181-K206 HydrophobicContact CG-CG 4.35Å; F181-K206 HydrophobicContact CZ-CD 4.16Å; F181-K206 HydrophobicContact CZ-CG 4.28Å; F181-L225 HydrophobicContact CZ-CD1 4.42Å; F181-V273 HydrophobicContact CE1-CG1 4.24Å; F181-V273 HydrophobicContact CZ-CG1 4.24Å; F181-L275 HydrophobicContact CZ-CB 4.3Å; F181-L275 HydrophobicContact CZ-CD2 4.24Å; F181-E329 HydrophobicContact CB-CB 3.96Å; F181-E329 HydrophobicContact CB-CG 3.81Å; F181-E329 PolarHBondContact N-O 3.24Å; F181-E329 WeakPolarHBondContact O-CB 3.3Å
182D93Very high93.8Very high71 Ų7160.5 Ų60.538%0.3829%0.285SS..PPolyproline II helixtrans-82.8127.9171.7-162.1-27.8000109.5E184 N185D182-E184 PolarHBondContact O-N 2.9Å; D182-E184 PolarHBondContact OD1-N 3.26Å; D182-N185 HydrophobicContact CB-CB 4.31Å; D182-N185 WeakPolarHBondContact CB-ND2 3.3Å; D182-N185 PolarHBondContact O-N 3.45Å; D182-N185 VanDerWaalsContact O-N 3.08Å
183K94.6Very high94.1Very high110 Ų11061.3 Ų61.348%0.47829%0.291SS..G310 helixtrans-62.4-29.1177.5-70-179.6-177.7177.60111.4N185 T186 E329 E330K183-N185 PolarHBondContact O-N 3.1Å; K183-T186 WeakPolarHBondContact O-CB 3.32Å; K183-T186 PolarHBondContact O-N 2.92Å; K183-E329 HydrophobicContact CB-CG 4.37Å; K183-E329 HydrophobicContact CG-CB 3.89Å; K183-E329 HydrophobicContact CG-CG 3.62Å; K183-E330 WeakPolarHBondContact CE-OE1 3.38Å; K183-E330 IonicContact NZ-OE1 3.5Å; K183-E330 PolarHBondContact NZ-OE1 3.37Å
184E95Very high94.3Very high172 Ų17264.2 Ų64.280%0.80431%0.311SS*.G310 helixtrans-69.8-22.6177.5-61.7-173.2177.600112.7D182 T186D182-E184 PolarHBondContact O-N 2.9Å; D182-E184 PolarHBondContact OD1-N 3.26Å; E184-T186 VanDerWaalsContact C-N 3.33Å
185N95.6Very high94.3Very high73 Ų7370.8 Ų70.839%0.3934%0.341SS..G310 helixtrans-90.53.8177.1-66.6-29.2000113.1D182 K183 F205D182-N185 HydrophobicContact CB-CB 4.31Å; D182-N185 WeakPolarHBondContact CB-ND2 3.3Å; D182-N185 PolarHBondContact O-N 3.45Å; D182-N185 VanDerWaalsContact O-N 3.08Å; K183-N185 PolarHBondContact O-N 3.1Å; N185-F205 HydrophobicContact CB-CB 4.33Å; N185-F205 HydrophobicContact CB-CD1 4.37Å; N185-F205 WeakPolarHBondContact O-CB 3.4Å
186T97.8Very high94.3Very high19 Ų1978.3 Ų78.312%0.11738%0.381CS..  trans-87.1124178.4-57.90000110.1K183 E184 Q202 M203 M204 E329K183-T186 WeakPolarHBondContact O-CB 3.32Å; K183-T186 PolarHBondContact O-N 2.92Å; E184-T186 VanDerWaalsContact C-N 3.33Å; T186-Q202 HydrophobicContact CG2-CB 4.02Å; T186-M203 WeakPolarHBondContact CA-O 3.47Å; T186-M204 HydrophobicContact CG2-CG 4.43Å; T186-E329 PolarHBondContact OG1-OE1 3.03Å
187E97.7Very high94.3Very high105 Ų10580.4 Ų80.449%0.49139%0.39SS..EExtended strand (participates in β ladder)trans-130.1153-175.1-63.3178152.500110.8R189 M203E187-R189 PolarHBondContact O-N 3.25Å; E187-R189 IonicContact OE2-CZ 2.67Å; E187-R189 IonicContact OE2-NE 2.85Å; E187-R189 IonicContact OE2-NH2 2.74Å; E187-R189 PolarHBondContact OE2-NH2 2.74Å; E187-M203 PolarHBondContact N-O 3.46Å; E187-M203 VanDerWaalsContact N-O 3.1Å; E187-M203 PolarHBondContact O-N 3.31Å
188E98.4Very high94.4Very high138 Ų13885.5 Ų85.565%0.64541%0.413SS*.EExtended strand (participates in β ladder)trans-68.1123.2168.5-171.3174.196.900109.9P200 V201E188-P200 HydrophobicContact CG-CB 3.78Å; E188-V201 CarbonylContact C-O 3.54Å; E188-V201 WeakPolarHBondContact CA-O 3.29Å
189R97.9Very high94.5Very high87 Ų8785.7 Ų85.733%0.32841%0.412SS..EExtended strand (participates in β ladder)trans-134.2163.8174-61.8-165.7-178.9172.71.7110.8E187 P200 V201 M203E187-R189 PolarHBondContact O-N 3.25Å; E187-R189 IonicContact OE2-CZ 2.67Å; E187-R189 IonicContact OE2-NE 2.85Å; E187-R189 IonicContact OE2-NH2 2.74Å; E187-R189 PolarHBondContact OE2-NH2 2.74Å; R189-P200 CarbonylContact O-C 3.53Å; R189-P200 WeakPolarHBondContact O-CA 3.39Å; R189-V201 PolarHBondContact N-O 3.13Å; R189-V201 WeakPolarHBondContact O-CG2 3.49Å; R189-V201 PolarHBondContact O-N 2.82Å; R189-M203 HydrophobicContact CB-CB 3.86Å; R189-M203 HydrophobicContact CB-CG 4.45Å; R189-M203 HydrophobicContact CG-CB 3.86Å; R189-M203 HydrophobicContact CG-CG 4.41Å
190L97.6Very high94.8Very high97 Ų9785.4 Ų85.451%0.50842%0.417SS..EExtended strand (participates in β ladder)trans-84134.6178.4-62.4172.8000110.4E198L190-E198 HydrophobicContact CB-CB 4.46Å; L190-E198 WeakPolarHBondContact CD1-OE2 3.48Å
191F97.8Very high95Very high0 Ų082.8 Ų82.80%041%0.405CS..EExtended strand (participates in β ladder)trans-109.1121.4170.9-172.6-83.3000109.4V193 E198 K199 V201 P276 A355 D356 H357 P358 F359 F377 P380F191-V193 HydrophobicContact CD1-CG2 3.97Å; F191-V193 HydrophobicContact CE1-CG2 4.49Å; F191-V193 PolarHBondContact O-N 3.32Å; F191-V193 VanDerWaalsContact O-N 3.09Å; F191-E198 CarbonylContact O-C 3.58Å; F191-E198 VanDerWaalsContact O-CA 3.24Å; F191-E198 WeakPolarHBondContact O-CA 3.44Å; F191-K199 PolarHBondContact N-O 3.14Å; F191-K199 PolarHBondContact O-N 3.5Å; F191-V201 HydrophobicContact CB-CB 4.49Å; F191-V201 HydrophobicContact CB-CG1 3.62Å; F191-V201 HydrophobicContact CB-CG2 3.98Å; F191-V201 HydrophobicContact CG-CG1 4.33Å; F191-P276 HydrophobicContact CD2-CG 4.43Å; F191-P276 HydrophobicContact CE2-CG 4.32Å; F191-A355 WeakPolarHBondContact CE2-O 3.34Å; F191-D356 CarbonylContact C-O 3.53Å; F191-D356 VanDerWaalsContact CA-O 3.28Å; F191-D356 WeakPolarHBondContact CA-O 3.35Å; F191-D356 VanDerWaalsContact CD2-C 3.44Å; F191-H357 WeakPolarHBondContact CZ-O 3.29Å; F191-P358 HydrophobicContact CE1-CG 4.36Å; F191-F359 HydrophobicContact CE2-CD1 4.44Å; F191-F359 HydrophobicContact CE2-CE1 4.13Å; F191-F377 HydrophobicContact CD2-CE1 4.16Å; F191-F377 HydrophobicContact CE1-CE1 4.41Å; F191-F377 AromaticContact CE2-CD1 3.74Å; F191-F377 HydrophobicContact CE2-CD1 3.74Å; F191-F377 AromaticContact CE2-CE1 3.65Å; F191-F377 HydrophobicContact CE2-CE1 3.65Å; F191-F377 AromaticContact CZ-CD1 3.63Å; F191-F377 HydrophobicContact CZ-CD1 3.63Å; F191-F377 AromaticContact CZ-CE1 3.78Å; F191-F377 HydrophobicContact CZ-CE1 3.78Å; F191-P380 HydrophobicContact CB-CG 4.32Å; F191-P380 HydrophobicContact CD1-CG 4.32Å; F191-P380 HydrophobicContact CG-CG 4.43Å
192K95.8Very high95.2Very high56 Ų5686.2 Ų86.224%0.24342%0.422CS..EExtended strand (participates in β ladder)trans-80.883.8-176.9-55.2167.7-175.6170.40110.3S194 E198 E241 D356 H357 P358K192-S194 VanDerWaalsContact C-N 3.27Å; K192-S194 PolarHBondContact O-N 3.07Å; K192-E198 HydrophobicContact CG-CG 4.23Å; K192-E241 IonicContact NZ-OE1 3Å; K192-E241 PolarHBondContact NZ-OE1 3.34Å; K192-E241 IonicContact NZ-OE2 3.26Å; K192-E241 PolarHBondContact NZ-OE2 3.4Å; K192-D356 PolarHBondContact N-O 3.05Å; K192-D356 IonicContact NZ-OD2 3.1Å; K192-H357 HydrophobicContact CB-CB 4.04Å; K192-P358 WeakPolarHBondContact O-CD 3.35Å
193V93.1Very high95.4Very high22 Ų2282.8 Ų82.813%0.13340%0.403CS..EExtended strand (participates in β ladder)trans-59.5-40.5177.7178.30000111F191 E197 K199F191-V193 HydrophobicContact CD1-CG2 3.97Å; F191-V193 HydrophobicContact CE1-CG2 4.49Å; F191-V193 PolarHBondContact O-N 3.32Å; F191-V193 VanDerWaalsContact O-N 3.09Å; V193-E197 HydrophobicContact CB-CB 4.3Å; V193-E197 HydrophobicContact CB-CG 4.16Å; V193-E197 PolarHBondContact N-O 2.74Å; V193-K199 HydrophobicContact CG2-CB 4.33Å; V193-K199 HydrophobicContact CG2-CD 3.97Å; V193-K199 HydrophobicContact CG2-CG 3.96Å
194S88.9Confident95.6Very high60 Ų6077.6 Ų77.642%0.4238%0.381SS..EExtended strand (participates in β ladder)trans-153178.4174.877.10000110.9K192 N196 E197K192-S194 VanDerWaalsContact C-N 3.27Å; K192-S194 PolarHBondContact O-N 3.07Å; S194-N196 PolarHBondContact O-N 3.41Å; S194-N196 PolarHBondContact OG-N 2.82Å; S194-E197 PolarHBondContact N-O 2.86Å; S194-E197 VanDerWaalsContact N-O 3.07Å; S194-E197 PolarHBondContact O-N 3.37Å; S194-E197 WeakPolarHBondContact OG-CB 3.31Å; S194-E197 PolarHBondContact OG-N 2.83Å
195K85.1Confident95.7Very high214 Ų21471.7 Ų71.793%0.9335%0.352SS*.THydrogen-bonded Turntrans-54.5-24.2176.4-69.2-172.9177.1-177.30114.3
196N89.4Confident95.7Very high162 Ų16269 Ų6987%0.86634%0.338SS*.THydrogen-bonded Turntrans-121.42-174.4-58.6-30.6000112.9S194S194-N196 PolarHBondContact O-N 3.41Å; S194-N196 PolarHBondContact OG-N 2.82Å
197E93.9Very high95.5Very high85 Ų8572.4 Ų72.440%0.39735%0.352SS..EExtended strand (participates in β ladder)trans-135.1121.9-174.5-173.3-179.5-17800110V193 S194 K199V193-E197 HydrophobicContact CB-CB 4.3Å; V193-E197 HydrophobicContact CB-CG 4.16Å; V193-E197 PolarHBondContact N-O 2.74Å; S194-E197 PolarHBondContact N-O 2.86Å; S194-E197 VanDerWaalsContact N-O 3.07Å; S194-E197 PolarHBondContact O-N 3.37Å; S194-E197 WeakPolarHBondContact OG-CB 3.31Å; S194-E197 PolarHBondContact OG-N 2.83Å; E197-K199 WeakPolarHBondContact OE1-CE 3.35Å; E197-K199 IonicContact OE1-NZ 3.5Å
198E96Very high95.3Very high109 Ų10968.7 Ų68.751%0.50934%0.337SS..EExtended strand (participates in β ladder)trans-124.1142.7173-62.1-178167.400108.8L190 F191 K192L190-E198 HydrophobicContact CB-CB 4.46Å; L190-E198 WeakPolarHBondContact CD1-OE2 3.48Å; F191-E198 CarbonylContact O-C 3.58Å; F191-E198 VanDerWaalsContact O-CA 3.24Å; F191-E198 WeakPolarHBondContact O-CA 3.44Å; K192-E198 HydrophobicContact CG-CG 4.23Å
199K96.7Very high95.1Very high62 Ų6265.4 Ų65.427%0.2733%0.327SS..EExtended strand (participates in β ladder)trans-128.7141.4178.2-67.8-174.6-174171.70110.9F191 V193 E197 S379 P380F191-K199 PolarHBondContact N-O 3.14Å; F191-K199 PolarHBondContact O-N 3.5Å; V193-K199 HydrophobicContact CG2-CB 4.33Å; V193-K199 HydrophobicContact CG2-CD 3.97Å; V193-K199 HydrophobicContact CG2-CG 3.96Å; E197-K199 WeakPolarHBondContact OE1-CE 3.35Å; E197-K199 IonicContact OE1-NZ 3.5Å; K199-S379 PolarHBondContact NZ-OG 2.69Å; K199-P380 HydrophobicContact CB-CG 3.8Å; K199-P380 HydrophobicContact CD-CG 4.07Å
200P97.7Very high95Very high79 Ų7961.6 Ų61.651%0.51331%0.313SS..EExtended strand (participates in β ladder)trans-67.2137.7172.928.9-33.5000110.6E188 R189E188-P200 HydrophobicContact CG-CB 3.78Å; R189-P200 CarbonylContact O-C 3.53Å; R189-P200 WeakPolarHBondContact O-CA 3.39Å
201V98.1Very high95Very high10 Ų1059.6 Ų59.66%0.06130%0.3CS..EExtended strand (participates in β ladder)trans-134.9152.1174.5-59.80000110.1E188 R189 F191 M203 P276 P380E188-V201 CarbonylContact C-O 3.54Å; E188-V201 WeakPolarHBondContact CA-O 3.29Å; R189-V201 PolarHBondContact N-O 3.13Å; R189-V201 WeakPolarHBondContact O-CG2 3.49Å; R189-V201 PolarHBondContact O-N 2.82Å; F191-V201 HydrophobicContact CB-CB 4.49Å; F191-V201 HydrophobicContact CB-CG1 3.62Å; F191-V201 HydrophobicContact CB-CG2 3.98Å; F191-V201 HydrophobicContact CG-CG1 4.33Å; V201-M203 HydrophobicContact CG2-CE 3.83Å; V201-M203 PolarHBondContact O-N 3.45Å; V201-P276 HydrophobicContact CB-CB 4.35Å; V201-P276 HydrophobicContact CG2-CB 4.15Å; V201-P380 HydrophobicContact CG1-CB 3.25Å; V201-P380 HydrophobicContact CG1-CG 3.37Å
202Q98.3Very high94.9Very high79 Ų7960.7 Ų60.737%0.36931%0.305SS..EExtended strand (participates in β ladder)trans-76.7104.2166.7-65.2-61.6-54.100108.2T186 R277T186-Q202 HydrophobicContact CG2-CB 4.02Å; Q202-R277 HydrophobicContact CB-CB 4.27Å; Q202-R277 HydrophobicContact CB-CG 4.18Å; Q202-R277 PolarHBondContact O-N 3.2Å
203M98.4Very high94.9Very high0 Ų059.5 Ų59.50%030%0.302CS..EExtended strand (participates in β ladder)trans-94.4111.8-177.4-170.970.270.500109.6T186 E187 R189 V201 L275 P276 D356T186-M203 WeakPolarHBondContact CA-O 3.47Å; E187-M203 PolarHBondContact N-O 3.46Å; E187-M203 VanDerWaalsContact N-O 3.1Å; E187-M203 PolarHBondContact O-N 3.31Å; R189-M203 HydrophobicContact CB-CB 3.86Å; R189-M203 HydrophobicContact CB-CG 4.45Å; R189-M203 HydrophobicContact CG-CB 3.86Å; R189-M203 HydrophobicContact CG-CG 4.41Å; V201-M203 HydrophobicContact CG2-CE 3.83Å; V201-M203 PolarHBondContact O-N 3.45Å; M203-L275 PolarHBondContact SD-N 3.26Å; M203-L275 VanDerWaalsContact SD-N 3.42Å; M203-P276 HydrophobicContact SD-CB 4.47Å; M203-P276 VanDerWaalsContact SD-CD 3.59Å; M203-P276 VanDerWaalsContact SD-N 3.36Å; M203-D356 HydrophobicContact CE-CB 3.99Å
204M98.3Very high95.1Very high0 Ų063.4 Ų63.40%032%0.315CS..EExtended strand (participates in β ladder)trans-72.8146.2174-48.6-176.1-67.900109.4F181 T186 S274 L275 R277 V327 E329F181-M204 HydrophobicContact CB-CB 4.25Å; F181-M204 HydrophobicContact CD1-CB 3.67Å; F181-M204 HydrophobicContact CD2-CE 4.29Å; F181-M204 HydrophobicContact CD2-SD 4.38Å; F181-M204 HydrophobicContact CE1-CB 4.12Å; F181-M204 HydrophobicContact CE2-CE 4.19Å; F181-M204 HydrophobicContact CG-CB 3.97Å; F181-M204 HydrophobicContact CG-SD 4.43Å; F181-M204 HydrophobicContact CZ-CE 4.45Å; T186-M204 HydrophobicContact CG2-CG 4.43Å; M204-S274 VanDerWaalsContact O-CA 3.27Å; M204-S274 WeakPolarHBondContact O-CA 3.32Å; M204-L275 VanDerWaalsContact CB-O 3.3Å; M204-L275 WeakPolarHBondContact CB-O 3.39Å; M204-L275 HydrophobicContact CE-CB 4.07Å; M204-L275 HydrophobicContact CE-CD2 3.81Å; M204-L275 HydrophobicContact CE-CG 3.88Å; M204-L275 WeakPolarHBondContact CG-O 3.47Å; M204-L275 PolarHBondContact N-O 3.28Å; M204-L275 PolarHBondContact O-N 3.44Å; M204-R277 HydrophobicContact CG-CG 3.68Å; M204-R277 HydrophobicContact SD-CG 3.85Å; M204-V327 HydrophobicContact CE-CG1 3.93Å; M204-E329 HydrophobicContact CG-CG 4.43Å; M204-E329 WeakPolarHBondContact CG-OE1 3.39Å; M204-E329 HydrophobicContact SD-CG 4.12Å; M204-E329 PolarHBondContact SD-N 3.05Å
205F97.6Very high95.5Very high48 Ų4861.5 Ų61.521%0.21130%0.3CS..EExtended strand (participates in β ladder)trans-136.2138.5179.6177.6-95.3000112.1N185 E272 V273N185-F205 HydrophobicContact CB-CB 4.33Å; N185-F205 HydrophobicContact CB-CD1 4.37Å; N185-F205 WeakPolarHBondContact O-CB 3.4Å; F205-E272 HydrophobicContact CE2-CB 3.98Å; F205-E272 HydrophobicContact CE2-CG 4.24Å; F205-E272 HydrophobicContact CZ-CB 4.25Å; F205-E272 HydrophobicContact CZ-CG 4.03Å; F205-V273 WeakPolarHBondContact CA-O 3.28Å
206K94.5Very high96Very high18 Ų1853.4 Ų53.48%0.07828%0.278CS..EExtended strand (participates in β ladder)trans-153.7156.9164.469.3-178.6173.81680111.2E179 F181 F210 V273E179-K206 PolarHBondContact O-NZ 3.47Å; F181-K206 HydrophobicContact CD1-CB 3.92Å; F181-K206 HydrophobicContact CD1-CD 3.8Å; F181-K206 HydrophobicContact CD1-CG 3.64Å; F181-K206 HydrophobicContact CD2-CD 4.31Å; F181-K206 HydrophobicContact CE1-CB 4.34Å; F181-K206 HydrophobicContact CE1-CD 3.89Å; F181-K206 HydrophobicContact CE1-CG 3.61Å; F181-K206 HydrophobicContact CE2-CD 4.36Å; F181-K206 HydrophobicContact CG-CD 4.03Å; F181-K206 HydrophobicContact CG-CG 4.35Å; F181-K206 HydrophobicContact CZ-CD 4.16Å; F181-K206 HydrophobicContact CZ-CG 4.28Å; K206-F210 HydrophobicContact CD-CE2 4.36Å; K206-F210 HydrophobicContact CD-CZ 4.12Å; K206-F210 HydrophobicContact CG-CE2 4.44Å; K206-V273 PolarHBondContact N-O 2.94Å; K206-V273 VanDerWaalsContact N-O 3.09Å; K206-V273 PolarHBondContact O-N 3.42Å
207Q94.1Very high96.2Very high89 Ų8951.1 Ų51.142%0.41626%0.262SS..EExtended strand (participates in β ladder)trans-115.2118.8168.7179.6-179.9-28.200108E270 V271 E272 V350Q207-E270 HydrophobicContact CG-CG 3.94Å; Q207-E270 VanDerWaalsContact NE2-CD 3.25Å; Q207-E270 PolarHBondContact NE2-OE1 3.07Å; Q207-V271 WeakPolarHBondContact CA-O 3.48Å; Q207-E272 HydrophobicContact CB-CG 4.37Å; Q207-E272 HydrophobicContact CG-CG 4.29Å; Q207-V350 HydrophobicContact CG-CG1 4.4Å
208S93.6Very high96.2Very high27 Ų2747.1 Ų47.119%0.18924%0.243CC..EExtended strand (participates in β ladder)trans-159.9179.2175.9-1670000110.4E179 E270 V271E179-S208 VanDerWaalsContact OE2-CB 3.27Å; E179-S208 WeakPolarHBondContact OE2-CB 3.44Å; E179-S208 PolarHBondContact OE2-OG 2.95Å; S208-E270 WeakPolarHBondContact O-CA 3.5Å; S208-V271 PolarHBondContact N-O 3.33Å; S208-V271 PolarHBondContact O-N 3.49Å
209T94.3Very high96.3Very high69 Ų6947.2 Ų47.242%0.42324%0.242SC..EExtended strand (participates in β ladder)trans-84.3120.9178.9-61.20000111E268 E269T209-E268 HydrophobicContact CG2-CG 3.49Å; T209-E268 VanDerWaalsContact CG2-CG 3.49Å; T209-E269 CarbonylContact C-O 3.59Å; T209-E269 VanDerWaalsContact CA-O 3.26Å; T209-E269 WeakPolarHBondContact CA-O 3.31Å
210F95.6Very high96.4Very high7 Ų744.2 Ų44.23%0.03123%0.229CC..EExtended strand (participates in β ladder)trans-133.7161177-64.8-67000111.4K206 L223 L225 E269 V273K206-F210 HydrophobicContact CD-CE2 4.36Å; K206-F210 HydrophobicContact CD-CZ 4.12Å; K206-F210 HydrophobicContact CG-CE2 4.44Å; F210-L223 HydrophobicContact CB-CD1 3.64Å; F210-L223 HydrophobicContact CG-CD1 4.25Å; F210-L225 HydrophobicContact CD1-CD2 3.8Å; F210-L225 HydrophobicContact CD2-CD2 4.41Å; F210-L225 HydrophobicContact CE1-CD2 3.83Å; F210-L225 HydrophobicContact CE2-CD2 4.41Å; F210-L225 HydrophobicContact CG-CD2 4.16Å; F210-L225 HydrophobicContact CZ-CD2 4.18Å; F210-E269 PolarHBondContact N-O 2.87Å; F210-E269 PolarHBondContact O-N 3.4Å; F210-E269 VanDerWaalsContact O-N 3.16Å; F210-V273 HydrophobicContact CD2-CG2 3.72Å; F210-V273 HydrophobicContact CE2-CG2 3.95Å
