A0A087XVY9_POEFO Loading...

Protein phosphatase 1F

Dephosphorylates and concomitantly deactivates CaM-kinase II activated upon autophosphorylation, and CaM-kinases IV and I activated upon phosphorylation by CaM-kinase kinase. Promotes apoptosis.

AlphaFold DB , UniProt , Accession A0A087XVY9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 417 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
1M56.9Low86.7Confident166 Ų16676.8 Ų76.882%0.81837%0.371SS*.  0-64.80-151.6177.2-52.600109E3 E4 E5M1-E3 PolarHBondContact O-N 2.92Å; M1-E4 PolarHBondContact O-N 3.41Å; M1-E5 WeakPolarHBondContact CG-OE1 3.39Å; M1-E5 WeakPolarHBondContact O-CG 3.43Å; M1-E5 PolarHBondContact O-N 2.64Å
2E75.5Confident87.6Confident92 Ų9281.7 Ų81.743%0.4339%0.389SS..Hα-helixtrans-58.3-42.9-179.8-67.6-178.4169.600115.1E5 A6 L129E2-E5 PolarHBondContact O-N 3.22Å; E2-A6 VanDerWaalsContact O-CB 3.23Å; E2-A6 WeakPolarHBondContact O-CB 3.42Å; E2-A6 PolarHBondContact O-N 3.41Å; E2-L129 HydrophobicContact CB-CD1 4.15Å
3E81.8Confident88.4Confident117 Ų11775.8 Ų75.855%0.54736%0.361SS..Hα-helixtrans-66.8-37.9178.4-69.8-177.8177.800113M1 A6 Q7 L125M1-E3 PolarHBondContact O-N 2.92Å; E3-A6 PolarHBondContact O-N 2.83Å; E3-Q7 WeakPolarHBondContact O-CB 3.4Å; E3-Q7 PolarHBondContact O-N 3.29Å; E3-L125 HydrophobicContact CB-CD2 4.04Å; E3-L125 HydrophobicContact CG-CD2 4.02Å
4E85.4Confident89Confident152 Ų15272 Ų7271%0.7135%0.345SS*.Hα-helixtrans-69.7-40.8178.2-69178.8155.100111M1 Q7 C8M1-E4 PolarHBondContact O-N 3.41Å; E4-Q7 PolarHBondContact O-N 2.71Å; E4-C8 VanDerWaalsContact O-CB 3.24Å; E4-C8 WeakPolarHBondContact O-CB 3.38Å; E4-C8 PolarHBondContact O-N 3.23Å
5E88.8Confident89.5Confident85 Ų8577.5 Ų77.540%0.39737%0.37SS..Hα-helixtrans-63.6-45173.6-74.3174.5-169.900111.7M1 E2 Q7 C8 F9 P59M1-E5 WeakPolarHBondContact CG-OE1 3.39Å; M1-E5 WeakPolarHBondContact O-CG 3.43Å; M1-E5 PolarHBondContact O-N 2.64Å; E2-E5 PolarHBondContact O-N 3.22Å; E5-Q7 PolarHBondContact O-N 2.93Å; E5-C8 PolarHBondContact O-N 3.19Å; E5-F9 WeakPolarHBondContact O-CB 3.41Å; E5-F9 PolarHBondContact O-N 2.82Å; E5-P59 HydrophobicContact CB-CG 4.3Å
6A90.7Very high90Very high0 Ų079 Ų790%038%0.377CS..Hα-helixtrans-59.7-46.6175.100000111.5E2 E3 C8 F9 L10 L62 L125 L129E2-A6 VanDerWaalsContact O-CB 3.23Å; E2-A6 WeakPolarHBondContact O-CB 3.42Å; E2-A6 PolarHBondContact O-N 3.41Å; E3-A6 PolarHBondContact O-N 2.83Å; A6-C8 PolarHBondContact O-N 3Å; A6-F9 PolarHBondContact O-N 3.21Å; A6-L10 WeakPolarHBondContact O-CB 3.44Å; A6-L10 VanDerWaalsContact O-CG 3.3Å; A6-L10 WeakPolarHBondContact O-CG 3.48Å; A6-L10 PolarHBondContact O-N 3.05Å; A6-L62 HydrophobicContact CB-CB 4.44Å; A6-L62 HydrophobicContact CB-CD2 3.91Å; A6-L125 HydrophobicContact CB-CD1 4.3Å; A6-L129 HydrophobicContact CB-CD1 3.67Å
7Q92.3Very high90.4Very high46 Ų4675.6 Ų75.622%0.21536%0.36CS..Hα-helixtrans-64.8-40.1177-172.268.751.300112.1E3 E4 E5 L10 K11 N122E3-Q7 WeakPolarHBondContact O-CB 3.4Å; E3-Q7 PolarHBondContact O-N 3.29Å; E4-Q7 PolarHBondContact O-N 2.71Å; E5-Q7 PolarHBondContact O-N 2.93Å; Q7-L10 PolarHBondContact O-N 2.74Å; Q7-K11 WeakPolarHBondContact O-CG 3.36Å; Q7-K11 PolarHBondContact O-N 3.34Å; Q7-K11 VanDerWaalsContact O-N 3.09Å; Q7-N122 PolarHBondContact NE2-O 3.27Å; Q7-N122 PolarHBondContact NE2-OD1 2.89Å; Q7-N122 VanDerWaalsContact NE2-OD1 3.09Å
8C94Very high90.7Very high62 Ų6276.6 Ų76.642%0.41937%0.373SS..Hα-helixtrans-62-45.2175.9-176.90000111.2E4 E5 A6 K11 K12E4-C8 VanDerWaalsContact O-CB 3.24Å; E4-C8 WeakPolarHBondContact O-CB 3.38Å; E4-C8 PolarHBondContact O-N 3.23Å; E5-C8 PolarHBondContact O-N 3.19Å; A6-C8 PolarHBondContact O-N 3Å; C8-K11 PolarHBondContact O-N 3.19Å; C8-K12 PolarHBondContact O-N 3.33Å
9F95.8Very high91Very high15 Ų1575.7 Ų75.77%0.06638%0.38CS..Hα-helixtrans-62.4-47.3175.8176.2-92.2000111.9E5 A6 K11 K12 L13 L53 R56 A58 L62E5-F9 WeakPolarHBondContact O-CB 3.41Å; E5-F9 PolarHBondContact O-N 2.82Å; A6-F9 PolarHBondContact O-N 3.21Å; F9-K11 VanDerWaalsContact C-N 3.3Å; F9-K11 PolarHBondContact O-N 2.61Å; F9-K12 PolarHBondContact O-N 2.85Å; F9-K12 VanDerWaalsContact O-N 3.17Å; F9-L13 HydrophobicContact CE1-CB 4.2Å; F9-L13 HydrophobicContact CE1-CD2 3.88Å; F9-L13 HydrophobicContact CE1-CG 4.48Å; F9-L13 HydrophobicContact CZ-CB 4.42Å; F9-L13 HydrophobicContact CZ-CD1 4.37Å; F9-L13 HydrophobicContact CZ-CD2 4.33Å; F9-L13 PolarHBondContact O-N 3.06Å; F9-L53 HydrophobicContact CE1-CD2 3.9Å; F9-L53 HydrophobicContact CZ-CD2 3.75Å; F9-R56 HydrophobicContact CE2-CB 3.74Å; F9-R56 WeakPolarHBondContact CE2-O 3.41Å; F9-R56 HydrophobicContact CZ-CB 4.22Å; F9-A58 HydrophobicContact CD1-CB 4.26Å; F9-A58 HydrophobicContact CD2-CB 4.14Å; F9-A58 HydrophobicContact CE1-CB 3.72Å; F9-A58 VanDerWaalsContact CE2-CA 3.47Å; F9-A58 HydrophobicContact CE2-CB 3.6Å; F9-A58 HydrophobicContact CG-CB 4.46Å; F9-A58 HydrophobicContact CZ-CB 3.38Å; F9-L62 HydrophobicContact CB-CD2 4.47Å; F9-L62 HydrophobicContact CD1-CD2 3.58Å; F9-L62 HydrophobicContact CE1-CD2 4.31Å; F9-L62 HydrophobicContact CG-CD2 4.38Å
10L96.4Very high91.3Very high0 Ų075.1 Ų75.10%039%0.387CS..Hα-helixtrans-59-40.2179.5-75.8171.2000112.4A6 Q7 L13 V14 L62 L66 A118 W121 N122 L125A6-L10 WeakPolarHBondContact O-CB 3.44Å; A6-L10 VanDerWaalsContact O-CG 3.3Å; A6-L10 WeakPolarHBondContact O-CG 3.48Å; A6-L10 PolarHBondContact O-N 3.05Å; Q7-L10 PolarHBondContact O-N 2.74Å; L10-L13 PolarHBondContact O-N 3.24Å; L10-V14 WeakPolarHBondContact O-CB 3.43Å; L10-V14 WeakPolarHBondContact O-CG2 3.23Å; L10-V14 PolarHBondContact O-N 3.13Å; L10-L62 HydrophobicContact CD1-CD1 4.35Å; L10-L62 HydrophobicContact CD1-CD2 4.45Å; L10-L62 HydrophobicContact CD2-CD1 4.44Å; L10-L62 HydrophobicContact CD2-CD2 4.22Å; L10-L62 HydrophobicContact CG-CD2 3.93Å; L10-L66 HydrophobicContact CD2-CD1 4.25Å; L10-L66 HydrophobicContact CD2-CD2 4.45Å; L10-A118 HydrophobicContact CD2-CB 4.05Å; L10-W121 HydrophobicContact CD1-CB 3.97Å; L10-N122 HydrophobicContact CB-CB 4.25Å; L10-L125 HydrophobicContact CD1-CD1 3.52Å
11K96.4Very high91.5Very high110 Ų11072.9 Ų72.948%0.47838%0.376SS..Hα-helixtrans-58.1-50.4174.8-74.3173.6-179.7174.30111.5Q7 C8 F9 L13 V14 E15 N122Q7-K11 WeakPolarHBondContact O-CG 3.36Å; Q7-K11 PolarHBondContact O-N 3.34Å; Q7-K11 VanDerWaalsContact O-N 3.09Å; C8-K11 PolarHBondContact O-N 3.19Å; F9-K11 VanDerWaalsContact C-N 3.3Å; F9-K11 PolarHBondContact O-N 2.61Å; K11-L13 PolarHBondContact O-N 2.88Å; K11-V14 PolarHBondContact O-N 2.66Å; K11-E15 WeakPolarHBondContact O-CG 3.34Å; K11-E15 PolarHBondContact O-N 3.47Å; K11-N122 VanDerWaalsContact CG-OD1 3.25Å; K11-N122 WeakPolarHBondContact CG-OD1 3.38Å; K11-N122 PolarHBondContact N-OD1 2.8Å
12K97.4Very high93.2Very high135 Ų13573.1 Ų73.159%0.58737%0.372SS*.Hα-helixtrans-61.1-43.2177.9-66.1176.5-177.1177.90111.9C8 F9 E15 E16C8-K12 PolarHBondContact O-N 3.33Å; F9-K12 PolarHBondContact O-N 2.85Å; F9-K12 VanDerWaalsContact O-N 3.17Å; K12-E15 PolarHBondContact O-N 3.09Å; K12-E16 PolarHBondContact O-N 2.78Å; K12-E16 VanDerWaalsContact O-N 3.08Å
13L97.4Very high93.8Very high5 Ų576.8 Ų76.83%0.02639%0.389CS..Hα-helixtrans-64.4-41.6179.8-17369.9000111.7F9 L10 K11 E16 F17 L53 L66 L114 A118F9-L13 HydrophobicContact CE1-CB 4.2Å; F9-L13 HydrophobicContact CE1-CD2 3.88Å; F9-L13 HydrophobicContact CE1-CG 4.48Å; F9-L13 HydrophobicContact CZ-CB 4.42Å; F9-L13 HydrophobicContact CZ-CD1 4.37Å; F9-L13 HydrophobicContact CZ-CD2 4.33Å; F9-L13 PolarHBondContact O-N 3.06Å; L10-L13 PolarHBondContact O-N 3.24Å; K11-L13 PolarHBondContact O-N 2.88Å; L13-E16 PolarHBondContact O-N 2.98Å; L13-F17 HydrophobicContact CD1-CD2 3.75Å; L13-F17 HydrophobicContact CD1-CE2 3.93Å; L13-F17 HydrophobicContact CG-CD2 4.34Å; L13-F17 WeakPolarHBondContact O-CD2 3.42Å; L13-F17 PolarHBondContact O-N 3.13Å; L13-L53 HydrophobicContact CD1-CD2 4.33Å; L13-L53 HydrophobicContact CD2-CD2 3.84Å; L13-L66 HydrophobicContact CD2-CD1 4.44Å; L13-L114 HydrophobicContact CD2-CD2 4.45Å; L13-A118 HydrophobicContact CD2-CB 3.81Å
14V97Very high94Very high23 Ų2378.8 Ų78.814%0.13940%0.404CS..Hα-helixtrans-70.9-32.7177.8164.80000112.2L10 K11 E16 F17 P18 A118 L119 N122L10-V14 WeakPolarHBondContact O-CB 3.43Å; L10-V14 WeakPolarHBondContact O-CG2 3.23Å; L10-V14 PolarHBondContact O-N 3.13Å; K11-V14 PolarHBondContact O-N 2.66Å; V14-E16 VanDerWaalsContact C-N 3.35Å; V14-F17 CarbonylContact O-C 3.44Å; V14-P18 WeakPolarHBondContact O-CA 3.47Å; V14-P18 VanDerWaalsContact O-N 3.11Å; V14-A118 HydrophobicContact CG2-CB 4.43Å; V14-L119 HydrophobicContact CB-CD2 4.29Å; V14-L119 HydrophobicContact CG1-CD2 3.48Å; V14-L119 VanDerWaalsContact CG1-CD2 3.48Å; V14-L119 HydrophobicContact CG2-CD2 3.94Å; V14-L119 HydrophobicContact CG2-CG 4.26Å; V14-N122 HydrophobicContact CG2-CB 3.97Å
15E97.4Very high94.2Very high155 Ų15573 Ų7372%0.72438%0.383SS*.Hα-helixtrans-64.2-40.3171.9-75.9171.1-175.700111.8K11 K12K11-E15 WeakPolarHBondContact O-CG 3.34Å; K11-E15 PolarHBondContact O-N 3.47Å; K12-E15 PolarHBondContact O-N 3.09Å
16E96.7Very high94.3Very high101 Ų10174.2 Ų74.247%0.47240%0.398SS..Hα-helixtrans-71.6-40.1175.7-170.1-176.3171.300112.3K12 L13 V14 P18 R56K12-E16 PolarHBondContact O-N 2.78Å; K12-E16 VanDerWaalsContact O-N 3.08Å; L13-E16 PolarHBondContact O-N 2.98Å; V14-E16 VanDerWaalsContact C-N 3.35Å; E16-P18 VanDerWaalsContact C-CD 3.45Å; E16-P18 VanDerWaalsContact O-CD 3.3Å; E16-P18 WeakPolarHBondContact O-CD 3.38Å; E16-R56 IonicContact OE1-CZ 3.48Å; E16-R56 IonicContact OE1-NE 3.64Å; E16-R56 PolarHBondContact OE1-NE 2.84Å; E16-R56 IonicContact OE1-NH2 3.23Å; E16-R56 PolarHBondContact OE1-NH2 3.09Å; E16-R56 IonicContact OE2-CZ 2.83Å; E16-R56 IonicContact OE2-NE 3.88Å; E16-R56 PolarHBondContact OE2-NE 2.72Å; E16-R56 IonicContact OE2-NH2 3.52Å
17F96.8Very high94.5Very high22 Ų2275.5 Ų75.510%0.09640%0.404CS..  trans-121.173.6-178.6-57.5-75.9000111.6L13 V14 A19 L21 P28 L52 I115L13-F17 HydrophobicContact CD1-CD2 3.75Å; L13-F17 HydrophobicContact CD1-CE2 3.93Å; L13-F17 HydrophobicContact CG-CD2 4.34Å; L13-F17 WeakPolarHBondContact O-CD2 3.42Å; L13-F17 PolarHBondContact O-N 3.13Å; V14-F17 CarbonylContact O-C 3.44Å; F17-A19 PolarHBondContact O-N 2.93Å; F17-L21 HydrophobicContact CD1-CD2 4.03Å; F17-L21 HydrophobicContact CE1-CD2 4.2Å; F17-P28 HydrophobicContact CE1-CB 4.1Å; F17-P28 HydrophobicContact CE1-CG 4.18Å; F17-P28 HydrophobicContact CZ-CB 3.88Å; F17-P28 HydrophobicContact CZ-CG 4.19Å; F17-L52 HydrophobicContact CZ-CD1 4.49Å; F17-I115 HydrophobicContact CB-CD1 3.91Å; F17-I115 HydrophobicContact CB-CG1 3.82Å; F17-I115 HydrophobicContact CB-CG2 4.1Å; F17-I115 HydrophobicContact CD1-CD1 4.04Å; F17-I115 HydrophobicContact CG-CD1 4.11Å; F17-I115 HydrophobicContact CG-CG1 4.21Å; F17-I115 WeakPolarHBondContact O-CG2 3.17Å
18P96.5Very high94.6Very high92 Ų9275.5 Ų75.560%0.59741%0.408SS*.SBendtrans-73.8-12.4-175.529.4-36.5000113.6V14 E16V14-P18 WeakPolarHBondContact O-CA 3.47Å; V14-P18 VanDerWaalsContact O-N 3.11Å; E16-P18 VanDerWaalsContact C-CD 3.45Å; E16-P18 VanDerWaalsContact O-CD 3.3Å; E16-P18 WeakPolarHBondContact O-CD 3.38Å
19A96.4Very high94.6Very high60 Ų6073.4 Ų73.450%0.49639%0.394SS..SBendtrans-155.5171.4-178.900000110.8F17F17-A19 PolarHBondContact O-N 2.93Å
20A96.1Very high94.5Very high64 Ų6476.6 Ų76.653%0.52942%0.417SS..PPolyproline II helixtrans-54.5143.417400000112.1K22 N112A20-K22 PolarHBondContact O-N 3.27Å; A20-N112 WeakPolarHBondContact CA-OD1 3.24Å; A20-N112 HydrophobicContact CB-CB 4.3Å
21L95.9Very high94.2Very high28 Ų2878.3 Ų78.315%0.14743%0.429CS..PPolyproline II helixtrans-61.8132.7172.9-57.5178.4000109.8F17 L27 P28 R108 L111 N112 I115F17-L21 HydrophobicContact CD1-CD2 4.03Å; F17-L21 HydrophobicContact CE1-CD2 4.2Å; L21-L27 HydrophobicContact CD1-CD2 4.45Å; L21-P28 HydrophobicContact CD1-CG 4.46Å; L21-R108 HydrophobicContact CB-CG 4.02Å; L21-R108 HydrophobicContact CD1-CG 4.38Å; L21-L111 HydrophobicContact CD1-CB 3.89Å; L21-L111 HydrophobicContact CD1-CD1 3.91Å; L21-N112 WeakPolarHBondContact CB-OD1 3.38Å; L21-N112 PolarHBondContact N-OD1 2.8Å; L21-I115 HydrophobicContact CD1-CD1 4.49Å; L21-I115 HydrophobicContact CD2-CD1 4.07Å; L21-I115 HydrophobicContact CG-CD1 3.86Å
22K93.3Very high93.9Very high171 Ų17176 Ų7674%0.74342%0.422SS*.PPolyproline II helixtrans-64.3151.6172.3-60.3-179.6-178.6178.20110.1A20 D24 A25 R108A20-K22 PolarHBondContact O-N 3.27Å; K22-D24 VanDerWaalsContact C-N 3.3Å; K22-D24 PolarHBondContact O-N 3.18Å; K22-A25 HydrophobicContact CB-CB 4.18Å; K22-A25 PolarHBondContact O-N 3.1Å; K22-R108 WeakPolarHBondContact O-CD 3.34Å; K22-R108 PolarHBondContact O-NH1 3.29Å
23E87Confident93.7Very high169 Ų16970 Ų7079%0.7940%0.397SS*.THydrogen-bonded Turntrans-55.4-42.3-176.8-164.1168.7-178.600112.7R108E23-R108 VanDerWaalsContact O-CZ 3.27Å; E23-R108 PolarHBondContact O-NE 3.33Å
24D85.9Confident93.4Very high160 Ų16080.6 Ų80.686%0.85644%0.437SS*.THydrogen-bonded Turntrans-93.70.8-178.1-55.5-48.5000114.7K22K22-D24 VanDerWaalsContact C-N 3.3Å; K22-D24 PolarHBondContact O-N 3.18Å
25A89.6Confident93.3Very high31 Ų3183.2 Ų83.226%0.25644%0.444SS..SBendtrans-73.3140.7-179.100000110.3K22 R108K22-A25 HydrophobicContact CB-CB 4.18Å; K22-A25 PolarHBondContact O-N 3.1Å; A25-R108 PolarHBondContact O-NH1 2.88Å; A25-R108 PolarHBondContact O-NH2 3.45Å
26P91.4Very high93.2Very high110 Ų11075.9 Ų75.971%0.71441%0.41SS*.PPolyproline II helixtrans-59.5146.8173.226.2-34.2000111
27L95.2Very high93.1Very high27 Ų2771.3 Ų71.314%0.14139%0.389CS..PPolyproline II helixtrans-65.2141.4172.3-63.9-177.4000110.3L21 V29 E104 Q107 R108 L111L21-L27 HydrophobicContact CD1-CD2 4.45Å; L27-V29 WeakPolarHBondContact CB-O 3.44Å; L27-V29 PolarHBondContact O-N 3.17Å; L27-E104 HydrophobicContact CD1-CG 3.78Å; L27-E104 HydrophobicContact CD2-CG 4.49Å; L27-E104 HydrophobicContact CG-CG 3.82Å; L27-Q107 HydrophobicContact CD1-CB 4.06Å; L27-R108 HydrophobicContact CD2-CB 3.85Å; L27-R108 HydrophobicContact CD2-CG 4.36Å; L27-L111 HydrophobicContact CD2-CD1 4.18Å
28P94.7Very high93Very high46 Ų4674.8 Ų74.830%0.29941%0.408SS..SBendtrans-67-16.1177.327.7-35.8000113.3F17 L21 L52 L111F17-P28 HydrophobicContact CE1-CB 4.1Å; F17-P28 HydrophobicContact CE1-CG 4.18Å; F17-P28 HydrophobicContact CZ-CB 3.88Å; F17-P28 HydrophobicContact CZ-CG 4.19Å; L21-P28 HydrophobicContact CD1-CG 4.46Å; P28-L52 HydrophobicContact CB-CD1 3.73Å; P28-L52 HydrophobicContact CG-CD1 3.73Å; P28-L111 HydrophobicContact CG-CD1 3.68Å
29V93.8Very high93Very high18 Ų1874.6 Ų74.611%0.10940%0.399CS..SBendtrans-138.1140.3171.8179.10000108.2L27 L48 R51 L52L27-V29 WeakPolarHBondContact CB-O 3.44Å; L27-V29 PolarHBondContact O-N 3.17Å; V29-L48 HydrophobicContact CB-CD1 3.84Å; V29-L48 HydrophobicContact CG1-CD1 3.78Å; V29-R51 HydrophobicContact CG1-CB 4.21Å; V29-L52 HydrophobicContact CG2-CB 3.77Å; V29-L52 HydrophobicContact CG2-CD1 3.6Å; V29-L52 HydrophobicContact CG2-CG 4.33Å
30S92.8Very high93Very high81 Ų8171.8 Ų71.857%0.56638%0.376SS*.  trans-64.9135.4176.656.60000112.1R51S30-R51 PolarHBondContact O-NH1 3.3Å; S30-R51 VanDerWaalsContact O-NH1 3.17Å; S30-R51 PolarHBondContact OG-NH2 3.06Å
31S91.6Very high93.1Very high36 Ų3668.8 Ų68.825%0.25235%0.351SS..  trans-61.8150.9168.361.80000110.8S33 S103S31-S33 VanDerWaalsContact C-N 3.35Å; S31-S33 WeakPolarHBondContact CB-O 3.25Å; S31-S33 PolarHBondContact OG-O 3.18Å; S31-S103 WeakPolarHBondContact CB-OG 3.48Å
32L89.8Confident93.3Very high63 Ų6368.4 Ų68.433%0.3335%0.349SS..SBendtrans-71.3-36.1176.5-65.3173.8000111.4E44 E47 T190L32-E44 HydrophobicContact CD1-CB 4.36Å; L32-E44 HydrophobicContact CD1-CG 4.17Å; L32-E47 HydrophobicContact CD1-CB 4.03Å; L32-E47 HydrophobicContact CD1-CG 3.71Å; L32-E47 HydrophobicContact CD2-CG 4.36Å; L32-E47 HydrophobicContact CG-CG 4.42Å; L32-T190 HydrophobicContact CD1-CG2 3.83Å
33S92.1Very high93.5Very high9 Ų960.4 Ų60.46%0.06331%0.314CS..  trans-124.5160.4-176.5-57.80000110.8S31 R35 E44 S103 K224S31-S33 VanDerWaalsContact C-N 3.35Å; S31-S33 WeakPolarHBondContact CB-O 3.25Å; S31-S33 PolarHBondContact OG-O 3.18Å; S33-R35 WeakPolarHBondContact CB-O 3.45Å; S33-E44 WeakPolarHBondContact CB-OE1 3.18Å; S33-E44 WeakPolarHBondContact CB-OE2 3.44Å; S33-E44 PolarHBondContact OG-OE1 3.42Å; S33-E44 PolarHBondContact OG-OE2 3.26Å; S33-S103 WeakPolarHBondContact O-CB 3.4Å; S33-S103 PolarHBondContact O-OG 2.96Å; S33-S103 VanDerWaalsContact O-OG 3.13Å; S33-K224 PolarHBondContact OG-NZ 3.49Å
34R92.1Very high94Very high226 Ų22652.6 Ų52.685%0.85328%0.278SS*.SBendtrans-79.6-30.5167.1-65.9-175.7-177.9-176.40.3111.7S103R34-S103 VanDerWaalsContact C-CB 3.45Å; R34-S103 VanDerWaalsContact O-CB 3.24Å; R34-S103 WeakPolarHBondContact O-CB 3.32Å; R34-S103 PolarHBondContact O-N 3.4Å
35R93.9Very high94.7Very high79 Ų7945 Ų4530%0.29824%0.237SC..EExtended strand (participates in β ladder)trans-135.7143.6-179.8-60178.8-175.5162.40108.9S33 A88 L101S33-R35 WeakPolarHBondContact CB-O 3.45Å; R35-A88 VanDerWaalsContact CZ-CB 3.44Å; R35-A88 PolarHBondContact NH1-O 2.98Å; R35-A88 VanDerWaalsContact NH2-CB 3.32Å; R35-L101 WeakPolarHBondContact CA-O 3.46Å
36V95.6Very high95.1Very high0 Ų043.5 Ų43.50%023%0.225CC..EExtended strand (participates in β ladder)trans-131.1135-177.567.50000109.4E40 L41 E44 L101 V106V36-E40 HydrophobicContact CG2-CB 3.51Å; V36-L41 HydrophobicContact CG1-CD1 4.17Å; V36-L41 HydrophobicContact CG2-CB 4.48Å; V36-E44 HydrophobicContact CG2-CB 4.27Å; V36-E44 HydrophobicContact CG2-CG 3.98Å; V36-L101 HydrophobicContact CG1-CB 3.95Å; V36-L101 PolarHBondContact N-O 2.99Å; V36-L101 PolarHBondContact O-N 3.43Å; V36-V106 HydrophobicContact CG1-CG1 3.69Å
37S95.4Very high95.4Very high6 Ų641 Ų414%0.04220%0.204CC..EExtended strand (participates in β ladder)trans-82165.1170.964.80000111.3E39 E40 L41S37-E39 PolarHBondContact O-N 3.35Å; S37-E40 VanDerWaalsContact CB-OE2 3.31Å; S37-E40 WeakPolarHBondContact CB-OE2 3.31Å; S37-E40 PolarHBondContact N-OE2 3.04Å; S37-E40 PolarHBondContact O-N 3.31Å; S37-E40 VanDerWaalsContact O-N 3.1Å; S37-E40 VanDerWaalsContact OG-CG 3.24Å; S37-E40 WeakPolarHBondContact OG-CG 3.42Å; S37-E40 PolarHBondContact OG-N 3.48Å; S37-E40 PolarHBondContact OG-OE2 2.9Å; S37-L41 PolarHBondContact O-N 3.44Å
38L95Very high95.5Very high95 Ų9539.9 Ų39.950%0.49720%0.198SC..Hα-helixtrans-59.9-31.1175.2-65.7176.5000112.9L79 V99 L101L38-L79 HydrophobicContact CD2-CD1 4.19Å; L38-V99 HydrophobicContact CD1-CB 4.44Å; L38-L101 HydrophobicContact CD2-CD1 4.04Å
39E95.2Very high95.7Very high87 Ų8737.7 Ų37.741%0.40718%0.184SC..Hα-helixtrans-73.6-30.3177.3-54.8-158.3110.500112.4S37 K216 M220S37-E39 PolarHBondContact O-N 3.35Å; E39-K216 VanDerWaalsContact CD-NZ 3.28Å; E39-K216 WeakPolarHBondContact OE1-CE 3.34Å; E39-K216 IonicContact OE1-NZ 3.97Å; E39-K216 PolarHBondContact OE1-NZ 3.44Å; E39-K216 IonicContact OE2-NZ 3.07Å; E39-K216 PolarHBondContact OE2-NZ 2.92Å; E39-M220 HydrophobicContact CB-CE 3.8Å; E39-M220 HydrophobicContact CB-CG 4.42Å; E39-M220 HydrophobicContact CB-SD 4.28Å; E39-M220 WeakPolarHBondContact O-CE 3.42Å
40E97.7Very high95.8Very high1 Ų138.2 Ų38.21%0.00519%0.185CC..Hα-helixtrans-83.5-27.5179.2-70.1161.5153.900112.4V36 S37 Q42 G43 E44 Y187 H191 M220 K224 R227V36-E40 HydrophobicContact CG2-CB 3.51Å; S37-E40 VanDerWaalsContact CB-OE2 3.31Å; S37-E40 WeakPolarHBondContact CB-OE2 3.31Å; S37-E40 PolarHBondContact N-OE2 3.04Å; S37-E40 PolarHBondContact O-N 3.31Å; S37-E40 VanDerWaalsContact O-N 3.1Å; S37-E40 VanDerWaalsContact OG-CG 3.24Å; S37-E40 WeakPolarHBondContact OG-CG 3.42Å; S37-E40 PolarHBondContact OG-N 3.48Å; S37-E40 PolarHBondContact OG-OE2 2.9Å; E40-Q42 PolarHBondContact O-N 2.87Å; E40-G43 PolarHBondContact O-N 3.06Å; E40-E44 HydrophobicContact CB-CG 4.45Å; E40-E44 PolarHBondContact O-N 3.47Å; E40-Y187 HydrophobicContact CG-CE2 4.03Å; E40-Y187 VanDerWaalsContact CG-OH 3.22Å; E40-Y187 WeakPolarHBondContact CG-OH 3.37Å; E40-Y187 WeakPolarHBondContact OE1-CE2 3.48Å; E40-Y187 PolarHBondContact OE1-OH 3.06Å; E40-H191 PolarHBondContact O-CE1 2.97Å; E40-H191 VanDerWaalsContact O-CE1 3.32Å; E40-M220 HydrophobicContact CG-CE 4.48Å; E40-K224 WeakPolarHBondContact OE1-CB 3.46Å; E40-R227 IonicContact OE1-NH2 2.87Å; E40-R227 PolarHBondContact OE1-NH2 3.22Å; E40-R227 IonicContact OE2-CZ 3.24Å; E40-R227 IonicContact OE2-NH1 3.2Å; E40-R227 IonicContact OE2-NH2 3.88Å; E40-R227 PolarHBondContact OE2-NH2 3.29Å
41L98.1Very high96Very high2 Ų238.3 Ų38.31%0.0117%0.173CC..Hα-helixtrans-49.7-52.3-168.1179.762.8000113.5V36 S37 G43 E44 S45 L74 L75 L79 L101 V106V36-L41 HydrophobicContact CG1-CD1 4.17Å; V36-L41 HydrophobicContact CG2-CB 4.48Å; S37-L41 PolarHBondContact O-N 3.44Å; L41-G43 VanDerWaalsContact C-N 3.35Å; L41-G43 PolarHBondContact O-N 3.22Å; L41-E44 PolarHBondContact O-N 3.45Å; L41-S45 WeakPolarHBondContact O-CB 3.44Å; L41-S45 PolarHBondContact O-N 2.79Å; L41-S45 PolarHBondContact O-OG 3.36Å; L41-S45 VanDerWaalsContact O-OG 3.13Å; L41-L74 HydrophobicContact CD1-CD2 4.02Å; L41-L74 HydrophobicContact CD2-CD2 4.21Å; L41-L74 HydrophobicContact CD2-CG 4.48Å; L41-L74 HydrophobicContact CG-CD2 4.03Å; L41-L75 HydrophobicContact CD2-CD2 4.36Å; L41-L79 HydrophobicContact CD2-CD1 3.33Å; L41-L101 HydrophobicContact CD1-CD1 4.41Å; L41-L101 HydrophobicContact CD2-CD1 4.22Å; L41-V106 HydrophobicContact CD1-CB 4.42Å; L41-V106 HydrophobicContact CD1-CG1 3.86Å; L41-V106 HydrophobicContact CD1-CG2 3.64Å; L41-V106 HydrophobicContact CD2-CG2 4.48Å
42Q98.4Very high96.3Very high20 Ų2036.8 Ų36.89%0.09316%0.162CC..Hα-helixtrans-61.5-43.5-177.7-175.71776.700111.8E40 L46 V71 L75 V194E40-Q42 PolarHBondContact O-N 2.87Å; Q42-L46 HydrophobicContact CG-CD1 4.01Å; Q42-L46 HydrophobicContact CG-CG 4.43Å; Q42-L46 WeakPolarHBondContact O-CB 3.42Å; Q42-L46 WeakPolarHBondContact O-CG 3.41Å; Q42-L46 PolarHBondContact O-N 2.92Å; Q42-V71 HydrophobicContact CB-CG2 4.46Å; Q42-V71 HydrophobicContact CG-CG2 3.92Å; Q42-L75 HydrophobicContact CB-CD2 4.5Å; Q42-L75 HydrophobicContact CG-CD1 4.29Å; Q42-V194 HydrophobicContact CB-CG1 4.19Å; Q42-V194 HydrophobicContact CG-CG1 4Å
43G98.4Very high96.6Very high2 Ų233.8 Ų33.82%0.02115%0.146CC..Hα-helixtrans-67.3-46.5-179.700000112.2E40 L41 S45 L46 E47E40-G43 PolarHBondContact O-N 3.06Å; L41-G43 VanDerWaalsContact C-N 3.35Å; L41-G43 PolarHBondContact O-N 3.22Å; G43-S45 VanDerWaalsContact C-N 3.33Å; G43-S45 PolarHBondContact O-N 3.3Å; G43-L46 PolarHBondContact O-N 3.16Å; G43-E47 WeakPolarHBondContact O-CB 3.35Å; G43-E47 PolarHBondContact O-N 2.83Å
44E98.5Very high96.7Very high5 Ų535.5 Ų35.52%0.02316%0.161CC..Hα-helixtrans-65.2-36.9179.2-64.2-158.6-174.900112.4L32 S33 V36 E40 L41 L48 T190L32-E44 HydrophobicContact CD1-CB 4.36Å; L32-E44 HydrophobicContact CD1-CG 4.17Å; S33-E44 WeakPolarHBondContact CB-OE1 3.18Å; S33-E44 WeakPolarHBondContact CB-OE2 3.44Å; S33-E44 PolarHBondContact OG-OE1 3.42Å; S33-E44 PolarHBondContact OG-OE2 3.26Å; V36-E44 HydrophobicContact CG2-CB 4.27Å; V36-E44 HydrophobicContact CG2-CG 3.98Å; E40-E44 HydrophobicContact CB-CG 4.45Å; E40-E44 PolarHBondContact O-N 3.47Å; L41-E44 PolarHBondContact O-N 3.45Å; E44-L48 WeakPolarHBondContact O-CB 3.12Å; E44-L48 PolarHBondContact O-N 2.87Å; E44-T190 HydrophobicContact CG-CG2 4.46Å
45S98.6Very high96.9Very high0 Ų028.7 Ų28.70%015%0.153CC..Hα-helixtrans-68.9-44.1176-67.90000112.7L41 G43 E47 L48 G49 L74 Q107 F110L41-S45 WeakPolarHBondContact O-CB 3.44Å; L41-S45 PolarHBondContact O-N 2.79Å; L41-S45 PolarHBondContact O-OG 3.36Å; L41-S45 VanDerWaalsContact O-OG 3.13Å; G43-S45 VanDerWaalsContact C-N 3.33Å; G43-S45 PolarHBondContact O-N 3.3Å; S45-E47 PolarHBondContact O-N 3.43Å; S45-L48 PolarHBondContact O-N 2.88Å; S45-G49 PolarHBondContact O-N 2.89Å; S45-L74 WeakPolarHBondContact OG-CD2 3.36Å; S45-Q107 VanDerWaalsContact CA-OE1 3.25Å; S45-Q107 VanDerWaalsContact OG-CD 3.29Å; S45-Q107 PolarHBondContact OG-NE2 2.93Å; S45-Q107 VanDerWaalsContact OG-NE2 3.08Å; S45-Q107 PolarHBondContact OG-OE1 2.94Å; S45-F110 WeakPolarHBondContact O-CE1 3.49Å; S45-F110 WeakPolarHBondContact O-CZ 3.35Å
46L98.4Very high97Very high1 Ų128.4 Ų28.41%0.00515%0.152CC..Hα-helixtrans-61.2-44.4175.5-72.9177.4000111.3Q42 G43 G49 Q50 C67 V71 L161 F162 V194Q42-L46 HydrophobicContact CG-CD1 4.01Å; Q42-L46 HydrophobicContact CG-CG 4.43Å; Q42-L46 WeakPolarHBondContact O-CB 3.42Å; Q42-L46 WeakPolarHBondContact O-CG 3.41Å; Q42-L46 PolarHBondContact O-N 2.92Å; G43-L46 PolarHBondContact O-N 3.16Å; L46-G49 PolarHBondContact O-N 2.87Å; L46-Q50 WeakPolarHBondContact O-CB 3.23Å; L46-Q50 VanDerWaalsContact O-CG 3.28Å; L46-Q50 WeakPolarHBondContact O-CG 3.43Å; L46-Q50 PolarHBondContact O-N 2.92Å; L46-C67 HydrophobicContact CD2-CB 3.81Å; L46-V71 HydrophobicContact CD2-CB 4.08Å; L46-V71 HydrophobicContact CD2-CG1 3.84Å; L46-V71 HydrophobicContact CD2-CG2 4.5Å; L46-V71 HydrophobicContact CG-CG1 4.44Å; L46-V71 HydrophobicContact CG-CG2 4.47Å; L46-L161 HydrophobicContact CD1-CD1 4.43Å; L46-L161 HydrophobicContact CD1-CD2 4.29Å; L46-L161 HydrophobicContact CD1-CG 4.13Å; L46-L161 HydrophobicContact CD2-CD1 3.85Å; L46-L161 HydrophobicContact CD2-CG 4.4Å; L46-F162 HydrophobicContact CD1-CD1 4.46Å; L46-F162 HydrophobicContact CD1-CE1 3.83Å; L46-V194 HydrophobicContact CD1-CG2 4.48Å
47E97.9Very high96.9Very high58 Ų5830.2 Ų30.227%0.27117%0.17SC..Hα-helixtrans-63.6-41.3177.4179.156.5-159.700112L32 G43 S45 Q50 R51 T190L32-E47 HydrophobicContact CD1-CB 4.03Å; L32-E47 HydrophobicContact CD1-CG 3.71Å; L32-E47 HydrophobicContact CD2-CG 4.36Å; L32-E47 HydrophobicContact CG-CG 4.42Å; G43-E47 WeakPolarHBondContact O-CB 3.35Å; G43-E47 PolarHBondContact O-N 2.83Å; S45-E47 PolarHBondContact O-N 3.43Å; E47-Q50 PolarHBondContact O-N 2.87Å; E47-R51 WeakPolarHBondContact O-CB 3.33Å; E47-R51 VanDerWaalsContact O-CG 3.31Å; E47-R51 WeakPolarHBondContact O-CG 3.28Å; E47-R51 PolarHBondContact O-N 3.42Å; E47-R51 WeakPolarHBondContact OE1-CD 3.5Å; E47-R51 WeakPolarHBondContact OE1-CG 3.45Å; E47-T190 HydrophobicContact CB-CG2 4.11Å
48L97.9Very high96.8Very high2 Ų230.3 Ų30.31%0.0117%0.172CC..Hα-helixtrans-60.7-48.6175.2-174.380000112.1V29 E44 S45 R51 L52 Q107 F110 L111V29-L48 HydrophobicContact CB-CD1 3.84Å; V29-L48 HydrophobicContact CG1-CD1 3.78Å; E44-L48 WeakPolarHBondContact O-CB 3.12Å; E44-L48 PolarHBondContact O-N 2.87Å; S45-L48 PolarHBondContact O-N 2.88Å; L48-R51 PolarHBondContact O-N 2.99Å; L48-L52 WeakPolarHBondContact O-CB 3.36Å; L48-L52 PolarHBondContact O-N 2.99Å; L48-Q107 HydrophobicContact CD2-CB 3.65Å; L48-Q107 HydrophobicContact CD2-CG 4.03Å; L48-F110 HydrophobicContact CD2-CD1 4.28Å; L48-L111 HydrophobicContact CD2-CD1 4.1Å; L48-L111 HydrophobicContact CD2-CD2 4.08Å; L48-L111 HydrophobicContact CD2-CG 3.96Å
49G98.1Very high96.6Very high0 Ų027.4 Ų27.40%016%0.158CC..Hα-helixtrans-63.5-43.7179.300000111.9S45 L46 L52 L53 C67S45-G49 PolarHBondContact O-N 2.89Å; L46-G49 PolarHBondContact O-N 2.87Å; G49-L52 PolarHBondContact O-N 2.83Å; G49-L53 WeakPolarHBondContact O-CB 3.48Å; G49-L53 VanDerWaalsContact O-CG 3.27Å; G49-L53 WeakPolarHBondContact O-CG 3.31Å; G49-L53 PolarHBondContact O-N 2.8Å; G49-C67 VanDerWaalsContact C-SG 3.54Å
50Q96.6Very high96.2Very high30 Ų3025.3 Ų25.314%0.1415%0.153CC..Hα-helixtrans-62.7-44.8176.8-74.3-166.280.100111.9L46 E47 L52 L53 A54 R63L46-Q50 WeakPolarHBondContact O-CB 3.23Å; L46-Q50 VanDerWaalsContact O-CG 3.28Å; L46-Q50 WeakPolarHBondContact O-CG 3.43Å; L46-Q50 PolarHBondContact O-N 2.92Å; E47-Q50 PolarHBondContact O-N 2.87Å; Q50-L52 PolarHBondContact O-N 2.93Å; Q50-L53 PolarHBondContact O-N 3.26Å; Q50-A54 WeakPolarHBondContact O-CB 3.45Å; Q50-A54 PolarHBondContact O-N 3.14Å; Q50-R63 HydrophobicContact CG-CG 4.38Å
51R96.6Very high95.7Very high83 Ų8325.6 Ų25.631%0.31316%0.156SC..Hα-helixtrans-61.2-43.8175.5-75.8172.160.2-150.2-4.1112.4V29 S30 E47 L48 A55V29-R51 HydrophobicContact CG1-CB 4.21Å; S30-R51 PolarHBondContact O-NH1 3.3Å; S30-R51 VanDerWaalsContact O-NH1 3.17Å; S30-R51 PolarHBondContact OG-NH2 3.06Å; E47-R51 WeakPolarHBondContact O-CB 3.33Å; E47-R51 VanDerWaalsContact O-CG 3.31Å; E47-R51 WeakPolarHBondContact O-CG 3.28Å; E47-R51 PolarHBondContact O-N 3.42Å; E47-R51 WeakPolarHBondContact OE1-CD 3.5Å; E47-R51 WeakPolarHBondContact OE1-CG 3.45Å; L48-R51 PolarHBondContact O-N 2.99Å; R51-A55 VanDerWaalsContact O-CB 3.25Å; R51-A55 WeakPolarHBondContact O-CB 3.44Å; R51-A55 PolarHBondContact O-N 2.96Å
52L97.5Very high95.4Very high4 Ų425.5 Ų25.52%0.02116%0.156CC..Hα-helixtrans-58.5-49.3178.1177.276.2000111.9F17 P28 V29 L48 G49 Q50 R56 L111 L114F17-L52 HydrophobicContact CZ-CD1 4.49Å; P28-L52 HydrophobicContact CB-CD1 3.73Å; P28-L52 HydrophobicContact CG-CD1 3.73Å; V29-L52 HydrophobicContact CG2-CB 3.77Å; V29-L52 HydrophobicContact CG2-CD1 3.6Å; V29-L52 HydrophobicContact CG2-CG 4.33Å; L48-L52 WeakPolarHBondContact O-CB 3.36Å; L48-L52 PolarHBondContact O-N 2.99Å; G49-L52 PolarHBondContact O-N 2.83Å; Q50-L52 PolarHBondContact O-N 2.93Å; L52-R56 PolarHBondContact O-NH1 3.17Å; L52-L111 HydrophobicContact CD2-CD2 3.74Å; L52-L114 HydrophobicContact CD2-CD2 4.47Å
53L97.6Very high95.2Very high0 Ų027.1 Ų27.10%016%0.161CC..Hα-helixtrans-76-40.9-174.5-68.8175.5000111.5F9 L13 G49 Q50 A55 R56 G57 A58 R63 L66 L114F9-L53 HydrophobicContact CE1-CD2 3.9Å; F9-L53 HydrophobicContact CZ-CD2 3.75Å; L13-L53 HydrophobicContact CD1-CD2 4.33Å; L13-L53 HydrophobicContact CD2-CD2 3.84Å; G49-L53 WeakPolarHBondContact O-CB 3.48Å; G49-L53 VanDerWaalsContact O-CG 3.27Å; G49-L53 WeakPolarHBondContact O-CG 3.31Å; G49-L53 PolarHBondContact O-N 2.8Å; Q50-L53 PolarHBondContact O-N 3.26Å; L53-A55 VanDerWaalsContact C-N 3.35Å; L53-A55 PolarHBondContact O-N 3.32Å; L53-R56 CarbonylContact O-C 3.56Å; L53-R56 PolarHBondContact O-N 3.05Å; L53-R56 VanDerWaalsContact O-N 3.08Å; L53-G57 PolarHBondContact O-N 2.89Å; L53-A58 HydrophobicContact CB-CB 3.75Å; L53-A58 VanDerWaalsContact O-CB 3.26Å; L53-A58 WeakPolarHBondContact O-CB 3.3Å; L53-A58 PolarHBondContact O-N 3.3Å; L53-R63 HydrophobicContact CB-CB 4.36Å; L53-R63 HydrophobicContact CB-CG 3.73Å; L53-R63 HydrophobicContact CD1-CB 4.32Å; L53-R63 HydrophobicContact CD1-CG 3.89Å; L53-R63 HydrophobicContact CG-CG 4.48Å; L53-L66 HydrophobicContact CD1-CB 3.99Å; L53-L66 HydrophobicContact CD1-CD1 4.07Å; L53-L66 HydrophobicContact CD2-CD1 4.17Å; L53-L114 HydrophobicContact CD1-CD1 4.13Å; L53-L114 HydrophobicContact CD2-CD2 4.38Å
54A94.2Very high95Very high45 Ų4527 Ų2737%0.37216%0.16SC..Hα-helixtrans-61-42.7175.300000111.9Q50 R56 G57Q50-A54 WeakPolarHBondContact O-CB 3.45Å; Q50-A54 PolarHBondContact O-N 3.14Å; A54-R56 PolarHBondContact O-N 2.68Å; A54-G57 PolarHBondContact O-N 2.89Å
55A95.6Very high94.8Very high82 Ų8228.1 Ų28.168%0.67817%0.166SC*.THydrogen-bonded Turntrans-63-13.2176.700000113.8R51 L53R51-A55 VanDerWaalsContact O-CB 3.25Å; R51-A55 WeakPolarHBondContact O-CB 3.44Å; R51-A55 PolarHBondContact O-N 2.96Å; L53-A55 VanDerWaalsContact C-N 3.35Å; L53-A55 PolarHBondContact O-N 3.32Å
56R95.6Very high94.7Very high74 Ų7428.1 Ų28.128%0.27917%0.166SC..THydrogen-bonded Turntrans-107.15.9176.3-70.8168.6176.865.13.5113.2F9 E16 L52 L53 A54F9-R56 HydrophobicContact CE2-CB 3.74Å; F9-R56 WeakPolarHBondContact CE2-O 3.41Å; F9-R56 HydrophobicContact CZ-CB 4.22Å; E16-R56 IonicContact OE1-CZ 3.48Å; E16-R56 IonicContact OE1-NE 3.64Å; E16-R56 PolarHBondContact OE1-NE 2.84Å; E16-R56 IonicContact OE1-NH2 3.23Å; E16-R56 PolarHBondContact OE1-NH2 3.09Å; E16-R56 IonicContact OE2-CZ 2.83Å; E16-R56 IonicContact OE2-NE 3.88Å; E16-R56 PolarHBondContact OE2-NE 2.72Å; E16-R56 IonicContact OE2-NH2 3.52Å; L52-R56 PolarHBondContact O-NH1 3.17Å; L53-R56 CarbonylContact O-C 3.56Å; L53-R56 PolarHBondContact O-N 3.05Å; L53-R56 VanDerWaalsContact O-N 3.08Å; A54-R56 PolarHBondContact O-N 2.68Å
57G93.6Very high94.7Very high37 Ų3728.1 Ų28.138%0.38117%0.166SC..THydrogen-bonded Turntrans71.833.1-179.400000114L53 A54L53-G57 PolarHBondContact O-N 2.89Å; A54-G57 PolarHBondContact O-N 2.89Å
58A93.1Very high94.7Very high9 Ų927.6 Ų27.67%0.07416%0.163CC..  trans-63.1132.4174.300000111.5F9 L53 R63F9-A58 HydrophobicContact CD1-CB 4.26Å; F9-A58 HydrophobicContact CD2-CB 4.14Å; F9-A58 HydrophobicContact CE1-CB 3.72Å; F9-A58 VanDerWaalsContact CE2-CA 3.47Å; F9-A58 HydrophobicContact CE2-CB 3.6Å; F9-A58 HydrophobicContact CG-CB 4.46Å; F9-A58 HydrophobicContact CZ-CB 3.38Å; L53-A58 HydrophobicContact CB-CB 3.75Å; L53-A58 VanDerWaalsContact O-CB 3.26Å; L53-A58 WeakPolarHBondContact O-CB 3.3Å; L53-A58 PolarHBondContact O-N 3.3Å; A58-R63 HydrophobicContact CB-CB 4.05Å
