A0A087YIW5_POEFO Loading...

Proline and serine rich 1

AlphaFold DB , UniProt , Accession A0A087YIW5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 877 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
1M86.9Confident90.5Very high57 Ų5752.8 Ų52.828%0.28125%0.253SS..  0146.40177.2163.755.200107F6 V9 V29 Y32 F33 Q37 P146M1-F6 HydrophobicContact CE-CB 4.11Å; M1-F6 HydrophobicContact CE-CD2 4.04Å; M1-V9 HydrophobicContact CE-CG2 4.06Å; M1-V29 HydrophobicContact CE-CG1 4.19Å; M1-V29 HydrophobicContact SD-CG1 4.21Å; M1-Y32 WeakPolarHBondContact CB-O 3.33Å; M1-Y32 PolarHBondContact N-O 3.31Å; M1-F33 HydrophobicContact CE-CD1 3.73Å; M1-F33 HydrophobicContact CE-CE1 3.34Å; M1-F33 HydrophobicContact CE-CZ 4.07Å; M1-Q37 PolarHBondContact O-NE2 3.3Å; M1-P146 HydrophobicContact SD-CB 4.2Å
2D86.5Confident90.6Very high73 Ų7348.4 Ų48.439%0.3923%0.232SC..  trans-67.6166.8178.770-78.5000112K4 S5 F6D2-K4 WeakPolarHBondContact OD2-CA 3.35Å; D2-K4 WeakPolarHBondContact OD2-CB 3.49Å; D2-K4 PolarHBondContact OD2-N 3.24Å; D2-S5 VanDerWaalsContact CG-OG 3.32Å; D2-S5 WeakPolarHBondContact OD1-CB 3.13Å; D2-S5 PolarHBondContact OD1-OG 3.18Å; D2-S5 PolarHBondContact OD2-N 3.39Å; D2-S5 PolarHBondContact OD2-OG 3.29Å; D2-F6 VanDerWaalsContact O-CB 3.27Å; D2-F6 WeakPolarHBondContact O-CB 3.34Å; D2-F6 PolarHBondContact O-N 3.41Å; D2-F6 VanDerWaalsContact O-N 3.09Å
3K88.9Confident90.8Very high142 Ų14244.7 Ų44.762%0.61721%0.214SC*.Hα-helixtrans-64.8-40-177.4-166.4-167.2177-56.80112.6F6 D7K3-F6 CarbonylContact O-C 3.55Å; K3-F6 PolarHBondContact O-N 3.27Å; K3-D7 IonicContact NZ-OD1 2.76Å; K3-D7 PolarHBondContact NZ-OD1 3.45Å; K3-D7 IonicContact NZ-OD2 2.72Å; K3-D7 PolarHBondContact NZ-OD2 2.72Å; K3-D7 WeakPolarHBondContact O-CB 3.24Å; K3-D7 PolarHBondContact O-N 3.2Å
4K89Confident90.9Very high144 Ų14450.3 Ų50.363%0.62623%0.232SC*.Hα-helixtrans-69.3-44-174.6-176.2-179.4179.2-179.60111.2D2 F6 D7 I8D2-K4 WeakPolarHBondContact OD2-CA 3.35Å; D2-K4 WeakPolarHBondContact OD2-CB 3.49Å; D2-K4 PolarHBondContact OD2-N 3.24Å; K4-F6 VanDerWaalsContact C-N 3.3Å; K4-F6 PolarHBondContact O-N 2.99Å; K4-D7 PolarHBondContact O-N 3.08Å; K4-I8 WeakPolarHBondContact O-CG1 2.94Å; K4-I8 PolarHBondContact O-N 3.07Å
5S89.4Confident90.9Very high6 Ų654.2 Ų54.24%0.04225%0.248CC..Hα-helixtrans-65.2-35.5173.4-52.80000111.6D2 I8 V9 G144D2-S5 VanDerWaalsContact CG-OG 3.32Å; D2-S5 WeakPolarHBondContact OD1-CB 3.13Å; D2-S5 PolarHBondContact OD1-OG 3.18Å; D2-S5 PolarHBondContact OD2-N 3.39Å; D2-S5 PolarHBondContact OD2-OG 3.29Å; S5-I8 PolarHBondContact O-N 2.81Å; S5-V9 WeakPolarHBondContact O-CG2 3.11Å; S5-V9 PolarHBondContact O-N 3.27Å; S5-V9 VanDerWaalsContact O-N 3.16Å; S5-G144 PolarHBondContact OG-O 3.09Å
6F92.4Very high90.8Very high10 Ų1051.1 Ų51.14%0.04424%0.235CC..Hα-helixtrans-68.8-41.7174.2-179.2-112.8000113.3M1 D2 K3 K4 I8 V9 L10 F33 Q37 E40 I41M1-F6 HydrophobicContact CE-CB 4.11Å; M1-F6 HydrophobicContact CE-CD2 4.04Å; D2-F6 VanDerWaalsContact O-CB 3.27Å; D2-F6 WeakPolarHBondContact O-CB 3.34Å; D2-F6 PolarHBondContact O-N 3.41Å; D2-F6 VanDerWaalsContact O-N 3.09Å; K3-F6 CarbonylContact O-C 3.55Å; K3-F6 PolarHBondContact O-N 3.27Å; K4-F6 VanDerWaalsContact C-N 3.3Å; K4-F6 PolarHBondContact O-N 2.99Å; F6-I8 PolarHBondContact O-N 3.24Å; F6-V9 PolarHBondContact O-N 3.04Å; F6-L10 HydrophobicContact CD1-CD1 4.1Å; F6-L10 HydrophobicContact CD1-CG 4.32Å; F6-L10 HydrophobicContact CE1-CD1 3.48Å; F6-L10 VanDerWaalsContact CE1-CD1 3.48Å; F6-L10 HydrophobicContact CE1-CD2 4.36Å; F6-L10 HydrophobicContact CE1-CG 3.9Å; F6-L10 HydrophobicContact CE2-CD2 3.99Å; F6-L10 HydrophobicContact CE2-CG 4.11Å; F6-L10 HydrophobicContact CZ-CD1 3.73Å; F6-L10 HydrophobicContact CZ-CD2 3.74Å; F6-L10 HydrophobicContact CZ-CG 3.77Å; F6-L10 PolarHBondContact O-N 3.14Å; F6-F33 HydrophobicContact CD2-CD1 4.22Å; F6-F33 HydrophobicContact CD2-CE1 4.26Å; F6-F33 HydrophobicContact CE2-CD1 4.31Å; F6-F33 HydrophobicContact CE2-CE1 4.44Å; F6-Q37 HydrophobicContact CD1-CG 3.97Å; F6-Q37 HydrophobicContact CD2-CB 3.91Å; F6-Q37 HydrophobicContact CD2-CG 3.75Å; F6-Q37 HydrophobicContact CE1-CB 4.36Å; F6-Q37 HydrophobicContact CE1-CG 3.92Å; F6-Q37 HydrophobicContact CE2-CB 3.48Å; F6-Q37 VanDerWaalsContact CE2-CB 3.48Å; F6-Q37 HydrophobicContact CE2-CG 3.72Å; F6-Q37 HydrophobicContact CG-CG 3.87Å; F6-Q37 HydrophobicContact CZ-CB 3.74Å; F6-Q37 HydrophobicContact CZ-CG 3.8Å; F6-Q37 WeakPolarHBondContact CZ-O 3.26Å; F6-E40 HydrophobicContact CE1-CG 4.46Å; F6-E40 HydrophobicContact CZ-CB 4.11Å; F6-E40 HydrophobicContact CZ-CG 4.29Å; F6-I41 HydrophobicContact CE2-CD1 3.89Å; F6-I41 HydrophobicContact CE2-CG1 3.93Å; F6-I41 HydrophobicContact CZ-CG1 4.38Å
7D92.6Very high90.6Very high61 Ų6155.1 Ų55.133%0.32626%0.263SS..Hα-helixtrans-58.8-36.3174.6-69.8-38.7000111.1K3 K4 L10 D11K3-D7 IonicContact NZ-OD1 2.76Å; K3-D7 PolarHBondContact NZ-OD1 3.45Å; K3-D7 IonicContact NZ-OD2 2.72Å; K3-D7 PolarHBondContact NZ-OD2 2.72Å; K3-D7 WeakPolarHBondContact O-CB 3.24Å; K3-D7 PolarHBondContact O-N 3.2Å; K4-D7 PolarHBondContact O-N 3.08Å; D7-L10 PolarHBondContact O-N 2.71Å; D7-D11 WeakPolarHBondContact O-CB 3.22Å; D7-D11 PolarHBondContact O-N 2.87Å
8I91.4Very high90.6Very high43 Ų4357.6 Ų57.622%0.22128%0.278CS..Hα-helixtrans-65.3-42.3172.9-68.9165.3000111.9K4 S5 F6 D11 E12 P146K4-I8 WeakPolarHBondContact O-CG1 2.94Å; K4-I8 PolarHBondContact O-N 3.07Å; S5-I8 PolarHBondContact O-N 2.81Å; F6-I8 PolarHBondContact O-N 3.24Å; I8-D11 WeakPolarHBondContact O-CB 3.29Å; I8-D11 PolarHBondContact O-N 2.9Å; I8-E12 PolarHBondContact O-N 3.16Å; I8-P146 HydrophobicContact CB-CG 4.1Å; I8-P146 HydrophobicContact CG2-CG 3.65Å
9V92.4Very high90.5Very high0 Ų057.6 Ų57.60%028%0.282CS..Hα-helixtrans-66-39176170.30000111.4M1 S5 F6 E12 I13 V29 F33 P146 Y147M1-V9 HydrophobicContact CE-CG2 4.06Å; S5-V9 WeakPolarHBondContact O-CG2 3.11Å; S5-V9 PolarHBondContact O-N 3.27Å; S5-V9 VanDerWaalsContact O-N 3.16Å; F6-V9 PolarHBondContact O-N 3.04Å; V9-E12 PolarHBondContact O-N 2.98Å; V9-I13 HydrophobicContact CG1-CD1 3.74Å; V9-I13 HydrophobicContact CG1-CG1 4.47Å; V9-I13 WeakPolarHBondContact O-CB 3.3Å; V9-I13 VanDerWaalsContact O-CG1 3.27Å; V9-I13 WeakPolarHBondContact O-CG1 3.47Å; V9-I13 PolarHBondContact O-N 2.92Å; V9-V29 HydrophobicContact CB-CG2 4.42Å; V9-V29 HydrophobicContact CG1-CG2 3.85Å; V9-V29 HydrophobicContact CG2-CG1 4.07Å; V9-V29 HydrophobicContact CG2-CG2 3.62Å; V9-F33 HydrophobicContact CG1-CE1 4.23Å; V9-F33 HydrophobicContact CG1-CZ 4.39Å; V9-P146 HydrophobicContact CG2-CB 3.66Å; V9-P146 HydrophobicContact CG2-CG 3.76Å; V9-Y147 HydrophobicContact CG2-CE2 4.12Å
10L93.4Very high90.5Very high0 Ų059.4 Ų59.40%029%0.293CS..Hα-helixtrans-68-41175.1-67.3-171.1000112.5F6 D7 E12 I13 R14 E40 I41 Y44F6-L10 HydrophobicContact CD1-CD1 4.1Å; F6-L10 HydrophobicContact CD1-CG 4.32Å; F6-L10 HydrophobicContact CE1-CD1 3.48Å; F6-L10 VanDerWaalsContact CE1-CD1 3.48Å; F6-L10 HydrophobicContact CE1-CD2 4.36Å; F6-L10 HydrophobicContact CE1-CG 3.9Å; F6-L10 HydrophobicContact CE2-CD2 3.99Å; F6-L10 HydrophobicContact CE2-CG 4.11Å; F6-L10 HydrophobicContact CZ-CD1 3.73Å; F6-L10 HydrophobicContact CZ-CD2 3.74Å; F6-L10 HydrophobicContact CZ-CG 3.77Å; F6-L10 PolarHBondContact O-N 3.14Å; D7-L10 PolarHBondContact O-N 2.71Å; L10-E12 VanDerWaalsContact C-N 3.31Å; L10-E12 PolarHBondContact O-N 3.34Å; L10-I13 PolarHBondContact O-N 3.37Å; L10-R14 WeakPolarHBondContact O-CB 3.42Å; L10-R14 WeakPolarHBondContact O-CG 3.27Å; L10-R14 PolarHBondContact O-N 3.36Å; L10-E40 HydrophobicContact CD1-CG 3.95Å; L10-E40 WeakPolarHBondContact CD1-OE1 3.42Å; L10-I41 HydrophobicContact CD2-CG1 3.84Å; L10-Y44 HydrophobicContact CD1-CE2 4.45Å; L10-Y44 HydrophobicContact CD2-CD2 4.27Å; L10-Y44 HydrophobicContact CD2-CE2 3.7Å
11D92.5Very high90.5Very high45 Ų4558.7 Ų58.724%0.24129%0.289CS..Hα-helixtrans-54.3-46.8170.616959000111.6D7 I8 R14 K15 R151D7-D11 WeakPolarHBondContact O-CB 3.22Å; D7-D11 PolarHBondContact O-N 2.87Å; I8-D11 WeakPolarHBondContact O-CB 3.29Å; I8-D11 PolarHBondContact O-N 2.9Å; D11-R14 PolarHBondContact O-N 3.17Å; D11-K15 WeakPolarHBondContact O-CD 3.49Å; D11-K15 WeakPolarHBondContact O-CG 3.12Å; D11-K15 PolarHBondContact O-N 2.92Å; D11-K15 VanDerWaalsContact O-N 3.07Å; D11-K15 WeakPolarHBondContact OD1-CE 3.45Å; D11-K15 IonicContact OD1-NZ 3.16Å; D11-K15 PolarHBondContact OD1-NZ 3.48Å; D11-K15 IonicContact OD2-NZ 2.67Å; D11-K15 PolarHBondContact OD2-NZ 3.16Å; D11-R151 IonicContact OD2-CZ 3.54Å; D11-R151 IonicContact OD2-NH1 3.32Å; D11-R151 PolarHBondContact OD2-NH1 3.39Å; D11-R151 IonicContact OD2-NH2 2.62Å
12E91.9Very high90.8Very high0 Ų058.5 Ų58.50%029%0.285CS..Hα-helixtrans-63-46.5177.3-155.876.3-17600112.4I8 V9 L10 R14 K15 C16 A25 Y147 R151 P152 S153I8-E12 PolarHBondContact O-N 3.16Å; V9-E12 PolarHBondContact O-N 2.98Å; L10-E12 VanDerWaalsContact C-N 3.31Å; L10-E12 PolarHBondContact O-N 3.34Å; E12-R14 VanDerWaalsContact C-N 3.33Å; E12-R14 PolarHBondContact O-N 3Å; E12-K15 PolarHBondContact O-N 2.76Å; E12-C16 PolarHBondContact O-N 3.26Å; E12-C16 VanDerWaalsContact O-N 3.1Å; E12-C16 PolarHBondContact O-SG 2.9Å; E12-C16 VanDerWaalsContact O-SG 3.34Å; E12-A25 HydrophobicContact CG-CB 4.49Å; E12-Y147 HydrophobicContact CB-CE2 3.82Å; E12-Y147 HydrophobicContact CG-CE2 3.76Å; E12-R151 VanDerWaalsContact OE1-C 3.23Å; E12-R151 VanDerWaalsContact OE1-CB 3.23Å; E12-R151 WeakPolarHBondContact OE1-CB 3.18Å; E12-R151 VanDerWaalsContact OE2-CD 3.3Å; E12-R151 WeakPolarHBondContact OE2-CD 3.1Å; E12-R151 WeakPolarHBondContact OE2-CG 3.37Å; E12-R151 IonicContact OE2-CZ 2.66Å; E12-R151 IonicContact OE2-NE 3.76Å; E12-R151 IonicContact OE2-NH1 3.55Å; E12-R151 PolarHBondContact OE2-NH1 3.29Å; E12-P152 HydrophobicContact CG-CB 4.34Å; E12-P152 HydrophobicContact CG-CG 4.13Å; E12-P152 VanDerWaalsContact OE1-CD 3.26Å; E12-P152 WeakPolarHBondContact OE1-CD 3.37Å; E12-S153 WeakPolarHBondContact OE1-CB 3.31Å; E12-S153 PolarHBondContact OE1-N 3.14Å; E12-S153 PolarHBondContact OE1-OG 3.39Å; E12-S153 VanDerWaalsContact OE1-OG 3.12Å
13I93.3Very high91.2Very high0 Ų055.8 Ų55.80%027%0.27CS..Hα-helixtrans-64-36.5178.4-70.7167.3000111.7V9 L10 C16 R22 A25 I26 I41 Y44V9-I13 HydrophobicContact CG1-CD1 3.74Å; V9-I13 HydrophobicContact CG1-CG1 4.47Å; V9-I13 WeakPolarHBondContact O-CB 3.3Å; V9-I13 VanDerWaalsContact O-CG1 3.27Å; V9-I13 WeakPolarHBondContact O-CG1 3.47Å; V9-I13 PolarHBondContact O-N 2.92Å; L10-I13 PolarHBondContact O-N 3.37Å; I13-C16 PolarHBondContact O-N 3.43Å; I13-R22 HydrophobicContact CG2-CB 4.3Å; I13-R22 HydrophobicContact CG2-CG 4.02Å; I13-R22 WeakPolarHBondContact O-CG 3.19Å; I13-R22 PolarHBondContact O-NE 3.14Å; I13-R22 VanDerWaalsContact O-NE 3.13Å; I13-A25 HydrophobicContact CG1-CB 4.45Å; I13-I26 HydrophobicContact CD1-CD1 4.19Å; I13-I26 HydrophobicContact CD1-CG1 3.7Å; I13-I26 HydrophobicContact CG1-CG1 4.36Å; I13-I41 HydrophobicContact CD1-CD1 4.44Å; I13-I41 HydrophobicContact CD1-CG1 4.12Å; I13-I41 HydrophobicContact CD1-CG2 4.27Å; I13-Y44 HydrophobicContact CG2-CD2 4.46Å; I13-Y44 HydrophobicContact CG2-CG 4.07Å
14R91.8Very high91.3Very high123 Ų12355 Ų5546%0.46426%0.263SS..Hα-helixtrans-65.6-38.8173.6-71.2167.3-160.1140.3-1.7112L10 D11 E12 C16 Y44L10-R14 WeakPolarHBondContact O-CB 3.42Å; L10-R14 WeakPolarHBondContact O-CG 3.27Å; L10-R14 PolarHBondContact O-N 3.36Å; D11-R14 PolarHBondContact O-N 3.17Å; E12-R14 VanDerWaalsContact C-N 3.33Å; E12-R14 PolarHBondContact O-N 3Å; R14-C16 VanDerWaalsContact C-N 3.34Å; R14-Y44 HydrophobicContact CG-CD1 3.94Å; R14-Y44 HydrophobicContact CG-CE1 3.48Å; R14-Y44 VanDerWaalsContact CG-CE1 3.48Å; R14-Y44 PolarHBondContact NE-OH 2.87Å; R14-Y44 VanDerWaalsContact NE-OH 3.16Å; R14-Y44 PolarHBondContact NH2-OH 3.3Å
15K91.3Very high91.4Very high109 Ų10948.1 Ų48.147%0.47423%0.233SC..Hα-helixtrans-69.8-27.4178.3-75.8164.5174.2164.10113.3D11 E12 V17D11-K15 WeakPolarHBondContact O-CD 3.49Å; D11-K15 WeakPolarHBondContact O-CG 3.12Å; D11-K15 PolarHBondContact O-N 2.92Å; D11-K15 VanDerWaalsContact O-N 3.07Å; D11-K15 WeakPolarHBondContact OD1-CE 3.45Å; D11-K15 IonicContact OD1-NZ 3.16Å; D11-K15 PolarHBondContact OD1-NZ 3.48Å; D11-K15 IonicContact OD2-NZ 2.67Å; D11-K15 PolarHBondContact OD2-NZ 3.16Å; E12-K15 PolarHBondContact O-N 2.76Å; K15-V17 PolarHBondContact O-N 3.26Å
16C89.4Confident91.6Very high4 Ų447.8 Ų47.83%0.02723%0.231CC..  trans-67.7120.9173.7-69.10000111.7E12 I13 R14 Q21 R22E12-C16 PolarHBondContact O-N 3.26Å; E12-C16 VanDerWaalsContact O-N 3.1Å; E12-C16 PolarHBondContact O-SG 2.9Å; E12-C16 VanDerWaalsContact O-SG 3.34Å; I13-C16 PolarHBondContact O-N 3.43Å; R14-C16 VanDerWaalsContact C-N 3.34Å; C16-Q21 HydrophobicContact CB-CB 3.7Å; C16-R22 HydrophobicContact CB-CB 4.43Å; C16-R22 HydrophobicContact CB-CG 3.49Å; C16-R22 VanDerWaalsContact CB-CG 3.49Å; C16-R22 VanDerWaalsContact O-CZ 3.32Å; C16-R22 PolarHBondContact O-NE 3.34Å; C16-R22 PolarHBondContact O-NH2 3.07Å
17V87Confident91.5Very high119 Ų11952.2 Ų52.272%0.72125%0.252SS*.  trans-78.2-40.7178.2-179.80000111.1K15K15-V17 PolarHBondContact O-N 3.26Å
18L90.1Very high91.4Very high101 Ų10152 Ų5253%0.52925%0.249SC..SBendtrans-92.7146.7-177.2-55.8178000112.1D20 Q21 R22L18-D20 PolarHBondContact O-N 2.84Å; L18-Q21 HydrophobicContact CB-CB 4.32Å; L18-Q21 HydrophobicContact CB-CG 3.96Å; L18-Q21 HydrophobicContact CD1-CG 4.49Å; L18-Q21 WeakPolarHBondContact O-CB 3.44Å; L18-Q21 PolarHBondContact O-N 3.09Å; L18-R22 PolarHBondContact O-N 3.08Å; L18-R22 VanDerWaalsContact O-N 3.1Å
19T90.3Very high91.4Very high58 Ų5850.2 Ų50.236%0.35624%0.24SC..Hα-helixtrans-53.8-41.7173.837.10000112.7R22 I23 P50T19-R22 WeakPolarHBondContact O-CB 3.38Å; T19-R22 PolarHBondContact O-N 3.25Å; T19-R22 VanDerWaalsContact O-N 3.16Å; T19-I23 WeakPolarHBondContact O-CG1 2.92Å; T19-I23 PolarHBondContact O-N 3.41Å; T19-P50 HydrophobicContact CG2-CB 4.08Å; T19-P50 HydrophobicContact CG2-CG 4.07Å
20D89.8Confident91.2Very high92 Ų9257 Ų5749%0.49227%0.272SS..Hα-helixtrans-76.7-26-175.5-58.4-102.4000111.8L18 R24L18-D20 PolarHBondContact O-N 2.84Å; D20-R24 WeakPolarHBondContact O-CB 3.44Å; D20-R24 VanDerWaalsContact O-CG 3.25Å; D20-R24 WeakPolarHBondContact O-CG 3.42Å; D20-R24 PolarHBondContact O-N 3.15Å
21Q91.3Very high90.9Very high46 Ų4658.4 Ų58.422%0.21529%0.286CS..Hα-helixtrans-67-44.1166-68.2166.5-11.900110.2C16 L18 I23 R24 A25C16-Q21 HydrophobicContact CB-CB 3.7Å; L18-Q21 HydrophobicContact CB-CB 4.32Å; L18-Q21 HydrophobicContact CB-CG 3.96Å; L18-Q21 HydrophobicContact CD1-CG 4.49Å; L18-Q21 WeakPolarHBondContact O-CB 3.44Å; L18-Q21 PolarHBondContact O-N 3.09Å; Q21-I23 PolarHBondContact O-N 3.38Å; Q21-R24 PolarHBondContact O-N 3.22Å; Q21-A25 VanDerWaalsContact O-CB 3.22Å; Q21-A25 WeakPolarHBondContact O-CB 3.28Å; Q21-A25 PolarHBondContact O-N 2.95Å