211K96.9Very high96.4Very high56 Ų5642.4 Ų42.424%0.24321%0.214CC..EExtended strand (participates in β ladder)trans-79.4125.6167.9-66.7-169173.4-150.70109.8V224 L263 M266 D267 E268K211-V224 HydrophobicContact CB-CB 4.2Å; K211-V224 HydrophobicContact CB-CG2 4.42Å; K211-V224 PolarHBondContact O-N 2.93Å; K211-L263 HydrophobicContact CD-CB 4.07Å; K211-L263 HydrophobicContact CD-CD2 4.17Å; K211-L263 PolarHBondContact NZ-O 3.5Å; K211-M266 HydrophobicContact CB-CB 4.05Å; K211-M266 HydrophobicContact CB-CE 4.38Å; K211-M266 HydrophobicContact CB-SD 4.35Å; K211-D267 CarbonylContact C-O 3.59Å; K211-D267 VanDerWaalsContact CA-O 3.29Å; K211-D267 WeakPolarHBondContact CA-O 3.27Å; K211-E268 HydrophobicContact CG-CB 4.35Å; K211-E268 HydrophobicContact CG-CG 4.5Å
212K96.2Very high96.4Very high23 Ų2341.9 Ų41.910%0.121%0.211CC..EExtended strand (participates in β ladder)trans-136.1150.5179.8-176-177.8176.2-177.70110.7I222 L223 D267 V271 R352K212-I222 CarbonylContact C-O 3.59Å; K212-I222 VanDerWaalsContact CA-O 3.24Å; K212-I222 WeakPolarHBondContact CA-O 3.47Å; K212-L223 HydrophobicContact CB-CD1 4.47Å; K212-D267 PolarHBondContact N-O 3.08Å; K212-D267 PolarHBondContact O-N 3.1Å; K212-V271 HydrophobicContact CD-CG2 4.21Å; K212-R352 PolarHBondContact NZ-O 2.94Å
213T96.9Very high96.4Very high30 Ų3038.1 Ų38.118%0.18419%0.193CC..EExtended strand (participates in β ladder)trans-148.2168.9165.1-165.80000110.7I215 I222 M266T213-I215 HydrophobicContact CG2-CD1 3.92Å; T213-I222 HydrophobicContact CG2-CB 4.03Å; T213-I222 HydrophobicContact CG2-CD1 4.39Å; T213-I222 HydrophobicContact CG2-CG1 4.47Å; T213-I222 PolarHBondContact N-O 3.47Å; T213-I222 PolarHBondContact O-N 2.81Å; T213-M266 HydrophobicContact CG2-CE 3.93Å; T213-M266 HydrophobicContact CG2-CG 4.21Å
214Y96.9Very high96.4Very high104 Ų10438.5 Ų38.541%0.40820%0.195SC..EExtended strand (participates in β ladder)trans-126.3123.3173.1-177.7-99.1000110.3F219 T220 Q221 D240Y214-F219 VanDerWaalsContact OH-CA 3.3Å; Y214-F219 WeakPolarHBondContact OH-CA 3.33Å; Y214-F219 WeakPolarHBondContact OH-CD1 3.35Å; Y214-T220 WeakPolarHBondContact CA-O 3.37Å; Y214-Q221 HydrophobicContact CD2-CG 3.68Å; Y214-Q221 HydrophobicContact CE2-CG 4.24Å; Y214-D240 PolarHBondContact OH-OD2 2.87Å
215I97Very high96.3Very high20 Ų2038.5 Ų38.510%0.10320%0.195CC..EExtended strand (participates in β ladder)trans-96.6100.4179.2-51.5-54.4000108.7T213 E217 I218 F219 T220 I222 W260T213-I215 HydrophobicContact CG2-CD1 3.92Å; I215-E217 HydrophobicContact CG2-CB 4.21Å; I215-E217 PolarHBondContact O-N 3.49Å; I215-I218 HydrophobicContact CB-CD1 4.36Å; I215-I218 HydrophobicContact CB-CG1 3.87Å; I215-I218 HydrophobicContact CG2-CD1 4.31Å; I215-I218 HydrophobicContact CG2-CG1 3.65Å; I215-I218 PolarHBondContact O-N 3.27Å; I215-F219 WeakPolarHBondContact O-CA 3.47Å; I215-F219 PolarHBondContact O-N 2.82Å; I215-T220 PolarHBondContact N-O 3.04Å; I215-T220 PolarHBondContact O-N 3.24Å; I215-I222 HydrophobicContact CD1-CD1 4.29Å; I215-I222 HydrophobicContact CG1-CD1 3.63Å; I215-I222 HydrophobicContact CG1-CG1 4.27Å; I215-W260 HydrophobicContact CD1-CB 3.86Å; I215-W260 HydrophobicContact CD1-CG 3.78Å; I215-W260 HydrophobicContact CG1-CB 4.03Å; I215-W260 HydrophobicContact CG1-CD2 4.21Å; I215-W260 HydrophobicContact CG1-CG 3.85Å; I215-W260 HydrophobicContact CG2-CD2 4.05Å; I215-W260 HydrophobicContact CG2-CG 4.27Å; I215-W260 HydrophobicContact CG2-CZ2 4.02Å
216G94.9Very high96.3Very high45 Ų4537.4 Ų37.446%0.46419%0.193SC..THydrogen-bonded Turntrans-63.9-23.5-178.700000114.5I218G216-I218 VanDerWaalsContact C-N 3.27Å; G216-I218 PolarHBondContact O-N 2.95Å
217E93.8Very high96.3Very high114 Ų11436.7 Ų36.753%0.53319%0.19SC..THydrogen-bonded Turntrans-63.3-34.2177.5-172-177.1172.100112.4I215 K256I215-E217 HydrophobicContact CG2-CB 4.21Å; I215-E217 PolarHBondContact O-N 3.49Å; E217-K256 WeakPolarHBondContact OE1-CE 3.38Å; E217-K256 IonicContact OE1-NZ 3.53Å; E217-K256 PolarHBondContact OE1-NZ 3.33Å; E217-K256 IonicContact OE2-NZ 2.73Å
218I95.4Very high96.3Very high1 Ų134.7 Ų34.71%0.00518%0.184CC..THydrogen-bonded Turntrans-12312.6-176.355.7158.8000112.3I215 G216 T220 V248 E251 W260I215-I218 HydrophobicContact CB-CD1 4.36Å; I215-I218 HydrophobicContact CB-CG1 3.87Å; I215-I218 HydrophobicContact CG2-CD1 4.31Å; I215-I218 HydrophobicContact CG2-CG1 3.65Å; I215-I218 PolarHBondContact O-N 3.27Å; G216-I218 VanDerWaalsContact C-N 3.27Å; G216-I218 PolarHBondContact O-N 2.95Å; I218-T220 VanDerWaalsContact C-N 3.33Å; I218-T220 HydrophobicContact CD1-CG2 4.08Å; I218-T220 PolarHBondContact O-N 2.78Å; I218-T220 PolarHBondContact O-OG1 3.47Å; I218-V248 HydrophobicContact CB-CG2 4.29Å; I218-V248 HydrophobicContact CD1-CB 4.39Å; I218-V248 HydrophobicContact CD1-CG1 3.76Å; I218-V248 HydrophobicContact CD1-CG2 4.14Å; I218-E251 HydrophobicContact CG2-CB 3.92Å; I218-E251 HydrophobicContact CG2-CG 4.19Å; I218-W260 HydrophobicContact CD1-CE3 4.01Å; I218-W260 HydrophobicContact CD1-CH2 3.79Å; I218-W260 HydrophobicContact CD1-CZ3 3.5Å; I218-W260 VanDerWaalsContact CD1-CZ3 3.5Å; I218-W260 HydrophobicContact CG1-CH2 4.18Å; I218-W260 HydrophobicContact CG1-CZ3 4.35Å; I218-W260 HydrophobicContact CG2-CH2 3.98Å
219F96.9Very high96.1Very high110 Ų11035.7 Ų35.748%0.48220%0.199SC..THydrogen-bonded Turntrans45.554.8-179.9-57.7-85.4000112.4Y214 I215 P239 D240 T243Y214-F219 VanDerWaalsContact OH-CA 3.3Å; Y214-F219 WeakPolarHBondContact OH-CA 3.33Å; Y214-F219 WeakPolarHBondContact OH-CD1 3.35Å; I215-F219 WeakPolarHBondContact O-CA 3.47Å; I215-F219 PolarHBondContact O-N 2.82Å; F219-P239 CarbonylContact O-C 3.58Å; F219-P239 WeakPolarHBondContact O-CA 3.44Å; F219-D240 HydrophobicContact CB-CB 4.44Å; F219-D240 PolarHBondContact O-N 2.74Å; F219-T243 WeakPolarHBondContact CB-OG1 3.39Å
220T98.1Very high96Very high0 Ų038.4 Ų38.40%021%0.205CC..EExtended strand (participates in β ladder)trans-133.4129.6-168.2-66.70000111.5Y214 I215 I218 I222 M237 V248Y214-T220 WeakPolarHBondContact CA-O 3.37Å; I215-T220 PolarHBondContact N-O 3.04Å; I215-T220 PolarHBondContact O-N 3.24Å; I218-T220 VanDerWaalsContact C-N 3.33Å; I218-T220 HydrophobicContact CD1-CG2 4.08Å; I218-T220 PolarHBondContact O-N 2.78Å; I218-T220 PolarHBondContact O-OG1 3.47Å; T220-I222 HydrophobicContact CG2-CG1 4.32Å; T220-M237 HydrophobicContact CG2-CB 3.94Å; T220-V248 VanDerWaalsContact OG1-CG2 3.29Å; T220-V248 WeakPolarHBondContact OG1-CG2 3.31Å
221Q97.9Very high95.8Very high40 Ų4041.4 Ų41.419%0.18722%0.219CC..EExtended strand (participates in β ladder)trans-82.8136.9168.7-66.8179.570.600109.9Y214 L238 R352 F353Y214-Q221 HydrophobicContact CD2-CG 3.68Å; Y214-Q221 HydrophobicContact CE2-CG 4.24Å; Q221-L238 PolarHBondContact N-O 3.44Å; Q221-L238 PolarHBondContact O-N 3.4Å; Q221-R352 PolarHBondContact OE1-O 3.28Å; Q221-F353 HydrophobicContact CB-CD2 3.96Å; Q221-F353 HydrophobicContact CB-CE2 3.78Å
222I98.4Very high95.7Very high0 Ų038.8 Ų38.80%021%0.207CC..EExtended strand (participates in β ladder)trans-119126.4174.3-54.9-178.8000108.7K212 T213 I215 T220 I235 I236 M237 W260 M266K212-I222 CarbonylContact C-O 3.59Å; K212-I222 VanDerWaalsContact CA-O 3.24Å; K212-I222 WeakPolarHBondContact CA-O 3.47Å; T213-I222 HydrophobicContact CG2-CB 4.03Å; T213-I222 HydrophobicContact CG2-CD1 4.39Å; T213-I222 HydrophobicContact CG2-CG1 4.47Å; T213-I222 PolarHBondContact N-O 3.47Å; T213-I222 PolarHBondContact O-N 2.81Å; I215-I222 HydrophobicContact CD1-CD1 4.29Å; I215-I222 HydrophobicContact CG1-CD1 3.63Å; I215-I222 HydrophobicContact CG1-CG1 4.27Å; T220-I222 HydrophobicContact CG2-CG1 4.32Å; I222-I235 HydrophobicContact CG2-CG2 3.65Å; I222-I236 VanDerWaalsContact CA-O 3.27Å; I222-I236 WeakPolarHBondContact CA-O 3.23Å; I222-M237 HydrophobicContact CD1-CE 4.18Å; I222-M237 HydrophobicContact CD1-CG 4.29Å; I222-M237 HydrophobicContact CG1-CG 4.11Å; I222-W260 HydrophobicContact CD1-CB 3.73Å; I222-M266 HydrophobicContact CB-CE 4.37Å; I222-M266 HydrophobicContact CG2-CE 4.08Å
223L98.4Very high95.6Very high0 Ų038 Ų380%020%0.204CC..EExtended strand (participates in β ladder)trans-119.2139.1176.4-178.771.9000110.2F210 K212 L225 I235 I236 V273 F353F210-L223 HydrophobicContact CB-CD1 3.64Å; F210-L223 HydrophobicContact CG-CD1 4.25Å; K212-L223 HydrophobicContact CB-CD1 4.47Å; L223-L225 HydrophobicContact CD2-CD1 4.49Å; L223-L225 HydrophobicContact CD2-CD2 3.98Å; L223-L225 HydrophobicContact CD2-CG 4.16Å; L223-L225 HydrophobicContact CG-CD2 4.32Å; L223-L225 HydrophobicContact CG-CG 4.4Å; L223-I235 WeakPolarHBondContact O-CA 3.42Å; L223-I236 PolarHBondContact N-O 3.32Å; L223-I236 PolarHBondContact O-N 3.42Å; L223-V273 HydrophobicContact CD1-CG2 4.42Å; L223-V273 HydrophobicContact CD2-CB 4.35Å; L223-V273 HydrophobicContact CD2-CG1 3.63Å; L223-V273 HydrophobicContact CD2-CG2 3.73Å; L223-F353 HydrophobicContact CB-CD1 4.16Å; L223-F353 HydrophobicContact CB-CD2 3.75Å; L223-F353 HydrophobicContact CB-CE1 3.99Å; L223-F353 HydrophobicContact CB-CE2 3.56Å; L223-F353 HydrophobicContact CB-CG 4.04Å; L223-F353 HydrophobicContact CB-CZ 3.68Å; L223-F353 HydrophobicContact CD2-CB 4.28Å; L223-F353 HydrophobicContact CD2-CD1 3.52Å; L223-F353 HydrophobicContact CD2-CD2 4.4Å; L223-F353 HydrophobicContact CD2-CE1 3.87Å; L223-F353 HydrophobicContact CD2-CG 3.81Å; L223-F353 HydrophobicContact CD2-CZ 4.43Å; L223-F353 HydrophobicContact CG-CD1 4.44Å; L223-F353 HydrophobicContact CG-CG 4.41Å
224V97.9Very high95.7Very high7 Ų736.6 Ų36.64%0.04220%0.196CC..EExtended strand (participates in β ladder)trans-112.5120.1175.4-175.60000110.2K211 N233 M234 I235 L263 M266K211-V224 HydrophobicContact CB-CB 4.2Å; K211-V224 HydrophobicContact CB-CG2 4.42Å; K211-V224 PolarHBondContact O-N 2.93Å; V224-N233 HydrophobicContact CG1-CB 3.81Å; V224-M234 WeakPolarHBondContact CA-O 3.45Å; V224-I235 HydrophobicContact CG2-CG1 4.37Å; V224-L263 HydrophobicContact CB-CD2 4.37Å; V224-L263 HydrophobicContact CG1-CD2 4Å; V224-L263 HydrophobicContact CG2-CD2 3.84Å; V224-M266 HydrophobicContact CG2-CE 3.68Å; V224-M266 HydrophobicContact CG2-SD 3.7Å
225L97.2Very high95.7Very high0 Ų031.7 Ų31.70%018%0.176CC..EExtended strand (participates in β ladder)trans-109.1108175-63176.8000109.3W177 F181 F210 L223 M234 I236 L275W177-L225 HydrophobicContact CE3-CB 4.18Å; W177-L225 HydrophobicContact CH2-CD1 4.47Å; W177-L225 HydrophobicContact CZ3-CB 3.91Å; F181-L225 HydrophobicContact CZ-CD1 4.42Å; F210-L225 HydrophobicContact CD1-CD2 3.8Å; F210-L225 HydrophobicContact CD2-CD2 4.41Å; F210-L225 HydrophobicContact CE1-CD2 3.83Å; F210-L225 HydrophobicContact CE2-CD2 4.41Å; F210-L225 HydrophobicContact CG-CD2 4.16Å; F210-L225 HydrophobicContact CZ-CD2 4.18Å; L223-L225 HydrophobicContact CD2-CD1 4.49Å; L223-L225 HydrophobicContact CD2-CD2 3.98Å; L223-L225 HydrophobicContact CD2-CG 4.16Å; L223-L225 HydrophobicContact CG-CD2 4.32Å; L223-L225 HydrophobicContact CG-CG 4.4Å; L225-M234 HydrophobicContact CB-CB 4.38Å; L225-M234 PolarHBondContact N-O 3.41Å; L225-M234 PolarHBondContact O-N 3.49Å; L225-I236 HydrophobicContact CD1-CD1 4Å; L225-L275 HydrophobicContact CD1-CD2 3.84Å
226P96.4Very high95.8Very high26 Ų2630.7 Ų30.717%0.16917%0.171CC..EExtended strand (participates in β ladder)trans-72.8145.417927.5-31.9000112.1D178 K230 N233D178-P226 HydrophobicContact CB-CB 4.09Å; D178-P226 HydrophobicContact CB-CG 3.93Å; D178-P226 WeakPolarHBondContact CB-O 3.48Å; D178-P226 PolarHBondContact N-O 3.46Å; P226-K230 HydrophobicContact CB-CG 4.17Å; P226-N233 WeakPolarHBondContact CA-OD1 3.3Å
227Y95.1Very high96Very high2 Ų228.6 Ų28.61%0.00815%0.149CC..BIsolated β-bridgetrans-87.1163.2163.9-69.4-89.8000110.6F173 G175 N176 W177 G229 K230 L232 M234 T332 I363F173-Y227 AromaticContact CE1-CE1 3.93Å; F173-Y227 HydrophobicContact CE1-CE1 3.93Å; F173-Y227 HydrophobicContact CE1-CE2 4.47Å; F173-Y227 AromaticContact CE1-CZ 3.77Å; F173-Y227 HydrophobicContact CZ-CD1 4.25Å; F173-Y227 AromaticContact CZ-CE1 3.85Å; F173-Y227 HydrophobicContact CZ-CE1 3.85Å; F173-Y227 HydrophobicContact CZ-CE2 4.26Å; F173-Y227 AromaticContact CZ-CZ 3.85Å; G175-Y227 WeakPolarHBondContact O-CD1 3.5Å; G175-Y227 VanDerWaalsContact O-CE1 3.27Å; G175-Y227 WeakPolarHBondContact O-CE1 3.3Å; N176-Y227 CarbonylContact O-C 3.48Å; N176-Y227 WeakPolarHBondContact O-CA 3.42Å; N176-Y227 WeakPolarHBondContact O-CB 3.48Å; N176-Y227 VanDerWaalsContact O-CD1 3.27Å; N176-Y227 WeakPolarHBondContact O-CD1 3.31Å; W177-Y227 HydrophobicContact CE3-CD1 4.07Å; W177-Y227 AromaticContact CE3-CE1 3.88Å; W177-Y227 HydrophobicContact CE3-CE1 3.88Å; W177-Y227 HydrophobicContact CE3-CE2 4.44Å; W177-Y227 HydrophobicContact CE3-CG 4.42Å; W177-Y227 HydrophobicContact CH2-CE1 4.14Å; W177-Y227 HydrophobicContact CH2-CE2 4.4Å; W177-Y227 AromaticContact CH2-CZ 3.77Å; W177-Y227 WeakPolarHBondContact CH2-OH 3.32Å; W177-Y227 HydrophobicContact CZ3-CD1 4.19Å; W177-Y227 HydrophobicContact CZ3-CD2 4.23Å; W177-Y227 AromaticContact CZ3-CE1 3.64Å; W177-Y227 HydrophobicContact CZ3-CE1 3.64Å; W177-Y227 AromaticContact CZ3-CE2 3.7Å; W177-Y227 HydrophobicContact CZ3-CE2 3.7Å; W177-Y227 HydrophobicContact CZ3-CG 4.46Å; W177-Y227 AromaticContact CZ3-CZ 3.37Å; Y227-G229 PolarHBondContact O-N 3.03Å; Y227-K230 WeakPolarHBondContact O-CA 3.4Å; Y227-K230 PolarHBondContact O-N 2.83Å; Y227-L232 HydrophobicContact CD2-CB 3.74Å; Y227-L232 HydrophobicContact CG-CB 4.24Å; Y227-L232 PolarHBondContact N-O 2.93Å; Y227-M234 HydrophobicContact CE2-CB 3.92Å; Y227-M234 WeakPolarHBondContact OH-CE 3.43Å; Y227-T332 PolarHBondContact OH-OG1 2.88Å; Y227-I363 HydrophobicContact CE2-CG2 4.29Å
228V93.4Very high96.2Very high47 Ų4723.3 Ų23.329%0.28513%0.125SC..G310 helixtrans-50133.6177.91770000110.7Q89 N176 W177 K230Q89-V228 HydrophobicContact CB-CB 3.99Å; Q89-V228 HydrophobicContact CB-CG1 3.68Å; Q89-V228 HydrophobicContact CG-CG1 3.85Å; N176-V228 HydrophobicContact CB-CG2 3.81Å; N176-V228 PolarHBondContact O-N 3.05Å; W177-V228 VanDerWaalsContact O-CG2 3.28Å; W177-V228 WeakPolarHBondContact O-CG2 3.43Å; V228-K230 PolarHBondContact O-N 2.83Å
229G90.4Very high96.3Very high49 Ų4923.3 Ų23.351%0.50513%0.125SC..G310 helixtrans79.9-5.3-178.200000114Y227 E231Y227-G229 PolarHBondContact O-N 3.03Å; G229-E231 PolarHBondContact O-N 2.66Å; G229-E231 VanDerWaalsContact O-N 3.11Å
230K91.6Very high96.3Very high126 Ų12620.1 Ų20.155%0.54811%0.113SC..G310 helixtrans55.827.2176.6-54.1-177.8179.9-175.10113.1D178 P226 Y227 V228 S366D178-K230 WeakPolarHBondContact OD2-CE 3.3Å; D178-K230 IonicContact OD2-NZ 2.72Å; P226-K230 HydrophobicContact CB-CG 4.17Å; Y227-K230 WeakPolarHBondContact O-CA 3.4Å; Y227-K230 PolarHBondContact O-N 2.83Å; V228-K230 PolarHBondContact O-N 2.83Å; K230-S366 PolarHBondContact O-OG 2.66Å
231E91.6Very high95.9Very high70 Ų7026.2 Ų26.233%0.32714%0.141SC..SBendtrans-80.6-29.2174.1-64.5-174.7152.300111.4T88 Y90 G229 H365 S366T88-E231 WeakPolarHBondContact CG2-OE2 3.36Å; Y90-E231 HydrophobicContact CD1-CB 4.46Å; Y90-E231 HydrophobicContact CE1-CB 4.03Å; Y90-E231 WeakPolarHBondContact CE1-OE2 3.5Å; G229-E231 PolarHBondContact O-N 2.66Å; G229-E231 VanDerWaalsContact O-N 3.11Å; E231-H365 PolarHBondContact O-CD2 3.26Å; E231-S366 PolarHBondContact O-N 2.84Å; E231-S366 PolarHBondContact O-OG 2.65Å
232L94.1Very high95.5Very high0 Ų030.8 Ų30.80%017%0.172CC..EExtended strand (participates in β ladder)trans-125.7148.2176.3-57.7-178.3000110.2Y90 F173 Y227 I363 Q364 H365 L372Y90-L232 HydrophobicContact CD1-CD1 3.56Å; Y90-L232 HydrophobicContact CD1-CG 3.74Å; Y90-L232 HydrophobicContact CD2-CD1 3.68Å; Y90-L232 HydrophobicContact CE1-CD1 3.88Å; Y90-L232 HydrophobicContact CE1-CD2 4.21Å; Y90-L232 HydrophobicContact CE1-CG 3.77Å; Y90-L232 HydrophobicContact CE2-CD1 4.03Å; Y90-L232 HydrophobicContact CG-CD1 3.45Å; Y90-L232 VanDerWaalsContact CG-CD1 3.45Å; Y90-L232 HydrophobicContact CG-CG 4.18Å; F173-L232 HydrophobicContact CD2-CD1 4.35Å; F173-L232 HydrophobicContact CE2-CD1 3.35Å; F173-L232 HydrophobicContact CZ-CD1 3.82Å; Y227-L232 HydrophobicContact CD2-CB 3.74Å; Y227-L232 HydrophobicContact CG-CB 4.24Å; Y227-L232 PolarHBondContact N-O 2.93Å; L232-I363 HydrophobicContact CB-CG2 4.5Å; L232-I363 HydrophobicContact CD1-CG2 4.42Å; L232-Q364 WeakPolarHBondContact CA-O 3.35Å; L232-H365 HydrophobicContact CD2-CB 3.8Å; L232-L372 HydrophobicContact CD1-CD1 4.38Å; L232-L372 HydrophobicContact CD2-CD1 3.47Å; L232-L372 VanDerWaalsContact CD2-CD1 3.47Å
233N95.6Very high95.1Very high8 Ų832 Ų324%0.04318%0.179CC..EExtended strand (participates in β ladder)trans-127.3137.4171.7-65.2-43.1000109.8V224 P226 I363 Q364 S366V224-N233 HydrophobicContact CG1-CB 3.81Å; P226-N233 WeakPolarHBondContact CA-OD1 3.3Å; N233-I363 WeakPolarHBondContact O-CA 3.27Å; N233-Q364 PolarHBondContact N-O 2.84Å; N233-Q364 PolarHBondContact O-N 2.84Å; N233-S366 PolarHBondContact ND2-OG 3.28Å