59P90.4Very high94.6Very high33 Ų3328.3 Ų28.321%0.21417%0.169CC..  trans-54.5141.4168.6-24.934000111.4E5 G61 L62 R63E5-P59 HydrophobicContact CB-CG 4.3Å; P59-G61 PolarHBondContact O-N 3.22Å; P59-L62 HydrophobicContact CB-CB 4.45Å; P59-L62 PolarHBondContact O-N 2.92Å; P59-R63 WeakPolarHBondContact O-CB 3.46Å; P59-R63 PolarHBondContact O-N 3.06Å
60S87.3Confident94.7Very high44 Ų4428.3 Ų28.331%0.30817%0.169SC..Hα-helixtrans-57.7-48.5-17165.10000112.7L62 R63 V64 E157S60-L62 PolarHBondContact O-N 3.33Å; S60-R63 WeakPolarHBondContact O-CB 3.34Å; S60-R63 PolarHBondContact O-N 2.95Å; S60-V64 WeakPolarHBondContact O-CG2 3.4Å; S60-V64 PolarHBondContact O-N 3.3Å; S60-E157 WeakPolarHBondContact CB-OE1 3.42Å; S60-E157 PolarHBondContact OG-OE1 3.14Å
61G88Confident94.7Very high6 Ų627 Ų276%0.06216%0.164CC..Hα-helixtrans-59.9-46.2179.600000112.6P59 R63 V64 L65P59-G61 PolarHBondContact O-N 3.22Å; G61-R63 PolarHBondContact O-N 2.9Å; G61-V64 PolarHBondContact O-N 3.42Å; G61-L65 VanDerWaalsContact O-CG 3.31Å; G61-L65 WeakPolarHBondContact O-CG 3.25Å; G61-L65 PolarHBondContact O-N 3.31Å; G61-L65 VanDerWaalsContact O-N 3.13Å
62L91.9Very high94.8Very high0 Ų025.3 Ų25.30%016%0.162CC..Hα-helixtrans-64.2-42.3176.6178.665.2000111.5A6 F9 L10 P59 S60 V64 L65 L66 W121 L129A6-L62 HydrophobicContact CB-CB 4.44Å; A6-L62 HydrophobicContact CB-CD2 3.91Å; F9-L62 HydrophobicContact CB-CD2 4.47Å; F9-L62 HydrophobicContact CD1-CD2 3.58Å; F9-L62 HydrophobicContact CE1-CD2 4.31Å; F9-L62 HydrophobicContact CG-CD2 4.38Å; L10-L62 HydrophobicContact CD1-CD1 4.35Å; L10-L62 HydrophobicContact CD1-CD2 4.45Å; L10-L62 HydrophobicContact CD2-CD1 4.44Å; L10-L62 HydrophobicContact CD2-CD2 4.22Å; L10-L62 HydrophobicContact CG-CD2 3.93Å; P59-L62 HydrophobicContact CB-CB 4.45Å; P59-L62 PolarHBondContact O-N 2.92Å; S60-L62 PolarHBondContact O-N 3.33Å; L62-V64 VanDerWaalsContact C-N 3.35Å; L62-V64 PolarHBondContact O-N 3.41Å; L62-L65 PolarHBondContact O-N 3.27Å; L62-L66 HydrophobicContact CD1-CD1 4.17Å; L62-L66 HydrophobicContact CD1-CG 4.11Å; L62-L66 HydrophobicContact CD2-CD1 4.42Å; L62-L66 HydrophobicContact CG-CD1 3.94Å; L62-L66 HydrophobicContact CG-CG 4.32Å; L62-L66 WeakPolarHBondContact O-CB 3.48Å; L62-L66 WeakPolarHBondContact O-CG 3.22Å; L62-L66 PolarHBondContact O-N 2.86Å; L62-W121 HydrophobicContact CD1-CE3 4.04Å; L62-W121 HydrophobicContact CD1-CZ3 4.24Å; L62-L129 HydrophobicContact CB-CD2 4.17Å; L62-L129 HydrophobicContact CD1-CD2 4.44Å
63R93.4Very high94.9Very high54 Ų5428.1 Ų28.120%0.20418%0.175CC..Hα-helixtrans-57.6-48.4179.3175.7176.874.4-162.61.7111.6Q50 L53 A58 P59 S60 G61 C67Q50-R63 HydrophobicContact CG-CG 4.38Å; L53-R63 HydrophobicContact CB-CB 4.36Å; L53-R63 HydrophobicContact CB-CG 3.73Å; L53-R63 HydrophobicContact CD1-CB 4.32Å; L53-R63 HydrophobicContact CD1-CG 3.89Å; L53-R63 HydrophobicContact CG-CG 4.48Å; A58-R63 HydrophobicContact CB-CB 4.05Å; P59-R63 WeakPolarHBondContact O-CB 3.46Å; P59-R63 PolarHBondContact O-N 3.06Å; S60-R63 WeakPolarHBondContact O-CB 3.34Å; S60-R63 PolarHBondContact O-N 2.95Å; G61-R63 PolarHBondContact O-N 2.9Å; R63-C67 PolarHBondContact O-N 2.86Å; R63-C67 VanDerWaalsContact O-N 3.11Å; R63-C67 PolarHBondContact O-SG 3.05Å
64V93.7Very high94.9Very high0 Ų028.1 Ų28.10%018%0.175CC..Hα-helixtrans-62.9-46.8-179.9166.80000110.9S60 G61 L62 C67 Q68 L155 E157 Q160 L161S60-V64 WeakPolarHBondContact O-CG2 3.4Å; S60-V64 PolarHBondContact O-N 3.3Å; G61-V64 PolarHBondContact O-N 3.42Å; L62-V64 VanDerWaalsContact C-N 3.35Å; L62-V64 PolarHBondContact O-N 3.41Å; V64-C67 PolarHBondContact O-N 2.9Å; V64-Q68 WeakPolarHBondContact O-CB 3.47Å; V64-Q68 PolarHBondContact O-N 3.4Å; V64-L155 HydrophobicContact CG2-CD1 4.44Å; V64-E157 HydrophobicContact CB-CB 4.33Å; V64-E157 HydrophobicContact CG1-CB 3.96Å; V64-E157 HydrophobicContact CG2-CB 4.19Å; V64-Q160 HydrophobicContact CG1-CB 3.9Å; V64-L161 HydrophobicContact CB-CD1 4.46Å; V64-L161 VanDerWaalsContact CG1-CA 3.46Å; V64-L161 HydrophobicContact CG1-CB 3.7Å; V64-L161 HydrophobicContact CG1-CD1 3.96Å; V64-L161 HydrophobicContact CG1-CG 4.46Å; V64-L161 HydrophobicContact CG2-CD1 4.43Å
65L94.5Very high95.1Very high29 Ų2930 Ų3015%0.15218%0.179CC..Hα-helixtrans-64.2-42.4179.7-70.6176.3000112.8G61 L62 C67 Q68 A69 W121 L129 Q160G61-L65 VanDerWaalsContact O-CG 3.31Å; G61-L65 WeakPolarHBondContact O-CG 3.25Å; G61-L65 PolarHBondContact O-N 3.31Å; G61-L65 VanDerWaalsContact O-N 3.13Å; L62-L65 PolarHBondContact O-N 3.27Å; L65-C67 PolarHBondContact O-N 3.49Å; L65-Q68 PolarHBondContact O-N 2.87Å; L65-A69 WeakPolarHBondContact O-CB 3.28Å; L65-A69 PolarHBondContact O-N 2.85Å; L65-W121 HydrophobicContact CB-CH2 3.76Å; L65-W121 HydrophobicContact CB-CZ3 3.78Å; L65-W121 WeakPolarHBondContact O-CH2 3.32Å; L65-L129 HydrophobicContact CD1-CD2 3.85Å; L65-Q160 HydrophobicContact CD2-CB 4.21Å
66L96.8Very high95.2Very high0 Ų034.1 Ų34.10%018%0.182CC..Hα-helixtrans-60-46.3175.7-79.3172.6000111.2L10 L13 L53 L62 A69 A70 V117 A118 W121L10-L66 HydrophobicContact CD2-CD1 4.25Å; L10-L66 HydrophobicContact CD2-CD2 4.45Å; L13-L66 HydrophobicContact CD2-CD1 4.44Å; L53-L66 HydrophobicContact CD1-CB 3.99Å; L53-L66 HydrophobicContact CD1-CD1 4.07Å; L53-L66 HydrophobicContact CD2-CD1 4.17Å; L62-L66 HydrophobicContact CD1-CD1 4.17Å; L62-L66 HydrophobicContact CD1-CG 4.11Å; L62-L66 HydrophobicContact CD2-CD1 4.42Å; L62-L66 HydrophobicContact CG-CD1 3.94Å; L62-L66 HydrophobicContact CG-CG 4.32Å; L62-L66 WeakPolarHBondContact O-CB 3.48Å; L62-L66 WeakPolarHBondContact O-CG 3.22Å; L62-L66 PolarHBondContact O-N 2.86Å; L66-A69 PolarHBondContact O-N 3.08Å; L66-A70 VanDerWaalsContact O-CB 3.31Å; L66-A70 WeakPolarHBondContact O-CB 3.46Å; L66-A70 PolarHBondContact O-N 2.63Å; L66-V117 HydrophobicContact CD2-CB 4.19Å; L66-V117 HydrophobicContact CD2-CG1 3.68Å; L66-A118 HydrophobicContact CD2-CB 4.16Å; L66-W121 HydrophobicContact CB-CZ3 4.45Å; L66-W121 HydrophobicContact CD2-CD2 4.34Å; L66-W121 HydrophobicContact CD2-CE3 3.5Å; L66-W121 HydrophobicContact CD2-CZ3 3.68Å; L66-W121 HydrophobicContact CG-CE3 4.02Å; L66-W121 HydrophobicContact CG-CZ3 3.83Å
67C97.9Very high95.3Very high0 Ų033.4 Ų33.40%018%0.183CC..Hα-helixtrans-64-43.5178.5-67.80000111.7L46 G49 R63 V64 L65 A70 V71 L161L46-C67 HydrophobicContact CD2-CB 3.81Å; G49-C67 VanDerWaalsContact C-SG 3.54Å; R63-C67 PolarHBondContact O-N 2.86Å; R63-C67 VanDerWaalsContact O-N 3.11Å; R63-C67 PolarHBondContact O-SG 3.05Å; V64-C67 PolarHBondContact O-N 2.9Å; L65-C67 PolarHBondContact O-N 3.49Å; C67-A70 PolarHBondContact O-N 2.95Å; C67-V71 WeakPolarHBondContact O-CB 3Å; C67-V71 PolarHBondContact O-N 3.32Å; C67-L161 HydrophobicContact CB-CD1 4.29Å
68Q97.6Very high95.5Very high47 Ų4737 Ų3722%0.2219%0.194CC..Hα-helixtrans-63.1-45.5178.3-176-87-13.100111.8V64 L65 A70 T72 Q160 L161V64-Q68 WeakPolarHBondContact O-CB 3.47Å; V64-Q68 PolarHBondContact O-N 3.4Å; L65-Q68 PolarHBondContact O-N 2.87Å; Q68-A70 VanDerWaalsContact C-N 3.33Å; Q68-A70 PolarHBondContact O-N 2.76Å; Q68-T72 PolarHBondContact NE2-OG1 2.74Å; Q68-T72 VanDerWaalsContact NE2-OG1 3.15Å; Q68-T72 VanDerWaalsContact O-CB 3.28Å; Q68-T72 WeakPolarHBondContact O-CB 3.38Å; Q68-T72 PolarHBondContact O-N 3.38Å; Q68-T72 PolarHBondContact O-OG1 3.24Å; Q68-Q160 WeakPolarHBondContact CB-O 3.42Å; Q68-Q160 VanDerWaalsContact CG-O 3.24Å; Q68-Q160 WeakPolarHBondContact CG-O 3.42Å; Q68-L161 WeakPolarHBondContact CB-O 3.38Å; Q68-L161 WeakPolarHBondContact CG-O 3.36Å
69A97.5Very high95.7Very high17 Ų1737.5 Ų37.514%0.1420%0.195CC..Hα-helixtrans-63.7-41.6179.700000111.3L65 L66 Q73 V117 W121L65-A69 WeakPolarHBondContact O-CB 3.28Å; L65-A69 PolarHBondContact O-N 2.85Å; L66-A69 PolarHBondContact O-N 3.08Å; A69-Q73 WeakPolarHBondContact O-CG 3.49Å; A69-Q73 PolarHBondContact O-N 3.04Å; A69-V117 HydrophobicContact CB-CB 4.49Å; A69-V117 HydrophobicContact CB-CG1 3.87Å; A69-V117 HydrophobicContact CB-CG2 3.8Å; A69-W121 HydrophobicContact CB-CH2 4.03Å; A69-W121 HydrophobicContact CB-CZ2 4.03Å
70A98.5Very high95.9Very high0 Ų038.8 Ų38.80%021%0.205CC..Hα-helixtrans-67.4-47178.400000112.5L66 C67 Q68 T72 Q73 L74 F110 H113 L114L66-A70 VanDerWaalsContact O-CB 3.31Å; L66-A70 WeakPolarHBondContact O-CB 3.46Å; L66-A70 PolarHBondContact O-N 2.63Å; C67-A70 PolarHBondContact O-N 2.95Å; Q68-A70 VanDerWaalsContact C-N 3.33Å; Q68-A70 PolarHBondContact O-N 2.76Å; A70-T72 VanDerWaalsContact C-N 3.27Å; A70-T72 PolarHBondContact O-N 2.9Å; A70-Q73 PolarHBondContact O-N 3.13Å; A70-Q73 VanDerWaalsContact O-N 3.13Å; A70-L74 PolarHBondContact O-N 3.25Å; A70-F110 HydrophobicContact CB-CD2 4.02Å; A70-F110 HydrophobicContact CB-CE2 3.55Å; A70-F110 HydrophobicContact CB-CZ 4.19Å; A70-H113 HydrophobicContact CB-CB 4.09Å; A70-L114 HydrophobicContact CB-CB 3.74Å; A70-L114 HydrophobicContact CB-CG 4.46Å
71V98.4Very high96.3Very high3 Ų341.2 Ų41.22%0.01822%0.22CC..Hα-helixtrans-68-32.2-179.283.10000111.2Q42 L46 C67 Q73 L74 L75 F110Q42-V71 HydrophobicContact CB-CG2 4.46Å; Q42-V71 HydrophobicContact CG-CG2 3.92Å; L46-V71 HydrophobicContact CD2-CB 4.08Å; L46-V71 HydrophobicContact CD2-CG1 3.84Å; L46-V71 HydrophobicContact CD2-CG2 4.5Å; L46-V71 HydrophobicContact CG-CG1 4.44Å; L46-V71 HydrophobicContact CG-CG2 4.47Å; C67-V71 WeakPolarHBondContact O-CB 3Å; C67-V71 PolarHBondContact O-N 3.32Å; V71-Q73 VanDerWaalsContact C-N 3.26Å; V71-Q73 PolarHBondContact O-N 2.88Å; V71-L74 HydrophobicContact CG2-CD2 4.48Å; V71-L74 PolarHBondContact O-N 2.85Å; V71-L75 HydrophobicContact CG2-CD1 4.36Å; V71-L75 HydrophobicContact CG2-CG 4.33Å; V71-L75 WeakPolarHBondContact O-CB 3.41Å; V71-L75 VanDerWaalsContact O-CG 3.24Å; V71-L75 WeakPolarHBondContact O-CG 3.39Å; V71-L75 PolarHBondContact O-N 2.89Å; V71-F110 HydrophobicContact CB-CD2 4.39Å; V71-F110 HydrophobicContact CB-CE2 3.96Å; V71-F110 HydrophobicContact CG2-CE2 4.47Å
72T98.3Very high96.7Very high47 Ų4743.3 Ų43.329%0.28823%0.227SC..Hα-helixtrans-62.9-33.2174.1-62.20000112.2Q68 A70 K76Q68-T72 PolarHBondContact NE2-OG1 2.74Å; Q68-T72 VanDerWaalsContact NE2-OG1 3.15Å; Q68-T72 VanDerWaalsContact O-CB 3.28Å; Q68-T72 WeakPolarHBondContact O-CB 3.38Å; Q68-T72 PolarHBondContact O-N 3.38Å; Q68-T72 PolarHBondContact O-OG1 3.24Å; A70-T72 VanDerWaalsContact C-N 3.27Å; A70-T72 PolarHBondContact O-N 2.9Å; T72-K76 WeakPolarHBondContact O-CD 3.4Å; T72-K76 WeakPolarHBondContact O-CG 3.16Å
73Q98.4Very high96.9Very high63 Ų6347.4 Ų47.429%0.29425%0.246SC..Hα-helixtrans-74.2-47.6173.9-67.3-178.718.700110.6A69 A70 V71 L75 K76 D77 H113 R120A69-Q73 WeakPolarHBondContact O-CG 3.49Å; A69-Q73 PolarHBondContact O-N 3.04Å; A70-Q73 PolarHBondContact O-N 3.13Å; A70-Q73 VanDerWaalsContact O-N 3.13Å; V71-Q73 VanDerWaalsContact C-N 3.26Å; V71-Q73 PolarHBondContact O-N 2.88Å; Q73-L75 VanDerWaalsContact C-N 3.3Å; Q73-L75 PolarHBondContact O-N 2.82Å; Q73-K76 WeakPolarHBondContact O-CB 3.39Å; Q73-K76 PolarHBondContact O-N 3.47Å; Q73-D77 PolarHBondContact O-N 3.48Å; Q73-H113 HydrophobicContact CB-CB 4.18Å; Q73-H113 PolarHBondContact OE1-ND1 3.48Å; Q73-R120 VanDerWaalsContact NE2-NH2 3.11Å
74L98.5Very high96.8Very high0 Ų045 Ų450%024%0.238CC..Hα-helixtrans-53.6-45.3177.4-177.872.2000112.8L41 S45 A70 V71 K76 D77 L79 V106 L109 F110L41-L74 HydrophobicContact CD1-CD2 4.02Å; L41-L74 HydrophobicContact CD2-CD2 4.21Å; L41-L74 HydrophobicContact CD2-CG 4.48Å; L41-L74 HydrophobicContact CG-CD2 4.03Å; S45-L74 WeakPolarHBondContact OG-CD2 3.36Å; A70-L74 PolarHBondContact O-N 3.25Å; V71-L74 HydrophobicContact CG2-CD2 4.48Å; V71-L74 PolarHBondContact O-N 2.85Å; L74-K76 PolarHBondContact O-N 2.89Å; L74-K76 VanDerWaalsContact O-N 3.13Å; L74-D77 WeakPolarHBondContact O-CB 3.28Å; L74-D77 PolarHBondContact O-N 3.29Å; L74-D77 VanDerWaalsContact O-N 3.12Å; L74-L79 HydrophobicContact CD1-CD2 4.32Å; L74-V106 HydrophobicContact CD1-CG2 4.01Å; L74-L109 HydrophobicContact CD1-CB 4.24Å; L74-L109 HydrophobicContact CD1-CD2 3.95Å; L74-L109 HydrophobicContact CD1-CG 3.91Å; L74-F110 HydrophobicContact CD1-CB 4.22Å; L74-F110 HydrophobicContact CD2-CB 3.87Å; L74-F110 HydrophobicContact CD2-CD2 4.16Å; L74-F110 HydrophobicContact CD2-CG 4.37Å; L74-F110 HydrophobicContact CG-CB 4.49Å
75L97.1Very high96.4Very high84 Ų8448.2 Ų48.244%0.4426%0.258SS..THydrogen-bonded Turntrans-69.1-8.1-178.2-67.5176.2000113.7L41 Q42 V71 Q73L41-L75 HydrophobicContact CD2-CD2 4.36Å; Q42-L75 HydrophobicContact CB-CD2 4.5Å; Q42-L75 HydrophobicContact CG-CD1 4.29Å; V71-L75 HydrophobicContact CG2-CD1 4.36Å; V71-L75 HydrophobicContact CG2-CG 4.33Å; V71-L75 WeakPolarHBondContact O-CB 3.41Å; V71-L75 VanDerWaalsContact O-CG 3.24Å; V71-L75 WeakPolarHBondContact O-CG 3.39Å; V71-L75 PolarHBondContact O-N 2.89Å; Q73-L75 VanDerWaalsContact C-N 3.3Å; Q73-L75 PolarHBondContact O-N 2.82Å
76K97.9Very high95.2Very high170 Ų17051.4 Ų51.474%0.73928%0.281SS*.THydrogen-bonded Turntrans-100.5-11.1174.6-67.6172.3177.4175.20113T72 Q73 L74T72-K76 WeakPolarHBondContact O-CD 3.4Å; T72-K76 WeakPolarHBondContact O-CG 3.16Å; Q73-K76 WeakPolarHBondContact O-CB 3.39Å; Q73-K76 PolarHBondContact O-N 3.47Å; L74-K76 PolarHBondContact O-N 2.89Å; L74-K76 VanDerWaalsContact O-N 3.13Å
77D98.3Very high93.6Very high59 Ų5958 Ų5832%0.31631%0.311SS..SBendtrans-72.6155.4-178.5-69.6-37.9000112.2Q73 L74 L79 L109 H113Q73-D77 PolarHBondContact O-N 3.48Å; L74-D77 WeakPolarHBondContact O-CB 3.28Å; L74-D77 PolarHBondContact O-N 3.29Å; L74-D77 VanDerWaalsContact O-N 3.12Å; D77-L79 HydrophobicContact CB-CD2 3.96Å; D77-L79 PolarHBondContact O-N 2.83Å; D77-L109 HydrophobicContact CB-CD2 4.23Å; D77-L109 WeakPolarHBondContact OD2-CD2 3.47Å; D77-H113 IonicContact OD1-NE2 3.68Å; D77-H113 IonicContact OD2-CD2 2.8Å; D77-H113 IonicContact OD2-CE1 3.79Å; D77-H113 IonicContact OD2-NE2 2.7Å; D77-H113 PolarHBondContact OD2-NE2 3.31Å
78D97.3Very high91.7Very high113 Ų11358.7 Ų58.760%0.60432%0.317SS*.  trans-75.9111.616217818.3000109.4S80 P81D78-S80 VanDerWaalsContact CG-OG 3.28Å; D78-S80 WeakPolarHBondContact OD1-CB 3.47Å; D78-S80 PolarHBondContact OD1-N 3.21Å; D78-S80 PolarHBondContact OD1-OG 3.48Å; D78-S80 PolarHBondContact OD2-OG 2.99Å; D78-P81 WeakPolarHBondContact O-CD 3.15Å
79L97.4Very high89.8Confident19 Ų1958.9 Ų58.910%0.09932%0.318CS..  trans-93.70.9-178.8-56-179.2000113.2L38 L41 L74 D77 P81 F82 H83 L101 V106 L109L38-L79 HydrophobicContact CD2-CD1 4.19Å; L41-L79 HydrophobicContact CD2-CD1 3.33Å; L74-L79 HydrophobicContact CD1-CD2 4.32Å; D77-L79 HydrophobicContact CB-CD2 3.96Å; D77-L79 PolarHBondContact O-N 2.83Å; L79-P81 VanDerWaalsContact C-N 3.28Å; L79-F82 HydrophobicContact CB-CD2 4.43Å; L79-F82 HydrophobicContact CD2-CD2 4.11Å; L79-F82 HydrophobicContact CD2-CE2 4.29Å; L79-F82 PolarHBondContact O-N 2.88Å; L79-H83 PolarHBondContact O-CD2 3.02Å; L79-H83 VanDerWaalsContact O-CD2 3.27Å; L79-L101 HydrophobicContact CB-CD1 4.2Å; L79-L101 HydrophobicContact CB-CD2 4.3Å; L79-L101 HydrophobicContact CD1-CD1 3.84Å; L79-V106 HydrophobicContact CD2-CG2 4.07Å; L79-L109 HydrophobicContact CD2-CD2 4.1Å
80S95.8Very high87.7Confident59 Ų5961.9 Ų61.941%0.41334%0.343SS..G310 helixtrans-53.5-34.4177.873.80000114.8D78 F82 H83D78-S80 VanDerWaalsContact CG-OG 3.28Å; D78-S80 WeakPolarHBondContact OD1-CB 3.47Å; D78-S80 PolarHBondContact OD1-N 3.21Å; D78-S80 PolarHBondContact OD1-OG 3.48Å; D78-S80 PolarHBondContact OD2-OG 2.99Å; S80-F82 PolarHBondContact O-N 3.35Å; S80-H83 PolarHBondContact O-N 3.36Å
81P96.1Very high85.5Confident96 Ų9670.3 Ų70.362%0.62338%0.376SS*.G310 helixtrans-66-19.3176.9-22.636.4000114.3D78 L79D78-P81 WeakPolarHBondContact O-CD 3.15Å; L79-P81 VanDerWaalsContact C-N 3.28Å
82F95.7Very high83.4Confident49 Ų4972.2 Ų72.222%0.21539%0.386CS..G310 helixtrans-98.85-177-50.5-68.7000113.2L79 S80 C84 L101 E102 A105 L109L79-F82 HydrophobicContact CB-CD2 4.43Å; L79-F82 HydrophobicContact CD2-CD2 4.11Å; L79-F82 HydrophobicContact CD2-CE2 4.29Å; L79-F82 PolarHBondContact O-N 2.88Å; S80-F82 PolarHBondContact O-N 3.35Å; F82-C84 PolarHBondContact O-N 2.96Å; F82-L101 HydrophobicContact CB-CD2 4.41Å; F82-L101 CarbonylContact O-C 3.54Å; F82-L101 VanDerWaalsContact O-CA 3.27Å; F82-L101 WeakPolarHBondContact O-CA 3.47Å; F82-E102 PolarHBondContact O-N 2.94Å; F82-A105 HydrophobicContact CD1-CB 3.58Å; F82-A105 HydrophobicContact CE1-CB 4.08Å; F82-L109 HydrophobicContact CD2-CD2 4.5Å; F82-L109 HydrophobicContact CE2-CD2 3.51Å; F82-L109 HydrophobicContact CZ-CB 4.43Å; F82-L109 HydrophobicContact CZ-CD2 3.83Å
83H95.4Very high81.2Confident87 Ų8777.7 Ų77.740%0.40341%0.408SS..BIsolated β-bridgetrans-61130.6-180-74.8-167.4000111.4L79 S80 L101L79-H83 PolarHBondContact O-CD2 3.02Å; L79-H83 VanDerWaalsContact O-CD2 3.27Å; S80-H83 PolarHBondContact O-N 3.36Å; H83-L101 WeakPolarHBondContact CD2-CD2 3.32Å
84C91.5Very high78.9Confident4 Ų482.9 Ų82.93%0.02744%0.438CS..PPolyproline II helixtrans-61.1144.9169.5-66.80000110.1F82 A88 Q89 L100 E102F82-C84 PolarHBondContact O-N 2.96Å; C84-A88 HydrophobicContact CB-CB 4.16Å; C84-Q89 PolarHBondContact O-NE2 3.48Å; C84-Q89 VanDerWaalsContact O-NE2 3.12Å; C84-L100 HydrophobicContact CB-CB 4.13Å; C84-L100 PolarHBondContact N-O 2.97Å; C84-E102 PolarHBondContact SG-OE1 3.19Å
85P84.4Confident76.8Confident67 Ų6791.4 Ų91.444%0.43548%0.478SS..PPolyproline II helixtrans-62.1153.817925.2-33.9000112.3E87 A88P85-E87 VanDerWaalsContact C-N 3.26Å; P85-E87 PolarHBondContact O-N 3.19Å; P85-A88 HydrophobicContact CG-CB 4.23Å; P85-A88 WeakPolarHBondContact O-CB 3.49Å; P85-A88 PolarHBondContact O-N 3.43Å
86P69.5Low74.9Confident95 Ų9593.7 Ų93.762%0.61749%0.486SS*.G310 helixtrans-58.5-32.1-174.3-24.534.5000114.5A88 Q89 A90P86-A88 PolarHBondContact O-N 3.35Å; P86-Q89 WeakPolarHBondContact O-CB 3.39Å; P86-Q89 PolarHBondContact O-N 3.44Å; P86-A90 PolarHBondContact O-N 2.91Å
87E64.3Low73.4Confident139 Ų13995.2 Ų95.265%0.6549%0.493SS*.G310 helixtrans-66-27.6178.3-57.678.9-168.900112P85 Q89 A90P85-E87 VanDerWaalsContact C-N 3.26Å; P85-E87 PolarHBondContact O-N 3.19Å; E87-Q89 PolarHBondContact O-N 2.9Å; E87-A90 PolarHBondContact O-N 3.43Å
88A58Low72.5Confident14 Ų1494 Ų9412%0.11649%0.488CS..G310 helixtrans-69.8-14.9173.600000113R35 C84 P85 P86R35-A88 VanDerWaalsContact CZ-CB 3.44Å; R35-A88 PolarHBondContact NH1-O 2.98Å; R35-A88 VanDerWaalsContact NH2-CB 3.32Å; C84-A88 HydrophobicContact CB-CB 4.16Å; P85-A88 HydrophobicContact CG-CB 4.23Å; P85-A88 WeakPolarHBondContact O-CB 3.49Å; P85-A88 PolarHBondContact O-N 3.43Å; P86-A88 PolarHBondContact O-N 3.35Å
89Q57.8Low72.1Confident51 Ų5191.1 Ų91.124%0.23847%0.474CS..G310 helixtrans-103.4-6.3-177.5-55.4172.76.200112.4C84 P86 E87 Y91 L92C84-Q89 PolarHBondContact O-NE2 3.48Å; C84-Q89 VanDerWaalsContact O-NE2 3.12Å; P86-Q89 WeakPolarHBondContact O-CB 3.39Å; P86-Q89 PolarHBondContact O-N 3.44Å; E87-Q89 PolarHBondContact O-N 2.9Å; Q89-Y91 VanDerWaalsContact C-N 3.25Å; Q89-Y91 PolarHBondContact O-N 3.17Å; Q89-Y91 VanDerWaalsContact O-N 3.14Å; Q89-L92 PolarHBondContact O-N 2.82Å
90A52.4Low72Confident80 Ų8090.2 Ų90.266%0.66147%0.469SS*.THydrogen-bonded Turntrans-70.5-6-171.500000116.2P86 E87 L92P86-A90 PolarHBondContact O-N 2.91Å; E87-A90 PolarHBondContact O-N 3.43Å; A90-L92 VanDerWaalsContact C-N 3.33Å
91Y53.2Low71.9Confident177 Ų17787.4 Ų87.469%0.69445%0.449SS*.THydrogen-bonded Turntrans-87.2-0.4177-64.5-78.5000113.7Q89Q89-Y91 VanDerWaalsContact C-N 3.25Å; Q89-Y91 PolarHBondContact O-N 3.17Å; Q89-Y91 VanDerWaalsContact O-N 3.14Å
92L54.9Low71.9Confident43 Ų4386.6 Ų86.623%0.22544%0.437CS..SBendtrans-98.294.4179.4-59174.8000108.7Q89 A90 D94 V98Q89-L92 PolarHBondContact O-N 2.82Å; A90-L92 VanDerWaalsContact C-N 3.33Å; L92-D94 PolarHBondContact O-N 3.35Å; L92-V98 HydrophobicContact CD1-CB 4.49Å
93E50.6Low71.9Confident162 Ų16284.2 Ų84.276%0.75743%0.427SS*.  trans-59.4130.3170.1-72.8177.2171.200111.3E95E93-E95 VanDerWaalsContact C-N 3.32Å; E93-E95 PolarHBondContact O-N 3.34Å
94D51.4Low71.9Confident172 Ų17285 Ų8592%0.9243%0.431SS*.SBendtrans27-13.3167.1-86.8-24.3000124.9L92L92-D94 PolarHBondContact O-N 3.35Å
95E53.3Low72.1Confident180 Ų18086.5 Ų86.584%0.84144%0.443SS*.SBendtrans-108.1-7.3-170.3-73-156.815600118.4E93E93-E95 VanDerWaalsContact C-N 3.32Å; E93-E95 PolarHBondContact O-N 3.34Å
96E58Low72.7Confident131 Ų13183.3 Ų83.361%0.61242%0.423SS*.  trans-169.4113.6162.7-111.2156.9-154.700110.7V98 H223E96-V98 VanDerWaalsContact C-N 3.29Å; E96-V98 HydrophobicContact CB-CG2 4.47Å; E96-V98 PolarHBondContact O-N 2.92Å; E96-H223 IonicContact OE2-NE2 3.68Å
97K66.5Low74.1Confident203 Ų20378.9 Ų78.988%0.88339%0.393SS*.  trans-70.688.3169.7-75.1-176-179.8178.10108.8V99K97-V99 PolarHBondContact O-N 3.28Å
98V79.8Confident75.7Confident34 Ų3473 Ų7321%0.20637%0.365CS..  trans-73.2122.1173.7-177.90000108.9L92 E96 L100L92-V98 HydrophobicContact CD1-CB 4.49Å; E96-V98 VanDerWaalsContact C-N 3.29Å; E96-V98 HydrophobicContact CB-CG2 4.47Å; E96-V98 PolarHBondContact O-N 2.92Å; V98-L100 HydrophobicContact CG1-CD2 4.11Å; V98-L100 PolarHBondContact O-N 3.5Å
99V88.9Confident77.6Confident51 Ų5174.1 Ų74.131%0.30937%0.369SS..  trans-68.1121.5171.1179.20000108.5L38 K97 L101L38-V99 HydrophobicContact CD1-CB 4.44Å; K97-V99 PolarHBondContact O-N 3.28Å; V99-L101 HydrophobicContact CG1-CD2 4.5Å
100L93.6Very high79.5Confident1 Ų171.7 Ų71.71%0.00536%0.358CS..EExtended strand (participates in β ladder)trans-108.9140.8176.7-62.1177.1000109.9C84 V98C84-L100 HydrophobicContact CB-CB 4.13Å; C84-L100 PolarHBondContact N-O 2.97Å; V98-L100 HydrophobicContact CG1-CD2 4.11Å; V98-L100 PolarHBondContact O-N 3.5Å
101L95.6Very high81.7Confident0 Ų068 Ų680%033%0.327CS..EExtended strand (participates in β ladder)trans-108146.1175.3-51.7178.3000110.1R35 V36 L38 L41 L79 F82 H83 V99 S103 V106R35-L101 WeakPolarHBondContact CA-O 3.46Å; V36-L101 HydrophobicContact CG1-CB 3.95Å; V36-L101 PolarHBondContact N-O 2.99Å; V36-L101 PolarHBondContact O-N 3.43Å; L38-L101 HydrophobicContact CD2-CD1 4.04Å; L41-L101 HydrophobicContact CD1-CD1 4.41Å; L41-L101 HydrophobicContact CD2-CD1 4.22Å; L79-L101 HydrophobicContact CB-CD1 4.2Å; L79-L101 HydrophobicContact CB-CD2 4.3Å; L79-L101 HydrophobicContact CD1-CD1 3.84Å; F82-L101 HydrophobicContact CB-CD2 4.41Å; F82-L101 CarbonylContact O-C 3.54Å; F82-L101 VanDerWaalsContact O-CA 3.27Å; F82-L101 WeakPolarHBondContact O-CA 3.47Å; H83-L101 WeakPolarHBondContact CD2-CD2 3.32Å; V99-L101 HydrophobicContact CG1-CD2 4.5Å; L101-S103 PolarHBondContact O-N 2.88Å; L101-S103 VanDerWaalsContact O-N 3.15Å; L101-V106 HydrophobicContact CB-CG1 4.29Å; L101-V106 HydrophobicContact CD1-CB 4.45Å; L101-V106 HydrophobicContact CD1-CG1 4.48Å; L101-V106 HydrophobicContact CD1-CG2 4.06Å
102E95.6Very high83.9Confident78 Ų7861.3 Ų61.336%0.36430%0.303SS..EExtended strand (participates in β ladder)trans-64.8110.2168-69.5-61.7143.600108.8F82 C84 E104 A105 V106F82-E102 PolarHBondContact O-N 2.94Å; C84-E102 PolarHBondContact SG-OE1 3.19Å; E102-E104 VanDerWaalsContact C-N 3.35Å; E102-E104 PolarHBondContact O-N 3.36Å; E102-A105 HydrophobicContact CB-CB 4.35Å; E102-A105 PolarHBondContact O-N 3.37Å; E102-V106 PolarHBondContact O-N 3.05Å
103S95.4Very high86Confident0 Ų060.7 Ų60.70%030%0.299CS..Hα-helixtrans-63-41.9-166.7-177.80000111.9S31 S33 R34 L101 A105 Q107S31-S103 WeakPolarHBondContact CB-OG 3.48Å; S33-S103 WeakPolarHBondContact O-CB 3.4Å; S33-S103 PolarHBondContact O-OG 2.96Å; S33-S103 VanDerWaalsContact O-OG 3.13Å; R34-S103 VanDerWaalsContact C-CB 3.45Å; R34-S103 VanDerWaalsContact O-CB 3.24Å; R34-S103 WeakPolarHBondContact O-CB 3.32Å; R34-S103 PolarHBondContact O-N 3.4Å; L101-S103 PolarHBondContact O-N 2.88Å; L101-S103 VanDerWaalsContact O-N 3.15Å; S103-A105 VanDerWaalsContact C-N 3.3Å; S103-A105 PolarHBondContact O-N 2.92Å; S103-Q107 WeakPolarHBondContact O-CB 3.46Å; S103-Q107 WeakPolarHBondContact O-CG 3.37Å; S103-Q107 PolarHBondContact O-N 2.97Å
104E95.8Very high88.2Confident104 Ų10453 Ų5349%0.48626%0.263SS..Hα-helixtrans-62.4-41-176.9-167.6177154.400111.7L27 E102 R108L27-E104 HydrophobicContact CD1-CG 3.78Å; L27-E104 HydrophobicContact CD2-CG 4.49Å; L27-E104 HydrophobicContact CG-CG 3.82Å; E102-E104 VanDerWaalsContact C-N 3.35Å; E102-E104 PolarHBondContact O-N 3.36Å; E104-R108 WeakPolarHBondContact O-CB 3.43Å; E104-R108 PolarHBondContact O-N 3.24Å; E104-R108 IonicContact OE1-NH2 3.26Å; E104-R108 PolarHBondContact OE1-NH2 3.24Å
105A95.8Very high90.5Very high35 Ų3545.2 Ų45.229%0.28922%0.221SC..Hα-helixtrans-70.3-46.2-177.700000112.2F82 E102 S103 Q107 R108 L109F82-A105 HydrophobicContact CD1-CB 3.58Å; F82-A105 HydrophobicContact CE1-CB 4.08Å; E102-A105 HydrophobicContact CB-CB 4.35Å; E102-A105 PolarHBondContact O-N 3.37Å; S103-A105 VanDerWaalsContact C-N 3.3Å; S103-A105 PolarHBondContact O-N 2.92Å; A105-Q107 VanDerWaalsContact C-N 3.34Å; A105-Q107 PolarHBondContact O-N 2.75Å; A105-R108 WeakPolarHBondContact O-CB 3.2Å; A105-R108 PolarHBondContact O-N 2.73Å; A105-L109 PolarHBondContact O-N 3.03Å; A105-L109 VanDerWaalsContact O-N 3.13Å
106V97.2Very high92.6Very high0 Ų037.5 Ų37.50%019%0.19CC..Hα-helixtrans-69.9-33.9178.672.20000112V36 L41 L74 L79 L101 E102 R108 L109 F110V36-V106 HydrophobicContact CG1-CG1 3.69Å; L41-V106 HydrophobicContact CD1-CB 4.42Å; L41-V106 HydrophobicContact CD1-CG1 3.86Å; L41-V106 HydrophobicContact CD1-CG2 3.64Å; L41-V106 HydrophobicContact CD2-CG2 4.48Å; L74-V106 HydrophobicContact CD1-CG2 4.01Å; L79-V106 HydrophobicContact CD2-CG2 4.07Å; L101-V106 HydrophobicContact CB-CG1 4.29Å; L101-V106 HydrophobicContact CD1-CB 4.45Å; L101-V106 HydrophobicContact CD1-CG1 4.48Å; L101-V106 HydrophobicContact CD1-CG2 4.06Å; E102-V106 PolarHBondContact O-N 3.05Å; V106-R108 VanDerWaalsContact C-N 3.35Å; V106-L109 WeakPolarHBondContact O-CB 3.23Å; V106-L109 PolarHBondContact O-N 3.46Å; V106-F110 PolarHBondContact O-N 2.89Å
107Q97.9Very high94.5Very high1 Ų131.2 Ų31.21%0.00516%0.161CC..Hα-helixtrans-70.5-31.7174.8-68.7-51.1-18.300112.3L27 S45 L48 S103 A105 L109 F110 L111L27-Q107 HydrophobicContact CD1-CB 4.06Å; S45-Q107 VanDerWaalsContact CA-OE1 3.25Å; S45-Q107 VanDerWaalsContact OG-CD 3.29Å; S45-Q107 PolarHBondContact OG-NE2 2.93Å; S45-Q107 VanDerWaalsContact OG-NE2 3.08Å; S45-Q107 PolarHBondContact OG-OE1 2.94Å; L48-Q107 HydrophobicContact CD2-CB 3.65Å; L48-Q107 HydrophobicContact CD2-CG 4.03Å; S103-Q107 WeakPolarHBondContact O-CB 3.46Å; S103-Q107 WeakPolarHBondContact O-CG 3.37Å; S103-Q107 PolarHBondContact O-N 2.97Å; A105-Q107 VanDerWaalsContact C-N 3.34Å; A105-Q107 PolarHBondContact O-N 2.75Å; Q107-L109 VanDerWaalsContact C-N 3.35Å; Q107-F110 WeakPolarHBondContact O-CB 3.28Å; Q107-F110 PolarHBondContact O-N 3.26Å; Q107-L111 WeakPolarHBondContact O-CG 3.49Å; Q107-L111 PolarHBondContact O-N 3.26Å
108R97.8Very high96Very high16 Ų1621.7 Ų21.76%0.0612%0.12CC..Hα-helixtrans-60.3-45168.5-172.4-179.4-55.3-66.3-16.7111.7L21 K22 E23 A25 L27 E104 A105 V106 F110 L111 N112L21-R108 HydrophobicContact CB-CG 4.02Å; L21-R108 HydrophobicContact CD1-CG 4.38Å; K22-R108 WeakPolarHBondContact O-CD 3.34Å; K22-R108 PolarHBondContact O-NH1 3.29Å; E23-R108 VanDerWaalsContact O-CZ 3.27Å; E23-R108 PolarHBondContact O-NE 3.33Å; A25-R108 PolarHBondContact O-NH1 2.88Å; A25-R108 PolarHBondContact O-NH2 3.45Å; L27-R108 HydrophobicContact CD2-CB 3.85Å; L27-R108 HydrophobicContact CD2-CG 4.36Å; E104-R108 WeakPolarHBondContact O-CB 3.43Å; E104-R108 PolarHBondContact O-N 3.24Å; E104-R108 IonicContact OE1-NH2 3.26Å; E104-R108 PolarHBondContact OE1-NH2 3.24Å; A105-R108 WeakPolarHBondContact O-CB 3.2Å; A105-R108 PolarHBondContact O-N 2.73Å; V106-R108 VanDerWaalsContact C-N 3.35Å; R108-F110 VanDerWaalsContact C-N 3.34Å; R108-F110 PolarHBondContact O-N 2.99Å; R108-L111 PolarHBondContact O-N 2.82Å; R108-N112 WeakPolarHBondContact O-CB 3.42Å; R108-N112 VanDerWaalsContact O-CG 3.25Å; R108-N112 PolarHBondContact O-N 2.67Å
109L98.1Very high96.8Very high37 Ų3722.7 Ų22.719%0.19412%0.124CC..Hα-helixtrans-59.5-46176.8178.559.1000111.1L74 D77 L79 F82 A105 V106 Q107 L111 N112 H113L74-L109 HydrophobicContact CD1-CB 4.24Å; L74-L109 HydrophobicContact CD1-CD2 3.95Å; L74-L109 HydrophobicContact CD1-CG 3.91Å; D77-L109 HydrophobicContact CB-CD2 4.23Å; D77-L109 WeakPolarHBondContact OD2-CD2 3.47Å; L79-L109 HydrophobicContact CD2-CD2 4.1Å; F82-L109 HydrophobicContact CD2-CD2 4.5Å; F82-L109 HydrophobicContact CE2-CD2 3.51Å; F82-L109 HydrophobicContact CZ-CB 4.43Å; F82-L109 HydrophobicContact CZ-CD2 3.83Å; A105-L109 PolarHBondContact O-N 3.03Å; A105-L109 VanDerWaalsContact O-N 3.13Å; V106-L109 WeakPolarHBondContact O-CB 3.23Å; V106-L109 PolarHBondContact O-N 3.46Å; Q107-L109 VanDerWaalsContact C-N 3.35Å; L109-L111 PolarHBondContact O-N 2.78Å; L109-N112 WeakPolarHBondContact O-CB 3.27Å; L109-N112 PolarHBondContact O-N 3.07Å; L109-H113 PolarHBondContact O-CD2 3.13Å; L109-H113 VanDerWaalsContact O-CD2 3.3Å; L109-H113 PolarHBondContact O-N 3.37Å
110F98.6Very high97.1Very high0 Ų025.9 Ų25.90%013%0.13CC..Hα-helixtrans-56.3-48.3173.1168.6-104.2000112.7S45 L48 A70 V71 L74 V106 Q107 R108 N112 H113 L114S45-F110 WeakPolarHBondContact O-CE1 3.49Å; S45-F110 WeakPolarHBondContact O-CZ 3.35Å; L48-F110 HydrophobicContact CD2-CD1 4.28Å; A70-F110 HydrophobicContact CB-CD2 4.02Å; A70-F110 HydrophobicContact CB-CE2 3.55Å; A70-F110 HydrophobicContact CB-CZ 4.19Å; V71-F110 HydrophobicContact CB-CD2 4.39Å; V71-F110 HydrophobicContact CB-CE2 3.96Å; V71-F110 HydrophobicContact CG2-CE2 4.47Å; L74-F110 HydrophobicContact CD1-CB 4.22Å; L74-F110 HydrophobicContact CD2-CB 3.87Å; L74-F110 HydrophobicContact CD2-CD2 4.16Å; L74-F110 HydrophobicContact CD2-CG 4.37Å; L74-F110 HydrophobicContact CG-CB 4.49Å; V106-F110 PolarHBondContact O-N 2.89Å; Q107-F110 WeakPolarHBondContact O-CB 3.28Å; Q107-F110 PolarHBondContact O-N 3.26Å; R108-F110 VanDerWaalsContact C-N 3.34Å; R108-F110 PolarHBondContact O-N 2.99Å; F110-N112 VanDerWaalsContact C-N 3.28Å; F110-N112 PolarHBondContact O-N 2.89Å; F110-H113 WeakPolarHBondContact O-CB 3.35Å; F110-H113 PolarHBondContact O-N 2.85Å; F110-H113 VanDerWaalsContact O-N 3.14Å; F110-L114 HydrophobicContact CE1-CD1 4.21Å; F110-L114 HydrophobicContact CZ-CD1 4.18Å; F110-L114 PolarHBondContact O-N 3.39Å
111L98.4Very high97.2Very high2 Ų228 Ų281%0.0114%0.138CC..Hα-helixtrans-64.4-33.9178.6-70.3-176.2000112.3L21 L27 P28 L48 L52 Q107 R108 L109 H113 L114 I115L21-L111 HydrophobicContact CD1-CB 3.89Å; L21-L111 HydrophobicContact CD1-CD1 3.91Å; L27-L111 HydrophobicContact CD2-CD1 4.18Å; P28-L111 HydrophobicContact CG-CD1 3.68Å; L48-L111 HydrophobicContact CD2-CD1 4.1Å; L48-L111 HydrophobicContact CD2-CD2 4.08Å; L48-L111 HydrophobicContact CD2-CG 3.96Å; L52-L111 HydrophobicContact CD2-CD2 3.74Å; Q107-L111 WeakPolarHBondContact O-CG 3.49Å; Q107-L111 PolarHBondContact O-N 3.26Å; R108-L111 PolarHBondContact O-N 2.82Å; L109-L111 PolarHBondContact O-N 2.78Å; L111-H113 VanDerWaalsContact C-N 3.34Å; L111-L114 HydrophobicContact CD2-CD1 4.45Å; L111-L114 WeakPolarHBondContact O-CB 3.12Å; L111-L114 PolarHBondContact O-N 2.96Å; L111-I115 WeakPolarHBondContact O-CB 3.3Å; L111-I115 WeakPolarHBondContact O-CD1 3.27Å; L111-I115 VanDerWaalsContact O-CG1 3.23Å; L111-I115 WeakPolarHBondContact O-CG1 3.48Å; L111-I115 PolarHBondContact O-N 2.94Å
112N98.4Very high97.2Very high38 Ų3829.9 Ų29.920%0.20315%0.148CC..Hα-helixtrans-64.4-39.1173.5-72.9-15.6000111.8A20 L21 R108 L109 F110 G116A20-N112 WeakPolarHBondContact CA-OD1 3.24Å; A20-N112 HydrophobicContact CB-CB 4.3Å; L21-N112 WeakPolarHBondContact CB-OD1 3.38Å; L21-N112 PolarHBondContact N-OD1 2.8Å; R108-N112 WeakPolarHBondContact O-CB 3.42Å; R108-N112 VanDerWaalsContact O-CG 3.25Å; R108-N112 PolarHBondContact O-N 2.67Å; L109-N112 WeakPolarHBondContact O-CB 3.27Å; L109-N112 PolarHBondContact O-N 3.07Å; F110-N112 VanDerWaalsContact C-N 3.28Å; F110-N112 PolarHBondContact O-N 2.89Å; N112-G116 PolarHBondContact O-N 2.7Å
113H98.7Very high97Very high29 Ų2934.5 Ų34.513%0.13417%0.17CC..Hα-helixtrans-63-44.6170.8-69.9-50.9000111.8A70 Q73 D77 L109 F110 L111 I115 G116 V117A70-H113 HydrophobicContact CB-CB 4.09Å; Q73-H113 HydrophobicContact CB-CB 4.18Å; Q73-H113 PolarHBondContact OE1-ND1 3.48Å; D77-H113 IonicContact OD1-NE2 3.68Å; D77-H113 IonicContact OD2-CD2 2.8Å; D77-H113 IonicContact OD2-CE1 3.79Å; D77-H113 IonicContact OD2-NE2 2.7Å; D77-H113 PolarHBondContact OD2-NE2 3.31Å; L109-H113 PolarHBondContact O-CD2 3.13Å; L109-H113 VanDerWaalsContact O-CD2 3.3Å; L109-H113 PolarHBondContact O-N 3.37Å; F110-H113 WeakPolarHBondContact O-CB 3.35Å; F110-H113 PolarHBondContact O-N 2.85Å; F110-H113 VanDerWaalsContact O-N 3.14Å; L111-H113 VanDerWaalsContact C-N 3.34Å; H113-I115 PolarHBondContact O-N 2.96Å; H113-G116 PolarHBondContact O-N 3.47Å; H113-V117 VanDerWaalsContact O-CG2 3.27Å; H113-V117 WeakPolarHBondContact O-CG2 3.37Å; H113-V117 PolarHBondContact O-N 2.76Å