22R93.1Very high90.9Very high52 Ų5261.8 Ų61.820%0.19630%0.296CS..Hα-helixtrans-61.1-42.2175.9-65.7-179.3-175160.213.5112.1I13 C16 L18 T19 A25 I26 Y44 F45I13-R22 HydrophobicContact CG2-CB 4.3Å; I13-R22 HydrophobicContact CG2-CG 4.02Å; I13-R22 WeakPolarHBondContact O-CG 3.19Å; I13-R22 PolarHBondContact O-NE 3.14Å; I13-R22 VanDerWaalsContact O-NE 3.13Å; C16-R22 HydrophobicContact CB-CB 4.43Å; C16-R22 HydrophobicContact CB-CG 3.49Å; C16-R22 VanDerWaalsContact CB-CG 3.49Å; C16-R22 VanDerWaalsContact O-CZ 3.32Å; C16-R22 PolarHBondContact O-NE 3.34Å; C16-R22 PolarHBondContact O-NH2 3.07Å; L18-R22 PolarHBondContact O-N 3.08Å; L18-R22 VanDerWaalsContact O-N 3.1Å; T19-R22 WeakPolarHBondContact O-CB 3.38Å; T19-R22 PolarHBondContact O-N 3.25Å; T19-R22 VanDerWaalsContact O-N 3.16Å; R22-A25 PolarHBondContact O-N 3.43Å; R22-I26 WeakPolarHBondContact O-CG1 3.29Å; R22-I26 PolarHBondContact O-N 2.94Å; R22-I26 VanDerWaalsContact O-N 3.08Å; R22-Y44 PolarHBondContact NH1-O 3.21Å; R22-F45 HydrophobicContact CB-CE1 3.69Å; R22-F45 HydrophobicContact CB-CZ 3.56Å
23I93.5Very high90.9Very high17 Ų1761.8 Ų61.89%0.08730%0.296CS..Hα-helixtrans-63.9-49.8176.2-66.3157.6000110.5T19 Q21 A25 I26 E27 F45 K53 A57T19-I23 WeakPolarHBondContact O-CG1 2.92Å; T19-I23 PolarHBondContact O-N 3.41Å; Q21-I23 PolarHBondContact O-N 3.38Å; I23-A25 VanDerWaalsContact C-N 3.27Å; I23-A25 PolarHBondContact O-N 3.37Å; I23-I26 WeakPolarHBondContact O-CA 3.42Å; I23-I26 WeakPolarHBondContact O-CB 3.43Å; I23-I26 PolarHBondContact O-N 2.98Å; I23-E27 HydrophobicContact CG2-CG 4.44Å; I23-E27 WeakPolarHBondContact O-CG 3.23Å; I23-E27 PolarHBondContact O-N 3.48Å; I23-F45 HydrophobicContact CG1-CE1 3.99Å; I23-F45 HydrophobicContact CG1-CZ 4.29Å; I23-K53 HydrophobicContact CD1-CB 3.69Å; I23-K53 HydrophobicContact CD1-CD 4.31Å; I23-K53 HydrophobicContact CG1-CB 4.41Å; I23-A57 HydrophobicContact CG2-CB 4.21Å
24R91.4Very high90.9Very high124 Ų12463.2 Ų63.247%0.46831%0.306SS..Hα-helixtrans-60.5-35.2175.3-73.6176.9-173.8-153.73.6113D20 Q21 I26 E27 Q28D20-R24 WeakPolarHBondContact O-CB 3.44Å; D20-R24 VanDerWaalsContact O-CG 3.25Å; D20-R24 WeakPolarHBondContact O-CG 3.42Å; D20-R24 PolarHBondContact O-N 3.15Å; Q21-R24 PolarHBondContact O-N 3.22Å; R24-I26 PolarHBondContact O-N 3.46Å; R24-E27 PolarHBondContact O-N 3.03Å; R24-Q28 WeakPolarHBondContact O-CB 3.47Å; R24-Q28 VanDerWaalsContact O-CG 3.3Å; R24-Q28 WeakPolarHBondContact O-CG 3.36Å; R24-Q28 PolarHBondContact O-N 3.46Å; R24-Q28 PolarHBondContact O-NE2 2.82Å
25A91.8Very high90.9Very high0 Ų057.8 Ų57.80%029%0.287CS..Hα-helixtrans-69.3-21.1175.300000112.7E12 I13 Q21 R22 I23 V29 Y147 P152E12-A25 HydrophobicContact CG-CB 4.49Å; I13-A25 HydrophobicContact CG1-CB 4.45Å; Q21-A25 VanDerWaalsContact O-CB 3.22Å; Q21-A25 WeakPolarHBondContact O-CB 3.28Å; Q21-A25 PolarHBondContact O-N 2.95Å; R22-A25 PolarHBondContact O-N 3.43Å; I23-A25 VanDerWaalsContact C-N 3.27Å; I23-A25 PolarHBondContact O-N 3.37Å; A25-V29 VanDerWaalsContact O-CG2 3.29Å; A25-V29 WeakPolarHBondContact O-CG2 3.36Å; A25-Y147 WeakPolarHBondContact O-CE1 3.43Å; A25-Y147 PolarHBondContact O-OH 3.21Å; A25-P152 HydrophobicContact CB-CB 3.89Å; A25-P152 HydrophobicContact CB-CG 3.85Å
26I92.9Very high91.1Very high0 Ų056.5 Ų56.50%028%0.282CS..Hα-helixtrans-82.8-45.1168.6-67.6160.4000110.4I13 R22 I23 R24 Q28 V29 I41 F45 A54 A57 L58 K61I13-I26 HydrophobicContact CD1-CD1 4.19Å; I13-I26 HydrophobicContact CD1-CG1 3.7Å; I13-I26 HydrophobicContact CG1-CG1 4.36Å; R22-I26 WeakPolarHBondContact O-CG1 3.29Å; R22-I26 PolarHBondContact O-N 2.94Å; R22-I26 VanDerWaalsContact O-N 3.08Å; I23-I26 WeakPolarHBondContact O-CA 3.42Å; I23-I26 WeakPolarHBondContact O-CB 3.43Å; I23-I26 PolarHBondContact O-N 2.98Å; R24-I26 PolarHBondContact O-N 3.46Å; I26-Q28 PolarHBondContact O-N 2.66Å; I26-V29 WeakPolarHBondContact O-CB 3.43Å; I26-V29 PolarHBondContact O-N 2.79Å; I26-V29 VanDerWaalsContact O-N 3.08Å; I26-I41 HydrophobicContact CD1-CG2 3.57Å; I26-I41 HydrophobicContact CG1-CG2 4.26Å; I26-F45 HydrophobicContact CD1-CE2 3.84Å; I26-F45 HydrophobicContact CD1-CZ 3.77Å; I26-A54 HydrophobicContact CD1-CB 4.2Å; I26-A57 HydrophobicContact CG2-CB 4.07Å; I26-L58 HydrophobicContact CG2-CD2 3.45Å; I26-L58 VanDerWaalsContact CG2-CD2 3.45Å; I26-L58 HydrophobicContact CG2-CG 3.73Å; I26-K61 WeakPolarHBondContact O-CE 3.43Å
27E91.1Very high91.3Very high103 Ų10357.3 Ų57.348%0.48129%0.286SS..Hα-helixtrans-56.8-34178.9-70.4175.5155.900112.9I23 R24 A57 K61I23-E27 HydrophobicContact CG2-CG 4.44Å; I23-E27 WeakPolarHBondContact O-CG 3.23Å; I23-E27 PolarHBondContact O-N 3.48Å; R24-E27 PolarHBondContact O-N 3.03Å; E27-A57 HydrophobicContact CG-CB 3.73Å; E27-K61 VanDerWaalsContact O-CE 3.31Å; E27-K61 WeakPolarHBondContact O-CE 3.3Å; E27-K61 PolarHBondContact O-NZ 2.67Å
28Q89.6Confident91.7Very high57 Ų5751.6 Ų51.627%0.26625%0.251SS..THydrogen-bonded Turntrans-81.4-10.8179.6-71.3170.756.500114.7R24 I26 H30 Y147 P152R24-Q28 WeakPolarHBondContact O-CB 3.47Å; R24-Q28 VanDerWaalsContact O-CG 3.3Å; R24-Q28 WeakPolarHBondContact O-CG 3.36Å; R24-Q28 PolarHBondContact O-N 3.46Å; R24-Q28 PolarHBondContact O-NE2 2.82Å; I26-Q28 PolarHBondContact O-N 2.66Å; Q28-H30 PolarHBondContact O-N 2.99Å; Q28-Y147 HydrophobicContact CB-CD1 4.02Å; Q28-Y147 HydrophobicContact CB-CE1 4.09Å; Q28-P152 HydrophobicContact CB-CG 4.36Å
29V91.5Very high91.9Very high4 Ų449.3 Ų49.32%0.02424%0.239CC..  trans-66.6132.8177.7179.60000110.7M1 V9 A25 I26 F33 K61 P146 Y147M1-V29 HydrophobicContact CE-CG1 4.19Å; M1-V29 HydrophobicContact SD-CG1 4.21Å; V9-V29 HydrophobicContact CB-CG2 4.42Å; V9-V29 HydrophobicContact CG1-CG2 3.85Å; V9-V29 HydrophobicContact CG2-CG1 4.07Å; V9-V29 HydrophobicContact CG2-CG2 3.62Å; A25-V29 VanDerWaalsContact O-CG2 3.29Å; A25-V29 WeakPolarHBondContact O-CG2 3.36Å; I26-V29 WeakPolarHBondContact O-CB 3.43Å; I26-V29 PolarHBondContact O-N 2.79Å; I26-V29 VanDerWaalsContact O-N 3.08Å; V29-F33 HydrophobicContact CB-CE2 4.33Å; V29-F33 HydrophobicContact CB-CZ 3.93Å; V29-F33 HydrophobicContact CG1-CE1 4.46Å; V29-F33 HydrophobicContact CG1-CE2 4.19Å; V29-F33 HydrophobicContact CG1-CZ 3.7Å; V29-F33 HydrophobicContact CG2-CZ 4.03Å; V29-K61 PolarHBondContact O-NZ 3.16Å; V29-P146 WeakPolarHBondContact CA-O 3.48Å; V29-P146 HydrophobicContact CG1-CB 4.23Å; V29-Y147 HydrophobicContact CG2-CE1 3.64Å
30H88.6Confident92.1Very high144 Ų14449.9 Ų49.967%0.66724%0.237SC*.  trans-98.2132.8167.4-169.580.7000110.7Q28 P146 P148Q28-H30 PolarHBondContact O-N 2.99Å; H30-P146 PolarHBondContact N-O 2.7Å; H30-P148 HydrophobicContact CB-CG 3.77Å
31G88Confident92.3Very high28 Ų2845.5 Ų45.529%0.28921%0.214SC..SBendtrans112.5172-173.700000113.3
32Y90.8Very high92.5Very high116 Ų11643.4 Ų43.446%0.45520%0.204SC..  trans-108.5139.4-176.6-63.7-86.1000112.7M1 K61 P132M1-Y32 WeakPolarHBondContact CB-O 3.33Å; M1-Y32 PolarHBondContact N-O 3.31Å; Y32-K61 CarbonylContact C-O 3.37Å; Y32-K61 WeakPolarHBondContact CA-O 3.42Å; Y32-P132 HydrophobicContact CD1-CG 3.68Å; Y32-P132 HydrophobicContact CD2-CG 4.24Å; Y32-P132 HydrophobicContact CE1-CG 3.56Å; Y32-P132 HydrophobicContact CE2-CG 4.12Å; Y32-P132 HydrophobicContact CG-CG 4.05Å
33F92.8Very high92.5Very high0 Ų048.5 Ų48.50%023%0.228CC..BIsolated β-bridgetrans-93.4145.2177.3-59.4-86.2000112.1M1 F6 V9 V29 Q37 V38 I41 L58 K61 V63M1-F33 HydrophobicContact CE-CD1 3.73Å; M1-F33 HydrophobicContact CE-CE1 3.34Å; M1-F33 HydrophobicContact CE-CZ 4.07Å; F6-F33 HydrophobicContact CD2-CD1 4.22Å; F6-F33 HydrophobicContact CD2-CE1 4.26Å; F6-F33 HydrophobicContact CE2-CD1 4.31Å; F6-F33 HydrophobicContact CE2-CE1 4.44Å; V9-F33 HydrophobicContact CG1-CE1 4.23Å; V9-F33 HydrophobicContact CG1-CZ 4.39Å; V29-F33 HydrophobicContact CB-CE2 4.33Å; V29-F33 HydrophobicContact CB-CZ 3.93Å; V29-F33 HydrophobicContact CG1-CE1 4.46Å; V29-F33 HydrophobicContact CG1-CE2 4.19Å; V29-F33 HydrophobicContact CG1-CZ 3.7Å; V29-F33 HydrophobicContact CG2-CZ 4.03Å; F33-Q37 HydrophobicContact CB-CB 4.2Å; F33-Q37 HydrophobicContact CD1-CB 4.18Å; F33-V38 HydrophobicContact CB-CG2 3.97Å; F33-I41 HydrophobicContact CD1-CD1 3.76Å; F33-I41 HydrophobicContact CE1-CD1 3.44Å; F33-I41 VanDerWaalsContact CE1-CD1 3.44Å; F33-I41 HydrophobicContact CZ-CD1 4Å; F33-L58 HydrophobicContact CD2-CD2 3.46Å; F33-L58 VanDerWaalsContact CD2-CD2 3.46Å; F33-L58 HydrophobicContact CE2-CD2 3.48Å; F33-L58 VanDerWaalsContact CE2-CD2 3.48Å; F33-L58 HydrophobicContact CG-CD2 4.08Å; F33-L58 HydrophobicContact CZ-CD2 4.09Å; F33-K61 HydrophobicContact CD2-CB 3.84Å; F33-K61 WeakPolarHBondContact CD2-O 3.41Å; F33-K61 HydrophobicContact CE2-CB 4Å; F33-K61 HydrophobicContact CE2-CD 4Å; F33-K61 PolarHBondContact N-O 2.92Å; F33-V63 WeakPolarHBondContact O-CG2 3.42Å; F33-V63 PolarHBondContact O-N 3.29Å; F33-V63 VanDerWaalsContact O-N 3.07Å
34S92.9Very high92.4Very high31 Ų3150.1 Ų50.122%0.21723%0.233CC..  trans-78.9166.1165680000112.4E36 Q37 V38S34-E36 PolarHBondContact O-N 3.3Å; S34-Q37 PolarHBondContact O-N 2.66Å; S34-Q37 WeakPolarHBondContact OG-CG 3.35Å; S34-Q37 PolarHBondContact OG-N 2.97Å; S34-V38 WeakPolarHBondContact O-CG2 3.4Å; S34-V38 PolarHBondContact O-N 3.1Å
35S92.8Very high92.5Very high9 Ų944.4 Ų44.46%0.06321%0.211CC..Hα-helixtrans-51-42.817224.10000113.3V38 M39S35-V38 PolarHBondContact O-N 3.06Å; S35-M39 WeakPolarHBondContact O-CG 3.28Å; S35-M39 PolarHBondContact O-N 3.42Å
36E93.5Very high92.3Very high81 Ų8149.4 Ų49.438%0.37925%0.246SC..Hα-helixtrans-66.3-44.4-179.2-68.769-163.500110.8S34 V38 M39 E40 K69S34-E36 PolarHBondContact O-N 3.3Å; E36-V38 VanDerWaalsContact C-N 3.33Å; E36-V38 PolarHBondContact O-N 2.62Å; E36-M39 PolarHBondContact O-N 3.26Å; E36-E40 PolarHBondContact O-N 2.91Å; E36-K69 WeakPolarHBondContact OE1-CD 3.49Å; E36-K69 VanDerWaalsContact OE1-CE 3.28Å; E36-K69 WeakPolarHBondContact OE1-CE 3.4Å; E36-K69 IonicContact OE1-NZ 3.34Å; E36-K69 PolarHBondContact OE1-NZ 3.46Å
37Q94.3Very high92Very high21 Ų2158.9 Ų58.910%0.09828%0.283CS..Hα-helixtrans-64-38.1176.2-73.1174.3-27.600111.6M1 F6 F33 S34 E40 I41M1-Q37 PolarHBondContact O-NE2 3.3Å; F6-Q37 HydrophobicContact CD1-CG 3.97Å; F6-Q37 HydrophobicContact CD2-CB 3.91Å; F6-Q37 HydrophobicContact CD2-CG 3.75Å; F6-Q37 HydrophobicContact CE1-CB 4.36Å; F6-Q37 HydrophobicContact CE1-CG 3.92Å; F6-Q37 HydrophobicContact CE2-CB 3.48Å; F6-Q37 VanDerWaalsContact CE2-CB 3.48Å; F6-Q37 HydrophobicContact CE2-CG 3.72Å; F6-Q37 HydrophobicContact CG-CG 3.87Å; F6-Q37 HydrophobicContact CZ-CB 3.74Å; F6-Q37 HydrophobicContact CZ-CG 3.8Å; F6-Q37 WeakPolarHBondContact CZ-O 3.26Å; F33-Q37 HydrophobicContact CB-CB 4.2Å; F33-Q37 HydrophobicContact CD1-CB 4.18Å; S34-Q37 PolarHBondContact O-N 2.66Å; S34-Q37 WeakPolarHBondContact OG-CG 3.35Å; S34-Q37 PolarHBondContact OG-N 2.97Å; Q37-E40 PolarHBondContact O-N 3.45Å; Q37-I41 WeakPolarHBondContact O-CG1 3.28Å; Q37-I41 PolarHBondContact O-N 3Å
38V94.8Very high92Very high0 Ų054.9 Ų54.90%027%0.267CS..Hα-helixtrans-64.3-49.6172.7169.10000111.4F33 S34 S35 E36 E40 I41 L42 L58 M62 I73F33-V38 HydrophobicContact CB-CG2 3.97Å; S34-V38 WeakPolarHBondContact O-CG2 3.4Å; S34-V38 PolarHBondContact O-N 3.1Å; S35-V38 PolarHBondContact O-N 3.06Å; E36-V38 VanDerWaalsContact C-N 3.33Å; E36-V38 PolarHBondContact O-N 2.62Å; V38-E40 PolarHBondContact O-N 3.42Å; V38-I41 PolarHBondContact O-N 2.79Å; V38-L42 HydrophobicContact CG1-CD1 4.06Å; V38-L42 HydrophobicContact CG1-CG 4.43Å; V38-L42 WeakPolarHBondContact O-CG 3.18Å; V38-L42 PolarHBondContact O-N 2.86Å; V38-L58 HydrophobicContact CG1-CD1 4.03Å; V38-L58 HydrophobicContact CG2-CD1 4.19Å; V38-L58 HydrophobicContact CG2-CD2 4.5Å; V38-M62 HydrophobicContact CG1-CE 4.34Å; V38-M62 HydrophobicContact CG2-CE 4.15Å; V38-M62 HydrophobicContact CG2-CG 3.72Å; V38-M62 HydrophobicContact CG2-SD 3.97Å; V38-I73 HydrophobicContact CG1-CD1 4.31Å; V38-I73 HydrophobicContact CG1-CG1 4.47Å; V38-I73 HydrophobicContact CG1-CG2 4.38Å
39M94.3Very high92.1Very high52 Ų5257.3 Ų57.326%0.25628%0.278SS..Hα-helixtrans-57.6-38.2177.2-72.9173.264.200112.2S35 E36 N72 I73S35-M39 WeakPolarHBondContact O-CG 3.28Å; S35-M39 PolarHBondContact O-N 3.42Å; E36-M39 PolarHBondContact O-N 3.26Å; M39-N72 HydrophobicContact CE-CB 3.79Å; M39-N72 HydrophobicContact SD-CB 3.55Å; M39-N72 VanDerWaalsContact SD-CB 3.55Å; M39-I73 HydrophobicContact CG-CG1 3.8Å; M39-I73 HydrophobicContact SD-CG1 4.49Å
40E94.7Very high92.2Very high70 Ų7058.1 Ų58.133%0.32728%0.284SS..Hα-helixtrans-72.3-39.3176.9-177.8165.2-170.800112.7F6 L10 E36 Q37 V38 L42 K43 Y44F6-E40 HydrophobicContact CE1-CG 4.46Å; F6-E40 HydrophobicContact CZ-CB 4.11Å; F6-E40 HydrophobicContact CZ-CG 4.29Å; L10-E40 HydrophobicContact CD1-CG 3.95Å; L10-E40 WeakPolarHBondContact CD1-OE1 3.42Å; E36-E40 PolarHBondContact O-N 2.91Å; Q37-E40 PolarHBondContact O-N 3.45Å; V38-E40 PolarHBondContact O-N 3.42Å; E40-L42 VanDerWaalsContact C-N 3.3Å; E40-L42 PolarHBondContact O-N 3.07Å; E40-K43 WeakPolarHBondContact O-CB 3.34Å; E40-K43 PolarHBondContact O-N 3.4Å; E40-Y44 HydrophobicContact CG-CE2 4.27Å; E40-Y44 VanDerWaalsContact O-CD2 3.23Å; E40-Y44 WeakPolarHBondContact O-CD2 3.39Å; E40-Y44 VanDerWaalsContact O-CE2 3.23Å; E40-Y44 WeakPolarHBondContact O-CE2 3.28Å
41I95Very high92.5Very high0 Ų052.4 Ų52.40%026%0.257CS..Hα-helixtrans-58.5-41.7171.4-75.3168.6000111.4F6 L10 I13 I26 F33 Q37 V38 K43 Y44 F45 L58F6-I41 HydrophobicContact CE2-CD1 3.89Å; F6-I41 HydrophobicContact CE2-CG1 3.93Å; F6-I41 HydrophobicContact CZ-CG1 4.38Å; L10-I41 HydrophobicContact CD2-CG1 3.84Å; I13-I41 HydrophobicContact CD1-CD1 4.44Å; I13-I41 HydrophobicContact CD1-CG1 4.12Å; I13-I41 HydrophobicContact CD1-CG2 4.27Å; I26-I41 HydrophobicContact CD1-CG2 3.57Å; I26-I41 HydrophobicContact CG1-CG2 4.26Å; F33-I41 HydrophobicContact CD1-CD1 3.76Å; F33-I41 HydrophobicContact CE1-CD1 3.44Å; F33-I41 VanDerWaalsContact CE1-CD1 3.44Å; F33-I41 HydrophobicContact CZ-CD1 4Å; Q37-I41 WeakPolarHBondContact O-CG1 3.28Å; Q37-I41 PolarHBondContact O-N 3Å; V38-I41 PolarHBondContact O-N 2.79Å; I41-K43 PolarHBondContact O-N 3.46Å; I41-Y44 PolarHBondContact O-N 3.25Å; I41-Y44 VanDerWaalsContact O-N 3.11Å; I41-F45 HydrophobicContact CG2-CE2 4.05Å; I41-F45 WeakPolarHBondContact O-CD2 3.46Å; I41-L58 HydrophobicContact CD1-CD2 4.22Å; I41-L58 HydrophobicContact CG2-CD1 4.18Å
42L94.6Very high92.9Very high2 Ų252.2 Ų52.21%0.0125%0.25CC..Hα-helixtrans-64.3-23.5-178.3-68.6174.3000113.5V38 E40 Y44 F45 Q51 A54 V55 I73 C76 F77V38-L42 HydrophobicContact CG1-CD1 4.06Å; V38-L42 HydrophobicContact CG1-CG 4.43Å; V38-L42 WeakPolarHBondContact O-CG 3.18Å; V38-L42 PolarHBondContact O-N 2.86Å; E40-L42 VanDerWaalsContact C-N 3.3Å; E40-L42 PolarHBondContact O-N 3.07Å; L42-Y44 PolarHBondContact O-N 3.46Å; L42-F45 PolarHBondContact O-N 2.98Å; L42-Q51 HydrophobicContact CD2-CB 4.11Å; L42-Q51 HydrophobicContact CD2-CG 4.36Å; L42-A54 HydrophobicContact CD2-CB 4.06Å; L42-V55 HydrophobicContact CD1-CG2 4.07Å; L42-V55 HydrophobicContact CD2-CG2 3.91Å; L42-I73 HydrophobicContact CD1-CG2 4.17Å; L42-C76 HydrophobicContact CD1-CB 4.32Å; L42-F77 HydrophobicContact CD1-CE2 4.09Å; L42-F77 HydrophobicContact CD1-CZ 4.25Å