234M97.6Very high94.7Very high0 Ų035 Ų350%020%0.196CC..EExtended strand (participates in β ladder)trans-86126.9157.9-177.6173.1-75.800108.8W177 V224 L225 Y227 I236 V327 F361 F362 I363W177-M234 HydrophobicContact CH2-CB 3.84Å; W177-M234 HydrophobicContact CH2-CE 3.87Å; W177-M234 HydrophobicContact CH2-CG 4.34Å; W177-M234 HydrophobicContact CH2-SD 3.64Å; W177-M234 HydrophobicContact CZ2-SD 4.45Å; W177-M234 HydrophobicContact CZ3-CB 3.75Å; V224-M234 WeakPolarHBondContact CA-O 3.45Å; L225-M234 HydrophobicContact CB-CB 4.38Å; L225-M234 PolarHBondContact N-O 3.41Å; L225-M234 PolarHBondContact O-N 3.49Å; Y227-M234 HydrophobicContact CE2-CB 3.92Å; Y227-M234 WeakPolarHBondContact OH-CE 3.43Å; M234-I236 HydrophobicContact CG-CG1 4.09Å; M234-I236 HydrophobicContact SD-CD1 4.31Å; M234-I236 HydrophobicContact SD-CG1 4.27Å; M234-V327 HydrophobicContact CE-CG2 3.86Å; M234-F361 HydrophobicContact CE-CD2 4.07Å; M234-F362 CarbonylContact C-O 3.49Å; M234-F362 VanDerWaalsContact CA-O 3.3Å; M234-F362 WeakPolarHBondContact CA-O 3.5Å; M234-I363 HydrophobicContact CE-CD1 4.28Å; M234-I363 HydrophobicContact CE-CG1 4.22Å
235I98.3Very high94.4Very high0 Ų035.3 Ų35.30%020%0.197CC..EExtended strand (participates in β ladder)trans-111.1126175.9-56.5175.8000107I222 L223 V224 F257 T261 F361 F362 Q364I222-I235 HydrophobicContact CG2-CG2 3.65Å; L223-I235 WeakPolarHBondContact O-CA 3.42Å; V224-I235 HydrophobicContact CG2-CG1 4.37Å; I235-F257 HydrophobicContact CD1-CZ 4.22Å; I235-T261 HydrophobicContact CD1-CG2 3.9Å; I235-T261 HydrophobicContact CG2-CG2 3.87Å; I235-F361 CarbonylContact O-C 3.53Å; I235-F361 WeakPolarHBondContact O-CA 3.43Å; I235-F362 HydrophobicContact CB-CB 4.4Å; I235-F362 PolarHBondContact N-O 2.89Å; I235-F362 PolarHBondContact O-N 3.04Å; I235-Q364 HydrophobicContact CD1-CB 4.17Å
236I98.6Very high94Very high0 Ų041.6 Ų41.60%022%0.221CC..EExtended strand (participates in β ladder)trans-114.3124179-52.5178.3000108.2I222 L223 L225 M234 L275 F353 F359 L360 F361I222-I236 VanDerWaalsContact CA-O 3.27Å; I222-I236 WeakPolarHBondContact CA-O 3.23Å; L223-I236 PolarHBondContact N-O 3.32Å; L223-I236 PolarHBondContact O-N 3.42Å; L225-I236 HydrophobicContact CD1-CD1 4Å; M234-I236 HydrophobicContact CG-CG1 4.09Å; M234-I236 HydrophobicContact SD-CD1 4.31Å; M234-I236 HydrophobicContact SD-CG1 4.27Å; I236-L275 HydrophobicContact CD1-CD1 3.51Å; I236-L275 HydrophobicContact CD1-CD2 4.07Å; I236-L275 HydrophobicContact CD1-CG 4.42Å; I236-F353 HydrophobicContact CB-CE1 4.19Å; I236-F353 HydrophobicContact CB-CZ 3.89Å; I236-F353 HydrophobicContact CD1-CE1 4.43Å; I236-F353 HydrophobicContact CG2-CE1 3.92Å; I236-F353 HydrophobicContact CG2-CZ 3.67Å; I236-F359 HydrophobicContact CG2-CB 4.2Å; I236-F359 HydrophobicContact CG2-CD2 3.71Å; I236-F359 HydrophobicContact CG2-CE2 4.3Å; I236-F359 HydrophobicContact CG2-CG 4.02Å; I236-L360 WeakPolarHBondContact CA-O 3.42Å; I236-F361 HydrophobicContact CG1-CB 4.46Å
237M98.5Very high93.8Very high0 Ų043.6 Ų43.60%023%0.232CC..EExtended strand (participates in β ladder)trans-106.4107.1173.2-56.4-175.4172.800108.5T220 I222 L252 F257 T261 F359 L360 F362T220-M237 HydrophobicContact CG2-CB 3.94Å; I222-M237 HydrophobicContact CD1-CE 4.18Å; I222-M237 HydrophobicContact CD1-CG 4.29Å; I222-M237 HydrophobicContact CG1-CG 4.11Å; M237-L252 HydrophobicContact CE-CD1 4.17Å; M237-L252 HydrophobicContact SD-CD1 4.16Å; M237-L252 HydrophobicContact SD-CD2 4.23Å; M237-F257 HydrophobicContact CE-CD2 3.54Å; M237-F257 HydrophobicContact CE-CE2 3.69Å; M237-T261 HydrophobicContact CE-CG2 3.79Å; M237-F359 WeakPolarHBondContact O-CB 3.48Å; M237-L360 HydrophobicContact CB-CB 4.26Å; M237-L360 PolarHBondContact N-O 2.83Å; M237-L360 PolarHBondContact O-N 3.24Å; M237-F362 HydrophobicContact CE-CD2 4.41Å; M237-F362 HydrophobicContact CE-CE2 4.07Å; M237-F362 HydrophobicContact CG-CE2 4.2Å; M237-F362 HydrophobicContact SD-CE2 3.77Å
238L98.4Very high93.7Very high3 Ų343.5 Ų43.52%0.01623%0.232CC..EExtended strand (participates in β ladder)trans-111.2103.5-176.6-178.370.4000109Q221 F353 C354 A355 H357 F359Q221-L238 PolarHBondContact N-O 3.44Å; Q221-L238 PolarHBondContact O-N 3.4Å; L238-F353 HydrophobicContact CB-CE1 4.4Å; L238-F353 HydrophobicContact CB-CE2 3.81Å; L238-F353 HydrophobicContact CB-CZ 3.56Å; L238-F353 HydrophobicContact CD2-CD1 4.47Å; L238-F353 HydrophobicContact CD2-CD2 4.44Å; L238-F353 HydrophobicContact CD2-CE1 4.16Å; L238-F353 HydrophobicContact CD2-CE2 4.12Å; L238-F353 HydrophobicContact CD2-CZ 3.98Å; L238-F353 HydrophobicContact CG-CZ 4.42Å; L238-C354 VanDerWaalsContact CD2-O 3.24Å; L238-C354 WeakPolarHBondContact CD2-O 3.34Å; L238-A355 HydrophobicContact CD1-CB 4.39Å; L238-H357 WeakPolarHBondContact CD1-NE2 3.49Å; L238-F359 HydrophobicContact CD1-CB 3.86Å; L238-F359 HydrophobicContact CD1-CD1 4.47Å
239P97.5Very high93.8Very high2 Ų241.8 Ų41.81%0.01322%0.221CC..EExtended strand (participates in β ladder)trans-61160.4173.8-10.122.2000111F219 T243 L245 V248 H357F219-P239 CarbonylContact O-C 3.58Å; F219-P239 WeakPolarHBondContact O-CA 3.44Å; P239-T243 HydrophobicContact CB-CG2 3.98Å; P239-L245 HydrophobicContact CG-CB 4.43Å; P239-L245 HydrophobicContact CG-CD1 3.38Å; P239-V248 HydrophobicContact CB-CG2 4.13Å; P239-V248 HydrophobicContact CG-CG2 3.81Å; P239-H357 PolarHBondContact O-NE2 3.11Å
240D96.3Very high93.9Very high42 Ų4246.7 Ų46.723%0.22523%0.228CC..  trans-65.4152.6166.3-66.1-24.2000109.9Y214 F219 T242 T243Y214-D240 PolarHBondContact OH-OD2 2.87Å; F219-D240 HydrophobicContact CB-CB 4.44Å; F219-D240 PolarHBondContact O-N 2.74Å; D240-T242 PolarHBondContact O-N 3.46Å; D240-T243 WeakPolarHBondContact O-CA 3.24Å; D240-T243 WeakPolarHBondContact O-CB 3.5Å; D240-T243 PolarHBondContact O-N 2.95Å
241E90.8Very high94Very high129 Ų12943.8 Ų43.860%0.60322%0.217SC*.THydrogen-bonded Turntrans-55.9-25.3-176-64.9-174.1-157.700114.1K192 T243K192-E241 IonicContact NZ-OE1 3Å; K192-E241 PolarHBondContact NZ-OE1 3.34Å; K192-E241 IonicContact NZ-OE2 3.26Å; K192-E241 PolarHBondContact NZ-OE2 3.4Å; E241-T243 VanDerWaalsContact C-N 3.35Å
242T88.7Confident94.1Very high135 Ų13540.5 Ų40.583%0.82820%0.202SC*.THydrogen-bonded Turntrans-81.3-13.9177.852.70000113.9D240D240-T242 PolarHBondContact O-N 3.46Å
243T91.7Very high94.2Very high25 Ų2543 Ų4315%0.15322%0.217CC..SBendtrans-98.8122-174.3-61.30000110.7F219 P239 D240 E241 L245F219-T243 WeakPolarHBondContact CB-OG1 3.39Å; P239-T243 HydrophobicContact CB-CG2 3.98Å; D240-T243 WeakPolarHBondContact O-CA 3.24Å; D240-T243 WeakPolarHBondContact O-CB 3.5Å; D240-T243 PolarHBondContact O-N 2.95Å; E241-T243 VanDerWaalsContact C-N 3.35Å; T243-L245 PolarHBondContact O-N 3.31Å
244D89.8Confident94.2Very high65 Ų6544.2 Ų44.235%0.34822%0.221SC..  trans-68127.1173.3-174.2-12.2000110.1N27 R246 T247N27-D244 PolarHBondContact ND2-OD1 3.3Å; D244-R246 PolarHBondContact O-N 3.11Å; D244-R246 PolarHBondContact OD1-N 2.82Å; D244-R246 IonicContact OD1-NE 2.7Å; D244-R246 IonicContact OD2-CZ 2.7Å; D244-R246 VanDerWaalsContact OD2-CZ 3.26Å; D244-R246 IonicContact OD2-NE 3.75Å; D244-R246 PolarHBondContact OD2-NE 3.49Å; D244-R246 IonicContact OD2-NH2 2.97Å; D244-R246 PolarHBondContact OD2-NH2 3.47Å; D244-T247 VanDerWaalsContact O-CB 3.24Å; D244-T247 WeakPolarHBondContact O-CB 3.22Å; D244-T247 PolarHBondContact O-N 2.87Å; D244-T247 PolarHBondContact O-OG1 2.88Å
245L91.8Very high94.1Very high12 Ų1248.9 Ų48.96%0.06324%0.243CC..Hα-helixtrans-52.1-29.2177.1-168.165.4000112.8P239 T243 T247 V248 E249 P358 L360 R376P239-L245 HydrophobicContact CG-CB 4.43Å; P239-L245 HydrophobicContact CG-CD1 3.38Å; T243-L245 PolarHBondContact O-N 3.31Å; L245-T247 PolarHBondContact O-N 2.84Å; L245-V248 WeakPolarHBondContact O-CB 3.42Å; L245-V248 PolarHBondContact O-N 3Å; L245-V248 VanDerWaalsContact O-N 3.13Å; L245-E249 PolarHBondContact O-N 3Å; L245-P358 HydrophobicContact CD2-CB 3.85Å; L245-L360 HydrophobicContact CD1-CD2 4.3Å; L245-L360 HydrophobicContact CD1-CG 3.92Å; L245-L360 HydrophobicContact CD2-CD2 4.16Å; L245-L360 HydrophobicContact CG-CD2 4.26Å; L245-L360 HydrophobicContact CG-CG 4.38Å; L245-R376 VanDerWaalsContact CD2-CD 3.43Å; L245-R376 HydrophobicContact CD2-CG 3.72Å
246R88.9Confident93.9Very high132 Ų13250.5 Ų50.550%0.49825%0.25SS..Hα-helixtrans-57-34.3172.2-99174.6-51.6-147.25.1113.9N27 D244 V248 E249 K250N27-R246 WeakPolarHBondContact ND2-CD 3.44Å; N27-R246 WeakPolarHBondContact ND2-CG 3.01Å; N27-R246 PolarHBondContact ND2-NE 2.89Å; N27-R246 WeakPolarHBondContact OD1-CD 3.27Å; N27-R246 VanDerWaalsContact OD1-CG 3.31Å; N27-R246 WeakPolarHBondContact OD1-CG 3.25Å; D244-R246 PolarHBondContact O-N 3.11Å; D244-R246 PolarHBondContact OD1-N 2.82Å; D244-R246 IonicContact OD1-NE 2.7Å; D244-R246 IonicContact OD2-CZ 2.7Å; D244-R246 VanDerWaalsContact OD2-CZ 3.26Å; D244-R246 IonicContact OD2-NE 3.75Å; D244-R246 PolarHBondContact OD2-NE 3.49Å; D244-R246 IonicContact OD2-NH2 2.97Å; D244-R246 PolarHBondContact OD2-NH2 3.47Å; R246-V248 VanDerWaalsContact C-N 3.31Å; R246-E249 PolarHBondContact O-N 2.85Å; R246-K250 VanDerWaalsContact O-CB 3.23Å; R246-K250 WeakPolarHBondContact O-CB 3.38Å; R246-K250 PolarHBondContact O-N 3.42Å
247T91Very high93.8Very high68 Ų6850.6 Ų50.642%0.41725%0.25SS..Hα-helixtrans-64.2-44.7178.9-51.50000109.3D244 L245 K250 E251D244-T247 VanDerWaalsContact O-CB 3.24Å; D244-T247 WeakPolarHBondContact O-CB 3.22Å; D244-T247 PolarHBondContact O-N 2.87Å; D244-T247 PolarHBondContact O-OG1 2.88Å; L245-T247 PolarHBondContact O-N 2.84Å; T247-K250 PolarHBondContact O-N 3.33Å; T247-E251 WeakPolarHBondContact O-CB 3.42Å; T247-E251 WeakPolarHBondContact O-CG 3.5Å; T247-E251 PolarHBondContact O-N 2.94Å; T247-E251 VanDerWaalsContact O-N 3.11Å
248V94.2Very high93.7Very high0 Ų053 Ų530%027%0.265CS..Hα-helixtrans-61.1-52.8174.2-178.10000110.4I218 T220 P239 L245 R246 K250 E251 L252 L360I218-V248 HydrophobicContact CB-CG2 4.29Å; I218-V248 HydrophobicContact CD1-CB 4.39Å; I218-V248 HydrophobicContact CD1-CG1 3.76Å; I218-V248 HydrophobicContact CD1-CG2 4.14Å; T220-V248 VanDerWaalsContact OG1-CG2 3.29Å; T220-V248 WeakPolarHBondContact OG1-CG2 3.31Å; P239-V248 HydrophobicContact CB-CG2 4.13Å; P239-V248 HydrophobicContact CG-CG2 3.81Å; L245-V248 WeakPolarHBondContact O-CB 3.42Å; L245-V248 PolarHBondContact O-N 3Å; L245-V248 VanDerWaalsContact O-N 3.13Å; R246-V248 VanDerWaalsContact C-N 3.31Å; V248-K250 VanDerWaalsContact C-N 3.31Å; V248-K250 PolarHBondContact O-N 2.78Å; V248-E251 PolarHBondContact O-N 2.91Å; V248-L252 VanDerWaalsContact O-CB 3.28Å; V248-L252 WeakPolarHBondContact O-CB 3.07Å; V248-L252 PolarHBondContact O-N 3.44Å; V248-L360 HydrophobicContact CG1-CD1 4.05Å
249E93.8Very high93.5Very high11 Ų1158.9 Ų58.95%0.05129%0.293CS..Hα-helixtrans-55.6-45.3179.9-72.2-179152.200112K21 L245 R246 L252 L360 R376K21-E249 WeakPolarHBondContact CE-O 3.19Å; L245-E249 PolarHBondContact O-N 3Å; R246-E249 PolarHBondContact O-N 2.85Å; E249-L252 PolarHBondContact O-N 2.95Å; E249-L360 HydrophobicContact CG-CD1 3.94Å; E249-L360 HydrophobicContact CG-CD2 3.98Å; E249-L360 HydrophobicContact CG-CG 4.47Å; E249-R376 VanDerWaalsContact OE1-CD 3.22Å; E249-R376 WeakPolarHBondContact OE1-CD 3.47Å; E249-R376 IonicContact OE1-NE 3.9Å; E249-R376 PolarHBondContact OE1-NE 3.05Å
250K92.6Very high93.4Very high152 Ų15259.4 Ų59.466%0.66129%0.294SS*.Hα-helixtrans-63-47.3-178.3-177.4-175.8173.1-166.60112.1K21 R246 T247 V248 L252K21-K250 PolarHBondContact NZ-O 3.24Å; R246-K250 VanDerWaalsContact O-CB 3.23Å; R246-K250 WeakPolarHBondContact O-CB 3.38Å; R246-K250 PolarHBondContact O-N 3.42Å; T247-K250 PolarHBondContact O-N 3.33Å; V248-K250 VanDerWaalsContact C-N 3.31Å; V248-K250 PolarHBondContact O-N 2.78Å; K250-L252 VanDerWaalsContact C-N 3.3Å
251E94.2Very high93.3Very high66 Ų6657.8 Ų57.831%0.30829%0.286SS..Hα-helixtrans-74.6-19.8-178.3-68.5-55136.200113I218 T247 V248 T253 K256I218-E251 HydrophobicContact CG2-CB 3.92Å; I218-E251 HydrophobicContact CG2-CG 4.19Å; T247-E251 WeakPolarHBondContact O-CB 3.42Å; T247-E251 WeakPolarHBondContact O-CG 3.5Å; T247-E251 PolarHBondContact O-N 2.94Å; T247-E251 VanDerWaalsContact O-N 3.11Å; V248-E251 PolarHBondContact O-N 2.91Å; E251-T253 PolarHBondContact O-N 3.27Å; E251-K256 WeakPolarHBondContact O-CD 3.4Å; E251-K256 IonicContact OE2-NZ 2.79Å; E251-K256 PolarHBondContact OE2-NZ 3.41Å
252L95.1Very high93.4Very high1 Ų157 Ų571%0.00528%0.277CS..  trans-68.9104.5-179-164.262.4000110.9L17 K21 M237 V248 E249 K250 F257 W260 L360 F362L17-L252 HydrophobicContact CD1-CG 4.12Å; L17-L252 HydrophobicContact CD2-CD2 3.49Å; L17-L252 VanDerWaalsContact CD2-CD2 3.49Å; L17-L252 HydrophobicContact CD2-CG 3.76Å; K21-L252 WeakPolarHBondContact CE-O 3.21Å; K21-L252 PolarHBondContact NZ-O 3.13Å; M237-L252 HydrophobicContact CE-CD1 4.17Å; M237-L252 HydrophobicContact SD-CD1 4.16Å; M237-L252 HydrophobicContact SD-CD2 4.23Å; V248-L252 VanDerWaalsContact O-CB 3.28Å; V248-L252 WeakPolarHBondContact O-CB 3.07Å; V248-L252 PolarHBondContact O-N 3.44Å; E249-L252 PolarHBondContact O-N 2.95Å; K250-L252 VanDerWaalsContact C-N 3.3Å; L252-F257 HydrophobicContact CD1-CB 3.95Å; L252-F257 HydrophobicContact CD1-CD2 4.19Å; L252-W260 HydrophobicContact CD1-CE3 3.74Å; L252-W260 HydrophobicContact CD1-CZ3 3.56Å; L252-L360 HydrophobicContact CD2-CD1 4.07Å; L252-F362 HydrophobicContact CD2-CE1 4.49Å; L252-F362 HydrophobicContact CD2-CE2 4.33Å; L252-F362 HydrophobicContact CD2-CZ 3.66Å
253T95.7Very high93.5Very high53 Ų5353.2 Ų53.233%0.32525%0.251SS..  trans-104.3169.1165.578.50000109.8L17 E251 E255 K256 F257L17-T253 WeakPolarHBondContact CD1-O 3.48Å; E251-T253 PolarHBondContact O-N 3.27Å; T253-E255 VanDerWaalsContact C-N 3.3Å; T253-E255 VanDerWaalsContact CB-OE2 3.26Å; T253-E255 WeakPolarHBondContact CB-OE2 3.2Å; T253-E255 PolarHBondContact O-N 3.04Å; T253-E255 PolarHBondContact OG1-OE2 3.17Å; T253-K256 PolarHBondContact O-N 3.48Å; T253-K256 PolarHBondContact OG1-N 3.25Å; T253-F257 VanDerWaalsContact O-CB 3.31Å; T253-F257 WeakPolarHBondContact O-CB 3.33Å; T253-F257 PolarHBondContact O-N 2.86Å
254Y94.7Very high93.4Very high32 Ų3257.2 Ų57.213%0.12527%0.272CS..Hα-helixtrans-63.5-40.6179174.9-104.1000111.3E10 F257 V258E10-Y254 VanDerWaalsContact CA-CE1 3.46Å; E10-Y254 HydrophobicContact CB-CD1 3.95Å; E10-Y254 HydrophobicContact CB-CE1 3.46Å; E10-Y254 VanDerWaalsContact CB-CE1 3.46Å; E10-Y254 HydrophobicContact CG-CD1 3.57Å; E10-Y254 HydrophobicContact CG-CE1 3.63Å; E10-Y254 HydrophobicContact CG-CG 4.35Å; E10-Y254 PolarHBondContact N-OH 3.06Å; Y254-F257 PolarHBondContact O-N 2.84Å; Y254-V258 HydrophobicContact CD1-CG2 4.26Å; Y254-V258 HydrophobicContact CD2-CG2 4.2Å; Y254-V258 HydrophobicContact CE1-CG2 3.76Å; Y254-V258 HydrophobicContact CE2-CG2 3.7Å; Y254-V258 HydrophobicContact CG-CG2 4.48Å; Y254-V258 VanDerWaalsContact CZ-CG2 3.46Å; Y254-V258 WeakPolarHBondContact O-CG2 3.44Å; Y254-V258 PolarHBondContact O-N 3.42Å
255E94.9Very high93.4Very high98 Ų9860.2 Ų60.246%0.45829%0.286SS..Hα-helixtrans-62.7-47179.7-55.775.9-165.800110.7K65 T253 V258 E259K65-E255 IonicContact NZ-OE1 3.36Å; T253-E255 VanDerWaalsContact C-N 3.3Å; T253-E255 VanDerWaalsContact CB-OE2 3.26Å; T253-E255 WeakPolarHBondContact CB-OE2 3.2Å; T253-E255 PolarHBondContact O-N 3.04Å; T253-E255 PolarHBondContact OG1-OE2 3.17Å; E255-V258 PolarHBondContact O-N 2.75Å; E255-E259 WeakPolarHBondContact O-CB 3.39Å; E255-E259 PolarHBondContact O-N 2.94Å
256K96.1Very high93.5Very high35 Ų3560.4 Ų60.415%0.15229%0.286CS..Hα-helixtrans-63.3-43.5173.9-80.5176.5161.3-167.70111.9E217 E251 T253 V258 E259 W260E217-K256 WeakPolarHBondContact OE1-CE 3.38Å; E217-K256 IonicContact OE1-NZ 3.53Å; E217-K256 PolarHBondContact OE1-NZ 3.33Å; E217-K256 IonicContact OE2-NZ 2.73Å; E251-K256 WeakPolarHBondContact O-CD 3.4Å; E251-K256 IonicContact OE2-NZ 2.79Å; E251-K256 PolarHBondContact OE2-NZ 3.41Å; T253-K256 PolarHBondContact O-N 3.48Å; T253-K256 PolarHBondContact OG1-N 3.25Å; K256-V258 PolarHBondContact O-N 3.34Å; K256-E259 PolarHBondContact O-N 2.93Å; K256-W260 HydrophobicContact CB-CD2 4.1Å; K256-W260 HydrophobicContact CB-CE3 4.2Å; K256-W260 HydrophobicContact CB-CH2 3.9Å; K256-W260 HydrophobicContact CB-CZ2 3.76Å; K256-W260 HydrophobicContact CB-CZ3 4.1Å; K256-W260 HydrophobicContact CD-CH2 3.71Å; K256-W260 HydrophobicContact CD-CZ2 3.57Å; K256-W260 HydrophobicContact CG-CH2 4.14Å; K256-W260 HydrophobicContact CG-CZ2 3.71Å; K256-W260 VanDerWaalsContact O-CB 3.28Å; K256-W260 WeakPolarHBondContact O-CB 3.21Å; K256-W260 VanDerWaalsContact O-CD2 3.28Å; K256-W260 PolarHBondContact O-N 2.89Å