114L98.5Very high96.7Very high2 Ų242.1 Ų42.11%0.0121%0.206CC..Hα-helixtrans-58.9-48.5177.1-173.3157.9000111.7L13 L52 L53 A70 F110 L111 G116 V117 A118L13-L114 HydrophobicContact CD2-CD2 4.45Å; L52-L114 HydrophobicContact CD2-CD2 4.47Å; L53-L114 HydrophobicContact CD1-CD1 4.13Å; L53-L114 HydrophobicContact CD2-CD2 4.38Å; A70-L114 HydrophobicContact CB-CB 3.74Å; A70-L114 HydrophobicContact CB-CG 4.46Å; F110-L114 HydrophobicContact CE1-CD1 4.21Å; F110-L114 HydrophobicContact CZ-CD1 4.18Å; F110-L114 PolarHBondContact O-N 3.39Å; L111-L114 HydrophobicContact CD2-CD1 4.45Å; L111-L114 WeakPolarHBondContact O-CB 3.12Å; L111-L114 PolarHBondContact O-N 2.96Å; L114-G116 VanDerWaalsContact C-N 3.32Å; L114-G116 PolarHBondContact O-N 2.83Å; L114-V117 PolarHBondContact O-N 2.82Å; L114-A118 PolarHBondContact O-N 2.81Å
115I98.3Very high96.2Very high7 Ų739 Ų394%0.03619%0.192CC..Hα-helixtrans-60-44.2175.5-68.2162.5000110.2F17 L21 L111 H113 V117 A118 L119F17-I115 HydrophobicContact CB-CD1 3.91Å; F17-I115 HydrophobicContact CB-CG1 3.82Å; F17-I115 HydrophobicContact CB-CG2 4.1Å; F17-I115 HydrophobicContact CD1-CD1 4.04Å; F17-I115 HydrophobicContact CG-CD1 4.11Å; F17-I115 HydrophobicContact CG-CG1 4.21Å; F17-I115 WeakPolarHBondContact O-CG2 3.17Å; L21-I115 HydrophobicContact CD1-CD1 4.49Å; L21-I115 HydrophobicContact CD2-CD1 4.07Å; L21-I115 HydrophobicContact CG-CD1 3.86Å; L111-I115 WeakPolarHBondContact O-CB 3.3Å; L111-I115 WeakPolarHBondContact O-CD1 3.27Å; L111-I115 VanDerWaalsContact O-CG1 3.23Å; L111-I115 WeakPolarHBondContact O-CG1 3.48Å; L111-I115 PolarHBondContact O-N 2.94Å; H113-I115 PolarHBondContact O-N 2.96Å; I115-V117 VanDerWaalsContact C-N 3.35Å; I115-V117 PolarHBondContact O-N 3.11Å; I115-A118 PolarHBondContact O-N 3.08Å; I115-L119 HydrophobicContact CG2-CD1 3.9Å; I115-L119 HydrophobicContact CG2-CG 4.36Å; I115-L119 WeakPolarHBondContact O-CB 3.34Å; I115-L119 WeakPolarHBondContact O-CG 3.22Å; I115-L119 PolarHBondContact O-N 3.09Å
116G98.1Very high95.6Very high18 Ų1838.9 Ų38.919%0.18619%0.188CC..Hα-helixtrans-60.8-40.2176.600000113.2N112 H113 L114 R120N112-G116 PolarHBondContact O-N 2.7Å; H113-G116 PolarHBondContact O-N 3.47Å; L114-G116 VanDerWaalsContact C-N 3.32Å; L114-G116 PolarHBondContact O-N 2.83Å; G116-R120 WeakPolarHBondContact O-CG 3.43Å; G116-R120 PolarHBondContact O-N 2.88Å; G116-R120 PolarHBondContact O-NH1 3.33Å
117V97.6Very high94.2Very high0 Ų044.6 Ų44.60%023%0.228CC..Hα-helixtrans-64.3-48.3172.8178.90000110.2L66 A69 H113 L114 I115 L119 R120 W121L66-V117 HydrophobicContact CD2-CB 4.19Å; L66-V117 HydrophobicContact CD2-CG1 3.68Å; A69-V117 HydrophobicContact CB-CB 4.49Å; A69-V117 HydrophobicContact CB-CG1 3.87Å; A69-V117 HydrophobicContact CB-CG2 3.8Å; H113-V117 VanDerWaalsContact O-CG2 3.27Å; H113-V117 WeakPolarHBondContact O-CG2 3.37Å; H113-V117 PolarHBondContact O-N 2.76Å; L114-V117 PolarHBondContact O-N 2.82Å; I115-V117 VanDerWaalsContact C-N 3.35Å; I115-V117 PolarHBondContact O-N 3.11Å; V117-L119 VanDerWaalsContact C-N 3.34Å; V117-L119 PolarHBondContact O-N 3.38Å; V117-R120 PolarHBondContact O-N 2.86Å; V117-R120 VanDerWaalsContact O-N 3.16Å; V117-W121 HydrophobicContact CG1-CD2 3.54Å; V117-W121 VanDerWaalsContact CG1-CE2 3.4Å; V117-W121 HydrophobicContact CG1-CE3 3.86Å; V117-W121 HydrophobicContact CG1-CG 4.13Å; V117-W121 HydrophobicContact CG1-CH2 3.86Å; V117-W121 HydrophobicContact CG1-CZ2 3.58Å; V117-W121 HydrophobicContact CG1-CZ3 4.01Å; V117-W121 PolarHBondContact O-N 3.38Å
118A97.4Very high92.9Very high2 Ų248.7 Ų48.72%0.01726%0.257CS..Hα-helixtrans-59.8-41.9179.900000112.6L10 L13 V14 L66 L114 I115 R120 W121 N122L10-A118 HydrophobicContact CD2-CB 4.05Å; L13-A118 HydrophobicContact CD2-CB 3.81Å; V14-A118 HydrophobicContact CG2-CB 4.43Å; L66-A118 HydrophobicContact CD2-CB 4.16Å; L114-A118 PolarHBondContact O-N 2.81Å; I115-A118 PolarHBondContact O-N 3.08Å; A118-R120 VanDerWaalsContact C-N 3.35Å; A118-R120 PolarHBondContact O-N 3.15Å; A118-W121 PolarHBondContact O-N 2.85Å; A118-N122 WeakPolarHBondContact O-CB 3.11Å; A118-N122 PolarHBondContact O-N 3.46Å
119L97.4Very high91.6Very high55 Ų5548.9 Ų48.929%0.28826%0.259SS..Hα-helixtrans-59.1-43.3175.1-77.4165.9000112.3V14 I115 V117V14-L119 HydrophobicContact CB-CD2 4.29Å; V14-L119 HydrophobicContact CG1-CD2 3.48Å; V14-L119 VanDerWaalsContact CG1-CD2 3.48Å; V14-L119 HydrophobicContact CG2-CD2 3.94Å; V14-L119 HydrophobicContact CG2-CG 4.26Å; I115-L119 HydrophobicContact CG2-CD1 3.9Å; I115-L119 HydrophobicContact CG2-CG 4.36Å; I115-L119 WeakPolarHBondContact O-CB 3.34Å; I115-L119 WeakPolarHBondContact O-CG 3.22Å; I115-L119 PolarHBondContact O-N 3.09Å; V117-L119 VanDerWaalsContact C-N 3.34Å; V117-L119 PolarHBondContact O-N 3.38Å
120R96.3Very high90.1Very high118 Ų11848 Ų4845%0.44526%0.255SS..Hα-helixtrans-67.3-47.6176.3-70.1-172-58.7-88.60.9111.3Q73 G116 V117 A118 N122 Q123 E124Q73-R120 VanDerWaalsContact NE2-NH2 3.11Å; G116-R120 WeakPolarHBondContact O-CG 3.43Å; G116-R120 PolarHBondContact O-N 2.88Å; G116-R120 PolarHBondContact O-NH1 3.33Å; V117-R120 PolarHBondContact O-N 2.86Å; V117-R120 VanDerWaalsContact O-N 3.16Å; A118-R120 VanDerWaalsContact C-N 3.35Å; A118-R120 PolarHBondContact O-N 3.15Å; R120-N122 VanDerWaalsContact C-N 3.27Å; R120-N122 PolarHBondContact O-N 2.9Å; R120-Q123 WeakPolarHBondContact O-CB 3.43Å; R120-Q123 PolarHBondContact O-N 2.85Å; R120-E124 PolarHBondContact O-N 3.36Å; R120-E124 VanDerWaalsContact O-N 3.1Å
121W95.5Very high88.5Confident45 Ų4552.6 Ų52.617%0.1729%0.286CS..Hα-helixtrans-70.7-22.4-176.8-68-3.8000113.7L10 L62 L65 L66 A69 V117 A118 Q123 E124 L125 P126L10-W121 HydrophobicContact CD1-CB 3.97Å; L62-W121 HydrophobicContact CD1-CE3 4.04Å; L62-W121 HydrophobicContact CD1-CZ3 4.24Å; L65-W121 HydrophobicContact CB-CH2 3.76Å; L65-W121 HydrophobicContact CB-CZ3 3.78Å; L65-W121 WeakPolarHBondContact O-CH2 3.32Å; L66-W121 HydrophobicContact CB-CZ3 4.45Å; L66-W121 HydrophobicContact CD2-CD2 4.34Å; L66-W121 HydrophobicContact CD2-CE3 3.5Å; L66-W121 HydrophobicContact CD2-CZ3 3.68Å; L66-W121 HydrophobicContact CG-CE3 4.02Å; L66-W121 HydrophobicContact CG-CZ3 3.83Å; A69-W121 HydrophobicContact CB-CH2 4.03Å; A69-W121 HydrophobicContact CB-CZ2 4.03Å; V117-W121 HydrophobicContact CG1-CD2 3.54Å; V117-W121 VanDerWaalsContact CG1-CE2 3.4Å; V117-W121 HydrophobicContact CG1-CE3 3.86Å; V117-W121 HydrophobicContact CG1-CG 4.13Å; V117-W121 HydrophobicContact CG1-CH2 3.86Å; V117-W121 HydrophobicContact CG1-CZ2 3.58Å; V117-W121 HydrophobicContact CG1-CZ3 4.01Å; V117-W121 PolarHBondContact O-N 3.38Å; A118-W121 PolarHBondContact O-N 2.85Å; W121-Q123 PolarHBondContact O-N 3Å; W121-E124 WeakPolarHBondContact CA-O 3.38Å; W121-E124 CarbonylContact O-C 3.58Å; W121-E124 PolarHBondContact O-N 3.21Å; W121-L125 PolarHBondContact O-N 3.5Å; W121-P126 HydrophobicContact CD2-CG 4.06Å; W121-P126 HydrophobicContact CE3-CG 4.1Å; W121-P126 HydrophobicContact CH2-CG 4.47Å; W121-P126 HydrophobicContact CZ2-CG 4.39Å; W121-P126 HydrophobicContact CZ3-CG 4.3Å
122N94Very high86.8Confident41 Ų4156.1 Ų56.122%0.21931%0.309CS..THydrogen-bonded Turntrans-65.8-24.2170-17451000112.5Q7 L10 K11 V14 A118 R120Q7-N122 PolarHBondContact NE2-O 3.27Å; Q7-N122 PolarHBondContact NE2-OD1 2.89Å; Q7-N122 VanDerWaalsContact NE2-OD1 3.09Å; L10-N122 HydrophobicContact CB-CB 4.25Å; K11-N122 VanDerWaalsContact CG-OD1 3.25Å; K11-N122 WeakPolarHBondContact CG-OD1 3.38Å; K11-N122 PolarHBondContact N-OD1 2.8Å; V14-N122 HydrophobicContact CG2-CB 3.97Å; A118-N122 WeakPolarHBondContact O-CB 3.11Å; A118-N122 PolarHBondContact O-N 3.46Å; R120-N122 VanDerWaalsContact C-N 3.27Å; R120-N122 PolarHBondContact O-N 2.9Å
123Q91.8Very high85.7Confident175 Ų17556.9 Ų56.982%0.81832%0.317SS*.THydrogen-bonded Turntrans-88.7-40.5174.2-60.2179.63.200111.9R120 W121R120-Q123 WeakPolarHBondContact O-CB 3.43Å; R120-Q123 PolarHBondContact O-N 2.85Å; W121-Q123 PolarHBondContact O-N 3Å
124E89.4Confident85.2Confident160 Ų16058 Ų5875%0.74832%0.321SS*.SBendtrans-142102-177.9-173.7176.1-163.600110.1R120 W121R120-E124 PolarHBondContact O-N 3.36Å; R120-E124 VanDerWaalsContact O-N 3.1Å; W121-E124 WeakPolarHBondContact CA-O 3.38Å; W121-E124 CarbonylContact O-C 3.58Å; W121-E124 PolarHBondContact O-N 3.21Å
125L85.4Confident84.8Confident37 Ų3760.6 Ų60.619%0.19433%0.333CS..  trans-67.1140.7179.7-162.278.8000110.2E3 A6 L10 W121E3-L125 HydrophobicContact CB-CD2 4.04Å; E3-L125 HydrophobicContact CG-CD2 4.02Å; A6-L125 HydrophobicContact CB-CD1 4.3Å; L10-L125 HydrophobicContact CD1-CD1 3.52Å; W121-L125 PolarHBondContact O-N 3.5Å
126P82.6Confident84.6Confident34 Ų3461.7 Ų61.722%0.22134%0.341CS..  trans-58.7148.4169.722.8-33.2000112W121 S128W121-P126 HydrophobicContact CD2-CG 4.06Å; W121-P126 HydrophobicContact CE3-CG 4.1Å; W121-P126 HydrophobicContact CH2-CG 4.47Å; W121-P126 HydrophobicContact CZ2-CG 4.39Å; W121-P126 HydrophobicContact CZ3-CG 4.3Å; P126-S128 VanDerWaalsContact C-N 3.25Å; P126-S128 PolarHBondContact O-N 3.29Å; P126-S128 VanDerWaalsContact O-N 3.09Å
127S67.9Low84.5Confident120 Ų12061 Ų6184%0.83933%0.333SS*.SBendtrans-68.5-10.7-163.3-30.30000116.3
128S70.9Confident84.5Confident87 Ų8763.4 Ų63.461%0.60835%0.348SS*.  trans-163129.1173.363.60000111.2P126P126-S128 VanDerWaalsContact C-N 3.25Å; P126-S128 PolarHBondContact O-N 3.29Å; P126-S128 VanDerWaalsContact O-N 3.09Å
129L70.3Confident84.5Confident20 Ų2066 Ų6611%0.10536%0.36CS..PPolyproline II helixtrans-79.7140.5164.6-63.7169.6000109E2 A6 L62 L65E2-L129 HydrophobicContact CB-CD1 4.15Å; A6-L129 HydrophobicContact CB-CD1 3.67Å; L62-L129 HydrophobicContact CB-CD2 4.17Å; L62-L129 HydrophobicContact CD1-CD2 4.44Å; L65-L129 HydrophobicContact CD1-CD2 3.85Å
130P67.8Low84.5Confident17 Ų1765 Ų6511%0.1136%0.359CS..PPolyproline II helixtrans-68.2131.1175.428.7-34.7000109.4E157 Q160P130-E157 HydrophobicContact CB-CG 4.35Å; P130-E157 HydrophobicContact CG-CG 3.98Å; P130-Q160 HydrophobicContact CB-CG 3.94Å; P130-Q160 HydrophobicContact CG-CB 4.5Å; P130-Q160 HydrophobicContact CG-CG 3.98Å
131P63.8Low84.6Confident98 Ų9861 Ų6164%0.63635%0.346SS*.PPolyproline II helixtrans-69.9147.5172.229.5-33.5000110S133P131-S133 PolarHBondContact O-N 3.5Å
132P63.5Low84.7Confident76 Ų7663.6 Ų63.649%0.49436%0.359SS..PPolyproline II helixtrans-63.2132.8171.525.2-31.6000110.2
133S73.8Confident84.9Confident53 Ų5363.3 Ų63.337%0.37136%0.358SS..  trans-86.4-33.9-17445.30000113.4P131 T156P131-S133 PolarHBondContact O-N 3.5Å; S133-T156 PolarHBondContact OG-O 2.85Å
134F88.1Confident85.1Confident52 Ų5259.6 Ų59.623%0.22835%0.347CS..SBendtrans-141.3139.2-179.8-58.5-81.4000111.1T156 A171 Y173 I241 V405 L407F134-T156 WeakPolarHBondContact O-CG2 3.27Å; F134-A171 HydrophobicContact CD2-CB 3.73Å; F134-A171 HydrophobicContact CE2-CB 3.96Å; F134-Y173 WeakPolarHBondContact CB-OH 3.16Å; F134-I241 HydrophobicContact CD2-CD1 4.11Å; F134-I241 HydrophobicContact CE1-CD1 4.4Å; F134-I241 HydrophobicContact CE2-CB 4.14Å; F134-I241 HydrophobicContact CE2-CD1 3.99Å; F134-I241 HydrophobicContact CE2-CG2 3.81Å; F134-I241 HydrophobicContact CG-CD1 4.37Å; F134-I241 HydrophobicContact CZ-CB 4.37Å; F134-I241 HydrophobicContact CZ-CD1 4.15Å; F134-I241 HydrophobicContact CZ-CG2 3.59Å; F134-V405 HydrophobicContact CB-CG1 3.89Å; F134-V405 HydrophobicContact CG-CG1 4.39Å; F134-L407 HydrophobicContact CD1-CD2 4.05Å; F134-L407 HydrophobicContact CE1-CD2 3.89Å
135Q90.9Very high85.4Confident57 Ų5757.2 Ų57.227%0.26633%0.331SS..EExtended strand (participates in β ladder)trans-75132.4170.9-174.2179.4-15.900109.4V379 H381 F406 P410Q135-V379 PolarHBondContact NE2-O 3.38Å; Q135-H381 PolarHBondContact NE2-ND1 2.97Å; Q135-F406 HydrophobicContact CB-CB 4.4Å; Q135-F406 HydrophobicContact CB-CD2 4.36Å; Q135-F406 HydrophobicContact CG-CD2 4.29Å; Q135-F406 PolarHBondContact O-N 2.95Å; Q135-P410 VanDerWaalsContact OE1-CG 3.27Å
136C93.6Very high85.9Confident30 Ų3066.9 Ų66.920%0.20337%0.365CS..EExtended strand (participates in β ladder)trans-127.2129.4-179.1179.90000110.2Y173 V404C136-Y173 HydrophobicContact CB-CE1 4.1Å; C136-V404 CarbonylContact C-O 3.52Å; C136-V404 WeakPolarHBondContact CA-O 3.37Å
137S96.3Very high86.6Confident3 Ų371.8 Ų71.82%0.02138%0.383CS..EExtended strand (participates in β ladder)trans-106.1126.4167.2-178.90000108.3G380 H381 V383 A384 M403 V404S137-G380 VanDerWaalsContact CB-O 3.28Å; S137-G380 WeakPolarHBondContact CB-O 3.48Å; S137-G380 PolarHBondContact OG-O 3.49Å; S137-H381 WeakPolarHBondContact CB-O 3.49Å; S137-H381 PolarHBondContact OG-O 3.49Å; S137-V383 PolarHBondContact OG-N 3.13Å; S137-A384 VanDerWaalsContact OG-CB 3.32Å; S137-A384 WeakPolarHBondContact OG-CB 3.36Å; S137-A384 PolarHBondContact OG-N 2.9Å; S137-M403 CarbonylContact O-C 3.5Å; S137-M403 WeakPolarHBondContact O-CA 3.45Å; S137-V404 PolarHBondContact N-O 3.14Å; S137-V404 PolarHBondContact O-N 3.37Å
138V96.9Very high88.1Confident51 Ų5168.6 Ų68.631%0.30936%0.355SS..EExtended strand (participates in β ladder)trans-134.8136.5177.2630000110V402 M403V138-V402 WeakPolarHBondContact CA-O 3.33Å; V138-M403 HydrophobicContact CB-CB 4.41Å; V138-M403 HydrophobicContact CB-CE 4.26Å; V138-M403 HydrophobicContact CB-CG 4.27Å; V138-M403 HydrophobicContact CG2-CB 4.11Å; V138-M403 HydrophobicContact CG2-CE 3.82Å; V138-M403 HydrophobicContact CG2-CG 4.37Å
139H98.1Very high89.4Confident58 Ų5866 Ų6627%0.26933%0.333SS..EExtended strand (participates in β ladder)trans-142.6135173.7-160.971.7000109.9I141 A384 E385 V388 T401 V402H139-I141 WeakPolarHBondContact NE2-CG2 3.48Å; H139-A384 HydrophobicContact CB-CB 3.89Å; H139-E385 HydrophobicContact CB-CB 4.19Å; H139-V388 HydrophobicContact CB-CG2 4.14Å; H139-T401 WeakPolarHBondContact O-CA 3.24Å; H139-V402 PolarHBondContact N-O 3.07Å; H139-V402 PolarHBondContact O-N 3.46Å
140A98.1Very high90.7Very high33 Ų3365.2 Ų65.227%0.27333%0.329SS..EExtended strand (participates in β ladder)trans-139.7126.6-174.500000109.6M148 I400 T401A140-M148 HydrophobicContact CB-CE 3.62Å; A140-I400 CarbonylContact C-O 3.52Å; A140-I400 VanDerWaalsContact CA-O 3.28Å; A140-I400 WeakPolarHBondContact CA-O 3.18Å; A140-T401 HydrophobicContact CB-CG2 4.02Å
141I98.3Very high92.2Very high34 Ų3467.4 Ų67.417%0.17434%0.337CS..EExtended strand (participates in β ladder)trans-133.4148-179.665.5166.4000111.9H139 N143 M148 V388 K392 N399 I400H139-I141 WeakPolarHBondContact NE2-CG2 3.48Å; I141-N143 HydrophobicContact CD1-CB 3.85Å; I141-N143 HydrophobicContact CG1-CB 4.1Å; I141-N143 PolarHBondContact O-N 3.44Å; I141-M148 VanDerWaalsContact O-SD 3.36Å; I141-V388 HydrophobicContact CD1-CG1 3.39Å; I141-V388 HydrophobicContact CG1-CG1 3.6Å; I141-V388 HydrophobicContact CG2-CG1 4.26Å; I141-K392 HydrophobicContact CD1-CD 3.52Å; I141-K392 HydrophobicContact CD1-CG 4.07Å; I141-N399 WeakPolarHBondContact O-CA 3.41Å; I141-I400 HydrophobicContact CD1-CD1 4.44Å; I141-I400 HydrophobicContact CG1-CB 4.09Å; I141-I400 HydrophobicContact CG1-CG1 4.47Å; I141-I400 PolarHBondContact N-O 2.93Å; I141-I400 PolarHBondContact O-N 2.66Å
142K97.7Very high93.9Very high99 Ų9966.3 Ų66.343%0.4332%0.323SS..  trans-63.9-30.9170.1-167.7-168.168.4170.30112.7T144 R145 K147 M148 N399K142-T144 PolarHBondContact O-N 3.48Å; K142-R145 WeakPolarHBondContact CD-O 3.37Å; K142-R145 WeakPolarHBondContact CE-O 3.4Å; K142-R145 WeakPolarHBondContact CG-O 3.17Å; K142-R145 PolarHBondContact O-N 2.83Å; K142-K147 WeakPolarHBondContact CG-O 3.44Å; K142-M148 HydrophobicContact CB-CB 4.16Å; K142-M148 HydrophobicContact CB-SD 4.39Å; K142-M148 HydrophobicContact CG-CB 4.23Å; K142-M148 PolarHBondContact N-SD 3.1Å; K142-N399 WeakPolarHBondContact CA-ND2 3.42Å; K142-N399 PolarHBondContact O-ND2 3.27Å
143N96.9Very high95.5Very high36 Ų3663.8 Ų63.819%0.19331%0.307CS..THydrogen-bonded Turntrans50.7-126.7-171.4-167.726.2000111.6I141 K392 S396 D398 I400I141-N143 HydrophobicContact CD1-CB 3.85Å; I141-N143 HydrophobicContact CG1-CB 4.1Å; I141-N143 PolarHBondContact O-N 3.44Å; N143-K392 WeakPolarHBondContact OD1-CE 3.4Å; N143-S396 PolarHBondContact ND2-O 3.17Å; N143-D398 WeakPolarHBondContact CB-O 3.47Å; N143-D398 PolarHBondContact ND2-O 2.91Å; N143-D398 VanDerWaalsContact ND2-O 3.07Å; N143-I400 HydrophobicContact CB-CG1 4.39Å
144T96.1Very high96.6Very high96 Ų9663.4 Ų63.459%0.58931%0.306SS*.THydrogen-bonded Turntrans-86.8-8.2-176.350.30000114.4K142 S397K142-T144 PolarHBondContact O-N 3.48Å; T144-S397 WeakPolarHBondContact OG1-CA 3.22Å; T144-S397 WeakPolarHBondContact OG1-CB 3.22Å; T144-S397 PolarHBondContact OG1-O 3.3Å
145R97Very high96.9Very high110 Ų11061.1 Ų61.142%0.41530%0.297SS..SBendtrans-70.2161178.3-65.1-66.8-178.394-11.8111.6K142 S397 D398 N399K142-R145 WeakPolarHBondContact CD-O 3.37Å; K142-R145 WeakPolarHBondContact CE-O 3.4Å; K142-R145 WeakPolarHBondContact CG-O 3.17Å; K142-R145 PolarHBondContact O-N 2.83Å; R145-S397 PolarHBondContact NE-O 3.44Å; R145-D398 WeakPolarHBondContact CG-OD1 3.45Å; R145-D398 IonicContact CZ-OD1 3.99Å; R145-D398 IonicContact CZ-OD2 2.73Å; R145-D398 IonicContact NE-OD1 3.63Å; R145-D398 PolarHBondContact NE-OD1 3.32Å; R145-D398 IonicContact NE-OD2 3.23Å; R145-D398 IonicContact NH1-OD1 3.58Å; R145-D398 PolarHBondContact NH1-OD1 2.83Å; R145-D398 IonicContact NH1-OD2 2.73Å; R145-D398 PolarHBondContact NH1-OD2 3.39Å; R145-D398 IonicContact NH2-OD1 2.95Å; R145-D398 PolarHBondContact NH2-OD1 3.33Å; R145-D398 IonicContact NH2-OD2 3.2Å; R145-D398 PolarHBondContact NH2-OD2 3.48Å; R145-N399 WeakPolarHBondContact CB-ND2 3.48Å
146R96Very high97Very high240 Ų24059.4 Ų59.491%0.90629%0.29SS*.SBendtrans-74.6-33.9179.4-67-177.1-179.2-178.40.9112.5
147K97.4Very high96.9Very high138 Ų13858.2 Ų58.260%0.628%0.281SS*.SBendtrans-127.9156.2-178.5-64.6-176179.6-1800109.7K142 E149 N399K142-K147 WeakPolarHBondContact CG-O 3.44Å; K147-E149 HydrophobicContact CB-CG 3.95Å; K147-N399 PolarHBondContact O-ND2 3.22Å; K147-N399 PolarHBondContact O-OD1 3Å
148M98Very high96.9Very high52 Ų5258 Ų5826%0.25628%0.28SS..  trans-98.8100.1169.9-178.661.9176.700107.2A140 I141 K142 D150 N399A140-M148 HydrophobicContact CB-CE 3.62Å; I141-M148 VanDerWaalsContact O-SD 3.36Å; K142-M148 HydrophobicContact CB-CB 4.16Å; K142-M148 HydrophobicContact CB-SD 4.39Å; K142-M148 HydrophobicContact CG-CB 4.23Å; K142-M148 PolarHBondContact N-SD 3.1Å; M148-D150 HydrophobicContact CE-CB 3.68Å; M148-D150 HydrophobicContact SD-CB 4.42Å; M148-N399 WeakPolarHBondContact CA-OD1 3.34Å; M148-N399 HydrophobicContact SD-CB 4Å
149E98.4Very high96.8Very high33 Ų3355.8 Ų55.815%0.15427%0.266CS..  trans-97.2-16-176.5-54.8-163.3141.400111.7K147 G178 G181 V182 A185 N399K147-E149 HydrophobicContact CB-CG 3.95Å; E149-G178 WeakPolarHBondContact CB-O 3.3Å; E149-G181 WeakPolarHBondContact OE1-CA 3.27Å; E149-G181 PolarHBondContact OE1-N 2.85Å; E149-V182 HydrophobicContact CB-CB 4.37Å; E149-V182 HydrophobicContact CG-CB 4.4Å; E149-A185 VanDerWaalsContact O-CB 3.26Å; E149-A185 WeakPolarHBondContact O-CB 3.24Å; E149-N399 PolarHBondContact N-OD1 2.96Å
150D98.8Very high96.6Very high3 Ų355 Ų552%0.01626%0.263CS..  trans-68.2150.2171.5-53.95.9000113.3M148 F176 C338 N399 T401M148-D150 HydrophobicContact CE-CB 3.68Å; M148-D150 HydrophobicContact SD-CB 4.42Å; D150-F176 CarbonylContact C-O 3.54Å; D150-F176 WeakPolarHBondContact CA-O 3.39Å; D150-C338 PolarHBondContact OD2-SG 2.96Å; D150-N399 VanDerWaalsContact OD1-CB 3.27Å; D150-N399 WeakPolarHBondContact OD1-CB 3.41Å; D150-T401 WeakPolarHBondContact CB-OG1 3.22Å; D150-T401 WeakPolarHBondContact OD2-CB 3.41Å; D150-T401 PolarHBondContact OD2-OG1 2.79Å
151K98.7Very high96.5Very high64 Ų6453.4 Ų53.428%0.27825%0.25SC..EExtended strand (participates in β ladder)trans-135160.1166.4-60.8-65.4160.1-137.30110.6F176 V182 A185 I186 A189K151-F176 HydrophobicContact CB-CB 4.41Å; K151-F176 HydrophobicContact CB-CD2 4.47Å; K151-F176 PolarHBondContact N-O 2.92Å; K151-F176 PolarHBondContact O-N 3.38Å; K151-V182 VanDerWaalsContact CE-CG2 3.49Å; K151-A185 HydrophobicContact CB-CB 4.31Å; K151-A185 HydrophobicContact CG-CB 3.89Å; K151-I186 HydrophobicContact CD-CG1 4.07Å; K151-I186 VanDerWaalsContact CE-CG1 3.48Å; K151-I186 HydrophobicContact CG-CG1 4.12Å; K151-A189 HydrophobicContact CB-CB 3.83Å; K151-A189 HydrophobicContact CG-CB 4.45Å
152H98.6Very high96.4Very high75 Ų7553.1 Ų53.135%0.34725%0.247SC..EExtended strand (participates in β ladder)trans-145.4161.1173.562.7-95.9000110.4A174 V175 T401 M403H152-A174 CarbonylContact C-O 3.48Å; H152-A174 WeakPolarHBondContact CA-O 3.31Å; H152-A174 WeakPolarHBondContact CB-O 3.42Å; H152-V175 HydrophobicContact CB-CG2 4.39Å; H152-T401 HydrophobicContact CB-CG2 4.11Å; H152-M403 HydrophobicContact CB-CE 3.88Å
153V98.3Very high96.3Very high23 Ų2350 Ų5014%0.13924%0.243CC..EExtended strand (participates in β ladder)trans-136.5128.1175.41800000108L155 Y172 Y173 A174 F176 A189 M403V153-L155 HydrophobicContact CG1-CB 4.26Å; V153-Y172 HydrophobicContact CB-CD1 4.41Å; V153-Y172 HydrophobicContact CB-CE1 4.01Å; V153-Y172 HydrophobicContact CG1-CD1 3.92Å; V153-Y172 HydrophobicContact CG1-CE1 3.91Å; V153-Y173 CarbonylContact O-C 3.45Å; V153-Y173 VanDerWaalsContact O-CA 3.27Å; V153-Y173 WeakPolarHBondContact O-CA 3.17Å; V153-A174 PolarHBondContact N-O 3.49Å; V153-A174 PolarHBondContact O-N 3.35Å; V153-F176 HydrophobicContact CG2-CE2 4.12Å; V153-A189 HydrophobicContact CG2-CB 3.84Å; V153-A189 WeakPolarHBondContact CG2-O 3.39Å; V153-M403 WeakPolarHBondContact O-CE 3.35Å
154A96.2Very high96.2Very high44 Ų4449.9 Ų49.936%0.36424%0.242SC..EExtended strand (participates in β ladder)trans-122.8113.6168.300000108.1Y173 M403A154-Y173 HydrophobicContact CB-CD1 3.91Å; A154-Y173 HydrophobicContact CB-CE1 4.07Å; A154-M403 HydrophobicContact CB-CE 4.07Å; A154-M403 HydrophobicContact CB-SD 4.5Å
155L94.9Very high96Very high5 Ų554.3 Ų54.33%0.02626%0.256CS..EExtended strand (participates in β ladder)trans-134.388.4-172.9177.758.3000109.6V64 V153 F158 L161 F162 A171 Y172V64-L155 HydrophobicContact CG2-CD1 4.44Å; V153-L155 HydrophobicContact CG1-CB 4.26Å; L155-F158 HydrophobicContact CD2-CB 4.34Å; L155-F158 HydrophobicContact CD2-CD2 3.78Å; L155-F158 HydrophobicContact CD2-CG 4.43Å; L155-F158 HydrophobicContact CG-CB 4.22Å; L155-F158 HydrophobicContact CG-CD2 4.44Å; L155-L161 HydrophobicContact CD1-CB 4.27Å; L155-L161 HydrophobicContact CD1-CD2 3.84Å; L155-L161 HydrophobicContact CD2-CD2 3.55Å; L155-L161 HydrophobicContact CG-CD2 4.37Å; L155-F162 HydrophobicContact CD2-CE2 4.13Å; L155-A171 CarbonylContact O-C 3.56Å; L155-A171 WeakPolarHBondContact O-CA 3.33Å; L155-Y172 PolarHBondContact N-O 2.88Å; L155-Y172 PolarHBondContact O-N 3.38Å
156T92.5Very high95.8Very high21 Ų2151.7 Ų51.713%0.12925%0.25CS..THydrogen-bonded Turntrans-69.4-34.5177.730.10000112.8S133 F134 F158 Y173S133-T156 PolarHBondContact OG-O 2.85Å; F134-T156 WeakPolarHBondContact O-CG2 3.27Å; T156-F158 PolarHBondContact O-N 3.36Å; T156-Y173 WeakPolarHBondContact CG2-OH 3.46Å
157E92.3Very high95.5Very high4 Ų443.8 Ų43.82%0.01924%0.244CC..THydrogen-bonded Turntrans-100.947.4-177.9-51.284.2173.500111.5S60 V64 P130 N159 Q160 L161S60-E157 WeakPolarHBondContact CB-OE1 3.42Å; S60-E157 PolarHBondContact OG-OE1 3.14Å; V64-E157 HydrophobicContact CB-CB 4.33Å; V64-E157 HydrophobicContact CG1-CB 3.96Å; V64-E157 HydrophobicContact CG2-CB 4.19Å; P130-E157 HydrophobicContact CB-CG 4.35Å; P130-E157 HydrophobicContact CG-CG 3.98Å; E157-N159 VanDerWaalsContact C-N 3.33Å; E157-N159 PolarHBondContact O-N 2.96Å; E157-Q160 VanDerWaalsContact CA-OE1 3.29Å; E157-Q160 HydrophobicContact CB-CB 4.18Å; E157-Q160 PolarHBondContact O-N 3.22Å; E157-Q160 PolarHBondContact O-OE1 3.06Å; E157-L161 PolarHBondContact O-N 3.11Å
158F95.4Very high95.2Very high0 Ų038.9 Ų38.90%023%0.225CC..Hα-helixtrans-55.8-47.5-175.1-178.6-86.6000111.8L155 T156 Q160 L161 F162 I164 R170 Y172 H193 L196 L202 L240L155-F158 HydrophobicContact CD2-CB 4.34Å; L155-F158 HydrophobicContact CD2-CD2 3.78Å; L155-F158 HydrophobicContact CD2-CG 4.43Å; L155-F158 HydrophobicContact CG-CB 4.22Å; L155-F158 HydrophobicContact CG-CD2 4.44Å; T156-F158 PolarHBondContact O-N 3.36Å; F158-Q160 VanDerWaalsContact C-N 3.33Å; F158-Q160 PolarHBondContact O-N 3.4Å; F158-L161 PolarHBondContact O-N 3.39Å; F158-F162 HydrophobicContact CD1-CD2 4.05Å; F158-F162 HydrophobicContact CD2-CD2 4.1Å; F158-F162 AromaticContact CD2-CE2 3.8Å; F158-F162 HydrophobicContact CD2-CE2 3.8Å; F158-F162 AromaticContact CE1-CD2 3.88Å; F158-F162 HydrophobicContact CE1-CD2 3.88Å; F158-F162 HydrophobicContact CE1-CE2 4.31Å; F158-F162 AromaticContact CE2-CD2 3.96Å; F158-F162 HydrophobicContact CE2-CD2 3.96Å; F158-F162 AromaticContact CE2-CE2 3.55Å; F158-F162 HydrophobicContact CE2-CE2 3.55Å; F158-F162 HydrophobicContact CG-CD2 4.16Å; F158-F162 HydrophobicContact CG-CE2 4.3Å; F158-F162 AromaticContact CZ-CD2 3.85Å; F158-F162 HydrophobicContact CZ-CD2 3.85Å; F158-F162 AromaticContact CZ-CE2 3.83Å; F158-F162 HydrophobicContact CZ-CE2 3.83Å; F158-F162 WeakPolarHBondContact O-CD2 3.24Å; F158-F162 PolarHBondContact O-N 2.9Å; F158-I164 HydrophobicContact CD1-CD1 4.33Å; F158-I164 HydrophobicContact CE1-CD1 3.9Å; F158-R170 HydrophobicContact CB-CB 4.07Å; F158-R170 WeakPolarHBondContact CB-O 3.43Å; F158-R170 HydrophobicContact CD1-CB 3.94Å; F158-R170 HydrophobicContact CG-CB 4.27Å; F158-R170 PolarHBondContact N-O 3.5Å; F158-Y172 VanDerWaalsContact CD2-CB 3.48Å; F158-Y172 HydrophobicContact CD2-CG 4.21Å; F158-Y172 HydrophobicContact CE2-CD2 4.35Å; F158-Y172 HydrophobicContact CE2-CG 4.31Å; F158-H193 HydrophobicContact CE2-CB 4.19Å; F158-L196 HydrophobicContact CE2-CD2 4.37Å; F158-L196 HydrophobicContact CZ-CD2 4.27Å; F158-L196 HydrophobicContact CZ-CG 4.34Å; F158-L202 HydrophobicContact CE1-CD2 4.18Å; F158-L240 HydrophobicContact CD2-CD1 4.34Å; F158-L240 HydrophobicContact CE2-CD1 4.37Å; F158-L240 HydrophobicContact CG-CD1 4.45Å
159N94.8Very high94.9Very high3 Ų341.5 Ų41.52%0.01624%0.237CC..Hα-helixtrans-60.7-44.9179.8-78.816.9000111.6E157 L161 F162 G163 I164 V168 R170E157-N159 VanDerWaalsContact C-N 3.33Å; E157-N159 PolarHBondContact O-N 2.96Å; N159-L161 VanDerWaalsContact C-N 3.35Å; N159-L161 PolarHBondContact O-N 3.49Å; N159-F162 CarbonylContact O-C 3.52Å; N159-F162 PolarHBondContact O-N 3.34Å; N159-G163 WeakPolarHBondContact O-CA 3.22Å; N159-G163 PolarHBondContact O-N 3.32Å; N159-I164 HydrophobicContact CB-CB 4.24Å; N159-I164 PolarHBondContact O-N 3.36Å; N159-V168 PolarHBondContact ND2-O 3.5Å; N159-R170 WeakPolarHBondContact OD1-CB 3.48Å; N159-R170 WeakPolarHBondContact OD1-CD 3.22Å; N159-R170 WeakPolarHBondContact OD1-CG 3.49Å; N159-R170 PolarHBondContact OD1-NH1 2.89Å
160Q94.2Very high94.7Very high41 Ų4140 Ų4019%0.19223%0.23CC..Hα-helixtrans-69.4-33.5-176.3-64.475.413.600111.4V64 L65 Q68 P130 E157 F158 F162V64-Q160 HydrophobicContact CG1-CB 3.9Å; L65-Q160 HydrophobicContact CD2-CB 4.21Å; Q68-Q160 WeakPolarHBondContact CB-O 3.42Å; Q68-Q160 VanDerWaalsContact CG-O 3.24Å; Q68-Q160 WeakPolarHBondContact CG-O 3.42Å; P130-Q160 HydrophobicContact CB-CG 3.94Å; P130-Q160 HydrophobicContact CG-CB 4.5Å; P130-Q160 HydrophobicContact CG-CG 3.98Å; E157-Q160 VanDerWaalsContact CA-OE1 3.29Å; E157-Q160 HydrophobicContact CB-CB 4.18Å; E157-Q160 PolarHBondContact O-N 3.22Å; E157-Q160 PolarHBondContact O-OE1 3.06Å; F158-Q160 VanDerWaalsContact C-N 3.33Å; F158-Q160 PolarHBondContact O-N 3.4Å; Q160-F162 VanDerWaalsContact C-N 3.26Å; Q160-F162 PolarHBondContact O-N 2.92Å
161L95.7Very high94.6Very high0 Ų039.9 Ų39.90%023%0.229CC..Hα-helixtrans-64.4-33.7174.5-169.266.4000112.2L46 V64 C67 Q68 L155 E157 F158 N159L46-L161 HydrophobicContact CD1-CD1 4.43Å; L46-L161 HydrophobicContact CD1-CD2 4.29Å; L46-L161 HydrophobicContact CD1-CG 4.13Å; L46-L161 HydrophobicContact CD2-CD1 3.85Å; L46-L161 HydrophobicContact CD2-CG 4.4Å; V64-L161 HydrophobicContact CB-CD1 4.46Å; V64-L161 VanDerWaalsContact CG1-CA 3.46Å; V64-L161 HydrophobicContact CG1-CB 3.7Å; V64-L161 HydrophobicContact CG1-CD1 3.96Å; V64-L161 HydrophobicContact CG1-CG 4.46Å; V64-L161 HydrophobicContact CG2-CD1 4.43Å; C67-L161 HydrophobicContact CB-CD1 4.29Å; Q68-L161 WeakPolarHBondContact CB-O 3.38Å; Q68-L161 WeakPolarHBondContact CG-O 3.36Å; L155-L161 HydrophobicContact CD1-CB 4.27Å; L155-L161 HydrophobicContact CD1-CD2 3.84Å; L155-L161 HydrophobicContact CD2-CD2 3.55Å; L155-L161 HydrophobicContact CG-CD2 4.37Å; E157-L161 PolarHBondContact O-N 3.11Å; F158-L161 PolarHBondContact O-N 3.39Å; N159-L161 VanDerWaalsContact C-N 3.35Å; N159-L161 PolarHBondContact O-N 3.49Å
162F96.7Very high94.6Very high28 Ų2836.8 Ų36.812%0.12322%0.216CC..Hα-helixtrans-104.41-176-62.9-59000114.6L46 L155 F158 N159 Q160 I164 H193 V194 S197L46-F162 HydrophobicContact CD1-CD1 4.46Å; L46-F162 HydrophobicContact CD1-CE1 3.83Å; L155-F162 HydrophobicContact CD2-CE2 4.13Å; F158-F162 HydrophobicContact CD1-CD2 4.05Å; F158-F162 HydrophobicContact CD2-CD2 4.1Å; F158-F162 AromaticContact CD2-CE2 3.8Å; F158-F162 HydrophobicContact CD2-CE2 3.8Å; F158-F162 AromaticContact CE1-CD2 3.88Å; F158-F162 HydrophobicContact CE1-CD2 3.88Å; F158-F162 HydrophobicContact CE1-CE2 4.31Å; F158-F162 AromaticContact CE2-CD2 3.96Å; F158-F162 HydrophobicContact CE2-CD2 3.96Å; F158-F162 AromaticContact CE2-CE2 3.55Å; F158-F162 HydrophobicContact CE2-CE2 3.55Å; F158-F162 HydrophobicContact CG-CD2 4.16Å; F158-F162 HydrophobicContact CG-CE2 4.3Å; F158-F162 AromaticContact CZ-CD2 3.85Å; F158-F162 HydrophobicContact CZ-CD2 3.85Å; F158-F162 AromaticContact CZ-CE2 3.83Å; F158-F162 HydrophobicContact CZ-CE2 3.83Å; F158-F162 WeakPolarHBondContact O-CD2 3.24Å; F158-F162 PolarHBondContact O-N 2.9Å; N159-F162 CarbonylContact O-C 3.52Å; N159-F162 PolarHBondContact O-N 3.34Å; Q160-F162 VanDerWaalsContact C-N 3.26Å; Q160-F162 PolarHBondContact O-N 2.92Å; F162-I164 VanDerWaalsContact C-N 3.28Å; F162-I164 HydrophobicContact CB-CD1 3.98Å; F162-I164 HydrophobicContact CB-CG1 3.99Å; F162-I164 PolarHBondContact O-N 3.13Å; F162-H193 AromaticContact CE2-CD2 3.98Å; F162-H193 AromaticContact CZ-CD2 3.48Å; F162-H193 VanDerWaalsContact CZ-CD2 3.48Å; F162-H193 WeakPolarHBondContact CZ-CD2 3.42Å; F162-H193 WeakPolarHBondContact CZ-O 3.29Å; F162-V194 HydrophobicContact CE1-CB 4.14Å; F162-V194 HydrophobicContact CE1-CG1 4.18Å; F162-V194 HydrophobicContact CE1-CG2 3.92Å; F162-V194 HydrophobicContact CZ-CB 4.3Å; F162-V194 HydrophobicContact CZ-CG2 3.96Å; F162-S197 VanDerWaalsContact CD1-OG 3.22Å; F162-S197 WeakPolarHBondContact CD1-OG 3.4Å; F162-S197 WeakPolarHBondContact CE1-OG 3.45Å; F162-S197 WeakPolarHBondContact CG-OG 3.34Å
163G94.7Very high94.6Very high33 Ų3333.2 Ų33.234%0.3420%0.199SC..THydrogen-bonded Turntrans64.728.2-178.200000114N159N159-G163 WeakPolarHBondContact O-CA 3.22Å; N159-G163 PolarHBondContact O-N 3.32Å
164I94.7Very high94.6Very high35 Ų3532.1 Ų32.118%0.17919%0.193CC..  trans-80126.6179.5-60.7170.9000109.1F158 N159 F162 D166 L202F158-I164 HydrophobicContact CD1-CD1 4.33Å; F158-I164 HydrophobicContact CE1-CD1 3.9Å; N159-I164 HydrophobicContact CB-CB 4.24Å; N159-I164 PolarHBondContact O-N 3.36Å; F162-I164 VanDerWaalsContact C-N 3.28Å; F162-I164 HydrophobicContact CB-CD1 3.98Å; F162-I164 HydrophobicContact CB-CG1 3.99Å; F162-I164 PolarHBondContact O-N 3.13Å; I164-D166 HydrophobicContact CG2-CB 4.4Å; I164-L202 HydrophobicContact CD1-CD2 3.98Å
165Q92.4Very high94.8Very high188 Ų18830 Ų3088%0.87918%0.175SC*.  trans-130.849.1-175.9-61-176.67.600111.7
166D92.8Very high95Very high55 Ų5529.8 Ų29.829%0.29417%0.174SC..SBendtrans-96.96.8-178.966.9-2.7000113.9I164 V168 R170I164-D166 HydrophobicContact CG2-CB 4.4Å; D166-V168 VanDerWaalsContact C-N 3.27Å; D166-V168 PolarHBondContact O-N 3.45Å; D166-V168 PolarHBondContact OD1-N 3.48Å; D166-R170 VanDerWaalsContact CG-NH1 3.33Å; D166-R170 IonicContact OD1-CZ 3.27Å; D166-R170 IonicContact OD1-NH1 2.66Å; D166-R170 PolarHBondContact OD1-NH1 3.09Å; D166-R170 IonicContact OD1-NH2 2.61Å; D166-R170 IonicContact OD2-CZ 3.87Å; D166-R170 VanDerWaalsContact OD2-CZ 3.29Å; D166-R170 IonicContact OD2-NH1 3.63Å; D166-R170 PolarHBondContact OD2-NH1 3.45Å; D166-R170 IonicContact OD2-NH2 3.13Å; D166-R170 PolarHBondContact OD2-NH2 2.94Å
167G90.1Very high95.3Very high74 Ų7429.4 Ų29.476%0.76317%0.171SC*.SBendtrans76.17.3178.100000115