43K93.6Very high93.1Very high159 Ų15951.2 Ų51.269%0.69125%0.247SC*.THydrogen-bonded Turntrans-62.9-23.2174.1-63.3173-173.61740113.4E40 I41 F45E40-K43 WeakPolarHBondContact O-CB 3.34Å; E40-K43 PolarHBondContact O-N 3.4Å; I41-K43 PolarHBondContact O-N 3.46Å; K43-F45 PolarHBondContact O-N 3.43Å
44Y92.3Very high93.2Very high51 Ų5151.2 Ų51.220%0.225%0.247CC..THydrogen-bonded Turntrans-85.18.3179.1-58.5-86.9000113.3L10 I13 R14 R22 E40 I41 L42L10-Y44 HydrophobicContact CD1-CE2 4.45Å; L10-Y44 HydrophobicContact CD2-CD2 4.27Å; L10-Y44 HydrophobicContact CD2-CE2 3.7Å; I13-Y44 HydrophobicContact CG2-CD2 4.46Å; I13-Y44 HydrophobicContact CG2-CG 4.07Å; R14-Y44 HydrophobicContact CG-CD1 3.94Å; R14-Y44 HydrophobicContact CG-CE1 3.48Å; R14-Y44 VanDerWaalsContact CG-CE1 3.48Å; R14-Y44 PolarHBondContact NE-OH 2.87Å; R14-Y44 VanDerWaalsContact NE-OH 3.16Å; R14-Y44 PolarHBondContact NH2-OH 3.3Å; R22-Y44 PolarHBondContact NH1-O 3.21Å; E40-Y44 HydrophobicContact CG-CE2 4.27Å; E40-Y44 VanDerWaalsContact O-CD2 3.23Å; E40-Y44 WeakPolarHBondContact O-CD2 3.39Å; E40-Y44 VanDerWaalsContact O-CE2 3.23Å; E40-Y44 WeakPolarHBondContact O-CE2 3.28Å; I41-Y44 PolarHBondContact O-N 3.25Å; I41-Y44 VanDerWaalsContact O-N 3.11Å; L42-Y44 PolarHBondContact O-N 3.46Å
45F92.4Very high93.4Very high4 Ų449.7 Ų49.72%0.01824%0.237CC..  trans-123.7113.6176.1-64.2-86.8000110.2R22 I23 I26 I41 L42 K43 W47 P50 Q51 A54R22-F45 HydrophobicContact CB-CE1 3.69Å; R22-F45 HydrophobicContact CB-CZ 3.56Å; I23-F45 HydrophobicContact CG1-CE1 3.99Å; I23-F45 HydrophobicContact CG1-CZ 4.29Å; I26-F45 HydrophobicContact CD1-CE2 3.84Å; I26-F45 HydrophobicContact CD1-CZ 3.77Å; I41-F45 HydrophobicContact CG2-CE2 4.05Å; I41-F45 WeakPolarHBondContact O-CD2 3.46Å; L42-F45 PolarHBondContact O-N 2.98Å; K43-F45 PolarHBondContact O-N 3.43Å; F45-W47 VanDerWaalsContact C-N 3.31Å; F45-W47 PolarHBondContact O-N 3.43Å; F45-P50 HydrophobicContact CB-CB 4.3Å; F45-P50 HydrophobicContact CD1-CB 3.75Å; F45-P50 HydrophobicContact CG-CB 4.44Å; F45-Q51 HydrophobicContact CB-CG 3.58Å; F45-Q51 PolarHBondContact O-NE2 3.48Å; F45-A54 HydrophobicContact CD2-CB 3.98Å; F45-A54 HydrophobicContact CE1-CB 4.25Å; F45-A54 HydrophobicContact CE2-CB 3.59Å; F45-A54 HydrophobicContact CG-CB 4.46Å; F45-A54 HydrophobicContact CZ-CB 3.72Å
46S87.4Confident93.5Very high105 Ų10555.5 Ų55.573%0.73426%0.261SS*.  trans-77.3-7.8-169.8-37.40000115.7
47W87.1Confident93.5Very high200 Ų20052.4 Ų52.476%0.75825%0.249SC*.SBendtrans-141.6149.7-171.6-60.598.9000111.2F45 E49 P50 Q51F45-W47 VanDerWaalsContact C-N 3.31Å; F45-W47 PolarHBondContact O-N 3.43Å; W47-E49 PolarHBondContact O-N 2.62Å; W47-P50 HydrophobicContact CB-CG 4.28Å; W47-P50 WeakPolarHBondContact O-CD 3.2Å; W47-Q51 VanDerWaalsContact O-CG 3.3Å; W47-Q51 WeakPolarHBondContact O-CG 3.4Å; W47-Q51 PolarHBondContact O-N 3.07Å; W47-Q51 VanDerWaalsContact O-N 3.09Å
48A90.4Very high93.5Very high19 Ų1951.4 Ų51.416%0.15724%0.244CC..Hα-helixtrans-59.6-40.5-175.800000113.7Q51 I52 F77 D82A48-Q51 CarbonylContact O-C 3.52Å; A48-Q51 WeakPolarHBondContact O-CB 3.36Å; A48-Q51 PolarHBondContact O-N 3.06Å; A48-Q51 VanDerWaalsContact O-N 3.12Å; A48-I52 WeakPolarHBondContact O-CB 3.41Å; A48-I52 VanDerWaalsContact O-CG1 3.24Å; A48-I52 WeakPolarHBondContact O-CG1 3.3Å; A48-I52 PolarHBondContact O-N 3.28Å; A48-F77 HydrophobicContact CB-CD1 4.41Å; A48-D82 HydrophobicContact CB-CB 4.37Å; A48-D82 WeakPolarHBondContact CB-OD2 3.44Å
49E92.9Very high93.4Very high107 Ų10753.1 Ų53.150%0.525%0.253SS..Hα-helixtrans-61.4-50.9-179169.364.9-161.300112.7W47 Q51 I52 K53W47-E49 PolarHBondContact O-N 2.62Å; E49-Q51 PolarHBondContact O-N 3.32Å; E49-I52 PolarHBondContact O-N 3.37Å; E49-K53 PolarHBondContact O-N 2.85Å; E49-K53 VanDerWaalsContact O-N 3.16Å; E49-K53 WeakPolarHBondContact OE1-CE 3.23Å; E49-K53 IonicContact OE1-NZ 2.76Å; E49-K53 PolarHBondContact OE1-NZ 3.48Å
50P93.5Very high93.2Very high22 Ų2257.7 Ų57.714%0.14327%0.273CS..Hα-helixtrans-58-38.9166.2-27.333.7000114.9T19 F45 W47 K53 A54T19-P50 HydrophobicContact CG2-CB 4.08Å; T19-P50 HydrophobicContact CG2-CG 4.07Å; F45-P50 HydrophobicContact CB-CB 4.3Å; F45-P50 HydrophobicContact CD1-CB 3.75Å; F45-P50 HydrophobicContact CG-CB 4.44Å; W47-P50 HydrophobicContact CB-CG 4.28Å; W47-P50 WeakPolarHBondContact O-CD 3.2Å; P50-K53 PolarHBondContact O-N 2.97Å; P50-A54 WeakPolarHBondContact O-CB 3.16Å; P50-A54 PolarHBondContact O-N 3.3Å
51Q95Very high93Very high24 Ų2456.2 Ų56.211%0.11227%0.266CS..Hα-helixtrans-64.5-41.9177.5-72.4170.5-6.800112.1L42 F45 W47 A48 E49 K53 A54 V55 F77L42-Q51 HydrophobicContact CD2-CB 4.11Å; L42-Q51 HydrophobicContact CD2-CG 4.36Å; F45-Q51 HydrophobicContact CB-CG 3.58Å; F45-Q51 PolarHBondContact O-NE2 3.48Å; W47-Q51 VanDerWaalsContact O-CG 3.3Å; W47-Q51 WeakPolarHBondContact O-CG 3.4Å; W47-Q51 PolarHBondContact O-N 3.07Å; W47-Q51 VanDerWaalsContact O-N 3.09Å; A48-Q51 CarbonylContact O-C 3.52Å; A48-Q51 WeakPolarHBondContact O-CB 3.36Å; A48-Q51 PolarHBondContact O-N 3.06Å; A48-Q51 VanDerWaalsContact O-N 3.12Å; E49-Q51 PolarHBondContact O-N 3.32Å; Q51-K53 VanDerWaalsContact C-N 3.33Å; Q51-K53 PolarHBondContact O-N 2.92Å; Q51-A54 WeakPolarHBondContact O-CB 3.09Å; Q51-A54 PolarHBondContact O-N 3.19Å; Q51-V55 WeakPolarHBondContact O-CG2 3.46Å; Q51-V55 PolarHBondContact O-N 3.3Å; Q51-F77 HydrophobicContact CB-CD1 4.35Å; Q51-F77 HydrophobicContact CB-CE1 3.4Å; Q51-F77 HydrophobicContact CB-CZ 3.76Å; Q51-F77 HydrophobicContact CG-CE1 4.44Å
52I95.7Very high92.9Very high24 Ų2456.2 Ų56.212%0.12327%0.266CS..Hα-helixtrans-61.6-42.9175.7-69.3163.4000110.1A48 E49 V55 K56 F77 D82 V85 V86 L89A48-I52 WeakPolarHBondContact O-CB 3.41Å; A48-I52 VanDerWaalsContact O-CG1 3.24Å; A48-I52 WeakPolarHBondContact O-CG1 3.3Å; A48-I52 PolarHBondContact O-N 3.28Å; E49-I52 PolarHBondContact O-N 3.37Å; I52-V55 PolarHBondContact O-N 3.16Å; I52-K56 WeakPolarHBondContact O-CB 3.28Å; I52-K56 PolarHBondContact O-N 3.03Å; I52-F77 HydrophobicContact CG1-CD1 4.46Å; I52-F77 HydrophobicContact CG1-CE1 3.93Å; I52-D82 HydrophobicContact CD1-CB 4.1Å; I52-V85 HydrophobicContact CG2-CG1 3.94Å; I52-V86 HydrophobicContact CG1-CG2 3.94Å; I52-L89 HydrophobicContact CG2-CD1 3.88Å
53K95.1Very high92.8Very high94 Ų9457.1 Ų57.141%0.40927%0.271SS..Hα-helixtrans-62.4-41.5173.8-74.8165.5168.2156.70112.2I23 E49 P50 Q51 K56 A57I23-K53 HydrophobicContact CD1-CB 3.69Å; I23-K53 HydrophobicContact CD1-CD 4.31Å; I23-K53 HydrophobicContact CG1-CB 4.41Å; E49-K53 PolarHBondContact O-N 2.85Å; E49-K53 VanDerWaalsContact O-N 3.16Å; E49-K53 WeakPolarHBondContact OE1-CE 3.23Å; E49-K53 IonicContact OE1-NZ 2.76Å; E49-K53 PolarHBondContact OE1-NZ 3.48Å; P50-K53 PolarHBondContact O-N 2.97Å; Q51-K53 VanDerWaalsContact C-N 3.33Å; Q51-K53 PolarHBondContact O-N 2.92Å; K53-K56 PolarHBondContact O-N 2.95Å; K53-A57 PolarHBondContact O-N 3.22Å
54A95.6Very high92.8Very high0 Ų050.1 Ų50.10%024%0.243CC..Hα-helixtrans-63.4-44.6174.200000112.1I26 L42 F45 P50 Q51 K56 A57 L58I26-A54 HydrophobicContact CD1-CB 4.2Å; L42-A54 HydrophobicContact CD2-CB 4.06Å; F45-A54 HydrophobicContact CD2-CB 3.98Å; F45-A54 HydrophobicContact CE1-CB 4.25Å; F45-A54 HydrophobicContact CE2-CB 3.59Å; F45-A54 HydrophobicContact CG-CB 4.46Å; F45-A54 HydrophobicContact CZ-CB 3.72Å; P50-A54 WeakPolarHBondContact O-CB 3.16Å; P50-A54 PolarHBondContact O-N 3.3Å; Q51-A54 WeakPolarHBondContact O-CB 3.09Å; Q51-A54 PolarHBondContact O-N 3.19Å; A54-K56 VanDerWaalsContact C-N 3.32Å; A54-K56 PolarHBondContact O-N 2.84Å; A54-A57 PolarHBondContact O-N 3.22Å; A54-L58 WeakPolarHBondContact O-CB 3.33Å; A54-L58 WeakPolarHBondContact O-CD1 3.36Å; A54-L58 VanDerWaalsContact O-CG 3.23Å; A54-L58 WeakPolarHBondContact O-CG 3.44Å; A54-L58 PolarHBondContact O-N 3.17Å
55V96.1Very high92.9Very high0 Ų047.8 Ų47.80%023%0.234CC..Hα-helixtrans-57.5-44.2172.7171.60000111.1L42 Q51 I52 A57 L58 Q59 F77 V86 L89 I90L42-V55 HydrophobicContact CD1-CG2 4.07Å; L42-V55 HydrophobicContact CD2-CG2 3.91Å; Q51-V55 WeakPolarHBondContact O-CG2 3.46Å; Q51-V55 PolarHBondContact O-N 3.3Å; I52-V55 PolarHBondContact O-N 3.16Å; V55-A57 VanDerWaalsContact C-N 3.32Å; V55-A57 PolarHBondContact O-N 3.35Å; V55-L58 CarbonylContact O-C 2.9Å; V55-L58 WeakPolarHBondContact O-CA 3.39Å; V55-L58 PolarHBondContact O-N 3.19Å; V55-Q59 PolarHBondContact O-N 2.9Å; V55-F77 HydrophobicContact CG2-CE2 4.38Å; V55-F77 HydrophobicContact CG2-CZ 3.87Å; V55-V86 HydrophobicContact CG1-CG1 4.27Å; V55-V86 HydrophobicContact CG2-CG1 4.3Å; V55-L89 HydrophobicContact CG1-CB 4.12Å; V55-L89 HydrophobicContact CG1-CD1 4.21Å; V55-I90 HydrophobicContact CG1-CG2 3.44Å; V55-I90 VanDerWaalsContact CG1-CG2 3.44Å
56K95.1Very high92.9Very high131 Ų13149.8 Ų49.857%0.5725%0.247SC*.Hα-helixtrans-62-37.1177.9-172.5176.5179.2-178.30112.7I52 K53 A54 L58 Q59 L89I52-K56 WeakPolarHBondContact O-CB 3.28Å; I52-K56 PolarHBondContact O-N 3.03Å; K53-K56 PolarHBondContact O-N 2.95Å; A54-K56 VanDerWaalsContact C-N 3.32Å; A54-K56 PolarHBondContact O-N 2.84Å; K56-L58 VanDerWaalsContact C-N 3.34Å; K56-Q59 WeakPolarHBondContact O-CG 3.36Å; K56-L89 HydrophobicContact CB-CD1 4.21Å; K56-L89 HydrophobicContact CB-CD2 4.33Å; K56-L89 HydrophobicContact CD-CD2 4.45Å; K56-L89 HydrophobicContact CG-CD2 4.18Å
57A94.1Very high93.1Very high15 Ų1544.8 Ų44.812%0.12421%0.212CC..Hα-helixtrans-69.9-30.1172.300000113.1I23 I26 E27 K53 A54 V55I23-A57 HydrophobicContact CG2-CB 4.21Å; I26-A57 HydrophobicContact CG2-CB 4.07Å; E27-A57 HydrophobicContact CG-CB 3.73Å; K53-A57 PolarHBondContact O-N 3.22Å; A54-A57 PolarHBondContact O-N 3.22Å; V55-A57 VanDerWaalsContact C-N 3.32Å; V55-A57 PolarHBondContact O-N 3.35Å
58L93.8Very high93.4Very high0 Ų038.3 Ų38.30%020%0.195CC..Hα-helixtrans-81.2-24177.3-68.4162.9000113.4I26 F33 V38 I41 A54 V55 K56 H60 K61 M62I26-L58 HydrophobicContact CG2-CD2 3.45Å; I26-L58 VanDerWaalsContact CG2-CD2 3.45Å; I26-L58 HydrophobicContact CG2-CG 3.73Å; F33-L58 HydrophobicContact CD2-CD2 3.46Å; F33-L58 VanDerWaalsContact CD2-CD2 3.46Å; F33-L58 HydrophobicContact CE2-CD2 3.48Å; F33-L58 VanDerWaalsContact CE2-CD2 3.48Å; F33-L58 HydrophobicContact CG-CD2 4.08Å; F33-L58 HydrophobicContact CZ-CD2 4.09Å; V38-L58 HydrophobicContact CG1-CD1 4.03Å; V38-L58 HydrophobicContact CG2-CD1 4.19Å; V38-L58 HydrophobicContact CG2-CD2 4.5Å; I41-L58 HydrophobicContact CD1-CD2 4.22Å; I41-L58 HydrophobicContact CG2-CD1 4.18Å; A54-L58 WeakPolarHBondContact O-CB 3.33Å; A54-L58 WeakPolarHBondContact O-CD1 3.36Å; A54-L58 VanDerWaalsContact O-CG 3.23Å; A54-L58 WeakPolarHBondContact O-CG 3.44Å; A54-L58 PolarHBondContact O-N 3.17Å; V55-L58 CarbonylContact O-C 2.9Å; V55-L58 WeakPolarHBondContact O-CA 3.39Å; V55-L58 PolarHBondContact O-N 3.19Å; K56-L58 VanDerWaalsContact C-N 3.34Å; L58-H60 PolarHBondContact O-N 3.14Å; L58-K61 CarbonylContact O-C 3.49Å; L58-K61 WeakPolarHBondContact O-CA 3.31Å; L58-K61 PolarHBondContact O-N 3.49Å; L58-M62 HydrophobicContact CB-CG 4.18Å; L58-M62 HydrophobicContact CB-SD 3.69Å; L58-M62 VanDerWaalsContact O-CG 3.28Å; L58-M62 WeakPolarHBondContact O-CG 3.35Å; L58-M62 PolarHBondContact O-N 3.44Å; L58-M62 VanDerWaalsContact O-N 3.09Å
59Q93.1Very high93.5Very high37 Ų3741 Ų4117%0.17320%0.203CC..THydrogen-bonded Turntrans-59.4-22.3-167.484.5-174.526.400115.5V55 K56 N93V55-Q59 PolarHBondContact O-N 2.9Å; K56-Q59 WeakPolarHBondContact O-CG 3.36Å; Q59-N93 PolarHBondContact O-ND2 3.15Å; Q59-N93 PolarHBondContact O-OD1 2.94Å
60H90.6Very high93.6Very high148 Ų14836 Ų3669%0.68518%0.18SC*.THydrogen-bonded Turntrans-103.40.9176.6-64-59.9000113.2L58L58-H60 PolarHBondContact O-N 3.14Å
61K90.3Very high93.6Very high39 Ų3935.1 Ų35.117%0.1718%0.175CC..SBendtrans-119.310179.4-53.6175.2-174.9-75.40111.5I26 E27 V29 Y32 F33 L58I26-K61 WeakPolarHBondContact O-CE 3.43Å; E27-K61 VanDerWaalsContact O-CE 3.31Å; E27-K61 WeakPolarHBondContact O-CE 3.3Å; E27-K61 PolarHBondContact O-NZ 2.67Å; V29-K61 PolarHBondContact O-NZ 3.16Å; Y32-K61 CarbonylContact C-O 3.37Å; Y32-K61 WeakPolarHBondContact CA-O 3.42Å; F33-K61 HydrophobicContact CD2-CB 3.84Å; F33-K61 WeakPolarHBondContact CD2-O 3.41Å; F33-K61 HydrophobicContact CE2-CB 4Å; F33-K61 HydrophobicContact CE2-CD 4Å; F33-K61 PolarHBondContact N-O 2.92Å; L58-K61 CarbonylContact O-C 3.49Å; L58-K61 WeakPolarHBondContact O-CA 3.31Å; L58-K61 PolarHBondContact O-N 3.49Å
62M91.9Very high93.6Very high0 Ų037.2 Ų37.20%019%0.186CC..BIsolated β-bridgetrans-94.7144.9178.1-77.21607100109.9V38 L58 I65 I73 I90 N93V38-M62 HydrophobicContact CG1-CE 4.34Å; V38-M62 HydrophobicContact CG2-CE 4.15Å; V38-M62 HydrophobicContact CG2-CG 3.72Å; V38-M62 HydrophobicContact CG2-SD 3.97Å; L58-M62 HydrophobicContact CB-CG 4.18Å; L58-M62 HydrophobicContact CB-SD 3.69Å; L58-M62 VanDerWaalsContact O-CG 3.28Å; L58-M62 WeakPolarHBondContact O-CG 3.35Å; L58-M62 PolarHBondContact O-N 3.44Å; L58-M62 VanDerWaalsContact O-N 3.09Å; M62-I65 HydrophobicContact CE-CD1 3.35Å; M62-I73 HydrophobicContact CE-CD1 4.2Å; M62-I90 HydrophobicContact CE-CB 4.42Å; M62-I90 HydrophobicContact CE-CG2 3.88Å; M62-I90 HydrophobicContact SD-CG2 4.43Å; M62-N93 WeakPolarHBondContact CB-OD1 3.44Å
63V93.4Very high93.5Very high20 Ų2036 Ų3612%0.12118%0.181CC..PPolyproline II helixtrans-73.4167.1164.3-58.30000109.9F33 I65 P132 A134F33-V63 WeakPolarHBondContact O-CG2 3.42Å; F33-V63 PolarHBondContact O-N 3.29Å; F33-V63 VanDerWaalsContact O-N 3.07Å; V63-I65 WeakPolarHBondContact O-CG1 3.3Å; V63-I65 PolarHBondContact O-N 2.82Å; V63-P132 CarbonylContact C-O 3.43Å; V63-P132 WeakPolarHBondContact CA-O 3.45Å; V63-A134 HydrophobicContact CB-CB 3.94Å; V63-A134 HydrophobicContact CG1-CB 4.14Å; V63-A134 HydrophobicContact CG2-CB 3.94Å
64A93.1Very high93.5Very high13 Ų1331.6 Ų31.611%0.10716%0.161CC..PPolyproline II helixtrans-61.7131171.500000111.4N93 A131 P132 V133A64-N93 CarbonylContact C-O 3.56Å; A64-N93 WeakPolarHBondContact CA-O 3.23Å; A64-A131 HydrophobicContact CB-CB 4.22Å; A64-P132 PolarHBondContact N-O 3.45Å; A64-V133 HydrophobicContact CB-CG2 4.47Å
65I93.9Very high93.4Very high2 Ų235.6 Ų35.61%0.0118%0.183CC..BIsolated β-bridgetrans-120.2129.5-169.4-47.9-167.8000110.5M62 V63 K69 V70 I73 N93 I94 S95M62-I65 HydrophobicContact CE-CD1 3.35Å; V63-I65 WeakPolarHBondContact O-CG1 3.3Å; V63-I65 PolarHBondContact O-N 2.82Å; I65-K69 HydrophobicContact CG2-CB 3.59Å; I65-V70 HydrophobicContact CB-CG2 4.15Å; I65-V70 HydrophobicContact CG2-CG2 3.85Å; I65-I73 HydrophobicContact CD1-CD1 3.76Å; I65-N93 PolarHBondContact N-O 3.18Å; I65-I94 WeakPolarHBondContact O-CA 3.23Å; I65-S95 PolarHBondContact O-N 3.17Å; I65-S95 PolarHBondContact O-OG 2.98Å