257F96.4Very high93.7Very high1 Ų159.1 Ų59.10%0.00429%0.289CS..Hα-helixtrans-57.9-49.2176.4177.9-88.5000111L17 I235 M237 L252 T253 Y254 T261 F362 I371L17-F257 HydrophobicContact CD1-CB 4.14Å; I235-F257 HydrophobicContact CD1-CZ 4.22Å; M237-F257 HydrophobicContact CE-CD2 3.54Å; M237-F257 HydrophobicContact CE-CE2 3.69Å; L252-F257 HydrophobicContact CD1-CB 3.95Å; L252-F257 HydrophobicContact CD1-CD2 4.19Å; T253-F257 VanDerWaalsContact O-CB 3.31Å; T253-F257 WeakPolarHBondContact O-CB 3.33Å; T253-F257 PolarHBondContact O-N 2.86Å; Y254-F257 PolarHBondContact O-N 2.84Å; F257-T261 HydrophobicContact CD2-CG2 4.41Å; F257-T261 HydrophobicContact CE1-CG2 4.45Å; F257-T261 HydrophobicContact CE2-CG2 4.15Å; F257-T261 HydrophobicContact CZ-CG2 4.17Å; F257-T261 WeakPolarHBondContact O-CB 3.05Å; F257-T261 VanDerWaalsContact O-CG2 3.28Å; F257-T261 WeakPolarHBondContact O-CG2 3.31Å; F257-T261 PolarHBondContact O-N 2.73Å; F257-T261 VanDerWaalsContact O-N 3.09Å; F257-T261 PolarHBondContact O-OG1 3.2Å; F257-F362 HydrophobicContact CD2-CE1 4.48Å; F257-F362 HydrophobicContact CD2-CE2 4.45Å; F257-F362 HydrophobicContact CD2-CZ 4.4Å; F257-F362 HydrophobicContact CE2-CB 4.2Å; F257-F362 AromaticContact CE2-CD1 3.8Å; F257-F362 HydrophobicContact CE2-CD1 3.8Å; F257-F362 AromaticContact CE2-CD2 3.67Å; F257-F362 HydrophobicContact CE2-CD2 3.67Å; F257-F362 HydrophobicContact CE2-CE1 4.06Å; F257-F362 AromaticContact CE2-CE2 3.94Å; F257-F362 HydrophobicContact CE2-CE2 3.94Å; F257-F362 AromaticContact CE2-CG 3.6Å; F257-F362 HydrophobicContact CE2-CG 3.6Å; F257-F362 HydrophobicContact CE2-CZ 4.13Å; F257-F362 HydrophobicContact CZ-CB 4.18Å; F257-F362 HydrophobicContact CZ-CD1 4.3Å; F257-F362 HydrophobicContact CZ-CD2 4.46Å; F257-F362 HydrophobicContact CZ-CG 4.06Å; F257-I371 HydrophobicContact CD1-CD1 3.96Å; F257-I371 HydrophobicContact CD1-CG1 4.5Å; F257-I371 HydrophobicContact CE1-CD1 3.7Å; F257-I371 HydrophobicContact CE1-CG1 3.83Å; F257-I371 HydrophobicContact CE2-CD1 4.3Å; F257-I371 HydrophobicContact CG-CD1 4.37Å; F257-I371 HydrophobicContact CZ-CD1 3.89Å; F257-I371 HydrophobicContact CZ-CG1 4.05Å
258V94.5Very high93.8Very high52 Ų5262.2 Ų62.232%0.31530%0.299SS..Hα-helixtrans-59.5-53177170.10000109.7Y254 E255 K256 W260 T261 R262Y254-V258 HydrophobicContact CD1-CG2 4.26Å; Y254-V258 HydrophobicContact CD2-CG2 4.2Å; Y254-V258 HydrophobicContact CE1-CG2 3.76Å; Y254-V258 HydrophobicContact CE2-CG2 3.7Å; Y254-V258 HydrophobicContact CG-CG2 4.48Å; Y254-V258 VanDerWaalsContact CZ-CG2 3.46Å; Y254-V258 WeakPolarHBondContact O-CG2 3.44Å; Y254-V258 PolarHBondContact O-N 3.42Å; E255-V258 PolarHBondContact O-N 2.75Å; K256-V258 PolarHBondContact O-N 3.34Å; V258-W260 PolarHBondContact O-N 3.06Å; V258-T261 CarbonylContact O-C 3.19Å; V258-T261 PolarHBondContact O-N 3.39Å; V258-T261 PolarHBondContact O-OG1 3.46Å; V258-R262 VanDerWaalsContact O-CG 3.26Å; V258-R262 WeakPolarHBondContact O-CG 3.41Å; V258-R262 PolarHBondContact O-N 2.61Å; V258-R262 VanDerWaalsContact O-N 3.12Å
259E95.2Very high93.7Very high126 Ų12665.7 Ų65.759%0.58932%0.315SS*.Hα-helixtrans-53.4-51.3-179.9-177.8-179.1-179.100112.6E255 K256 T261 R262E255-E259 WeakPolarHBondContact O-CB 3.39Å; E255-E259 PolarHBondContact O-N 2.94Å; K256-E259 PolarHBondContact O-N 2.93Å; E259-T261 VanDerWaalsContact C-N 3.26Å; E259-T261 PolarHBondContact O-N 3.2Å; E259-R262 WeakPolarHBondContact O-CB 3.43Å; E259-R262 PolarHBondContact O-N 3.08Å
260W95.5Very high93.7Very high13 Ų1369.1 Ų69.15%0.04933%0.331CS..Hα-helixtrans-72.3-18.6-176-59.4-18.5000113.6I215 I218 I222 L252 K256 V258I215-W260 HydrophobicContact CD1-CB 3.86Å; I215-W260 HydrophobicContact CD1-CG 3.78Å; I215-W260 HydrophobicContact CG1-CB 4.03Å; I215-W260 HydrophobicContact CG1-CD2 4.21Å; I215-W260 HydrophobicContact CG1-CG 3.85Å; I215-W260 HydrophobicContact CG2-CD2 4.05Å; I215-W260 HydrophobicContact CG2-CG 4.27Å; I215-W260 HydrophobicContact CG2-CZ2 4.02Å; I218-W260 HydrophobicContact CD1-CE3 4.01Å; I218-W260 HydrophobicContact CD1-CH2 3.79Å; I218-W260 HydrophobicContact CD1-CZ3 3.5Å; I218-W260 VanDerWaalsContact CD1-CZ3 3.5Å; I218-W260 HydrophobicContact CG1-CH2 4.18Å; I218-W260 HydrophobicContact CG1-CZ3 4.35Å; I218-W260 HydrophobicContact CG2-CH2 3.98Å; I222-W260 HydrophobicContact CD1-CB 3.73Å; L252-W260 HydrophobicContact CD1-CE3 3.74Å; L252-W260 HydrophobicContact CD1-CZ3 3.56Å; K256-W260 HydrophobicContact CB-CD2 4.1Å; K256-W260 HydrophobicContact CB-CE3 4.2Å; K256-W260 HydrophobicContact CB-CH2 3.9Å; K256-W260 HydrophobicContact CB-CZ2 3.76Å; K256-W260 HydrophobicContact CB-CZ3 4.1Å; K256-W260 HydrophobicContact CD-CH2 3.71Å; K256-W260 HydrophobicContact CD-CZ2 3.57Å; K256-W260 HydrophobicContact CG-CH2 4.14Å; K256-W260 HydrophobicContact CG-CZ2 3.71Å; K256-W260 VanDerWaalsContact O-CB 3.28Å; K256-W260 WeakPolarHBondContact O-CB 3.21Å; K256-W260 VanDerWaalsContact O-CD2 3.28Å; K256-W260 PolarHBondContact O-N 2.89Å; V258-W260 PolarHBondContact O-N 3.06Å
261T94.5Very high93.8Very high7 Ų761.9 Ų61.94%0.04330%0.3CS..THydrogen-bonded Turntrans-108.712.1-179.563.40000113.3I235 M237 F257 V258 E259 L263I235-T261 HydrophobicContact CD1-CG2 3.9Å; I235-T261 HydrophobicContact CG2-CG2 3.87Å; M237-T261 HydrophobicContact CE-CG2 3.79Å; F257-T261 HydrophobicContact CD2-CG2 4.41Å; F257-T261 HydrophobicContact CE1-CG2 4.45Å; F257-T261 HydrophobicContact CE2-CG2 4.15Å; F257-T261 HydrophobicContact CZ-CG2 4.17Å; F257-T261 WeakPolarHBondContact O-CB 3.05Å; F257-T261 VanDerWaalsContact O-CG2 3.28Å; F257-T261 WeakPolarHBondContact O-CG2 3.31Å; F257-T261 PolarHBondContact O-N 2.73Å; F257-T261 VanDerWaalsContact O-N 3.09Å; F257-T261 PolarHBondContact O-OG1 3.2Å; V258-T261 CarbonylContact O-C 3.19Å; V258-T261 PolarHBondContact O-N 3.39Å; V258-T261 PolarHBondContact O-OG1 3.46Å; E259-T261 VanDerWaalsContact C-N 3.26Å; E259-T261 PolarHBondContact O-N 3.2Å; T261-L263 PolarHBondContact O-N 3.05Å
262R92.4Very high94Very high114 Ų11460.5 Ų60.543%0.4329%0.293SS..  trans-63.3101173.8-80.8-172.464.6173.1-3.2111.3V258 E259 D264 M265 M266V258-R262 VanDerWaalsContact O-CG 3.26Å; V258-R262 WeakPolarHBondContact O-CG 3.41Å; V258-R262 PolarHBondContact O-N 2.61Å; V258-R262 VanDerWaalsContact O-N 3.12Å; E259-R262 WeakPolarHBondContact O-CB 3.43Å; E259-R262 PolarHBondContact O-N 3.08Å; R262-D264 WeakPolarHBondContact CB-OD1 3.39Å; R262-D264 IonicContact CZ-OD1 2.75Å; R262-D264 IonicContact CZ-OD2 3.65Å; R262-D264 IonicContact NE-OD1 2.98Å; R262-D264 PolarHBondContact NE-OD1 3.39Å; R262-D264 IonicContact NE-OD2 2.66Å; R262-D264 IonicContact NH2-OD1 3.65Å; R262-D264 IonicContact NH2-OD2 3.2Å; R262-D264 PolarHBondContact NH2-OD2 3.08Å; R262-D264 PolarHBondContact O-N 2.62Å; R262-D264 VanDerWaalsContact O-N 3.07Å; R262-M265 HydrophobicContact CB-CB 4.15Å; R262-M265 HydrophobicContact CB-CG 4Å; R262-M265 PolarHBondContact O-N 3.4Å; R262-M266 WeakPolarHBondContact O-CG 3.41Å; R262-M266 PolarHBondContact O-N 3.29Å
263L90.3Very high94.1Very high54 Ų5460.5 Ų60.528%0.28329%0.293SS..THydrogen-bonded Turntrans-57.6-26.9-176.3-58.5-179.5000113.9K211 V224 T261 M265 M266K211-L263 HydrophobicContact CD-CB 4.07Å; K211-L263 HydrophobicContact CD-CD2 4.17Å; K211-L263 PolarHBondContact NZ-O 3.5Å; V224-L263 HydrophobicContact CB-CD2 4.37Å; V224-L263 HydrophobicContact CG1-CD2 4Å; V224-L263 HydrophobicContact CG2-CD2 3.84Å; T261-L263 PolarHBondContact O-N 3.05Å; L263-M265 VanDerWaalsContact C-N 3.27Å; L263-M266 HydrophobicContact CD2-SD 4.16Å
264D90.1Very high94.2Very high110 Ų11058.3 Ų58.359%0.58828%0.28SS*.THydrogen-bonded Turntrans-73.9-17.2177.160.7-42.2000113.5R262R262-D264 WeakPolarHBondContact CB-OD1 3.39Å; R262-D264 IonicContact CZ-OD1 2.75Å; R262-D264 IonicContact CZ-OD2 3.65Å; R262-D264 IonicContact NE-OD1 2.98Å; R262-D264 PolarHBondContact NE-OD1 3.39Å; R262-D264 IonicContact NE-OD2 2.66Å; R262-D264 IonicContact NH2-OD1 3.65Å; R262-D264 IonicContact NH2-OD2 3.2Å; R262-D264 PolarHBondContact NH2-OD2 3.08Å; R262-D264 PolarHBondContact O-N 2.62Å; R262-D264 VanDerWaalsContact O-N 3.07Å
265M90.3Very high94.4Very high128 Ų12856.8 Ų56.863%0.63127%0.274SS*.SBendtrans-105.1-1.8-179.1-60-62.5-61.700113.1R262 L263R262-M265 HydrophobicContact CB-CB 4.15Å; R262-M265 HydrophobicContact CB-CG 4Å; R262-M265 PolarHBondContact O-N 3.4Å; L263-M265 VanDerWaalsContact C-N 3.27Å
266M94Very high94.6Very high16 Ų1652.1 Ų52.18%0.07925%0.252CS..SBendtrans-92.7144.2179.6-62.5-178.275.500111K211 T213 I222 V224 R262 L263K211-M266 HydrophobicContact CB-CB 4.05Å; K211-M266 HydrophobicContact CB-CE 4.38Å; K211-M266 HydrophobicContact CB-SD 4.35Å; T213-M266 HydrophobicContact CG2-CE 3.93Å; T213-M266 HydrophobicContact CG2-CG 4.21Å; I222-M266 HydrophobicContact CB-CE 4.37Å; I222-M266 HydrophobicContact CG2-CE 4.08Å; V224-M266 HydrophobicContact CG2-CE 3.68Å; V224-M266 HydrophobicContact CG2-SD 3.7Å; R262-M266 WeakPolarHBondContact O-CG 3.41Å; R262-M266 PolarHBondContact O-N 3.29Å; L263-M266 HydrophobicContact CD2-SD 4.16Å
267D91.9Very high94.6Very high105 Ų10554.8 Ų54.856%0.56126%0.262SS*.EExtended strand (participates in β ladder)trans-72.3131.5174.6-64.3-52.5000109.5K211 K212K211-D267 CarbonylContact C-O 3.59Å; K211-D267 VanDerWaalsContact CA-O 3.29Å; K211-D267 WeakPolarHBondContact CA-O 3.27Å; K212-D267 PolarHBondContact N-O 3.08Å; K212-D267 PolarHBondContact O-N 3.1Å
268E93.9Very high94.5Very high133 Ų13355.3 Ų55.362%0.62126%0.264SS*.EExtended strand (participates in β ladder)trans-102.1103.1172.7-173.8165.5-131.700108.2T209 K211T209-E268 HydrophobicContact CG2-CG 3.49Å; T209-E268 VanDerWaalsContact CG2-CG 3.49Å; K211-E268 HydrophobicContact CG-CB 4.35Å; K211-E268 HydrophobicContact CG-CG 4.5Å
269E91.5Very high94.5Very high72 Ų7258.4 Ų58.434%0.33627%0.273SS..EExtended strand (participates in β ladder)trans-141.4163.6-173.263.1175.4173.500111.7T209 F210 V271T209-E269 CarbonylContact C-O 3.59Å; T209-E269 VanDerWaalsContact CA-O 3.26Å; T209-E269 WeakPolarHBondContact CA-O 3.31Å; F210-E269 PolarHBondContact N-O 2.87Å; F210-E269 PolarHBondContact O-N 3.4Å; F210-E269 VanDerWaalsContact O-N 3.16Å; E269-V271 HydrophobicContact CG-CG2 3.92Å
270E94.6Very high94.3Very high83 Ų8352.6 Ų52.639%0.38825%0.246SC..EExtended strand (participates in β ladder)trans-70.5126.6173.4-172.6176-148.500110.1Q207 S208 V350 P351Q207-E270 HydrophobicContact CG-CG 3.94Å; Q207-E270 VanDerWaalsContact NE2-CD 3.25Å; Q207-E270 PolarHBondContact NE2-OE1 3.07Å; S208-E270 WeakPolarHBondContact O-CA 3.5Å; E270-V350 HydrophobicContact CG-CG1 4.15Å; E270-V350 WeakPolarHBondContact O-CG1 3.44Å; E270-P351 WeakPolarHBondContact O-CD 3.28Å
271V94.6Very high94.1Very high0 Ų056.1 Ų56.10%026%0.263CS..EExtended strand (participates in β ladder)trans-135.2136-175.5-177.40000110.2Q207 S208 K212 E269 V273 P351 F353Q207-V271 WeakPolarHBondContact CA-O 3.48Å; S208-V271 PolarHBondContact N-O 3.33Å; S208-V271 PolarHBondContact O-N 3.49Å; K212-V271 HydrophobicContact CD-CG2 4.21Å; E269-V271 HydrophobicContact CG-CG2 3.92Å; V271-V273 HydrophobicContact CB-CG2 4.34Å; V271-V273 HydrophobicContact CG1-CG2 3.99Å; V271-P351 WeakPolarHBondContact CA-O 2.76Å; V271-P351 WeakPolarHBondContact CG1-O 3.35Å; V271-F353 HydrophobicContact CG1-CB 3.95Å
272E97Very high94Very high38 Ų3858 Ų5818%0.17827%0.271CS..EExtended strand (participates in β ladder)trans-79.9110.7164.8-74.4-179.9-179.500109.2F205 Q207 V350 P351 R352 F353F205-E272 HydrophobicContact CE2-CB 3.98Å; F205-E272 HydrophobicContact CE2-CG 4.24Å; F205-E272 HydrophobicContact CZ-CB 4.25Å; F205-E272 HydrophobicContact CZ-CG 4.03Å; Q207-E272 HydrophobicContact CB-CG 4.37Å; Q207-E272 HydrophobicContact CG-CG 4.29Å; E272-V350 HydrophobicContact CG-CB 4.36Å; E272-V350 HydrophobicContact CG-CG1 3.97Å; E272-P351 PolarHBondContact N-O 3.23Å; E272-R352 HydrophobicContact CB-CG 4.09Å; E272-R352 WeakPolarHBondContact O-CA 3.46Å; E272-R352 WeakPolarHBondContact OE2-CG 3.4Å; E272-R352 IonicContact OE2-CZ 2.73Å; E272-R352 IonicContact OE2-NE 3.98Å; E272-R352 PolarHBondContact OE2-NE 2.71Å; E272-R352 IonicContact OE2-NH2 3.53Å; E272-F353 PolarHBondContact O-N 3.04Å
273V98.2Very high94Very high0 Ų055.7 Ų55.70%027%0.272CS..EExtended strand (participates in β ladder)trans-105.3122.2-176.9-178.40000109.8F181 F205 K206 F210 L223 V271 F353F181-V273 HydrophobicContact CE1-CG1 4.24Å; F181-V273 HydrophobicContact CZ-CG1 4.24Å; F205-V273 WeakPolarHBondContact CA-O 3.28Å; K206-V273 PolarHBondContact N-O 2.94Å; K206-V273 VanDerWaalsContact N-O 3.09Å; K206-V273 PolarHBondContact O-N 3.42Å; F210-V273 HydrophobicContact CD2-CG2 3.72Å; F210-V273 HydrophobicContact CE2-CG2 3.95Å; L223-V273 HydrophobicContact CD1-CG2 4.42Å; L223-V273 HydrophobicContact CD2-CB 4.35Å; L223-V273 HydrophobicContact CD2-CG1 3.63Å; L223-V273 HydrophobicContact CD2-CG2 3.73Å; V271-V273 HydrophobicContact CB-CG2 4.34Å; V271-V273 HydrophobicContact CG1-CG2 3.99Å; V273-F353 WeakPolarHBondContact CA-O 3.34Å
274S98.4Very high94.1Very high7 Ų754.4 Ų54.45%0.04926%0.264CS..EExtended strand (participates in β ladder)trans-112.1122.3166.4-53.70000109.7M204 F353 A355M204-S274 VanDerWaalsContact O-CA 3.27Å; M204-S274 WeakPolarHBondContact O-CA 3.32Å; S274-F353 PolarHBondContact N-O 2.89Å; S274-A355 PolarHBondContact O-N 3.14Å
275L98.4Very high94.2Very high0 Ų052.4 Ų52.40%025%0.253CS..EExtended strand (participates in β ladder)trans-136.4126.3-177.3179.364.3000109.8W177 F181 M203 M204 L225 I236 V327 A355 F359W177-L275 HydrophobicContact CZ2-CD2 4.49Å; F181-L275 HydrophobicContact CZ-CB 4.3Å; F181-L275 HydrophobicContact CZ-CD2 4.24Å; M203-L275 PolarHBondContact SD-N 3.26Å; M203-L275 VanDerWaalsContact SD-N 3.42Å; M204-L275 VanDerWaalsContact CB-O 3.3Å; M204-L275 WeakPolarHBondContact CB-O 3.39Å; M204-L275 HydrophobicContact CE-CB 4.07Å; M204-L275 HydrophobicContact CE-CD2 3.81Å; M204-L275 HydrophobicContact CE-CG 3.88Å; M204-L275 WeakPolarHBondContact CG-O 3.47Å; M204-L275 PolarHBondContact N-O 3.28Å; M204-L275 PolarHBondContact O-N 3.44Å; L225-L275 HydrophobicContact CD1-CD2 3.84Å; I236-L275 HydrophobicContact CD1-CD1 3.51Å; I236-L275 HydrophobicContact CD1-CD2 4.07Å; I236-L275 HydrophobicContact CD1-CG 4.42Å; L275-V327 HydrophobicContact CD2-CG1 4.17Å; L275-A355 HydrophobicContact CD1-CB 4.21Å; L275-F359 HydrophobicContact CD1-CZ 4.16Å
276P98.1Very high94.4Very high0 Ų046.3 Ų46.30%022%0.223CC..EExtended strand (participates in β ladder)trans-62.6144.1176.422.5-34.9000111.7F191 V201 M203 F278 A355 F359 F377F191-P276 HydrophobicContact CD2-CG 4.43Å; F191-P276 HydrophobicContact CE2-CG 4.32Å; V201-P276 HydrophobicContact CB-CB 4.35Å; V201-P276 HydrophobicContact CG2-CB 4.15Å; M203-P276 HydrophobicContact SD-CB 4.47Å; M203-P276 VanDerWaalsContact SD-CD 3.59Å; M203-P276 VanDerWaalsContact SD-N 3.36Å; P276-F278 HydrophobicContact CG-CD1 4.27Å; P276-F278 VanDerWaalsContact O-CD1 3.24Å; P276-F278 WeakPolarHBondContact O-CD1 3.5Å; P276-A355 WeakPolarHBondContact CD-O 3.49Å; P276-F359 HydrophobicContact CG-CE1 3.89Å; P276-F359 HydrophobicContact CG-CZ 4.12Å; P276-F377 HydrophobicContact CB-CE1 4.22Å; P276-F377 HydrophobicContact CG-CD1 4.21Å; P276-F377 HydrophobicContact CG-CE1 3.77Å
277R96.4Very high94.4Very high92 Ų9248 Ų4835%0.34723%0.231SC..  trans-66.4135.1154.9-66.2-173.3-174.2174.5-1.4108.2Q202 M204 V327 E329Q202-R277 HydrophobicContact CB-CB 4.27Å; Q202-R277 HydrophobicContact CB-CG 4.18Å; Q202-R277 PolarHBondContact O-N 3.2Å; M204-R277 HydrophobicContact CG-CG 3.68Å; M204-R277 HydrophobicContact SD-CG 3.85Å; R277-V327 WeakPolarHBondContact CA-O 3.11Å; R277-E329 VanDerWaalsContact CZ-CD 3.42Å; R277-E329 IonicContact CZ-OE1 3.52Å; R277-E329 IonicContact CZ-OE2 3.35Å; R277-E329 IonicContact NE-OE1 2.84Å; R277-E329 PolarHBondContact NE-OE1 3.34Å; R277-E329 IonicContact NE-OE2 3.62Å; R277-E329 PolarHBondContact NE-OE2 2.91Å; R277-E329 VanDerWaalsContact NE-OE2 3.13Å; R277-E329 IonicContact NH2-OE1 3.38Å; R277-E329 PolarHBondContact NH2-OE1 3.12Å; R277-E329 IonicContact NH2-OE2 2.7Å; R277-E329 PolarHBondContact NH2-OE2 3.27Å
278F95.6Very high94.4Very high11 Ų1146.4 Ų46.45%0.04823%0.228CC..EExtended strand (participates in β ladder)trans-153.3158.6173.760.3-95.6000111.8P276 L280 V325 E326 V327 F359 F361 F377P276-F278 HydrophobicContact CG-CD1 4.27Å; P276-F278 VanDerWaalsContact O-CD1 3.24Å; P276-F278 WeakPolarHBondContact O-CD1 3.5Å; F278-L280 HydrophobicContact CD2-CD1 4.25Å; F278-L280 HydrophobicContact CD2-CG 3.96Å; F278-L280 HydrophobicContact CE2-CD1 4.25Å; F278-L280 HydrophobicContact CE2-CG 4.4Å; F278-V325 HydrophobicContact CE2-CG1 4.45Å; F278-E326 CarbonylContact O-C 3.58Å; F278-E326 WeakPolarHBondContact O-CA 3.3Å; F278-V327 HydrophobicContact CD1-CB 4.1Å; F278-V327 HydrophobicContact CD1-CG1 4.46Å; F278-V327 HydrophobicContact CD2-CB 4.28Å; F278-V327 HydrophobicContact CD2-CG2 4.24Å; F278-V327 HydrophobicContact CE1-CB 3.82Å; F278-V327 HydrophobicContact CE1-CG1 4Å; F278-V327 HydrophobicContact CE1-CG2 3.95Å; F278-V327 HydrophobicContact CE2-CB 4.05Å; F278-V327 HydrophobicContact CE2-CG2 3.57Å; F278-V327 HydrophobicContact CG-CB 4.33Å; F278-V327 HydrophobicContact CZ-CB 3.81Å; F278-V327 HydrophobicContact CZ-CG1 4.31Å; F278-V327 HydrophobicContact CZ-CG2 3.41Å; F278-V327 VanDerWaalsContact CZ-CG2 3.41Å; F278-V327 PolarHBondContact N-O 3.32Å; F278-V327 VanDerWaalsContact N-O 3.16Å; F278-V327 PolarHBondContact O-N 3.21Å; F278-F359 HydrophobicContact CD1-CZ 4.49Å; F278-F359 HydrophobicContact CE1-CE2 4.34Å; F278-F359 AromaticContact CE1-CZ 3.93Å; F278-F359 HydrophobicContact CE1-CZ 3.93Å; F278-F361 HydrophobicContact CE2-CE1 4.11Å; F278-F361 HydrophobicContact CE2-CE2 4.43Å; F278-F361 AromaticContact CE2-CZ 3.93Å; F278-F361 HydrophobicContact CE2-CZ 3.93Å; F278-F361 HydrophobicContact CZ-CD1 4.42Å; F278-F361 HydrophobicContact CZ-CE1 4.2Å; F278-F361 HydrophobicContact CZ-CZ 4.25Å; F278-F377 HydrophobicContact CB-CD2 4.02Å; F278-F377 HydrophobicContact CB-CE2 3.32Å; F278-F377 HydrophobicContact CB-CZ 3.6Å; F278-F377 HydrophobicContact CD1-CD2 4.34Å; F278-F377 HydrophobicContact CD1-CE2 4.29Å; F278-F377 HydrophobicContact CD1-CZ 4.37Å; F278-F377 HydrophobicContact CD2-CD2 4.14Å; F278-F377 HydrophobicContact CD2-CE2 4.28Å; F278-F377 AromaticContact CG-CD2 3.93Å; F278-F377 HydrophobicContact CG-CD2 3.93Å; F278-F377 AromaticContact CG-CE2 3.74Å; F278-F377 HydrophobicContact CG-CE2 3.74Å; F278-F377 HydrophobicContact CG-CZ 4.16Å