168V91.4Very high95.5Very high35 Ų3529.4 Ų29.421%0.21217%0.172CC..  trans-110.2108.3176-179.40000109.1N159 D166 R170 H242N159-V168 PolarHBondContact ND2-O 3.5Å; D166-V168 VanDerWaalsContact C-N 3.27Å; D166-V168 PolarHBondContact O-N 3.45Å; D166-V168 PolarHBondContact OD1-N 3.48Å; V168-R170 PolarHBondContact O-NH1 3.15Å; V168-H242 HydrophobicContact CG1-CB 4.23Å
169E91.4Very high95.6Very high107 Ų10731.5 Ų31.550%0.518%0.182SC..  trans-64.8140.8175.5-68.9-54.6125.200111.5H242 G243E169-H242 WeakPolarHBondContact O-CA 3.25Å; E169-G243 PolarHBondContact O-N 3.2Å; E169-G243 VanDerWaalsContact O-N 3.17Å
170R94.8Very high95.7Very high2 Ų234.8 Ų34.81%0.00822%0.216CC..EExtended strand (participates in β ladder)trans-136.1140-178-59.3-179.1177.780.5-1.5111.8F158 N159 D166 V168 L240 I241 H242F158-R170 HydrophobicContact CB-CB 4.07Å; F158-R170 WeakPolarHBondContact CB-O 3.43Å; F158-R170 HydrophobicContact CD1-CB 3.94Å; F158-R170 HydrophobicContact CG-CB 4.27Å; F158-R170 PolarHBondContact N-O 3.5Å; N159-R170 WeakPolarHBondContact OD1-CB 3.48Å; N159-R170 WeakPolarHBondContact OD1-CD 3.22Å; N159-R170 WeakPolarHBondContact OD1-CG 3.49Å; N159-R170 PolarHBondContact OD1-NH1 2.89Å; D166-R170 VanDerWaalsContact CG-NH1 3.33Å; D166-R170 IonicContact OD1-CZ 3.27Å; D166-R170 IonicContact OD1-NH1 2.66Å; D166-R170 PolarHBondContact OD1-NH1 3.09Å; D166-R170 IonicContact OD1-NH2 2.61Å; D166-R170 IonicContact OD2-CZ 3.87Å; D166-R170 VanDerWaalsContact OD2-CZ 3.29Å; D166-R170 IonicContact OD2-NH1 3.63Å; D166-R170 PolarHBondContact OD2-NH1 3.45Å; D166-R170 IonicContact OD2-NH2 3.13Å; D166-R170 PolarHBondContact OD2-NH2 2.94Å; V168-R170 PolarHBondContact O-NH1 3.15Å; R170-L240 HydrophobicContact CB-CD1 4.22Å; R170-I241 CarbonylContact C-O 3.57Å; R170-I241 VanDerWaalsContact CA-O 3.23Å; R170-I241 WeakPolarHBondContact CA-O 3.34Å; R170-H242 HydrophobicContact CG-CB 3.77Å
171A96.4Very high95.8Very high0 Ų033.2 Ų33.20%021%0.212CC..EExtended strand (participates in β ladder)trans-129.3136.7168.200000109.8F134 L155 Y173 L240 I241F134-A171 HydrophobicContact CD2-CB 3.73Å; F134-A171 HydrophobicContact CE2-CB 3.96Å; L155-A171 CarbonylContact O-C 3.56Å; L155-A171 WeakPolarHBondContact O-CA 3.33Å; A171-Y173 HydrophobicContact CB-CE2 3.61Å; A171-L240 WeakPolarHBondContact O-CA 3.38Å; A171-I241 PolarHBondContact N-O 3.13Å; A171-I241 PolarHBondContact O-N 3.34Å
172Y98.3Very high95.9Very high0 Ų035 Ų350%022%0.222CC..EExtended strand (participates in β ladder)trans-119.3134.4-175.9174.8-85.4000111V153 L155 F158 A174 L192 H193 L196 F210 A238 V239 L240V153-Y172 HydrophobicContact CB-CD1 4.41Å; V153-Y172 HydrophobicContact CB-CE1 4.01Å; V153-Y172 HydrophobicContact CG1-CD1 3.92Å; V153-Y172 HydrophobicContact CG1-CE1 3.91Å; L155-Y172 PolarHBondContact N-O 2.88Å; L155-Y172 PolarHBondContact O-N 3.38Å; F158-Y172 VanDerWaalsContact CD2-CB 3.48Å; F158-Y172 HydrophobicContact CD2-CG 4.21Å; F158-Y172 HydrophobicContact CE2-CD2 4.35Å; F158-Y172 HydrophobicContact CE2-CG 4.31Å; Y172-A174 HydrophobicContact CE1-CB 3.68Å; Y172-A174 WeakPolarHBondContact OH-CB 3.45Å; Y172-L192 WeakPolarHBondContact OH-CD2 3.5Å; Y172-H193 HydrophobicContact CD1-CB 3.85Å; Y172-H193 HydrophobicContact CD2-CB 4.31Å; Y172-H193 HydrophobicContact CE1-CB 3.71Å; Y172-H193 HydrophobicContact CE2-CB 4.13Å; Y172-H193 HydrophobicContact CG-CB 4.17Å; Y172-L196 HydrophobicContact CD2-CD2 3.91Å; Y172-L196 HydrophobicContact CE2-CD2 4.01Å; Y172-F210 HydrophobicContact CD2-CZ 4.45Å; Y172-F210 AromaticContact CE2-CE1 3.98Å; Y172-F210 HydrophobicContact CE2-CE1 3.98Å; Y172-F210 HydrophobicContact CE2-CZ 4.31Å; Y172-A238 HydrophobicContact CE2-CB 3.88Å; Y172-V239 WeakPolarHBondContact CA-O 3.27Å; Y172-L240 HydrophobicContact CD2-CD1 4.26Å
173Y98.8Very high96Very high0 Ų036.8 Ų36.80%023%0.233CC..EExtended strand (participates in β ladder)trans-137.2139.3179.6-58.3-81.1000109.8F134 C136 V153 A154 T156 A171 A238 V239 I241 M403 V405F134-Y173 WeakPolarHBondContact CB-OH 3.16Å; C136-Y173 HydrophobicContact CB-CE1 4.1Å; V153-Y173 CarbonylContact O-C 3.45Å; V153-Y173 VanDerWaalsContact O-CA 3.27Å; V153-Y173 WeakPolarHBondContact O-CA 3.17Å; A154-Y173 HydrophobicContact CB-CD1 3.91Å; A154-Y173 HydrophobicContact CB-CE1 4.07Å; T156-Y173 WeakPolarHBondContact CG2-OH 3.46Å; A171-Y173 HydrophobicContact CB-CE2 3.61Å; Y173-A238 CarbonylContact O-C 3.45Å; Y173-A238 VanDerWaalsContact O-CA 3.27Å; Y173-A238 WeakPolarHBondContact O-CA 3.37Å; Y173-V239 PolarHBondContact N-O 3.37Å; Y173-V239 PolarHBondContact O-N 3.3Å; Y173-I241 HydrophobicContact CD2-CD1 4.44Å; Y173-I241 HydrophobicContact CE2-CD1 3.97Å; Y173-M403 HydrophobicContact CD1-SD 3.69Å; Y173-M403 HydrophobicContact CG-SD 4.11Å; Y173-V405 HydrophobicContact CD1-CG2 3.49Å; Y173-V405 VanDerWaalsContact CD1-CG2 3.49Å; Y173-V405 HydrophobicContact CD2-CG1 4.16Å; Y173-V405 HydrophobicContact CD2-CG2 3.84Å; Y173-V405 HydrophobicContact CE1-CG1 4.11Å; Y173-V405 HydrophobicContact CE1-CG2 3.7Å; Y173-V405 HydrophobicContact CE2-CB 4.43Å; Y173-V405 HydrophobicContact CE2-CG1 3.6Å; Y173-V405 HydrophobicContact CE2-CG2 4.04Å; Y173-V405 HydrophobicContact CG-CG2 3.55Å
174A98.9Very high96.2Very high0 Ų035.2 Ų35.20%022%0.217CC..EExtended strand (participates in β ladder)trans-152152177.100000113.3H152 V153 Y172 F176 V237 A238H152-A174 CarbonylContact C-O 3.48Å; H152-A174 WeakPolarHBondContact CA-O 3.31Å; H152-A174 WeakPolarHBondContact CB-O 3.42Å; V153-A174 PolarHBondContact N-O 3.49Å; V153-A174 PolarHBondContact O-N 3.35Å; Y172-A174 HydrophobicContact CE1-CB 3.68Å; Y172-A174 WeakPolarHBondContact OH-CB 3.45Å; A174-F176 HydrophobicContact CB-CD2 4.39Å; A174-F176 HydrophobicContact CB-CE1 4.45Å; A174-F176 HydrophobicContact CB-CE2 3.53Å; A174-F176 HydrophobicContact CB-CZ 3.59Å; A174-V237 CarbonylContact C-O 3.55Å; A174-V237 WeakPolarHBondContact CA-O 3.42Å; A174-V237 WeakPolarHBondContact CB-O 3.21Å; A174-A238 HydrophobicContact CB-CB 3.94Å
175V98.9Very high96.4Very high0 Ų033.5 Ų33.50%021%0.208CC..EExtended strand (participates in β ladder)trans-125.3135.1168.21750000107.9H152 G236 V237 L336 C338 T401 M403H152-V175 HydrophobicContact CB-CG2 4.39Å; V175-G236 WeakPolarHBondContact O-CA 3.44Å; V175-V237 HydrophobicContact CB-CG1 4.08Å; V175-V237 PolarHBondContact N-O 2.92Å; V175-V237 PolarHBondContact O-N 3.36Å; V175-L336 HydrophobicContact CG2-CB 3.86Å; V175-C338 HydrophobicContact CG1-CB 4.31Å; V175-T401 HydrophobicContact CG1-CG2 3.93Å; V175-T401 HydrophobicContact CG2-CG2 4Å; V175-M403 HydrophobicContact CG2-CB 4.44Å
176F98.9Very high96.7Very high0 Ų027.2 Ų27.20%018%0.18CC..EExtended strand (participates in β ladder)trans-127.4113.1178.8-55.7-78.8000108D150 K151 V153 A174 A185 A188 A189 L192 T235D150-F176 CarbonylContact C-O 3.54Å; D150-F176 WeakPolarHBondContact CA-O 3.39Å; K151-F176 HydrophobicContact CB-CB 4.41Å; K151-F176 HydrophobicContact CB-CD2 4.47Å; K151-F176 PolarHBondContact N-O 2.92Å; K151-F176 PolarHBondContact O-N 3.38Å; V153-F176 HydrophobicContact CG2-CE2 4.12Å; A174-F176 HydrophobicContact CB-CD2 4.39Å; A174-F176 HydrophobicContact CB-CE1 4.45Å; A174-F176 HydrophobicContact CB-CE2 3.53Å; A174-F176 HydrophobicContact CB-CZ 3.59Å; F176-A185 HydrophobicContact CB-CB 4.1Å; F176-A188 HydrophobicContact CD1-CB 3.43Å; F176-A188 VanDerWaalsContact CD1-CB 3.43Å; F176-A188 HydrophobicContact CD2-CB 4.49Å; F176-A188 HydrophobicContact CE1-CB 3.5Å; F176-A188 HydrophobicContact CG-CB 3.95Å; F176-A188 HydrophobicContact CZ-CB 4.07Å; F176-A189 HydrophobicContact CD2-CB 3.86Å; F176-A189 VanDerWaalsContact CE2-CA 3.49Å; F176-A189 HydrophobicContact CE2-CB 3.95Å; F176-L192 HydrophobicContact CE1-CD2 3.77Å; F176-L192 HydrophobicContact CZ-CB 4.31Å; F176-L192 HydrophobicContact CZ-CD2 3.84Å; F176-T235 WeakPolarHBondContact CA-O 3.27Å
177D98.8Very high97Very high13 Ų1324.9 Ų24.97%0.0717%0.167CC..  trans-91123.1173.7-169.5-26.2000108.4S234 T235 C338 D339D177-S234 CarbonylContact O-C 3.19Å; D177-S234 WeakPolarHBondContact O-CA 3.37Å; D177-S234 WeakPolarHBondContact O-CB 3.38Å; D177-S234 PolarHBondContact O-OG 2.87Å; D177-T235 HydrophobicContact CB-CG2 4.31Å; D177-T235 WeakPolarHBondContact CB-OG1 3.45Å; D177-T235 PolarHBondContact N-OG1 3.45Å; D177-T235 PolarHBondContact O-N 3.4Å; D177-C338 HydrophobicContact CB-CB 4Å; D177-C338 WeakPolarHBondContact OD2-CB 3.5Å; D177-D339 VanDerWaalsContact OD2-OD1 3.09Å
178G98.5Very high97.4Very high4 Ų421.3 Ų21.34%0.04113%0.131CC..EExtended strand (participates in β ladder)trans-100.1142-175.400000111.8E149E149-G178 WeakPolarHBondContact CB-O 3.3Å
179H97.4Very high97.8Very high43 Ų4320.2 Ų20.220%0.19913%0.125CC..EExtended strand (participates in β ladder)trans-136.7149.3174.759.9-100.4000112.4G181 S232 G233 D309H179-G181 PolarHBondContact O-N 3.09Å; H179-S232 WeakPolarHBondContact O-CA 3.47Å; H179-S232 WeakPolarHBondContact O-CB 3.37Å; H179-G233 PolarHBondContact N-O 2.72Å; H179-G233 WeakPolarHBondContact NE2-CA 3.48Å; H179-G233 PolarHBondContact O-N 2.98Å; H179-D309 IonicContact CD2-OD1 3.97Å; H179-D309 IonicContact CD2-OD2 2.68Å; H179-D309 IonicContact CE1-OD2 3.67Å; H179-D309 PolarHBondContact CE1-OD2 2.74Å; H179-D309 VanDerWaalsContact CE1-OD2 3.23Å; H179-D309 IonicContact NE2-OD1 3.73Å; H179-D309 PolarHBondContact NE2-OD1 3.08Å; H179-D309 IonicContact NE2-OD2 3.42Å; H179-D309 PolarHBondContact NE2-OD2 3.24Å
180G95.8Very high98.1Very high72 Ų7215.4 Ų15.474%0.74210%0.103SC*.SBendtrans67.819-176.300000113.2
181G97.2Very high98.3Very high9 Ų915.4 Ų15.49%0.09310%0.103CC..SBendtrans126159.7-172.100000112E149 H179 S232E149-G181 WeakPolarHBondContact OE1-CA 3.27Å; E149-G181 PolarHBondContact OE1-N 2.85Å; H179-G181 PolarHBondContact O-N 3.09Å; G181-S232 WeakPolarHBondContact O-CB 3.37Å
182V97.9Very high98.4Very high36 Ų3615.4 Ų15.422%0.21810%0.103CC..SBendtrans-89.8-8.3-17466.50000113.7E149 K151 A184 A185 I186E149-V182 HydrophobicContact CB-CB 4.37Å; E149-V182 HydrophobicContact CG-CB 4.4Å; K151-V182 VanDerWaalsContact CE-CG2 3.49Å; V182-A184 PolarHBondContact O-N 3.02Å; V182-A185 PolarHBondContact O-N 3.34Å; V182-I186 HydrophobicContact CB-CD1 4.4Å; V182-I186 HydrophobicContact CG1-CD1 3.81Å; V182-I186 HydrophobicContact CG2-CD1 3.87Å; V182-I186 HydrophobicContact CG2-CG1 3.96Å; V182-I186 PolarHBondContact O-N 3.41Å
183D98.5Very high98.4Very high66 Ų6615.8 Ų15.835%0.35311%0.105SC..Hα-helixtrans-65-39.4-167.6-46.5-78.9000113.2I186 Y187 F221 L230 S232D183-I186 PolarHBondContact O-N 2.89Å; D183-Y187 VanDerWaalsContact O-CB 3.32Å; D183-Y187 WeakPolarHBondContact O-CB 3.48Å; D183-Y187 PolarHBondContact O-N 3.1Å; D183-F221 HydrophobicContact CB-CZ 4.43Å; D183-L230 HydrophobicContact CB-CD1 3.9Å; D183-L230 HydrophobicContact CB-CD2 4.4Å; D183-S232 WeakPolarHBondContact CB-OG 3.2Å
184A98.6Very high98.4Very high0 Ų015.9 Ų15.90%011%0.106CC..Hα-helixtrans-63.5-42.6176.300000112.2V182 Y187 A188 F221 S232 G233V182-A184 PolarHBondContact O-N 3.02Å; A184-Y187 PolarHBondContact O-N 3Å; A184-A188 WeakPolarHBondContact O-CB 3.44Å; A184-A188 PolarHBondContact O-N 3.32Å; A184-F221 VanDerWaalsContact CA-CZ 3.43Å; A184-F221 HydrophobicContact CB-CD1 4.28Å; A184-F221 HydrophobicContact CB-CE1 3.49Å; A184-F221 VanDerWaalsContact CB-CE1 3.49Å; A184-F221 HydrophobicContact CB-CZ 3.67Å; A184-S232 PolarHBondContact N-OG 3.33Å; A184-G233 VanDerWaalsContact CB-C 3.41Å
185A98.8Very high98.4Very high0 Ų016.4 Ų16.40%011%0.109CC..Hα-helixtrans-66.4-41.6177.300000111.8E149 K151 F176 V182 Y187 A188 A189 S234E149-A185 VanDerWaalsContact O-CB 3.26Å; E149-A185 WeakPolarHBondContact O-CB 3.24Å; K151-A185 HydrophobicContact CB-CB 4.31Å; K151-A185 HydrophobicContact CG-CB 3.89Å; F176-A185 HydrophobicContact CB-CB 4.1Å; V182-A185 PolarHBondContact O-N 3.34Å; A185-Y187 VanDerWaalsContact C-N 3.32Å; A185-Y187 PolarHBondContact O-N 2.87Å; A185-A188 PolarHBondContact O-N 2.79Å; A185-A189 VanDerWaalsContact O-CB 3.3Å; A185-A189 WeakPolarHBondContact O-CB 3.43Å; A185-A189 PolarHBondContact O-N 2.63Å; A185-S234 WeakPolarHBondContact CA-OG 3.26Å; A185-S234 WeakPolarHBondContact CB-OG 3.42Å
186I98.7Very high98.4Very high56 Ų5616.4 Ų16.429%0.28711%0.109SC..Hα-helixtrans-60.1-45.2172.4-73.6167.9000110.4K151 V182 D183 A189 T190K151-I186 HydrophobicContact CD-CG1 4.07Å; K151-I186 VanDerWaalsContact CE-CG1 3.48Å; K151-I186 HydrophobicContact CG-CG1 4.12Å; V182-I186 HydrophobicContact CB-CD1 4.4Å; V182-I186 HydrophobicContact CG1-CD1 3.81Å; V182-I186 HydrophobicContact CG2-CD1 3.87Å; V182-I186 HydrophobicContact CG2-CG1 3.96Å; V182-I186 PolarHBondContact O-N 3.41Å; D183-I186 PolarHBondContact O-N 2.89Å; I186-A189 PolarHBondContact O-N 3.5Å; I186-T190 VanDerWaalsContact O-CB 3.31Å; I186-T190 WeakPolarHBondContact O-CB 3.33Å; I186-T190 PolarHBondContact O-N 3.4Å; I186-T190 PolarHBondContact O-OG1 3.4Å
187Y98.8Very high98.4Very high5 Ų517.4 Ų17.42%0.0212%0.115CC..Hα-helixtrans-64-46-178.7-160.2-94.1000111.9E40 D183 A184 A185 T190 H191 T217 M220 F221 K224E40-Y187 HydrophobicContact CG-CE2 4.03Å; E40-Y187 VanDerWaalsContact CG-OH 3.22Å; E40-Y187 WeakPolarHBondContact CG-OH 3.37Å; E40-Y187 WeakPolarHBondContact OE1-CE2 3.48Å; E40-Y187 PolarHBondContact OE1-OH 3.06Å; D183-Y187 VanDerWaalsContact O-CB 3.32Å; D183-Y187 WeakPolarHBondContact O-CB 3.48Å; D183-Y187 PolarHBondContact O-N 3.1Å; A184-Y187 PolarHBondContact O-N 3Å; A185-Y187 VanDerWaalsContact C-N 3.32Å; A185-Y187 PolarHBondContact O-N 2.87Å; Y187-T190 PolarHBondContact O-N 3.14Å; Y187-H191 AromaticContact CD1-CD2 3.68Å; Y187-H191 AromaticContact CD2-CD2 3.44Å; Y187-H191 VanDerWaalsContact CD2-CD2 3.44Å; Y187-H191 WeakPolarHBondContact CD2-CD2 3.22Å; Y187-H191 AromaticContact CD2-NE2 3.68Å; Y187-H191 HydrophobicContact CE1-CB 4.4Å; Y187-H191 AromaticContact CE1-CD2 3.64Å; Y187-H191 AromaticContact CE2-CD2 3.39Å; Y187-H191 WeakPolarHBondContact CE2-CD2 3.19Å; Y187-H191 AromaticContact CE2-NE2 3.44Å; Y187-H191 WeakPolarHBondContact CE2-NE2 3.37Å; Y187-H191 AromaticContact CG-CD2 3.62Å; Y187-H191 AromaticContact CZ-CD2 3.52Å; Y187-H191 AromaticContact CZ-NE2 3.91Å; Y187-H191 WeakPolarHBondContact O-CB 3.5Å; Y187-H191 PolarHBondContact O-CD2 3.36Å; Y187-H191 PolarHBondContact O-N 3.01Å; Y187-T217 HydrophobicContact CD1-CG2 4.21Å; Y187-T217 HydrophobicContact CE1-CG2 4.4Å; Y187-M220 HydrophobicContact CE1-CB 3.91Å; Y187-M220 VanDerWaalsContact OH-C 3.31Å; Y187-M220 VanDerWaalsContact OH-CB 3.31Å; Y187-M220 WeakPolarHBondContact OH-CB 3.42Å; Y187-M220 PolarHBondContact OH-O 3.4Å; Y187-F221 HydrophobicContact CD1-CB 3.5Å; Y187-F221 VanDerWaalsContact CD1-CB 3.5Å; Y187-F221 AromaticContact CD1-CD2 3.67Å; Y187-F221 HydrophobicContact CD1-CD2 3.67Å; Y187-F221 AromaticContact CD1-CG 3.9Å; Y187-F221 HydrophobicContact CD1-CG 3.9Å; Y187-F221 AromaticContact CD2-CD2 3.78Å; Y187-F221 HydrophobicContact CD2-CD2 3.78Å; Y187-F221 HydrophobicContact CD2-CE2 4.42Å; Y187-F221 HydrophobicContact CE1-CB 3.62Å; Y187-F221 HydrophobicContact CE1-CD2 4.25Å; Y187-F221 HydrophobicContact CE1-CG 4.39Å; Y187-F221 VanDerWaalsContact CE1-N 3.33Å; Y187-F221 HydrophobicContact CE2-CD2 4.35Å; Y187-F221 HydrophobicContact CG-CB 4.15Å; Y187-F221 AromaticContact CG-CD2 3.37Å; Y187-F221 HydrophobicContact CG-CD2 3.37Å; Y187-F221 HydrophobicContact CG-CE2 4.12Å; Y187-F221 HydrophobicContact CG-CG 4.07Å; Y187-K224 HydrophobicContact CD2-CD 3.45Å; Y187-K224 VanDerWaalsContact CD2-CD 3.45Å; Y187-K224 HydrophobicContact CE2-CB 4.13Å; Y187-K224 HydrophobicContact CE2-CD 3.31Å; Y187-K224 HydrophobicContact CE2-CG 4.35Å
188A98.8Very high98.4Very high0 Ų022 Ų220%014%0.135CC..Hα-helixtrans-61.5-45.7176.900000111.6F176 A184 A185 T190 H191 L192 I307F176-A188 HydrophobicContact CD1-CB 3.43Å; F176-A188 VanDerWaalsContact CD1-CB 3.43Å; F176-A188 HydrophobicContact CD2-CB 4.49Å; F176-A188 HydrophobicContact CE1-CB 3.5Å; F176-A188 HydrophobicContact CG-CB 3.95Å; F176-A188 HydrophobicContact CZ-CB 4.07Å; A184-A188 WeakPolarHBondContact O-CB 3.44Å; A184-A188 PolarHBondContact O-N 3.32Å; A185-A188 PolarHBondContact O-N 2.79Å; A188-T190 VanDerWaalsContact C-N 3.31Å; A188-T190 PolarHBondContact O-N 3.09Å; A188-H191 PolarHBondContact O-N 3.45Å; A188-L192 WeakPolarHBondContact O-CB 3.3Å; A188-L192 PolarHBondContact O-N 3.43Å; A188-I307 HydrophobicContact CB-CD1 3.63Å
189A98.8Very high98.3Very high12 Ų1223.6 Ų23.610%0.09914%0.141CC..Hα-helixtrans-60.8-39.3175.900000112.5K151 V153 F176 A185 I186 H193K151-A189 HydrophobicContact CB-CB 3.83Å; K151-A189 HydrophobicContact CG-CB 4.45Å; V153-A189 HydrophobicContact CG2-CB 3.84Å; V153-A189 WeakPolarHBondContact CG2-O 3.39Å; F176-A189 HydrophobicContact CD2-CB 3.86Å; F176-A189 VanDerWaalsContact CE2-CA 3.49Å; F176-A189 HydrophobicContact CE2-CB 3.95Å; A185-A189 VanDerWaalsContact O-CB 3.3Å; A185-A189 WeakPolarHBondContact O-CB 3.43Å; A185-A189 PolarHBondContact O-N 2.63Å; I186-A189 PolarHBondContact O-N 3.5Å; A189-H193 PolarHBondContact O-CE1 3.32Å; A189-H193 PolarHBondContact O-ND1 3.07Å; A189-H193 VanDerWaalsContact O-ND1 3.1Å
190T98.8Very high98.3Very high5 Ų531 Ų313%0.03118%0.176CC..Hα-helixtrans-74.6-34.7-178.8-54.40000112.7L32 E44 E47 I186 Y187 A188 H193L32-T190 HydrophobicContact CD1-CG2 3.83Å; E44-T190 HydrophobicContact CG-CG2 4.46Å; E47-T190 HydrophobicContact CB-CG2 4.11Å; I186-T190 VanDerWaalsContact O-CB 3.31Å; I186-T190 WeakPolarHBondContact O-CB 3.33Å; I186-T190 PolarHBondContact O-N 3.4Å; I186-T190 PolarHBondContact O-OG1 3.4Å; Y187-T190 PolarHBondContact O-N 3.14Å; A188-T190 VanDerWaalsContact C-N 3.31Å; A188-T190 PolarHBondContact O-N 3.09Å; T190-H193 PolarHBondContact O-CE1 2.96Å; T190-H193 VanDerWaalsContact O-CE1 3.23Å
191H98.8Very high98.3Very high3 Ų329.5 Ų29.51%0.01415%0.153CC..Hα-helixtrans-117.6-26.3-165-60.4-64.9000115.8E40 Y187 A188 H193 V194 T195 T217 M220E40-H191 PolarHBondContact O-CE1 2.97Å; E40-H191 VanDerWaalsContact O-CE1 3.32Å; Y187-H191 AromaticContact CD1-CD2 3.68Å; Y187-H191 AromaticContact CD2-CD2 3.44Å; Y187-H191 VanDerWaalsContact CD2-CD2 3.44Å; Y187-H191 WeakPolarHBondContact CD2-CD2 3.22Å; Y187-H191 AromaticContact CD2-NE2 3.68Å; Y187-H191 HydrophobicContact CE1-CB 4.4Å; Y187-H191 AromaticContact CE1-CD2 3.64Å; Y187-H191 AromaticContact CE2-CD2 3.39Å; Y187-H191 WeakPolarHBondContact CE2-CD2 3.19Å; Y187-H191 AromaticContact CE2-NE2 3.44Å; Y187-H191 WeakPolarHBondContact CE2-NE2 3.37Å; Y187-H191 AromaticContact CG-CD2 3.62Å; Y187-H191 AromaticContact CZ-CD2 3.52Å; Y187-H191 AromaticContact CZ-NE2 3.91Å; Y187-H191 WeakPolarHBondContact O-CB 3.5Å; Y187-H191 PolarHBondContact O-CD2 3.36Å; Y187-H191 PolarHBondContact O-N 3.01Å; A188-H191 PolarHBondContact O-N 3.45Å; H191-H193 PolarHBondContact O-N 3.13Å; H191-V194 WeakPolarHBondContact O-CB 3.28Å; H191-V194 PolarHBondContact O-N 3.02Å; H191-V194 VanDerWaalsContact O-N 3.1Å; H191-T195 PolarHBondContact O-N 3.14Å; H191-T195 PolarHBondContact O-OG1 2.79Å; H191-T195 VanDerWaalsContact O-OG1 3.09Å; H191-T217 HydrophobicContact CB-CG2 4.28Å; H191-M220 HydrophobicContact CB-CE 4.44Å
192L98.9Very high98.3Very high0 Ų029.5 Ų29.50%015%0.15CC..Hα-helixtrans-60.4-47-171.5179.359.4000112.9Y172 F176 A188 V194 T195 L196 A213 F214 T217 A238Y172-L192 WeakPolarHBondContact OH-CD2 3.5Å; F176-L192 HydrophobicContact CE1-CD2 3.77Å; F176-L192 HydrophobicContact CZ-CB 4.31Å; F176-L192 HydrophobicContact CZ-CD2 3.84Å; A188-L192 WeakPolarHBondContact O-CB 3.3Å; A188-L192 PolarHBondContact O-N 3.43Å; L192-V194 VanDerWaalsContact C-N 3.28Å; L192-V194 PolarHBondContact O-N 3.03Å; L192-T195 PolarHBondContact O-N 3.41Å; L192-L196 WeakPolarHBondContact O-CB 2.99Å; L192-L196 PolarHBondContact O-N 2.99Å; L192-A213 HydrophobicContact CD1-CB 4.05Å; L192-F214 HydrophobicContact CD1-CB 4.46Å; L192-F214 HydrophobicContact CD1-CD1 4.14Å; L192-F214 HydrophobicContact CD1-CD2 4.09Å; L192-F214 HydrophobicContact CD1-CE1 4.49Å; L192-F214 HydrophobicContact CD1-CE2 4.4Å; L192-F214 HydrophobicContact CD1-CG 3.96Å; L192-F214 HydrophobicContact CD2-CD1 4.02Å; L192-F214 HydrophobicContact CD2-CD2 4.26Å; L192-F214 HydrophobicContact CD2-CE1 3.54Å; L192-F214 HydrophobicContact CD2-CE2 3.77Å; L192-F214 HydrophobicContact CD2-CG 4.38Å; L192-F214 HydrophobicContact CD2-CZ 3.41Å; L192-F214 VanDerWaalsContact CD2-CZ 3.41Å; L192-T217 HydrophobicContact CB-CG2 4.46Å; L192-A238 HydrophobicContact CD2-CB 4.28Å
193H98.8Very high98.1Very high7 Ų733.2 Ų33.23%0.03217%0.165CC..Hα-helixtrans-65.7-30.9178.463.3-71.6000112.5F158 F162 Y172 A189 T190 H191 S197F158-H193 HydrophobicContact CE2-CB 4.19Å; F162-H193 AromaticContact CE2-CD2 3.98Å; F162-H193 AromaticContact CZ-CD2 3.48Å; F162-H193 VanDerWaalsContact CZ-CD2 3.48Å; F162-H193 WeakPolarHBondContact CZ-CD2 3.42Å; F162-H193 WeakPolarHBondContact CZ-O 3.29Å; Y172-H193 HydrophobicContact CD1-CB 3.85Å; Y172-H193 HydrophobicContact CD2-CB 4.31Å; Y172-H193 HydrophobicContact CE1-CB 3.71Å; Y172-H193 HydrophobicContact CE2-CB 4.13Å; Y172-H193 HydrophobicContact CG-CB 4.17Å; A189-H193 PolarHBondContact O-CE1 3.32Å; A189-H193 PolarHBondContact O-ND1 3.07Å; A189-H193 VanDerWaalsContact O-ND1 3.1Å; T190-H193 PolarHBondContact O-CE1 2.96Å; T190-H193 VanDerWaalsContact O-CE1 3.23Å; H191-H193 PolarHBondContact O-N 3.13Å; H193-S197 PolarHBondContact O-N 3.43Å
194V98.8Very high97.8Very high3 Ų335 Ų352%0.01818%0.183CC..Hα-helixtrans-71.7-40.1174.1-173.80000111.4Q42 L46 F162 H191 L192 S197 K198Q42-V194 HydrophobicContact CB-CG1 4.19Å; Q42-V194 HydrophobicContact CG-CG1 4Å; L46-V194 HydrophobicContact CD1-CG2 4.48Å; F162-V194 HydrophobicContact CE1-CB 4.14Å; F162-V194 HydrophobicContact CE1-CG1 4.18Å; F162-V194 HydrophobicContact CE1-CG2 3.92Å; F162-V194 HydrophobicContact CZ-CB 4.3Å; F162-V194 HydrophobicContact CZ-CG2 3.96Å; H191-V194 WeakPolarHBondContact O-CB 3.28Å; H191-V194 PolarHBondContact O-N 3.02Å; H191-V194 VanDerWaalsContact O-N 3.1Å; L192-V194 VanDerWaalsContact C-N 3.28Å; L192-V194 PolarHBondContact O-N 3.03Å; V194-S197 PolarHBondContact O-OG 2.92Å; V194-K198 WeakPolarHBondContact O-CG 3.37Å
195T98.7Very high97.7Very high11 Ų1138.6 Ų38.67%0.06720%0.202CC..Hα-helixtrans-68-39.5175.3-54.40000110.7H191 L192 K198 Q199 A213 K216 T217H191-T195 PolarHBondContact O-N 3.14Å; H191-T195 PolarHBondContact O-OG1 2.79Å; H191-T195 VanDerWaalsContact O-OG1 3.09Å; L192-T195 PolarHBondContact O-N 3.41Å; T195-K198 PolarHBondContact O-N 3.33Å; T195-Q199 WeakPolarHBondContact O-CG 3.24Å; T195-Q199 PolarHBondContact O-NE2 2.83Å; T195-A213 HydrophobicContact CG2-CB 4.08Å; T195-K216 HydrophobicContact CG2-CB 3.64Å; T195-K216 HydrophobicContact CG2-CG 3.53Å; T195-T217 PolarHBondContact OG1-OG1 2.82Å
196L98.8Very high97.7Very high0 Ų038.8 Ų38.80%020%0.203CC..Hα-helixtrans-61.5-44.1176.6179.863.9000112.3F158 Y172 L192 K198 Q199 L202 A209 F210 A213 L240F158-L196 HydrophobicContact CE2-CD2 4.37Å; F158-L196 HydrophobicContact CZ-CD2 4.27Å; F158-L196 HydrophobicContact CZ-CG 4.34Å; Y172-L196 HydrophobicContact CD2-CD2 3.91Å; Y172-L196 HydrophobicContact CE2-CD2 4.01Å; L192-L196 WeakPolarHBondContact O-CB 2.99Å; L192-L196 PolarHBondContact O-N 2.99Å; L196-K198 PolarHBondContact O-N 2.97Å; L196-K198 VanDerWaalsContact O-N 3.14Å; L196-Q199 WeakPolarHBondContact O-CB 3.4Å; L196-Q199 WeakPolarHBondContact O-CG 3.47Å; L196-Q199 PolarHBondContact O-N 3.17Å; L196-Q199 VanDerWaalsContact O-N 3.11Å; L196-L202 HydrophobicContact CD1-CD1 3.85Å; L196-L202 HydrophobicContact CG-CD1 3.89Å; L196-A209 HydrophobicContact CD1-CB 3.95Å; L196-F210 HydrophobicContact CD1-CD1 4.07Å; L196-F210 HydrophobicContact CD1-CD2 4.45Å; L196-F210 HydrophobicContact CD1-CE1 4.4Å; L196-F210 HydrophobicContact CD1-CG 4.11Å; L196-F210 HydrophobicContact CD2-CD1 4.08Å; L196-F210 HydrophobicContact CD2-CE1 3.58Å; L196-F210 HydrophobicContact CD2-CE2 4.31Å; L196-F210 HydrophobicContact CD2-CZ 3.72Å; L196-A213 HydrophobicContact CB-CB 3.97Å; L196-A213 HydrophobicContact CD1-CB 4.22Å; L196-L240 HydrophobicContact CD2-CD1 4.31Å; L196-L240 HydrophobicContact CD2-CD2 4.49Å
197S98.3Very high97.6Very high20 Ų2037.3 Ų37.314%0.1420%0.198CC..Hα-helixtrans-64.2-19.3-178.468.20000114F162 H193 V194F162-S197 VanDerWaalsContact CD1-OG 3.22Å; F162-S197 WeakPolarHBondContact CD1-OG 3.4Å; F162-S197 WeakPolarHBondContact CE1-OG 3.45Å; F162-S197 WeakPolarHBondContact CG-OG 3.34Å; H193-S197 PolarHBondContact O-N 3.43Å; V194-S197 PolarHBondContact O-OG 2.92Å
198K97.8Very high97.6Very high111 Ų11141.4 Ų41.448%0.48322%0.219SC..THydrogen-bonded Turntrans-91.8-4.5178.5-65.5175.3-177.6179.70114V194 T195 L196 E200V194-K198 WeakPolarHBondContact O-CG 3.37Å; T195-K198 PolarHBondContact O-N 3.33Å; L196-K198 PolarHBondContact O-N 2.97Å; L196-K198 VanDerWaalsContact O-N 3.14Å; K198-E200 PolarHBondContact O-N 2.96Å
199Q98.1Very high97.6Very high37 Ų3741.4 Ų41.417%0.17322%0.219CC..  trans-76.5126.3-177.2-59.1-53.4-49.200110.9T195 L196 T201 L202 A209 A213T195-Q199 WeakPolarHBondContact O-CG 3.24Å; T195-Q199 PolarHBondContact O-NE2 2.83Å; L196-Q199 WeakPolarHBondContact O-CB 3.4Å; L196-Q199 WeakPolarHBondContact O-CG 3.47Å; L196-Q199 PolarHBondContact O-N 3.17Å; L196-Q199 VanDerWaalsContact O-N 3.11Å; Q199-T201 PolarHBondContact O-N 3.38Å; Q199-L202 WeakPolarHBondContact O-CB 3.32Å; Q199-L202 PolarHBondContact O-N 3.05Å; Q199-A209 HydrophobicContact CB-CB 3.74Å; Q199-A209 HydrophobicContact CG-CB 4.18Å; Q199-A213 HydrophobicContact CG-CB 4.31Å
200E96.4Very high97.6Very high197 Ų19740.9 Ų40.992%0.92121%0.214SC*.THydrogen-bonded Turntrans-59.9-28.4176.8-61.5-178.2172.500112.4K198 L202K198-E200 PolarHBondContact O-N 2.96Å; E200-L202 VanDerWaalsContact C-N 3.32Å
201T96.8Very high97.6Very high42 Ų4244.6 Ų44.626%0.25823%0.23SC..THydrogen-bonded Turntrans-84.71.3179.151.60000113.7Q199 Q203 S204 N205 M208 A209Q199-T201 PolarHBondContact O-N 3.38Å; T201-Q203 PolarHBondContact O-N 2.62Å; T201-Q203 VanDerWaalsContact O-N 3.14Å; T201-S204 PolarHBondContact O-N 3.22Å; T201-N205 CarbonylContact O-C 3.49Å; T201-N205 WeakPolarHBondContact O-CA 3.46Å; T201-N205 PolarHBondContact O-N 3.16Å; T201-N205 VanDerWaalsContact O-O 3.09Å; T201-M208 HydrophobicContact CG2-CG 4.41Å; T201-A209 WeakPolarHBondContact OG1-CA 3.44Å; T201-A209 WeakPolarHBondContact OG1-CB 3.48Å; T201-A209 PolarHBondContact OG1-N 3.28Å
202L97.1Very high97.6Very high9 Ų947 Ų475%0.04725%0.245CC..THydrogen-bonded Turntrans-51.9-42.5-175.6179.563.8000112.9F158 I164 L196 Q199 E200 T206 A209 L240F158-L202 HydrophobicContact CE1-CD2 4.18Å; I164-L202 HydrophobicContact CD1-CD2 3.98Å; L196-L202 HydrophobicContact CD1-CD1 3.85Å; L196-L202 HydrophobicContact CG-CD1 3.89Å; Q199-L202 WeakPolarHBondContact O-CB 3.32Å; Q199-L202 PolarHBondContact O-N 3.05Å; E200-L202 VanDerWaalsContact C-N 3.32Å; L202-T206 PolarHBondContact O-OG1 2.93Å; L202-A209 HydrophobicContact CB-CB 4.44Å; L202-L240 HydrophobicContact CD1-CD2 3.86Å
203Q92.3Very high97.6Very high114 Ų11447 Ų4753%0.53325%0.245SC..THydrogen-bonded Turntrans-85.9-39.7-179.6-170-179.514.600113.1T201T201-Q203 PolarHBondContact O-N 2.62Å; T201-Q203 VanDerWaalsContact O-N 3.14Å
204S93.9Very high97.6Very high102 Ų10246.7 Ų46.771%0.71324%0.243SC*.THydrogen-bonded Turntrans-86.9-30.7-171.657.70000113.8T201T201-S204 PolarHBondContact O-N 3.22Å
205N96.6Very high97.6Very high76 Ų7650.2 Ų50.241%0.40626%0.258SS..  trans-154.678-179.8-171.8-20.3000110.1T201 S207 M208 A209T201-N205 CarbonylContact O-C 3.49Å; T201-N205 WeakPolarHBondContact O-CA 3.46Å; T201-N205 PolarHBondContact O-N 3.16Å; T201-N205 VanDerWaalsContact O-O 3.09Å; N205-S207 PolarHBondContact O-N 3.2Å; N205-M208 HydrophobicContact CB-CB 4.09Å; N205-M208 WeakPolarHBondContact O-CB 3.42Å; N205-M208 PolarHBondContact O-N 2.88Å; N205-M208 PolarHBondContact OD1-N 2.88Å; N205-A209 PolarHBondContact O-N 3.31Å
206T97.3Very high97.6Very high5 Ų553.2 Ų53.23%0.03127%0.27CS..Hα-helixtrans-58.6-33.9-178.2-46.80000112.8L202 A209 F210 L240 H242 T247L202-T206 PolarHBondContact O-OG1 2.93Å; T206-A209 WeakPolarHBondContact O-CB 3.42Å; T206-A209 PolarHBondContact O-N 3.27Å; T206-F210 HydrophobicContact CG2-CD2 4.02Å; T206-F210 HydrophobicContact CG2-CE2 4.11Å; T206-F210 WeakPolarHBondContact O-CD2 3.37Å; T206-F210 PolarHBondContact O-N 2.8Å; T206-L240 HydrophobicContact CG2-CB 4.49Å; T206-L240 HydrophobicContact CG2-CD2 3.56Å; T206-H242 PolarHBondContact OG1-CE1 3.39Å; T206-H242 PolarHBondContact OG1-NE2 3.21Å; T206-T247 HydrophobicContact CG2-CG2 4.04Å
207S97.8Very high97.6Very high25 Ų2553.2 Ų53.218%0.17527%0.27CS..Hα-helixtrans-59.7-46.5173.6-80.30000111.7N205 F210 K211 S322 T324N205-S207 PolarHBondContact O-N 3.2Å; S207-F210 PolarHBondContact O-N 3.21Å; S207-K211 WeakPolarHBondContact O-CG 3.4Å; S207-K211 PolarHBondContact O-N 3.11Å; S207-K211 VanDerWaalsContact O-N 3.13Å; S207-S322 WeakPolarHBondContact CA-OG 3.21Å; S207-S322 PolarHBondContact OG-OG 3.43Å; S207-T324 PolarHBondContact OG-OG1 3.37Å
208M98.4Very high97.6Very high91 Ų9152.4 Ų52.445%0.44826%0.264SS..Hα-helixtrans-64.5-44.6174.4-178.761.77200111.2T201 N205 F210 K211 T212T201-M208 HydrophobicContact CG2-CG 4.41Å; N205-M208 HydrophobicContact CB-CB 4.09Å; N205-M208 WeakPolarHBondContact O-CB 3.42Å; N205-M208 PolarHBondContact O-N 2.88Å; N205-M208 PolarHBondContact OD1-N 2.88Å; M208-F210 VanDerWaalsContact C-N 3.28Å; M208-F210 PolarHBondContact O-N 3.48Å; M208-K211 PolarHBondContact O-N 3.48Å; M208-K211 VanDerWaalsContact O-N 3.15Å; M208-T212 PolarHBondContact O-N 3.34Å; M208-T212 PolarHBondContact O-OG1 2.84Å; M208-T212 VanDerWaalsContact O-OG1 3.1Å
209A98.6Very high97.5Very high0 Ų049.9 Ų49.90%026%0.256CS..Hα-helixtrans-55-45.3177.700000111.6L196 Q199 T201 L202 N205 T206 T212 A213L196-A209 HydrophobicContact CD1-CB 3.95Å; Q199-A209 HydrophobicContact CB-CB 3.74Å; Q199-A209 HydrophobicContact CG-CB 4.18Å; T201-A209 WeakPolarHBondContact OG1-CA 3.44Å; T201-A209 WeakPolarHBondContact OG1-CB 3.48Å; T201-A209 PolarHBondContact OG1-N 3.28Å; L202-A209 HydrophobicContact CB-CB 4.44Å; N205-A209 PolarHBondContact O-N 3.31Å; T206-A209 WeakPolarHBondContact O-CB 3.42Å; T206-A209 PolarHBondContact O-N 3.27Å; A209-T212 PolarHBondContact O-N 3Å; A209-A213 WeakPolarHBondContact O-CB 3.29Å; A209-A213 PolarHBondContact O-N 2.82Å
210F98.6Very high97.5Very high0 Ų048.6 Ų48.60%025%0.25CS..Hα-helixtrans-60.8-49.7174.7-96.2-63.1000113Y172 L196 T206 S207 M208 T212 A213 F214 A238 L240 T247 A249Y172-F210 HydrophobicContact CD2-CZ 4.45Å; Y172-F210 AromaticContact CE2-CE1 3.98Å; Y172-F210 HydrophobicContact CE2-CE1 3.98Å; Y172-F210 HydrophobicContact CE2-CZ 4.31Å; L196-F210 HydrophobicContact CD1-CD1 4.07Å; L196-F210 HydrophobicContact CD1-CD2 4.45Å; L196-F210 HydrophobicContact CD1-CE1 4.4Å; L196-F210 HydrophobicContact CD1-CG 4.11Å; L196-F210 HydrophobicContact CD2-CD1 4.08Å; L196-F210 HydrophobicContact CD2-CE1 3.58Å; L196-F210 HydrophobicContact CD2-CE2 4.31Å; L196-F210 HydrophobicContact CD2-CZ 3.72Å; T206-F210 HydrophobicContact CG2-CD2 4.02Å; T206-F210 HydrophobicContact CG2-CE2 4.11Å; T206-F210 WeakPolarHBondContact O-CD2 3.37Å; T206-F210 PolarHBondContact O-N 2.8Å; S207-F210 PolarHBondContact O-N 3.21Å; M208-F210 VanDerWaalsContact C-N 3.28Å; M208-F210 PolarHBondContact O-N 3.48Å; F210-T212 VanDerWaalsContact C-N 3.3Å; F210-T212 PolarHBondContact O-N 2.95Å; F210-A213 PolarHBondContact O-N 3.21Å; F210-A213 VanDerWaalsContact O-N 3.09Å; F210-F214 HydrophobicContact CD1-CD2 4.29Å; F210-F214 HydrophobicContact CD1-CE2 4.04Å; F210-F214 WeakPolarHBondContact O-CD2 3.34Å; F210-F214 PolarHBondContact O-N 2.94Å; F210-A238 HydrophobicContact CE1-CB 3.75Å; F210-A238 HydrophobicContact CZ-CB 4.3Å; F210-L240 HydrophobicContact CE2-CB 3.5Å; F210-L240 VanDerWaalsContact CE2-CB 3.5Å; F210-L240 HydrophobicContact CZ-CB 3.62Å; F210-T247 HydrophobicContact CD2-CG2 3.63Å; F210-T247 HydrophobicContact CE2-CG2 3.9Å; F210-A249 HydrophobicContact CB-CB 3.48Å; F210-A249 VanDerWaalsContact CB-CB 3.48Å; F210-A249 HydrophobicContact CD1-CB 3.68Å; F210-A249 HydrophobicContact CD2-CB 4.08Å; F210-A249 HydrophobicContact CE1-CB 4.35Å; F210-A249 HydrophobicContact CG-CB 3.51Å
211K98.7Very high97.5Very high83 Ų8339.2 Ų39.236%0.36121%0.207SC..Hα-helixtrans-58.4-44.7179.8-70.1-174.5177.1-1670111.5S207 M208 K215 A320S207-K211 WeakPolarHBondContact O-CG 3.4Å; S207-K211 PolarHBondContact O-N 3.11Å; S207-K211 VanDerWaalsContact O-N 3.13Å; M208-K211 PolarHBondContact O-N 3.48Å; M208-K211 VanDerWaalsContact O-N 3.15Å; K211-K215 WeakPolarHBondContact O-CB 3.47Å; K211-K215 PolarHBondContact O-N 3Å; K211-K215 VanDerWaalsContact O-N 3.08Å; K211-A320 WeakPolarHBondContact CE-O 3.38Å; K211-A320 WeakPolarHBondContact CG-O 3.47Å