66P92.8Very high93.2Very high45 Ų4537.6 Ų37.629%0.29220%0.196SC..  trans-74.1151.9172.731.1-34.3000111.7T68 K69 V70 S95 D96P66-T68 PolarHBondContact O-N 3.17Å; P66-T68 VanDerWaalsContact O-N 3.14Å; P66-K69 HydrophobicContact CG-CB 4.14Å; P66-K69 HydrophobicContact CG-CG 3.74Å; P66-K69 WeakPolarHBondContact O-CA 3.5Å; P66-K69 WeakPolarHBondContact O-CB 3.48Å; P66-K69 PolarHBondContact O-N 2.85Å; P66-V70 PolarHBondContact O-N 2.95Å; P66-S95 WeakPolarHBondContact CA-OG 3.34Å; P66-D96 VanDerWaalsContact CA-OD1 3.3Å; P66-D96 WeakPolarHBondContact CA-OD1 3.27Å
67T92.4Very high93.1Very high0 Ų031.4 Ų31.40%017%0.169CC..Hα-helixtrans-66.4-24.8-166.9-57.80000112V70 A71 I94 D96 N99 V103T67-V70 PolarHBondContact O-N 3.12Å; T67-A71 PolarHBondContact O-N 2.83Å; T67-I94 VanDerWaalsContact OG1-CG2 3.23Å; T67-I94 WeakPolarHBondContact OG1-CG2 3.41Å; T67-D96 VanDerWaalsContact CB-OD1 3.29Å; T67-D96 WeakPolarHBondContact CB-OD1 3.36Å; T67-D96 PolarHBondContact N-OD1 2.94Å; T67-D96 PolarHBondContact N-OD2 3.47Å; T67-D96 PolarHBondContact OG1-OD1 2.78Å; T67-N99 WeakPolarHBondContact CB-O 3.5Å; T67-N99 WeakPolarHBondContact CG2-O 3.15Å; T67-V103 HydrophobicContact CG2-CB 3.98Å; T67-V103 HydrophobicContact CG2-CG2 3.47Å; T67-V103 VanDerWaalsContact CG2-CG2 3.47Å
68T91.8Very high92.9Very high65 Ų6535.8 Ų35.840%0.39920%0.195SC..Hα-helixtrans-63.1-37.9168.253.20000113.2P66 P102P66-T68 PolarHBondContact O-N 3.17Å; P66-T68 VanDerWaalsContact O-N 3.14Å; T68-P102 HydrophobicContact CG2-CG 3.87Å
69K93.3Very high92.8Very high75 Ų7542.5 Ų42.533%0.32622%0.224SC..Hα-helixtrans-82.1-31.2175.9-62.3-73.2-174.5164.50111.6E36 I65 P66 A71 N72 I73E36-K69 WeakPolarHBondContact OE1-CD 3.49Å; E36-K69 VanDerWaalsContact OE1-CE 3.28Å; E36-K69 WeakPolarHBondContact OE1-CE 3.4Å; E36-K69 IonicContact OE1-NZ 3.34Å; E36-K69 PolarHBondContact OE1-NZ 3.46Å; I65-K69 HydrophobicContact CG2-CB 3.59Å; P66-K69 HydrophobicContact CG-CB 4.14Å; P66-K69 HydrophobicContact CG-CG 3.74Å; P66-K69 WeakPolarHBondContact O-CA 3.5Å; P66-K69 WeakPolarHBondContact O-CB 3.48Å; P66-K69 PolarHBondContact O-N 2.85Å; K69-A71 VanDerWaalsContact C-N 3.33Å; K69-A71 PolarHBondContact O-N 3.26Å; K69-N72 WeakPolarHBondContact O-CB 3.35Å; K69-N72 PolarHBondContact O-N 2.88Å; K69-N72 VanDerWaalsContact O-N 3.15Å; K69-I73 PolarHBondContact O-N 3.01Å
70V94.7Very high92.7Very high1 Ų141.9 Ų41.91%0.00622%0.224CC..Hα-helixtrans-56.9-46.4169.1176.10000110.7I65 P66 T67 N72 I73 L74 L87 I90 I94 V103I65-V70 HydrophobicContact CB-CG2 4.15Å; I65-V70 HydrophobicContact CG2-CG2 3.85Å; P66-V70 PolarHBondContact O-N 2.95Å; T67-V70 PolarHBondContact O-N 3.12Å; V70-N72 PolarHBondContact O-N 3.17Å; V70-I73 PolarHBondContact O-N 3.16Å; V70-L74 HydrophobicContact CG1-CD1 4.31Å; V70-L74 HydrophobicContact CG1-CG 4.32Å; V70-L74 WeakPolarHBondContact O-CG 3.46Å; V70-L74 PolarHBondContact O-N 3.4Å; V70-L87 HydrophobicContact CG1-CD1 4.26Å; V70-I90 HydrophobicContact CG1-CD1 3.8Å; V70-I90 HydrophobicContact CG1-CG1 4.43Å; V70-I94 HydrophobicContact CG1-CD1 4.14Å; V70-I94 HydrophobicContact CG2-CD1 4.15Å; V70-I94 HydrophobicContact CG2-CG1 3.87Å; V70-I94 HydrophobicContact CG2-CG2 4.31Å; V70-V103 HydrophobicContact CB-CG2 4.15Å; V70-V103 HydrophobicContact CG1-CG2 3.78Å
71A94Very high92.8Very high5 Ų541.9 Ų41.94%0.04122%0.222CC..Hα-helixtrans-56.1-35.6176.300000112.9T67 K69 L74 N75 P102 V103 L106T67-A71 PolarHBondContact O-N 2.83Å; K69-A71 VanDerWaalsContact C-N 3.33Å; K69-A71 PolarHBondContact O-N 3.26Å; A71-L74 PolarHBondContact O-N 3.19Å; A71-N75 PolarHBondContact O-N 3.25Å; A71-N75 PolarHBondContact O-ND2 3.26Å; A71-P102 HydrophobicContact CB-CB 4.1Å; A71-V103 HydrophobicContact CB-CG2 4.3Å; A71-L106 HydrophobicContact CB-CD1 4.02Å
72N94Very high93Very high67 Ų6741.6 Ų41.636%0.35822%0.222SC..Hα-helixtrans-70.1-36.8176.4-62.5-22000112.9M39 K69 V70 N75M39-N72 HydrophobicContact CE-CB 3.79Å; M39-N72 HydrophobicContact SD-CB 3.55Å; M39-N72 VanDerWaalsContact SD-CB 3.55Å; K69-N72 WeakPolarHBondContact O-CB 3.35Å; K69-N72 PolarHBondContact O-N 2.88Å; K69-N72 VanDerWaalsContact O-N 3.15Å; V70-N72 PolarHBondContact O-N 3.17Å; N72-N75 PolarHBondContact O-N 3.03Å
73I94.5Very high93.2Very high0 Ų043.5 Ų43.50%023%0.229CC..Hα-helixtrans-65.6-41.6171.9-62.8167000110.3V38 M39 L42 M62 I65 K69 V70 N75 C76 F77 V86 I90V38-I73 HydrophobicContact CG1-CD1 4.31Å; V38-I73 HydrophobicContact CG1-CG1 4.47Å; V38-I73 HydrophobicContact CG1-CG2 4.38Å; M39-I73 HydrophobicContact CG-CG1 3.8Å; M39-I73 HydrophobicContact SD-CG1 4.49Å; L42-I73 HydrophobicContact CD1-CG2 4.17Å; M62-I73 HydrophobicContact CE-CD1 4.2Å; I65-I73 HydrophobicContact CD1-CD1 3.76Å; K69-I73 PolarHBondContact O-N 3.01Å; V70-I73 PolarHBondContact O-N 3.16Å; I73-N75 VanDerWaalsContact C-N 3.3Å; I73-N75 PolarHBondContact O-N 3.11Å; I73-C76 VanDerWaalsContact O-CB 3.28Å; I73-C76 WeakPolarHBondContact O-CB 3.44Å; I73-C76 PolarHBondContact O-N 3.09Å; I73-C76 VanDerWaalsContact O-N 3.16Å; I73-F77 WeakPolarHBondContact O-CD2 3.44Å; I73-V86 HydrophobicContact CG2-CG1 4.47Å; I73-I90 HydrophobicContact CG2-CD1 4.42Å
74L94.4Very high93.3Very high0 Ų042.9 Ų42.90%023%0.225CC..Hα-helixtrans-65.2-32.6176.2-64.9-174.6000112.5V70 A71 C76 F77 R83 V86 L87 I90 V103 L106 F107V70-L74 HydrophobicContact CG1-CD1 4.31Å; V70-L74 HydrophobicContact CG1-CG 4.32Å; V70-L74 WeakPolarHBondContact O-CG 3.46Å; V70-L74 PolarHBondContact O-N 3.4Å; A71-L74 PolarHBondContact O-N 3.19Å; L74-C76 PolarHBondContact O-N 3.36Å; L74-F77 PolarHBondContact O-N 3.31Å; L74-R83 HydrophobicContact CB-CG 4.43Å; L74-R83 HydrophobicContact CD2-CB 4.42Å; L74-R83 VanDerWaalsContact CD2-O 3.28Å; L74-R83 WeakPolarHBondContact CD2-O 3.48Å; L74-R83 WeakPolarHBondContact O-CG 3.35Å; L74-R83 PolarHBondContact O-NE 2.97Å; L74-V86 HydrophobicContact CD2-CB 3.93Å; L74-V86 HydrophobicContact CD2-CG1 3.58Å; L74-L87 HydrophobicContact CD1-CB 4.39Å; L74-L87 HydrophobicContact CD1-CD1 4.46Å; L74-L87 HydrophobicContact CD2-CB 4.22Å; L74-I90 HydrophobicContact CD2-CD1 4.32Å; L74-V103 HydrophobicContact CD1-CG1 3.85Å; L74-V103 HydrophobicContact CD1-CG2 4.07Å; L74-L106 HydrophobicContact CB-CD2 3.45Å; L74-L106 VanDerWaalsContact CB-CD2 3.45Å; L74-L106 HydrophobicContact CD1-CD2 4.3Å; L74-F107 HydrophobicContact CD1-CE2 4.41Å
75N93.8Very high93.4Very high85 Ų8545 Ų4546%0.45524%0.237SC..THydrogen-bonded Turntrans-67.9-12.4174.5-80.9-37.6000114.1A71 N72 I73 F77 L106A71-N75 PolarHBondContact O-N 3.25Å; A71-N75 PolarHBondContact O-ND2 3.26Å; N72-N75 PolarHBondContact O-N 3.03Å; I73-N75 VanDerWaalsContact C-N 3.3Å; I73-N75 PolarHBondContact O-N 3.11Å; N75-F77 PolarHBondContact O-N 3.22Å; N75-L106 WeakPolarHBondContact OD1-CD2 3.35Å
76C92.2Very high93.5Very high42 Ų4244.9 Ų44.928%0.28424%0.236SC..THydrogen-bonded Turntrans-66.9-17.9167.8-60.80000113.1L42 I73 L74L42-C76 HydrophobicContact CD1-CB 4.32Å; I73-C76 VanDerWaalsContact O-CB 3.28Å; I73-C76 WeakPolarHBondContact O-CB 3.44Å; I73-C76 PolarHBondContact O-N 3.09Å; I73-C76 VanDerWaalsContact O-N 3.16Å; L74-C76 PolarHBondContact O-N 3.36Å
77F93.6Very high93.6Very high1 Ų142.8 Ų42.80%0.00422%0.222CC..  trans-104.1136-177.1-60.7-94000110.8L42 A48 Q51 I52 V55 I73 L74 N75 D82 R83 V86L42-F77 HydrophobicContact CD1-CE2 4.09Å; L42-F77 HydrophobicContact CD1-CZ 4.25Å; A48-F77 HydrophobicContact CB-CD1 4.41Å; Q51-F77 HydrophobicContact CB-CD1 4.35Å; Q51-F77 HydrophobicContact CB-CE1 3.4Å; Q51-F77 HydrophobicContact CB-CZ 3.76Å; Q51-F77 HydrophobicContact CG-CE1 4.44Å; I52-F77 HydrophobicContact CG1-CD1 4.46Å; I52-F77 HydrophobicContact CG1-CE1 3.93Å; V55-F77 HydrophobicContact CG2-CE2 4.38Å; V55-F77 HydrophobicContact CG2-CZ 3.87Å; I73-F77 WeakPolarHBondContact O-CD2 3.44Å; L74-F77 PolarHBondContact O-N 3.31Å; N75-F77 PolarHBondContact O-N 3.22Å; F77-D82 HydrophobicContact CB-CB 4.26Å; F77-D82 HydrophobicContact CD1-CB 4.09Å; F77-R83 HydrophobicContact CB-CG 3.9Å; F77-R83 VanDerWaalsContact O-CZ 3.3Å; F77-R83 PolarHBondContact O-NE 3.44Å; F77-R83 PolarHBondContact O-NH2 2.78Å; F77-V86 HydrophobicContact CD1-CG2 3.92Å; F77-V86 HydrophobicContact CD2-CB 4.49Å; F77-V86 HydrophobicContact CD2-CG1 4.28Å; F77-V86 HydrophobicContact CD2-CG2 3.99Å; F77-V86 HydrophobicContact CE1-CG2 3.53Å; F77-V86 HydrophobicContact CE2-CB 4.26Å; F77-V86 HydrophobicContact CE2-CG1 3.79Å; F77-V86 HydrophobicContact CE2-CG2 3.64Å; F77-V86 HydrophobicContact CG-CG2 4.14Å; F77-V86 HydrophobicContact CZ-CB 4.44Å; F77-V86 HydrophobicContact CZ-CG1 4.23Å; F77-V86 HydrophobicContact CZ-CG2 3.4Å; F77-V86 VanDerWaalsContact CZ-CG2 3.4Å
78T89.8Confident93.8Very high107 Ų10747.5 Ų47.566%0.65624%0.244SC*.SBendtrans-79.4-45.4-176.948.70000112.8
79F90.9Very high94Very high140 Ų14046.3 Ų46.361%0.61424%0.235SC*.SBendtrans-92.6138.9-176-57.1-73.8000112.7K81 D82 R83F79-K81 PolarHBondContact O-N 2.65Å; F79-D82 WeakPolarHBondContact CD2-OD2 3.5Å; F79-D82 PolarHBondContact O-N 2.84Å; F79-D82 VanDerWaalsContact O-N 3.08Å; F79-R83 WeakPolarHBondContact O-CG 3.24Å; F79-R83 PolarHBondContact O-N 2.79Å; F79-R83 VanDerWaalsContact O-N 3.09Å
80S91.5Very high94.1Very high24 Ų2442.8 Ų42.817%0.16822%0.22CC..Hα-helixtrans-59.8-31.2178-51.10000113.6R83 L84 F107 E113S80-R83 PolarHBondContact O-N 3.26Å; S80-L84 WeakPolarHBondContact O-CB 3.27Å; S80-L84 PolarHBondContact O-N 2.98Å; S80-F107 WeakPolarHBondContact O-CE1 3.35Å; S80-E113 WeakPolarHBondContact CB-OE2 3.48Å
81K92.7Very high94.1Very high149 Ų14943.2 Ų43.265%0.64822%0.224SC*.Hα-helixtrans-61-45.3173.6-65.2178-177.7173.90111.8F79 L84 V85 E113F79-K81 PolarHBondContact O-N 2.65Å; K81-L84 WeakPolarHBondContact O-CB 3.42Å; K81-L84 PolarHBondContact O-N 2.86Å; K81-L84 VanDerWaalsContact O-N 3.17Å; K81-V85 PolarHBondContact O-N 3.19Å; K81-E113 WeakPolarHBondContact CG-OE1 3.33Å
82D94.7Very high94Very high33 Ų3346.6 Ų46.618%0.17624%0.241CC..Hα-helixtrans-68.2-43.9-179.1-54.3-19.8000110A48 I52 F77 F79 L84 V85 V86A48-D82 HydrophobicContact CB-CB 4.37Å; A48-D82 WeakPolarHBondContact CB-OD2 3.44Å; I52-D82 HydrophobicContact CD1-CB 4.1Å; F77-D82 HydrophobicContact CB-CB 4.26Å; F77-D82 HydrophobicContact CD1-CB 4.09Å; F79-D82 WeakPolarHBondContact CD2-OD2 3.5Å; F79-D82 PolarHBondContact O-N 2.84Å; F79-D82 VanDerWaalsContact O-N 3.08Å; D82-L84 PolarHBondContact O-N 3.21Å; D82-V85 PolarHBondContact O-N 3.41Å; D82-V85 VanDerWaalsContact O-N 3.16Å; D82-V86 WeakPolarHBondContact O-CB 3.49Å; D82-V86 WeakPolarHBondContact O-CG2 3.28Å; D82-V86 PolarHBondContact O-N 3.48Å
83R94.9Very high94Very high40 Ų4043.9 Ų43.915%0.15123%0.226CC..Hα-helixtrans-53.1-39.4170.9-65.5176.7-179.9-165-8.1112.1L74 F77 F79 S80 L87 F107L74-R83 HydrophobicContact CB-CG 4.43Å; L74-R83 HydrophobicContact CD2-CB 4.42Å; L74-R83 VanDerWaalsContact CD2-O 3.28Å; L74-R83 WeakPolarHBondContact CD2-O 3.48Å; L74-R83 WeakPolarHBondContact O-CG 3.35Å; L74-R83 PolarHBondContact O-NE 2.97Å; F77-R83 HydrophobicContact CB-CG 3.9Å; F77-R83 VanDerWaalsContact O-CZ 3.3Å; F77-R83 PolarHBondContact O-NE 3.44Å; F77-R83 PolarHBondContact O-NH2 2.78Å; F79-R83 WeakPolarHBondContact O-CG 3.24Å; F79-R83 PolarHBondContact O-N 2.79Å; F79-R83 VanDerWaalsContact O-N 3.09Å; S80-R83 PolarHBondContact O-N 3.26Å; R83-L87 VanDerWaalsContact O-CB 3.23Å; R83-L87 WeakPolarHBondContact O-CB 3.36Å; R83-L87 PolarHBondContact O-N 3.09Å; R83-F107 HydrophobicContact CB-CE1 3.82Å; R83-F107 HydrophobicContact CB-CZ 3.8Å
84L95.3Very high94Very high6 Ų643.9 Ų43.93%0.03123%0.226CC..Hα-helixtrans-73.7-36.6-178.8-16460.5000112.6S80 K81 D82 E88 F107 E113 R116 A117 I120S80-L84 WeakPolarHBondContact O-CB 3.27Å; S80-L84 PolarHBondContact O-N 2.98Å; K81-L84 WeakPolarHBondContact O-CB 3.42Å; K81-L84 PolarHBondContact O-N 2.86Å; K81-L84 VanDerWaalsContact O-N 3.17Å; D82-L84 PolarHBondContact O-N 3.21Å; L84-E88 PolarHBondContact O-N 2.97Å; L84-F107 HydrophobicContact CB-CE1 4.02Å; L84-F107 HydrophobicContact CB-CZ 4.36Å; L84-F107 HydrophobicContact CD1-CE1 4.11Å; L84-F107 HydrophobicContact CD1-CZ 4.1Å; L84-E113 HydrophobicContact CD2-CB 4Å; L84-E113 HydrophobicContact CD2-CG 4.05Å; L84-R116 HydrophobicContact CD1-CB 4.19Å; L84-R116 HydrophobicContact CD1-CG 4.03Å; L84-R116 HydrophobicContact CD2-CB 4.13Å; L84-R116 HydrophobicContact CD2-CG 4.09Å; L84-R116 HydrophobicContact CG-CG 4.23Å; L84-A117 HydrophobicContact CD1-CB 3.92Å; L84-I120 HydrophobicContact CD1-CD1 4.15Å
85V95.7Very high93.8Very high58 Ų5846.9 Ų46.935%0.35225%0.247SC..Hα-helixtrans-67.1-45.1171.9172.60000110.8I52 K81 D82 L87 E88 L89I52-V85 HydrophobicContact CG2-CG1 3.94Å; K81-V85 PolarHBondContact O-N 3.19Å; D82-V85 PolarHBondContact O-N 3.41Å; D82-V85 VanDerWaalsContact O-N 3.16Å; V85-L87 PolarHBondContact O-N 2.87Å; V85-E88 WeakPolarHBondContact O-CB 3.45Å; V85-E88 PolarHBondContact O-N 2.69Å; V85-E88 VanDerWaalsContact O-N 3.14Å; V85-L89 HydrophobicContact CG1-CD1 4.32Å; V85-L89 WeakPolarHBondContact O-CG 3.49Å; V85-L89 PolarHBondContact O-N 3.07Å
86V96.6Very high93.6Very high0 Ų044.9 Ų44.90%024%0.237CC..Hα-helixtrans-61.5-44.1177.21710000111I52 V55 I73 L74 F77 D82 E88 L89 I90I52-V86 HydrophobicContact CG1-CG2 3.94Å; V55-V86 HydrophobicContact CG1-CG1 4.27Å; V55-V86 HydrophobicContact CG2-CG1 4.3Å; I73-V86 HydrophobicContact CG2-CG1 4.47Å; L74-V86 HydrophobicContact CD2-CB 3.93Å; L74-V86 HydrophobicContact CD2-CG1 3.58Å; F77-V86 HydrophobicContact CD1-CG2 3.92Å; F77-V86 HydrophobicContact CD2-CB 4.49Å; F77-V86 HydrophobicContact CD2-CG1 4.28Å; F77-V86 HydrophobicContact CD2-CG2 3.99Å; F77-V86 HydrophobicContact CE1-CG2 3.53Å; F77-V86 HydrophobicContact CE2-CB 4.26Å; F77-V86 HydrophobicContact CE2-CG1 3.79Å; F77-V86 HydrophobicContact CE2-CG2 3.64Å; F77-V86 HydrophobicContact CG-CG2 4.14Å; F77-V86 HydrophobicContact CZ-CB 4.44Å; F77-V86 HydrophobicContact CZ-CG1 4.23Å; F77-V86 HydrophobicContact CZ-CG2 3.4Å; F77-V86 VanDerWaalsContact CZ-CG2 3.4Å; D82-V86 WeakPolarHBondContact O-CB 3.49Å; D82-V86 WeakPolarHBondContact O-CG2 3.28Å; D82-V86 PolarHBondContact O-N 3.48Å; V86-E88 VanDerWaalsContact C-N 3.26Å; V86-E88 PolarHBondContact O-N 3.48Å; V86-L89 PolarHBondContact O-N 3.12Å; V86-I90 HydrophobicContact CG1-CD1 4.04Å; V86-I90 VanDerWaalsContact O-CG1 3.3Å; V86-I90 WeakPolarHBondContact O-CG1 3.44Å; V86-I90 PolarHBondContact O-N 2.89Å