279K93.3Very high94.4Very high117 Ų11740.9 Ų40.951%0.50920%0.203SC..EExtended strand (participates in β ladder)trans-133.6122.1175.9176.4178.9170.1162.90107.8F324 V325K279-F324 HydrophobicContact CD-CE2 4.26Å; K279-F324 HydrophobicContact CD-CZ 4.07Å; K279-F324 HydrophobicContact CG-CE2 4.24Å; K279-F324 HydrophobicContact CG-CZ 4.09Å; K279-V325 CarbonylContact C-O 3.54Å; K279-V325 WeakPolarHBondContact CA-O 2.95Å
280L92.1Very high94.6Very high4 Ų437.4 Ų37.42%0.02119%0.187CC..EExtended strand (participates in β ladder)trans-116.9127.8177.2-58.7-179.9000109.3N30 F32 F278 F324 V325 F361 F377N30-L280 HydrophobicContact CB-CD1 4.32Å; N30-L280 HydrophobicContact CB-CD2 3.71Å; N30-L280 WeakPolarHBondContact ND2-CD2 3.42Å; F32-L280 HydrophobicContact CB-CB 4.09Å; F32-L280 HydrophobicContact CB-CD1 4.05Å; F32-L280 HydrophobicContact CG-CB 4.37Å; F278-L280 HydrophobicContact CD2-CD1 4.25Å; F278-L280 HydrophobicContact CD2-CG 3.96Å; F278-L280 HydrophobicContact CE2-CD1 4.25Å; F278-L280 HydrophobicContact CE2-CG 4.4Å; L280-F324 WeakPolarHBondContact O-CA 3.41Å; L280-V325 HydrophobicContact CB-CG1 3.94Å; L280-V325 HydrophobicContact CG-CG1 4.47Å; L280-V325 PolarHBondContact N-O 3.37Å; L280-V325 PolarHBondContact O-N 3.44Å; L280-F361 HydrophobicContact CD1-CE1 3.94Å; L280-F361 HydrophobicContact CD1-CZ 3.89Å; L280-F377 HydrophobicContact CD1-CD2 4.34Å; L280-F377 HydrophobicContact CD2-CD2 4.1Å; L280-F377 HydrophobicContact CD2-CE2 4.3Å
281E91.1Very high94.6Very high87 Ų8736.5 Ų36.541%0.40718%0.18SC..EExtended strand (participates in β ladder)trans-128103.9171.1-176.2-178155.500107.4K322 S323 F324E281-K322 WeakPolarHBondContact OE1-CE 3.45Å; E281-K322 IonicContact OE1-NZ 3.55Å; E281-K322 PolarHBondContact OE1-NZ 3.13Å; E281-S323 WeakPolarHBondContact CA-O 3.32Å; E281-F324 HydrophobicContact CB-CD2 4.07Å; E281-F324 HydrophobicContact CG-CD2 4.18Å
282E92.1Very high94.6Very high47 Ų4742.2 Ų42.222%0.2221%0.211CC..EExtended strand (participates in β ladder)trans-116.3138.2-174.7-67.5-65.3152.400110F32 Y284 K322 S323F32-E282 HydrophobicContact CB-CB 4.34Å; F32-E282 HydrophobicContact CB-CG 3.88Å; F32-E282 WeakPolarHBondContact O-CB 3.3Å; E282-Y284 HydrophobicContact CB-CE2 3.66Å; E282-Y284 WeakPolarHBondContact CB-OH 3.44Å; E282-K322 WeakPolarHBondContact O-CA 3.43Å; E282-K322 WeakPolarHBondContact O-CG 3.12Å; E282-S323 PolarHBondContact N-O 2.83Å; E282-S323 VanDerWaalsContact N-O 3.12Å; E282-S323 PolarHBondContact O-N 3.05Å
283S92.4Very high94.4Very high65 Ų6542.7 Ų42.746%0.45521%0.214SC..EExtended strand (participates in β ladder)trans-131.7124.9-177.6-172.80000109.9H321S283-H321 WeakPolarHBondContact CA-O 3.41Å
284Y92.8Very high94.2Very high27 Ų2744.3 Ų44.311%0.10623%0.231CC..EExtended strand (participates in β ladder)trans-122.4126.6-176.3-54.1-78.2000110.8L23 F32 F33 E282 M286 V320 H321L23-Y284 HydrophobicContact CB-CE1 4.48Å; L23-Y284 HydrophobicContact CD1-CD1 4.19Å; L23-Y284 HydrophobicContact CD1-CD2 4.44Å; L23-Y284 HydrophobicContact CD1-CE1 3.98Å; L23-Y284 HydrophobicContact CD1-CE2 4.2Å; L23-Y284 HydrophobicContact CD1-CG 4.42Å; L23-Y284 HydrophobicContact CD2-CD1 3.67Å; L23-Y284 HydrophobicContact CD2-CE1 3.91Å; L23-Y284 HydrophobicContact CD2-CG 4.32Å; L23-Y284 HydrophobicContact CG-CD1 4.49Å; L23-Y284 HydrophobicContact CG-CE1 4.35Å; F32-Y284 PolarHBondContact N-OH 3.37Å; F32-Y284 VanDerWaalsContact N-OH 3.16Å; F32-Y284 VanDerWaalsContact O-CE2 3.32Å; F32-Y284 WeakPolarHBondContact O-CE2 3.34Å; F33-Y284 HydrophobicContact CB-CE2 4.18Å; E282-Y284 HydrophobicContact CB-CE2 3.66Å; E282-Y284 WeakPolarHBondContact CB-OH 3.44Å; Y284-M286 HydrophobicContact CG-SD 4.36Å; Y284-M286 PolarHBondContact O-N 3.39Å; Y284-V320 WeakPolarHBondContact O-CA 3.33Å; Y284-H321 AromaticContact CD2-CD2 3.91Å; Y284-H321 PolarHBondContact N-O 3.46Å; Y284-H321 PolarHBondContact O-N 2.75Å
285D92.4Very high94.1Very high68 Ų6844 Ų4436%0.36423%0.229SC..EExtended strand (participates in β ladder)trans-81.5104.7157.1-164.9-37.4000107.9E287 K318D285-E287 VanDerWaalsContact C-N 3.3Å; D285-E287 PolarHBondContact O-N 3.38Å; D285-E287 PolarHBondContact OD1-N 2.8Å; D285-K318 WeakPolarHBondContact OD2-CE 3.4Å; D285-K318 IonicContact OD2-NZ 3.75Å; D285-K318 PolarHBondContact OD2-NZ 3.29Å
286M94.6Very high94Very high0 Ų046.1 Ų46.10%024%0.241CC..Hα-helixtrans-81-8.8-167.5-71.2-61-49.600113.1L19 M38 Y284 S288 V289 L290 V319 H321L19-M286 HydrophobicContact CD1-CE 3.83Å; L19-M286 HydrophobicContact CD2-CE 4.4Å; M38-M286 HydrophobicContact CE-CE 3.29Å; M38-M286 HydrophobicContact CE-CG 3.96Å; M38-M286 HydrophobicContact CE-SD 3.58Å; M38-M286 VanDerWaalsContact CE-SD 3.58Å; Y284-M286 HydrophobicContact CG-SD 4.36Å; Y284-M286 PolarHBondContact O-N 3.39Å; M286-S288 PolarHBondContact O-N 2.84Å; M286-V289 HydrophobicContact CE-CB 3.79Å; M286-V289 HydrophobicContact CE-CG1 3.61Å; M286-V289 PolarHBondContact O-N 3.17Å; M286-V289 HydrophobicContact SD-CB 4.41Å; M286-L290 HydrophobicContact CB-CD1 3.91Å; M286-L290 HydrophobicContact CB-CG 4.26Å; M286-L290 HydrophobicContact CE-CD2 4.2Å; M286-L290 HydrophobicContact CE-CG 4.02Å; M286-L290 VanDerWaalsContact O-CB 3.29Å; M286-L290 WeakPolarHBondContact O-CB 3.24Å; M286-L290 WeakPolarHBondContact O-CG 3.47Å; M286-L290 PolarHBondContact O-N 3.22Å; M286-V319 HydrophobicContact CB-CB 3.93Å; M286-V319 HydrophobicContact CB-CG1 3.74Å; M286-V319 WeakPolarHBondContact CB-O 3.5Å; M286-V319 HydrophobicContact CG-CG1 4.3Å; M286-V319 PolarHBondContact N-O 3.48Å; M286-H321 HydrophobicContact CG-CB 3.95Å; M286-H321 HydrophobicContact SD-CB 4.44Å
287E93.2Very high94Very high53 Ų5347 Ų4725%0.24825%0.246CC..Hα-helixtrans-57.2-54.6-179173.6172.7-178.800111.2D285 V289 L290 R291 F299D285-E287 VanDerWaalsContact C-N 3.3Å; D285-E287 PolarHBondContact O-N 3.38Å; D285-E287 PolarHBondContact OD1-N 2.8Å; E287-V289 PolarHBondContact O-N 3.08Å; E287-L290 PolarHBondContact O-N 3.42Å; E287-R291 HydrophobicContact CG-CG 4.35Å; E287-R291 WeakPolarHBondContact O-CB 3.34Å; E287-R291 VanDerWaalsContact O-CG 3.3Å; E287-R291 WeakPolarHBondContact O-CG 3.49Å; E287-R291 PolarHBondContact O-N 3.5Å; E287-R291 IonicContact OE1-CZ 2.97Å; E287-R291 IonicContact OE1-NE 3.29Å; E287-R291 PolarHBondContact OE1-NE 2.81Å; E287-R291 IonicContact OE1-NH2 3.01Å; E287-R291 PolarHBondContact OE1-NH2 2.97Å; E287-F299 HydrophobicContact CB-CD1 4.04Å; E287-F299 HydrophobicContact CB-CE1 3.8Å; E287-F299 HydrophobicContact CB-CZ 4.36Å; E287-F299 HydrophobicContact CG-CB 4.45Å; E287-F299 HydrophobicContact CG-CD1 3.58Å; E287-F299 HydrophobicContact CG-CD2 4.5Å; E287-F299 HydrophobicContact CG-CE1 3.83Å; E287-F299 HydrophobicContact CG-CG 3.95Å; E287-F299 HydrophobicContact CG-CZ 4.41Å
288S92.1Very high94.1Very high71 Ų7142.6 Ų42.650%0.49723%0.23SC..Hα-helixtrans-61.1-37.2-178.265.80000112.1M286 N292M286-S288 PolarHBondContact O-N 2.84Å; S288-N292 WeakPolarHBondContact O-CB 3.29Å; S288-N292 PolarHBondContact O-N 3.26Å; S288-N292 PolarHBondContact O-ND2 2.84Å
289V94.1Very high94.1Very high16 Ų1642.7 Ų42.710%0.09723%0.23CC..Hα-helixtrans-68.7-48.2179.8179.10000110.6L19 T22 L23 M286 E287 N292 L293L19-V289 HydrophobicContact CD1-CG1 3.55Å; T22-V289 HydrophobicContact CG2-CG1 3.88Å; L23-V289 HydrophobicContact CD2-CG1 4.05Å; L23-V289 HydrophobicContact CD2-CG2 3.76Å; M286-V289 HydrophobicContact CE-CB 3.79Å; M286-V289 HydrophobicContact CE-CG1 3.61Å; M286-V289 PolarHBondContact O-N 3.17Å; M286-V289 HydrophobicContact SD-CB 4.41Å; E287-V289 PolarHBondContact O-N 3.08Å; V289-N292 WeakPolarHBondContact O-CB 3.22Å; V289-N292 PolarHBondContact O-N 3.48Å; V289-L293 HydrophobicContact CG1-CD1 4.33Å; V289-L293 WeakPolarHBondContact O-CG 3.23Å; V289-L293 PolarHBondContact O-N 3.23Å
290L95.5Very high94.2Very high0 Ų039.8 Ų39.80%022%0.218CC..Hα-helixtrans-67.9-39.2-179.4-67.8170.3000111.4L42 M286 E287 L293 G294 M295 F299 V319L42-L290 HydrophobicContact CD1-CD1 4.3Å; L42-L290 HydrophobicContact CD1-CD2 3.97Å; L42-L290 HydrophobicContact CD2-CD1 3.93Å; M286-L290 HydrophobicContact CB-CD1 3.91Å; M286-L290 HydrophobicContact CB-CG 4.26Å; M286-L290 HydrophobicContact CE-CD2 4.2Å; M286-L290 HydrophobicContact CE-CG 4.02Å; M286-L290 VanDerWaalsContact O-CB 3.29Å; M286-L290 WeakPolarHBondContact O-CB 3.24Å; M286-L290 WeakPolarHBondContact O-CG 3.47Å; M286-L290 PolarHBondContact O-N 3.22Å; E287-L290 PolarHBondContact O-N 3.42Å; L290-L293 CarbonylContact O-C 3.59Å; L290-L293 PolarHBondContact O-N 3.15Å; L290-L293 VanDerWaalsContact O-N 3.17Å; L290-G294 PolarHBondContact O-N 3.15Å; L290-G294 VanDerWaalsContact O-N 3.16Å; L290-M295 HydrophobicContact CB-CB 4.09Å; L290-M295 HydrophobicContact CB-SD 4.25Å; L290-M295 HydrophobicContact CD1-SD 4.27Å; L290-M295 HydrophobicContact CD2-CE 4.13Å; L290-M295 WeakPolarHBondContact O-CB 3.15Å; L290-M295 PolarHBondContact O-N 3.35Å; L290-F299 HydrophobicContact CB-CE2 3.86Å; L290-F299 HydrophobicContact CB-CZ 3.98Å; L290-F299 HydrophobicContact CD1-CE2 4.44Å; L290-F299 HydrophobicContact CD1-CZ 3.82Å; L290-V319 HydrophobicContact CD1-CB 4.39Å; L290-V319 HydrophobicContact CD1-CG1 4.24Å; L290-V319 HydrophobicContact CD1-CG2 4.38Å
291R95.1Very high94.1Very high64 Ų6445.5 Ų45.524%0.24225%0.248CC..Hα-helixtrans-59.6-45.1171.3-73.8178.7176.1-85.710.8111.9E287 L293 G294 M295 T296 F299 E300E287-R291 HydrophobicContact CG-CG 4.35Å; E287-R291 WeakPolarHBondContact O-CB 3.34Å; E287-R291 VanDerWaalsContact O-CG 3.3Å; E287-R291 WeakPolarHBondContact O-CG 3.49Å; E287-R291 PolarHBondContact O-N 3.5Å; E287-R291 IonicContact OE1-CZ 2.97Å; E287-R291 IonicContact OE1-NE 3.29Å; E287-R291 PolarHBondContact OE1-NE 2.81Å; E287-R291 IonicContact OE1-NH2 3.01Å; E287-R291 PolarHBondContact OE1-NH2 2.97Å; R291-L293 PolarHBondContact O-N 3.2Å; R291-G294 WeakPolarHBondContact O-CA 3.31Å; R291-G294 PolarHBondContact O-N 3.24Å; R291-M295 WeakPolarHBondContact CA-O 3.18Å; R291-T296 PolarHBondContact NH1-O 3.11Å; R291-F299 HydrophobicContact CG-CD2 3.92Å; R291-F299 HydrophobicContact CG-CE2 4.38Å; R291-F299 HydrophobicContact CG-CG 4.49Å; R291-F299 PolarHBondContact NH2-O 3.1Å; R291-E300 IonicContact NH1-OE1 2.69Å; R291-E300 PolarHBondContact NH1-OE1 2.98Å
292N93.1Very high94.1Very high119 Ų11944.5 Ų44.564%0.63626%0.262SS*.Hα-helixtrans-63.2-28.3176.5-75.2-27.7000113.1S288 V289 G294S288-N292 WeakPolarHBondContact O-CB 3.29Å; S288-N292 PolarHBondContact O-N 3.26Å; S288-N292 PolarHBondContact O-ND2 2.84Å; V289-N292 WeakPolarHBondContact O-CB 3.22Å; V289-N292 PolarHBondContact O-N 3.48Å; N292-G294 VanDerWaalsContact C-N 3.29Å
293L92.7Very high94.3Very high49 Ų4947.9 Ų47.926%0.25728%0.276SS..THydrogen-bonded Turntrans-80.3-8.7173.3-70.1171.9000113.1L19 T22 I60 V289 L290 R291L19-L293 HydrophobicContact CD1-CD1 4.45Å; T22-L293 WeakPolarHBondContact OG1-CD2 3.21Å; I60-L293 HydrophobicContact CD1-CB 4.19Å; I60-L293 WeakPolarHBondContact CD1-O 3.25Å; I60-L293 HydrophobicContact CG1-CB 4.26Å; I60-L293 WeakPolarHBondContact CG1-O 3.26Å; I60-L293 HydrophobicContact CG2-CB 4.12Å; I60-L293 HydrophobicContact CG2-CD1 4.29Å; V289-L293 HydrophobicContact CG1-CD1 4.33Å; V289-L293 WeakPolarHBondContact O-CG 3.23Å; V289-L293 PolarHBondContact O-N 3.23Å; L290-L293 CarbonylContact O-C 3.59Å; L290-L293 PolarHBondContact O-N 3.15Å; L290-L293 VanDerWaalsContact O-N 3.17Å; R291-L293 PolarHBondContact O-N 3.2Å
294G94.9Very high94.5Very high34 Ų3445.5 Ų45.535%0.35126%0.26SS..THydrogen-bonded Turntrans110.55.3176.400000115.5L290 R291 N292 T296L290-G294 PolarHBondContact O-N 3.15Å; L290-G294 VanDerWaalsContact O-N 3.16Å; R291-G294 WeakPolarHBondContact O-CA 3.31Å; R291-G294 PolarHBondContact O-N 3.24Å; N292-G294 VanDerWaalsContact C-N 3.29Å; G294-T296 PolarHBondContact O-N 2.98Å
295M96.1Very high94.7Very high0 Ų046.9 Ų46.90%027%0.269CS..  trans-88.678.1177.3-168.7-179.5-60.100108.1M57 I60 L290 R291 A298 F299M57-M295 HydrophobicContact CB-CE 4.26Å; M57-M295 HydrophobicContact CE-CE 4.3Å; M57-M295 HydrophobicContact CE-SD 4.29Å; M57-M295 HydrophobicContact CG-CE 3.8Å; M57-M295 HydrophobicContact CG-CG 4.12Å; M57-M295 HydrophobicContact CG-SD 3.9Å; I60-M295 HydrophobicContact CB-CE 4.43Å; I60-M295 HydrophobicContact CD1-CB 3.45Å; I60-M295 VanDerWaalsContact CD1-CB 3.45Å; I60-M295 HydrophobicContact CD1-CE 4.35Å; I60-M295 HydrophobicContact CG2-CE 4.34Å; L290-M295 HydrophobicContact CB-CB 4.09Å; L290-M295 HydrophobicContact CB-SD 4.25Å; L290-M295 HydrophobicContact CD1-SD 4.27Å; L290-M295 HydrophobicContact CD2-CE 4.13Å; L290-M295 WeakPolarHBondContact O-CB 3.15Å; L290-M295 PolarHBondContact O-N 3.35Å; R291-M295 WeakPolarHBondContact CA-O 3.18Å; M295-A298 HydrophobicContact CG-CB 3.82Å; M295-A298 HydrophobicContact SD-CB 4.21Å; M295-F299 HydrophobicContact CB-CE2 4.31Å; M295-F299 HydrophobicContact CG-CE2 3.98Å; M295-F299 WeakPolarHBondContact O-CD2 3.4Å; M295-F299 WeakPolarHBondContact O-CE2 3.3Å; M295-F299 HydrophobicContact SD-CE2 3.99Å; M295-F299 HydrophobicContact SD-CZ 4.45Å
296T97.1Very high95Very high44 Ų4443.9 Ų43.927%0.2725%0.252SS..  trans-95-44.5-175.653.60000112.3Q56 R291 G294 A298 F299Q56-T296 PolarHBondContact NE2-OG1 3.35Å; Q56-T296 VanDerWaalsContact OE1-N 3.09Å; R291-T296 PolarHBondContact NH1-O 3.11Å; G294-T296 PolarHBondContact O-N 2.98Å; T296-A298 VanDerWaalsContact C-N 3.31Å; T296-A298 PolarHBondContact O-N 2.97Å; T296-F299 PolarHBondContact O-N 3Å
297D98Very high95Very high19 Ų1946.8 Ų46.810%0.10227%0.273CS..G310 helixtrans-66.5-37.2-168.4-69.323.3000111.2N52 Q56 F299 E300 K303 A304N52-D297 PolarHBondContact ND2-OD2 3.46Å; Q56-D297 VanDerWaalsContact NE2-CG 3.34Å; Q56-D297 PolarHBondContact NE2-OD1 3.02Å; Q56-D297 PolarHBondContact OE1-OD1 3.28Å; D297-F299 PolarHBondContact O-N 2.82Å; D297-E300 PolarHBondContact O-N 3.49Å; D297-K303 HydrophobicContact CB-CB 4.19Å; D297-A304 VanDerWaalsContact O-CA 3.23Å; D297-A304 WeakPolarHBondContact O-CA 3.35Å; D297-A304 VanDerWaalsContact O-CB 3.22Å; D297-A304 WeakPolarHBondContact O-CB 3.09Å; D297-A304 PolarHBondContact O-N 2.97Å
298A97.4Very high95.1Very high0 Ų045.2 Ų45.20%027%0.271CS..G310 helixtrans-53.2-26178.300000113.9T53 M295 T296 F306 L316T53-A298 HydrophobicContact CG2-CB 4Å; M295-A298 HydrophobicContact CG-CB 3.82Å; M295-A298 HydrophobicContact SD-CB 4.21Å; T296-A298 VanDerWaalsContact C-N 3.31Å; T296-A298 PolarHBondContact O-N 2.97Å; A298-F306 HydrophobicContact CB-CE2 4.45Å; A298-F306 HydrophobicContact CB-CZ 3.86Å; A298-F306 WeakPolarHBondContact O-CE2 3.47Å; A298-L316 HydrophobicContact CB-CD1 4.23Å; A298-L316 WeakPolarHBondContact O-CB 3.33Å; A298-L316 PolarHBondContact O-N 3.31Å
299F96.9Very high95.3Very high12 Ų1241.8 Ų41.85%0.05325%0.247CC..G310 helixtrans-106.74.1-177.2-58.9-86.5000113E287 L290 R291 M295 T296 D297 L316 V319E287-F299 HydrophobicContact CB-CD1 4.04Å; E287-F299 HydrophobicContact CB-CE1 3.8Å; E287-F299 HydrophobicContact CB-CZ 4.36Å; E287-F299 HydrophobicContact CG-CB 4.45Å; E287-F299 HydrophobicContact CG-CD1 3.58Å; E287-F299 HydrophobicContact CG-CD2 4.5Å; E287-F299 HydrophobicContact CG-CE1 3.83Å; E287-F299 HydrophobicContact CG-CG 3.95Å; E287-F299 HydrophobicContact CG-CZ 4.41Å; L290-F299 HydrophobicContact CB-CE2 3.86Å; L290-F299 HydrophobicContact CB-CZ 3.98Å; L290-F299 HydrophobicContact CD1-CE2 4.44Å; L290-F299 HydrophobicContact CD1-CZ 3.82Å; R291-F299 HydrophobicContact CG-CD2 3.92Å; R291-F299 HydrophobicContact CG-CE2 4.38Å; R291-F299 HydrophobicContact CG-CG 4.49Å; R291-F299 PolarHBondContact NH2-O 3.1Å; M295-F299 HydrophobicContact CB-CE2 4.31Å; M295-F299 HydrophobicContact CG-CE2 3.98Å; M295-F299 WeakPolarHBondContact O-CD2 3.4Å; M295-F299 WeakPolarHBondContact O-CE2 3.3Å; M295-F299 HydrophobicContact SD-CE2 3.99Å; M295-F299 HydrophobicContact SD-CZ 4.45Å; T296-F299 PolarHBondContact O-N 3Å; D297-F299 PolarHBondContact O-N 2.82Å; F299-L316 HydrophobicContact CD1-CB 3.74Å; F299-L316 WeakPolarHBondContact CD1-O 3.46Å; F299-L316 HydrophobicContact CE1-CB 3.87Å; F299-L316 HydrophobicContact CE1-CD1 4.1Å; F299-L316 HydrophobicContact CG-CB 4.44Å; F299-L316 HydrophobicContact CZ-CD1 4.15Å; F299-V319 HydrophobicContact CE1-CG2 3.77Å; F299-V319 HydrophobicContact CZ-CG2 4.01Å
300E95.3Very high95.3Very high56 Ų5641.1 Ų41.126%0.26224%0.243SC..SBendtrans-113.2112.5-176.8-74.7179.1-153.300111R291 D297 G302 K303 A304R291-E300 IonicContact NH1-OE1 2.69Å; R291-E300 PolarHBondContact NH1-OE1 2.98Å; D297-E300 PolarHBondContact O-N 3.49Å; E300-G302 PolarHBondContact O-N 3.19Å; E300-K303 HydrophobicContact CB-CB 4.14Å; E300-K303 HydrophobicContact CB-CD 4.39Å; E300-K303 HydrophobicContact CB-CG 4.44Å; E300-K303 PolarHBondContact O-N 2.64Å; E300-K303 VanDerWaalsContact OE2-CD 3.26Å; E300-K303 WeakPolarHBondContact OE2-CD 3.39Å; E300-K303 WeakPolarHBondContact OE2-CE 3.47Å; E300-K303 IonicContact OE2-NZ 3.93Å; E300-K303 PolarHBondContact OE2-NZ 2.95Å; E300-A304 WeakPolarHBondContact O-CB 3.26Å; E300-A304 PolarHBondContact O-N 2.85Å