212T98.7Very high97.5Very high55 Ų5544.2 Ų44.234%0.33722%0.221SC..Hα-helixtrans-64.6-40.3175.3-53.60000111.6M208 A209 F210 K215 K216M208-T212 PolarHBondContact O-N 3.34Å; M208-T212 PolarHBondContact O-OG1 2.84Å; M208-T212 VanDerWaalsContact O-OG1 3.1Å; A209-T212 PolarHBondContact O-N 3Å; F210-T212 VanDerWaalsContact C-N 3.3Å; F210-T212 PolarHBondContact O-N 2.95Å; T212-K215 PolarHBondContact O-N 2.99Å; T212-K216 VanDerWaalsContact O-CB 3.27Å; T212-K216 WeakPolarHBondContact O-CB 3.19Å; T212-K216 PolarHBondContact O-N 3.39Å
213A98.8Very high97.2Very high0 Ų046.8 Ų46.80%023%0.232CC..Hα-helixtrans-64.1-50.4178.700000112.1L192 T195 L196 Q199 A209 F210 K215 K216 T217L192-A213 HydrophobicContact CD1-CB 4.05Å; T195-A213 HydrophobicContact CG2-CB 4.08Å; L196-A213 HydrophobicContact CB-CB 3.97Å; L196-A213 HydrophobicContact CD1-CB 4.22Å; Q199-A213 HydrophobicContact CG-CB 4.31Å; A209-A213 WeakPolarHBondContact O-CB 3.29Å; A209-A213 PolarHBondContact O-N 2.82Å; F210-A213 PolarHBondContact O-N 3.21Å; F210-A213 VanDerWaalsContact O-N 3.09Å; A213-K215 VanDerWaalsContact C-N 3.33Å; A213-K215 PolarHBondContact O-N 2.71Å; A213-K216 PolarHBondContact O-N 2.94Å; A213-T217 WeakPolarHBondContact O-CB 3.17Å; A213-T217 PolarHBondContact O-N 2.81Å; A213-T217 PolarHBondContact O-OG1 2.9Å
214F98.8Very high97.3Very high0 Ų042.1 Ų42.10%021%0.21CC..Hα-helixtrans-55.1-48.2174.6-91.1-79.6000111.7L192 F210 K216 T217 D218 A238 A249 L251 I307 A320L192-F214 HydrophobicContact CD1-CB 4.46Å; L192-F214 HydrophobicContact CD1-CD1 4.14Å; L192-F214 HydrophobicContact CD1-CD2 4.09Å; L192-F214 HydrophobicContact CD1-CE1 4.49Å; L192-F214 HydrophobicContact CD1-CE2 4.4Å; L192-F214 HydrophobicContact CD1-CG 3.96Å; L192-F214 HydrophobicContact CD2-CD1 4.02Å; L192-F214 HydrophobicContact CD2-CD2 4.26Å; L192-F214 HydrophobicContact CD2-CE1 3.54Å; L192-F214 HydrophobicContact CD2-CE2 3.77Å; L192-F214 HydrophobicContact CD2-CG 4.38Å; L192-F214 HydrophobicContact CD2-CZ 3.41Å; L192-F214 VanDerWaalsContact CD2-CZ 3.41Å; F210-F214 HydrophobicContact CD1-CD2 4.29Å; F210-F214 HydrophobicContact CD1-CE2 4.04Å; F210-F214 WeakPolarHBondContact O-CD2 3.34Å; F210-F214 PolarHBondContact O-N 2.94Å; F214-K216 VanDerWaalsContact C-N 3.34Å; F214-K216 PolarHBondContact O-N 3.36Å; F214-T217 PolarHBondContact O-N 3.06Å; F214-D218 WeakPolarHBondContact O-CB 3.25Å; F214-D218 PolarHBondContact O-N 3.32Å; F214-A238 HydrophobicContact CE2-CB 4.34Å; F214-A238 HydrophobicContact CZ-CB 4.23Å; F214-A249 HydrophobicContact CD2-CB 4.1Å; F214-A249 HydrophobicContact CE2-CB 3.63Å; F214-L251 HydrophobicContact CB-CD1 4.41Å; F214-L251 HydrophobicContact CD1-CD1 3.45Å; F214-L251 VanDerWaalsContact CD1-CD1 3.45Å; F214-L251 HydrophobicContact CD1-CG 4.04Å; F214-L251 HydrophobicContact CE1-CD1 4Å; F214-L251 HydrophobicContact CE1-CG 4.29Å; F214-L251 HydrophobicContact CG-CD1 4.25Å; F214-I307 HydrophobicContact CD1-CD1 4.04Å; F214-I307 HydrophobicContact CD1-CG1 4.43Å; F214-I307 HydrophobicContact CE1-CD1 4.26Å; F214-A320 HydrophobicContact CB-CB 3.68Å; F214-A320 HydrophobicContact CD1-CB 4.29Å; F214-A320 HydrophobicContact CD2-CB 3.7Å; F214-A320 HydrophobicContact CE2-CB 4.38Å; F214-A320 HydrophobicContact CG-CB 3.64Å
215K98.6Very high97.3Very high77 Ų7737.4 Ų37.434%0.33518%0.177SC..Hα-helixtrans-61.5-43.2179.2-172.959.3166.7-158.80112.2K211 T212 A213 D218 N219 D319K211-K215 WeakPolarHBondContact O-CB 3.47Å; K211-K215 PolarHBondContact O-N 3Å; K211-K215 VanDerWaalsContact O-N 3.08Å; T212-K215 PolarHBondContact O-N 2.99Å; A213-K215 VanDerWaalsContact C-N 3.33Å; A213-K215 PolarHBondContact O-N 2.71Å; K215-D218 PolarHBondContact O-N 3.21Å; K215-N219 VanDerWaalsContact O-CG 3.3Å; K215-N219 PolarHBondContact O-N 2.98Å; K215-N219 PolarHBondContact O-ND2 3.25Å; K215-D319 WeakPolarHBondContact CD-OD1 3.34Å; K215-D319 WeakPolarHBondContact CE-OD1 3.47Å; K215-D319 IonicContact NZ-OD1 3.27Å; K215-D319 PolarHBondContact NZ-OD1 3.01Å
216K98.4Very high97.1Very high73 Ų7339.4 Ų39.432%0.31718%0.183SC..Hα-helixtrans-68.2-40.8179176.460.9176.3173.40111.2E39 T195 T212 A213 F214 N219 M220E39-K216 VanDerWaalsContact CD-NZ 3.28Å; E39-K216 WeakPolarHBondContact OE1-CE 3.34Å; E39-K216 IonicContact OE1-NZ 3.97Å; E39-K216 PolarHBondContact OE1-NZ 3.44Å; E39-K216 IonicContact OE2-NZ 3.07Å; E39-K216 PolarHBondContact OE2-NZ 2.92Å; T195-K216 HydrophobicContact CG2-CB 3.64Å; T195-K216 HydrophobicContact CG2-CG 3.53Å; T212-K216 VanDerWaalsContact O-CB 3.27Å; T212-K216 WeakPolarHBondContact O-CB 3.19Å; T212-K216 PolarHBondContact O-N 3.39Å; A213-K216 PolarHBondContact O-N 2.94Å; F214-K216 VanDerWaalsContact C-N 3.34Å; F214-K216 PolarHBondContact O-N 3.36Å; K216-N219 PolarHBondContact O-N 3.24Å; K216-M220 HydrophobicContact CD-CG 4.26Å; K216-M220 HydrophobicContact CD-SD 4.41Å; K216-M220 HydrophobicContact CG-CG 4.49Å; K216-M220 HydrophobicContact CG-SD 4.1Å; K216-M220 WeakPolarHBondContact O-CB 3.15Å; K216-M220 VanDerWaalsContact O-CG 3.24Å; K216-M220 WeakPolarHBondContact O-CG 3.33Å; K216-M220 PolarHBondContact O-N 2.88Å
217T98.8Very high96.7Very high0 Ų041.2 Ų41.20%019%0.189CC..Hα-helixtrans-62.8-41.9174.5-56.60000111.8Y187 H191 L192 T195 A213 F214 M220 F221 I307Y187-T217 HydrophobicContact CD1-CG2 4.21Å; Y187-T217 HydrophobicContact CE1-CG2 4.4Å; H191-T217 HydrophobicContact CB-CG2 4.28Å; L192-T217 HydrophobicContact CB-CG2 4.46Å; T195-T217 PolarHBondContact OG1-OG1 2.82Å; A213-T217 WeakPolarHBondContact O-CB 3.17Å; A213-T217 PolarHBondContact O-N 2.81Å; A213-T217 PolarHBondContact O-OG1 2.9Å; F214-T217 PolarHBondContact O-N 3.06Å; T217-M220 PolarHBondContact O-N 3.32Å; T217-F221 WeakPolarHBondContact O-CB 3.35Å; T217-F221 PolarHBondContact O-N 3.42Å; T217-I307 HydrophobicContact CG2-CD1 4.39Å
218D98.6Very high96.4Very high3 Ų343.4 Ų43.42%0.01620%0.196CC..Hα-helixtrans-62.1-43.1174.5-175.553.1000112F214 K215 F221 R222 I307 G308 K313F214-D218 WeakPolarHBondContact O-CB 3.25Å; F214-D218 PolarHBondContact O-N 3.32Å; K215-D218 PolarHBondContact O-N 3.21Å; D218-F221 PolarHBondContact O-N 3.05Å; D218-R222 PolarHBondContact O-N 3.31Å; D218-I307 WeakPolarHBondContact OD1-CA 3.31Å; D218-G308 PolarHBondContact OD1-N 2.96Å; D218-K313 IonicContact OD1-NZ 3.55Å; D218-K313 PolarHBondContact OD1-NZ 3.45Å; D218-K313 VanDerWaalsContact OD2-CE 3.25Å; D218-K313 WeakPolarHBondContact OD2-CE 3.24Å; D218-K313 IonicContact OD2-NZ 3.57Å; D218-K313 PolarHBondContact OD2-NZ 3.24Å
219N96.9Very high96.1Very high59 Ų5948.9 Ų48.932%0.31621%0.212SC..Hα-helixtrans-64-42.9174.5-73-23.6000112.3K215 K216 F221 R222 H223K215-N219 VanDerWaalsContact O-CG 3.3Å; K215-N219 PolarHBondContact O-N 2.98Å; K215-N219 PolarHBondContact O-ND2 3.25Å; K216-N219 PolarHBondContact O-N 3.24Å; N219-F221 VanDerWaalsContact C-N 3.33Å; N219-F221 PolarHBondContact O-N 3.23Å; N219-R222 VanDerWaalsContact O-CB 3.3Å; N219-R222 WeakPolarHBondContact O-CB 3.43Å; N219-R222 PolarHBondContact O-N 3.48Å; N219-H223 PolarHBondContact O-CE1 3.11Å; N219-H223 PolarHBondContact O-N 3.09Å; N219-H223 PolarHBondContact O-ND1 3.21Å
220M96.7Very high95.9Very high9 Ų950.4 Ų50.44%0.04422%0.22CC..Hα-helixtrans-60.9-44.1175-71.2169.755.300110.8E39 E40 Y187 H191 K216 T217 R222 H223 K224E39-M220 HydrophobicContact CB-CE 3.8Å; E39-M220 HydrophobicContact CB-CG 4.42Å; E39-M220 HydrophobicContact CB-SD 4.28Å; E39-M220 WeakPolarHBondContact O-CE 3.42Å; E40-M220 HydrophobicContact CG-CE 4.48Å; Y187-M220 HydrophobicContact CE1-CB 3.91Å; Y187-M220 VanDerWaalsContact OH-C 3.31Å; Y187-M220 VanDerWaalsContact OH-CB 3.31Å; Y187-M220 WeakPolarHBondContact OH-CB 3.42Å; Y187-M220 PolarHBondContact OH-O 3.4Å; H191-M220 HydrophobicContact CB-CE 4.44Å; K216-M220 HydrophobicContact CD-CG 4.26Å; K216-M220 HydrophobicContact CD-SD 4.41Å; K216-M220 HydrophobicContact CG-CG 4.49Å; K216-M220 HydrophobicContact CG-SD 4.1Å; K216-M220 WeakPolarHBondContact O-CB 3.15Å; K216-M220 VanDerWaalsContact O-CG 3.24Å; K216-M220 WeakPolarHBondContact O-CG 3.33Å; K216-M220 PolarHBondContact O-N 2.88Å; T217-M220 PolarHBondContact O-N 3.32Å; M220-R222 VanDerWaalsContact C-N 3.28Å; M220-R222 PolarHBondContact O-N 2.89Å; M220-H223 PolarHBondContact O-N 2.86Å; M220-K224 PolarHBondContact O-N 2.95Å
221F97.6Very high95.8Very high0 Ų058.7 Ų58.70%025%0.251CS..Hα-helixtrans-63.9-33.1176.9-171.6-125.3000112.3D183 A184 Y187 T217 D218 N219 H223 K224 A225 L230 I307 F310D183-F221 HydrophobicContact CB-CZ 4.43Å; A184-F221 VanDerWaalsContact CA-CZ 3.43Å; A184-F221 HydrophobicContact CB-CD1 4.28Å; A184-F221 HydrophobicContact CB-CE1 3.49Å; A184-F221 VanDerWaalsContact CB-CE1 3.49Å; A184-F221 HydrophobicContact CB-CZ 3.67Å; Y187-F221 HydrophobicContact CD1-CB 3.5Å; Y187-F221 VanDerWaalsContact CD1-CB 3.5Å; Y187-F221 AromaticContact CD1-CD2 3.67Å; Y187-F221 HydrophobicContact CD1-CD2 3.67Å; Y187-F221 AromaticContact CD1-CG 3.9Å; Y187-F221 HydrophobicContact CD1-CG 3.9Å; Y187-F221 AromaticContact CD2-CD2 3.78Å; Y187-F221 HydrophobicContact CD2-CD2 3.78Å; Y187-F221 HydrophobicContact CD2-CE2 4.42Å; Y187-F221 HydrophobicContact CE1-CB 3.62Å; Y187-F221 HydrophobicContact CE1-CD2 4.25Å; Y187-F221 HydrophobicContact CE1-CG 4.39Å; Y187-F221 VanDerWaalsContact CE1-N 3.33Å; Y187-F221 HydrophobicContact CE2-CD2 4.35Å; Y187-F221 HydrophobicContact CG-CB 4.15Å; Y187-F221 AromaticContact CG-CD2 3.37Å; Y187-F221 HydrophobicContact CG-CD2 3.37Å; Y187-F221 HydrophobicContact CG-CE2 4.12Å; Y187-F221 HydrophobicContact CG-CG 4.07Å; T217-F221 WeakPolarHBondContact O-CB 3.35Å; T217-F221 PolarHBondContact O-N 3.42Å; D218-F221 PolarHBondContact O-N 3.05Å; N219-F221 VanDerWaalsContact C-N 3.33Å; N219-F221 PolarHBondContact O-N 3.23Å; F221-H223 VanDerWaalsContact C-N 3.29Å; F221-H223 PolarHBondContact O-N 3.1Å; F221-K224 HydrophobicContact CD2-CB 4.45Å; F221-K224 PolarHBondContact O-N 3.36Å; F221-A225 HydrophobicContact CE1-CB 4.46Å; F221-A225 HydrophobicContact CZ-CB 4.45Å; F221-A225 WeakPolarHBondContact O-CB 3.34Å; F221-A225 PolarHBondContact O-N 3.03Å; F221-L230 HydrophobicContact CE2-CD1 3.97Å; F221-L230 HydrophobicContact CZ-CB 4.49Å; F221-L230 HydrophobicContact CZ-CD1 4.31Å; F221-I307 HydrophobicContact CB-CG2 4.35Å; F221-I307 HydrophobicContact CD1-CG2 4.05Å; F221-I307 HydrophobicContact CG-CG2 4.44Å; F221-F310 HydrophobicContact CB-CZ 4.27Å; F221-F310 AromaticContact CD1-CE2 3.59Å; F221-F310 HydrophobicContact CD1-CE2 3.59Å; F221-F310 AromaticContact CD1-CZ 3.71Å; F221-F310 HydrophobicContact CD1-CZ 3.71Å; F221-F310 AromaticContact CE1-CE2 3.95Å; F221-F310 HydrophobicContact CE1-CE2 3.95Å; F221-F310 HydrophobicContact CE1-CZ 4.48Å; F221-F310 HydrophobicContact CG-CE2 4.35Å; F221-F310 HydrophobicContact CG-CZ 4.33Å
222R95.6Very high95.7Very high148 Ų14854.8 Ų54.856%0.55823%0.234SC*.Hα-helixtrans-56.7-44174.4-168.5178.4177.9-173.1-2.5112.1D218 N219 M220 A225 K226 F310D218-R222 PolarHBondContact O-N 3.31Å; N219-R222 VanDerWaalsContact O-CB 3.3Å; N219-R222 WeakPolarHBondContact O-CB 3.43Å; N219-R222 PolarHBondContact O-N 3.48Å; M220-R222 VanDerWaalsContact C-N 3.28Å; M220-R222 PolarHBondContact O-N 2.89Å; R222-A225 PolarHBondContact O-N 3.34Å; R222-K226 WeakPolarHBondContact O-CB 3.1Å; R222-K226 PolarHBondContact O-N 2.9Å; R222-F310 VanDerWaalsContact CA-CE2 3.49Å; R222-F310 HydrophobicContact CB-CD1 3.98Å; R222-F310 HydrophobicContact CB-CE1 3.38Å; R222-F310 HydrophobicContact CB-CE2 4.19Å; R222-F310 HydrophobicContact CB-CZ 3.52Å; R222-F310 HydrophobicContact CG-CD1 3.69Å; R222-F310 HydrophobicContact CG-CE1 3.66Å; R222-F310 HydrophobicContact CG-CG 4.18Å; R222-F310 HydrophobicContact CG-CZ 4.1Å
223H92.8Very high95.7Very high62 Ų6252.1 Ų52.129%0.28722%0.218SC..Hα-helixtrans-65.3-45.3177.9-61.5110.9000111.4E96 N219 M220 F221 R227E96-H223 IonicContact OE2-NE2 3.68Å; N219-H223 PolarHBondContact O-CE1 3.11Å; N219-H223 PolarHBondContact O-N 3.09Å; N219-H223 PolarHBondContact O-ND1 3.21Å; M220-H223 PolarHBondContact O-N 2.86Å; F221-H223 VanDerWaalsContact C-N 3.29Å; F221-H223 PolarHBondContact O-N 3.1Å; H223-R227 WeakPolarHBondContact O-CB 3.42Å; H223-R227 PolarHBondContact O-N 3.1Å
224K93.6Very high95.7Very high16 Ų1652.1 Ų52.17%0.0722%0.218CC..Hα-helixtrans-61.7-47.7175-177.8170.7176.572.70112S33 E40 Y187 M220 F221 K226 R227 E228 L230S33-K224 PolarHBondContact OG-NZ 3.49Å; E40-K224 WeakPolarHBondContact OE1-CB 3.46Å; Y187-K224 HydrophobicContact CD2-CD 3.45Å; Y187-K224 VanDerWaalsContact CD2-CD 3.45Å; Y187-K224 HydrophobicContact CE2-CB 4.13Å; Y187-K224 HydrophobicContact CE2-CD 3.31Å; Y187-K224 HydrophobicContact CE2-CG 4.35Å; M220-K224 PolarHBondContact O-N 2.95Å; F221-K224 HydrophobicContact CD2-CB 4.45Å; F221-K224 PolarHBondContact O-N 3.36Å; K224-K226 VanDerWaalsContact C-N 3.35Å; K224-K226 PolarHBondContact O-N 3.17Å; K224-R227 WeakPolarHBondContact O-CB 3.42Å; K224-R227 PolarHBondContact O-N 3.49Å; K224-R227 VanDerWaalsContact O-N 3.16Å; K224-E228 WeakPolarHBondContact CE-OE2 3.46Å; K224-E228 IonicContact NZ-OE1 3.21Å; K224-E228 PolarHBondContact NZ-OE1 2.91Å; K224-E228 IonicContact NZ-OE2 2.81Å; K224-E228 PolarHBondContact NZ-OE2 3.46Å; K224-E228 WeakPolarHBondContact O-CB 3.48Å; K224-E228 PolarHBondContact O-N 3.34Å; K224-L230 HydrophobicContact CG-CD1 4.16Å
225A94.1Very high95.7Very high3 Ų352.2 Ų52.23%0.02522%0.219CC..Hα-helixtrans-62.1-40.7-179.100000112F221 R222 R229 L230 F310F221-A225 HydrophobicContact CE1-CB 4.46Å; F221-A225 HydrophobicContact CZ-CB 4.45Å; F221-A225 WeakPolarHBondContact O-CB 3.34Å; F221-A225 PolarHBondContact O-N 3.03Å; R222-A225 PolarHBondContact O-N 3.34Å; A225-R229 CarbonylContact O-C 3.49Å; A225-R229 WeakPolarHBondContact O-CA 3.38Å; A225-R229 PolarHBondContact O-N 3.42Å; A225-L230 HydrophobicContact CB-CB 3.97Å; A225-L230 PolarHBondContact O-N 3.03Å; A225-F310 HydrophobicContact CB-CD2 3.77Å; A225-F310 HydrophobicContact CB-CE2 3.5Å; A225-F310 VanDerWaalsContact CB-CE2 3.5Å
226K91.2Very high95.7Very high118 Ų11848.6 Ų48.651%0.51320%0.203SC..Hα-helixtrans-62.1-47.5172.6-173179.2-179.7-177.70111.3R222 K224 E228R222-K226 WeakPolarHBondContact O-CB 3.1Å; R222-K226 PolarHBondContact O-N 2.9Å; K224-K226 VanDerWaalsContact C-N 3.35Å; K224-K226 PolarHBondContact O-N 3.17Å; K226-E228 VanDerWaalsContact C-N 3.35Å; K226-E228 PolarHBondContact O-N 2.89Å
227R89.5Confident95.7Very high43 Ų4345.1 Ų45.116%0.16219%0.188CC..Hα-helixtrans-62.4-39.3-179.3178.9-179.763.5-126.48.9112.7E40 H223 K224E40-R227 IonicContact OE1-NH2 2.87Å; E40-R227 PolarHBondContact OE1-NH2 3.22Å; E40-R227 IonicContact OE2-CZ 3.24Å; E40-R227 IonicContact OE2-NH1 3.2Å; E40-R227 IonicContact OE2-NH2 3.88Å; E40-R227 PolarHBondContact OE2-NH2 3.29Å; H223-R227 WeakPolarHBondContact O-CB 3.42Å; H223-R227 PolarHBondContact O-N 3.1Å; K224-R227 WeakPolarHBondContact O-CB 3.42Å; K224-R227 PolarHBondContact O-N 3.49Å; K224-R227 VanDerWaalsContact O-N 3.16Å
228E91Very high95.8Very high72 Ų7245.1 Ų45.134%0.33619%0.188SC..Hα-helixtrans-107.63.5-171.8-66.8172.6-145.900113.1K224 K226 L230K224-E228 WeakPolarHBondContact CE-OE2 3.46Å; K224-E228 IonicContact NZ-OE1 3.21Å; K224-E228 PolarHBondContact NZ-OE1 2.91Å; K224-E228 IonicContact NZ-OE2 2.81Å; K224-E228 PolarHBondContact NZ-OE2 3.46Å; K224-E228 WeakPolarHBondContact O-CB 3.48Å; K224-E228 PolarHBondContact O-N 3.34Å; K226-E228 VanDerWaalsContact C-N 3.35Å; K226-E228 PolarHBondContact O-N 2.89Å; E228-L230 VanDerWaalsContact C-N 3.3Å; E228-L230 HydrophobicContact CB-CD1 4.13Å; E228-L230 HydrophobicContact CB-CD2 4.14Å; E228-L230 HydrophobicContact CB-CG 3.84Å; E228-L230 PolarHBondContact O-N 3.49Å
229R92.5Very high95.8Very high205 Ų20545 Ų4577%0.77419%0.187SC*.THydrogen-bonded Turntrans56.440.2-178.7-55.1179.5-179.6-179-0.6113.2A225A225-R229 CarbonylContact O-C 3.49Å; A225-R229 WeakPolarHBondContact O-CA 3.38Å; A225-R229 PolarHBondContact O-N 3.42Å
230L95.1Very high95.8Very high32 Ų3242.1 Ų42.117%0.16817%0.172CC..  trans-82.4147.2177.7-48.2173.9000110.1D183 F221 K224 A225 E228D183-L230 HydrophobicContact CB-CD1 3.9Å; D183-L230 HydrophobicContact CB-CD2 4.4Å; F221-L230 HydrophobicContact CE2-CD1 3.97Å; F221-L230 HydrophobicContact CZ-CB 4.49Å; F221-L230 HydrophobicContact CZ-CD1 4.31Å; K224-L230 HydrophobicContact CG-CD1 4.16Å; A225-L230 HydrophobicContact CB-CB 3.97Å; A225-L230 PolarHBondContact O-N 3.03Å; E228-L230 VanDerWaalsContact C-N 3.3Å; E228-L230 HydrophobicContact CB-CD1 4.13Å; E228-L230 HydrophobicContact CB-CD2 4.14Å; E228-L230 HydrophobicContact CB-CG 3.84Å; E228-L230 PolarHBondContact O-N 3.49Å
231R96Very high95.9Very high174 Ų17441.9 Ų41.966%0.65717%0.171SC*.  trans-133.44.4-179.5-63.6-172.7178.1-121.21.7113.6D311R231-D311 IonicContact CZ-OD2 3.54Å; R231-D311 IonicContact NE-OD2 3.92Å; R231-D311 IonicContact NH1-OD1 3.7Å; R231-D311 IonicContact NH1-OD2 2.66Å; R231-D311 PolarHBondContact NH1-OD2 2.84Å
232S97.6Very high95.6Very high1 Ų142.5 Ų42.51%0.00717%0.174CC..  trans-67.6154.9177.944.10000111.1H179 G181 D183 A184 D309H179-S232 WeakPolarHBondContact O-CA 3.47Å; H179-S232 WeakPolarHBondContact O-CB 3.37Å; G181-S232 WeakPolarHBondContact O-CB 3.37Å; D183-S232 WeakPolarHBondContact CB-OG 3.2Å; A184-S232 PolarHBondContact N-OG 3.33Å; S232-D309 PolarHBondContact O-N 3.17Å
233G98.4Very high95.3Very high0 Ų038 Ų380%017%0.173CC..EExtended strand (participates in β ladder)trans-125.3168.3168.500000110.1H179 A184 I307 D309H179-G233 PolarHBondContact N-O 2.72Å; H179-G233 WeakPolarHBondContact NE2-CA 3.48Å; H179-G233 PolarHBondContact O-N 2.98Å; A184-G233 VanDerWaalsContact CB-C 3.41Å; G233-I307 CarbonylContact C-O 3.48Å; G233-I307 WeakPolarHBondContact CA-O 3.28Å; G233-D309 WeakPolarHBondContact CA-OD1 3.4Å
234S98.8Very high95.3Very high0 Ų041.6 Ų41.60%019%0.19CC..EExtended strand (participates in β ladder)trans-151.2137.8175.1-169.20000111.2D177 A185 A306 I307D177-S234 CarbonylContact O-C 3.19Å; D177-S234 WeakPolarHBondContact O-CA 3.37Å; D177-S234 WeakPolarHBondContact O-CB 3.38Å; D177-S234 PolarHBondContact O-OG 2.87Å; A185-S234 WeakPolarHBondContact CA-OG 3.26Å; A185-S234 WeakPolarHBondContact CB-OG 3.42Å; S234-A306 WeakPolarHBondContact O-CA 3.16Å; S234-A306 WeakPolarHBondContact O-CB 3.4Å; S234-I307 PolarHBondContact N-O 3.22Å; S234-I307 PolarHBondContact O-N 2.9Å
235T98.7Very high95.5Very high2 Ų244.1 Ų44.11%0.01220%0.202CC..  trans-68.8167.1160.5790000109.1F176 D177 L251 D253 S254 V303F176-T235 WeakPolarHBondContact CA-O 3.27Å; D177-T235 HydrophobicContact CB-CG2 4.31Å; D177-T235 WeakPolarHBondContact CB-OG1 3.45Å; D177-T235 PolarHBondContact N-OG1 3.45Å; D177-T235 PolarHBondContact O-N 3.4Å; T235-L251 CarbonylContact C-O 3.58Å; T235-L251 WeakPolarHBondContact CA-O 3.41Å; T235-L251 WeakPolarHBondContact CB-O 3.24Å; T235-D253 WeakPolarHBondContact CG2-OD1 3.43Å; T235-S254 PolarHBondContact OG1-OG 3.45Å; T235-V303 HydrophobicContact CG2-CG1 4.06Å
236G98.4Very high95.6Very high0 Ų044 Ų440%020%0.201CC..EExtended strand (participates in β ladder)trans-159.9127.3172.300000109.9V175 W250 L251V175-G236 WeakPolarHBondContact O-CA 3.44Å; G236-W250 CarbonylContact O-C 3.52Å; G236-W250 WeakPolarHBondContact O-CA 3.45Å; G236-L251 PolarHBondContact N-O 2.84Å; G236-L251 PolarHBondContact O-N 2.99Å
237V98.9Very high96Very high0 Ų038.4 Ų38.40%018%0.177CC..EExtended strand (participates in β ladder)trans-119.8127.1166.960.90000107.9A174 V175 V248 W250 A256 M268 L336A174-V237 CarbonylContact C-O 3.55Å; A174-V237 WeakPolarHBondContact CA-O 3.42Å; A174-V237 WeakPolarHBondContact CB-O 3.21Å; V175-V237 HydrophobicContact CB-CG1 4.08Å; V175-V237 PolarHBondContact N-O 2.92Å; V175-V237 PolarHBondContact O-N 3.36Å; V237-V248 HydrophobicContact CG2-CG2 3.89Å; V237-W250 HydrophobicContact CB-CB 4.21Å; V237-W250 HydrophobicContact CG2-CB 4.16Å; V237-A256 HydrophobicContact CG2-CB 3.65Å; V237-M268 HydrophobicContact CG2-SD 3.8Å; V237-L336 HydrophobicContact CG1-CB 4.39Å; V237-L336 HydrophobicContact CG1-CD2 4.27Å
238A98.9Very high96.4Very high0 Ų036.4 Ų36.40%017%0.169CC..EExtended strand (participates in β ladder)trans-130.6140.5-17800000110.6Y172 Y173 A174 L192 F210 F214 V248 A249Y172-A238 HydrophobicContact CE2-CB 3.88Å; Y173-A238 CarbonylContact O-C 3.45Å; Y173-A238 VanDerWaalsContact O-CA 3.27Å; Y173-A238 WeakPolarHBondContact O-CA 3.37Å; A174-A238 HydrophobicContact CB-CB 3.94Å; L192-A238 HydrophobicContact CD2-CB 4.28Å; F210-A238 HydrophobicContact CE1-CB 3.75Å; F210-A238 HydrophobicContact CZ-CB 4.3Å; F214-A238 HydrophobicContact CE2-CB 4.34Å; F214-A238 HydrophobicContact CZ-CB 4.23Å; A238-V248 CarbonylContact O-C 3.45Å; A238-V248 VanDerWaalsContact O-CA 3.28Å; A238-V248 WeakPolarHBondContact O-CA 3.45Å; A238-A249 PolarHBondContact N-O 2.61Å; A238-A249 PolarHBondContact O-N 2.83Å
239V98.7Very high96.8Very high0 Ų033 Ų330%015%0.153CC..EExtended strand (participates in β ladder)trans-122.3129.2177.5171.40000108.7Y172 Y173 I241 L246 T247 V248 A256 V334 L336Y172-V239 WeakPolarHBondContact CA-O 3.27Å; Y173-V239 PolarHBondContact N-O 3.37Å; Y173-V239 PolarHBondContact O-N 3.3Å; V239-I241 HydrophobicContact CG1-CG1 4.15Å; V239-L246 HydrophobicContact CG1-CD1 4.1Å; V239-L246 HydrophobicContact CG1-CD2 3.94Å; V239-L246 HydrophobicContact CG1-CG 3.75Å; V239-T247 CarbonylContact C-O 3.6Å; V239-T247 WeakPolarHBondContact CA-O 3.32Å; V239-V248 HydrophobicContact CG2-CB 4.18Å; V239-V248 HydrophobicContact CG2-CG2 4.12Å; V239-A256 HydrophobicContact CG2-CB 4.12Å; V239-V334 HydrophobicContact CG1-CG1 4.48Å; V239-V334 HydrophobicContact CG2-CG2 4.24Å; V239-L336 HydrophobicContact CB-CD2 4.3Å; V239-L336 HydrophobicContact CG2-CD1 4.24Å; V239-L336 HydrophobicContact CG2-CD2 3.87Å; V239-L336 HydrophobicContact CG2-CG 4.18Å
240L98.6Very high97.1Very high0 Ų023.9 Ų23.90%012%0.119CC..EExtended strand (participates in β ladder)trans-112.4116.8165.7-167.177.8000108.7F158 R170 A171 Y172 L196 L202 T206 F210 H242 T247F158-L240 HydrophobicContact CD2-CD1 4.34Å; F158-L240 HydrophobicContact CE2-CD1 4.37Å; F158-L240 HydrophobicContact CG-CD1 4.45Å; R170-L240 HydrophobicContact CB-CD1 4.22Å; A171-L240 WeakPolarHBondContact O-CA 3.38Å; Y172-L240 HydrophobicContact CD2-CD1 4.26Å; L196-L240 HydrophobicContact CD2-CD1 4.31Å; L196-L240 HydrophobicContact CD2-CD2 4.49Å; L202-L240 HydrophobicContact CD1-CD2 3.86Å; T206-L240 HydrophobicContact CG2-CB 4.49Å; T206-L240 HydrophobicContact CG2-CD2 3.56Å; F210-L240 HydrophobicContact CE2-CB 3.5Å; F210-L240 VanDerWaalsContact CE2-CB 3.5Å; F210-L240 HydrophobicContact CZ-CB 3.62Å; L240-H242 HydrophobicContact CD2-CB 4.3Å; L240-H242 HydrophobicContact CG-CB 4.44Å; L240-T247 PolarHBondContact N-O 3.07Å; L240-T247 PolarHBondContact O-N 2.88Å
241I97.2Very high97.2Very high3 Ų322.3 Ų22.32%0.01511%0.111CC..EExtended strand (participates in β ladder)trans-89.8121.3166.5-55166.8000106.3F134 R170 A171 Y173 V239 Q245 L246 L327 V405 L407F134-I241 HydrophobicContact CD2-CD1 4.11Å; F134-I241 HydrophobicContact CE1-CD1 4.4Å; F134-I241 HydrophobicContact CE2-CB 4.14Å; F134-I241 HydrophobicContact CE2-CD1 3.99Å; F134-I241 HydrophobicContact CE2-CG2 3.81Å; F134-I241 HydrophobicContact CG-CD1 4.37Å; F134-I241 HydrophobicContact CZ-CB 4.37Å; F134-I241 HydrophobicContact CZ-CD1 4.15Å; F134-I241 HydrophobicContact CZ-CG2 3.59Å; R170-I241 CarbonylContact C-O 3.57Å; R170-I241 VanDerWaalsContact CA-O 3.23Å; R170-I241 WeakPolarHBondContact CA-O 3.34Å; A171-I241 PolarHBondContact N-O 3.13Å; A171-I241 PolarHBondContact O-N 3.34Å; Y173-I241 HydrophobicContact CD2-CD1 4.44Å; Y173-I241 HydrophobicContact CE2-CD1 3.97Å; V239-I241 HydrophobicContact CG1-CG1 4.15Å; I241-Q245 WeakPolarHBondContact CA-O 3.28Å; I241-L246 HydrophobicContact CG1-CD1 4.37Å; I241-L246 HydrophobicContact CG1-CG 4.42Å; I241-L327 HydrophobicContact CG2-CD1 4Å; I241-V405 HydrophobicContact CD1-CG1 4.13Å; I241-L407 HydrophobicContact CD1-CD2 3.49Å; I241-L407 VanDerWaalsContact CD1-CD2 3.49Å; I241-L407 HydrophobicContact CG1-CD2 4.44Å
242H92.9Very high97.3Very high14 Ų1414 Ų147%0.0658%0.08CC..EExtended strand (participates in β ladder)trans-141.2118.2-178.670.7114.6000110.8V168 E169 R170 T206 L240 Q244 Q245V168-H242 HydrophobicContact CG1-CB 4.23Å; E169-H242 WeakPolarHBondContact O-CA 3.25Å; R170-H242 HydrophobicContact CG-CB 3.77Å; T206-H242 PolarHBondContact OG1-CE1 3.39Å; T206-H242 PolarHBondContact OG1-NE2 3.21Å; L240-H242 HydrophobicContact CD2-CB 4.3Å; L240-H242 HydrophobicContact CG-CB 4.44Å; H242-Q244 PolarHBondContact O-N 3.16Å; H242-Q244 VanDerWaalsContact O-N 3.1Å; H242-Q245 PolarHBondContact CE1-OE1 3.4Å; H242-Q245 PolarHBondContact N-O 3.27Å; H242-Q245 VanDerWaalsContact NE2-CB 3.34Å; H242-Q245 WeakPolarHBondContact NE2-CB 3.31Å; H242-Q245 PolarHBondContact NE2-OE1 3.03Å; H242-Q245 PolarHBondContact O-N 2.84Å
243G89.5Confident97.3Very high53 Ų5314.6 Ų14.655%0.5468%0.082SC..THydrogen-bonded Turntrans53.6-116.1-170.300000112.3E169E169-G243 PolarHBondContact O-N 3.2Å; E169-G243 VanDerWaalsContact O-N 3.17Å
244Q92.6Very high97.3Very high138 Ų13814.6 Ų14.665%0.6458%0.082SC*.THydrogen-bonded Turntrans-105.624.6177.6-68.3173.38900112.3H242 Q326 L327H242-Q244 PolarHBondContact O-N 3.16Å; H242-Q244 VanDerWaalsContact O-N 3.1Å; Q244-Q326 VanDerWaalsContact CB-NE2 3.3Å; Q244-Q326 VanDerWaalsContact O-CD 3.25Å; Q244-Q326 PolarHBondContact O-NE2 3.26Å; Q244-L327 WeakPolarHBondContact O-CB 3.43Å; Q244-L327 PolarHBondContact O-N 2.84Å
245Q96.2Very high97.3Very high68 Ų6816.2 Ų16.232%0.3189%0.09SC..EExtended strand (participates in β ladder)trans-124.1144.7179.7-73.6-178.28.300111I241 H242 T324 I325I241-Q245 WeakPolarHBondContact CA-O 3.28Å; H242-Q245 PolarHBondContact CE1-OE1 3.4Å; H242-Q245 PolarHBondContact N-O 3.27Å; H242-Q245 VanDerWaalsContact NE2-CB 3.34Å; H242-Q245 WeakPolarHBondContact NE2-CB 3.31Å; H242-Q245 PolarHBondContact NE2-OE1 3.03Å; H242-Q245 PolarHBondContact O-N 2.84Å; Q245-T324 HydrophobicContact CB-CG2 4.25Å; Q245-T324 HydrophobicContact CG-CG2 4.35Å; Q245-I325 WeakPolarHBondContact CA-O 3.43Å
246L97.9Very high97.3Very high1 Ų116.3 Ų16.31%0.0059%0.091CC..EExtended strand (participates in β ladder)trans-117.6119.3168.1-176158.9000107.4V239 I241 L267 T324 I325 L327 V334 L407V239-L246 HydrophobicContact CG1-CD1 4.1Å; V239-L246 HydrophobicContact CG1-CD2 3.94Å; V239-L246 HydrophobicContact CG1-CG 3.75Å; I241-L246 HydrophobicContact CG1-CD1 4.37Å; I241-L246 HydrophobicContact CG1-CG 4.42Å; L246-L267 HydrophobicContact CD2-CD1 4.09Å; L246-T324 WeakPolarHBondContact O-CA 3.11Å; L246-I325 HydrophobicContact CB-CD1 4.28Å; L246-I325 HydrophobicContact CB-CG1 3.88Å; L246-I325 HydrophobicContact CD2-CD1 4.44Å; L246-I325 HydrophobicContact CD2-CG1 4.26Å; L246-I325 PolarHBondContact N-O 3.05Å; L246-I325 PolarHBondContact O-N 2.92Å; L246-L327 HydrophobicContact CB-CD1 4.24Å; L246-L327 HydrophobicContact CB-CD2 3.91Å; L246-L327 HydrophobicContact CB-CG 4.15Å; L246-L327 HydrophobicContact CD1-CD2 4.41Å; L246-V334 HydrophobicContact CD1-CB 4.11Å; L246-V334 HydrophobicContact CD1-CG1 4.21Å; L246-V334 HydrophobicContact CD1-CG2 4.32Å; L246-L407 HydrophobicContact CD1-CD1 4.41Å
247T98.7Very high97.2Very high0 Ų016.8 Ų16.80%09%0.093CC..EExtended strand (participates in β ladder)trans-111.5125.1174.4-57.80000109.1T206 F210 V239 L240 S323 T324T206-T247 HydrophobicContact CG2-CG2 4.04Å; F210-T247 HydrophobicContact CD2-CG2 3.63Å; F210-T247 HydrophobicContact CE2-CG2 3.9Å; V239-T247 CarbonylContact C-O 3.6Å; V239-T247 WeakPolarHBondContact CA-O 3.32Å; L240-T247 PolarHBondContact N-O 3.07Å; L240-T247 PolarHBondContact O-N 2.88Å; T247-S323 CarbonylContact C-O 3.53Å; T247-S323 WeakPolarHBondContact CA-O 3.37Å; T247-T324 WeakPolarHBondContact CG2-OG1 3.37Å; T247-T324 WeakPolarHBondContact OG1-CG2 3.47Å; T247-T324 PolarHBondContact OG1-OG1 3.37Å
248V98.8Very high97.2Very high1 Ų116.8 Ų16.81%0.0069%0.093CC..EExtended strand (participates in β ladder)trans-103.8145.517061.20000109.4V237 A238 V239 W250 A256 L267 M268 S322 S323V237-V248 HydrophobicContact CG2-CG2 3.89Å; A238-V248 CarbonylContact O-C 3.45Å; A238-V248 VanDerWaalsContact O-CA 3.28Å; A238-V248 WeakPolarHBondContact O-CA 3.45Å; V239-V248 HydrophobicContact CG2-CB 4.18Å; V239-V248 HydrophobicContact CG2-CG2 4.12Å; V248-W250 HydrophobicContact CG1-CE3 4.37Å; V248-W250 HydrophobicContact CG1-CZ3 4.19Å; V248-W250 HydrophobicContact CG2-CE3 4.27Å; V248-A256 HydrophobicContact CG2-CB 3.94Å; V248-L267 HydrophobicContact CG1-CB 3.97Å; V248-M268 HydrophobicContact CG2-SD 4.28Å; V248-S322 CarbonylContact O-C 3.36Å; V248-S322 WeakPolarHBondContact O-CA 3.34Å; V248-S322 WeakPolarHBondContact O-CB 3.46Å; V248-S322 PolarHBondContact O-OG 2.98Å; V248-S323 WeakPolarHBondContact CG1-OG 3.11Å; V248-S323 PolarHBondContact N-O 2.99Å; V248-S323 PolarHBondContact O-N 2.85Å
249A98.8Very high97.1Very high0 Ų016.8 Ų16.80%09%0.093CC..EExtended strand (participates in β ladder)trans-140.9143.1168.100000110.2F210 F214 A238 D321F210-A249 HydrophobicContact CB-CB 3.48Å; F210-A249 VanDerWaalsContact CB-CB 3.48Å; F210-A249 HydrophobicContact CD1-CB 3.68Å; F210-A249 HydrophobicContact CD2-CB 4.08Å; F210-A249 HydrophobicContact CE1-CB 4.35Å; F210-A249 HydrophobicContact CG-CB 3.51Å; F214-A249 HydrophobicContact CD2-CB 4.1Å; F214-A249 HydrophobicContact CE2-CB 3.63Å; A238-A249 PolarHBondContact N-O 2.61Å; A238-A249 PolarHBondContact O-N 2.83Å; A249-D321 CarbonylContact C-O 3.54Å; A249-D321 WeakPolarHBondContact CA-O 3.4Å; A249-D321 WeakPolarHBondContact CB-O 3.43Å
250W98.8Very high97Very high14 Ų1420 Ų205%0.05311%0.106CC..EExtended strand (participates in β ladder)trans-149.1156.1-172.872.2104.1000115.3G236 V237 V248 M268 D269 H271 A320 D321G236-W250 CarbonylContact O-C 3.52Å; G236-W250 WeakPolarHBondContact O-CA 3.45Å; V237-W250 HydrophobicContact CB-CB 4.21Å; V237-W250 HydrophobicContact CG2-CB 4.16Å; V248-W250 HydrophobicContact CG1-CE3 4.37Å; V248-W250 HydrophobicContact CG1-CZ3 4.19Å; V248-W250 HydrophobicContact CG2-CE3 4.27Å; W250-M268 HydrophobicContact CB-CE 3.94Å; W250-M268 HydrophobicContact CB-SD 4.14Å; W250-M268 HydrophobicContact CD2-CB 3.72Å; W250-M268 HydrophobicContact CD2-CE 3.82Å; W250-M268 HydrophobicContact CD2-CG 4.5Å; W250-M268 HydrophobicContact CD2-SD 3.99Å; W250-M268 HydrophobicContact CE3-CB 3.62Å; W250-M268 HydrophobicContact CE3-SD 4.27Å; W250-M268 HydrophobicContact CG-CE 3.4Å; W250-M268 VanDerWaalsContact CG-CE 3.4Å; W250-M268 HydrophobicContact CG-SD 3.9Å; W250-M268 HydrophobicContact CH2-CB 3.55Å; W250-M268 HydrophobicContact CZ2-CB 3.62Å; W250-M268 HydrophobicContact CZ3-CB 3.53Å; W250-D269 PolarHBondContact NE1-O 3Å; W250-H271 AromaticContact CD1-CE1 3.31Å; W250-H271 AromaticContact CD1-ND1 3.26Å; W250-H271 VanDerWaalsContact CD1-ND1 3.26Å; W250-H271 AromaticContact CE2-CE1 3.84Å; W250-H271 AromaticContact NE1-CE1 3.13Å; W250-H271 PolarHBondContact NE1-CE1 2.82Å; W250-H271 AromaticContact NE1-ND1 3.39Å; W250-H271 PolarHBondContact NE1-ND1 3.28Å; W250-H271 AromaticContact NE1-NE2 3.69Å; W250-H271 PolarHBondContact O-CE1 2.74Å; W250-H271 VanDerWaalsContact O-CE1 3.31Å; W250-A320 WeakPolarHBondContact O-CA 3.48Å; W250-A320 WeakPolarHBondContact O-CB 3.23Å; W250-D321 HydrophobicContact CD2-CB 4.16Å; W250-D321 HydrophobicContact CE3-CB 4.33Å; W250-D321 HydrophobicContact CH2-CB 3.66Å; W250-D321 HydrophobicContact CZ2-CB 3.46Å; W250-D321 VanDerWaalsContact CZ2-CB 3.46Å; W250-D321 HydrophobicContact CZ3-CB 4.1Å; W250-D321 PolarHBondContact N-O 3.04Å; W250-D321 PolarHBondContact O-N 3.2Å; W250-D321 VanDerWaalsContact O-N 3.11Å
251L97.8Very high96.7Very high0 Ų026.8 Ų26.80%014%0.135CC..EExtended strand (participates in β ladder)trans-134.1134167.9-73170.2000107.7F214 T235 G236 R305 I307 D319 A320F214-L251 HydrophobicContact CB-CD1 4.41Å; F214-L251 HydrophobicContact CD1-CD1 3.45Å; F214-L251 VanDerWaalsContact CD1-CD1 3.45Å; F214-L251 HydrophobicContact CD1-CG 4.04Å; F214-L251 HydrophobicContact CE1-CD1 4Å; F214-L251 HydrophobicContact CE1-CG 4.29Å; F214-L251 HydrophobicContact CG-CD1 4.25Å; T235-L251 CarbonylContact C-O 3.58Å; T235-L251 WeakPolarHBondContact CA-O 3.41Å; T235-L251 WeakPolarHBondContact CB-O 3.24Å; G236-L251 PolarHBondContact N-O 2.84Å; G236-L251 PolarHBondContact O-N 2.99Å; L251-R305 HydrophobicContact CD2-CB 3.66Å; L251-I307 HydrophobicContact CD1-CG1 3.7Å; L251-D319 VanDerWaalsContact CD2-C 3.45Å; L251-D319 WeakPolarHBondContact CD2-O 3.39Å; L251-A320 HydrophobicContact CD2-CB 4.11Å; L251-A320 HydrophobicContact CG-CB 3.94Å