87L95.8Very high93.6Very high0 Ų043.3 Ų43.30%023%0.227CC..Hα-helixtrans-58.4-37.1174.3178.560.6000112.2V70 L74 R83 V85 A91 I94 V103 F107 A117 I120 L121V70-L87 HydrophobicContact CG1-CD1 4.26Å; L74-L87 HydrophobicContact CD1-CB 4.39Å; L74-L87 HydrophobicContact CD1-CD1 4.46Å; L74-L87 HydrophobicContact CD2-CB 4.22Å; R83-L87 VanDerWaalsContact O-CB 3.23Å; R83-L87 WeakPolarHBondContact O-CB 3.36Å; R83-L87 PolarHBondContact O-N 3.09Å; V85-L87 PolarHBondContact O-N 2.87Å; L87-A91 WeakPolarHBondContact O-CA 3.18Å; L87-A91 WeakPolarHBondContact O-CB 3.49Å; L87-A91 PolarHBondContact O-N 3.07Å; L87-I94 HydrophobicContact CD1-CD1 3.85Å; L87-V103 HydrophobicContact CD1-CG1 4Å; L87-V103 HydrophobicContact CD2-CG1 3.71Å; L87-F107 HydrophobicContact CD2-CE2 4.12Å; L87-F107 HydrophobicContact CD2-CZ 4.36Å; L87-A117 HydrophobicContact CD2-CB 3.65Å; L87-I120 HydrophobicContact CD2-CD1 4.44Å; L87-I120 HydrophobicContact CG-CD1 4.46Å; L87-I120 HydrophobicContact CG-CG2 4.22Å; L87-L121 HydrophobicContact CD1-CD2 4.32Å
88E95.5Very high93.3Very high99 Ų9950.1 Ų50.146%0.46326%0.258SS..Hα-helixtrans-72-37.3177.6-157.6163.612200112.2L84 V85 V86 A91 R116 I120L84-E88 PolarHBondContact O-N 2.97Å; V85-E88 WeakPolarHBondContact O-CB 3.45Å; V85-E88 PolarHBondContact O-N 2.69Å; V85-E88 VanDerWaalsContact O-N 3.14Å; V86-E88 VanDerWaalsContact C-N 3.26Å; V86-E88 PolarHBondContact O-N 3.48Å; E88-A91 WeakPolarHBondContact O-CB 3.33Å; E88-R116 IonicContact OE1-NH2 3.79Å; E88-R116 IonicContact OE2-CZ 3.91Å; E88-R116 IonicContact OE2-NE 3.14Å; E88-R116 PolarHBondContact OE2-NE 3.3Å; E88-R116 VanDerWaalsContact OE2-NE 3.16Å; E88-R116 IonicContact OE2-NH2 2.81Å; E88-R116 PolarHBondContact OE2-NH2 2.93Å; E88-I120 HydrophobicContact CB-CD1 4.09Å; E88-I120 HydrophobicContact CG-CD1 4.26Å
89L95.6Very high93.3Very high40 Ų4048 Ų4821%0.20924%0.243CC..Hα-helixtrans-66.5-44.7174.1-66.8169.8000112.4I52 V55 K56 V85 V86 A91I52-L89 HydrophobicContact CG2-CD1 3.88Å; V55-L89 HydrophobicContact CG1-CB 4.12Å; V55-L89 HydrophobicContact CG1-CD1 4.21Å; K56-L89 HydrophobicContact CB-CD1 4.21Å; K56-L89 HydrophobicContact CB-CD2 4.33Å; K56-L89 HydrophobicContact CD-CD2 4.45Å; K56-L89 HydrophobicContact CG-CD2 4.18Å; V85-L89 HydrophobicContact CG1-CD1 4.32Å; V85-L89 WeakPolarHBondContact O-CG 3.49Å; V85-L89 PolarHBondContact O-N 3.07Å; V86-L89 PolarHBondContact O-N 3.12Å; L89-A91 VanDerWaalsContact C-N 3.35Å
90I95.4Very high93.3Very high2 Ų245 Ų451%0.0123%0.228CC..Hα-helixtrans-87.6-2.2-178.172.9-164.6000113.4V55 M62 V70 I73 L74 V86 L92 N93V55-I90 HydrophobicContact CG1-CG2 3.44Å; V55-I90 VanDerWaalsContact CG1-CG2 3.44Å; M62-I90 HydrophobicContact CE-CB 4.42Å; M62-I90 HydrophobicContact CE-CG2 3.88Å; M62-I90 HydrophobicContact SD-CG2 4.43Å; V70-I90 HydrophobicContact CG1-CD1 3.8Å; V70-I90 HydrophobicContact CG1-CG1 4.43Å; I73-I90 HydrophobicContact CG2-CD1 4.42Å; L74-I90 HydrophobicContact CD2-CD1 4.32Å; V86-I90 HydrophobicContact CG1-CD1 4.04Å; V86-I90 VanDerWaalsContact O-CG1 3.3Å; V86-I90 WeakPolarHBondContact O-CG1 3.44Å; V86-I90 PolarHBondContact O-N 2.89Å; I90-L92 VanDerWaalsContact C-N 3.29Å; I90-L92 PolarHBondContact O-N 2.77Å; I90-L92 VanDerWaalsContact O-N 3.17Å; I90-N93 WeakPolarHBondContact O-CA 3.36Å; I90-N93 WeakPolarHBondContact O-CB 3.28Å; I90-N93 PolarHBondContact O-N 3.01Å
91A94.8Very high93.3Very high9 Ų950.5 Ų50.57%0.07425%0.245CC..G310 helixtrans-46.5-49-17700000113L87 E88 L89 N93 I94 I120 V124L87-A91 WeakPolarHBondContact O-CA 3.18Å; L87-A91 WeakPolarHBondContact O-CB 3.49Å; L87-A91 PolarHBondContact O-N 3.07Å; E88-A91 WeakPolarHBondContact O-CB 3.33Å; L89-A91 VanDerWaalsContact C-N 3.35Å; A91-N93 PolarHBondContact O-N 2.92Å; A91-N93 VanDerWaalsContact O-N 3.17Å; A91-I94 WeakPolarHBondContact O-CG1 3.42Å; A91-I94 PolarHBondContact O-N 2.82Å; A91-I120 HydrophobicContact CB-CG2 3.75Å; A91-V124 HydrophobicContact CB-CG2 3.62Å; A91-V124 VanDerWaalsContact O-CG1 3.28Å; A91-V124 WeakPolarHBondContact O-CG1 3.45Å; A91-V124 WeakPolarHBondContact O-CG2 3.49Å
92L93.4Very high93.2Very high77 Ų7745 Ų4540%0.40323%0.225SC..G310 helixtrans-72.3-5.7-178.3-62174.3000114.2I90 V127 K130 A131I90-L92 VanDerWaalsContact C-N 3.29Å; I90-L92 PolarHBondContact O-N 2.77Å; I90-L92 VanDerWaalsContact O-N 3.17Å; L92-V127 HydrophobicContact CD2-CG1 3.86Å; L92-K130 HydrophobicContact CB-CB 4.41Å; L92-K130 HydrophobicContact CD1-CD 4.45Å; L92-K130 HydrophobicContact CD2-CD 4.28Å; L92-K130 HydrophobicContact CD2-CG 4.41Å; L92-K130 PolarHBondContact O-N 2.69Å; L92-A131 PolarHBondContact O-N 3.44Å
93N93.3Very high93.1Very high9 Ų943.5 Ų43.55%0.04822%0.217CC..G310 helixtrans-96.1-4.3174.4-64.4-93.9000113Q59 M62 A64 I65 I90 A91 A131Q59-N93 PolarHBondContact O-ND2 3.15Å; Q59-N93 PolarHBondContact O-OD1 2.94Å; M62-N93 WeakPolarHBondContact CB-OD1 3.44Å; A64-N93 CarbonylContact C-O 3.56Å; A64-N93 WeakPolarHBondContact CA-O 3.23Å; I65-N93 PolarHBondContact N-O 3.18Å; I90-N93 WeakPolarHBondContact O-CA 3.36Å; I90-N93 WeakPolarHBondContact O-CB 3.28Å; I90-N93 PolarHBondContact O-N 3.01Å; A91-N93 PolarHBondContact O-N 2.92Å; A91-N93 VanDerWaalsContact O-N 3.17Å; N93-A131 HydrophobicContact CB-CB 4.02Å; N93-A131 VanDerWaalsContact OD1-CB 3.28Å; N93-A131 WeakPolarHBondContact OD1-CB 3.31Å
94I94.3Very high92.9Very high1 Ų142.2 Ų42.21%0.00521%0.212CC..BIsolated β-bridgetrans-83125.6-174.7-50.9-178.4000110.5I65 T67 V70 L87 A91 A97 L121 V124 C129I65-I94 WeakPolarHBondContact O-CA 3.23Å; T67-I94 VanDerWaalsContact OG1-CG2 3.23Å; T67-I94 WeakPolarHBondContact OG1-CG2 3.41Å; V70-I94 HydrophobicContact CG1-CD1 4.14Å; V70-I94 HydrophobicContact CG2-CD1 4.15Å; V70-I94 HydrophobicContact CG2-CG1 3.87Å; V70-I94 HydrophobicContact CG2-CG2 4.31Å; L87-I94 HydrophobicContact CD1-CD1 3.85Å; A91-I94 WeakPolarHBondContact O-CG1 3.42Å; A91-I94 PolarHBondContact O-N 2.82Å; I94-A97 HydrophobicContact CG2-CB 4.26Å; I94-L121 HydrophobicContact CD1-CD2 3.62Å; I94-V124 HydrophobicContact CB-CG1 4.29Å; I94-C129 VanDerWaalsContact O-CB 3.31Å; I94-C129 WeakPolarHBondContact O-CB 3.39Å; I94-C129 PolarHBondContact O-SG 2.93Å
95S90.4Very high92.7Very high62 Ų6246.1 Ų46.143%0.43423%0.233SC..SBendtrans-85.1-37.5-17555.90000114.4I65 P66I65-S95 PolarHBondContact O-N 3.17Å; I65-S95 PolarHBondContact O-OG 2.98Å; P66-S95 WeakPolarHBondContact CA-OG 3.34Å
96D90.2Very high92.4Very high44 Ų4445 Ų4524%0.23523%0.225CC..  trans-117.941.2-169.469.7-25.7000112P66 T67 Q98 N99P66-D96 VanDerWaalsContact CA-OD1 3.3Å; P66-D96 WeakPolarHBondContact CA-OD1 3.27Å; T67-D96 VanDerWaalsContact CB-OD1 3.29Å; T67-D96 WeakPolarHBondContact CB-OD1 3.36Å; T67-D96 PolarHBondContact N-OD1 2.94Å; T67-D96 PolarHBondContact N-OD2 3.47Å; T67-D96 PolarHBondContact OG1-OD1 2.78Å; D96-Q98 PolarHBondContact O-N 3.25Å; D96-N99 HydrophobicContact CB-CB 4.4Å; D96-N99 VanDerWaalsContact O-CB 3.27Å; D96-N99 WeakPolarHBondContact O-CB 3.37Å; D96-N99 PolarHBondContact O-N 2.85Å; D96-N99 WeakPolarHBondContact OD2-CB 3.5Å; D96-N99 PolarHBondContact OD2-ND2 2.83Å
97A90.9Very high92.1Very high9 Ų945 Ų457%0.07423%0.225CC..THydrogen-bonded Turntrans-55.3-12.4-169.600000116.7I94 N99 L121 V124 C125I94-A97 HydrophobicContact CG2-CB 4.26Å; A97-N99 VanDerWaalsContact C-N 3.3Å; A97-L121 HydrophobicContact CB-CD2 4.46Å; A97-V124 HydrophobicContact CB-CB 3.9Å; A97-V124 HydrophobicContact CB-CG1 3.74Å; A97-C125 HydrophobicContact CB-CB 4.43Å
98Q87.7Confident91.4Very high144 Ų14454.8 Ų54.867%0.67326%0.262SS*.THydrogen-bonded Turntrans-62-34.2166.1-63.5-72.820.100113D96 Y100 C125D96-Q98 PolarHBondContact O-N 3.25Å; Q98-Y100 WeakPolarHBondContact O-CD1 3.02Å; Q98-Y100 PolarHBondContact O-N 2.82Å; Q98-C125 PolarHBondContact NE2-SG 3.4Å
99N90.6Very high90.8Very high63 Ų6357 Ų5734%0.33728%0.276SS..  trans-78.253.4178.8-175.418.3000111.1T67 D96 A97 R101 P102T67-N99 WeakPolarHBondContact CB-O 3.5Å; T67-N99 WeakPolarHBondContact CG2-O 3.15Å; D96-N99 HydrophobicContact CB-CB 4.4Å; D96-N99 VanDerWaalsContact O-CB 3.27Å; D96-N99 WeakPolarHBondContact O-CB 3.37Å; D96-N99 PolarHBondContact O-N 2.85Å; D96-N99 WeakPolarHBondContact OD2-CB 3.5Å; D96-N99 PolarHBondContact OD2-ND2 2.83Å; A97-N99 VanDerWaalsContact C-N 3.3Å; N99-R101 PolarHBondContact O-N 3.45Å; N99-P102 WeakPolarHBondContact O-CD 3.5Å
100Y89.4Confident90.4Very high77 Ų7759.3 Ų59.330%0.30229%0.285SS..  trans-69.3-14.1-171.956-105.2000114.2Q98 V103 E104Q98-Y100 WeakPolarHBondContact O-CD1 3.02Å; Q98-Y100 PolarHBondContact O-N 2.82Å; Y100-V103 PolarHBondContact O-N 2.91Å; Y100-E104 HydrophobicContact CD2-CB 4.4Å; Y100-E104 WeakPolarHBondContact CD2-OE2 3.17Å; Y100-E104 WeakPolarHBondContact CE2-OE2 3.46Å; Y100-E104 VanDerWaalsContact O-CB 3.3Å; Y100-E104 WeakPolarHBondContact O-CB 3.23Å; Y100-E104 PolarHBondContact O-N 3.43Å
101R91.3Very high90Very high139 Ų13963 Ų6353%0.52532%0.316SS..Hα-helixtrans-52.4-53.3-173.9-68.2-68.8-169.8-147.1-0.2113.9N99 V103 E104 D105N99-R101 PolarHBondContact O-N 3.45Å; R101-V103 PolarHBondContact O-N 2.91Å; R101-E104 IonicContact NH1-OE2 2.65Å; R101-E104 PolarHBondContact NH1-OE2 3.48Å; R101-E104 WeakPolarHBondContact O-CB 3.49Å; R101-E104 PolarHBondContact O-N 3.47Å; R101-E104 VanDerWaalsContact O-N 3.08Å; R101-D105 PolarHBondContact O-N 3.36Å; R101-D105 VanDerWaalsContact O-N 3.09Å
102P91.4Very high89.8Confident34 Ų3467 Ų6722%0.22134%0.343CS..Hα-helixtrans-62.5-32.4-173.3-20.534.5000112.8T68 A71 N99 L106T68-P102 HydrophobicContact CG2-CG 3.87Å; A71-P102 HydrophobicContact CB-CB 4.1Å; N99-P102 WeakPolarHBondContact O-CD 3.5Å; P102-L106 VanDerWaalsContact O-CD1 3.22Å; P102-L106 WeakPolarHBondContact O-CD1 3.47Å
103V92.1Very high89.8Confident0 Ų064.7 Ų64.70%033%0.33CS..Hα-helixtrans-83.6-35.1176.1168.50000111.7T67 V70 A71 L74 L87 Y100 R101 D105 L106 F107 L121T67-V103 HydrophobicContact CG2-CB 3.98Å; T67-V103 HydrophobicContact CG2-CG2 3.47Å; T67-V103 VanDerWaalsContact CG2-CG2 3.47Å; V70-V103 HydrophobicContact CB-CG2 4.15Å; V70-V103 HydrophobicContact CG1-CG2 3.78Å; A71-V103 HydrophobicContact CB-CG2 4.3Å; L74-V103 HydrophobicContact CD1-CG1 3.85Å; L74-V103 HydrophobicContact CD1-CG2 4.07Å; L87-V103 HydrophobicContact CD1-CG1 4Å; L87-V103 HydrophobicContact CD2-CG1 3.71Å; Y100-V103 PolarHBondContact O-N 2.91Å; R101-V103 PolarHBondContact O-N 2.91Å; V103-D105 VanDerWaalsContact C-N 3.28Å; V103-D105 PolarHBondContact O-N 3.45Å; V103-L106 PolarHBondContact O-N 3.41Å; V103-F107 HydrophobicContact CG1-CE2 3.98Å; V103-F107 WeakPolarHBondContact O-CD2 3.35Å; V103-L121 HydrophobicContact CB-CD1 4.1Å; V103-L121 HydrophobicContact CG1-CD1 3.93Å
104E91.6Very high89.8Confident13 Ų1366.4 Ų66.46%0.06134%0.337CS..Hα-helixtrans-59.3-37.9176.7-170-166.6152.500112.5Y100 R101 F107 K114 R118Y100-E104 HydrophobicContact CD2-CB 4.4Å; Y100-E104 WeakPolarHBondContact CD2-OE2 3.17Å; Y100-E104 WeakPolarHBondContact CE2-OE2 3.46Å; Y100-E104 VanDerWaalsContact O-CB 3.3Å; Y100-E104 WeakPolarHBondContact O-CB 3.23Å; Y100-E104 PolarHBondContact O-N 3.43Å; R101-E104 IonicContact NH1-OE2 2.65Å; R101-E104 PolarHBondContact NH1-OE2 3.48Å; R101-E104 WeakPolarHBondContact O-CB 3.49Å; R101-E104 PolarHBondContact O-N 3.47Å; R101-E104 VanDerWaalsContact O-N 3.08Å; E104-F107 PolarHBondContact O-N 3.49Å; E104-K114 HydrophobicContact CG-CD 4.23Å; E104-K114 HydrophobicContact CG-CG 3.96Å; E104-K114 WeakPolarHBondContact OE1-CE 3.4Å; E104-K114 IonicContact OE1-NZ 2.71Å; E104-K114 PolarHBondContact OE1-NZ 3.41Å; E104-R118 IonicContact OE1-CZ 3.81Å; E104-R118 IonicContact OE1-NH1 3.6Å; E104-R118 IonicContact OE1-NH2 2.85Å; E104-R118 PolarHBondContact OE1-NH2 3.4Å; E104-R118 IonicContact OE2-CZ 2.64Å; E104-R118 IonicContact OE2-NH1 2.84Å; E104-R118 PolarHBondContact OE2-NH1 3.13Å; E104-R118 IonicContact OE2-NH2 3.79Å; E104-R118 PolarHBondContact OE2-NH2 3.19Å
105D90.4Very high89.7Confident88 Ų8873.4 Ų73.447%0.47137%0.368SS..Hα-helixtrans-75-24.3-175.6-67.7-34.3000113.2R101 V103 F107 R108R101-D105 PolarHBondContact O-N 3.36Å; R101-D105 VanDerWaalsContact O-N 3.09Å; V103-D105 VanDerWaalsContact C-N 3.28Å; V103-D105 PolarHBondContact O-N 3.45Å; D105-F107 PolarHBondContact O-N 3.3Å; D105-R108 WeakPolarHBondContact O-CB 3.36Å; D105-R108 PolarHBondContact O-N 3.46Å
106L90.7Very high89.9Confident34 Ų3475 Ų7518%0.17837%0.365CS..THydrogen-bonded Turntrans-63.5-18.8170.3-95.673.9000113.6A71 L74 N75 P102 V103A71-L106 HydrophobicContact CB-CD1 4.02Å; L74-L106 HydrophobicContact CB-CD2 3.45Å; L74-L106 VanDerWaalsContact CB-CD2 3.45Å; L74-L106 HydrophobicContact CD1-CD2 4.3Å; N75-L106 WeakPolarHBondContact OD1-CD2 3.35Å; P102-L106 VanDerWaalsContact O-CD1 3.22Å; P102-L106 WeakPolarHBondContact O-CD1 3.47Å; V103-L106 PolarHBondContact O-N 3.41Å
107F90.3Very high90.2Very high1 Ų173 Ų730%0.00435%0.353CS..THydrogen-bonded Turntrans-106.915.4179.4-59.8-81.8000113.3L74 S80 R83 L84 L87 V103 E104 D105 I109 H110 E113 K114 A117L74-F107 HydrophobicContact CD1-CE2 4.41Å; S80-F107 WeakPolarHBondContact O-CE1 3.35Å; R83-F107 HydrophobicContact CB-CE1 3.82Å; R83-F107 HydrophobicContact CB-CZ 3.8Å; L84-F107 HydrophobicContact CB-CE1 4.02Å; L84-F107 HydrophobicContact CB-CZ 4.36Å; L84-F107 HydrophobicContact CD1-CE1 4.11Å; L84-F107 HydrophobicContact CD1-CZ 4.1Å; L87-F107 HydrophobicContact CD2-CE2 4.12Å; L87-F107 HydrophobicContact CD2-CZ 4.36Å; V103-F107 HydrophobicContact CG1-CE2 3.98Å; V103-F107 WeakPolarHBondContact O-CD2 3.35Å; E104-F107 PolarHBondContact O-N 3.49Å; D105-F107 PolarHBondContact O-N 3.3Å; F107-I109 PolarHBondContact O-N 2.9Å; F107-H110 PolarHBondContact O-N 3.06Å; F107-E113 HydrophobicContact CD1-CB 4.07Å; F107-K114 HydrophobicContact CB-CB 3.86Å; F107-A117 HydrophobicContact CD2-CB 3.64Å; F107-A117 HydrophobicContact CE2-CB 3.62Å; F107-A117 HydrophobicContact CG-CB 4.32Å; F107-A117 HydrophobicContact CZ-CB 4.28Å
108R80.6Confident90.3Very high205 Ų20576.6 Ų76.677%0.77437%0.365SS*.THydrogen-bonded Turntrans-52.8-28.6-172.8-174172-180173.6-0.2115D105D105-R108 WeakPolarHBondContact O-CB 3.36Å; D105-R108 PolarHBondContact O-N 3.46Å
109I83.7Confident90.6Very high147 Ų14776.5 Ų76.575%0.75436%0.359SS*.THydrogen-bonded Turntrans-76.5-29.2-178.3-55.2175.2000112.6F107F107-I109 PolarHBondContact O-N 2.9Å
110H85.9Confident90.8Very high87 Ų8774.4 Ų74.440%0.40335%0.347SS..  trans-12495.7-171.1-66.1-42.2000112F107 S112 E113 K114F107-H110 PolarHBondContact O-N 3.06Å; H110-S112 PolarHBondContact O-N 3.16Å; H110-S112 VanDerWaalsContact O-N 3.16Å; H110-E113 HydrophobicContact CB-CB 4.04Å; H110-E113 HydrophobicContact CB-CG 4.04Å; H110-E113 VanDerWaalsContact CB-OE2 3.29Å; H110-E113 WeakPolarHBondContact CB-OE2 3.19Å; H110-E113 IonicContact CD2-OE2 3.45Å; H110-E113 PolarHBondContact CD2-OE2 2.91Å; H110-E113 IonicContact CG-OE2 2.72Å; H110-E113 PolarHBondContact O-N 3.16Å; H110-E113 VanDerWaalsContact O-N 3.14Å; H110-K114 WeakPolarHBondContact O-CB 3.3Å; H110-K114 PolarHBondContact O-N 2.95Å
111A87.9Confident91Very high80 Ų8070.9 Ų70.966%0.66133%0.334SS*.Hα-helixtrans-57.2-32.1-176.500000114.4K115A111-K115 VanDerWaalsContact O-CB 3.31Å; A111-K115 WeakPolarHBondContact O-CB 3.03Å; A111-K115 PolarHBondContact O-N 3.36Å