301L89.4Confident95Very high124 Ų12448.2 Ų48.265%0.64928%0.276SS*.THydrogen-bonded Turntrans-60126.3175.2-169.768.2000109.8D313L301-D313 HydrophobicContact CD1-CB 4.44Å
302G90.8Very high94.9Very high67 Ų6747.8 Ų47.869%0.69128%0.281SS*.THydrogen-bonded Turntrans91.7-9.7-17600000115.3E300E300-G302 PolarHBondContact O-N 3.19Å
303K96.1Very high94.8Very high118 Ų11848.1 Ų48.151%0.51328%0.283SS..THydrogen-bonded Turntrans-111.5-34.8166.3-65.5-170.1-169.8160.50112.6T53 D297 E300 D305T53-K303 PolarHBondContact OG1-O 2.95Å; D297-K303 HydrophobicContact CB-CB 4.19Å; E300-K303 HydrophobicContact CB-CB 4.14Å; E300-K303 HydrophobicContact CB-CD 4.39Å; E300-K303 HydrophobicContact CB-CG 4.44Å; E300-K303 PolarHBondContact O-N 2.64Å; E300-K303 VanDerWaalsContact OE2-CD 3.26Å; E300-K303 WeakPolarHBondContact OE2-CD 3.39Å; E300-K303 WeakPolarHBondContact OE2-CE 3.47Å; E300-K303 IonicContact OE2-NZ 3.93Å; E300-K303 PolarHBondContact OE2-NZ 2.95Å; K303-D305 PolarHBondContact O-N 2.83Å
304A97.4Very high94.8Very high14 Ų1446 Ų4612%0.11627%0.271CS..  trans-55.5122174.300000109.8T53 D297 E300 F306 L314T53-A304 WeakPolarHBondContact OG1-CA 3.12Å; D297-A304 VanDerWaalsContact O-CA 3.23Å; D297-A304 WeakPolarHBondContact O-CA 3.35Å; D297-A304 VanDerWaalsContact O-CB 3.22Å; D297-A304 WeakPolarHBondContact O-CB 3.09Å; D297-A304 PolarHBondContact O-N 2.97Å; E300-A304 WeakPolarHBondContact O-CB 3.26Å; E300-A304 PolarHBondContact O-N 2.85Å; A304-F306 HydrophobicContact CB-CD2 3.95Å; A304-F306 HydrophobicContact CB-CE2 3.9Å; A304-L314 WeakPolarHBondContact CB-O 3.4Å
305D97.3Very high94.9Very high56 Ų5645 Ų4530%0.29926%0.259SS..  trans-109.788.6173.6-174.7-6.4000108.6A49 K50 T53 K303 S307A49-D305 CarbonylContact C-O 3.5Å; A49-D305 VanDerWaalsContact CA-O 3.29Å; A49-D305 WeakPolarHBondContact CA-O 3.42Å; K50-D305 HydrophobicContact CB-CB 4.48Å; K50-D305 WeakPolarHBondContact CB-OD2 3.31Å; K50-D305 PolarHBondContact N-O 3.31Å; T53-D305 PolarHBondContact OG1-N 3.3Å; K303-D305 PolarHBondContact O-N 2.83Å; D305-S307 VanDerWaalsContact OD1-CB 3.29Å; D305-S307 WeakPolarHBondContact OD1-CB 2.89Å; D305-S307 PolarHBondContact OD1-N 2.83Å; D305-S307 PolarHBondContact OD1-OG 3.31Å
306F97Very high94.9Very high5 Ų545 Ų452%0.02226%0.259CS..  trans-107.532.8172.3-64.9-57.7000111.9V45 G48 A49 T53 M57 A298 A304 G308 M309 S310 L314 L316V45-F306 HydrophobicContact CG1-CD1 4.44Å; V45-F306 HydrophobicContact CG1-CE1 3.52Å; V45-F306 HydrophobicContact CG1-CZ 3.82Å; G48-F306 CarbonylContact O-C 3.46Å; G48-F306 WeakPolarHBondContact O-CA 3.34Å; A49-F306 HydrophobicContact CB-CD1 4.03Å; A49-F306 HydrophobicContact CB-CE1 3.91Å; T53-F306 HydrophobicContact CG2-CD1 4.48Å; T53-F306 HydrophobicContact CG2-CE1 3.81Å; T53-F306 HydrophobicContact CG2-CZ 3.87Å; M57-F306 HydrophobicContact SD-CE1 4.38Å; A298-F306 HydrophobicContact CB-CE2 4.45Å; A298-F306 HydrophobicContact CB-CZ 3.86Å; A298-F306 WeakPolarHBondContact O-CE2 3.47Å; A304-F306 HydrophobicContact CB-CD2 3.95Å; A304-F306 HydrophobicContact CB-CE2 3.9Å; F306-G308 PolarHBondContact O-N 3.47Å; F306-M309 HydrophobicContact CB-CB 4.44Å; F306-M309 HydrophobicContact CB-CG 4.16Å; F306-M309 HydrophobicContact CB-SD 4.07Å; F306-M309 HydrophobicContact CD1-CE 3.6Å; F306-M309 HydrophobicContact CD1-SD 4.07Å; F306-M309 HydrophobicContact CE1-CE 4.02Å; F306-M309 HydrophobicContact CG-CE 4.28Å; F306-M309 HydrophobicContact CG-SD 4.15Å; F306-M309 WeakPolarHBondContact O-CB 3.3Å; F306-M309 PolarHBondContact O-N 2.66Å; F306-S310 PolarHBondContact O-N 2.59Å; F306-L314 HydrophobicContact CB-CB 4.11Å; F306-L314 HydrophobicContact CD2-CB 4.26Å; F306-L314 WeakPolarHBondContact CD2-O 3.26Å; F306-L316 HydrophobicContact CE2-CG 4.2Å; F306-L316 HydrophobicContact CZ-CD1 4.41Å; F306-L316 HydrophobicContact CZ-CG 4.04Å
307S96.2Very high94.8Very high61 Ų6144.4 Ų44.443%0.42726%0.257SS..THydrogen-bonded Turntrans-59.6-17.4176.956.30000113.7K50 D305 M309 S310K50-S307 WeakPolarHBondContact CG-OG 3.33Å; D305-S307 VanDerWaalsContact OD1-CB 3.29Å; D305-S307 WeakPolarHBondContact OD1-CB 2.89Å; D305-S307 PolarHBondContact OD1-N 2.83Å; D305-S307 PolarHBondContact OD1-OG 3.31Å; S307-M309 VanDerWaalsContact C-N 3.3Å; S307-S310 WeakPolarHBondContact CA-O 3.4Å
308G95.3Very high94.7Very high20 Ų2044.8 Ų44.821%0.20626%0.258CS..THydrogen-bonded Turntrans-76.6-11170.100000114.7G48 F306G48-G308 VanDerWaalsContact O-CA 3.25Å; G48-G308 WeakPolarHBondContact O-CA 3.41Å; G48-G308 PolarHBondContact O-N 3.29Å; F306-G308 PolarHBondContact O-N 3.47Å
309M95.5Very high94.6Very high0 Ų045.1 Ų45.10%026%0.259CS..THydrogen-bonded Turntrans-103.5-39.8177.6-55.8-172.8-178.600112.8V45 F106 L107 F110 L165 F306 S307 L314V45-M309 VanDerWaalsContact CA-CE 3.47Å; V45-M309 HydrophobicContact CB-CE 4.15Å; V45-M309 HydrophobicContact CG1-CE 3.85Å; V45-M309 WeakPolarHBondContact O-CE 3.45Å; F106-M309 CarbonylContact C-O 3.58Å; F106-M309 WeakPolarHBondContact CA-O 3.5Å; F106-M309 HydrophobicContact CD1-CB 4.33Å; L107-M309 PolarHBondContact N-O 3.12Å; F110-M309 HydrophobicContact CD1-CB 4.18Å; F110-M309 HydrophobicContact CD1-CG 4.22Å; F110-M309 HydrophobicContact CD2-CG 4.06Å; F110-M309 HydrophobicContact CE1-CB 4.26Å; F110-M309 HydrophobicContact CE1-CG 3.93Å; F110-M309 HydrophobicContact CE1-SD 4.17Å; F110-M309 HydrophobicContact CE2-CE 4.1Å; F110-M309 HydrophobicContact CE2-CG 3.77Å; F110-M309 HydrophobicContact CE2-SD 4.42Å; F110-M309 HydrophobicContact CG-CB 4.35Å; F110-M309 HydrophobicContact CG-CG 4.29Å; F110-M309 HydrophobicContact CZ-CE 3.81Å; F110-M309 HydrophobicContact CZ-CG 3.71Å; F110-M309 HydrophobicContact CZ-SD 3.87Å; L165-M309 HydrophobicContact CD2-SD 3.85Å; F306-M309 HydrophobicContact CB-CB 4.44Å; F306-M309 HydrophobicContact CB-CG 4.16Å; F306-M309 HydrophobicContact CB-SD 4.07Å; F306-M309 HydrophobicContact CD1-CE 3.6Å; F306-M309 HydrophobicContact CD1-SD 4.07Å; F306-M309 HydrophobicContact CE1-CE 4.02Å; F306-M309 HydrophobicContact CG-CE 4.28Å; F306-M309 HydrophobicContact CG-SD 4.15Å; F306-M309 WeakPolarHBondContact O-CB 3.3Å; F306-M309 PolarHBondContact O-N 2.66Å; S307-M309 VanDerWaalsContact C-N 3.3Å; M309-L314 HydrophobicContact CB-CD1 4.26Å
310S94.9Very high94.5Very high2 Ų244.8 Ų44.81%0.01426%0.258CS..BIsolated β-bridgetrans-150.2156.8-171.4176.80000111.3C104 D105 F306 S307 T312C104-S310 VanDerWaalsContact O-CB 3.25Å; C104-S310 WeakPolarHBondContact O-CB 3.35Å; C104-S310 PolarHBondContact O-OG 3.41Å; D105-S310 PolarHBondContact O-OG 3.1Å; F306-S310 PolarHBondContact O-N 2.59Å; S307-S310 WeakPolarHBondContact CA-O 3.4Å; S310-T312 VanDerWaalsContact C-N 3.35Å; S310-T312 PolarHBondContact OG-N 3.29Å
311Q89.4Confident94.5Very high149 Ų14942.1 Ų42.170%0.69625%0.246SC*.SBendtrans-80.7-16.6167.4-60.7-58.4-51.700113L107L107-Q311 HydrophobicContact CD2-CG 4.3Å
312T91.4Very high94.7Very high55 Ų5537.2 Ų37.234%0.33722%0.22SC..SBendtrans-86.8144.8173.9-48.10000110.2S310 L314S310-T312 VanDerWaalsContact C-N 3.35Å; S310-T312 PolarHBondContact OG-N 3.29Å; T312-L314 PolarHBondContact O-N 2.83Å
313D90.9Very high94.7Very high126 Ų12634 Ų3467%0.67419%0.187SC*.  trans-58.8126.8171.7-70.4-15000110.6L301L301-D313 HydrophobicContact CD1-CB 4.44Å
314L94.3Very high94.4Very high3 Ų328.6 Ų28.62%0.01616%0.163CC..  trans-130.1149.3-176.1-79.5176.3000110.2C104 F106 R164 A304 F306 M309 T312C104-L314 HydrophobicContact CB-CD2 3.73Å; C104-L314 HydrophobicContact CB-CG 4.47Å; F106-L314 HydrophobicContact CD1-CD1 4.13Å; F106-L314 HydrophobicContact CE1-CD1 3.38Å; F106-L314 HydrophobicContact CE1-CD2 4.4Å; F106-L314 HydrophobicContact CZ-CD1 4.06Å; F106-L314 HydrophobicContact CZ-CD2 4.27Å; R164-L314 HydrophobicContact CB-CD2 3.99Å; A304-L314 WeakPolarHBondContact CB-O 3.4Å; F306-L314 HydrophobicContact CB-CB 4.11Å; F306-L314 HydrophobicContact CD2-CB 4.26Å; F306-L314 WeakPolarHBondContact CD2-O 3.26Å; M309-L314 HydrophobicContact CB-CD1 4.26Å; T312-L314 PolarHBondContact O-N 2.83Å
315S96Very high94.1Very high13 Ų1327.9 Ų27.99%0.09116%0.157CC..  trans-137.4155.7162.362.80000109.4S317S315-S317 PolarHBondContact O-N 3.41Å
316L96.3Very high93.8Very high1 Ų127.3 Ų27.31%0.00515%0.153CC..  trans-65.1116.6166.8-76.6177.3000108.3V45 L165 A298 F299 F306 V319V45-L316 HydrophobicContact CG1-CD1 3.95Å; V45-L316 HydrophobicContact CG1-CD2 4.23Å; V45-L316 HydrophobicContact CG1-CG 4.23Å; V45-L316 HydrophobicContact CG2-CD2 4.11Å; L165-L316 HydrophobicContact CD2-CD2 3.72Å; L165-L316 HydrophobicContact CG-CD2 3.95Å; A298-L316 HydrophobicContact CB-CD1 4.23Å; A298-L316 WeakPolarHBondContact O-CB 3.33Å; A298-L316 PolarHBondContact O-N 3.31Å; F299-L316 HydrophobicContact CD1-CB 3.74Å; F299-L316 WeakPolarHBondContact CD1-O 3.46Å; F299-L316 HydrophobicContact CE1-CB 3.87Å; F299-L316 HydrophobicContact CE1-CD1 4.1Å; F299-L316 HydrophobicContact CG-CB 4.44Å; F299-L316 HydrophobicContact CZ-CD1 4.15Å; F306-L316 HydrophobicContact CE2-CG 4.2Å; F306-L316 HydrophobicContact CZ-CD1 4.41Å; F306-L316 HydrophobicContact CZ-CG 4.04Å; L316-V319 HydrophobicContact CD1-CG2 3.84Å; L316-V319 HydrophobicContact CD2-CG2 4.4Å
317S95.9Very high93.7Very high32 Ų3227.2 Ų27.222%0.22415%0.152CC..  trans-86.6-29.4175.7-480000111.5R164 L165 S315R164-S317 PolarHBondContact N-OG 3.06Å; L165-S317 PolarHBondContact N-OG 2.92Å; L165-S317 WeakPolarHBondContact O-CB 3.28Å; L165-S317 PolarHBondContact O-N 2.82Å; S315-S317 PolarHBondContact O-N 3.41Å
318K94.7Very high93.6Very high27 Ų2725 Ų2512%0.11714%0.136CC..EExtended strand (participates in β ladder)trans-158.9142.8179.4-155.8-179.4-169.2740112L154 S158 V159 L165 V166 L167 D285 V320L154-K318 HydrophobicContact CD2-CD 3.91Å; S158-K318 WeakPolarHBondContact O-CD 3.5Å; S158-K318 WeakPolarHBondContact O-CE 3.34Å; S158-K318 PolarHBondContact O-NZ 3.42Å; V159-K318 HydrophobicContact CG1-CD 4.43Å; L165-K318 PolarHBondContact O-N 2.83Å; V166-K318 WeakPolarHBondContact CA-O 3.34Å; V166-K318 HydrophobicContact CG1-CB 4.23Å; V166-K318 HydrophobicContact CG2-CB 4.23Å; L167-K318 PolarHBondContact N-O 3.24Å; D285-K318 WeakPolarHBondContact OD2-CE 3.4Å; D285-K318 IonicContact OD2-NZ 3.75Å; D285-K318 PolarHBondContact OD2-NZ 3.29Å; K318-V320 HydrophobicContact CD-CG2 3.64Å; K318-V320 HydrophobicContact CG-CG2 3.75Å
319V96.3Very high93.6Very high6 Ų624.3 Ų24.34%0.03613%0.127CC..EExtended strand (participates in β ladder)trans-129.5116.7169.2-178.60000107.5L42 L167 M286 L290 F299 L316L42-V319 HydrophobicContact CD2-CG1 4.49Å; L167-V319 HydrophobicContact CB-CG1 4.27Å; L167-V319 HydrophobicContact CB-CG2 4.13Å; L167-V319 HydrophobicContact CD2-CG1 3.94Å; L167-V319 HydrophobicContact CD2-CG2 4.46Å; L167-V319 HydrophobicContact CG-CG1 4.33Å; L167-V319 WeakPolarHBondContact O-CA 3.4Å; M286-V319 HydrophobicContact CB-CB 3.93Å; M286-V319 HydrophobicContact CB-CG1 3.74Å; M286-V319 WeakPolarHBondContact CB-O 3.5Å; M286-V319 HydrophobicContact CG-CG1 4.3Å; M286-V319 PolarHBondContact N-O 3.48Å; L290-V319 HydrophobicContact CD1-CB 4.39Å; L290-V319 HydrophobicContact CD1-CG1 4.24Å; L290-V319 HydrophobicContact CD1-CG2 4.38Å; F299-V319 HydrophobicContact CE1-CG2 3.77Å; F299-V319 HydrophobicContact CZ-CG2 4.01Å; L316-V319 HydrophobicContact CD1-CG2 3.84Å; L316-V319 HydrophobicContact CD2-CG2 4.4Å
320V94.9Very high93.1Very high5 Ų525 Ų253%0.0313%0.13CC..EExtended strand (participates in β ladder)trans-117.8125.6-179.3-170.90000109.8L153 L154 L167 N169 Y284 K318L153-V320 HydrophobicContact CD1-CG1 3.74Å; L153-V320 HydrophobicContact CD2-CB 4.43Å; L153-V320 HydrophobicContact CD2-CG1 4.4Å; L153-V320 HydrophobicContact CG-CB 4.38Å; L153-V320 HydrophobicContact CG-CG1 3.85Å; L154-V320 HydrophobicContact CD2-CB 4.46Å; L154-V320 HydrophobicContact CD2-CG2 3.69Å; L167-V320 PolarHBondContact O-N 2.84Å; N169-V320 PolarHBondContact N-O 3Å; Y284-V320 WeakPolarHBondContact O-CA 3.33Å; K318-V320 HydrophobicContact CD-CG2 3.64Å; K318-V320 HydrophobicContact CG-CG2 3.75Å
321H94.8Very high92.3Very high1 Ų124.9 Ų24.91%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-109.7128.4170-178.354.9000110.1F33 S34 M38 N169 S283 Y284 M286F33-H321 VanDerWaalsContact CA-NE2 3.35Å; F33-H321 WeakPolarHBondContact CA-NE2 3.19Å; F33-H321 VanDerWaalsContact CB-CD2 3.49Å; F33-H321 WeakPolarHBondContact CB-CD2 3.45Å; F33-H321 VanDerWaalsContact CB-NE2 3.31Å; F33-H321 WeakPolarHBondContact CB-NE2 3.29Å; S34-H321 PolarHBondContact N-NE2 2.95Å; M38-H321 HydrophobicContact CE-CB 4.35Å; M38-H321 HydrophobicContact CG-CB 4.23Å; M38-H321 HydrophobicContact SD-CB 4.06Å; M38-H321 PolarHBondContact SD-CD2 3.03Å; M38-H321 VanDerWaalsContact SD-CG 3.58Å; N169-H321 VanDerWaalsContact O-CA 3.29Å; N169-H321 WeakPolarHBondContact O-CA 3.4Å; N169-H321 PolarHBondContact O-ND1 3.2Å; N169-H321 PolarHBondContact OD1-CE1 3.25Å; N169-H321 PolarHBondContact OD1-ND1 2.9Å; S283-H321 WeakPolarHBondContact CA-O 3.41Å; Y284-H321 AromaticContact CD2-CD2 3.91Å; Y284-H321 PolarHBondContact N-O 3.46Å; Y284-H321 PolarHBondContact O-N 2.75Å; M286-H321 HydrophobicContact CG-CB 3.95Å; M286-H321 HydrophobicContact SD-CB 4.44Å
322K93.4Very high91.1Very high21 Ų2118 Ų189%0.09110%0.098CC..EExtended strand (participates in β ladder)trans-134.6131.7170.2-171.9160.2174.4173.60110.9I150 E152 L153 N169 A170 V171 E281 E282I150-K322 HydrophobicContact CD1-CB 4.34Å; I150-K322 HydrophobicContact CD1-CG 4.02Å; I150-K322 HydrophobicContact CG1-CG 4.35Å; I150-K322 HydrophobicContact CG2-CB 4.48Å; I150-K322 HydrophobicContact CG2-CD 3.58Å; I150-K322 HydrophobicContact CG2-CG 4.01Å; E152-K322 PolarHBondContact O-NZ 3Å; L153-K322 HydrophobicContact CD1-CB 3.27Å; L153-K322 HydrophobicContact CD1-CD 4Å; L153-K322 HydrophobicContact CD1-CG 4.22Å; N169-K322 PolarHBondContact O-N 3Å; A170-K322 WeakPolarHBondContact CA-O 3.41Å; V171-K322 PolarHBondContact N-O 3.19Å; V171-K322 VanDerWaalsContact N-O 3.09Å; E281-K322 WeakPolarHBondContact OE1-CE 3.45Å; E281-K322 IonicContact OE1-NZ 3.55Å; E281-K322 PolarHBondContact OE1-NZ 3.13Å; E282-K322 WeakPolarHBondContact O-CA 3.43Å; E282-K322 WeakPolarHBondContact O-CG 3.12Å
323S91.4Very high88.5Confident0 Ų018 Ų180%09%0.094CC..EExtended strand (participates in β ladder)trans-130149.3-173.663.10000109.6F32 E281 E282F32-S323 WeakPolarHBondContact CD1-OG 3.43Å; F32-S323 PolarHBondContact O-OG 3.14Å; E281-S323 WeakPolarHBondContact CA-O 3.32Å; E282-S323 PolarHBondContact N-O 2.83Å; E282-S323 VanDerWaalsContact N-O 3.12Å; E282-S323 PolarHBondContact O-N 3.05Å
324F89.6Confident86Confident3 Ų314 Ų141%0.0138%0.079CC..EExtended strand (participates in β ladder)trans-138.4132.8179.1-178.8-80.2000110.1K149 V171 Y172 K279 L280 E281 E326K149-F324 HydrophobicContact CD-CE1 4.31Å; K149-F324 HydrophobicContact CD-CZ 4.23Å; V171-F324 PolarHBondContact O-N 3.38Å; Y172-F324 AromaticContact CD2-CD1 3.9Å; Y172-F324 HydrophobicContact CD2-CD1 3.9Å; Y172-F324 AromaticContact CE2-CD1 3.94Å; Y172-F324 HydrophobicContact CE2-CD1 3.94Å; Y172-F324 HydrophobicContact CE2-CE1 4.22Å; K279-F324 HydrophobicContact CD-CE2 4.26Å; K279-F324 HydrophobicContact CD-CZ 4.07Å; K279-F324 HydrophobicContact CG-CE2 4.24Å; K279-F324 HydrophobicContact CG-CZ 4.09Å; L280-F324 WeakPolarHBondContact O-CA 3.41Å; E281-F324 HydrophobicContact CB-CD2 4.07Å; E281-F324 HydrophobicContact CG-CD2 4.18Å; F324-E326 HydrophobicContact CE1-CB 3.97Å; F324-E326 HydrophobicContact CZ-CB 4.41Å
325V89.8Confident82.8Confident0 Ų017 Ų170%010%0.104CC..EExtended strand (participates in β ladder)trans-140.8145.7168.964.50000110.6F32 F278 K279 L280 V327 T332 F361F32-V325 HydrophobicContact CD1-CB 4.22Å; F32-V325 HydrophobicContact CD1-CG1 3.7Å; F32-V325 HydrophobicContact CD2-CG1 3.86Å; F32-V325 HydrophobicContact CE1-CB 3.51Å; F32-V325 HydrophobicContact CE1-CG1 3.5Å; F32-V325 VanDerWaalsContact CE1-CG1 3.5Å; F32-V325 HydrophobicContact CE2-CB 4.01Å; F32-V325 HydrophobicContact CE2-CG1 3.64Å; F32-V325 HydrophobicContact CG-CG1 3.89Å; F32-V325 HydrophobicContact CZ-CB 3.39Å; F32-V325 HydrophobicContact CZ-CG1 3.47Å; F32-V325 VanDerWaalsContact CZ-CG1 3.47Å; F32-V325 HydrophobicContact CZ-CG2 4.2Å; F278-V325 HydrophobicContact CE2-CG1 4.45Å; K279-V325 CarbonylContact C-O 3.54Å; K279-V325 WeakPolarHBondContact CA-O 2.95Å; L280-V325 HydrophobicContact CB-CG1 3.94Å; L280-V325 HydrophobicContact CG-CG1 4.47Å; L280-V325 PolarHBondContact N-O 3.37Å; L280-V325 PolarHBondContact O-N 3.44Å; V325-V327 HydrophobicContact CG2-CG2 4.15Å; V325-T332 HydrophobicContact CG2-CG2 4.16Å; V325-F361 HydrophobicContact CG1-CZ 4.35Å
326E92.1Very high79.7Confident44 Ų4420.2 Ų20.221%0.20613%0.131CC..EExtended strand (participates in β ladder)trans-133.5119.3174.4-180168.6-174.800108.8F278 F324 T332F278-E326 CarbonylContact O-C 3.58Å; F278-E326 WeakPolarHBondContact O-CA 3.3Å; F324-E326 HydrophobicContact CE1-CB 3.97Å; F324-E326 HydrophobicContact CZ-CB 4.41Å; E326-T332 WeakPolarHBondContact O-CA 3.25Å; E326-T332 WeakPolarHBondContact O-CB 3.4Å; E326-T332 WeakPolarHBondContact O-CG2 3.47Å