252G98.1Very high96.5Very high0 Ų028.1 Ų28.10%015%0.15CC..SBendtrans80.6-152.8-179.400000113.4H271 R305G252-H271 PolarHBondContact N-ND1 3.29Å; G252-H271 WeakPolarHBondContact O-CB 3.27Å; G252-H271 PolarHBondContact O-N 2.85Å; G252-R305 WeakPolarHBondContact CA-O 3.49Å; G252-R305 PolarHBondContact N-O 3.38Å
253D97.6Very high96.6Very high12 Ų1234.1 Ų34.16%0.06418%0.178CC..SBendtrans-118.22.1-165.657.8-4.2000115.6T235 Q255 P270 K272 V303T235-D253 WeakPolarHBondContact CG2-OD1 3.43Å; D253-Q255 WeakPolarHBondContact O-CG 3.4Å; D253-P270 HydrophobicContact CB-CB 4.22Å; D253-K272 HydrophobicContact CB-CG 4.46Å; D253-V303 HydrophobicContact CB-CG1 4.4Å; D253-V303 WeakPolarHBondContact OD1-CG1 3.46Å; D253-V303 WeakPolarHBondContact OD2-CG1 3.3Å
254S98.4Very high96.9Very high0 Ų034 Ų340%017%0.166CC..  trans-57.3141.1155.5-70.30000109.7T235 M268 A337T235-S254 PolarHBondContact OG1-OG 3.45Å; S254-M268 VanDerWaalsContact O-CE 3.24Å; S254-M268 WeakPolarHBondContact O-CE 3.28Å; S254-A337 WeakPolarHBondContact CA-O 3.36Å
255Q98.3Very high97Very high34 Ų3429.4 Ų29.416%0.15915%0.148CC..EExtended strand (participates in β ladder)trans-127.1153.8-170-35.5-177.18.100112.6D253 M268 P270 L336 A337 F342D253-Q255 WeakPolarHBondContact O-CG 3.4Å; Q255-M268 HydrophobicContact CB-CE 4.26Å; Q255-M268 HydrophobicContact CB-SD 4.41Å; Q255-P270 HydrophobicContact CG-CG 3.83Å; Q255-L336 WeakPolarHBondContact O-CA 3.43Å; Q255-A337 PolarHBondContact N-O 2.67Å; Q255-A337 PolarHBondContact O-N 3.31Å; Q255-F342 HydrophobicContact CB-CD2 3.73Å; Q255-F342 HydrophobicContact CB-CE2 3.53Å; Q255-F342 HydrophobicContact CB-CG 4.45Å; Q255-F342 HydrophobicContact CB-CZ 4.1Å; Q255-F342 HydrophobicContact CG-CD2 3.72Å; Q255-F342 HydrophobicContact CG-CE2 4.08Å; Q255-F342 HydrophobicContact CG-CG 4.18Å
256A98.3Very high96.9Very high5 Ų532 Ų324%0.04117%0.168CC..EExtended strand (participates in β ladder)trans-121.6137.2165.400000109.9V237 V239 V248 L267 M268 L335 L336V237-A256 HydrophobicContact CG2-CB 3.65Å; V239-A256 HydrophobicContact CG2-CB 4.12Å; V248-A256 HydrophobicContact CG2-CB 3.94Å; A256-L267 HydrophobicContact CB-CD1 4.41Å; A256-M268 HydrophobicContact CB-SD 4.23Å; A256-M268 PolarHBondContact N-SD 3.25Å; A256-L335 CarbonylContact C-O 3.56Å; A256-L335 WeakPolarHBondContact CA-O 3.48Å; A256-L336 HydrophobicContact CB-CG 4.09Å
257M96.9Very high96.8Very high9 Ų932.5 Ų32.54%0.04417%0.171CC..EExtended strand (participates in β ladder)trans-130.7140174.862.6175.6-80.500110.5V259 V264 V334 L335 F342 P347 V350M257-V259 HydrophobicContact CE-CG2 3.62Å; M257-V264 HydrophobicContact CE-CB 4.28Å; M257-V264 HydrophobicContact CE-CG1 3.79Å; M257-V264 HydrophobicContact CE-CG2 3.67Å; M257-V334 CarbonylContact O-C 3.03Å; M257-V334 WeakPolarHBondContact O-CA 3.1Å; M257-V334 WeakPolarHBondContact O-CG2 3.49Å; M257-L335 HydrophobicContact CG-CB 3.93Å; M257-L335 HydrophobicContact CG-CD2 4.27Å; M257-L335 PolarHBondContact N-O 2.95Å; M257-L335 PolarHBondContact O-N 3.34Å; M257-F342 HydrophobicContact CG-CZ 4.25Å; M257-F342 HydrophobicContact SD-CE1 3.95Å; M257-F342 HydrophobicContact SD-CZ 4.17Å; M257-P347 HydrophobicContact SD-CB 4.18Å; M257-V350 HydrophobicContact CE-CB 3.73Å; M257-V350 HydrophobicContact CE-CG1 3.75Å; M257-V350 HydrophobicContact CE-CG2 4.25Å; M257-V350 HydrophobicContact SD-CB 3.9Å; M257-V350 HydrophobicContact SD-CG1 3.89Å; M257-V350 HydrophobicContact SD-CG2 3.77Å
258L98.1Very high96.7Very high0 Ų033.3 Ų33.30%018%0.175CC..EExtended strand (participates in β ladder)trans-96.4140.8170.8172.470.9000108.9V265 L267 I325 E331 Y333 L407L258-V265 HydrophobicContact CB-CB 4.13Å; L258-V265 HydrophobicContact CD2-CB 4.17Å; L258-V265 HydrophobicContact CD2-CG1 4.38Å; L258-V265 HydrophobicContact CD2-CG2 4.36Å; L258-V265 HydrophobicContact CG-CB 4.34Å; L258-V265 PolarHBondContact N-O 3.39Å; L258-V265 PolarHBondContact O-N 2.86Å; L258-L267 HydrophobicContact CB-CD1 3.9Å; L258-L267 HydrophobicContact CB-CD2 3.82Å; L258-L267 HydrophobicContact CB-CG 3.95Å; L258-I325 HydrophobicContact CD2-CD1 3.39Å; L258-E331 HydrophobicContact CD1-CB 3.85Å; L258-E331 HydrophobicContact CD1-CG 3.93Å; L258-E331 HydrophobicContact CD2-CG 3.78Å; L258-E331 HydrophobicContact CG-CG 4.37Å; L258-Y333 VanDerWaalsContact CD1-O 3.31Å; L258-Y333 WeakPolarHBondContact CD1-O 3.43Å; L258-L407 HydrophobicContact CD1-CD1 3.67Å
259V97.7Very high96.5Very high0 Ų037.7 Ų37.70%020%0.198CC..EExtended strand (participates in β ladder)trans-111.4129.5165.3-179.80000108.8M257 Q263 D332 Y333 P351M257-V259 HydrophobicContact CE-CG2 3.62Å; V259-Q263 WeakPolarHBondContact CA-O 3.27Å; V259-D332 HydrophobicContact CB-CB 4.43Å; V259-D332 HydrophobicContact CG1-CB 4.28Å; V259-D332 WeakPolarHBondContact O-CB 3.43Å; V259-D332 PolarHBondContact O-N 2.81Å; V259-Y333 HydrophobicContact CB-CD1 4.48Å; V259-Y333 HydrophobicContact CB-CD2 4.12Å; V259-Y333 HydrophobicContact CB-CE1 4.03Å; V259-Y333 HydrophobicContact CB-CE2 3.64Å; V259-Y333 HydrophobicContact CG1-CE1 4.11Å; V259-Y333 HydrophobicContact CG1-CE2 4.42Å; V259-Y333 HydrophobicContact CG2-CD2 4.13Å; V259-Y333 HydrophobicContact CG2-CE1 4.48Å; V259-Y333 HydrophobicContact CG2-CE2 3.34Å; V259-Y333 PolarHBondContact N-O 3.48Å; V259-P351 HydrophobicContact CG1-CG 4.4Å; V259-P351 HydrophobicContact CG2-CG 4.27Å
260R95.6Very high96.5Very high69 Ų6938.5 Ų38.526%0.2620%0.203SC..EExtended strand (participates in β ladder)trans-129.4117.3177.9-178.8-173.9-76.5156.8-1.3108.3G262 Q263 V265 Q326 D330 E331R260-G262 VanDerWaalsContact C-N 3.27Å; R260-G262 PolarHBondContact O-N 2.93Å; R260-Q263 PolarHBondContact N-O 3.11Å; R260-Q263 PolarHBondContact O-N 3.26Å; R260-V265 HydrophobicContact CB-CG2 4.06Å; R260-Q326 PolarHBondContact NH2-O 3.47Å; R260-D330 WeakPolarHBondContact CD-OD1 3.39Å; R260-D330 WeakPolarHBondContact CG-O 3.42Å; R260-D330 IonicContact NE-OD1 3.7Å; R260-D330 PolarHBondContact NE-OD1 2.96Å; R260-E331 IonicContact CZ-OE1 3.23Å; R260-E331 VanDerWaalsContact CZ-OE1 3.27Å; R260-E331 IonicContact NE-OE1 3.47Å; R260-E331 PolarHBondContact NE-OE1 2.92Å; R260-E331 VanDerWaalsContact NE-OE1 3.13Å; R260-E331 IonicContact NH2-OE1 2.61Å; R260-E331 PolarHBondContact NH2-OE1 2.8Å
261K93.3Very high96.4Very high141 Ų14137.8 Ų37.861%0.61320%0.201SC*.THydrogen-bonded Turntrans51.146.9-177.6-63.6171.4166.2140.60112.2Q263 D330 D332K261-Q263 PolarHBondContact O-N 2.98Å; K261-D330 HydrophobicContact CD-CB 4.48Å; K261-D330 WeakPolarHBondContact CE-OD2 3.38Å; K261-D330 HydrophobicContact CG-CB 4.47Å; K261-D330 IonicContact NZ-OD2 2.94Å; K261-D330 PolarHBondContact NZ-OD2 3.47Å; K261-D332 VanDerWaalsContact N-CG 3.33Å; K261-D332 PolarHBondContact N-OD1 3.45Å; K261-D332 PolarHBondContact N-OD2 3.26Å
262G92.3Very high96.3Very high32 Ų3240.8 Ų40.833%0.3321%0.214SC..THydrogen-bonded Turntrans70.43.6-178.800000115.4R260 D332R260-G262 VanDerWaalsContact C-N 3.27Å; R260-G262 PolarHBondContact O-N 2.93Å; G262-D332 PolarHBondContact N-OD2 2.83Å
263Q94.4Very high96.3Very high140 Ų14040.9 Ų40.965%0.65421%0.214SC*.EExtended strand (participates in β ladder)trans-107138.9178.9-62.2-62.1-56.500111.3V259 R260 K261V259-Q263 WeakPolarHBondContact CA-O 3.27Å; R260-Q263 PolarHBondContact N-O 3.11Å; R260-Q263 PolarHBondContact O-N 3.26Å; K261-Q263 PolarHBondContact O-N 2.98Å
264V96.2Very high96.2Very high49 Ų4944 Ų4430%0.29723%0.229SC..EExtended strand (participates in β ladder)trans-74.2131.1177.6-178.60000110.3M257 P347 P351M257-V264 HydrophobicContact CE-CB 4.28Å; M257-V264 HydrophobicContact CE-CG1 3.79Å; M257-V264 HydrophobicContact CE-CG2 3.67Å; V264-P347 HydrophobicContact CG1-CB 4.36Å; V264-P347 VanDerWaalsContact CG2-O 3.31Å; V264-P347 WeakPolarHBondContact CG2-O 3.32Å; V264-P351 HydrophobicContact CG2-CG 3.74Å
265V95.8Very high96.1Very high42 Ų4245.6 Ų45.626%0.25524%0.235SC..EExtended strand (participates in β ladder)trans-114.6116.8173.3-178.60000108.4L258 R260 L267L258-V265 HydrophobicContact CB-CB 4.13Å; L258-V265 HydrophobicContact CD2-CB 4.17Å; L258-V265 HydrophobicContact CD2-CG1 4.38Å; L258-V265 HydrophobicContact CD2-CG2 4.36Å; L258-V265 HydrophobicContact CG-CB 4.34Å; L258-V265 PolarHBondContact N-O 3.39Å; L258-V265 PolarHBondContact O-N 2.86Å; R260-V265 HydrophobicContact CB-CG2 4.06Å; V265-L267 PolarHBondContact O-N 2.97Å
266T92.6Very high96.1Very high122 Ų12250.1 Ų50.175%0.74826%0.256SS*.EExtended strand (participates in β ladder)trans-66.9119.1176.2-54.20000110.1M268T266-M268 WeakPolarHBondContact CG2-O 3.43Å
267L95.8Very high96Very high12 Ų1253.7 Ų53.76%0.06327%0.274CS..  trans-98.2-29.8177-60.4-179.5000112.8L246 V248 A256 L258 V265 S323 I325 V334L246-L267 HydrophobicContact CD2-CD1 4.09Å; V248-L267 HydrophobicContact CG1-CB 3.97Å; A256-L267 HydrophobicContact CB-CD1 4.41Å; L258-L267 HydrophobicContact CB-CD1 3.9Å; L258-L267 HydrophobicContact CB-CD2 3.82Å; L258-L267 HydrophobicContact CB-CG 3.95Å; V265-L267 PolarHBondContact O-N 2.97Å; L267-S323 WeakPolarHBondContact O-CB 3.5Å; L267-S323 PolarHBondContact O-OG 2.72Å; L267-I325 HydrophobicContact CD2-CD1 3.67Å; L267-I325 HydrophobicContact CD2-CG1 4.28Å; L267-I325 HydrophobicContact CD2-CG2 4.17Å; L267-V334 HydrophobicContact CD1-CG2 4.23Å
268M96.3Very high96.1Very high18 Ų1853.3 Ų53.39%0.08927%0.272CS..  trans-151.6163.7-168.757.5169.6-8100111.1V237 V248 W250 S254 Q255 A256 T266V237-M268 HydrophobicContact CG2-SD 3.8Å; V248-M268 HydrophobicContact CG2-SD 4.28Å; W250-M268 HydrophobicContact CB-CE 3.94Å; W250-M268 HydrophobicContact CB-SD 4.14Å; W250-M268 HydrophobicContact CD2-CB 3.72Å; W250-M268 HydrophobicContact CD2-CE 3.82Å; W250-M268 HydrophobicContact CD2-CG 4.5Å; W250-M268 HydrophobicContact CD2-SD 3.99Å; W250-M268 HydrophobicContact CE3-CB 3.62Å; W250-M268 HydrophobicContact CE3-SD 4.27Å; W250-M268 HydrophobicContact CG-CE 3.4Å; W250-M268 VanDerWaalsContact CG-CE 3.4Å; W250-M268 HydrophobicContact CG-SD 3.9Å; W250-M268 HydrophobicContact CH2-CB 3.55Å; W250-M268 HydrophobicContact CZ2-CB 3.62Å; W250-M268 HydrophobicContact CZ3-CB 3.53Å; S254-M268 VanDerWaalsContact O-CE 3.24Å; S254-M268 WeakPolarHBondContact O-CE 3.28Å; Q255-M268 HydrophobicContact CB-CE 4.26Å; Q255-M268 HydrophobicContact CB-SD 4.41Å; A256-M268 HydrophobicContact CB-SD 4.23Å; A256-M268 PolarHBondContact N-SD 3.25Å; T266-M268 WeakPolarHBondContact CG2-O 3.43Å
269D96.3Very high96.1Very high93 Ų9356.5 Ų56.550%0.49729%0.286SS..  trans-120.2119.5171.1-168.710.9000108.8W250 R275W250-D269 PolarHBondContact NE1-O 3Å; D269-R275 PolarHBondContact O-NH1 3.28Å; D269-R275 WeakPolarHBondContact OD2-CD 3.21Å
270P97.2Very high96.1Very high16 Ų1660.6 Ų60.610%0.10431%0.305CS..  trans-52.7145.2-179.2-30.138000113.9D253 Q255 K272 R275D253-P270 HydrophobicContact CB-CB 4.22Å; Q255-P270 HydrophobicContact CG-CG 3.83Å; P270-K272 VanDerWaalsContact C-N 3.32Å; P270-K272 HydrophobicContact CB-CG 4.15Å; P270-K272 PolarHBondContact O-N 2.87Å; P270-R275 PolarHBondContact O-NH1 3.42Å
271H98.1Very high96.2Very high0 Ų060 Ų600%030%0.303CS..  trans-83.473.6176.4-65.5119.5000111.6W250 G252 R275 S304 R305 D321W250-H271 AromaticContact CD1-CE1 3.31Å; W250-H271 AromaticContact CD1-ND1 3.26Å; W250-H271 VanDerWaalsContact CD1-ND1 3.26Å; W250-H271 AromaticContact CE2-CE1 3.84Å; W250-H271 AromaticContact NE1-CE1 3.13Å; W250-H271 PolarHBondContact NE1-CE1 2.82Å; W250-H271 AromaticContact NE1-ND1 3.39Å; W250-H271 PolarHBondContact NE1-ND1 3.28Å; W250-H271 AromaticContact NE1-NE2 3.69Å; W250-H271 PolarHBondContact O-CE1 2.74Å; W250-H271 VanDerWaalsContact O-CE1 3.31Å; G252-H271 PolarHBondContact N-ND1 3.29Å; G252-H271 WeakPolarHBondContact O-CB 3.27Å; G252-H271 PolarHBondContact O-N 2.85Å; H271-R275 PolarHBondContact CD2-NH1 2.95Å; H271-R275 VanDerWaalsContact CD2-NH1 3.33Å; H271-R275 PolarHBondContact CD2-NH2 2.71Å; H271-S304 WeakPolarHBondContact CB-OG 3.25Å; H271-S304 PolarHBondContact O-N 2.9Å; H271-S304 VanDerWaalsContact O-N 3.16Å; H271-S304 PolarHBondContact O-OG 3.34Å; H271-R305 HydrophobicContact CB-CB 4.13Å; H271-R305 HydrophobicContact CB-CG 4Å; H271-R305 PolarHBondContact CD2-NE 3.38Å; H271-R305 VanDerWaalsContact NE2-CZ 3.34Å; H271-R305 PolarHBondContact NE2-NH1 3.07Å; H271-D321 IonicContact CE1-OD2 3.81Å; H271-D321 IonicContact NE2-OD2 2.66Å; H271-D321 PolarHBondContact NE2-OD2 3.35Å; H271-D321 VanDerWaalsContact NE2-OD2 3.07Å
272K96.1Very high96.4Very high63 Ų6353.3 Ų53.327%0.27427%0.274SS..  trans-90.4142.6176.3-61.5-163174.3-162.40111.5D253 P270 E274 R275D253-K272 HydrophobicContact CB-CG 4.46Å; P270-K272 VanDerWaalsContact C-N 3.32Å; P270-K272 HydrophobicContact CB-CG 4.15Å; P270-K272 PolarHBondContact O-N 2.87Å; K272-E274 WeakPolarHBondContact CB-OE2 3.41Å; K272-E274 PolarHBondContact O-N 2.7Å; K272-E274 VanDerWaalsContact O-N 3.13Å; K272-R275 VanDerWaalsContact O-CB 3.27Å; K272-R275 WeakPolarHBondContact O-CB 3.18Å; K272-R275 PolarHBondContact O-N 2.88Å
273P96.4Very high96.7Very high1 Ų155.7 Ų55.71%0.00628%0.277CS..THydrogen-bonded Turntrans-57.4-27.9-177.9-26.735.7000115I289 W295 V297 A302P273-I289 HydrophobicContact CB-CD1 3.78Å; P273-I289 HydrophobicContact CB-CG2 4.13Å; P273-W295 HydrophobicContact CB-CB 4.23Å; P273-V297 HydrophobicContact CB-CG2 4.05Å; P273-V297 HydrophobicContact CG-CG2 3.96Å; P273-A302 WeakPolarHBondContact CD-O 3.08Å; P273-A302 WeakPolarHBondContact CG-O 3.47Å
274E95.3Very high96.9Very high79 Ų7954.7 Ų54.737%0.36928%0.276SS..THydrogen-bonded Turntrans-84.4-5.2177.869.5-87.4-148.400114.7K272 E276 W295K272-E274 WeakPolarHBondContact CB-OE2 3.41Å; K272-E274 PolarHBondContact O-N 2.7Å; K272-E274 VanDerWaalsContact O-N 3.13Å; E274-E276 PolarHBondContact O-N 2.99Å; E274-W295 HydrophobicContact CB-CB 4.18Å; E274-W295 HydrophobicContact CB-CD2 4.07Å; E274-W295 HydrophobicContact CB-CG 3.7Å; E274-W295 HydrophobicContact CG-CG 4.18Å; E274-W295 VanDerWaalsContact OE2-CB 3.29Å; E274-W295 WeakPolarHBondContact OE2-CB 3.48Å
275R97Very high96.9Very high32 Ų3256 Ų5612%0.12128%0.281CS..SBendtrans-65.2129.6173.9-160.7179.475.6179.113.3108.5D269 P270 H271 K272 D277 E278 K279 D321D269-R275 PolarHBondContact O-NH1 3.28Å; D269-R275 WeakPolarHBondContact OD2-CD 3.21Å; P270-R275 PolarHBondContact O-NH1 3.42Å; H271-R275 PolarHBondContact CD2-NH1 2.95Å; H271-R275 VanDerWaalsContact CD2-NH1 3.33Å; H271-R275 PolarHBondContact CD2-NH2 2.71Å; K272-R275 VanDerWaalsContact O-CB 3.27Å; K272-R275 WeakPolarHBondContact O-CB 3.18Å; K272-R275 PolarHBondContact O-N 2.88Å; R275-D277 VanDerWaalsContact C-N 3.34Å; R275-D277 WeakPolarHBondContact CD-OD1 3.21Å; R275-D277 VanDerWaalsContact CG-OD1 3.27Å; R275-D277 WeakPolarHBondContact CG-OD1 3.19Å; R275-D277 IonicContact CZ-OD1 3.94Å; R275-D277 IonicContact CZ-OD2 3.34Å; R275-D277 IonicContact NE-OD1 2.7Å; R275-D277 PolarHBondContact NE-OD1 3.49Å; R275-D277 IonicContact NE-OD2 3.96Å; R275-D277 PolarHBondContact NE-OD2 3.49Å; R275-D277 IonicContact NH2-OD1 2.99Å; R275-D277 IonicContact NH2-OD2 3.62Å; R275-D277 PolarHBondContact NH2-OD2 3.07Å; R275-D277 PolarHBondContact O-N 2.91Å; R275-E278 HydrophobicContact CB-CB 4.27Å; R275-E278 HydrophobicContact CB-CG 4.36Å; R275-E278 IonicContact NH2-OE1 3.26Å; R275-E278 PolarHBondContact O-N 3.47Å; R275-K279 WeakPolarHBondContact O-CB 3.28Å; R275-K279 PolarHBondContact O-N 3.02Å; R275-D321 IonicContact NH2-OD2 3.34Å
276E97.5Very high97Very high129 Ų12957 Ų5760%0.60330%0.3SS*.Hα-helixtrans-59.1-41.3-163.5-169.762.7-160.500113.6E274 Q280E274-E276 PolarHBondContact O-N 2.99Å; E276-Q280 WeakPolarHBondContact O-CB 3.5Å; E276-Q280 PolarHBondContact O-N 3.4Å
277D97.6Very high97.2Very high80 Ų8051.8 Ų51.843%0.42827%0.27SS..Hα-helixtrans-67.2-40.1176.765.1-35.4000112.4R275 R281R275-D277 VanDerWaalsContact C-N 3.34Å; R275-D277 WeakPolarHBondContact CD-OD1 3.21Å; R275-D277 VanDerWaalsContact CG-OD1 3.27Å; R275-D277 WeakPolarHBondContact CG-OD1 3.19Å; R275-D277 IonicContact CZ-OD1 3.94Å; R275-D277 IonicContact CZ-OD2 3.34Å; R275-D277 IonicContact NE-OD1 2.7Å; R275-D277 PolarHBondContact NE-OD1 3.49Å; R275-D277 IonicContact NE-OD2 3.96Å; R275-D277 PolarHBondContact NE-OD2 3.49Å; R275-D277 IonicContact NH2-OD1 2.99Å; R275-D277 IonicContact NH2-OD2 3.62Å; R275-D277 PolarHBondContact NH2-OD2 3.07Å; R275-D277 PolarHBondContact O-N 2.91Å; D277-R281 VanDerWaalsContact O-CB 3.29Å; D277-R281 WeakPolarHBondContact O-CB 3.14Å; D277-R281 PolarHBondContact O-N 3.43Å
278E98.3Very high97.1Very high2 Ų254 Ų541%0.00929%0.286CS..Hα-helixtrans-69.2-43.1177.3-71.2-63.4110.100111.9R275 R281 I282 S304 R305R275-E278 HydrophobicContact CB-CB 4.27Å; R275-E278 HydrophobicContact CB-CG 4.36Å; R275-E278 IonicContact NH2-OE1 3.26Å; R275-E278 PolarHBondContact O-N 3.47Å; E278-R281 PolarHBondContact O-N 3.06Å; E278-R281 IonicContact OE1-NE 2.75Å; E278-R281 IonicContact OE2-CZ 3.45Å; E278-R281 IonicContact OE2-NE 4Å; E278-R281 PolarHBondContact OE2-NE 2.94Å; E278-R281 IonicContact OE2-NH2 2.81Å; E278-R281 PolarHBondContact OE2-NH2 3.33Å; E278-I282 WeakPolarHBondContact O-CB 3.46Å; E278-I282 WeakPolarHBondContact O-CD1 3.43Å; E278-I282 VanDerWaalsContact O-CG1 3.24Å; E278-I282 WeakPolarHBondContact O-CG1 3.42Å; E278-I282 PolarHBondContact O-N 3.08Å; E278-S304 WeakPolarHBondContact CG-OG 3.48Å; E278-S304 WeakPolarHBondContact OE2-CB 3.31Å; E278-S304 PolarHBondContact OE2-OG 2.98Å; E278-R305 VanDerWaalsContact CD-NE 3.34Å; E278-R305 IonicContact OE1-CZ 3.58Å; E278-R305 VanDerWaalsContact OE1-CZ 3.23Å; E278-R305 IonicContact OE1-NE 3.49Å; E278-R305 PolarHBondContact OE1-NE 3.08Å; E278-R305 IonicContact OE1-NH2 2.92Å; E278-R305 PolarHBondContact OE1-NH2 3.46Å; E278-R305 VanDerWaalsContact OE2-CG 3.25Å; E278-R305 WeakPolarHBondContact OE2-CG 3.47Å; E278-R305 IonicContact OE2-NE 3.61Å; E278-R305 PolarHBondContact OE2-NE 3.35Å
279K97.7Very high97.1Very high66 Ų6654.3 Ų54.329%0.28729%0.287SS..Hα-helixtrans-58.4-51.9174.1178.4-177.9170.7-161.30110.7R275 R281 I282 E283 I289R275-K279 WeakPolarHBondContact O-CB 3.28Å; R275-K279 PolarHBondContact O-N 3.02Å; K279-R281 VanDerWaalsContact C-N 3.34Å; K279-R281 PolarHBondContact O-N 3.48Å; K279-I282 PolarHBondContact O-N 2.88Å; K279-I282 VanDerWaalsContact O-N 3.17Å; K279-E283 WeakPolarHBondContact CE-OE1 3.23Å; K279-E283 HydrophobicContact CG-CG 4.45Å; K279-E283 WeakPolarHBondContact O-CG 3.3Å; K279-E283 PolarHBondContact O-N 3.32Å; K279-I289 HydrophobicContact CB-CG1 4.27Å; K279-I289 HydrophobicContact CG-CB 4.48Å; K279-I289 HydrophobicContact CG-CG1 3.89Å
280Q98.1Very high97Very high87 Ų8752.6 Ų52.641%0.40728%0.28SS..Hα-helixtrans-59-46.3178.6-17464.663.200111.1E276 I282 E283 D284E276-Q280 WeakPolarHBondContact O-CB 3.5Å; E276-Q280 PolarHBondContact O-N 3.4Å; Q280-I282 VanDerWaalsContact C-N 3.28Å; Q280-I282 PolarHBondContact O-N 3.4Å; Q280-E283 PolarHBondContact O-N 3.18Å; Q280-D284 PolarHBondContact NE2-OD1 3.27Å; Q280-D284 WeakPolarHBondContact O-CB 3.47Å; Q280-D284 PolarHBondContact O-N 2.93Å
281R98.3Very high96.9Very high56 Ų5657.7 Ų57.721%0.21130%0.301CS..Hα-helixtrans-56.5-42.2176.7-177-170.964.271.5-0.3111.9D277 E278 K279 L285 S304 P314 Y315D277-R281 VanDerWaalsContact O-CB 3.29Å; D277-R281 WeakPolarHBondContact O-CB 3.14Å; D277-R281 PolarHBondContact O-N 3.43Å; E278-R281 PolarHBondContact O-N 3.06Å; E278-R281 IonicContact OE1-NE 2.75Å; E278-R281 IonicContact OE2-CZ 3.45Å; E278-R281 IonicContact OE2-NE 4Å; E278-R281 PolarHBondContact OE2-NE 2.94Å; E278-R281 IonicContact OE2-NH2 2.81Å; E278-R281 PolarHBondContact OE2-NH2 3.33Å; K279-R281 VanDerWaalsContact C-N 3.34Å; K279-R281 PolarHBondContact O-N 3.48Å; R281-L285 HydrophobicContact CG-CD1 4.48Å; R281-L285 WeakPolarHBondContact O-CD1 3.4Å; R281-L285 VanDerWaalsContact O-CG 3.28Å; R281-L285 WeakPolarHBondContact O-CG 3.1Å; R281-L285 PolarHBondContact O-N 2.96Å; R281-S304 PolarHBondContact NH2-O 3.39Å; R281-P314 PolarHBondContact NH1-O 3.48Å; R281-Y315 PolarHBondContact NH1-O 2.9Å; R281-Y315 PolarHBondContact NH2-O 3.28Å
282I98.3Very high96.5Very high0 Ų063.2 Ų63.20%033%0.328CS..Hα-helixtrans-71.3-43-179.1-70.9163.6000111.2E278 K279 Q280 L285 G286 G287 I289 V297 Y315E278-I282 WeakPolarHBondContact O-CB 3.46Å; E278-I282 WeakPolarHBondContact O-CD1 3.43Å; E278-I282 VanDerWaalsContact O-CG1 3.24Å; E278-I282 WeakPolarHBondContact O-CG1 3.42Å; E278-I282 PolarHBondContact O-N 3.08Å; K279-I282 PolarHBondContact O-N 2.88Å; K279-I282 VanDerWaalsContact O-N 3.17Å; Q280-I282 VanDerWaalsContact C-N 3.28Å; Q280-I282 PolarHBondContact O-N 3.4Å; I282-L285 PolarHBondContact O-N 3.5Å; I282-G286 PolarHBondContact O-N 2.98Å; I282-G287 WeakPolarHBondContact O-CA 3.4Å; I282-G287 PolarHBondContact O-N 2.83Å; I282-I289 HydrophobicContact CB-CD1 4.34Å; I282-I289 HydrophobicContact CD1-CD1 3.74Å; I282-I289 HydrophobicContact CG2-CD1 3.99Å; I282-V297 HydrophobicContact CD1-CG1 4.2Å; I282-V297 HydrophobicContact CD1-CG2 3.7Å; I282-V297 HydrophobicContact CG2-CG1 4.14Å; I282-Y315 HydrophobicContact CG2-CD1 4.42Å
283E97.4Very high96.1Very high83 Ų8363.7 Ų63.739%0.38835%0.351SS..Hα-helixtrans-65-38.9177.7-71.2178.317300111.6K279 Q280 L285 G286K279-E283 WeakPolarHBondContact CE-OE1 3.23Å; K279-E283 HydrophobicContact CG-CG 4.45Å; K279-E283 WeakPolarHBondContact O-CG 3.3Å; K279-E283 PolarHBondContact O-N 3.32Å; Q280-E283 PolarHBondContact O-N 3.18Å; E283-L285 PolarHBondContact O-N 3.36Å; E283-G286 WeakPolarHBondContact O-CA 3.42Å; E283-G286 PolarHBondContact O-N 3.44Å
284D98.1Very high95.9Very high119 Ų11965.8 Ų65.864%0.63637%0.365SS*.Hα-helixtrans-63.6-28.7175.2-72.4-15.7000112.8Q280 G286Q280-D284 PolarHBondContact NE2-OD1 3.27Å; Q280-D284 WeakPolarHBondContact O-CB 3.47Å; Q280-D284 PolarHBondContact O-N 2.93Å; D284-G286 PolarHBondContact O-N 3.03Å
285L97.7Very high95.9Very high77 Ų7767.1 Ų67.140%0.40337%0.367SS..THydrogen-bonded Turntrans-80.9-1.9173.6-68168.8000112.9R281 I282 E283 P314 Y315R281-L285 HydrophobicContact CG-CD1 4.48Å; R281-L285 WeakPolarHBondContact O-CD1 3.4Å; R281-L285 VanDerWaalsContact O-CG 3.28Å; R281-L285 WeakPolarHBondContact O-CG 3.1Å; R281-L285 PolarHBondContact O-N 2.96Å; I282-L285 PolarHBondContact O-N 3.5Å; E283-L285 PolarHBondContact O-N 3.36Å; L285-P314 HydrophobicContact CD1-CB 4.17Å; L285-P314 HydrophobicContact CD1-CG 4.19Å; L285-P314 WeakPolarHBondContact CD1-O 3.26Å; L285-P314 HydrophobicContact CD2-CG 4.19Å; L285-Y315 HydrophobicContact CB-CD1 3.99Å; L285-Y315 HydrophobicContact CB-CE1 3.99Å; L285-Y315 WeakPolarHBondContact O-CE1 3.39Å
286G96.9Very high95.8Very high63 Ų6369 Ų6965%0.64937%0.374SS*.THydrogen-bonded Turntrans85.311.5-177.100000114.6I282 E283 D284I282-G286 PolarHBondContact O-N 2.98Å; E283-G286 WeakPolarHBondContact O-CA 3.42Å; E283-G286 PolarHBondContact O-N 3.44Å; D284-G286 PolarHBondContact O-N 3.03Å
287G96.3Very high95.7Very high12 Ų1262.9 Ų62.912%0.12435%0.346CS..  trans-83.9-177.8172.700000112I282 N298 Y315I282-G287 WeakPolarHBondContact O-CA 3.4Å; I282-G287 PolarHBondContact O-N 2.83Å; G287-N298 WeakPolarHBondContact CA-OD1 3.4Å; G287-Y315 VanDerWaalsContact N-CE1 3.31Å
288C94.8Very high95.5Very high58 Ų5861.3 Ų61.339%0.39234%0.337SS..  trans-143.3155.717469.30000112.7N298C288-N298 PolarHBondContact N-OD1 3.49Å; C288-N298 PolarHBondContact O-N 2.95Å
289I96.2Very high95.2Very high24 Ų2462.2 Ų62.212%0.12335%0.346CS..EExtended strand (participates in β ladder)trans-106.9121.6173.4-58.4-51.7000109.2P273 K279 I282 W295 R296 V297P273-I289 HydrophobicContact CB-CD1 3.78Å; P273-I289 HydrophobicContact CB-CG2 4.13Å; K279-I289 HydrophobicContact CB-CG1 4.27Å; K279-I289 HydrophobicContact CG-CB 4.48Å; K279-I289 HydrophobicContact CG-CG1 3.89Å; I282-I289 HydrophobicContact CB-CD1 4.34Å; I282-I289 HydrophobicContact CD1-CD1 3.74Å; I282-I289 HydrophobicContact CG2-CD1 3.99Å; I289-W295 HydrophobicContact CG2-CB 4.31Å; I289-W295 HydrophobicContact CG2-CD2 4.36Å; I289-W295 HydrophobicContact CG2-CE3 3.63Å; I289-W295 HydrophobicContact CG2-CZ3 4.29Å; I289-R296 WeakPolarHBondContact CA-O 3.49Å; I289-V297 HydrophobicContact CD1-CB 4.44Å; I289-V297 HydrophobicContact CD1-CG2 4.02Å
290T94.8Very high94.8Very high57 Ų5762.8 Ų62.835%0.3536%0.356SS..EExtended strand (participates in β ladder)trans-124.2136.8-176.7-55.10000110.6M292 R296T290-M292 HydrophobicContact CG2-CG 4.12Å; T290-R296 PolarHBondContact N-O 2.75Å; T290-R296 PolarHBondContact O-N 2.86Å
291F94.2Very high94.5Very high123 Ų12360.7 Ų60.754%0.53934%0.344SS..EExtended strand (participates in β ladder)trans-86.6116.9175.2-173-98.9000111.3W295F291-W295 HydrophobicContact CB-CD2 4.22Å; F291-W295 HydrophobicContact CB-CE3 3.78Å; F291-W295 HydrophobicContact CB-CH2 4.21Å; F291-W295 HydrophobicContact CB-CZ3 3.8Å; F291-W295 AromaticContact CD2-CD2 3.84Å; F291-W295 HydrophobicContact CD2-CD2 3.84Å; F291-W295 AromaticContact CD2-CE2 3.85Å; F291-W295 HydrophobicContact CD2-CE3 4.29Å; F291-W295 HydrophobicContact CD2-CG 4.09Å; F291-W295 HydrophobicContact CD2-CZ2 4.34Å
292M89.6Confident94.3Very high116 Ų11659.8 Ų59.857%0.57135%0.349SS*.SBendtrans-13873.7176.2-64-175.772.200109.9T290 C294T290-M292 HydrophobicContact CG2-CG 4.12Å; M292-C294 CarbonylContact C-O 3.56Å; M292-C294 PolarHBondContact N-O 3.37Å; M292-C294 PolarHBondContact O-N 3.34Å
293G88.4Confident94.2Very high73 Ų7360.2 Ų60.275%0.75335%0.351SS*.SBendtrans77.8-39-170.600000112.9
294C90.9Very high94.2Very high45 Ų4556.2 Ų56.230%0.30433%0.333SS..SBendtrans-136.9168.2163.261.70000109.6M292 R296M292-C294 CarbonylContact C-O 3.56Å; M292-C294 PolarHBondContact N-O 3.37Å; M292-C294 PolarHBondContact O-N 3.34Å; C294-R296 VanDerWaalsContact SG-CZ 3.57Å; C294-R296 PolarHBondContact SG-NH2 3.42Å
295W94.9Very high94.2Very high107 Ų10751.6 Ų51.641%0.40531%0.307SS..EExtended strand (participates in β ladder)trans-69.9135.3174.9-66.3106.9000110.8P273 E274 I289 F291P273-W295 HydrophobicContact CB-CB 4.23Å; E274-W295 HydrophobicContact CB-CB 4.18Å; E274-W295 HydrophobicContact CB-CD2 4.07Å; E274-W295 HydrophobicContact CB-CG 3.7Å; E274-W295 HydrophobicContact CG-CG 4.18Å; E274-W295 VanDerWaalsContact OE2-CB 3.29Å; E274-W295 WeakPolarHBondContact OE2-CB 3.48Å; I289-W295 HydrophobicContact CG2-CB 4.31Å; I289-W295 HydrophobicContact CG2-CD2 4.36Å; I289-W295 HydrophobicContact CG2-CE3 3.63Å; I289-W295 HydrophobicContact CG2-CZ3 4.29Å; F291-W295 HydrophobicContact CB-CD2 4.22Å; F291-W295 HydrophobicContact CB-CE3 3.78Å; F291-W295 HydrophobicContact CB-CH2 4.21Å; F291-W295 HydrophobicContact CB-CZ3 3.8Å; F291-W295 AromaticContact CD2-CD2 3.84Å; F291-W295 HydrophobicContact CD2-CD2 3.84Å; F291-W295 AromaticContact CD2-CE2 3.85Å; F291-W295 HydrophobicContact CD2-CE3 4.29Å; F291-W295 HydrophobicContact CD2-CG 4.09Å; F291-W295 HydrophobicContact CD2-CZ2 4.34Å
296R96.1Very high94.3Very high73 Ų7348 Ų4828%0.27529%0.287SS..EExtended strand (participates in β ladder)trans-137.8138.6-175-64.4179.9-177.7-85.2-10.3112.7I289 T290 C294 N298 T300 Y301I289-R296 WeakPolarHBondContact CA-O 3.49Å; T290-R296 PolarHBondContact N-O 2.75Å; T290-R296 PolarHBondContact O-N 2.86Å; C294-R296 VanDerWaalsContact SG-CZ 3.57Å; C294-R296 PolarHBondContact SG-NH2 3.42Å; R296-N298 PolarHBondContact O-N 3.32Å; R296-T300 PolarHBondContact NH1-O 3.04Å; R296-Y301 CarbonylContact C-O 3.43Å; R296-Y301 WeakPolarHBondContact CA-O 3.5Å
297V94.9Very high94.4Very high0 Ų045 Ų450%026%0.256CS..EExtended strand (participates in β ladder)trans-69.2123.1168.7-174.20000109P273 I282 I289 G299 T300 Y301 V303 V316P273-V297 HydrophobicContact CB-CG2 4.05Å; P273-V297 HydrophobicContact CG-CG2 3.96Å; I282-V297 HydrophobicContact CD1-CG1 4.2Å; I282-V297 HydrophobicContact CD1-CG2 3.7Å; I282-V297 HydrophobicContact CG2-CG1 4.14Å; I289-V297 HydrophobicContact CD1-CB 4.44Å; I289-V297 HydrophobicContact CD1-CG2 4.02Å; V297-G299 PolarHBondContact O-N 3.39Å; V297-T300 PolarHBondContact O-N 3.22Å; V297-Y301 PolarHBondContact N-O 2.95Å; V297-Y301 PolarHBondContact O-N 2.99Å; V297-V303 WeakPolarHBondContact CG2-O 3.46Å; V297-V316 HydrophobicContact CG1-CG2 4.45Å
298N93.4Very high94.4Very high47 Ų4744.4 Ų44.425%0.25125%0.251SS..THydrogen-bonded Turntrans48.933.7-177.5-59.3-29.5000112.9G287 C288 R296 T300 Y315G287-N298 WeakPolarHBondContact CA-OD1 3.4Å; C288-N298 PolarHBondContact N-OD1 3.49Å; C288-N298 PolarHBondContact O-N 2.95Å; R296-N298 PolarHBondContact O-N 3.32Å; N298-T300 PolarHBondContact O-N 2.99Å; N298-T300 PolarHBondContact O-OG1 3.42Å; N298-Y315 WeakPolarHBondContact ND2-CD2 3.2Å
299G91.6Very high94.5Very high20 Ų2041.7 Ų41.721%0.20623%0.232CC..THydrogen-bonded Turntrans69.85-178.400000115.7V297V297-G299 PolarHBondContact O-N 3.39Å
300T90.1Very high94.5Very high78 Ų7842.7 Ų42.748%0.47924%0.236SC..THydrogen-bonded Turntrans-115.6-54.1-171.7-52.30000113.3R296 V297 N298R296-T300 PolarHBondContact NH1-O 3.04Å; V297-T300 PolarHBondContact O-N 3.22Å; N298-T300 PolarHBondContact O-N 2.99Å; N298-T300 PolarHBondContact O-OG1 3.42Å
301Y91.1Very high94.3Very high43 Ų4344.3 Ų44.317%0.16924%0.242CC..BIsolated β-bridgetrans-104.2132.1-168.2-67.3-98.1000112.6R296 V297 V303 D309 Q312 V316R296-Y301 CarbonylContact C-O 3.43Å; R296-Y301 WeakPolarHBondContact CA-O 3.5Å; V297-Y301 PolarHBondContact N-O 2.95Å; V297-Y301 PolarHBondContact O-N 2.99Å; Y301-V303 VanDerWaalsContact C-N 3.28Å; Y301-V303 PolarHBondContact O-N 3.45Å; Y301-D309 HydrophobicContact CE1-CB 4.46Å; Y301-D309 WeakPolarHBondContact CE1-OD1 3.43Å; Y301-Q312 HydrophobicContact CD2-CG 3.42Å; Y301-Q312 VanDerWaalsContact CD2-CG 3.42Å; Y301-Q312 HydrophobicContact CE1-CG 4.38Å; Y301-Q312 HydrophobicContact CE2-CB 4.43Å; Y301-Q312 HydrophobicContact CE2-CG 3.05Å; Y301-Q312 HydrophobicContact CG-CG 4.26Å; Y301-V316 HydrophobicContact CG-CG2 4.47Å
302A93.9Very high94.3Very high37 Ų3740 Ų4031%0.30622%0.224SC..SBendtrans-83.70.7-178.100000114.1P273P273-A302 WeakPolarHBondContact CD-O 3.08Å; P273-A302 WeakPolarHBondContact CG-O 3.47Å
303V96.6Very high94.5Very high9 Ų937.2 Ų37.26%0.05521%0.208CC..  trans-122.1147.7177-65.30000110.3T235 D253 V297 Y301 A306T235-V303 HydrophobicContact CG2-CG1 4.06Å; D253-V303 HydrophobicContact CB-CG1 4.4Å; D253-V303 WeakPolarHBondContact OD1-CG1 3.46Å; D253-V303 WeakPolarHBondContact OD2-CG1 3.3Å; V297-V303 WeakPolarHBondContact CG2-O 3.46Å; Y301-V303 VanDerWaalsContact C-N 3.28Å; Y301-V303 PolarHBondContact O-N 3.45Å; V303-A306 HydrophobicContact CG2-CB 4.42Å
304S97.8Very high94.9Very high0 Ų037.2 Ų37.20%020%0.196CC..SBendtrans-96.3-14.2178.568.70000113.8H271 E278 R281 V316 S317H271-S304 WeakPolarHBondContact CB-OG 3.25Å; H271-S304 PolarHBondContact O-N 2.9Å; H271-S304 VanDerWaalsContact O-N 3.16Å; H271-S304 PolarHBondContact O-OG 3.34Å; E278-S304 WeakPolarHBondContact CG-OG 3.48Å; E278-S304 WeakPolarHBondContact OE2-CB 3.31Å; E278-S304 PolarHBondContact OE2-OG 2.98Å; R281-S304 PolarHBondContact NH2-O 3.39Å; S304-V316 VanDerWaalsContact O-CA 3.3Å; S304-V316 WeakPolarHBondContact O-CA 3.48Å; S304-S317 PolarHBondContact O-N 2.96Å
305R98.6Very high95.1Very high22 Ų2238.2 Ų38.28%0.08319%0.193CC..BIsolated β-bridgetrans-140141.2176.7-49.9-159.5-171.9166.114.9111.2L251 G252 H271 E278 S317 D319 D321L251-R305 HydrophobicContact CD2-CB 3.66Å; G252-R305 WeakPolarHBondContact CA-O 3.49Å; G252-R305 PolarHBondContact N-O 3.38Å; H271-R305 HydrophobicContact CB-CB 4.13Å; H271-R305 HydrophobicContact CB-CG 4Å; H271-R305 PolarHBondContact CD2-NE 3.38Å; H271-R305 VanDerWaalsContact NE2-CZ 3.34Å; H271-R305 PolarHBondContact NE2-NH1 3.07Å; E278-R305 VanDerWaalsContact CD-NE 3.34Å; E278-R305 IonicContact OE1-CZ 3.58Å; E278-R305 VanDerWaalsContact OE1-CZ 3.23Å; E278-R305 IonicContact OE1-NE 3.49Å; E278-R305 PolarHBondContact OE1-NE 3.08Å; E278-R305 IonicContact OE1-NH2 2.92Å; E278-R305 PolarHBondContact OE1-NH2 3.46Å; E278-R305 VanDerWaalsContact OE2-CG 3.25Å; E278-R305 WeakPolarHBondContact OE2-CG 3.47Å; E278-R305 IonicContact OE2-NE 3.61Å; E278-R305 PolarHBondContact OE2-NE 3.35Å; R305-S317 CarbonylContact C-O 3.59Å; R305-S317 WeakPolarHBondContact CA-O 3.42Å; R305-S317 WeakPolarHBondContact CB-O 3.39Å; R305-D319 WeakPolarHBondContact CD-O 3.44Å; R305-D319 PolarHBondContact NH1-O 2.87Å; R305-D321 IonicContact CZ-OD1 2.73Å; R305-D321 IonicContact CZ-OD2 3.17Å; R305-D321 VanDerWaalsContact NH1-CG 3.3Å; R305-D321 IonicContact NH1-OD1 3.6Å; R305-D321 PolarHBondContact NH1-OD1 2.9Å; R305-D321 IonicContact NH1-OD2 2.62Å; R305-D321 IonicContact NH2-OD1 2.96Å; R305-D321 IonicContact NH2-OD2 2.75Å