112S90.8Very high91.1Very high93 Ų9368.3 Ų68.365%0.6533%0.328SS*.Hα-helixtrans-68.5-46.2176.248.40000112.5H110 K115 R116H110-S112 PolarHBondContact O-N 3.16Å; H110-S112 VanDerWaalsContact O-N 3.16Å; S112-K115 PolarHBondContact O-N 2.64Å; S112-R116 PolarHBondContact O-N 3.31Å
113E92.9Very high91.3Very high28 Ų2871.9 Ų71.913%0.13134%0.341CS..Hα-helixtrans-67.2-44.8176.7-63-178.2150.400110.5S80 K81 L84 F107 H110 K115 R116 A117S80-E113 WeakPolarHBondContact CB-OE2 3.48Å; K81-E113 WeakPolarHBondContact CG-OE1 3.33Å; L84-E113 HydrophobicContact CD2-CB 4Å; L84-E113 HydrophobicContact CD2-CG 4.05Å; F107-E113 HydrophobicContact CD1-CB 4.07Å; H110-E113 HydrophobicContact CB-CB 4.04Å; H110-E113 HydrophobicContact CB-CG 4.04Å; H110-E113 VanDerWaalsContact CB-OE2 3.29Å; H110-E113 WeakPolarHBondContact CB-OE2 3.19Å; H110-E113 IonicContact CD2-OE2 3.45Å; H110-E113 PolarHBondContact CD2-OE2 2.91Å; H110-E113 IonicContact CG-OE2 2.72Å; H110-E113 PolarHBondContact O-N 3.16Å; H110-E113 VanDerWaalsContact O-N 3.14Å; E113-K115 VanDerWaalsContact C-N 3.28Å; E113-K115 PolarHBondContact O-N 2.89Å; E113-R116 CarbonylContact O-C 3.54Å; E113-R116 WeakPolarHBondContact O-CA 3.48Å; E113-R116 PolarHBondContact O-N 3.45Å; E113-A117 PolarHBondContact O-N 2.61Å
114K92.9Very high91.3Very high45 Ų4572.2 Ų72.220%0.19634%0.343CS..Hα-helixtrans-53.9-40.2170.8-177.3169.8166116.70112.4E104 F107 H110 R118E104-K114 HydrophobicContact CG-CD 4.23Å; E104-K114 HydrophobicContact CG-CG 3.96Å; E104-K114 WeakPolarHBondContact OE1-CE 3.4Å; E104-K114 IonicContact OE1-NZ 2.71Å; E104-K114 PolarHBondContact OE1-NZ 3.41Å; F107-K114 HydrophobicContact CB-CB 3.86Å; H110-K114 WeakPolarHBondContact O-CB 3.3Å; H110-K114 PolarHBondContact O-N 2.95Å; K114-R118 PolarHBondContact O-N 3.2Å
115K93.1Very high91.3Very high148 Ų14874 Ų7464%0.64336%0.357SS*.Hα-helixtrans-75.2-17.3174.4-169.9170.8-178.6176.80113.9A111 S112 E113 R119A111-K115 VanDerWaalsContact O-CB 3.31Å; A111-K115 WeakPolarHBondContact O-CB 3.03Å; A111-K115 PolarHBondContact O-N 3.36Å; S112-K115 PolarHBondContact O-N 2.64Å; E113-K115 VanDerWaalsContact C-N 3.28Å; E113-K115 PolarHBondContact O-N 2.89Å; K115-R119 WeakPolarHBondContact O-CG 3.41Å; K115-R119 PolarHBondContact O-NE 3.03Å
116R94.3Very high91.4Very high97 Ų9776.3 Ų76.337%0.36636%0.363SS..Hα-helixtrans-83.7-44.4166.9178.1166.3163.8-158.56.5111.1L84 E88 S112 E113 R118 R119 I120L84-R116 HydrophobicContact CD1-CB 4.19Å; L84-R116 HydrophobicContact CD1-CG 4.03Å; L84-R116 HydrophobicContact CD2-CB 4.13Å; L84-R116 HydrophobicContact CD2-CG 4.09Å; L84-R116 HydrophobicContact CG-CG 4.23Å; E88-R116 IonicContact OE1-NH2 3.79Å; E88-R116 IonicContact OE2-CZ 3.91Å; E88-R116 IonicContact OE2-NE 3.14Å; E88-R116 PolarHBondContact OE2-NE 3.3Å; E88-R116 VanDerWaalsContact OE2-NE 3.16Å; E88-R116 IonicContact OE2-NH2 2.81Å; E88-R116 PolarHBondContact OE2-NH2 2.93Å; S112-R116 PolarHBondContact O-N 3.31Å; E113-R116 CarbonylContact O-C 3.54Å; E113-R116 WeakPolarHBondContact O-CA 3.48Å; E113-R116 PolarHBondContact O-N 3.45Å; R116-R118 PolarHBondContact O-N 2.84Å; R116-R119 PolarHBondContact O-N 3.4Å; R116-R119 VanDerWaalsContact O-N 3.07Å; R116-I120 HydrophobicContact CG-CD1 4Å; R116-I120 HydrophobicContact CG-CG1 4.44Å; R116-I120 WeakPolarHBondContact O-CG1 3.38Å; R116-I120 PolarHBondContact O-N 3.05Å
117A94.8Very high91.5Very high0 Ų078 Ų780%038%0.375CS..Hα-helixtrans-56.5-46.9175.900000112.1L84 L87 F107 E113 R119 I120 L121L84-A117 HydrophobicContact CD1-CB 3.92Å; L87-A117 HydrophobicContact CD2-CB 3.65Å; F107-A117 HydrophobicContact CD2-CB 3.64Å; F107-A117 HydrophobicContact CE2-CB 3.62Å; F107-A117 HydrophobicContact CG-CB 4.32Å; F107-A117 HydrophobicContact CZ-CB 4.28Å; E113-A117 PolarHBondContact O-N 2.61Å; A117-R119 PolarHBondContact O-N 3.35Å; A117-I120 PolarHBondContact O-N 3.09Å; A117-L121 PolarHBondContact O-N 2.78Å; A117-L121 VanDerWaalsContact O-N 3.1Å
118R93.3Very high91.3Very high86 Ų8679.5 Ų79.533%0.32539%0.39SS..Hα-helixtrans-57.6-45.9173.3-169.7-172.8-52.6-60.13.1111.9E104 K114 R116 I120 L121 E122E104-R118 IonicContact OE1-CZ 3.81Å; E104-R118 IonicContact OE1-NH1 3.6Å; E104-R118 IonicContact OE1-NH2 2.85Å; E104-R118 PolarHBondContact OE1-NH2 3.4Å; E104-R118 IonicContact OE2-CZ 2.64Å; E104-R118 IonicContact OE2-NH1 2.84Å; E104-R118 PolarHBondContact OE2-NH1 3.13Å; E104-R118 IonicContact OE2-NH2 3.79Å; E104-R118 PolarHBondContact OE2-NH2 3.19Å; K114-R118 PolarHBondContact O-N 3.2Å; R116-R118 PolarHBondContact O-N 2.84Å; R118-I120 VanDerWaalsContact C-N 3.35Å; R118-I120 PolarHBondContact O-N 2.71Å; R118-L121 PolarHBondContact O-N 3.36Å; R118-E122 WeakPolarHBondContact O-CB 3.22Å; R118-E122 PolarHBondContact O-N 2.85Å
119R94.4Very high91.7Very high141 Ų14172.1 Ų72.153%0.53237%0.369SS..Hα-helixtrans-63.4-37.5179.1-79.7-175.2-68.1157.70.3112.6K115 R116 A117 E122 Q123K115-R119 WeakPolarHBondContact O-CG 3.41Å; K115-R119 PolarHBondContact O-NE 3.03Å; R116-R119 PolarHBondContact O-N 3.4Å; R116-R119 VanDerWaalsContact O-N 3.07Å; A117-R119 PolarHBondContact O-N 3.35Å; R119-E122 PolarHBondContact O-N 2.72Å; R119-Q123 VanDerWaalsContact O-CG 3.28Å; R119-Q123 WeakPolarHBondContact O-CG 3.15Å; R119-Q123 PolarHBondContact O-N 2.98Å
120I94.9Very high91.9Very high19 Ų1971.8 Ų71.810%0.09736%0.362CS..Hα-helixtrans-61.1-51.3174.6-66.1163.5000109.7L84 L87 E88 A91 R116 A117 R118 E122 Q123 V124L84-I120 HydrophobicContact CD1-CD1 4.15Å; L87-I120 HydrophobicContact CD2-CD1 4.44Å; L87-I120 HydrophobicContact CG-CD1 4.46Å; L87-I120 HydrophobicContact CG-CG2 4.22Å; E88-I120 HydrophobicContact CB-CD1 4.09Å; E88-I120 HydrophobicContact CG-CD1 4.26Å; A91-I120 HydrophobicContact CB-CG2 3.75Å; R116-I120 HydrophobicContact CG-CD1 4Å; R116-I120 HydrophobicContact CG-CG1 4.44Å; R116-I120 WeakPolarHBondContact O-CG1 3.38Å; R116-I120 PolarHBondContact O-N 3.05Å; A117-I120 PolarHBondContact O-N 3.09Å; R118-I120 VanDerWaalsContact C-N 3.35Å; R118-I120 PolarHBondContact O-N 2.71Å; I120-E122 VanDerWaalsContact C-N 3.34Å; I120-E122 PolarHBondContact O-N 2.76Å; I120-Q123 PolarHBondContact O-N 3.01Å; I120-Q123 VanDerWaalsContact O-N 3.12Å; I120-V124 WeakPolarHBondContact O-CG2 3.43Å; I120-V124 PolarHBondContact O-N 3.38Å
121L94.1Very high92Very high3 Ų368.4 Ų68.42%0.01635%0.349CS..Hα-helixtrans-62.4-38.4178.9-67.2167.1000112.6L87 I94 A97 V103 A117 R118 Q123 V124 C125L87-L121 HydrophobicContact CD1-CD2 4.32Å; I94-L121 HydrophobicContact CD1-CD2 3.62Å; A97-L121 HydrophobicContact CB-CD2 4.46Å; V103-L121 HydrophobicContact CB-CD1 4.1Å; V103-L121 HydrophobicContact CG1-CD1 3.93Å; A117-L121 PolarHBondContact O-N 2.78Å; A117-L121 VanDerWaalsContact O-N 3.1Å; R118-L121 PolarHBondContact O-N 3.36Å; L121-Q123 VanDerWaalsContact C-N 3.33Å; L121-Q123 PolarHBondContact O-N 3.18Å; L121-V124 PolarHBondContact O-N 3.07Å; L121-C125 WeakPolarHBondContact O-CB 3.29Å; L121-C125 PolarHBondContact O-N 2.94Å
122E94.1Very high91.8Very high85 Ų8567.1 Ų67.140%0.39733%0.334SS..Hα-helixtrans-65.1-33.4174.7-163.8-157.5134.800112.6R118 R119 I120 C125 K126R118-E122 WeakPolarHBondContact O-CB 3.22Å; R118-E122 PolarHBondContact O-N 2.85Å; R119-E122 PolarHBondContact O-N 2.72Å; I120-E122 VanDerWaalsContact C-N 3.34Å; I120-E122 PolarHBondContact O-N 2.76Å; E122-C125 WeakPolarHBondContact O-CB 3.49Å; E122-K126 WeakPolarHBondContact O-CD 3.48Å; E122-K126 WeakPolarHBondContact O-CG 3.16Å; E122-K126 PolarHBondContact O-N 2.76Å; E122-K126 IonicContact OE1-NZ 3.07Å; E122-K126 PolarHBondContact OE1-NZ 3.1Å
123Q94.3Very high91.3Very high109 Ų10968.2 Ų68.251%0.50934%0.337SS..Hα-helixtrans-72.4-40.5171.7-68.2-62.4-35.100111.6R119 I120 L121 C125 K126 V127R119-Q123 VanDerWaalsContact O-CG 3.28Å; R119-Q123 WeakPolarHBondContact O-CG 3.15Å; R119-Q123 PolarHBondContact O-N 2.98Å; I120-Q123 PolarHBondContact O-N 3.01Å; I120-Q123 VanDerWaalsContact O-N 3.12Å; L121-Q123 VanDerWaalsContact C-N 3.33Å; L121-Q123 PolarHBondContact O-N 3.18Å; Q123-C125 VanDerWaalsContact C-N 3.31Å; Q123-C125 PolarHBondContact O-N 3.1Å; Q123-K126 PolarHBondContact O-N 2.96Å; Q123-V127 WeakPolarHBondContact O-CB 3.25Å; Q123-V127 WeakPolarHBondContact O-CG2 3.2Å; Q123-V127 PolarHBondContact O-N 3.16Å
124V93.2Very high90.4Very high7 Ų769.8 Ų69.84%0.04235%0.354CS..Hα-helixtrans-61.5-40.8174.21790000111.2A91 I94 A97 I120 L121 K126 V127 G128A91-V124 HydrophobicContact CB-CG2 3.62Å; A91-V124 VanDerWaalsContact O-CG1 3.28Å; A91-V124 WeakPolarHBondContact O-CG1 3.45Å; A91-V124 WeakPolarHBondContact O-CG2 3.49Å; I94-V124 HydrophobicContact CB-CG1 4.29Å; A97-V124 HydrophobicContact CB-CB 3.9Å; A97-V124 HydrophobicContact CB-CG1 3.74Å; I120-V124 WeakPolarHBondContact O-CG2 3.43Å; I120-V124 PolarHBondContact O-N 3.38Å; L121-V124 PolarHBondContact O-N 3.07Å; V124-K126 PolarHBondContact O-N 3.34Å; V124-K126 VanDerWaalsContact O-N 3.17Å; V124-V127 PolarHBondContact O-N 3.18Å; V124-G128 WeakPolarHBondContact O-CA 3.43Å; V124-G128 PolarHBondContact O-N 3.28Å
125C90.9Very high88.9Confident51 Ų5175.4 Ų75.435%0.34538%0.383SS..Hα-helixtrans-55.2-30.8172.8179.70000113.1A97 Q98 L121 E122 Q123A97-C125 HydrophobicContact CB-CB 4.43Å; Q98-C125 PolarHBondContact NE2-SG 3.4Å; L121-C125 WeakPolarHBondContact O-CB 3.29Å; L121-C125 PolarHBondContact O-N 2.94Å; E122-C125 WeakPolarHBondContact O-CB 3.49Å; Q123-C125 VanDerWaalsContact C-N 3.31Å; Q123-C125 PolarHBondContact O-N 3.1Å
126K92.9Very high87.2Confident136 Ų13676 Ų7659%0.59139%0.392SS*.Hα-helixtrans-91-31.8-179.8-67.6165.5-178177.60113.1E122 Q123 V124E122-K126 WeakPolarHBondContact O-CD 3.48Å; E122-K126 WeakPolarHBondContact O-CG 3.16Å; E122-K126 PolarHBondContact O-N 2.76Å; E122-K126 IonicContact OE1-NZ 3.07Å; E122-K126 PolarHBondContact OE1-NZ 3.1Å; Q123-K126 PolarHBondContact O-N 2.96Å; V124-K126 PolarHBondContact O-N 3.34Å; V124-K126 VanDerWaalsContact O-N 3.17Å
127V91.6Very high84.8Confident71 Ų7175.5 Ų75.543%0.4340%0.403SS..Hα-helixtrans-88.1-21.5-177.9172.40000112.9L92 Q123 V124L92-V127 HydrophobicContact CD2-CG1 3.86Å; Q123-V127 WeakPolarHBondContact O-CB 3.25Å; Q123-V127 WeakPolarHBondContact O-CG2 3.2Å; Q123-V127 PolarHBondContact O-N 3.16Å; V124-V127 PolarHBondContact O-N 3.18Å
128G86Confident82.3Confident32 Ų3280.9 Ų80.933%0.3344%0.441SS..  trans76.4159.3-173.600000113.4V124V124-G128 WeakPolarHBondContact O-CA 3.43Å; V124-G128 PolarHBondContact O-N 3.28Å
129C89Confident79.5Confident49 Ų4981.6 Ų81.633%0.33146%0.458SS..  trans-64.2134.2169-166.90000109.9I94I94-C129 VanDerWaalsContact O-CB 3.31Å; I94-C129 WeakPolarHBondContact O-CB 3.39Å; I94-C129 PolarHBondContact O-SG 2.93Å
130K88.1Confident77Confident141 Ų14178.3 Ų78.361%0.61347%0.468SS*.  trans-107.5-9.9175.6-60.8-164-177.6-54.10113.5L92L92-K130 HydrophobicContact CB-CB 4.41Å; L92-K130 HydrophobicContact CD1-CD 4.45Å; L92-K130 HydrophobicContact CD2-CD 4.28Å; L92-K130 HydrophobicContact CD2-CG 4.41Å; L92-K130 PolarHBondContact O-N 2.69Å
131A88.1Confident74.4Confident15 Ų1585.8 Ų85.812%0.12451%0.505CS..SBendtrans-76.4148.4175.300000111.4A64 L92 N93 V133A64-A131 HydrophobicContact CB-CB 4.22Å; L92-A131 PolarHBondContact O-N 3.44Å; N93-A131 HydrophobicContact CB-CB 4.02Å; N93-A131 VanDerWaalsContact OD1-CB 3.28Å; N93-A131 WeakPolarHBondContact OD1-CB 3.31Å; A131-V133 PolarHBondContact O-N 2.98Å
132P84.4Confident72.2Confident54 Ų5492.7 Ų92.735%0.35154%0.54SS..PPolyproline II helixtrans-66.1134174.828.5-34.3000110.4Y32 V63 A64Y32-P132 HydrophobicContact CD1-CG 3.68Å; Y32-P132 HydrophobicContact CD2-CG 4.24Å; Y32-P132 HydrophobicContact CE1-CG 3.56Å; Y32-P132 HydrophobicContact CE2-CG 4.12Å; Y32-P132 HydrophobicContact CG-CG 4.05Å; V63-P132 CarbonylContact C-O 3.43Å; V63-P132 WeakPolarHBondContact CA-O 3.45Å; A64-P132 PolarHBondContact N-O 3.45Å
133V80.8Confident70.3Confident115 Ų11593.1 Ų93.170%0.69755%0.55SS**PPolyproline II helixtrans-59.8139.7170.4179.80000109.1A64 A131 M135A64-V133 HydrophobicContact CB-CG2 4.47Å; A131-V133 PolarHBondContact O-N 2.98Å; V133-M135 PolarHBondContact O-N 3.08Å
134A74.3Confident68.8Low61 Ų6189.7 Ų89.750%0.50455%0.545SS..  trans-69.973.7-178.300000112.4V63 I136V63-A134 HydrophobicContact CB-CB 3.94Å; V63-A134 HydrophobicContact CG1-CB 4.14Å; V63-A134 HydrophobicContact CG2-CB 3.94Å; A134-I136 PolarHBondContact O-N 3.36Å
135M60.8Low68Low164 Ų16493.7 Ų93.781%0.80857%0.566SS**  trans-70.6124.7170.4-58.7-157.3-52.800109.8V133 S137V133-M135 PolarHBondContact O-N 3.08Å; M135-S137 VanDerWaalsContact C-N 3.27Å; M135-S137 PolarHBondContact O-N 2.8Å
136I57.9Low67.6Low160 Ų16091.5 Ų91.582%0.82155%0.551SS**  trans-75.185.5170.8-54.2174.5000107.3A134 S138A134-I136 PolarHBondContact O-N 3.36Å; I136-S138 VanDerWaalsContact C-N 3.31Å; I136-S138 PolarHBondContact O-N 3.35Å
137S42.8Very low67.2Low87 Ų8785 Ų8561%0.60852%0.523SS*.  trans-73.685.5176.7-176.50000110.5M135 C139M135-S137 VanDerWaalsContact C-N 3.27Å; M135-S137 PolarHBondContact O-N 2.8Å; S137-C139 PolarHBondContact O-N 3.31Å; S137-C139 VanDerWaalsContact O-N 3.15Å
138S42.7Very low66.4Low113 Ų11385.9 Ų85.979%0.7953%0.529SS*.  trans-67-0.8166.2-56.40000113.1I136 G140I136-S138 VanDerWaalsContact C-N 3.31Å; I136-S138 PolarHBondContact O-N 3.35Å; S138-G140 PolarHBondContact O-N 2.99Å
139C34.6Very low65.8Low100 Ų10093.6 Ų93.668%0.67655%0.554SS**SBendtrans-76.191.2174.1-1720000111.3S137 M141S137-C139 PolarHBondContact O-N 3.31Å; S137-C139 VanDerWaalsContact O-N 3.15Å; C139-M141 PolarHBondContact O-N 3.47Å
140G40.8Very low65.1Low73 Ų7392.8 Ų92.875%0.75355%0.554SS**  trans60.6-13.5131.500000121.4S138 I142S138-G140 PolarHBondContact O-N 2.99Å; G140-I142 PolarHBondContact O-N 2.89Å
141M41.3Very low64.5Low175 Ų17589.5 Ų89.586%0.86254%0.537SS*.  trans-70.9117.5179.2-67.1-173.172.600109.3C139C139-M141 PolarHBondContact O-N 3.47Å
142I47.8Very low63.6Low148 Ų14889 Ų8976%0.75953%0.533SS*.  trans-41.3138.2-178.2-59.5167.9000110.6G140 G144G140-I142 PolarHBondContact O-N 2.89Å; I142-G144 VanDerWaalsContact C-N 3.27Å; I142-G144 PolarHBondContact O-N 3.08Å
143P53.3Low62.5Low94 Ų9488.4 Ų88.461%0.6153%0.53SS*.  trans-55.189.7170.9-26.135.8000111.3
144G64.2Low61.2Low38 Ų3889.8 Ų89.839%0.39253%0.533SS..  trans-73.4148.4-16700000111.2S5 I142 P146S5-G144 PolarHBondContact OG-O 3.09Å; I142-G144 VanDerWaalsContact C-N 3.27Å; I142-G144 PolarHBondContact O-N 3.08Å; G144-P146 VanDerWaalsContact O-CD 3.25Å; G144-P146 WeakPolarHBondContact O-CD 3.33Å; G144-P146 VanDerWaalsContact O-N 3.12Å
145N76.2Confident60.1Low90 Ų9089 Ų8948%0.48152%0.522SS..  trans-57.8117.1160.617311.9000107.9Y147N145-Y147 PolarHBondContact ND2-O 2.92Å; N145-Y147 PolarHBondContact O-N 3.22Å; N145-Y147 PolarHBondContact OD1-N 3.34Å