327V94.8Very high76.6Confident2 Ų224.2 Ų24.21%0.01217%0.165CC..EExtended strand (participates in β ladder)trans-107.9121.9-179.5174.60000109W177 M204 M234 L275 R277 F278 V325W177-V327 HydrophobicContact CZ2-CG1 3.99Å; M204-V327 HydrophobicContact CE-CG1 3.93Å; M234-V327 HydrophobicContact CE-CG2 3.86Å; L275-V327 HydrophobicContact CD2-CG1 4.17Å; R277-V327 WeakPolarHBondContact CA-O 3.11Å; F278-V327 HydrophobicContact CD1-CB 4.1Å; F278-V327 HydrophobicContact CD1-CG1 4.46Å; F278-V327 HydrophobicContact CD2-CB 4.28Å; F278-V327 HydrophobicContact CD2-CG2 4.24Å; F278-V327 HydrophobicContact CE1-CB 3.82Å; F278-V327 HydrophobicContact CE1-CG1 4Å; F278-V327 HydrophobicContact CE1-CG2 3.95Å; F278-V327 HydrophobicContact CE2-CB 4.05Å; F278-V327 HydrophobicContact CE2-CG2 3.57Å; F278-V327 HydrophobicContact CG-CB 4.33Å; F278-V327 HydrophobicContact CZ-CB 3.81Å; F278-V327 HydrophobicContact CZ-CG1 4.31Å; F278-V327 HydrophobicContact CZ-CG2 3.41Å; F278-V327 VanDerWaalsContact CZ-CG2 3.41Å; F278-V327 PolarHBondContact N-O 3.32Å; F278-V327 VanDerWaalsContact N-O 3.16Å; F278-V327 PolarHBondContact O-N 3.21Å; V325-V327 HydrophobicContact CG2-CG2 4.15Å
328N94.4Very high73.4Confident16 Ų1629.8 Ų29.89%0.08620%0.197CC..BIsolated β-bridgetrans-145.8-172-179.568.133.6000111.4W177 E330 G331W177-N328 PolarHBondContact NE1-O 3.08Å; N328-E330 VanDerWaalsContact C-N 3.28Å; N328-E330 PolarHBondContact O-N 3.14Å; N328-E330 PolarHBondContact OD1-N 2.82Å; N328-E330 VanDerWaalsContact OD1-N 3.11Å; N328-G331 PolarHBondContact N-O 3.47Å; N328-G331 PolarHBondContact O-N 3.44Å; N328-G331 VanDerWaalsContact O-O 3.12Å; N328-G331 PolarHBondContact OD1-N 3.41Å; N328-G331 PolarHBondContact OD1-O 3.06Å
329E94.3Very high70.1Confident4 Ų433 Ų332%0.01923%0.229CC..THydrogen-bonded Turntrans-65-31.7-171.7-74.574.1-154.300114.5W177 Q180 F181 K183 T186 M204 R277 G331W177-E329 VanDerWaalsContact CD1-O 3.29Å; Q180-E329 WeakPolarHBondContact CA-O 3.23Å; Q180-E329 WeakPolarHBondContact CB-O 3.38Å; F181-E329 HydrophobicContact CB-CB 3.96Å; F181-E329 HydrophobicContact CB-CG 3.81Å; F181-E329 PolarHBondContact N-O 3.24Å; F181-E329 WeakPolarHBondContact O-CB 3.3Å; K183-E329 HydrophobicContact CB-CG 4.37Å; K183-E329 HydrophobicContact CG-CB 3.89Å; K183-E329 HydrophobicContact CG-CG 3.62Å; T186-E329 PolarHBondContact OG1-OE1 3.03Å; M204-E329 HydrophobicContact CG-CG 4.43Å; M204-E329 WeakPolarHBondContact CG-OE1 3.39Å; M204-E329 HydrophobicContact SD-CG 4.12Å; M204-E329 PolarHBondContact SD-N 3.05Å; R277-E329 VanDerWaalsContact CZ-CD 3.42Å; R277-E329 IonicContact CZ-OE1 3.52Å; R277-E329 IonicContact CZ-OE2 3.35Å; R277-E329 IonicContact NE-OE1 2.84Å; R277-E329 PolarHBondContact NE-OE1 3.34Å; R277-E329 IonicContact NE-OE2 3.62Å; R277-E329 PolarHBondContact NE-OE2 2.91Å; R277-E329 VanDerWaalsContact NE-OE2 3.13Å; R277-E329 IonicContact NH2-OE1 3.38Å; R277-E329 PolarHBondContact NH2-OE1 3.12Å; R277-E329 IonicContact NH2-OE2 2.7Å; R277-E329 PolarHBondContact NH2-OE2 3.27Å; E329-G331 VanDerWaalsContact C-N 3.26Å
330E86.4Confident66.9Low14 Ų1437.7 Ų37.77%0.06527%0.268CS..THydrogen-bonded Turntrans-79.8-21.9-175.9-64.7152.8163.100110.4N176 W177 K183 N328 A334 A335N176-E330 CarbonylContact C-O 3.49Å; N176-E330 VanDerWaalsContact CA-O 3.25Å; N176-E330 WeakPolarHBondContact CA-O 3.37Å; N176-E330 WeakPolarHBondContact CB-O 3.5Å; W177-E330 PolarHBondContact N-O 3.38Å; K183-E330 WeakPolarHBondContact CE-OE1 3.38Å; K183-E330 IonicContact NZ-OE1 3.5Å; K183-E330 PolarHBondContact NZ-OE1 3.37Å; N328-E330 VanDerWaalsContact C-N 3.28Å; N328-E330 PolarHBondContact O-N 3.14Å; N328-E330 PolarHBondContact OD1-N 2.82Å; N328-E330 VanDerWaalsContact OD1-N 3.11Å; E330-A334 VanDerWaalsContact CD-CA 3.41Å; E330-A334 WeakPolarHBondContact OE2-CA 3.48Å; E330-A334 PolarHBondContact OE2-N 3.04Å; E330-A335 VanDerWaalsContact OE1-CA 3.3Å; E330-A335 WeakPolarHBondContact OE1-CA 3.47Å; E330-A335 VanDerWaalsContact OE1-CB 3.23Å; E330-A335 WeakPolarHBondContact OE1-CB 3.25Å
331G77.2Confident63.7Low0 Ų045.3 Ų45.30%031%0.307CS..EExtended strand (participates in β ladder)trans135.1-119.8-167.200000109.6G175 W177 N328 E329G175-G331 CarbonylContact O-C 3.59Å; G175-G331 WeakPolarHBondContact O-CA 3.42Å; W177-G331 VanDerWaalsContact NE1-CA 3.26Å; N328-G331 PolarHBondContact N-O 3.47Å; N328-G331 PolarHBondContact O-N 3.44Å; N328-G331 VanDerWaalsContact O-O 3.12Å; N328-G331 PolarHBondContact OD1-N 3.41Å; N328-G331 PolarHBondContact OD1-O 3.06Å; E329-G331 VanDerWaalsContact C-N 3.26Å
332T63.7Low60.5Low4 Ų454 Ų543%0.02535%0.35CS..EExtended strand (participates in β ladder)trans-118.787.4170.5-43.30000103.1F173 R174 G175 Y227 V325 E326F173-T332 HydrophobicContact CD1-CG2 3.92Å; F173-T332 HydrophobicContact CE1-CG2 4.11Å; F173-T332 WeakPolarHBondContact O-CG2 3.29Å; R174-T332 CarbonylContact C-O 3.56Å; R174-T332 WeakPolarHBondContact CG-O 3.41Å; G175-T332 PolarHBondContact N-O 2.88Å; G175-T332 WeakPolarHBondContact O-CA 3.49Å; G175-T332 WeakPolarHBondContact O-CB 3.18Å; G175-T332 PolarHBondContact O-N 2.5Å; Y227-T332 PolarHBondContact OH-OG1 2.88Å; V325-T332 HydrophobicContact CG2-CG2 4.16Å; E326-T332 WeakPolarHBondContact O-CA 3.25Å; E326-T332 WeakPolarHBondContact O-CB 3.4Å; E326-T332 WeakPolarHBondContact O-CG2 3.47Å
333E37.2Very low57.7Low56 Ų5661.6 Ų61.626%0.26239%0.388SS..SBendtrans50.3120.2-175.6-84.4-164.9127.400123.7K149 R174 N176K149-E333 IonicContact NZ-OE2 3.8Å; K149-E333 PolarHBondContact NZ-OE2 2.99Å; R174-E333 HydrophobicContact CG-CB 4.41Å; R174-E333 PolarHBondContact NE-O 3.2Å; R174-E333 PolarHBondContact NH2-O 2.8Å; N176-E333 PolarHBondContact OD1-O 3.02Å
334A38.4Very low55.2Low43 Ų4370.4 Ų70.436%0.35543%0.431SS..  trans60.6130.6149.800000123.9E330E330-A334 VanDerWaalsContact CD-CA 3.41Å; E330-A334 WeakPolarHBondContact OE2-CA 3.48Å; E330-A334 PolarHBondContact OE2-N 3.04Å
335A27.6Very low52.7Low65 Ų6581.4 Ų81.454%0.53747%0.473SS..  cis-163161.7-10.300000113.7E330E330-A335 VanDerWaalsContact OE1-CA 3.3Å; E330-A335 WeakPolarHBondContact OE1-CA 3.47Å; E330-A335 VanDerWaalsContact OE1-CB 3.23Å; E330-A335 WeakPolarHBondContact OE1-CB 3.25Å
336A29.9Very low50.4Low81 Ų8187.3 Ų87.367%0.66951%0.513SS*.  trans9996.8153.500000122.6
337A32.1Very low48.2Very low85 Ų8590.7 Ų90.770%0.70255%0.548SS*.  42128.2127.200000123.5
338T28Very low46.4Very low149 Ų149100.6 Ų100.691%0.91459%0.585SS**  trans-156.4147.6139.5-7.20000112.6
339A26.1Very low45.5Very low95 Ų95109 Ų10979%0.78562%0.621SS**  trans-79150.6-16400000115.8
340A29.1Very low45Very low104 Ų104109.9 Ų109.986%0.8663%0.627SS**  trans-106.6135.4173.300000112.9
341I27.3Very low45.3Very low164 Ų164110.6 Ų110.684%0.84163%0.633SS**  trans-92.8122.7175.7-65.4168.9000108.4
342M28.2Very low46.1Very low184 Ų184118.8 Ų118.891%0.90666%0.663SS**  trans-77.5129.4174.4-89.2-168.8158.200112.3
343M33.8Very low47.7Very low181 Ų181118.6 Ų118.689%0.89266%0.662SS**  trans-121.2116.3155.1-87.2-166.8-178.800109.7
344M40.2Very low50.6Low185 Ų185117.9 Ų117.991%0.91166%0.663SS**  trans-74.2125.7171.1-85.7-155.8-10200111.5
345R36.7Very low53.5Low234 Ų234115.8 Ų115.888%0.88365%0.646SS**  trans-149.6132.3151.8-66.9-166.2176.2-175.9-1.1110.3
346C41.9Very low56.8Low124 Ų124114 Ų11484%0.83863%0.627SS**SBendtrans34.2123169.6-59.50000117.4R348C346-R348 VanDerWaalsContact C-N 3.3Å; C346-R348 PolarHBondContact O-N 3.19Å
347A44.9Very low60Low114 Ų114111.1 Ų111.194%0.94260%0.6SS**  trans-58.886.2178.600000112.4
348R57.5Low63.1Low210 Ų210108.3 Ų108.379%0.79257%0.574SS**  trans-65.1131.7158.8-104.2176.6171.2172.1-4.6106.3C346 V350C346-R348 VanDerWaalsContact C-N 3.3Å; C346-R348 PolarHBondContact O-N 3.19Å; R348-V350 PolarHBondContact O-N 3.16Å
349F75.4Confident66.4Low193 Ų193101.2 Ų101.285%0.84653%0.531SS*.  trans-68.8102.7168-174.1-91.2000107
350V83.9Confident69.8Low22 Ų2296.7 Ų96.713%0.13349%0.493CS..  trans-82.9122.7175.5-176.30000107.4Q207 E270 E272 R348Q207-V350 HydrophobicContact CG-CG1 4.4Å; E270-V350 HydrophobicContact CG-CG1 4.15Å; E270-V350 WeakPolarHBondContact O-CG1 3.44Å; E272-V350 HydrophobicContact CG-CB 4.36Å; E272-V350 HydrophobicContact CG-CG1 3.97Å; R348-V350 PolarHBondContact O-N 3.16Å
351P91.4Very high73.1Confident29 Ų2991.7 Ų91.719%0.18845%0.452CS..  trans-54.7142.5174.3-26.234.5000111.7E270 V271 E272E270-P351 WeakPolarHBondContact O-CD 3.28Å; V271-P351 WeakPolarHBondContact CA-O 2.76Å; V271-P351 WeakPolarHBondContact CG1-O 3.35Å; E272-P351 PolarHBondContact N-O 3.23Å
352R94.8Very high76.5Confident172 Ų17283.9 Ų83.965%0.64941%0.412SS*.EExtended strand (participates in β ladder)trans-104.7143.6176.6-65.6-177.9171.7162.91.6110.8K212 Q221 E272K212-R352 PolarHBondContact NZ-O 2.94Å; Q221-R352 PolarHBondContact OE1-O 3.28Å; E272-R352 HydrophobicContact CB-CG 4.09Å; E272-R352 WeakPolarHBondContact O-CA 3.46Å; E272-R352 WeakPolarHBondContact OE2-CG 3.4Å; E272-R352 IonicContact OE2-CZ 2.73Å; E272-R352 IonicContact OE2-NE 3.98Å; E272-R352 PolarHBondContact OE2-NE 2.71Å; E272-R352 IonicContact OE2-NH2 3.53Å
353F97.9Very high79.8Confident1 Ų175.1 Ų75.10%0.00437%0.369CS..EExtended strand (participates in β ladder)trans-127.3104.4164.8-174.5-84000107.4Q221 L223 I236 L238 V271 E272 V273 S274 A355Q221-F353 HydrophobicContact CB-CD2 3.96Å; Q221-F353 HydrophobicContact CB-CE2 3.78Å; L223-F353 HydrophobicContact CB-CD1 4.16Å; L223-F353 HydrophobicContact CB-CD2 3.75Å; L223-F353 HydrophobicContact CB-CE1 3.99Å; L223-F353 HydrophobicContact CB-CE2 3.56Å; L223-F353 HydrophobicContact CB-CG 4.04Å; L223-F353 HydrophobicContact CB-CZ 3.68Å; L223-F353 HydrophobicContact CD2-CB 4.28Å; L223-F353 HydrophobicContact CD2-CD1 3.52Å; L223-F353 HydrophobicContact CD2-CD2 4.4Å; L223-F353 HydrophobicContact CD2-CE1 3.87Å; L223-F353 HydrophobicContact CD2-CG 3.81Å; L223-F353 HydrophobicContact CD2-CZ 4.43Å; L223-F353 HydrophobicContact CG-CD1 4.44Å; L223-F353 HydrophobicContact CG-CG 4.41Å; I236-F353 HydrophobicContact CB-CE1 4.19Å; I236-F353 HydrophobicContact CB-CZ 3.89Å; I236-F353 HydrophobicContact CD1-CE1 4.43Å; I236-F353 HydrophobicContact CG2-CE1 3.92Å; I236-F353 HydrophobicContact CG2-CZ 3.67Å; L238-F353 HydrophobicContact CB-CE1 4.4Å; L238-F353 HydrophobicContact CB-CE2 3.81Å; L238-F353 HydrophobicContact CB-CZ 3.56Å; L238-F353 HydrophobicContact CD2-CD1 4.47Å; L238-F353 HydrophobicContact CD2-CD2 4.44Å; L238-F353 HydrophobicContact CD2-CE1 4.16Å; L238-F353 HydrophobicContact CD2-CE2 4.12Å; L238-F353 HydrophobicContact CD2-CZ 3.98Å; L238-F353 HydrophobicContact CG-CZ 4.42Å; V271-F353 HydrophobicContact CG1-CB 3.95Å; E272-F353 PolarHBondContact O-N 3.04Å; V273-F353 WeakPolarHBondContact CA-O 3.34Å; S274-F353 PolarHBondContact N-O 2.89Å; F353-A355 HydrophobicContact CE1-CB 4.17Å
354C98.1Very high82.7Confident40 Ų4066.9 Ų66.927%0.2733%0.328SS..EExtended strand (participates in β ladder)trans-117.798.4-173.5-1730000110L238 D356L238-C354 VanDerWaalsContact CD2-O 3.24Å; L238-C354 WeakPolarHBondContact CD2-O 3.34Å; C354-D356 PolarHBondContact O-N 3.17Å
355A98.3Very high85.2Confident0 Ų058.3 Ų58.30%029%0.286CS..  trans-80.259.8-179.700000111.6F191 L238 S274 L275 P276 F353 F359F191-A355 WeakPolarHBondContact CE2-O 3.34Å; L238-A355 HydrophobicContact CD1-CB 4.39Å; S274-A355 PolarHBondContact O-N 3.14Å; L275-A355 HydrophobicContact CD1-CB 4.21Å; P276-A355 WeakPolarHBondContact CD-O 3.49Å; F353-A355 HydrophobicContact CE1-CB 4.17Å; A355-F359 HydrophobicContact CB-CD1 3.82Å; A355-F359 HydrophobicContact CB-CE1 3.81Å
356D97.5Very high87.7Confident27 Ų2748.8 Ų48.814%0.14426%0.256CS..  trans-97.214.8-177.671.3-19.1000113.6F191 K192 M203 C354F191-D356 CarbonylContact C-O 3.53Å; F191-D356 VanDerWaalsContact CA-O 3.28Å; F191-D356 WeakPolarHBondContact CA-O 3.35Å; F191-D356 VanDerWaalsContact CD2-C 3.44Å; K192-D356 PolarHBondContact N-O 3.05Å; K192-D356 IonicContact NZ-OD2 3.1Å; M203-D356 HydrophobicContact CE-CB 3.99Å; C354-D356 PolarHBondContact O-N 3.17Å
357H96.9Very high89.9Confident21 Ų2148.5 Ų48.510%0.09724%0.24CC..SBendtrans-156170178.559.9-85.9000109.7F191 K192 L238 P239 F359F191-H357 WeakPolarHBondContact CZ-O 3.29Å; K192-H357 HydrophobicContact CB-CB 4.04Å; L238-H357 WeakPolarHBondContact CD1-NE2 3.49Å; P239-H357 PolarHBondContact O-NE2 3.11Å; H357-F359 VanDerWaalsContact O-CD1 3.31Å; H357-F359 WeakPolarHBondContact O-CD1 3.46Å; H357-F359 PolarHBondContact O-N 3.31Å
358P97.2Very high91.9Very high25 Ų2543.2 Ų43.216%0.16220%0.196CC..  trans-52.6131-170.1-31.535.2000115F191 K192 L245 F377F191-P358 HydrophobicContact CE1-CG 4.36Å; K192-P358 WeakPolarHBondContact O-CD 3.35Å; L245-P358 HydrophobicContact CD2-CB 3.85Å; P358-F377 WeakPolarHBondContact CA-O 3.23Å
359F97.8Very high93.3Very high0 Ų036.6 Ų36.60%018%0.176CC..EExtended strand (participates in β ladder)trans-137.6159.8-179.158.9-98.8000112F191 I236 M237 L238 L275 P276 F278 A355 H357 F361 R376 F377F191-F359 HydrophobicContact CE2-CD1 4.44Å; F191-F359 HydrophobicContact CE2-CE1 4.13Å; I236-F359 HydrophobicContact CG2-CB 4.2Å; I236-F359 HydrophobicContact CG2-CD2 3.71Å; I236-F359 HydrophobicContact CG2-CE2 4.3Å; I236-F359 HydrophobicContact CG2-CG 4.02Å; M237-F359 WeakPolarHBondContact O-CB 3.48Å; L238-F359 HydrophobicContact CD1-CB 3.86Å; L238-F359 HydrophobicContact CD1-CD1 4.47Å; L275-F359 HydrophobicContact CD1-CZ 4.16Å; P276-F359 HydrophobicContact CG-CE1 3.89Å; P276-F359 HydrophobicContact CG-CZ 4.12Å; F278-F359 HydrophobicContact CD1-CZ 4.49Å; F278-F359 HydrophobicContact CE1-CE2 4.34Å; F278-F359 AromaticContact CE1-CZ 3.93Å; F278-F359 HydrophobicContact CE1-CZ 3.93Å; A355-F359 HydrophobicContact CB-CD1 3.82Å; A355-F359 HydrophobicContact CB-CE1 3.81Å; H357-F359 VanDerWaalsContact O-CD1 3.31Å; H357-F359 WeakPolarHBondContact O-CD1 3.46Å; H357-F359 PolarHBondContact O-N 3.31Å; F359-F361 HydrophobicContact CD2-CB 4.3Å; F359-F361 HydrophobicContact CD2-CD1 4.3Å; F359-F361 HydrophobicContact CE2-CB 4.24Å; F359-F361 AromaticContact CE2-CD1 3.93Å; F359-F361 HydrophobicContact CE2-CD1 3.93Å; F359-F361 HydrophobicContact CE2-CG 4.42Å; F359-R376 WeakPolarHBondContact O-CA 3.24Å; F359-F377 HydrophobicContact CD1-CD1 4.37Å; F359-F377 HydrophobicContact CD2-CB 4.2Å; F359-F377 HydrophobicContact CE1-CB 4.05Å; F359-F377 AromaticContact CE1-CD1 3.52Å; F359-F377 HydrophobicContact CE1-CD1 3.52Å; F359-F377 HydrophobicContact CE1-CE1 4.39Å; F359-F377 HydrophobicContact CE1-CG 4.17Å; F359-F377 HydrophobicContact CE2-CB 3.71Å; F359-F377 HydrophobicContact CE2-CG 4.44Å; F359-F377 HydrophobicContact CZ-CB 3.62Å; F359-F377 AromaticContact CZ-CD1 3.62Å; F359-F377 HydrophobicContact CZ-CD1 3.62Å; F359-F377 AromaticContact CZ-CG 3.87Å; F359-F377 HydrophobicContact CZ-CG 3.87Å; F359-F377 PolarHBondContact N-O 3.48Å; F359-F377 VanDerWaalsContact N-O 3.1Å; F359-F377 PolarHBondContact O-N 2.92Å
360L98.1Very high94.1Very high0 Ų027.7 Ų27.70%014%0.139CC..EExtended strand (participates in β ladder)trans-93.7147165.5-56.3179.9000109.4L20 I236 M237 L245 V248 E249 L252 F362 G375 R376L20-L360 HydrophobicContact CD2-CD1 4.2Å; L20-L360 HydrophobicContact CD2-CD2 4.24Å; I236-L360 WeakPolarHBondContact CA-O 3.42Å; M237-L360 HydrophobicContact CB-CB 4.26Å; M237-L360 PolarHBondContact N-O 2.83Å; M237-L360 PolarHBondContact O-N 3.24Å; L245-L360 HydrophobicContact CD1-CD2 4.3Å; L245-L360 HydrophobicContact CD1-CG 3.92Å; L245-L360 HydrophobicContact CD2-CD2 4.16Å; L245-L360 HydrophobicContact CG-CD2 4.26Å; L245-L360 HydrophobicContact CG-CG 4.38Å; V248-L360 HydrophobicContact CG1-CD1 4.05Å; E249-L360 HydrophobicContact CG-CD1 3.94Å; E249-L360 HydrophobicContact CG-CD2 3.98Å; E249-L360 HydrophobicContact CG-CG 4.47Å; L252-L360 HydrophobicContact CD2-CD1 4.07Å; L360-F362 HydrophobicContact CB-CE2 3.79Å; L360-F362 HydrophobicContact CB-CZ 4.21Å; L360-F362 HydrophobicContact CD1-CE2 4.42Å; L360-F362 HydrophobicContact CD1-CZ 4.24Å; L360-G375 CarbonylContact C-O 3.59Å; L360-G375 WeakPolarHBondContact CA-O 3.1Å; L360-R376 HydrophobicContact CD2-CB 3.77Å; L360-R376 HydrophobicContact CD2-CG 4.1Å
361F97.9Very high94.6Very high0 Ų026.7 Ų26.70%013%0.133CC..EExtended strand (participates in β ladder)trans-137.8149.4170.170.2-83.7000111.4F32 M234 I235 I236 F278 L280 V325 F359 G375 F377F32-F361 AromaticContact CD2-CE2 3.83Å; F32-F361 HydrophobicContact CD2-CE2 3.83Å; F32-F361 AromaticContact CD2-CZ 3.56Å; F32-F361 HydrophobicContact CD2-CZ 3.56Å; F32-F361 AromaticContact CE2-CE2 3.72Å; F32-F361 HydrophobicContact CE2-CE2 3.72Å; F32-F361 AromaticContact CE2-CZ 3.93Å; F32-F361 HydrophobicContact CE2-CZ 3.93Å; M234-F361 HydrophobicContact CE-CD2 4.07Å; I235-F361 CarbonylContact O-C 3.53Å; I235-F361 WeakPolarHBondContact O-CA 3.43Å; I236-F361 HydrophobicContact CG1-CB 4.46Å; F278-F361 HydrophobicContact CE2-CE1 4.11Å; F278-F361 HydrophobicContact CE2-CE2 4.43Å; F278-F361 AromaticContact CE2-CZ 3.93Å; F278-F361 HydrophobicContact CE2-CZ 3.93Å; F278-F361 HydrophobicContact CZ-CD1 4.42Å; F278-F361 HydrophobicContact CZ-CE1 4.2Å; F278-F361 HydrophobicContact CZ-CZ 4.25Å; L280-F361 HydrophobicContact CD1-CE1 3.94Å; L280-F361 HydrophobicContact CD1-CZ 3.89Å; V325-F361 HydrophobicContact CG1-CZ 4.35Å; F359-F361 HydrophobicContact CD2-CB 4.3Å; F359-F361 HydrophobicContact CD2-CD1 4.3Å; F359-F361 HydrophobicContact CE2-CB 4.24Å; F359-F361 AromaticContact CE2-CD1 3.93Å; F359-F361 HydrophobicContact CE2-CD1 3.93Å; F359-F361 HydrophobicContact CE2-CG 4.42Å; F361-G375 PolarHBondContact N-O 3.28Å; F361-G375 PolarHBondContact O-N 2.97Å; F361-F377 HydrophobicContact CE1-CB 4.4Å