306A98.5Very high95.3Very high0 Ų033.1 Ų33.10%017%0.174CC..  trans-163.4156.9-179.100000112S234 V303 D309 V316 S317S234-A306 WeakPolarHBondContact O-CA 3.16Å; S234-A306 WeakPolarHBondContact O-CB 3.4Å; V303-A306 HydrophobicContact CG2-CB 4.42Å; A306-D309 VanDerWaalsContact CB-OD2 3.23Å; A306-D309 WeakPolarHBondContact CB-OD2 3.39Å; A306-V316 HydrophobicContact CB-CG1 3.77Å; A306-S317 PolarHBondContact N-O 3.36Å
307I98.8Very high95.3Very high0 Ų030.2 Ų30.20%017%0.165CC..EExtended strand (participates in β ladder)trans-75.4138.3158.4-65.4174.7000107.6A188 F214 T217 D218 F221 G233 S234 L251A188-I307 HydrophobicContact CB-CD1 3.63Å; F214-I307 HydrophobicContact CD1-CD1 4.04Å; F214-I307 HydrophobicContact CD1-CG1 4.43Å; F214-I307 HydrophobicContact CE1-CD1 4.26Å; T217-I307 HydrophobicContact CG2-CD1 4.39Å; D218-I307 WeakPolarHBondContact OD1-CA 3.31Å; F221-I307 HydrophobicContact CB-CG2 4.35Å; F221-I307 HydrophobicContact CD1-CG2 4.05Å; F221-I307 HydrophobicContact CG-CG2 4.44Å; G233-I307 CarbonylContact C-O 3.48Å; G233-I307 WeakPolarHBondContact CA-O 3.28Å; S234-I307 PolarHBondContact N-O 3.22Å; S234-I307 PolarHBondContact O-N 2.9Å; L251-I307 HydrophobicContact CD1-CG1 3.7Å
308G98.1Very high95.4Very high0 Ų030.4 Ų30.40%017%0.167CC..EExtended strand (participates in β ladder)trans84.6-141.8-176.500000112.2D218 F310 K313D218-G308 PolarHBondContact OD1-N 2.96Å; G308-F310 PolarHBondContact O-N 2.95Å; G308-K313 WeakPolarHBondContact O-CE 3.48Å; G308-K313 PolarHBondContact O-NZ 3.25Å
309D96.8Very high95.6Very high2 Ų231.8 Ų31.81%0.01117%0.174CC..  trans50.340.3-177.3-63.2-41.3000113.9H179 S232 G233 Y301 A306 D311 Q312 K313 V316H179-D309 IonicContact CD2-OD1 3.97Å; H179-D309 IonicContact CD2-OD2 2.68Å; H179-D309 IonicContact CE1-OD2 3.67Å; H179-D309 PolarHBondContact CE1-OD2 2.74Å; H179-D309 VanDerWaalsContact CE1-OD2 3.23Å; H179-D309 IonicContact NE2-OD1 3.73Å; H179-D309 PolarHBondContact NE2-OD1 3.08Å; H179-D309 IonicContact NE2-OD2 3.42Å; H179-D309 PolarHBondContact NE2-OD2 3.24Å; S232-D309 PolarHBondContact O-N 3.17Å; G233-D309 WeakPolarHBondContact CA-OD1 3.4Å; Y301-D309 HydrophobicContact CE1-CB 4.46Å; Y301-D309 WeakPolarHBondContact CE1-OD1 3.43Å; A306-D309 VanDerWaalsContact CB-OD2 3.23Å; A306-D309 WeakPolarHBondContact CB-OD2 3.39Å; D309-D311 PolarHBondContact O-N 2.62Å; D309-D311 VanDerWaalsContact O-N 3.1Å; D309-Q312 PolarHBondContact O-N 3.13Å; D309-K313 PolarHBondContact O-N 3.43Å; D309-V316 HydrophobicContact CB-CB 4.39Å; D309-V316 HydrophobicContact CB-CG1 4.1Å
310F95.1Very high95.9Very high44 Ų4431 Ų3119%0.19317%0.166CC..G310 helixtrans-60.8-26.1-172.9-59-64.5000113.8F221 R222 A225 G308 Q312 K313F221-F310 HydrophobicContact CB-CZ 4.27Å; F221-F310 AromaticContact CD1-CE2 3.59Å; F221-F310 HydrophobicContact CD1-CE2 3.59Å; F221-F310 AromaticContact CD1-CZ 3.71Å; F221-F310 HydrophobicContact CD1-CZ 3.71Å; F221-F310 AromaticContact CE1-CE2 3.95Å; F221-F310 HydrophobicContact CE1-CE2 3.95Å; F221-F310 HydrophobicContact CE1-CZ 4.48Å; F221-F310 HydrophobicContact CG-CE2 4.35Å; F221-F310 HydrophobicContact CG-CZ 4.33Å; R222-F310 VanDerWaalsContact CA-CE2 3.49Å; R222-F310 HydrophobicContact CB-CD1 3.98Å; R222-F310 HydrophobicContact CB-CE1 3.38Å; R222-F310 HydrophobicContact CB-CE2 4.19Å; R222-F310 HydrophobicContact CB-CZ 3.52Å; R222-F310 HydrophobicContact CG-CD1 3.69Å; R222-F310 HydrophobicContact CG-CE1 3.66Å; R222-F310 HydrophobicContact CG-CG 4.18Å; R222-F310 HydrophobicContact CG-CZ 4.1Å; A225-F310 HydrophobicContact CB-CD2 3.77Å; A225-F310 HydrophobicContact CB-CE2 3.5Å; A225-F310 VanDerWaalsContact CB-CE2 3.5Å; G308-F310 PolarHBondContact O-N 2.95Å; F310-Q312 PolarHBondContact O-N 3.39Å; F310-K313 HydrophobicContact CD1-CD 3.87Å; F310-K313 HydrophobicContact CE1-CD 4.32Å; F310-K313 PolarHBondContact O-N 3.5Å
311D91.7Very high96.3Very high91 Ų9129.1 Ų29.149%0.48715%0.153SC..G310 helixtrans-68.3-14.9174.4-67-32.4000112.9R231 D309R231-D311 IonicContact CZ-OD2 3.54Å; R231-D311 IonicContact NE-OD2 3.92Å; R231-D311 IonicContact NH1-OD1 3.7Å; R231-D311 IonicContact NH1-OD2 2.66Å; R231-D311 PolarHBondContact NH1-OD2 2.84Å; D309-D311 PolarHBondContact O-N 2.62Å; D309-D311 VanDerWaalsContact O-N 3.1Å
312Q92.9Very high96.7Very high33 Ų3328.1 Ų28.115%0.15415%0.152CC..G310 helixtrans-112.9-4-179.8-60.9-56.9-55.400114.2Y301 D309 F310 Y315 V316Y301-Q312 HydrophobicContact CD2-CG 3.42Å; Y301-Q312 VanDerWaalsContact CD2-CG 3.42Å; Y301-Q312 HydrophobicContact CE1-CG 4.38Å; Y301-Q312 HydrophobicContact CE2-CB 4.43Å; Y301-Q312 HydrophobicContact CE2-CG 3.05Å; Y301-Q312 HydrophobicContact CG-CG 4.26Å; D309-Q312 PolarHBondContact O-N 3.13Å; F310-Q312 PolarHBondContact O-N 3.39Å; Q312-Y315 WeakPolarHBondContact O-CA 3.31Å; Q312-Y315 WeakPolarHBondContact O-CB 3.38Å; Q312-Y315 WeakPolarHBondContact O-CD2 3.03Å; Q312-Y315 PolarHBondContact O-N 3.14Å; Q312-V316 HydrophobicContact CB-CB 3.99Å; Q312-V316 HydrophobicContact CB-CG2 3.69Å; Q312-V316 HydrophobicContact CG-CG2 4.34Å; Q312-V316 PolarHBondContact O-N 3.13Å; Q312-V316 VanDerWaalsContact O-N 3.11Å
313K95.1Very high96.9Very high57 Ų5727.9 Ų27.925%0.24815%0.148CC..THydrogen-bonded Turntrans-68.2135172.7-63.8-167.4-164.6-80.80108.6D218 G308 D309 F310 V316D218-K313 IonicContact OD1-NZ 3.55Å; D218-K313 PolarHBondContact OD1-NZ 3.45Å; D218-K313 VanDerWaalsContact OD2-CE 3.25Å; D218-K313 WeakPolarHBondContact OD2-CE 3.24Å; D218-K313 IonicContact OD2-NZ 3.57Å; D218-K313 PolarHBondContact OD2-NZ 3.24Å; G308-K313 WeakPolarHBondContact O-CE 3.48Å; G308-K313 PolarHBondContact O-NZ 3.25Å; D309-K313 PolarHBondContact O-N 3.43Å; F310-K313 HydrophobicContact CD1-CD 3.87Å; F310-K313 HydrophobicContact CE1-CD 4.32Å; F310-K313 PolarHBondContact O-N 3.5Å; K313-V316 WeakPolarHBondContact CG-O 3.32Å
314P95.4Very high96.9Very high74 Ų7430.1 Ų30.148%0.48116%0.162SC..THydrogen-bonded Turncis-95.22.713.937-35.7000116R281 L285R281-P314 PolarHBondContact NH1-O 3.48Å; L285-P314 HydrophobicContact CD1-CB 4.17Å; L285-P314 HydrophobicContact CD1-CG 4.19Å; L285-P314 WeakPolarHBondContact CD1-O 3.26Å; L285-P314 HydrophobicContact CD2-CG 4.19Å
315Y96.9Very high96.9Very high65 Ų6532 Ų3226%0.25517%0.172SC..THydrogen-bonded Turntrans-64.2-50.4-177.7-47.5-69.3000111.7R281 I282 L285 G287 N298 Q312 S317R281-Y315 PolarHBondContact NH1-O 2.9Å; R281-Y315 PolarHBondContact NH2-O 3.28Å; I282-Y315 HydrophobicContact CG2-CD1 4.42Å; L285-Y315 HydrophobicContact CB-CD1 3.99Å; L285-Y315 HydrophobicContact CB-CE1 3.99Å; L285-Y315 WeakPolarHBondContact O-CE1 3.39Å; G287-Y315 VanDerWaalsContact N-CE1 3.31Å; N298-Y315 WeakPolarHBondContact ND2-CD2 3.2Å; Q312-Y315 WeakPolarHBondContact O-CA 3.31Å; Q312-Y315 WeakPolarHBondContact O-CB 3.38Å; Q312-Y315 WeakPolarHBondContact O-CD2 3.03Å; Q312-Y315 PolarHBondContact O-N 3.14Å; Y315-S317 PolarHBondContact O-N 3.12Å
316V97.3Very high96.8Very high0 Ų035.9 Ų35.90%019%0.191CC..SBendtrans-82.8105.2168.6-179.90000108.3V297 Y301 S304 A306 D309 Q312 K313V297-V316 HydrophobicContact CG1-CG2 4.45Å; Y301-V316 HydrophobicContact CG-CG2 4.47Å; S304-V316 VanDerWaalsContact O-CA 3.3Å; S304-V316 WeakPolarHBondContact O-CA 3.48Å; A306-V316 HydrophobicContact CB-CG1 3.77Å; D309-V316 HydrophobicContact CB-CB 4.39Å; D309-V316 HydrophobicContact CB-CG1 4.1Å; Q312-V316 HydrophobicContact CB-CB 3.99Å; Q312-V316 HydrophobicContact CB-CG2 3.69Å; Q312-V316 HydrophobicContact CG-CG2 4.34Å; Q312-V316 PolarHBondContact O-N 3.13Å; Q312-V316 VanDerWaalsContact O-N 3.11Å; K313-V316 WeakPolarHBondContact CG-O 3.32Å
317S97.5Very high96.7Very high13 Ų1336.9 Ų36.99%0.09120%0.196CC..BIsolated β-bridgetrans-78.7146.6-173.2-175.20000112.5S304 R305 A306 Y315 D319S304-S317 PolarHBondContact O-N 2.96Å; R305-S317 CarbonylContact C-O 3.59Å; R305-S317 WeakPolarHBondContact CA-O 3.42Å; R305-S317 WeakPolarHBondContact CB-O 3.39Å; A306-S317 PolarHBondContact N-O 3.36Å; Y315-S317 PolarHBondContact O-N 3.12Å; S317-D319 WeakPolarHBondContact OG-CB 3.15Å; S317-D319 PolarHBondContact OG-N 2.66Å; S317-D319 PolarHBondContact OG-OD2 3.3Å
318G96.9Very high96.4Very high3 Ų341 Ų413%0.03122%0.224CC..  trans-94.210.9168.100000113.7
319D97.6Very high96.1Very high76 Ų7643.7 Ų43.741%0.40625%0.253SS..  trans-95112.9-175.9-59.4-29.1000110.6K215 L251 R305 S317K215-D319 WeakPolarHBondContact CD-OD1 3.34Å; K215-D319 WeakPolarHBondContact CE-OD1 3.47Å; K215-D319 IonicContact NZ-OD1 3.27Å; K215-D319 PolarHBondContact NZ-OD1 3.01Å; L251-D319 VanDerWaalsContact CD2-C 3.45Å; L251-D319 WeakPolarHBondContact CD2-O 3.39Å; R305-D319 WeakPolarHBondContact CD-O 3.44Å; R305-D319 PolarHBondContact NH1-O 2.87Å; S317-D319 WeakPolarHBondContact OG-CB 3.15Å; S317-D319 PolarHBondContact OG-N 2.66Å; S317-D319 PolarHBondContact OG-OD2 3.3Å
320A98.3Very high95.9Very high5 Ų545.2 Ų45.24%0.04126%0.261CS..  trans-76.9147.7-176.400000112.4K211 F214 W250 L251K211-A320 WeakPolarHBondContact CE-O 3.38Å; K211-A320 WeakPolarHBondContact CG-O 3.47Å; F214-A320 HydrophobicContact CB-CB 3.68Å; F214-A320 HydrophobicContact CD1-CB 4.29Å; F214-A320 HydrophobicContact CD2-CB 3.7Å; F214-A320 HydrophobicContact CE2-CB 4.38Å; F214-A320 HydrophobicContact CG-CB 3.64Å; W250-A320 WeakPolarHBondContact O-CA 3.48Å; W250-A320 WeakPolarHBondContact O-CB 3.23Å; L251-A320 HydrophobicContact CD2-CB 4.11Å; L251-A320 HydrophobicContact CG-CB 3.94Å
321D98.6Very high96Very high38 Ų3843.2 Ų43.220%0.20325%0.252CS..EExtended strand (participates in β ladder)trans-89.3159.5162.2-77.3-10.2000109.8A249 W250 H271 R275 R305A249-D321 CarbonylContact C-O 3.54Å; A249-D321 WeakPolarHBondContact CA-O 3.4Å; A249-D321 WeakPolarHBondContact CB-O 3.43Å; W250-D321 HydrophobicContact CD2-CB 4.16Å; W250-D321 HydrophobicContact CE3-CB 4.33Å; W250-D321 HydrophobicContact CH2-CB 3.66Å; W250-D321 HydrophobicContact CZ2-CB 3.46Å; W250-D321 VanDerWaalsContact CZ2-CB 3.46Å; W250-D321 HydrophobicContact CZ3-CB 4.1Å; W250-D321 PolarHBondContact N-O 3.04Å; W250-D321 PolarHBondContact O-N 3.2Å; W250-D321 VanDerWaalsContact O-N 3.11Å; H271-D321 IonicContact CE1-OD2 3.81Å; H271-D321 IonicContact NE2-OD2 2.66Å; H271-D321 PolarHBondContact NE2-OD2 3.35Å; H271-D321 VanDerWaalsContact NE2-OD2 3.07Å; R275-D321 IonicContact NH2-OD2 3.34Å; R305-D321 IonicContact CZ-OD1 2.73Å; R305-D321 IonicContact CZ-OD2 3.17Å; R305-D321 VanDerWaalsContact NH1-CG 3.3Å; R305-D321 IonicContact NH1-OD1 3.6Å; R305-D321 PolarHBondContact NH1-OD1 2.9Å; R305-D321 IonicContact NH1-OD2 2.62Å; R305-D321 IonicContact NH2-OD1 2.96Å; R305-D321 IonicContact NH2-OD2 2.75Å
322S98.4Very high96.2Very high21 Ų2139.4 Ų39.415%0.14723%0.232CC..EExtended strand (participates in β ladder)trans-153146.8179-176.30000110.8S207 V248S207-S322 WeakPolarHBondContact CA-OG 3.21Å; S207-S322 PolarHBondContact OG-OG 3.43Å; V248-S322 CarbonylContact O-C 3.36Å; V248-S322 WeakPolarHBondContact O-CA 3.34Å; V248-S322 WeakPolarHBondContact O-CB 3.46Å; V248-S322 PolarHBondContact O-OG 2.98Å
323S98Very high96.4Very high32 Ų3238.2 Ų38.222%0.22423%0.226CC..EExtended strand (participates in β ladder)trans-138.8148.717371.60000110T247 V248 L267T247-S323 CarbonylContact C-O 3.53Å; T247-S323 WeakPolarHBondContact CA-O 3.37Å; V248-S323 WeakPolarHBondContact CG1-OG 3.11Å; V248-S323 PolarHBondContact N-O 2.99Å; V248-S323 PolarHBondContact O-N 2.85Å; L267-S323 WeakPolarHBondContact O-CB 3.5Å; L267-S323 PolarHBondContact O-OG 2.72Å
324T97.9Very high96.5Very high57 Ų5735.5 Ų35.535%0.3521%0.214SC..EExtended strand (participates in β ladder)trans-125.1135.6177.6-60.80000109S207 Q245 L246 T247S207-T324 PolarHBondContact OG-OG1 3.37Å; Q245-T324 HydrophobicContact CB-CG2 4.25Å; Q245-T324 HydrophobicContact CG-CG2 4.35Å; L246-T324 WeakPolarHBondContact O-CA 3.11Å; T247-T324 WeakPolarHBondContact CG2-OG1 3.37Å; T247-T324 WeakPolarHBondContact OG1-CG2 3.47Å; T247-T324 PolarHBondContact OG1-OG1 3.37Å
325I96.9Very high96.7Very high40 Ų4032 Ų3221%0.20519%0.191CC..EExtended strand (participates in β ladder)trans-121.8150.9171.960.8162000110.2Q245 L246 L258 L267 L327Q245-I325 WeakPolarHBondContact CA-O 3.43Å; L246-I325 HydrophobicContact CB-CD1 4.28Å; L246-I325 HydrophobicContact CB-CG1 3.88Å; L246-I325 HydrophobicContact CD2-CD1 4.44Å; L246-I325 HydrophobicContact CD2-CG1 4.26Å; L246-I325 PolarHBondContact N-O 3.05Å; L246-I325 PolarHBondContact O-N 2.92Å; L258-I325 HydrophobicContact CD2-CD1 3.39Å; L267-I325 HydrophobicContact CD2-CD1 3.67Å; L267-I325 HydrophobicContact CD2-CG1 4.28Å; L267-I325 HydrophobicContact CD2-CG2 4.17Å; I325-L327 HydrophobicContact CD1-CD2 4.36Å
326Q96.9Very high96.8Very high103 Ų10328.9 Ų28.948%0.48118%0.179SC..EExtended strand (participates in β ladder)trans-85.9132.1170.5-164.47025.100109.1Q244 R260Q244-Q326 VanDerWaalsContact CB-NE2 3.3Å; Q244-Q326 VanDerWaalsContact O-CD 3.25Å; Q244-Q326 PolarHBondContact O-NE2 3.26Å; R260-Q326 PolarHBondContact NH2-O 3.47Å
327L95.5Very high96.8Very high20 Ų2028.9 Ų28.911%0.10518%0.179CC..  trans-85.9130.8173.3-59.6176.1000109.4I241 Q244 L246 I325 E331 L407I241-L327 HydrophobicContact CG2-CD1 4Å; Q244-L327 WeakPolarHBondContact O-CB 3.43Å; Q244-L327 PolarHBondContact O-N 2.84Å; L246-L327 HydrophobicContact CB-CD1 4.24Å; L246-L327 HydrophobicContact CB-CD2 3.91Å; L246-L327 HydrophobicContact CB-CG 4.15Å; L246-L327 HydrophobicContact CD1-CD2 4.41Å; I325-L327 HydrophobicContact CD1-CD2 4.36Å; L327-E331 WeakPolarHBondContact CA-OE1 3.47Å; L327-E331 HydrophobicContact CD2-CB 4.42Å; L327-E331 HydrophobicContact CD2-CG 3.72Å; L327-L407 HydrophobicContact CD2-CD1 4.37Å
328S92.8Very high96.9Very high86 Ų8628.2 Ų28.260%0.60118%0.175SC*.  trans-102.3-3.6176.429.50000113.6D330 E331S328-D330 VanDerWaalsContact C-N 3.32Å; S328-D330 PolarHBondContact OG-OD1 3.26Å; S328-E331 PolarHBondContact N-OE1 3.27Å; S328-E331 PolarHBondContact N-OE2 2.73Å; S328-E331 PolarHBondContact OG-OE1 3.2Å
329G91.8Very high96.9Very high58 Ų5829.3 Ų29.360%0.59818%0.18SC*.SBendtrans85.16.1-177.100000113.5E331G329-E331 WeakPolarHBondContact CA-OE2 3.4Å; G329-E331 PolarHBondContact N-OE2 2.9Å
330D92.9Very high96.9Very high33 Ų3325.8 Ų25.818%0.17616%0.161CC..  trans-106.34.6175.870.9-25.9000113.3R260 K261 S328R260-D330 WeakPolarHBondContact CD-OD1 3.39Å; R260-D330 WeakPolarHBondContact CG-O 3.42Å; R260-D330 IonicContact NE-OD1 3.7Å; R260-D330 PolarHBondContact NE-OD1 2.96Å; K261-D330 HydrophobicContact CD-CB 4.48Å; K261-D330 WeakPolarHBondContact CE-OD2 3.38Å; K261-D330 HydrophobicContact CG-CB 4.47Å; K261-D330 IonicContact NZ-OD2 2.94Å; K261-D330 PolarHBondContact NZ-OD2 3.47Å; S328-D330 VanDerWaalsContact C-N 3.32Å; S328-D330 PolarHBondContact OG-OD1 3.26Å
331E95.8Very high96.9Very high3 Ų325.5 Ų25.51%0.01416%0.159CC..EExtended strand (participates in β ladder)trans-71.9142.4171.4-61.780-166.600111.3L258 R260 L327 S328 G329 L407 R408L258-E331 HydrophobicContact CD1-CB 3.85Å; L258-E331 HydrophobicContact CD1-CG 3.93Å; L258-E331 HydrophobicContact CD2-CG 3.78Å; L258-E331 HydrophobicContact CG-CG 4.37Å; R260-E331 IonicContact CZ-OE1 3.23Å; R260-E331 VanDerWaalsContact CZ-OE1 3.27Å; R260-E331 IonicContact NE-OE1 3.47Å; R260-E331 PolarHBondContact NE-OE1 2.92Å; R260-E331 VanDerWaalsContact NE-OE1 3.13Å; R260-E331 IonicContact NH2-OE1 2.61Å; R260-E331 PolarHBondContact NH2-OE1 2.8Å; L327-E331 WeakPolarHBondContact CA-OE1 3.47Å; L327-E331 HydrophobicContact CD2-CB 4.42Å; L327-E331 HydrophobicContact CD2-CG 3.72Å; S328-E331 PolarHBondContact N-OE1 3.27Å; S328-E331 PolarHBondContact N-OE2 2.73Å; S328-E331 PolarHBondContact OG-OE1 3.2Å; G329-E331 WeakPolarHBondContact CA-OE2 3.4Å; G329-E331 PolarHBondContact N-OE2 2.9Å; E331-L407 HydrophobicContact CB-CB 4.27Å; E331-L407 HydrophobicContact CB-CD1 3.52Å; E331-L407 HydrophobicContact CG-CD1 4.35Å; E331-R408 WeakPolarHBondContact O-CD 3.27Å; E331-R408 VanDerWaalsContact O-CG 3.23Å; E331-R408 WeakPolarHBondContact O-CG 3.2Å; E331-R408 PolarHBondContact O-NE 2.97Å; E331-R408 VanDerWaalsContact O-NE 3.09Å
332D96Very high96.8Very high11 Ų1124.5 Ų24.56%0.05915%0.153CC..EExtended strand (participates in β ladder)trans-93-57.1-173.2-56.30.6000109V259 K261 G262 L407 R408 L413V259-D332 HydrophobicContact CB-CB 4.43Å; V259-D332 HydrophobicContact CG1-CB 4.28Å; V259-D332 WeakPolarHBondContact O-CB 3.43Å; V259-D332 PolarHBondContact O-N 2.81Å; K261-D332 VanDerWaalsContact N-CG 3.33Å; K261-D332 PolarHBondContact N-OD1 3.45Å; K261-D332 PolarHBondContact N-OD2 3.26Å; G262-D332 PolarHBondContact N-OD2 2.83Å; D332-L407 PolarHBondContact O-N 2.93Å; D332-R408 VanDerWaalsContact CG-NH2 3.32Å; D332-R408 PolarHBondContact O-N 3.28Å; D332-R408 VanDerWaalsContact O-N 3.16Å; D332-R408 IonicContact OD1-CZ 2.71Å; D332-R408 IonicContact OD1-NE 3.08Å; D332-R408 IonicContact OD1-NH2 2.71Å; D332-R408 PolarHBondContact OD1-NH2 2.81Å; D332-R408 IonicContact OD2-NH2 3Å; D332-L413 HydrophobicContact CB-CD1 4.32Å; D332-L413 HydrophobicContact CB-CD2 3.7Å
333Y97.4Very high96.7Very high7 Ų728.8 Ų28.83%0.02717%0.174CC..EExtended strand (participates in β ladder)trans-162.9160.9-17951.7-93000110.4L258 V259 P351 V354 V404 V405 F406 L413L258-Y333 VanDerWaalsContact CD1-O 3.31Å; L258-Y333 WeakPolarHBondContact CD1-O 3.43Å; V259-Y333 HydrophobicContact CB-CD1 4.48Å; V259-Y333 HydrophobicContact CB-CD2 4.12Å; V259-Y333 HydrophobicContact CB-CE1 4.03Å; V259-Y333 HydrophobicContact CB-CE2 3.64Å; V259-Y333 HydrophobicContact CG1-CE1 4.11Å; V259-Y333 HydrophobicContact CG1-CE2 4.42Å; V259-Y333 HydrophobicContact CG2-CD2 4.13Å; V259-Y333 HydrophobicContact CG2-CE1 4.48Å; V259-Y333 HydrophobicContact CG2-CE2 3.34Å; V259-Y333 PolarHBondContact N-O 3.48Å; Y333-P351 WeakPolarHBondContact OH-CA 3.22Å; Y333-V354 HydrophobicContact CD1-CG1 4.33Å; Y333-V354 HydrophobicContact CE1-CB 4.3Å; Y333-V354 HydrophobicContact CE1-CG1 3.67Å; Y333-V354 HydrophobicContact CE2-CG1 4.44Å; Y333-V354 HydrophobicContact CE2-CG2 4.02Å; Y333-V354 WeakPolarHBondContact OH-CB 3.36Å; Y333-V404 HydrophobicContact CD2-CG1 3.95Å; Y333-V404 HydrophobicContact CG-CG1 4.01Å; Y333-V405 CarbonylContact C-O 3.55Å; Y333-V405 WeakPolarHBondContact CA-O 3.23Å; Y333-V405 WeakPolarHBondContact CB-O 3.34Å; Y333-F406 HydrophobicContact CD1-CD1 4.46Å; Y333-F406 HydrophobicContact CD1-CE1 4.45Å; Y333-L413 HydrophobicContact CD1-CD1 3.82Å; Y333-L413 HydrophobicContact CE1-CD1 4.31Å
334V98.1Very high96.7Very high0 Ų028.7 Ų28.70%018%0.175CC..EExtended strand (participates in β ladder)trans-109.4134163.659.80000108.8V239 L246 M257 L267 L336 V405V239-V334 HydrophobicContact CG1-CG1 4.48Å; V239-V334 HydrophobicContact CG2-CG2 4.24Å; L246-V334 HydrophobicContact CD1-CB 4.11Å; L246-V334 HydrophobicContact CD1-CG1 4.21Å; L246-V334 HydrophobicContact CD1-CG2 4.32Å; M257-V334 CarbonylContact O-C 3.03Å; M257-V334 WeakPolarHBondContact O-CA 3.1Å; M257-V334 WeakPolarHBondContact O-CG2 3.49Å; L267-V334 HydrophobicContact CD1-CG2 4.23Å; V334-L336 HydrophobicContact CG1-CD1 4.45Å; V334-L336 HydrophobicContact CG2-CD1 4.26Å; V334-V405 HydrophobicContact CG1-CB 3.72Å; V334-V405 HydrophobicContact CG1-CG1 4.4Å; V334-V405 HydrophobicContact CG1-CG2 4.26Å; V334-V405 PolarHBondContact N-O 2.73Å; V334-V405 PolarHBondContact O-N 3.23Å
335L98.6Very high96.7Very high0 Ų026.5 Ų26.50%016%0.162CC..EExtended strand (participates in β ladder)trans-110.2131.6175.6-178152.7000109.3A256 M257 A337 F341 F342 V350 L387 V402 M403 V404A256-L335 CarbonylContact C-O 3.56Å; A256-L335 WeakPolarHBondContact CA-O 3.48Å; M257-L335 HydrophobicContact CG-CB 3.93Å; M257-L335 HydrophobicContact CG-CD2 4.27Å; M257-L335 PolarHBondContact N-O 2.95Å; M257-L335 PolarHBondContact O-N 3.34Å; L335-A337 HydrophobicContact CD2-CB 3.95Å; L335-F341 HydrophobicContact CD2-CE1 4.36Å; L335-F342 HydrophobicContact CD2-CE1 4.39Å; L335-F342 HydrophobicContact CD2-CE2 4.05Å; L335-F342 HydrophobicContact CD2-CZ 3.53Å; L335-V350 HydrophobicContact CD1-CG1 3.69Å; L335-L387 HydrophobicContact CD1-CD1 3.71Å; L335-V402 HydrophobicContact CD1-CG1 4.01Å; L335-V402 HydrophobicContact CG-CG1 4.24Å; L335-M403 CarbonylContact C-O 3.5Å; L335-M403 VanDerWaalsContact CA-O 3.25Å; L335-M403 WeakPolarHBondContact CA-O 3.21Å; L335-V404 HydrophobicContact CD1-CG2 3.94Å; L335-V404 HydrophobicContact CG-CG2 4.28Å
336L98.8Very high96.6Very high0 Ų031 Ų310%018%0.179CC..EExtended strand (participates in β ladder)trans-117.2133.7170.7-58.283.8000108.6V175 V237 V239 Q255 A256 V334 M403 V405V175-L336 HydrophobicContact CG2-CB 3.86Å; V237-L336 HydrophobicContact CG1-CB 4.39Å; V237-L336 HydrophobicContact CG1-CD2 4.27Å; V239-L336 HydrophobicContact CB-CD2 4.3Å; V239-L336 HydrophobicContact CG2-CD1 4.24Å; V239-L336 HydrophobicContact CG2-CD2 3.87Å; V239-L336 HydrophobicContact CG2-CG 4.18Å; Q255-L336 WeakPolarHBondContact O-CA 3.43Å; A256-L336 HydrophobicContact CB-CG 4.09Å; V334-L336 HydrophobicContact CG1-CD1 4.45Å; V334-L336 HydrophobicContact CG2-CD1 4.26Å; L336-M403 HydrophobicContact CB-CB 4.41Å; L336-M403 HydrophobicContact CD1-SD 4.46Å; L336-M403 PolarHBondContact N-O 3.43Å; L336-M403 PolarHBondContact O-N 2.85Å; L336-V405 HydrophobicContact CD1-CG2 4.48Å
337A98.7Very high96.5Very high0 Ų028.5 Ų28.50%017%0.172CC..EExtended strand (participates in β ladder)trans-154.1157.4174.500000112.8S254 Q255 L335 F341 F342 T401 V402S254-A337 WeakPolarHBondContact CA-O 3.36Å; Q255-A337 PolarHBondContact N-O 2.67Å; Q255-A337 PolarHBondContact O-N 3.31Å; L335-A337 HydrophobicContact CD2-CB 3.95Å; A337-F341 HydrophobicContact CB-CB 3.75Å; A337-F341 HydrophobicContact CB-CD1 3.87Å; A337-F341 HydrophobicContact CB-CG 4.01Å; A337-F342 HydrophobicContact CB-CD2 3.94Å; A337-F342 HydrophobicContact CB-CE2 3.59Å; A337-F342 HydrophobicContact CB-CZ 4.39Å; A337-T401 WeakPolarHBondContact CA-O 3.44Å; A337-T401 VanDerWaalsContact CB-O 3.22Å; A337-T401 WeakPolarHBondContact CB-O 3.2Å; A337-V402 HydrophobicContact CB-CB 4.49Å; A337-V402 HydrophobicContact CB-CG2 4.09Å
338C98.6Very high96.6Very high0 Ų031.5 Ų31.50%020%0.195CC..  trans-76.2174.6170.961.90000112.1D150 V175 D177 G340 F341 F342 T401D150-C338 PolarHBondContact OD2-SG 2.96Å; V175-C338 HydrophobicContact CG1-CB 4.31Å; D177-C338 HydrophobicContact CB-CB 4Å; D177-C338 WeakPolarHBondContact OD2-CB 3.5Å; C338-G340 PolarHBondContact O-N 3.3Å; C338-F341 PolarHBondContact O-N 3.34Å; C338-F341 VanDerWaalsContact O-N 3.14Å; C338-F342 PolarHBondContact O-N 3.1Å; C338-T401 PolarHBondContact N-O 2.91Å; C338-T401 PolarHBondContact SG-N 3.43Å
339D97.3Very high96.7Very high25 Ų2531.4 Ų31.413%0.13419%0.185CC..Hα-helixtrans-62.7-29.517970.9-10.1000112.1D177 F341 F342 D343D177-D339 VanDerWaalsContact OD2-OD1 3.09Å; D339-F341 CarbonylContact O-C 3.5Å; D339-F341 PolarHBondContact O-N 3.18Å; D339-F342 PolarHBondContact O-N 2.85Å; D339-F342 VanDerWaalsContact O-N 3.07Å; D339-D343 VanDerWaalsContact O-CB 3.28Å; D339-D343 WeakPolarHBondContact O-CB 3.25Å; D339-D343 PolarHBondContact O-N 3.47Å
340G97.8Very high97Very high2 Ų228.6 Ų28.62%0.02116%0.156CC..Hα-helixtrans-57.2-19.3174.400000114.1C338 S396 N399C338-G340 PolarHBondContact O-N 3.3Å; G340-S396 WeakPolarHBondContact O-CB 3Å; G340-S396 PolarHBondContact O-OG 3.48Å; G340-N399 WeakPolarHBondContact CA-O 3.21Å
341F98.5Very high97.1Very high0 Ų027.8 Ų27.80%015%0.153CC..Hα-helixtrans-93-55.4165.8-178.5-99.6000111.9L335 A337 C338 D339 D343 A344 I345 V350 L387 A391 I400 V402L335-F341 HydrophobicContact CD2-CE1 4.36Å; A337-F341 HydrophobicContact CB-CB 3.75Å; A337-F341 HydrophobicContact CB-CD1 3.87Å; A337-F341 HydrophobicContact CB-CG 4.01Å; C338-F341 PolarHBondContact O-N 3.34Å; C338-F341 VanDerWaalsContact O-N 3.14Å; D339-F341 CarbonylContact O-C 3.5Å; D339-F341 PolarHBondContact O-N 3.18Å; F341-D343 VanDerWaalsContact C-N 3.32Å; F341-D343 PolarHBondContact O-N 2.88Å; F341-A344 PolarHBondContact O-N 3.24Å; F341-I345 HydrophobicContact CD2-CG1 4.25Å; F341-I345 HydrophobicContact CE1-CB 4.05Å; F341-I345 HydrophobicContact CE1-CG2 4.09Å; F341-I345 HydrophobicContact CE2-CB 4.1Å; F341-I345 HydrophobicContact CE2-CG1 3.82Å; F341-I345 HydrophobicContact CE2-CG2 4.34Å; F341-I345 HydrophobicContact CZ-CB 3.83Å; F341-I345 HydrophobicContact CZ-CG1 4.06Å; F341-I345 HydrophobicContact CZ-CG2 3.72Å; F341-I345 PolarHBondContact O-N 3.22Å; F341-V350 HydrophobicContact CE1-CG2 3.87Å; F341-V350 HydrophobicContact CZ-CG2 4.08Å; F341-L387 HydrophobicContact CE2-CB 3.9Å; F341-L387 HydrophobicContact CZ-CB 4.46Å; F341-A391 HydrophobicContact CD2-CB 3.68Å; F341-A391 HydrophobicContact CE2-CB 4.24Å; F341-I400 HydrophobicContact CB-CG2 4.13Å; F341-V402 HydrophobicContact CB-CG2 3.94Å; F341-V402 HydrophobicContact CD2-CG2 3.46Å; F341-V402 VanDerWaalsContact CD2-CG2 3.46Å; F341-V402 HydrophobicContact CE2-CG2 4.11Å; F341-V402 HydrophobicContact CG-CG2 3.72Å
342F97.1Very high97.1Very high16 Ų1632.8 Ų32.87%0.0718%0.18CC..Hα-helixtrans-72.8-16.7-169.2-77.6-64.7000115.5Q255 M257 L335 A337 C338 D339 A344 P347Q255-F342 HydrophobicContact CB-CD2 3.73Å; Q255-F342 HydrophobicContact CB-CE2 3.53Å; Q255-F342 HydrophobicContact CB-CG 4.45Å; Q255-F342 HydrophobicContact CB-CZ 4.1Å; Q255-F342 HydrophobicContact CG-CD2 3.72Å; Q255-F342 HydrophobicContact CG-CE2 4.08Å; Q255-F342 HydrophobicContact CG-CG 4.18Å; M257-F342 HydrophobicContact CG-CZ 4.25Å; M257-F342 HydrophobicContact SD-CE1 3.95Å; M257-F342 HydrophobicContact SD-CZ 4.17Å; L335-F342 HydrophobicContact CD2-CE1 4.39Å; L335-F342 HydrophobicContact CD2-CE2 4.05Å; L335-F342 HydrophobicContact CD2-CZ 3.53Å; A337-F342 HydrophobicContact CB-CD2 3.94Å; A337-F342 HydrophobicContact CB-CE2 3.59Å; A337-F342 HydrophobicContact CB-CZ 4.39Å; C338-F342 PolarHBondContact O-N 3.1Å; D339-F342 PolarHBondContact O-N 2.85Å; D339-F342 VanDerWaalsContact O-N 3.07Å; F342-A344 VanDerWaalsContact C-N 3.32Å; F342-P347 HydrophobicContact CD1-CG 4.29Å; F342-P347 HydrophobicContact CE1-CG 4.31Å
343D95.6Very high97.1Very high112 Ų11233.7 Ų33.760%0.59918%0.184SC*.THydrogen-bonded Turntrans-76.5-22.7170.4-81.5-0.8000112.1D339 F341D339-D343 VanDerWaalsContact O-CB 3.28Å; D339-D343 WeakPolarHBondContact O-CB 3.25Å; D339-D343 PolarHBondContact O-N 3.47Å; F341-D343 VanDerWaalsContact C-N 3.32Å; F341-D343 PolarHBondContact O-N 2.88Å
344A97.2Very high97.1Very high29 Ų2933.4 Ų33.424%0.2418%0.183CC..THydrogen-bonded Turntrans-100.5-33.4-179.900000113.1F341 F342 A391 A394F341-A344 PolarHBondContact O-N 3.24Å; F342-A344 VanDerWaalsContact C-N 3.32Å; A344-A391 HydrophobicContact CB-CB 4.46Å; A344-A394 HydrophobicContact CB-CB 4.04Å
345I97.7Very high96.9Very high12 Ų1234 Ų346%0.06219%0.188CC..SBendtrans-119.2127.5-175.2-56.3-60.9000110F341 E349 V350 L353 A391 A394F341-I345 HydrophobicContact CD2-CG1 4.25Å; F341-I345 HydrophobicContact CE1-CB 4.05Å; F341-I345 HydrophobicContact CE1-CG2 4.09Å; F341-I345 HydrophobicContact CE2-CB 4.1Å; F341-I345 HydrophobicContact CE2-CG1 3.82Å; F341-I345 HydrophobicContact CE2-CG2 4.34Å; F341-I345 HydrophobicContact CZ-CB 3.83Å; F341-I345 HydrophobicContact CZ-CG1 4.06Å; F341-I345 HydrophobicContact CZ-CG2 3.72Å; F341-I345 PolarHBondContact O-N 3.22Å; I345-E349 HydrophobicContact CG2-CB 4.32Å; I345-V350 HydrophobicContact CG2-CG2 4.12Å; I345-L353 HydrophobicContact CD1-CD1 4.27Å; I345-L353 HydrophobicContact CG2-CD1 3.68Å; I345-A391 HydrophobicContact CG1-CB 4.04Å; I345-A394 HydrophobicContact CD1-CB 3.83Å
346K95.9Very high96.6Very high134 Ų13438.6 Ų38.658%0.58321%0.21SC*.  trans-77.5145.5177.9-62.2174-176.7168.10110.4S348 E349K346-S348 PolarHBondContact O-N 2.89Å; K346-E349 HydrophobicContact CB-CG 4.23Å; K346-E349 VanDerWaalsContact CB-OE2 3.28Å; K346-E349 WeakPolarHBondContact CB-OE2 3.35Å; K346-E349 PolarHBondContact N-OE2 2.93Å; K346-E349 WeakPolarHBondContact O-CB 3.21Å; K346-E349 PolarHBondContact O-N 3.44Å
347P95.2Very high96.3Very high50 Ų5039 Ų3933%0.32521%0.213SC..G310 helixtrans-52.7-35.1176.5-29.135.5000113.9M257 V264 F342 E349 V350M257-P347 HydrophobicContact SD-CB 4.18Å; V264-P347 HydrophobicContact CG1-CB 4.36Å; V264-P347 VanDerWaalsContact CG2-O 3.31Å; V264-P347 WeakPolarHBondContact CG2-O 3.32Å; F342-P347 HydrophobicContact CD1-CG 4.29Å; F342-P347 HydrophobicContact CE1-CG 4.31Å; P347-E349 VanDerWaalsContact C-N 3.25Å; P347-E349 PolarHBondContact O-N 2.96Å; P347-V350 WeakPolarHBondContact O-CB 3.3Å; P347-V350 PolarHBondContact O-N 3.38Å
348S96Very high96Very high83 Ų8339.2 Ų39.258%0.5821%0.214SC*.G310 helixtrans-66.4-21.1178.6570000114.8K346K346-S348 PolarHBondContact O-N 2.89Å
349E96.3Very high95.4Very high84 Ų8445 Ų4539%0.39324%0.236SC..G310 helixtrans-89.2-19.9-179.1-62.4169.5135.400111.6I345 K346 P347 D352 L353I345-E349 HydrophobicContact CG2-CB 4.32Å; K346-E349 HydrophobicContact CB-CG 4.23Å; K346-E349 VanDerWaalsContact CB-OE2 3.28Å; K346-E349 WeakPolarHBondContact CB-OE2 3.35Å; K346-E349 PolarHBondContact N-OE2 2.93Å; K346-E349 WeakPolarHBondContact O-CB 3.21Å; K346-E349 PolarHBondContact O-N 3.44Å; P347-E349 VanDerWaalsContact C-N 3.25Å; P347-E349 PolarHBondContact O-N 2.96Å; E349-D352 PolarHBondContact O-N 2.74Å; E349-L353 WeakPolarHBondContact O-CG 3.48Å; E349-L353 PolarHBondContact O-N 3.37Å
350V96.9Very high94.3Very high0 Ų045.4 Ų45.40%025%0.246CC..Hα-helixtrans-57.2-43.9-176.5172.30000113.4M257 L335 F341 I345 P347 D352 L353 V354M257-V350 HydrophobicContact CE-CB 3.73Å; M257-V350 HydrophobicContact CE-CG1 3.75Å; M257-V350 HydrophobicContact CE-CG2 4.25Å; M257-V350 HydrophobicContact SD-CB 3.9Å; M257-V350 HydrophobicContact SD-CG1 3.89Å; M257-V350 HydrophobicContact SD-CG2 3.77Å; L335-V350 HydrophobicContact CD1-CG1 3.69Å; F341-V350 HydrophobicContact CE1-CG2 3.87Å; F341-V350 HydrophobicContact CZ-CG2 4.08Å; I345-V350 HydrophobicContact CG2-CG2 4.12Å; P347-V350 WeakPolarHBondContact O-CB 3.3Å; P347-V350 PolarHBondContact O-N 3.38Å; V350-D352 VanDerWaalsContact C-N 3.31Å; V350-D352 PolarHBondContact O-N 3.22Å; V350-L353 PolarHBondContact O-N 3.35Å; V350-V354 HydrophobicContact CG1-CG2 4.12Å; V350-V354 WeakPolarHBondContact O-CG2 3.44Å; V350-V354 PolarHBondContact O-N 3.24Å
351P96.8Very high92.5Very high16 Ų1647.2 Ų47.210%0.10426%0.261CS..Hα-helixtrans-56.6-43.4179.6-26.936.6000114V259 V264 Y333 A355V259-P351 HydrophobicContact CG1-CG 4.4Å; V259-P351 HydrophobicContact CG2-CG 4.27Å; V264-P351 HydrophobicContact CG2-CG 3.74Å; Y333-P351 WeakPolarHBondContact OH-CA 3.22Å; P351-A355 WeakPolarHBondContact O-CB 3.46Å; P351-A355 PolarHBondContact O-N 2.68Å
352D95.6Very high90.2Very high108 Ų10853.4 Ų53.458%0.57829%0.294SS*.Hα-helixtrans-67.5-44.8-180-65.9-33.3000110.9E349 V350 V354 A355 E356E349-D352 PolarHBondContact O-N 2.74Å; V350-D352 VanDerWaalsContact C-N 3.31Å; V350-D352 PolarHBondContact O-N 3.22Å; D352-V354 PolarHBondContact O-N 3.36Å; D352-A355 PolarHBondContact O-N 3.43Å; D352-E356 WeakPolarHBondContact O-CG 3.33Å; D352-E356 PolarHBondContact O-N 3.19Å
353L96.1Very high87.6Confident30 Ų3059 Ų5916%0.15733%0.325CS..Hα-helixtrans-62.6-40.9178.4-65.2174.4000112.4I345 E349 V350 E356 A357 L387 D390I345-L353 HydrophobicContact CD1-CD1 4.27Å; I345-L353 HydrophobicContact CG2-CD1 3.68Å; E349-L353 WeakPolarHBondContact O-CG 3.48Å; E349-L353 PolarHBondContact O-N 3.37Å; V350-L353 PolarHBondContact O-N 3.35Å; L353-E356 PolarHBondContact O-N 3.41Å; L353-A357 VanDerWaalsContact O-CB 3.3Å; L353-A357 WeakPolarHBondContact O-CB 3.31Å; L353-A357 PolarHBondContact O-N 3.33Å; L353-L387 HydrophobicContact CB-CD2 3.47Å; L353-L387 VanDerWaalsContact CB-CD2 3.47Å; L353-L387 HydrophobicContact CD1-CD2 4.29Å; L353-D390 HydrophobicContact CD2-CB 4.43Å
354V96Very high85.3Confident1 Ų157.8 Ų57.81%0.00633%0.325CS..Hα-helixtrans-64.7-44.3175170.70000110.7Y333 V350 D352 E356 A357 L358 V383 L387Y333-V354 HydrophobicContact CD1-CG1 4.33Å; Y333-V354 HydrophobicContact CE1-CB 4.3Å; Y333-V354 HydrophobicContact CE1-CG1 3.67Å; Y333-V354 HydrophobicContact CE2-CG1 4.44Å; Y333-V354 HydrophobicContact CE2-CG2 4.02Å; Y333-V354 WeakPolarHBondContact OH-CB 3.36Å; V350-V354 HydrophobicContact CG1-CG2 4.12Å; V350-V354 WeakPolarHBondContact O-CG2 3.44Å; V350-V354 PolarHBondContact O-N 3.24Å; D352-V354 PolarHBondContact O-N 3.36Å; V354-E356 VanDerWaalsContact C-N 3.35Å; V354-E356 PolarHBondContact O-N 3.25Å; V354-A357 PolarHBondContact O-N 3.5Å; V354-L358 HydrophobicContact CG1-CD1 3.94Å; V354-L358 HydrophobicContact CG1-CG 4.32Å; V354-L358 WeakPolarHBondContact O-CB 3.24Å; V354-L358 VanDerWaalsContact O-CG 3.25Å; V354-L358 WeakPolarHBondContact O-CG 3.32Å; V354-L358 PolarHBondContact O-N 3.17Å; V354-V383 HydrophobicContact CB-CG1 4.44Å; V354-V383 HydrophobicContact CG1-CG1 4.1Å; V354-V383 HydrophobicContact CG2-CG1 4.13Å; V354-L387 HydrophobicContact CG2-CD1 3.93Å; V354-L387 HydrophobicContact CG2-CD2 4.33Å