146P82.9Confident59.4Low5 Ų584.7 Ų84.73%0.03251%0.505CS..SBendtrans-62.9-13-179.126.6-35.8000112.6M1 I8 V9 V29 H30 G144 P148M1-P146 HydrophobicContact SD-CB 4.2Å; I8-P146 HydrophobicContact CB-CG 4.1Å; I8-P146 HydrophobicContact CG2-CG 3.65Å; V9-P146 HydrophobicContact CG2-CB 3.66Å; V9-P146 HydrophobicContact CG2-CG 3.76Å; V29-P146 WeakPolarHBondContact CA-O 3.48Å; V29-P146 HydrophobicContact CG1-CB 4.23Å; H30-P146 PolarHBondContact N-O 2.7Å; G144-P146 VanDerWaalsContact O-CD 3.25Å; G144-P146 WeakPolarHBondContact O-CD 3.33Å; G144-P146 VanDerWaalsContact O-N 3.12Å; P146-P148 VanDerWaalsContact C-CD 3.44Å; P146-P148 WeakPolarHBondContact O-CD 3.46Å
147Y83.1Confident58.8Low1 Ų180.7 Ų80.70%0.00450%0.503CS..  trans-11175.4175.7-63.7-65.6000112V9 E12 A25 Q28 V29 N145 K149 G150 R151 P152V9-Y147 HydrophobicContact CG2-CE2 4.12Å; E12-Y147 HydrophobicContact CB-CE2 3.82Å; E12-Y147 HydrophobicContact CG-CE2 3.76Å; A25-Y147 WeakPolarHBondContact O-CE1 3.43Å; A25-Y147 PolarHBondContact O-OH 3.21Å; Q28-Y147 HydrophobicContact CB-CD1 4.02Å; Q28-Y147 HydrophobicContact CB-CE1 4.09Å; V29-Y147 HydrophobicContact CG2-CE1 3.64Å; N145-Y147 PolarHBondContact ND2-O 2.92Å; N145-Y147 PolarHBondContact O-N 3.22Å; N145-Y147 PolarHBondContact OD1-N 3.34Å; Y147-K149 PolarHBondContact O-N 2.76Å; Y147-G150 WeakPolarHBondContact CB-O 3.23Å; Y147-G150 PolarHBondContact O-N 2.74Å; Y147-R151 HydrophobicContact CD2-CG 4.17Å; Y147-P152 VanDerWaalsContact CD1-CD 3.48Å; Y147-P152 HydrophobicContact CD1-CG 3.8Å; Y147-P152 HydrophobicContact CE1-CG 3.53Å; Y147-P152 HydrophobicContact CG-CG 4.45Å
148P74.6Confident58.8Low88 Ų8882.4 Ų82.457%0.57151%0.51SS*.THydrogen-bonded Turntrans-64.1-10.1-17927.2-36.1000114.1H30 P146H30-P148 HydrophobicContact CB-CG 3.77Å; P146-P148 VanDerWaalsContact C-CD 3.44Å; P146-P148 WeakPolarHBondContact O-CD 3.46Å
149K74.8Confident58.6Low195 Ų19581.1 Ų81.185%0.84849%0.49SS*.THydrogen-bonded Turntrans-102.69.8174.7-62.1-171.6176.8-174.10114Y147Y147-K149 PolarHBondContact O-N 2.76Å
150G74.1Confident58.9Low31 Ų3182 Ų8232%0.3249%0.494SS..  trans92.9157.6-172.900000113.2Y147Y147-G150 WeakPolarHBondContact CB-O 3.23Å; Y147-G150 PolarHBondContact O-N 2.74Å
151R74.4Confident58.6Low72 Ų7281.7 Ų81.727%0.27249%0.491SS..  trans-73.8122.8-171.4-93.9-174.8-176.6-119.816112.6D11 E12 Y147 S153 L154 V155D11-R151 IonicContact OD2-CZ 3.54Å; D11-R151 IonicContact OD2-NH1 3.32Å; D11-R151 PolarHBondContact OD2-NH1 3.39Å; D11-R151 IonicContact OD2-NH2 2.62Å; E12-R151 VanDerWaalsContact OE1-C 3.23Å; E12-R151 VanDerWaalsContact OE1-CB 3.23Å; E12-R151 WeakPolarHBondContact OE1-CB 3.18Å; E12-R151 VanDerWaalsContact OE2-CD 3.3Å; E12-R151 WeakPolarHBondContact OE2-CD 3.1Å; E12-R151 WeakPolarHBondContact OE2-CG 3.37Å; E12-R151 IonicContact OE2-CZ 2.66Å; E12-R151 IonicContact OE2-NE 3.76Å; E12-R151 IonicContact OE2-NH1 3.55Å; E12-R151 PolarHBondContact OE2-NH1 3.29Å; Y147-R151 HydrophobicContact CD2-CG 4.17Å; R151-S153 VanDerWaalsContact C-N 3.3Å; R151-S153 PolarHBondContact O-N 3.23Å; R151-L154 HydrophobicContact CB-CB 4.44Å; R151-L154 HydrophobicContact CB-CD1 3.99Å; R151-L154 PolarHBondContact O-N 3.48Å; R151-L154 VanDerWaalsContact O-N 3.14Å; R151-V155 PolarHBondContact O-N 3.26Å
152P70.2Confident58.6Low4 Ų481.3 Ų81.33%0.02649%0.491CS..G310 helixtrans-48.7-40-179.6-27.929.4000116.2E12 A25 Q28 Y147 L154 V155 T156E12-P152 HydrophobicContact CG-CB 4.34Å; E12-P152 HydrophobicContact CG-CG 4.13Å; E12-P152 VanDerWaalsContact OE1-CD 3.26Å; E12-P152 WeakPolarHBondContact OE1-CD 3.37Å; A25-P152 HydrophobicContact CB-CB 3.89Å; A25-P152 HydrophobicContact CB-CG 3.85Å; Q28-P152 HydrophobicContact CB-CG 4.36Å; Y147-P152 VanDerWaalsContact CD1-CD 3.48Å; Y147-P152 HydrophobicContact CD1-CG 3.8Å; Y147-P152 HydrophobicContact CE1-CG 3.53Å; Y147-P152 HydrophobicContact CG-CG 4.45Å; P152-L154 VanDerWaalsContact C-N 3.33Å; P152-L154 PolarHBondContact O-N 3.12Å; P152-V155 PolarHBondContact O-N 2.78Å; P152-T156 PolarHBondContact O-OG1 3.19Å
153S60.4Low57.7Low43 Ų4382.1 Ų82.130%0.30150%0.496SS..G310 helixtrans-71-30.4-175.975.10000112.5E12 R151E12-S153 WeakPolarHBondContact OE1-CB 3.31Å; E12-S153 PolarHBondContact OE1-N 3.14Å; E12-S153 PolarHBondContact OE1-OG 3.39Å; E12-S153 VanDerWaalsContact OE1-OG 3.12Å; R151-S153 VanDerWaalsContact C-N 3.3Å; R151-S153 PolarHBondContact O-N 3.23Å
154L54.9Low56.9Low143 Ų14382.7 Ų82.775%0.74950%0.5SS*.G310 helixtrans-82-13.8179.2-78.6155.7000113.2R151 P152R151-L154 HydrophobicContact CB-CB 4.44Å; R151-L154 HydrophobicContact CB-CD1 3.99Å; R151-L154 PolarHBondContact O-N 3.48Å; R151-L154 VanDerWaalsContact O-N 3.14Å; P152-L154 VanDerWaalsContact C-N 3.33Å; P152-L154 PolarHBondContact O-N 3.12Å
155V50.5Low55.3Low45 Ų4589.4 Ų89.427%0.27353%0.525SS..SBendtrans-99.30.9-178.61800000112.3R151 P152 G157 T158 F159R151-V155 PolarHBondContact O-N 3.26Å; P152-V155 PolarHBondContact O-N 2.78Å; V155-G157 PolarHBondContact O-N 3.01Å; V155-T158 VanDerWaalsContact O-O 3.09Å; V155-F159 HydrophobicContact CG1-CD1 4.18Å; V155-F159 HydrophobicContact CG1-CE1 4.35Å; V155-F159 HydrophobicContact CG1-CG 4.47Å
156T46.1Very low53.1Low74 Ų7494.2 Ų94.245%0.45454%0.541SS..THydrogen-bonded Turntrans-84.166178.8-53.20000112.6P152P152-T156 PolarHBondContact O-OG1 3.19Å
157G45Very low50.7Low75 Ų75103 Ų10377%0.77358%0.579SS**THydrogen-bonded Turntrans-129.6-46.8156.800000110V155V155-G157 PolarHBondContact O-N 3.01Å
158T43Very low48Very low123 Ų123109.4 Ų109.476%0.75561%0.613SS**  trans-144.4137.2169.2-26.90000107.9V155 P160V155-T158 VanDerWaalsContact O-O 3.09Å; T158-P160 VanDerWaalsContact O-CD 3.24Å; T158-P160 WeakPolarHBondContact O-CD 3.26Å
159F37.8Very low45.9Very low87 Ų87110.5 Ų110.538%0.38262%0.623SS.*  trans-94.8107.8174.2-99.6-84.9000110.8V155V155-F159 HydrophobicContact CG1-CD1 4.18Å; V155-F159 HydrophobicContact CG1-CE1 4.35Å; V155-F159 HydrophobicContact CG1-CG 4.47Å
160P41.7Very low43.7Very low118 Ų118109.6 Ų109.677%0.76662%0.622SS**  trans-91.499.3165.631.4-20.8000108.5T158T158-P160 VanDerWaalsContact O-CD 3.24Å; T158-P160 WeakPolarHBondContact O-CD 3.26Å
161G35.5Very low41.6Very low67 Ų67117.9 Ų117.969%0.69165%0.649SS**  trans-162.6-8-174.300000117.8
162I39.5Very low39.4Very low167 Ų167123.5 Ų123.586%0.85668%0.675SS**  trans-133.370.8173.8-45.8178.5000108.9
163L30.1Very low37.4Very low164 Ų164130.7 Ų130.786%0.85971%0.709SS**  trans-92.2133.8154.4-84.2167.7000107.6
164P36.5Very low35.9Very low106 Ų106136.2 Ų136.269%0.68874%0.735SS**  trans-67.7151.7176.529.6-34.6000110.4K166P164-K166 VanDerWaalsContact C-N 3.35Å; P164-K166 PolarHBondContact O-N 2.9Å
165I30.7Very low34.5Very low179 Ų179132.6 Ų132.692%0.91873%0.732SS**  trans-6894.7171.6-59.5171.2000108
166K30.3Very low33.3Very low192 Ų192136.5 Ų136.584%0.83576%0.761SS**  trans-100.6107.6166.6-163.1176.3-176.8-1740108.3P164P164-K166 VanDerWaalsContact C-N 3.35Å; P164-K166 PolarHBondContact O-N 2.9Å
167K31.3Very low32.5Very low190 Ų190138.6 Ų138.683%0.82678%0.779SS**  trans-61.3136.8170.1-178.9179175.6-175.80108.6
168D27.6Very low31.8Very low135 Ų135140.8 Ų140.872%0.72278%0.782SS**  trans-69.5137.1-171.9-166-86.6000113
169S30Very low31.6Very low111 Ų111142.6 Ų142.678%0.77678%0.784SS**  trans-178.7142151.1-73.50000109.3
170E28.8Very low31.4Very low175 Ų175147.1 Ų147.182%0.81881%0.807SS**  trans-92150.3-163.4-57.3165.369.500116.4
171K29.7Very low31.5Very low205 Ų205145 Ų14589%0.89181%0.806SS**  -177.7128.8118.4-101.1168.1-177.31780113.6
172K28.8Very low32Very low190 Ų190149.8 Ų149.883%0.82681%0.808SS**  trans32.8153154.8-75.9-159.6168.5-158.40124.3
173E26.5Very low32.3Very low156 Ų156144.3 Ų144.373%0.72979%0.792SS**  trans-38.4160159.1-69151.8128.700114.8
174D28.7Very low33.3Very low159 Ų159143.6 Ų143.685%0.8579%0.788SS**  cis-141.317039.2-103.5-60.8000116.9
175G27.5Very low33.9Very low66 Ų66141.9 Ų141.968%0.6878%0.783SS**  trans-73.1159-160.400000120.9
176S24.7Very low35Very low128 Ų128137.8 Ų137.890%0.89577%0.77SS**  trans178.778137.8380000111
177S29.5Very low36Very low117 Ų117139.7 Ų139.782%0.81877%0.772SS**  trans-91.8134.8171.9520000111.8M179S177-M179 PolarHBondContact O-N 3Å
178S30.3Very low37Very low121 Ų121137.3 Ų137.385%0.84677%0.767SS**  trans-56.6128.6-176.2-1730000113
179M37.5Very low38Very low162 Ų162136.7 Ų136.780%0.79876%0.762SS**  trans-10198.9169.2-99.4-84-146.100109S177S177-M179 PolarHBondContact O-N 3Å
180E34.4Very low38.7Very low182 Ų182133.6 Ų133.685%0.8575%0.748SS**  trans-151.8144.9158.9-166.770.3118.400108.5
181G43.1Very low39.4Very low72 Ų72131.7 Ų131.774%0.74275%0.751SS**  trans91.137.6172.400000117.6
182K47.2Very low39.6Very low169 Ų169129.3 Ų129.374%0.73574%0.74SS**  trans-105.2114.9160.4-75.1-175.1178.4177.70110.7
183G44.9Very low40.4Very low52 Ų52129.1 Ų129.154%0.53674%0.739SS.*  trans-63.2152.3-179.900000113.4A185 S186G183-A185 PolarHBondContact O-N 3.46Å; G183-S186 PolarHBondContact O-N 3.03Å
184I52.3Low41.1Very low148 Ų148127.5 Ų127.576%0.75974%0.743SS**THydrogen-bonded Turntrans-55.4-31.4-168.8-54173000112.7S186 R187I184-S186 VanDerWaalsContact C-N 3.25Å; I184-S186 PolarHBondContact O-N 2.98Å; I184-R187 PolarHBondContact O-N 3Å; I184-R187 VanDerWaalsContact O-N 3.07Å
185A49.2Very low41.3Very low71 Ų71128 Ų12859%0.58774%0.738SS**Hα-helixtrans-53.1-36.4176.500000114.1G183 R187 I188G183-A185 PolarHBondContact O-N 3.46Å; A185-R187 PolarHBondContact O-N 3.01Å; A185-R187 VanDerWaalsContact O-N 3.12Å; A185-I188 PolarHBondContact O-N 2.99Å
186S51.8Low41.9Very low92 Ų92130.4 Ų130.464%0.64374%0.741SS**Hα-helixtrans-70.5-3-180-62.20000114.9G183 I184G183-S186 PolarHBondContact O-N 3.03Å; I184-S186 VanDerWaalsContact C-N 3.25Å; I184-S186 PolarHBondContact O-N 2.98Å
187R52Low42.8Very low232 Ų232130 Ų13088%0.87574%0.739SS**Hα-helixtrans-99.6-17.3173.8-170.3171.8-70.4-164.30.5113.3I184 A185I184-R187 PolarHBondContact O-N 3Å; I184-R187 VanDerWaalsContact O-N 3.07Å; A185-R187 PolarHBondContact O-N 3.01Å; A185-R187 VanDerWaalsContact O-N 3.12Å
188I52.1Low43.5Very low140 Ų140130.5 Ų130.572%0.71874%0.737SS**Hα-helixtrans-88.2-34.1-177.2-58.7176.6000111.1A185 G190A185-I188 PolarHBondContact O-N 2.99Å; I188-G190 PolarHBondContact O-N 2.99Å
189I48.8Very low43.9Very low123 Ų123134.6 Ų134.663%0.63174%0.735SS**SBendtrans-88.593.1176-56.2-180000109.2F192I189-F192 HydrophobicContact CG2-CD2 3.98Å; I189-F192 HydrophobicContact CG2-CE2 4.06Å
190G44.4Very low44.1Very low46 Ų46132.5 Ų132.547%0.47473%0.727SS.*  trans-64.9169.7166.300000112.4I188 F192I188-G190 PolarHBondContact O-N 2.99Å; G190-F192 PolarHBondContact O-N 3.4Å
191P43.2Very low44.7Very low135 Ų135128 Ų12888%0.87771%0.714SS**  trans-63.4109.6-17625.9-34.1000111.3K193P191-K193 PolarHBondContact O-N 3.14Å
192F35.3Very low44.8Very low154 Ų154131.9 Ų131.968%0.67571%0.712SS**PPolyproline II helixtrans-62.4121.8174.4-100.9-99.3000110.3I189 G190 F195I189-F192 HydrophobicContact CG2-CD2 3.98Å; I189-F192 HydrophobicContact CG2-CE2 4.06Å; G190-F192 PolarHBondContact O-N 3.4Å; F192-F195 HydrophobicContact CD1-CZ 4.13Å; F192-F195 HydrophobicContact CE1-CE1 4.41Å; F192-F195 AromaticContact CE1-CZ 3.99Å; F192-F195 HydrophobicContact CE1-CZ 3.99Å
193K44.8Very low44.6Very low186 Ų186134.5 Ų134.581%0.80972%0.717SS**PPolyproline II helixtrans-64.6147.5160.9-71.4178.9176.9177.80108.9P191P191-K193 PolarHBondContact O-N 3.14Å
194P41Very low44.5Very low123 Ų123138.2 Ų138.280%0.79973%0.732SS**PPolyproline II helixtrans-60.4144.1173.726.6-34.5000110.8
195F33.9Very low43.9Very low169 Ų169136.7 Ų136.774%0.74173%0.73SS**PPolyproline II helixtrans-67.4138.2179.9-64.1-86.9000111.3F192F192-F195 HydrophobicContact CD1-CZ 4.13Å; F192-F195 HydrophobicContact CE1-CE1 4.41Å; F192-F195 AromaticContact CE1-CZ 3.99Å; F192-F195 HydrophobicContact CE1-CZ 3.99Å
196P38.8Very low43.7Very low116 Ų116139 Ų13975%0.75374%0.739SS**PPolyproline II helixtrans-73.8132.2170.730.4-33.3000110.9T198P196-T198 PolarHBondContact O-N 2.92Å
197S43.9Very low43.2Very low121 Ų121144.5 Ų144.585%0.84675%0.747SS**SBendtrans-78.677.4-179.4-60.10000112.9
198T45.6Very low42.9Very low127 Ų127139.1 Ų139.178%0.77974%0.742SS**  trans-177.2122.4148.8-78.20000109P196P196-T198 PolarHBondContact O-N 2.92Å
199Y37.1Very low42.5Very low206 Ų206140 Ų14081%0.80875%0.746SS**  trans-106.7123.5167.6-178.1-99.9000109.3P201Y199-P201 HydrophobicContact CE1-CB 4.06Å
200N42.1Very low42.4Very low118 Ų118139 Ų13963%0.63175%0.748SS**  trans-109.5114.4179.2-175.6-16.3000108.7H202N200-H202 VanDerWaalsContact C-N 3.25Å; N200-H202 PolarHBondContact O-N 3.46Å; N200-H202 VanDerWaalsContact O-N 3.12Å
201P48.1Very low42.4Very low88 Ų88142.9 Ų142.957%0.57177%0.765SS**  trans-78.76.8-163.531.1-36.5000115.6Y199Y199-P201 HydrophobicContact CE1-CB 4.06Å
202H44.1Very low42.1Very low153 Ų153142.6 Ų142.671%0.70877%0.765SS**  trans-109.770.4-172.6-70.4-77.7000114.6N200N200-H202 VanDerWaalsContact C-N 3.25Å; N200-H202 PolarHBondContact O-N 3.46Å; N200-H202 VanDerWaalsContact O-N 3.12Å
203R42.5Very low42.4Very low224 Ų224147 Ų14785%0.84578%0.777SS**  trans-175.2116.5149.1-100.3148.2-156.3-115.94.4111.4
204P43.8Very low42.5Very low130 Ų130143.7 Ų143.784%0.84478%0.775SS**  trans-68.4129.3164.6-15.330.2000110
205V40.3Very low42.1Very low117 Ų117147 Ų14771%0.70978%0.779SS**  trans-105119.1169.8-178.70000107.8
206P45.1Very low42.5Very low119 Ų119141.2 Ų141.277%0.77376%0.762SS**PPolyproline II helixtrans-79131.5-174.930.7-33.9000111.8
207Y41.4Very low42.6Very low207 Ų207139.4 Ų139.481%0.81275%0.749SS**PPolyproline II helixtrans-95.2132.6164.3-80.5-82.9000109.9
208P44.6Very low42.2Very low120 Ų120139.6 Ų139.678%0.77974%0.739SS**PPolyproline II helixtrans-75.5128.8179.129.9-33.6000111.3
209I44.6Very low41.8Very low158 Ų158136.9 Ų136.981%0.8173%0.729SS**PPolyproline II helixtrans-95.6118.7173.1-59.3175.1000108.3
210P45.3Very low42Very low103 Ų103131.4 Ų131.467%0.66972%0.719SS**PPolyproline II helixtrans-70.5144.7173.129.3-33.5000111.1C212P210-C212 PolarHBondContact O-N 2.8Å
211P44.9Very low41.6Very low127 Ų127132.2 Ų132.283%0.82573%0.734SS**  trans-82.1111.4-165.830.7-35.5000113.8
212C37.5Very low41.2Very low129 Ų129132.5 Ų132.587%0.87274%0.744SS**  trans-83.6114.6162.5-61.10000110P210P210-C212 PolarHBondContact O-N 2.8Å
213R41.7Very low40.6Very low245 Ų245135.8 Ų135.893%0.92575%0.752SS**  trans-81.2146.4169.3-89.7-172.1169.8-166.7-2.4111.2
214P45.8Very low40.3Very low118 Ų118130.3 Ų130.377%0.76674%0.739SS**  trans-104.7155.9-167.739.3-35.7000115.2
215H33.6Very low39.8Very low193 Ų193132.1 Ų132.189%0.89474%0.742SS**  trans-170.3148.1154.8-127.1-99.7000110.1
216A41Very low39.6Very low47 Ų47130.6 Ų130.639%0.38874%0.741SS.*  cis-160.8105.8-38.100000110.7P773A216-P773 WeakPolarHBondContact O-CG 3.24Å