362F98.1Very high94.8Very high0 Ų025.5 Ų25.50%013%0.125CC..EExtended strand (participates in β ladder)trans-134.7142.9-178.8-56.3-93.8000109L17 L20 M234 I235 M237 L252 F257 L360 I371 F373 C374L17-F362 HydrophobicContact CD2-CE1 4Å; L17-F362 HydrophobicContact CD2-CZ 4.32Å; L20-F362 HydrophobicContact CD2-CE1 4.34Å; L20-F362 HydrophobicContact CD2-CZ 4.18Å; M234-F362 CarbonylContact C-O 3.49Å; M234-F362 VanDerWaalsContact CA-O 3.3Å; M234-F362 WeakPolarHBondContact CA-O 3.5Å; I235-F362 HydrophobicContact CB-CB 4.4Å; I235-F362 PolarHBondContact N-O 2.89Å; I235-F362 PolarHBondContact O-N 3.04Å; M237-F362 HydrophobicContact CE-CD2 4.41Å; M237-F362 HydrophobicContact CE-CE2 4.07Å; M237-F362 HydrophobicContact CG-CE2 4.2Å; M237-F362 HydrophobicContact SD-CE2 3.77Å; L252-F362 HydrophobicContact CD2-CE1 4.49Å; L252-F362 HydrophobicContact CD2-CE2 4.33Å; L252-F362 HydrophobicContact CD2-CZ 3.66Å; F257-F362 HydrophobicContact CD2-CE1 4.48Å; F257-F362 HydrophobicContact CD2-CE2 4.45Å; F257-F362 HydrophobicContact CD2-CZ 4.4Å; F257-F362 HydrophobicContact CE2-CB 4.2Å; F257-F362 AromaticContact CE2-CD1 3.8Å; F257-F362 HydrophobicContact CE2-CD1 3.8Å; F257-F362 AromaticContact CE2-CD2 3.67Å; F257-F362 HydrophobicContact CE2-CD2 3.67Å; F257-F362 HydrophobicContact CE2-CE1 4.06Å; F257-F362 AromaticContact CE2-CE2 3.94Å; F257-F362 HydrophobicContact CE2-CE2 3.94Å; F257-F362 AromaticContact CE2-CG 3.6Å; F257-F362 HydrophobicContact CE2-CG 3.6Å; F257-F362 HydrophobicContact CE2-CZ 4.13Å; F257-F362 HydrophobicContact CZ-CB 4.18Å; F257-F362 HydrophobicContact CZ-CD1 4.3Å; F257-F362 HydrophobicContact CZ-CD2 4.46Å; F257-F362 HydrophobicContact CZ-CG 4.06Å; L360-F362 HydrophobicContact CB-CE2 3.79Å; L360-F362 HydrophobicContact CB-CZ 4.21Å; L360-F362 HydrophobicContact CD1-CE2 4.42Å; L360-F362 HydrophobicContact CD1-CZ 4.24Å; F362-I371 HydrophobicContact CD1-CG2 4.08Å; F362-F373 VanDerWaalsContact CA-O 3.31Å; F362-F373 WeakPolarHBondContact CA-O 3.43Å; F362-C374 HydrophobicContact CD1-CB 4.27Å; F362-C374 HydrophobicContact CE1-CB 4.26Å
363I96.5Very high94.8Very high0 Ų017.3 Ų17.30%09%0.094CC..EExtended strand (participates in β ladder)trans-108.8115.4167.5-56.1178.5000106.6F173 Y227 L232 N233 M234 L372 F373F173-I363 HydrophobicContact CD1-CD1 3.65Å; F173-I363 HydrophobicContact CE1-CD1 3.63Å; F173-I363 HydrophobicContact CZ-CD1 4.46Å; F173-I363 HydrophobicContact CZ-CG2 4.44Å; Y227-I363 HydrophobicContact CE2-CG2 4.29Å; L232-I363 HydrophobicContact CB-CG2 4.5Å; L232-I363 HydrophobicContact CD1-CG2 4.42Å; N233-I363 WeakPolarHBondContact O-CA 3.27Å; M234-I363 HydrophobicContact CE-CD1 4.28Å; M234-I363 HydrophobicContact CE-CG1 4.22Å; I363-L372 WeakPolarHBondContact O-CA 3.46Å; I363-L372 WeakPolarHBondContact O-CB 3.29Å; I363-L372 PolarHBondContact O-N 3.49Å; I363-F373 HydrophobicContact CB-CB 4.07Å; I363-F373 HydrophobicContact CB-CD2 3.98Å; I363-F373 HydrophobicContact CB-CG 4.5Å; I363-F373 HydrophobicContact CD1-CB 4.25Å; I363-F373 HydrophobicContact CD1-CD2 4.01Å; I363-F373 HydrophobicContact CD1-CG 4.33Å; I363-F373 HydrophobicContact CG1-CB 4.21Å; I363-F373 HydrophobicContact CG1-CD2 4.45Å; I363-F373 HydrophobicContact CG2-CD2 4.36Å; I363-F373 PolarHBondContact N-O 3.47Å; I363-F373 PolarHBondContact O-N 2.97Å
364Q95.3Very high94.8Very high7 Ų717.2 Ų17.23%0.0339%0.094CC..EExtended strand (participates in β ladder)trans-115.7138.1-174.5-170.1-174.241.200110.4L232 N233 I235 N369 G370L232-Q364 WeakPolarHBondContact CA-O 3.35Å; N233-Q364 PolarHBondContact N-O 2.84Å; N233-Q364 PolarHBondContact O-N 2.84Å; I235-Q364 HydrophobicContact CD1-CB 4.17Å; Q364-N369 PolarHBondContact NE2-O 2.62Å; Q364-G370 WeakPolarHBondContact CA-O 3.35Å
365H92.8Very high94.7Very high5 Ų515.3 Ų15.32%0.0238%0.081CC..EExtended strand (participates in β ladder)trans-84.5115.7171.9-179.1-106.3000110.8E231 L232 K367 T368 N369 G370 L372E231-H365 PolarHBondContact O-CD2 3.26Å; L232-H365 HydrophobicContact CD2-CB 3.8Å; H365-K367 VanDerWaalsContact C-N 3.3Å; H365-K367 PolarHBondContact O-N 3.48Å; H365-T368 WeakPolarHBondContact ND1-CG2 3.39Å; H365-T368 PolarHBondContact ND1-N 3.23Å; H365-T368 PolarHBondContact ND1-OG1 3.46Å; H365-T368 PolarHBondContact O-N 3.23Å; H365-N369 VanDerWaalsContact O-CA 3.28Å; H365-N369 WeakPolarHBondContact O-CA 3.3Å; H365-N369 PolarHBondContact O-N 3.29Å; H365-G370 PolarHBondContact N-O 3.23Å; H365-L372 HydrophobicContact CB-CD1 4.18Å; H365-L372 HydrophobicContact CB-CD2 4.37Å; H365-L372 HydrophobicContact CB-CG 4.19Å
366S89.8Confident94.6Very high35 Ų3515.4 Ų15.425%0.2458%0.081CC..THydrogen-bonded Turntrans-65.1-32.3-167.5-47.80000112.9K230 E231 N233 N369K230-S366 PolarHBondContact O-OG 2.66Å; E231-S366 PolarHBondContact O-N 2.84Å; E231-S366 PolarHBondContact O-OG 2.65Å; N233-S366 PolarHBondContact ND2-OG 3.28Å; S366-N369 PolarHBondContact O-OD1 3Å
367K87.7Confident94.6Very high118 Ų11814.1 Ų14.151%0.5138%0.075SC..THydrogen-bonded Turntrans-78.2-28.4-179.6-179-179.9172.6-170.20113.3M1 E82 H365M1-K367 WeakPolarHBondContact CE-O 3.18Å; E82-K367 HydrophobicContact CG-CD 4.46Å; E82-K367 VanDerWaalsContact OE1-CD 3.26Å; E82-K367 WeakPolarHBondContact OE1-CD 3.45Å; E82-K367 WeakPolarHBondContact OE1-CE 3.38Å; E82-K367 IonicContact OE1-NZ 3.06Å; E82-K367 PolarHBondContact OE1-NZ 2.95Å; E82-K367 IonicContact OE2-NZ 3.82Å; E82-K367 PolarHBondContact OE2-NZ 3.44Å; H365-K367 VanDerWaalsContact C-N 3.3Å; H365-K367 PolarHBondContact O-N 3.48Å
368T86.4Confident94.4Very high3 Ų313.3 Ų13.32%0.0187%0.071CC..THydrogen-bonded Turntrans-108.5-6.1-178.7600000113.1A9 L79 E82 H365 G370A9-T368 WeakPolarHBondContact CB-O 3.5Å; L79-T368 HydrophobicContact CD1-CG2 3.89Å; E82-T368 HydrophobicContact CG-CG2 4.36Å; H365-T368 WeakPolarHBondContact ND1-CG2 3.39Å; H365-T368 PolarHBondContact ND1-N 3.23Å; H365-T368 PolarHBondContact ND1-OG1 3.46Å; H365-T368 PolarHBondContact O-N 3.23Å; T368-G370 PolarHBondContact O-N 3.41Å; T368-G370 PolarHBondContact OG1-N 2.98Å
369N87.6Confident94Very high70 Ų7013.3 Ų13.337%0.3747%0.072SC..THydrogen-bonded Turntrans53.911.7-167.7-60-40.3000114.2Q364 H365 S366Q364-N369 PolarHBondContact NE2-O 2.62Å; H365-N369 VanDerWaalsContact O-CA 3.28Å; H365-N369 WeakPolarHBondContact O-CA 3.3Å; H365-N369 PolarHBondContact O-N 3.29Å; S366-N369 PolarHBondContact O-OD1 3Å
370G91.3Very high93.5Very high7 Ų717.1 Ų17.17%0.07210%0.096CC..EExtended strand (participates in β ladder)trans-73.3130.6-177.200000111.3Q364 H365 T368 L372Q364-G370 WeakPolarHBondContact CA-O 3.35Å; H365-G370 PolarHBondContact N-O 3.23Å; T368-G370 PolarHBondContact O-N 3.41Å; T368-G370 PolarHBondContact OG1-N 2.98Å; G370-L372 PolarHBondContact O-N 2.89Å
371I95.4Very high93.3Very high1 Ų118 Ų181%0.00510%0.101CC..EExtended strand (participates in β ladder)trans-73.9112172.3-55.3176.6000108.4N12 A16 P35 F257 F362 F373 C374N12-I371 PolarHBondContact ND2-O 3.18Å; A16-I371 HydrophobicContact CB-CD1 4.48Å; P35-I371 HydrophobicContact CG-CB 4.45Å; P35-I371 HydrophobicContact CG-CG2 4.04Å; F257-I371 HydrophobicContact CD1-CD1 3.96Å; F257-I371 HydrophobicContact CD1-CG1 4.5Å; F257-I371 HydrophobicContact CE1-CD1 3.7Å; F257-I371 HydrophobicContact CE1-CG1 3.83Å; F257-I371 HydrophobicContact CE2-CD1 4.3Å; F257-I371 HydrophobicContact CG-CD1 4.37Å; F257-I371 HydrophobicContact CZ-CD1 3.89Å; F257-I371 HydrophobicContact CZ-CG1 4.05Å; F362-I371 HydrophobicContact CD1-CG2 4.08Å; I371-F373 WeakPolarHBondContact CG2-O 3.34Å; I371-C374 WeakPolarHBondContact CG2-SG 3.3Å
372L94.7Very high93Very high3 Ų318.9 Ų18.92%0.01611%0.106CC..EExtended strand (participates in β ladder)trans-83.5-39.8177.8-60.7-173.5000111.7S34 M36 V83 L92 L232 I363 H365 G370S34-L372 VanDerWaalsContact CA-O 3.27Å; S34-L372 WeakPolarHBondContact CA-O 3.32Å; S34-L372 VanDerWaalsContact CB-O 3.3Å; S34-L372 WeakPolarHBondContact CB-O 3.48Å; S34-L372 PolarHBondContact OG-O 3.33Å; M36-L372 HydrophobicContact CB-CD2 4.21Å; M36-L372 HydrophobicContact CG-CD2 3.98Å; V83-L372 HydrophobicContact CG1-CD2 4.36Å; L92-L372 HydrophobicContact CD2-CD1 4.41Å; L232-L372 HydrophobicContact CD1-CD1 4.38Å; L232-L372 HydrophobicContact CD2-CD1 3.47Å; L232-L372 VanDerWaalsContact CD2-CD1 3.47Å; I363-L372 WeakPolarHBondContact O-CA 3.46Å; I363-L372 WeakPolarHBondContact O-CB 3.29Å; I363-L372 PolarHBondContact O-N 3.49Å; H365-L372 HydrophobicContact CB-CD1 4.18Å; H365-L372 HydrophobicContact CB-CD2 4.37Å; H365-L372 HydrophobicContact CB-CG 4.19Å; G370-L372 PolarHBondContact O-N 2.89Å
373F96.1Very high92.7Very high0 Ų019.9 Ų19.90%011%0.112CC..EExtended strand (participates in β ladder)trans-138.8144.3179.2-62.4-90.9000111.2F32 F33 L92 V171 F173 F362 I363 I371F32-F373 AromaticContact CE1-CD1 3.96Å; F32-F373 HydrophobicContact CE1-CD1 3.96Å; F32-F373 HydrophobicContact CE1-CE1 4.32Å; F32-F373 HydrophobicContact CE2-CB 3.73Å; F32-F373 AromaticContact CE2-CD1 3.87Å; F32-F373 HydrophobicContact CE2-CD1 3.87Å; F32-F373 HydrophobicContact CE2-CG 4.11Å; F32-F373 HydrophobicContact CZ-CB 3.98Å; F32-F373 AromaticContact CZ-CD1 3.24Å; F32-F373 HydrophobicContact CZ-CD1 3.24Å; F32-F373 AromaticContact CZ-CE1 3.91Å; F32-F373 HydrophobicContact CZ-CE1 3.91Å; F32-F373 AromaticContact CZ-CG 3.82Å; F32-F373 HydrophobicContact CZ-CG 3.82Å; F33-F373 WeakPolarHBondContact O-CA 3.29Å; L92-F373 HydrophobicContact CD1-CE2 3.78Å; L92-F373 HydrophobicContact CD1-CZ 3.75Å; V171-F373 HydrophobicContact CB-CE1 4.39Å; V171-F373 HydrophobicContact CG1-CE1 3.79Å; V171-F373 HydrophobicContact CG1-CZ 4.48Å; V171-F373 HydrophobicContact CG2-CE1 3.71Å; V171-F373 HydrophobicContact CG2-CZ 3.52Å; F173-F373 HydrophobicContact CB-CD2 4.45Å; F173-F373 HydrophobicContact CB-CE1 4.32Å; F173-F373 HydrophobicContact CB-CE2 3.51Å; F173-F373 HydrophobicContact CB-CZ 3.42Å; F173-F373 VanDerWaalsContact CB-CZ 3.42Å; F173-F373 HydrophobicContact CD2-CE2 4.26Å; F173-F373 AromaticContact CG-CE2 3.87Å; F173-F373 HydrophobicContact CG-CE2 3.87Å; F173-F373 HydrophobicContact CG-CZ 4.29Å; F362-F373 VanDerWaalsContact CA-O 3.31Å; F362-F373 WeakPolarHBondContact CA-O 3.43Å; I363-F373 HydrophobicContact CB-CB 4.07Å; I363-F373 HydrophobicContact CB-CD2 3.98Å; I363-F373 HydrophobicContact CB-CG 4.5Å; I363-F373 HydrophobicContact CD1-CB 4.25Å; I363-F373 HydrophobicContact CD1-CD2 4.01Å; I363-F373 HydrophobicContact CD1-CG 4.33Å; I363-F373 HydrophobicContact CG1-CB 4.21Å; I363-F373 HydrophobicContact CG1-CD2 4.45Å; I363-F373 HydrophobicContact CG2-CD2 4.36Å; I363-F373 PolarHBondContact N-O 3.47Å; I363-F373 PolarHBondContact O-N 2.97Å; I371-F373 WeakPolarHBondContact CG2-O 3.34Å
374C97.1Very high92.5Very high0 Ų021.1 Ų21.10%012%0.119CC..EExtended strand (participates in β ladder)trans-120.6139169.3-67.80000108.6F32 F33 F362 I371F32-C374 WeakPolarHBondContact CA-O 3.42Å; F32-C374 WeakPolarHBondContact CD2-O 3.49Å; F33-C374 HydrophobicContact CD1-CB 4.42Å; F33-C374 HydrophobicContact CE1-CB 3.83Å; F33-C374 HydrophobicContact CE2-CB 4.09Å; F33-C374 HydrophobicContact CZ-CB 3.63Å; F33-C374 PolarHBondContact N-O 3.16Å; F33-C374 PolarHBondContact O-N 2.92Å; F362-C374 HydrophobicContact CD1-CB 4.27Å; F362-C374 HydrophobicContact CE1-CB 4.26Å; I371-C374 WeakPolarHBondContact CG2-SG 3.3Å
375G96.3Very high92.3Very high0 Ų022 Ų220%012%0.124CC..EExtended strand (participates in β ladder)trans-148156.8171.100000114V31 L360 F361V31-G375 CarbonylContact O-C 3.56Å; V31-G375 WeakPolarHBondContact O-CA 3.22Å; L360-G375 CarbonylContact C-O 3.59Å; L360-G375 WeakPolarHBondContact CA-O 3.1Å; F361-G375 PolarHBondContact N-O 3.28Å; F361-G375 PolarHBondContact O-N 2.97Å
376R96.7Very high92.3Very high2 Ų223.1 Ų23.11%0.00813%0.131CC..EExtended strand (participates in β ladder)trans-122.9122.5166.6171.6164.760.486.74.2107.2D26 N27 K29 N30 V31 L245 E249 F359 L360 S378D26-R376 PolarHBondContact O-NH2 2.97Å; N27-R376 PolarHBondContact O-NH1 3.27Å; K29-R376 PolarHBondContact O-NH1 3.22Å; K29-R376 PolarHBondContact O-NH2 2.88Å; N30-R376 WeakPolarHBondContact CA-O 3.46Å; V31-R376 HydrophobicContact CB-CB 4.16Å; V31-R376 PolarHBondContact N-O 3.03Å; V31-R376 PolarHBondContact O-N 3.21Å; L245-R376 VanDerWaalsContact CD2-CD 3.43Å; L245-R376 HydrophobicContact CD2-CG 3.72Å; E249-R376 VanDerWaalsContact OE1-CD 3.22Å; E249-R376 WeakPolarHBondContact OE1-CD 3.47Å; E249-R376 IonicContact OE1-NE 3.9Å; E249-R376 PolarHBondContact OE1-NE 3.05Å; F359-R376 WeakPolarHBondContact O-CA 3.24Å; L360-R376 HydrophobicContact CD2-CB 3.77Å; L360-R376 HydrophobicContact CD2-CG 4.1Å; R376-S378 WeakPolarHBondContact CD-OG 3.26Å; R376-S378 VanDerWaalsContact CG-OG 3.23Å; R376-S378 WeakPolarHBondContact CG-OG 3.21Å; R376-S378 PolarHBondContact NH1-OG 3.01Å
377F96.8Very high92.5Very high0 Ų022.3 Ų22.30%012%0.123CC..EExtended strand (participates in β ladder)trans-102.2109171.9-171.4-109.5000107.9F191 P276 F278 L280 P358 F359 F361 P380F191-F377 HydrophobicContact CD2-CE1 4.16Å; F191-F377 HydrophobicContact CE1-CE1 4.41Å; F191-F377 AromaticContact CE2-CD1 3.74Å; F191-F377 HydrophobicContact CE2-CD1 3.74Å; F191-F377 AromaticContact CE2-CE1 3.65Å; F191-F377 HydrophobicContact CE2-CE1 3.65Å; F191-F377 AromaticContact CZ-CD1 3.63Å; F191-F377 HydrophobicContact CZ-CD1 3.63Å; F191-F377 AromaticContact CZ-CE1 3.78Å; F191-F377 HydrophobicContact CZ-CE1 3.78Å; P276-F377 HydrophobicContact CB-CE1 4.22Å; P276-F377 HydrophobicContact CG-CD1 4.21Å; P276-F377 HydrophobicContact CG-CE1 3.77Å; F278-F377 HydrophobicContact CB-CD2 4.02Å; F278-F377 HydrophobicContact CB-CE2 3.32Å; F278-F377 HydrophobicContact CB-CZ 3.6Å; F278-F377 HydrophobicContact CD1-CD2 4.34Å; F278-F377 HydrophobicContact CD1-CE2 4.29Å; F278-F377 HydrophobicContact CD1-CZ 4.37Å; F278-F377 HydrophobicContact CD2-CD2 4.14Å; F278-F377 HydrophobicContact CD2-CE2 4.28Å; F278-F377 AromaticContact CG-CD2 3.93Å; F278-F377 HydrophobicContact CG-CD2 3.93Å; F278-F377 AromaticContact CG-CE2 3.74Å; F278-F377 HydrophobicContact CG-CE2 3.74Å; F278-F377 HydrophobicContact CG-CZ 4.16Å; L280-F377 HydrophobicContact CD1-CD2 4.34Å; L280-F377 HydrophobicContact CD2-CD2 4.1Å; L280-F377 HydrophobicContact CD2-CE2 4.3Å; P358-F377 WeakPolarHBondContact CA-O 3.23Å; F359-F377 HydrophobicContact CD1-CD1 4.37Å; F359-F377 HydrophobicContact CD2-CB 4.2Å; F359-F377 HydrophobicContact CE1-CB 4.05Å; F359-F377 AromaticContact CE1-CD1 3.52Å; F359-F377 HydrophobicContact CE1-CD1 3.52Å; F359-F377 HydrophobicContact CE1-CE1 4.39Å; F359-F377 HydrophobicContact CE1-CG 4.17Å; F359-F377 HydrophobicContact CE2-CB 3.71Å; F359-F377 HydrophobicContact CE2-CG 4.44Å; F359-F377 HydrophobicContact CZ-CB 3.62Å; F359-F377 AromaticContact CZ-CD1 3.62Å; F359-F377 HydrophobicContact CZ-CD1 3.62Å; F359-F377 AromaticContact CZ-CG 3.87Å; F359-F377 HydrophobicContact CZ-CG 3.87Å; F359-F377 PolarHBondContact N-O 3.48Å; F359-F377 VanDerWaalsContact N-O 3.1Å; F359-F377 PolarHBondContact O-N 2.92Å; F361-F377 HydrophobicContact CE1-CB 4.4Å; F377-P380 HydrophobicContact CE1-CB 4.33Å; F377-P380 VanDerWaalsContact CZ-CA 3.48Å; F377-P380 HydrophobicContact CZ-CB 3.71Å
378S93.9Very high92.9Very high4 Ų414.9 Ų14.93%0.0289%0.093CC..  trans-118.1-24.3-178.1-64.90000113.2N27 N30 R376N27-S378 WeakPolarHBondContact O-CB 3.46Å; N27-S378 PolarHBondContact O-OG 3.06Å; N30-S378 PolarHBondContact OD1-N 2.86Å; R376-S378 WeakPolarHBondContact CD-OG 3.26Å; R376-S378 VanDerWaalsContact CG-OG 3.23Å; R376-S378 WeakPolarHBondContact CG-OG 3.21Å; R376-S378 PolarHBondContact NH1-OG 3.01Å
379S88.8Confident93.4Very high24 Ų2415.9 Ų15.917%0.16810%0.099CC..  trans-146.2122-178.3-167.10000109.7N30 K199N30-S379 PolarHBondContact ND2-O 2.72Å; N30-S379 PolarHBondContact OD1-N 3.16Å; N30-S379 PolarHBondContact OD1-O 2.76Å; K199-S379 PolarHBondContact NZ-OG 2.69Å
380P86Confident93.9Very high80 Ų8011 Ų1152%0.5197%0.074SC..  trans-71.10178.429-35.1000114.7F191 K199 V201 F377F191-P380 HydrophobicContact CB-CG 4.32Å; F191-P380 HydrophobicContact CD1-CG 4.32Å; F191-P380 HydrophobicContact CG-CG 4.43Å; K199-P380 HydrophobicContact CB-CG 3.8Å; K199-P380 HydrophobicContact CD-CG 4.07Å; V201-P380 HydrophobicContact CG1-CB 3.25Å; V201-P380 HydrophobicContact CG1-CG 3.37Å; F377-P380 HydrophobicContact CE1-CB 4.33Å; F377-P380 VanDerWaalsContact CZ-CA 3.48Å; F377-P380 HydrophobicContact CZ-CB 3.71Å

Retrieved 380 of 380 residues in 1530.3 ms (Link to these results)

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