355A93.6Very high82.7Confident13 Ų1365.7 Ų65.711%0.10736%0.357CS..Hα-helixtrans-63.2-40.7178.400000112P351 D352 L358 R359P351-A355 WeakPolarHBondContact O-CB 3.46Å; P351-A355 PolarHBondContact O-N 2.68Å; D352-A355 PolarHBondContact O-N 3.43Å; A355-L358 PolarHBondContact O-N 2.88Å; A355-R359 WeakPolarHBondContact O-CG 3.3Å; A355-R359 PolarHBondContact O-N 2.71Å
356E92.8Very high79.9Confident96 Ų9671.4 Ų71.445%0.44939%0.393SS..Hα-helixtrans-63.4-44.6173-73.6-178.2-179.200112.4D352 L353 V354 L358 R359 G360D352-E356 WeakPolarHBondContact O-CG 3.33Å; D352-E356 PolarHBondContact O-N 3.19Å; L353-E356 PolarHBondContact O-N 3.41Å; V354-E356 VanDerWaalsContact C-N 3.35Å; V354-E356 PolarHBondContact O-N 3.25Å; E356-L358 VanDerWaalsContact C-N 3.29Å; E356-L358 PolarHBondContact O-N 3.24Å; E356-R359 PolarHBondContact O-N 2.83Å; E356-G360 PolarHBondContact O-N 3.34Å
357A93.3Very high77.2Confident8 Ų869.2 Ų69.27%0.06641%0.408CS..Hα-helixtrans-63.3-36.5177.600000112.2L353 V354 A361 V383 R386L353-A357 VanDerWaalsContact O-CB 3.3Å; L353-A357 WeakPolarHBondContact O-CB 3.31Å; L353-A357 PolarHBondContact O-N 3.33Å; V354-A357 PolarHBondContact O-N 3.5Å; A357-A361 PolarHBondContact O-N 2.96Å; A357-V383 HydrophobicContact CB-CB 4.33Å; A357-V383 HydrophobicContact CB-CG1 4.18Å; A357-V383 HydrophobicContact CB-CG2 4.03Å; A357-R386 HydrophobicContact CB-CB 3.81Å; A357-R386 HydrophobicContact CB-CG 3.76Å
358L91.3Very high74.2Confident4 Ų470.1 Ų70.12%0.02143%0.427CS..Hα-helixtrans-67.5-38.9174.6-72.8172.5000112.3V354 A355 E356 V379 V383 F406 P410 L413 L414V354-L358 HydrophobicContact CG1-CD1 3.94Å; V354-L358 HydrophobicContact CG1-CG 4.32Å; V354-L358 WeakPolarHBondContact O-CB 3.24Å; V354-L358 VanDerWaalsContact O-CG 3.25Å; V354-L358 WeakPolarHBondContact O-CG 3.32Å; V354-L358 PolarHBondContact O-N 3.17Å; A355-L358 PolarHBondContact O-N 2.88Å; E356-L358 VanDerWaalsContact C-N 3.29Å; E356-L358 PolarHBondContact O-N 3.24Å; L358-V379 HydrophobicContact CD2-CG1 4.08Å; L358-V383 HydrophobicContact CD2-CG2 3.58Å; L358-V383 HydrophobicContact CG-CG2 3.88Å; L358-F406 HydrophobicContact CD1-CE1 4.36Å; L358-F406 HydrophobicContact CD2-CE1 4.28Å; L358-F406 HydrophobicContact CD2-CZ 4.11Å; L358-P410 HydrophobicContact CD2-CB 3.72Å; L358-L413 HydrophobicContact CD1-CB 4.13Å; L358-L413 HydrophobicContact CD1-CD1 4.18Å; L358-L414 HydrophobicContact CB-CD1 4.25Å; L358-L414 HydrophobicContact CB-CD2 3.59Å; L358-L414 HydrophobicContact CB-CG 3.99Å
359R86.9Confident71.3Confident121 Ų12172.1 Ų72.146%0.45744%0.441SS..Hα-helixtrans-69.2-41.6175.9-74.2-176.9-76.6-100.40.8112.4A355 E356 A361 D362 L414A355-R359 WeakPolarHBondContact O-CG 3.3Å; A355-R359 PolarHBondContact O-N 2.71Å; E356-R359 PolarHBondContact O-N 2.83Å; R359-A361 PolarHBondContact O-N 3.2Å; R359-D362 PolarHBondContact O-N 2.61Å; R359-L414 HydrophobicContact CB-CD2 4.48Å; R359-L414 HydrophobicContact CG-CD2 3.52Å
360G72.9Confident68.1Low35 Ų3575.5 Ų75.536%0.36146%0.461SS..G310 helixtrans-73.1-6.8-178.200000115E356 D362E356-G360 PolarHBondContact O-N 3.34Å; G360-D362 VanDerWaalsContact C-N 3.28Å
361A60.1Low64.8Low39 Ų3980.6 Ų80.632%0.32249%0.494SS..G310 helixtrans-73.6-18.2174.500000113.1A357 R359A357-A361 PolarHBondContact O-N 2.96Å; R359-A361 PolarHBondContact O-N 3.2Å
362D50.4Low62Low131 Ų13185.6 Ų85.670%0.70153%0.526SS*.G310 helixtrans-82.2-12.4176.5-93.4-15.9000113.6R359 G360R359-D362 PolarHBondContact O-N 2.61Å; G360-D362 VanDerWaalsContact C-N 3.28Å
363D44.1Very low59.1Low134 Ų13488.1 Ų88.172%0.71753%0.534SS*.  trans-102.19.2-169-79.5-23.9000115.2E365D363-E365 VanDerWaalsContact C-N 3.3Å; D363-E365 PolarHBondContact O-N 3.48Å
364S46.6Very low56.2Low86 Ų8694.6 Ų94.660%0.60156%0.564SS**  trans-8071.3-178.663.30000113.9
365E41.4Very low53.3Low194 Ų19497.7 Ų97.791%0.90759%0.589SS**  trans-9710.1158.1-90.6-150.1164.100113.5D363D363-E365 VanDerWaalsContact C-N 3.3Å; D363-E365 PolarHBondContact O-N 3.48Å
366T40.8Very low50.7Low132 Ų132104.1 Ų104.181%0.8162%0.617SS**SBendtrans-100.7115.8179.845.10000113.1
367G38.6Very low48.5Very low88 Ų88106 Ų10691%0.90763%0.63SS**  trans-64.2135.2-171.800000115.8
368G32.7Very low47.1Very low70 Ų70107.3 Ų107.372%0.72264%0.644SS**  trans-153.2106.4163.900000107.1L370G368-L370 PolarHBondContact O-N 3.36Å
369S34.4Very low46.4Very low125 Ų125109.4 Ų109.487%0.87466%0.658SS**  trans-63.799.6-17344.30000112.7
370L29.2Very low46.2Very low155 Ų155103.7 Ų103.781%0.81264%0.636SS**  trans-125.4142.8153.3-79.4160000107.6G368G368-L370 PolarHBondContact O-N 3.36Å
371P28.4Very low46.8Very low107 Ų107106.1 Ų106.170%0.69564%0.638SS**  trans-66.4140.2-173.5-8.623.2000110.6E373P371-E373 PolarHBondContact O-N 3.1Å; P371-E373 VanDerWaalsContact O-N 3.11Å
372P37.3Very low48.3Very low121 Ų121110.8 Ų110.879%0.78665%0.647SS**  trans-82.589.3177.933.3-30.1000109
373E33.3Very low50.4Low160 Ų160104.7 Ų104.775%0.74862%0.615SS**SBendtrans-125.6105.8163.6-66.9-170.3172.900106.8P371P371-E373 PolarHBondContact O-N 3.1Å; P371-E373 VanDerWaalsContact O-N 3.11Å
374H35.6Very low53Low167 Ų16798.3 Ų98.377%0.77358%0.58SS**SBendtrans91.236.7176.3-43.1-64.2000119
375A36.3Very low55.4Low65 Ų6597.8 Ų97.854%0.53757%0.569SS.*  trans-97.190.6166.300000110.7D377A375-D377 PolarHBondContact O-N 3.26Å; A375-D377 VanDerWaalsContact O-N 3.08Å
376E38.9Very low58Low149 Ų14994.4 Ų94.470%0.69655%0.547SS*.  trans-72.780.5149.5-69.8-165.9160.100106.7G378E376-G378 PolarHBondContact O-N 2.95Å
377D46.3Very low60.8Low134 Ų13488.1 Ų88.172%0.71751%0.509SS*.  trans-68.670.2178.6-80.7-34.2000110.4A375A375-D377 PolarHBondContact O-N 3.26Å; A375-D377 VanDerWaalsContact O-N 3.08Å
378G62.7Low63.6Low36 Ų3684 Ų8437%0.37147%0.467SS..  trans-92.3141.3170.800000111.2E376 G380 H381E376-G378 PolarHBondContact O-N 2.95Å; G378-G380 PolarHBondContact O-N 3.03Å; G378-H381 PolarHBondContact O-N 2.94Å; G378-H381 PolarHBondContact O-ND1 3.26Å
379V78.3Confident66.7Low49 Ų4982.2 Ų82.230%0.29745%0.448SS..THydrogen-bonded Turntrans-42.9127.4173.2-177.80000110.1Q135 L358 P410 L414Q135-V379 PolarHBondContact NE2-O 3.38Å; L358-V379 HydrophobicContact CD2-CG1 4.08Å; V379-P410 HydrophobicContact CB-CB 4.43Å; V379-P410 HydrophobicContact CG1-CB 3.94Å; V379-P410 WeakPolarHBondContact O-CB 3.17Å; V379-P410 WeakPolarHBondContact O-CG 3.15Å; V379-L414 HydrophobicContact CG1-CD1 4.23Å
380G82.1Confident69.7Low1 Ų177.7 Ų77.71%0.0141%0.414CS..THydrogen-bonded Turntrans102.6-19.3177.300000116.4S137 G378 R382 V383S137-G380 VanDerWaalsContact CB-O 3.28Å; S137-G380 WeakPolarHBondContact CB-O 3.48Å; S137-G380 PolarHBondContact OG-O 3.49Å; G378-G380 PolarHBondContact O-N 3.03Å; G380-R382 VanDerWaalsContact C-N 3.31Å; G380-R382 PolarHBondContact O-N 2.88Å; G380-V383 WeakPolarHBondContact O-CG2 3.11Å; G380-V383 PolarHBondContact O-N 2.73Å
381H85.6Confident73Confident86 Ų8670.3 Ų70.340%0.39838%0.375SS..THydrogen-bonded Turntrans-62.2-33-175.8-85.487.1000114.5Q135 S137 G378Q135-H381 PolarHBondContact NE2-ND1 2.97Å; S137-H381 WeakPolarHBondContact CB-O 3.49Å; S137-H381 PolarHBondContact OG-O 3.49Å; G378-H381 PolarHBondContact O-N 2.94Å; G378-H381 PolarHBondContact O-ND1 3.26Å
382R90.6Very high76.3Confident137 Ų13770.1 Ų70.152%0.51736%0.363SS..THydrogen-bonded Turntrans-97.47.5-176.8-61.1-169.666.4-159-0114.7G380 A384 E385 R386G380-R382 VanDerWaalsContact C-N 3.31Å; G380-R382 PolarHBondContact O-N 2.88Å; R382-A384 PolarHBondContact O-N 3.34Å; R382-E385 IonicContact CZ-OE1 3.05Å; R382-E385 IonicContact CZ-OE2 3.72Å; R382-E385 VanDerWaalsContact CZ-OE2 3.26Å; R382-E385 IonicContact NE-OE2 2.84Å; R382-E385 PolarHBondContact NE-OE2 3.2Å; R382-E385 IonicContact NH2-OE1 2.68Å; R382-E385 PolarHBondContact NH2-OE1 3.24Å; R382-E385 IonicContact NH2-OE2 3.74Å; R382-E385 PolarHBondContact NH2-OE2 3.46Å; R382-E385 PolarHBondContact O-N 3.19Å; R382-R386 PolarHBondContact O-N 3.26Å
383V95.9Very high79.2Confident2 Ų268.6 Ų68.61%0.01236%0.361CS..Hα-helixtrans-60.8-47.7-177.3169.90000111.4S137 V354 A357 L358 G380 E385 R386 L387 V404 F406S137-V383 PolarHBondContact OG-N 3.13Å; V354-V383 HydrophobicContact CB-CG1 4.44Å; V354-V383 HydrophobicContact CG1-CG1 4.1Å; V354-V383 HydrophobicContact CG2-CG1 4.13Å; A357-V383 HydrophobicContact CB-CB 4.33Å; A357-V383 HydrophobicContact CB-CG1 4.18Å; A357-V383 HydrophobicContact CB-CG2 4.03Å; L358-V383 HydrophobicContact CD2-CG2 3.58Å; L358-V383 HydrophobicContact CG-CG2 3.88Å; G380-V383 WeakPolarHBondContact O-CG2 3.11Å; G380-V383 PolarHBondContact O-N 2.73Å; V383-E385 VanDerWaalsContact C-N 3.3Å; V383-E385 PolarHBondContact O-N 2.95Å; V383-R386 PolarHBondContact O-N 3.29Å; V383-L387 HydrophobicContact CG1-CD1 4.09Å; V383-L387 HydrophobicContact CG1-CG 4.35Å; V383-L387 WeakPolarHBondContact O-CG 3.49Å; V383-L387 PolarHBondContact O-N 2.87Å; V383-V404 HydrophobicContact CG1-CG2 4.08Å; V383-F406 HydrophobicContact CB-CZ 4.28Å; V383-F406 HydrophobicContact CG1-CZ 4.46Å; V383-F406 HydrophobicContact CG2-CZ 4.06Å
384A97.5Very high82.2Confident0 Ų063.8 Ų63.80%035%0.348CS..Hα-helixtrans-62.7-36.6178.600000112.7S137 H139 R382 R386 L387 V388 V402S137-A384 VanDerWaalsContact OG-CB 3.32Å; S137-A384 WeakPolarHBondContact OG-CB 3.36Å; S137-A384 PolarHBondContact OG-N 2.9Å; H139-A384 HydrophobicContact CB-CB 3.89Å; R382-A384 PolarHBondContact O-N 3.34Å; A384-R386 VanDerWaalsContact C-N 3.35Å; A384-L387 PolarHBondContact O-N 2.84Å; A384-V388 VanDerWaalsContact O-CG2 3.3Å; A384-V388 WeakPolarHBondContact O-CG2 3.18Å; A384-V388 PolarHBondContact O-N 3.21Å; A384-V402 HydrophobicContact CB-CB 4.41Å; A384-V402 HydrophobicContact CB-CG1 4.37Å; A384-V402 WeakPolarHBondContact CB-O 3.41Å
385E97.1Very high85.2Confident76 Ų7658.6 Ų58.636%0.35534%0.341SS..Hα-helixtrans-62.6-43.1175.8-175-171.1174.900111.3H139 R382 V383 V388 G389H139-E385 HydrophobicContact CB-CB 4.19Å; R382-E385 IonicContact CZ-OE1 3.05Å; R382-E385 IonicContact CZ-OE2 3.72Å; R382-E385 VanDerWaalsContact CZ-OE2 3.26Å; R382-E385 IonicContact NE-OE2 2.84Å; R382-E385 PolarHBondContact NE-OE2 3.2Å; R382-E385 IonicContact NH2-OE1 2.68Å; R382-E385 PolarHBondContact NH2-OE1 3.24Å; R382-E385 IonicContact NH2-OE2 3.74Å; R382-E385 PolarHBondContact NH2-OE2 3.46Å; R382-E385 PolarHBondContact O-N 3.19Å; V383-E385 VanDerWaalsContact C-N 3.3Å; V383-E385 PolarHBondContact O-N 2.95Å; E385-V388 PolarHBondContact O-N 3.05Å; E385-G389 PolarHBondContact O-N 3.13Å
386R97Very high88.1Confident122 Ų12256.3 Ų56.346%0.4632%0.321SS..Hα-helixtrans-63.9-47176.9-177.853.6177.8-95.2-4.7111.7A357 R382 V383 A384 V388 G389 D390A357-R386 HydrophobicContact CB-CB 3.81Å; A357-R386 HydrophobicContact CB-CG 3.76Å; R382-R386 PolarHBondContact O-N 3.26Å; V383-R386 PolarHBondContact O-N 3.29Å; A384-R386 VanDerWaalsContact C-N 3.35Å; R386-V388 VanDerWaalsContact C-N 3.31Å; R386-V388 PolarHBondContact O-N 2.95Å; R386-G389 CarbonylContact O-C 3.59Å; R386-G389 VanDerWaalsContact O-CA 3.28Å; R386-G389 WeakPolarHBondContact O-CA 3.43Å; R386-G389 PolarHBondContact O-N 3.42Å; R386-D390 IonicContact NE-OD1 3.28Å; R386-D390 PolarHBondContact NE-OD1 3.15Å; R386-D390 IonicContact NE-OD2 3.29Å; R386-D390 VanDerWaalsContact O-CG 3.29Å; R386-D390 PolarHBondContact O-N 3.5Å
387L98.1Very high90.8Very high0 Ų052.8 Ų52.80%031%0.313CS..Hα-helixtrans-59.6-39.8177.3-68179.6000112.7L335 F341 L353 V354 V383 A384 G389 D390 A391 V402 V404L335-L387 HydrophobicContact CD1-CD1 3.71Å; F341-L387 HydrophobicContact CE2-CB 3.9Å; F341-L387 HydrophobicContact CZ-CB 4.46Å; L353-L387 HydrophobicContact CB-CD2 3.47Å; L353-L387 VanDerWaalsContact CB-CD2 3.47Å; L353-L387 HydrophobicContact CD1-CD2 4.29Å; V354-L387 HydrophobicContact CG2-CD1 3.93Å; V354-L387 HydrophobicContact CG2-CD2 4.33Å; V383-L387 HydrophobicContact CG1-CD1 4.09Å; V383-L387 HydrophobicContact CG1-CG 4.35Å; V383-L387 WeakPolarHBondContact O-CG 3.49Å; V383-L387 PolarHBondContact O-N 2.87Å; A384-L387 PolarHBondContact O-N 2.84Å; L387-G389 VanDerWaalsContact C-N 3.31Å; L387-G389 PolarHBondContact O-N 3.16Å; L387-D390 PolarHBondContact O-N 2.78Å; L387-A391 PolarHBondContact O-N 2.81Å; L387-V402 HydrophobicContact CB-CG1 4.15Å; L387-V402 HydrophobicContact CD1-CG1 3.81Å; L387-V404 HydrophobicContact CD1-CG2 3.87Å
388V98.2Very high93.3Very high3 Ų347.4 Ų47.42%0.01828%0.284CS..Hα-helixtrans-61.4-42171.7167.20000110.7H139 I141 A384 E385 R386 D390 A391 K392 I400 V402H139-V388 HydrophobicContact CB-CG2 4.14Å; I141-V388 HydrophobicContact CD1-CG1 3.39Å; I141-V388 HydrophobicContact CG1-CG1 3.6Å; I141-V388 HydrophobicContact CG2-CG1 4.26Å; A384-V388 VanDerWaalsContact O-CG2 3.3Å; A384-V388 WeakPolarHBondContact O-CG2 3.18Å; A384-V388 PolarHBondContact O-N 3.21Å; E385-V388 PolarHBondContact O-N 3.05Å; R386-V388 VanDerWaalsContact C-N 3.31Å; R386-V388 PolarHBondContact O-N 2.95Å; V388-D390 VanDerWaalsContact C-N 3.35Å; V388-D390 PolarHBondContact O-N 2.81Å; V388-A391 PolarHBondContact O-N 2.82Å; V388-K392 HydrophobicContact CG1-CD 4.43Å; V388-K392 VanDerWaalsContact O-CG 3.3Å; V388-K392 WeakPolarHBondContact O-CG 3.4Å; V388-K392 PolarHBondContact O-N 3.33Å; V388-K392 VanDerWaalsContact O-N 3.09Å; V388-I400 HydrophobicContact CB-CG2 4.43Å; V388-I400 HydrophobicContact CG1-CB 4.27Å; V388-I400 HydrophobicContact CG1-CG2 4.28Å; V388-I400 HydrophobicContact CG2-CG2 3.93Å; V388-V402 HydrophobicContact CG2-CB 4.06Å; V388-V402 HydrophobicContact CG2-CG2 3.76Å
389G97.7Very high95Very high32 Ų3245.8 Ų45.833%0.3327%0.267SS..Hα-helixtrans-57.9-44.2173.300000113.1E385 R386 L387 K392 A393E385-G389 PolarHBondContact O-N 3.13Å; R386-G389 CarbonylContact O-C 3.59Å; R386-G389 VanDerWaalsContact O-CA 3.28Å; R386-G389 WeakPolarHBondContact O-CA 3.43Å; R386-G389 PolarHBondContact O-N 3.42Å; L387-G389 VanDerWaalsContact C-N 3.31Å; L387-G389 PolarHBondContact O-N 3.16Å; G389-K392 WeakPolarHBondContact O-CB 3.49Å; G389-K392 PolarHBondContact O-N 2.8Å; G389-A393 PolarHBondContact O-N 3.38Å
390D97.9Very high95.9Very high29 Ų2943.5 Ų43.516%0.15525%0.252CS..Hα-helixtrans-66.4-42.9179.7-58.2-35.4000111.2L353 R386 L387 V388 K392 A393 A394L353-D390 HydrophobicContact CD2-CB 4.43Å; R386-D390 IonicContact NE-OD1 3.28Å; R386-D390 PolarHBondContact NE-OD1 3.15Å; R386-D390 IonicContact NE-OD2 3.29Å; R386-D390 VanDerWaalsContact O-CG 3.29Å; R386-D390 PolarHBondContact O-N 3.5Å; L387-D390 PolarHBondContact O-N 2.78Å; V388-D390 VanDerWaalsContact C-N 3.35Å; V388-D390 PolarHBondContact O-N 2.81Å; D390-K392 VanDerWaalsContact C-N 3.34Å; D390-K392 PolarHBondContact O-N 2.9Å; D390-A393 PolarHBondContact O-N 3.07Å; D390-A393 VanDerWaalsContact O-N 3.14Å; D390-A394 WeakPolarHBondContact O-CB 3.09Å; D390-A394 PolarHBondContact O-N 3.19Å
391A98.3Very high96.7Very high0 Ų043.4 Ų43.40%025%0.252CS..Hα-helixtrans-62.3-37.5175.200000113.1F341 A344 I345 L387 V388 A394 G395 S396 I400F341-A391 HydrophobicContact CD2-CB 3.68Å; F341-A391 HydrophobicContact CE2-CB 4.24Å; A344-A391 HydrophobicContact CB-CB 4.46Å; I345-A391 HydrophobicContact CG1-CB 4.04Å; L387-A391 PolarHBondContact O-N 2.81Å; V388-A391 PolarHBondContact O-N 2.82Å; A391-A394 PolarHBondContact O-N 3.29Å; A391-G395 PolarHBondContact O-N 2.96Å; A391-S396 VanDerWaalsContact O-CB 3.22Å; A391-S396 WeakPolarHBondContact O-CB 3.45Å; A391-S396 PolarHBondContact O-N 3Å; A391-I400 HydrophobicContact CB-CD1 4.2Å; A391-I400 HydrophobicContact CB-CG2 4.39Å
392K97.9Very high97.4Very high103 Ų10339.3 Ų39.345%0.44823%0.233SC..Hα-helixtrans-64.1-44.6172.1-66.7169.780.7179.80111.6I141 N143 V388 G389 D390 A394 G395 I400I141-K392 HydrophobicContact CD1-CD 3.52Å; I141-K392 HydrophobicContact CD1-CG 4.07Å; N143-K392 WeakPolarHBondContact OD1-CE 3.4Å; V388-K392 HydrophobicContact CG1-CD 4.43Å; V388-K392 VanDerWaalsContact O-CG 3.3Å; V388-K392 WeakPolarHBondContact O-CG 3.4Å; V388-K392 PolarHBondContact O-N 3.33Å; V388-K392 VanDerWaalsContact O-N 3.09Å; G389-K392 WeakPolarHBondContact O-CB 3.49Å; G389-K392 PolarHBondContact O-N 2.8Å; D390-K392 VanDerWaalsContact C-N 3.34Å; D390-K392 PolarHBondContact O-N 2.9Å; K392-A394 PolarHBondContact O-N 2.86Å; K392-G395 PolarHBondContact O-N 3.29Å; K392-I400 HydrophobicContact CG-CD1 3.69Å
393A97.6Very high97.7Very high90 Ų9032.8 Ų32.874%0.74421%0.208SC*.Hα-helixtrans-64.1-32.617900000111.7G389 D390 G395G389-A393 PolarHBondContact O-N 3.38Å; D390-A393 PolarHBondContact O-N 3.07Å; D390-A393 VanDerWaalsContact O-N 3.14Å; A393-G395 PolarHBondContact O-N 2.66Å
394A97.5Very high97.9Very high58 Ų5832.7 Ų32.748%0.47921%0.208SC..THydrogen-bonded Turntrans-74.5-1.2172.400000114.1A344 I345 D390 A391 K392A344-A394 HydrophobicContact CB-CB 4.04Å; I345-A394 HydrophobicContact CD1-CB 3.83Å; D390-A394 WeakPolarHBondContact O-CB 3.09Å; D390-A394 PolarHBondContact O-N 3.19Å; A391-A394 PolarHBondContact O-N 3.29Å; K392-A394 PolarHBondContact O-N 2.86Å
395G97.3Very high97.8Very high59 Ų5932.7 Ų32.761%0.60821%0.208SC*.THydrogen-bonded Turntrans101.411.4170.700000115.7A391 K392 A393 S397A391-G395 PolarHBondContact O-N 2.96Å; K392-G395 PolarHBondContact O-N 3.29Å; A393-G395 PolarHBondContact O-N 2.66Å; G395-S397 PolarHBondContact O-N 2.86Å
396S97.6Very high97.8Very high17 Ų1729.3 Ų29.312%0.11919%0.192CC..  trans-58.2134.2174.91790000111.8N143 G340 A391 I400N143-S396 PolarHBondContact ND2-O 3.17Å; G340-S396 WeakPolarHBondContact O-CB 3Å; G340-S396 PolarHBondContact O-OG 3.48Å; A391-S396 VanDerWaalsContact O-CB 3.22Å; A391-S396 WeakPolarHBondContact O-CB 3.45Å; A391-S396 PolarHBondContact O-N 3Å; S396-I400 WeakPolarHBondContact OG-CD1 3.15Å
397S96.4Very high97.7Very high75 Ų7525 Ų2552%0.52418%0.178SC..  trans-121.910.2177.865.80000113.5T144 R145 G395T144-S397 WeakPolarHBondContact OG1-CA 3.22Å; T144-S397 WeakPolarHBondContact OG1-CB 3.22Å; T144-S397 PolarHBondContact OG1-O 3.3Å; R145-S397 PolarHBondContact NE-O 3.44Å; G395-S397 PolarHBondContact O-N 2.86Å
398D97.4Very high97.4Very high20 Ų2027.1 Ų27.111%0.10719%0.186CC..SBendtrans-94.9172.5175.4-144.9-22.8000112N143 R145 I400N143-D398 WeakPolarHBondContact CB-O 3.47Å; N143-D398 PolarHBondContact ND2-O 2.91Å; N143-D398 VanDerWaalsContact ND2-O 3.07Å; R145-D398 WeakPolarHBondContact CG-OD1 3.45Å; R145-D398 IonicContact CZ-OD1 3.99Å; R145-D398 IonicContact CZ-OD2 2.73Å; R145-D398 IonicContact NE-OD1 3.63Å; R145-D398 PolarHBondContact NE-OD1 3.32Å; R145-D398 IonicContact NE-OD2 3.23Å; R145-D398 IonicContact NH1-OD1 3.58Å; R145-D398 PolarHBondContact NH1-OD1 2.83Å; R145-D398 IonicContact NH1-OD2 2.73Å; R145-D398 PolarHBondContact NH1-OD2 3.39Å; R145-D398 IonicContact NH2-OD1 2.95Å; R145-D398 PolarHBondContact NH2-OD1 3.33Å; R145-D398 IonicContact NH2-OD2 3.2Å; R145-D398 PolarHBondContact NH2-OD2 3.48Å; D398-I400 WeakPolarHBondContact O-CG1 3.49Å
399N98.5Very high97Very high3 Ų330.4 Ų30.42%0.01621%0.207CC..  trans-50.6142.7154-66.3168.1000108.9I141 K142 R145 K147 M148 E149 D150 G340I141-N399 WeakPolarHBondContact O-CA 3.41Å; K142-N399 WeakPolarHBondContact CA-ND2 3.42Å; K142-N399 PolarHBondContact O-ND2 3.27Å; R145-N399 WeakPolarHBondContact CB-ND2 3.48Å; K147-N399 PolarHBondContact O-ND2 3.22Å; K147-N399 PolarHBondContact O-OD1 3Å; M148-N399 WeakPolarHBondContact CA-OD1 3.34Å; M148-N399 HydrophobicContact SD-CB 4Å; E149-N399 PolarHBondContact N-OD1 2.96Å; D150-N399 VanDerWaalsContact OD1-CB 3.27Å; D150-N399 WeakPolarHBondContact OD1-CB 3.41Å; G340-N399 WeakPolarHBondContact CA-O 3.21Å
400I98.7Very high96.6Very high0 Ų029 Ų290%019%0.193CC..EExtended strand (participates in β ladder)trans-131.9118.3-179.1-45.5179.8000107.4A140 I141 N143 F341 V388 A391 K392 S396 D398 V402A140-I400 CarbonylContact C-O 3.52Å; A140-I400 VanDerWaalsContact CA-O 3.28Å; A140-I400 WeakPolarHBondContact CA-O 3.18Å; I141-I400 HydrophobicContact CD1-CD1 4.44Å; I141-I400 HydrophobicContact CG1-CB 4.09Å; I141-I400 HydrophobicContact CG1-CG1 4.47Å; I141-I400 PolarHBondContact N-O 2.93Å; I141-I400 PolarHBondContact O-N 2.66Å; N143-I400 HydrophobicContact CB-CG1 4.39Å; F341-I400 HydrophobicContact CB-CG2 4.13Å; V388-I400 HydrophobicContact CB-CG2 4.43Å; V388-I400 HydrophobicContact CG1-CB 4.27Å; V388-I400 HydrophobicContact CG1-CG2 4.28Å; V388-I400 HydrophobicContact CG2-CG2 3.93Å; A391-I400 HydrophobicContact CB-CD1 4.2Å; A391-I400 HydrophobicContact CB-CG2 4.39Å; K392-I400 HydrophobicContact CG-CD1 3.69Å; S396-I400 WeakPolarHBondContact OG-CD1 3.15Å; D398-I400 WeakPolarHBondContact O-CG1 3.49Å; I400-V402 HydrophobicContact CG2-CG2 4.22Å
401T98.8Very high95.9Very high0 Ų029.7 Ų29.70%021%0.206CC..EExtended strand (participates in β ladder)trans-124.2122173.3-610000108.6H139 A140 D150 H152 V175 A337 C338H139-T401 WeakPolarHBondContact O-CA 3.24Å; A140-T401 HydrophobicContact CB-CG2 4.02Å; D150-T401 WeakPolarHBondContact CB-OG1 3.22Å; D150-T401 WeakPolarHBondContact OD2-CB 3.41Å; D150-T401 PolarHBondContact OD2-OG1 2.79Å; H152-T401 HydrophobicContact CB-CG2 4.11Å; V175-T401 HydrophobicContact CG1-CG2 3.93Å; V175-T401 HydrophobicContact CG2-CG2 4Å; A337-T401 WeakPolarHBondContact CA-O 3.44Å; A337-T401 VanDerWaalsContact CB-O 3.22Å; A337-T401 WeakPolarHBondContact CB-O 3.2Å; C338-T401 PolarHBondContact N-O 2.91Å; C338-T401 PolarHBondContact SG-N 3.43Å
402V98.8Very high95.3Very high0 Ų034.6 Ų34.60%023%0.229CC..EExtended strand (participates in β ladder)trans-126.5134.4175.7-178.10000108.7V138 H139 L335 A337 F341 A384 L387 V388 I400 V404V138-V402 WeakPolarHBondContact CA-O 3.33Å; H139-V402 PolarHBondContact N-O 3.07Å; H139-V402 PolarHBondContact O-N 3.46Å; L335-V402 HydrophobicContact CD1-CG1 4.01Å; L335-V402 HydrophobicContact CG-CG1 4.24Å; A337-V402 HydrophobicContact CB-CB 4.49Å; A337-V402 HydrophobicContact CB-CG2 4.09Å; F341-V402 HydrophobicContact CB-CG2 3.94Å; F341-V402 HydrophobicContact CD2-CG2 3.46Å; F341-V402 VanDerWaalsContact CD2-CG2 3.46Å; F341-V402 HydrophobicContact CE2-CG2 4.11Å; F341-V402 HydrophobicContact CG-CG2 3.72Å; A384-V402 HydrophobicContact CB-CB 4.41Å; A384-V402 HydrophobicContact CB-CG1 4.37Å; A384-V402 WeakPolarHBondContact CB-O 3.41Å; L387-V402 HydrophobicContact CB-CG1 4.15Å; L387-V402 HydrophobicContact CD1-CG1 3.81Å; V388-V402 HydrophobicContact CG2-CB 4.06Å; V388-V402 HydrophobicContact CG2-CG2 3.76Å; I400-V402 HydrophobicContact CG2-CG2 4.22Å; V402-V404 HydrophobicContact CG1-CG2 4.31Å
403M98.6Very high94.7Very high0 Ų030.1 Ų30.10%021%0.21CC..EExtended strand (participates in β ladder)trans-130.5127.9175.1-177.7-179.1-67.200109.4S137 V138 H152 V153 A154 Y173 V175 L335 L336 V405S137-M403 CarbonylContact O-C 3.5Å; S137-M403 WeakPolarHBondContact O-CA 3.45Å; V138-M403 HydrophobicContact CB-CB 4.41Å; V138-M403 HydrophobicContact CB-CE 4.26Å; V138-M403 HydrophobicContact CB-CG 4.27Å; V138-M403 HydrophobicContact CG2-CB 4.11Å; V138-M403 HydrophobicContact CG2-CE 3.82Å; V138-M403 HydrophobicContact CG2-CG 4.37Å; H152-M403 HydrophobicContact CB-CE 3.88Å; V153-M403 WeakPolarHBondContact O-CE 3.35Å; A154-M403 HydrophobicContact CB-CE 4.07Å; A154-M403 HydrophobicContact CB-SD 4.5Å; Y173-M403 HydrophobicContact CD1-SD 3.69Å; Y173-M403 HydrophobicContact CG-SD 4.11Å; V175-M403 HydrophobicContact CG2-CB 4.44Å; L335-M403 CarbonylContact C-O 3.5Å; L335-M403 VanDerWaalsContact CA-O 3.25Å; L335-M403 WeakPolarHBondContact CA-O 3.21Å; L336-M403 HydrophobicContact CB-CB 4.41Å; L336-M403 HydrophobicContact CD1-SD 4.46Å; L336-M403 PolarHBondContact N-O 3.43Å; L336-M403 PolarHBondContact O-N 2.85Å; M403-V405 HydrophobicContact CG-CG2 4.17Å; M403-V405 HydrophobicContact SD-CG2 4.27Å
404V98.3Very high93.5Very high0 Ų028 Ų280%019%0.186CC..EExtended strand (participates in β ladder)trans-119.2116.4176.1-173.50000108.4C136 S137 Y333 L335 V383 L387 V402 F406C136-V404 CarbonylContact C-O 3.52Å; C136-V404 WeakPolarHBondContact CA-O 3.37Å; S137-V404 PolarHBondContact N-O 3.14Å; S137-V404 PolarHBondContact O-N 3.37Å; Y333-V404 HydrophobicContact CD2-CG1 3.95Å; Y333-V404 HydrophobicContact CG-CG1 4.01Å; L335-V404 HydrophobicContact CD1-CG2 3.94Å; L335-V404 HydrophobicContact CG-CG2 4.28Å; V383-V404 HydrophobicContact CG1-CG2 4.08Å; L387-V404 HydrophobicContact CD1-CG2 3.87Å; V402-V404 HydrophobicContact CG1-CG2 4.31Å; V404-F406 HydrophobicContact CG1-CD1 4.42Å; V404-F406 HydrophobicContact CG1-CE1 3.97Å; V404-F406 HydrophobicContact CG1-CE2 4.1Å; V404-F406 HydrophobicContact CG1-CZ 3.79Å
405V97.2Very high91.8Very high0 Ų029.2 Ų29.20%020%0.196CC..EExtended strand (participates in β ladder)trans-105.9112177.3-176.10000108.2F134 Y173 I241 Y333 V334 L336 M403 L407F134-V405 HydrophobicContact CB-CG1 3.89Å; F134-V405 HydrophobicContact CG-CG1 4.39Å; Y173-V405 HydrophobicContact CD1-CG2 3.49Å; Y173-V405 VanDerWaalsContact CD1-CG2 3.49Å; Y173-V405 HydrophobicContact CD2-CG1 4.16Å; Y173-V405 HydrophobicContact CD2-CG2 3.84Å; Y173-V405 HydrophobicContact CE1-CG1 4.11Å; Y173-V405 HydrophobicContact CE1-CG2 3.7Å; Y173-V405 HydrophobicContact CE2-CB 4.43Å; Y173-V405 HydrophobicContact CE2-CG1 3.6Å; Y173-V405 HydrophobicContact CE2-CG2 4.04Å; Y173-V405 HydrophobicContact CG-CG2 3.55Å; I241-V405 HydrophobicContact CD1-CG1 4.13Å; Y333-V405 CarbonylContact C-O 3.55Å; Y333-V405 WeakPolarHBondContact CA-O 3.23Å; Y333-V405 WeakPolarHBondContact CB-O 3.34Å; V334-V405 HydrophobicContact CG1-CB 3.72Å; V334-V405 HydrophobicContact CG1-CG1 4.4Å; V334-V405 HydrophobicContact CG1-CG2 4.26Å; V334-V405 PolarHBondContact N-O 2.73Å; V334-V405 PolarHBondContact O-N 3.23Å; L336-V405 HydrophobicContact CD1-CG2 4.48Å; M403-V405 HydrophobicContact CG-CG2 4.17Å; M403-V405 HydrophobicContact SD-CG2 4.27Å; V405-L407 PolarHBondContact O-N 3.09Å
406F95.8Very high89.7Confident5 Ų532.1 Ų32.12%0.02220%0.198CC..EExtended strand (participates in β ladder)trans-79.1116.9-177.4-67.7-76.5000110.8Q135 Y333 L358 V383 V404 R408 P410 L413Q135-F406 HydrophobicContact CB-CB 4.4Å; Q135-F406 HydrophobicContact CB-CD2 4.36Å; Q135-F406 HydrophobicContact CG-CD2 4.29Å; Q135-F406 PolarHBondContact O-N 2.95Å; Y333-F406 HydrophobicContact CD1-CD1 4.46Å; Y333-F406 HydrophobicContact CD1-CE1 4.45Å; L358-F406 HydrophobicContact CD1-CE1 4.36Å; L358-F406 HydrophobicContact CD2-CE1 4.28Å; L358-F406 HydrophobicContact CD2-CZ 4.11Å; V383-F406 HydrophobicContact CB-CZ 4.28Å; V383-F406 HydrophobicContact CG1-CZ 4.46Å; V383-F406 HydrophobicContact CG2-CZ 4.06Å; V404-F406 HydrophobicContact CG1-CD1 4.42Å; V404-F406 HydrophobicContact CG1-CE1 3.97Å; V404-F406 HydrophobicContact CG1-CE2 4.1Å; V404-F406 HydrophobicContact CG1-CZ 3.79Å; F406-R408 WeakPolarHBondContact CB-O 3.33Å; F406-P410 HydrophobicContact CB-CG 4.18Å; F406-P410 HydrophobicContact CD1-CB 4.35Å; F406-P410 HydrophobicContact CD1-CG 3.84Å; F406-P410 HydrophobicContact CD2-CG 3.7Å; F406-P410 HydrophobicContact CE1-CB 4.29Å; F406-P410 HydrophobicContact CE1-CG 4.1Å; F406-P410 HydrophobicContact CE2-CG 3.97Å; F406-P410 HydrophobicContact CG-CG 3.63Å; F406-P410 HydrophobicContact CZ-CB 4.47Å; F406-P410 HydrophobicContact CZ-CG 4.17Å; F406-L413 HydrophobicContact CD1-CD1 3.74Å; F406-L413 HydrophobicContact CE1-CD1 3.93Å
407L94.8Very high87.4Confident32 Ų3237.1 Ų37.117%0.16823%0.232CC..SBendtrans-86.3-20.4176.6-60.1175.8000111.3F134 I241 L246 L258 L327 E331 D332 V405F134-L407 HydrophobicContact CD1-CD2 4.05Å; F134-L407 HydrophobicContact CE1-CD2 3.89Å; I241-L407 HydrophobicContact CD1-CD2 3.49Å; I241-L407 VanDerWaalsContact CD1-CD2 3.49Å; I241-L407 HydrophobicContact CG1-CD2 4.44Å; L246-L407 HydrophobicContact CD1-CD1 4.41Å; L258-L407 HydrophobicContact CD1-CD1 3.67Å; L327-L407 HydrophobicContact CD2-CD1 4.37Å; E331-L407 HydrophobicContact CB-CB 4.27Å; E331-L407 HydrophobicContact CB-CD1 3.52Å; E331-L407 HydrophobicContact CG-CD1 4.35Å; D332-L407 PolarHBondContact O-N 2.93Å; V405-L407 PolarHBondContact O-N 3.09Å
408R91.3Very high87Confident43 Ų4335.2 Ų35.216%0.16222%0.218CC..SBendtrans-124.2149.8166.4-70.7-175.9-58.1144.10.4110.1E331 D332 F406 L413E331-R408 WeakPolarHBondContact O-CD 3.27Å; E331-R408 VanDerWaalsContact O-CG 3.23Å; E331-R408 WeakPolarHBondContact O-CG 3.2Å; E331-R408 PolarHBondContact O-NE 2.97Å; E331-R408 VanDerWaalsContact O-NE 3.09Å; D332-R408 VanDerWaalsContact CG-NH2 3.32Å; D332-R408 PolarHBondContact O-N 3.28Å; D332-R408 VanDerWaalsContact O-N 3.16Å; D332-R408 IonicContact OD1-CZ 2.71Å; D332-R408 IonicContact OD1-NE 3.08Å; D332-R408 IonicContact OD1-NH2 2.71Å; D332-R408 PolarHBondContact OD1-NH2 2.81Å; D332-R408 IonicContact OD2-NH2 3Å; F406-R408 WeakPolarHBondContact CB-O 3.33Å; R408-L413 HydrophobicContact CB-CD2 4.1Å
409P90.1Very high86.4Confident72 Ų7236 Ų3647%0.46822%0.223SC..  trans-52.2131.2179.3-27.335000111.6G411 Q412P409-G411 VanDerWaalsContact C-N 3.25Å; P409-G411 PolarHBondContact O-N 2.64Å; P409-G411 VanDerWaalsContact O-N 3.13Å; P409-Q412 HydrophobicContact CB-CG 4.19Å; P409-Q412 HydrophobicContact CG-CG 4.49Å; P409-Q412 WeakPolarHBondContact O-CB 3.39Å; P409-Q412 PolarHBondContact O-N 3.12Å
410P89.3Confident85.8Confident4 Ų437.8 Ų37.83%0.02624%0.235CC..Hα-helixtrans-52.8-38.9-174.9-31.336.8000114.5Q135 L358 V379 F406 Q412 L413Q135-P410 VanDerWaalsContact OE1-CG 3.27Å; L358-P410 HydrophobicContact CD2-CB 3.72Å; V379-P410 HydrophobicContact CB-CB 4.43Å; V379-P410 HydrophobicContact CG1-CB 3.94Å; V379-P410 WeakPolarHBondContact O-CB 3.17Å; V379-P410 WeakPolarHBondContact O-CG 3.15Å; F406-P410 HydrophobicContact CB-CG 4.18Å; F406-P410 HydrophobicContact CD1-CB 4.35Å; F406-P410 HydrophobicContact CD1-CG 3.84Å; F406-P410 HydrophobicContact CD2-CG 3.7Å; F406-P410 HydrophobicContact CE1-CB 4.29Å; F406-P410 HydrophobicContact CE1-CG 4.1Å; F406-P410 HydrophobicContact CE2-CG 3.97Å; F406-P410 HydrophobicContact CG-CG 3.63Å; F406-P410 HydrophobicContact CZ-CB 4.47Å; F406-P410 HydrophobicContact CZ-CG 4.17Å; P410-Q412 PolarHBondContact O-N 3.26Å; P410-L413 WeakPolarHBondContact O-CB 3.22Å; P410-L413 PolarHBondContact O-N 3.44Å
411G84Confident85Confident42 Ų4240.1 Ų40.143%0.43325%0.249SC..Hα-helixtrans-61.9-26.7176.900000114.3P409P409-G411 VanDerWaalsContact C-N 3.25Å; P409-G411 PolarHBondContact O-N 2.64Å; P409-G411 VanDerWaalsContact O-N 3.13Å
412Q85.3Confident84.2Confident103 Ų10342.6 Ų42.648%0.48126%0.264SS..Hα-helixtrans-78.6-20.7176-64.3-178.98.300113P409 P410 N416P409-Q412 HydrophobicContact CB-CG 4.19Å; P409-Q412 HydrophobicContact CG-CG 4.49Å; P409-Q412 WeakPolarHBondContact O-CB 3.39Å; P409-Q412 PolarHBondContact O-N 3.12Å; P410-Q412 PolarHBondContact O-N 3.26Å; Q412-N416 PolarHBondContact O-ND2 3.32Å
413L86Confident83.2Confident10 Ų1045.4 Ų45.45%0.05228%0.282CS..Hα-helixtrans-71.4-39.2176.7-57.1-177.7000110.5D332 Y333 L358 F406 R408 P410 A415 N416 S417D332-L413 HydrophobicContact CB-CD1 4.32Å; D332-L413 HydrophobicContact CB-CD2 3.7Å; Y333-L413 HydrophobicContact CD1-CD1 3.82Å; Y333-L413 HydrophobicContact CE1-CD1 4.31Å; L358-L413 HydrophobicContact CD1-CB 4.13Å; L358-L413 HydrophobicContact CD1-CD1 4.18Å; F406-L413 HydrophobicContact CD1-CD1 3.74Å; F406-L413 HydrophobicContact CE1-CD1 3.93Å; R408-L413 HydrophobicContact CB-CD2 4.1Å; P410-L413 WeakPolarHBondContact O-CB 3.22Å; P410-L413 PolarHBondContact O-N 3.44Å; L413-A415 VanDerWaalsContact C-N 3.32Å; L413-A415 PolarHBondContact O-N 3.32Å; L413-N416 PolarHBondContact O-N 2.99Å; L413-S417 PolarHBondContact O-N 3Å; L413-S417 PolarHBondContact O-OG 3.17Å
414L72.6Confident82.1Confident45 Ų4548.6 Ų48.624%0.23630%0.302CS..Hα-helixtrans-62.1-35.7175.6-69176.7000113.5L358 R359 V379 N416L358-L414 HydrophobicContact CB-CD1 4.25Å; L358-L414 HydrophobicContact CB-CD2 3.59Å; L358-L414 HydrophobicContact CB-CG 3.99Å; R359-L414 HydrophobicContact CB-CD2 4.48Å; R359-L414 HydrophobicContact CG-CD2 3.52Å; V379-L414 HydrophobicContact CG1-CD1 4.23Å; L414-N416 PolarHBondContact O-N 3.45Å
415A62.3Low80.8Confident84 Ų8452.4 Ų52.469%0.69433%0.325SS*.THydrogen-bonded Turntrans-72.5-15.3-178.700000114.1L413L413-A415 VanDerWaalsContact C-N 3.32Å; L413-A415 PolarHBondContact O-N 3.32Å
416N52.5Low79.5Confident120 Ų12056.8 Ų56.864%0.64235%0.352SS*.THydrogen-bonded Turntrans-113.45.8-177.5-66.4-56000113.1Q412 L413 L414Q412-N416 PolarHBondContact O-ND2 3.32Å; L413-N416 PolarHBondContact O-N 2.99Å; L414-N416 PolarHBondContact O-N 3.45Å
417S49.9Very low78Confident121 Ų12161.5 Ų61.585%0.84638%0.383SS*.  trans-89.90-178-57.10000112.9L413L413-S417 PolarHBondContact O-N 3Å; L413-S417 PolarHBondContact O-OG 3.17Å

Retrieved 417 of 417 residues in 177.2 ms (Link to these results)

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