217T41.6Very low39.1Very low77 Ų77128.1 Ų128.147%0.47274%0.738SS.*  trans35.581.1131.6-53.20000121V771T217-V771 WeakPolarHBondContact CA-O 2.92Å; T217-V771 HydrophobicContact CG2-CB 3.57Å; T217-V771 HydrophobicContact CG2-CG2 3.21Å; T217-V771 WeakPolarHBondContact CG2-O 3.02Å
218I36.1Very low38.8Very low126 Ų126126.7 Ų126.765%0.64674%0.743SS**  trans-158.8132.2167.2-51.3178.5000110.3L772I218-L772 VanDerWaalsContact N-N 3.15Å; I218-L772 CarbonylContact O-C 3.6Å; I218-L772 PolarHBondContact O-N 2.65Å
219A37.4Very low38.2Very low69 Ų69127.6 Ų127.657%0.5775%0.746SS**  cis-170.4149.2-16.200000114.6V771A219-V771 HydrophobicContact CB-CG1 3.46Å; A219-V771 VanDerWaalsContact CB-CG1 3.46Å
220P41.3Very low37.6Very low92 Ų92125.2 Ų125.260%0.59774%0.743SS**  trans-116125.7163.437.2-26.9000115.2P770P220-P770 WeakPolarHBondContact CD-O 3.31Å
221S33.5Very low37.2Very low135 Ų135126.6 Ų126.694%0.94475%0.75SS**  trans-166.2155.9157.8-82.60000109.4
222A38.9Very low36.5Very low94 Ų94124 Ų12478%0.77775%0.745SS**  trans-104.9153.4-169.100000114.3
223Y32.4Very low36.2Very low222 Ų222121.8 Ų121.887%0.87175%0.745SS**  trans-115.4113.4155.1-112.6-104.6000106.1
224N36.3Very low35.7Very low109 Ų109116.5 Ų116.558%0.58374%0.74SS**  78.3108.458.3-169.7-5.1000112.7A226N224-A226 PolarHBondContact OD1-N 3.03Å
225N33.2Very low35.1Very low168 Ų168118.7 Ų118.790%0.89874%0.743SS**  trans-129.5118139.9-85-80.4000107.7
226A35.8Very low34.9Very low84 Ų84115.1 Ų115.169%0.69474%0.735SS**  trans-70.2160.6161.400000109.3N224N224-A226 PolarHBondContact OD1-N 3.03Å
227G33.8Very low34.3Very low68 Ų68117.3 Ų117.370%0.70175%0.753SS**  cis108.176.315.400000110.2
228L34.8Very low33.7Very low177 Ų177120.9 Ų120.993%0.92777%0.769SS**  trans-114.8148.5173.2-76.2176.9000110.9
229V33Very low33.5Very low139 Ų139120.8 Ų120.884%0.84277%0.774SS**  trans-158.2157.4-167.5-99.30000108
230S31.1Very low33.8Very low107 Ų107122.6 Ų122.675%0.74878%0.78SS**  cis-144.9-144.69-163.30000109.8
231V36.4Very low33.8Very low133 Ų133123.6 Ų123.681%0.80679%0.787SS**  trans83131.1162.3-167.30000114.5
232G31.7Very low34.1Very low71 Ų71122.6 Ų122.673%0.73278%0.777SS**  cis120.7137-300000113.2
233G31.4Very low34.2Very low84 Ų84122.8 Ų122.887%0.86677%0.77SS**  trans111.2116.4168.900000116.1
234V29.7Very low34Very low133 Ų133123.7 Ų123.781%0.80677%0.774SS**  trans-78.4138.3165.7167.80000110.2
235I34.3Very low33.6Very low164 Ų164127 Ų12784%0.84179%0.785SS**  trans-153.3-165132.5-21170.9000110.4
236T28.9Very low33.3Very low119 Ų119124.2 Ų124.273%0.7378%0.779SS**  trans-142.1153.5-148.656.90000117.2
237A28.2Very low32.9Very low92 Ų92124.6 Ų124.676%0.7678%0.777SS**  trans83.5147.3142.900000123.5
238N28.7Very low32.8Very low152 Ų152129.7 Ų129.781%0.81378%0.782SS**  trans78.589.1146.7-81.47.8000126.2
239V32Very low32.3Very low124 Ų124129.9 Ų129.975%0.75278%0.776SS**  68.7-162.6128-136.30000119.1
240P44.4Very low32.1Very low108 Ų108130.6 Ų130.670%0.70177%0.773SS**  -117.1-149.7-12344.5-24000113.4
241P41.2Very low31.8Very low113 Ų113130 Ų13073%0.73478%0.775SS**  cis-129.4-100.1-2.826.41.4000121.2
242P40.1Very low31.1Very low113 Ų113130.5 Ų130.573%0.73477%0.773SS**  -128.2-144.7-127.143.3-20.6000116.7
243P41Very low30.7Very low98 Ų98131.6 Ų131.664%0.63677%0.768SS**  -131.1-174.5-106.944-24.8000115.8
244Y27.7Very low30.4Very low241 Ų241132.6 Ų132.695%0.94576%0.762SS**  trans-142.6158.7163.3-88.8-75.3000113.9
245H28.3Very low30.2Very low178 Ų178132.7 Ų132.782%0.82476%0.762SS**  trans-142.1154-163.9-111.7-69.3000112.1
246S27Very low29.8Very low110 Ų110130.6 Ų130.677%0.76976%0.762SS**  trans156.6157.114552.70000112.7
247S27.9Very low29.6Very low93 Ų93128.5 Ų128.565%0.6577%0.765SS**  cis-167.6132.1-24.2-93.30000113.9
248H30.2Very low29.6Very low175 Ų175134.1 Ų134.181%0.8177%0.772SS**  trans51.4169.6149.3-45.3-64.6000121.4
249K26.2Very low29.5Very low181 Ų181133.1 Ų133.179%0.78778%0.777SS**  cis-14713812.2-82.7-172.7174.6-1760114.4
250I27.6Very low29.3Very low153 Ų153134.2 Ų134.279%0.78578%0.778SS**  62.5140.7127.3-55.8173.3000123
251A24.7Very low28.9Very low95 Ų95134.7 Ų134.779%0.78578%0.782SS**  trans76.7148.6160.600000120.1
252D21.7Very low28.1Very low144 Ų144137.3 Ų137.377%0.7778%0.784SS**  cis-163.3166.4-25.3-172-140.6000111.5
253C23.3Very low28.2Very low93 Ų93136.2 Ų136.263%0.62878%0.777SS**  trans43.6103.6159.5-80.50000123.7
254S25Very low27.6Very low105 Ų105137.2 Ų137.273%0.73479%0.786SS**  64.4142.4112.882.30000125.2
255V25.3Very low27.5Very low135 Ų135134 Ų13482%0.81878%0.78SS**  trans83.7123.8146.4169.70000121.8
256S26Very low27.3Very low120 Ų120130.1 Ų130.184%0.83977%0.771SS**  trans24130.7145.5-160.50000122.5
257G26.5Very low27.2Very low76 Ų76132 Ų13278%0.78477%0.772SS**  trans-167129.8158.800000113.6
258K27.4Very low27.2Very low210 Ų210133.7 Ų133.791%0.91377%0.773SS**  trans-103.2133168.3-67.8175.3-178.91720109.6
259S26.1Very low27.1Very low130 Ų130136.2 Ų136.291%0.90978%0.775SS**  trans-161.4149.7153.553.20000112.6
260N28.8Very low27.2Very low147 Ų147133.7 Ų133.779%0.78678%0.775SS**  trans-154.3137.6166.7-170.613.6000104.7
261P35.5Very low27.2Very low119 Ų119132.4 Ų132.477%0.77377%0.773SS**  -149.2168.8104.137.6-20.3000117
262E24.1Very low27.4Very low168 Ų168133.6 Ų133.679%0.78577%0.771SS**  trans-44.6-179.7154.4-99.5-154.4127.600116.7
263P42.5Very low27.6Very low90 Ų90133.3 Ų133.358%0.58477%0.769SS**  cis-141.5-177.4-26.435.3-17.2000114.8
264S28Very low27.8Very low118 Ų118137.4 Ų137.483%0.82578%0.775SS**  trans-162.198.3142.3-870000116
265Q26.3Very low28.2Very low174 Ų174140.4 Ų140.481%0.81378%0.778SS**  trans45.8108.9132-63.4-77.72.800122.5
266C23.4Very low28.2Very low96 Ų96142.1 Ų142.165%0.64978%0.775SS**  65.6122.4118.2-153.30000123
267L25.4Very low28.3Very low151 Ų151145.1 Ų145.179%0.79177%0.768SS**  -167.9127.2107.8-131.884000116.3
268I27.6Very low28.3Very low128 Ų128153.1 Ų153.166%0.65677%0.774SS**  trans39.8118.3137.9-66.7174.8000122.6
269R28.9Very low28.3Very low227 Ų227151.7 Ų151.786%0.85777%0.768SS**  trans38137138.6-52.9174.7178.8177.3-1.6121.8
270V27.4Very low28.2Very low129 Ų129150.7 Ų150.778%0.78276%0.76SS**  166.5113.5109.8158.60000113.4
271V28.3Very low28Very low125 Ų125152.7 Ų152.776%0.75877%0.767SS**  trans50.7119.3133.4-169.20000122.3
272V27.9Very low27.7Very low121 Ų121154.2 Ų154.273%0.73377%0.767SS**  trans92.8124.5142157.20000123.8
273L26.6Very low28.1Very low138 Ų138152 Ų15272%0.72377%0.767SS**  trans58.8136.4153.1-9768.6000124.7
274K27.5Very low27.3Very low178 Ų178153.2 Ų153.277%0.77478%0.778SS**  trans62.283.7143.6-73.7-176178.8178.80120.4
275Q31.9Very low27.6Very low169 Ų169153.5 Ų153.579%0.7977%0.774SS**  49.5110.7102.1-176.6661.100119
276F26.6Very low28.5Very low170 Ų170151.1 Ų151.175%0.74677%0.774SS**  trans-153.6141.8137.2-138.7-122.3000115.3
277R28.3Very low28.8Very low183 Ų183152.1 Ų152.169%0.69178%0.777SS**  trans10.3132.1164.7-64.4-178.9177.5163.7-3.5121.9
278R26.9Very low28.9Very low244 Ų244149.6 Ų149.692%0.92177%0.772SS**  -99.2129.8113.6-71.5179.5176.8167.6-1.3106.9
279K26.4Very low28.9Very low181 Ų181149 Ų14979%0.78777%0.77SS**  66.38169.6-150.385.7172.2-169.30109.1
280C24.7Very low28.7Very low108 Ų108148.3 Ų148.373%0.7377%0.769SS**  73.1111.372.8-61.50000114
281M24.5Very low28.8Very low190 Ų190148.8 Ų148.894%0.93676%0.764SS**  trans-150.1138.2148.4-120.2174.177.800109.9
282I29.4Very low30Very low150 Ų150148 Ų14877%0.76976%0.762SS**  trans-140.3129.1175.3-66.3172000105.7
283P30.8Very low29.7Very low123 Ų123148.1 Ų148.180%0.79977%0.767SS**PPolyproline II helixtrans-81.8144163.233-31000110.7
284S26.6Very low30.1Very low115 Ų115151.7 Ų151.780%0.80477%0.77SS**PPolyproline II helixtrans-82.3164.4-162-55.70000116.2
285T34.9Very low30.1Very low123 Ų123151 Ų15176%0.75577%0.773SS**PPolyproline II helixtrans-72.7167.5166.752.20000112.5
286P44.1Very low29.9Very low124 Ų124146.4 Ų146.481%0.80576%0.76SS**  -141.3165.9106.520.70.6000114.1
287V29.7Very low29.9Very low118 Ų118146.6 Ų146.672%0.71576%0.763SS**  cis-166.6148.3-28.5114.60000108.9
288S28.7Very low29.9Very low97 Ų97143.4 Ų143.468%0.67876%0.764SS**  trans56.8138.5157.1-73.30000122.1
289D26.5Very low29.8Very low116 Ų116141.4 Ų141.462%0.6276%0.762SS**  cis-151.7-135.2-8.4-135.7-90.9000110.9
290Y25.7Very low29.8Very low212 Ų212139.7 Ų139.783%0.83176%0.759SS**  cis-139.7158.18.7-139.7-86.4000113
291M29.3Very low29.9Very low140 Ų140141.3 Ų141.369%0.6976%0.76SS**  trans-115.3-164.5-171.8-88.2-74.4110.200110.8
292P52.2Low29.9Very low109 Ų109138 Ų13871%0.70876%0.755SS**  cis-119.6-162.5-17.411.716000110.8
293C23.2Very low29.8Very low123 Ų123138.7 Ų138.783%0.83176%0.755SS**  cis-154.3172.718.4-148.60000114.6
294R33.7Very low29.5Very low212 Ų212140.1 Ų140.180%0.876%0.756SS**  trans-133170.4177.2-65.1-172.6-179.6-176.61.2112.3S296R294-S296 VanDerWaalsContact CD-OG 3.26Å; R294-S296 WeakPolarHBondContact CD-OG 3.41Å; R294-S296 PolarHBondContact NH1-OG 2.88Å
295I27.6Very low29.6Very low163 Ų163140.6 Ų140.684%0.83675%0.754SS**  trans-149.4134133.3-101.5162.1000106
296S29.1Very low29.3Very low73 Ų73138.6 Ų138.651%0.5175%0.75SS.*  cis81.9106.71.8-50.30000118.7R294R294-S296 VanDerWaalsContact CD-OG 3.26Å; R294-S296 WeakPolarHBondContact CD-OG 3.41Å; R294-S296 PolarHBondContact NH1-OG 2.88Å
297E26Very low28.5Very low174 Ų174138.9 Ų138.981%0.81375%0.75SS**  trans-152.2143.6169.2-106.3-877800108.7
298V27.3Very low28.2Very low117 Ų117141.8 Ų141.871%0.70976%0.755SS**  trans-160.2141.4-172.2172.50000109.8
299F25.1Very low28.1Very low201 Ų201141.8 Ų141.888%0.88276%0.755SS**  trans-150.3-179.4157-111.7-73.5000114.3
300M26.3Very low29Very low145 Ų145142 Ų14271%0.71476%0.763SS**  trans-135.5161-147.1-65.3-144.3-59.900118
301L28.1Very low29.1Very low143 Ų143139 Ų13975%0.74976%0.761SS**  trans40.2131.3143.6-78.1166.7000122.5
302S23.8Very low29.9Very low121 Ų121137.9 Ų137.985%0.84676%0.764SS**  -158.2157.3127.9-165.10000111.1
303E26.9Very low28.7Very low164 Ų164140.6 Ų140.677%0.76677%0.772SS**  trans-122.3149.8178.5-68.6-179.981.600111.3
304N25.3Very low28.9Very low153 Ų153137.8 Ų137.882%0.81876%0.764SS**  -165.1171.4125.4-120.6-67.4000117
305T28.5Very low28.7Very low125 Ų125138 Ų13877%0.76777%0.771SS**  trans-84.3-178.7-174.959.50000112.6
306A27.8Very low28.8Very low81 Ų81135.8 Ų135.867%0.66977%0.769SS**  cis-160.6156.516.600000115.3
307V26.8Very low28.9Very low130 Ų130140.2 Ų140.279%0.78879%0.786SS**  trans48.7115.7140.21790000122.3
308H25Very low29.1Very low179 Ų179136 Ų13683%0.82978%0.782SS**  -165.6164.8112.2-134.775.4000113.8
309S26.4Very low29.1Very low97 Ų97136.2 Ų136.268%0.67878%0.783SS**  trans-155.3167.2175-117.90000108.7
310P44.8Very low29.3Very low120 Ų120135.4 Ų135.478%0.77978%0.779SS**  cis-137.8-170.723.240.8-20.6000116.4
311N28.3Very low29.5Very low148 Ų148138.8 Ų138.879%0.79179%0.791SS**  trans-73.9174.1165.7-91.1-70000112.1
312P44.8Very low29.5Very low117 Ų117138.8 Ų138.876%0.7679%0.79SS**  cis-144.7-166.523.442.4-21.2000117.9
313L27.7Very low29.7Very low167 Ų167138.3 Ų138.387%0.87479%0.787SS**  trans99.277148.1-157.169.7000120.3
314G28.3Very low29.7Very low64 Ų64139.1 Ų139.166%0.6679%0.788SS**  59.9116.5122.100000121.8
315K29.1Very low29.9Very low217 Ų217134.8 Ų134.894%0.94378%0.78SS**  trans-160.4159.7138.2-101.6136.3-168.7172.40111.3
316S28.9Very low29.9Very low115 Ų115136 Ų13680%0.80478%0.781SS**  trans-84.3138.2-177.7178.70000112.3
317L31.3Very low30Very low166 Ų166137.1 Ų137.187%0.86978%0.779SS**  trans-154.9139.4144.1-155.567.7000111.2
318A30.4Very low30Very low87 Ų87139.6 Ų139.672%0.71978%0.783SS**  trans-97.4148.3174.400000111.4
319T27.9Very low30.2Very low121 Ų121134.2 Ų134.274%0.74277%0.769SS**  trans-154109.3158.2-830000112.5
320K29.5Very low30.1Very low184 Ų184139.9 Ų139.980%0.878%0.782SS**  trans43.2102.4138.8-52.5174-170.7174.90118.4
321F29.2Very low29.1Very low216 Ų216143.2 Ų143.295%0.94778%0.784SS**  trans-67.5131.1143.3-90.2-93000109.2S323F321-S323 PolarHBondContact O-N 3.34Å
322L27.9Very low29Very low142 Ų142142.9 Ų142.974%0.74379%0.787SS**  trans-87.2102.9-179.7-168.967000110.5F324L322-F324 HydrophobicContact CD2-CD2 3.98Å; L322-F324 HydrophobicContact CD2-CE2 3.71Å; L322-F324 HydrophobicContact CG-CD2 4.18Å; L322-F324 HydrophobicContact CG-CE2 4.28Å
323S27.9Very low28.1Very low111 Ų111145.6 Ų145.678%0.77679%0.787SS**  trans-78.3118.7170.2-174.20000110F321F321-S323 PolarHBondContact O-N 3.34Å
324F28.1Very low28.1Very low181 Ų181143 Ų14379%0.79478%0.778SS**  trans-100.685.5168.6-106.2-72.8000110L322L322-F324 HydrophobicContact CD2-CD2 3.98Å; L322-F324 HydrophobicContact CD2-CE2 3.71Å; L322-F324 HydrophobicContact CG-CD2 4.18Å; L322-F324 HydrophobicContact CG-CE2 4.28Å
325G29.2Very low28.2Very low62 Ų62142.6 Ų142.664%0.63976%0.763SS**  trans-109127.7161.300000109.2
326L29.1Very low28.2Very low151 Ų151133.9 Ų133.979%0.79174%0.735SS**  trans-140.293.8168.9-128.3170000110.3
327T29.5Very low28.2Very low104 Ų104134.1 Ų134.164%0.63872%0.722SS**  trans10.3131.6141.8-30.70000118
328E27.6Very low28Very low183 Ų183134.2 Ų134.286%0.85572%0.715SS**  -141.3155.4115.4-112.7-54.894.600110.5
329A27.4Very low27.7Very low66 Ų66133.9 Ų133.955%0.54570%0.699SS.*  trans-110.1151.9-162.900000113.9
330F24.8Very low27.6Very low215 Ų215134.7 Ų134.794%0.94370%0.696SS**  trans-128.5150.9157.6-119.4-93000112.2
331K24.2Very low28Very low190 Ų190131.2 Ų131.283%0.82669%0.692SS**  trans-119.8114.1-150176.7165.156.7-165.10112
332V26.1Very low27.8Very low142 Ų142129.6 Ų129.686%0.86169%0.685SS**  trans-119.1140.5169.7179.60000108.8
333K26.3Very low27.7Very low173 Ų173132.2 Ų132.275%0.75269%0.69SS**  trans-131.782.1-160.9-172.7-178.4177176.50113.6
334T27.4Very low27.5Very low114 Ų114132 Ų13270%0.69968%0.684SS**  trans-135.185.9173.4-34.50000112.7
335T29.8Very low27.4Very low54 Ų54131.2 Ų131.233%0.33169%0.686SS.*  trans-44.8154.6153.458.40000111.4K554 P555T335-K554 VanDerWaalsContact OG1-CE 3.31Å; T335-K554 WeakPolarHBondContact OG1-CE 3.38Å; T335-K554 WeakPolarHBondContact OG1-CG 3.35Å; T335-K554 PolarHBondContact OG1-NZ 3.41Å; T335-P555 CarbonylContact C-O 2.91Å; T335-P555 WeakPolarHBondContact CB-O 3.46Å; T335-P555 WeakPolarHBondContact O-CD 3.25Å; T335-P555 VanDerWaalsContact O-O 3.14Å; T335-P555 PolarHBondContact OG1-O 3.12Å
336G29.4Very low27.3Very low35 Ų35134.9 Ų134.936%0.36169%0.69SS.*  cis157.3-149.424.300000112.7P555G336-P555 VanDerWaalsContact C-CB 3.46Å; G336-P555 VanDerWaalsContact CA-C 3.4Å; G336-P555 VanDerWaalsContact CA-O 3.31Å; G336-P555 WeakPolarHBondContact CA-O 3.3Å; G336-P555 PolarHBondContact N-O 2.98Å; G336-P555 VanDerWaalsContact O-CB 3.29Å; G336-P555 WeakPolarHBondContact O-CB 3.29Å; G336-P555 WeakPolarHBondContact O-CG 3.34Å
337K28.3Very low27.1Very low120 Ų120132.8 Ų132.852%0.52269%0.688SS.*  trans25140.1178.5-64.1167.3-171.7175.30119.2P555 S556K337-P555 HydrophobicContact CB-CB 3.51Å; K337-P555 HydrophobicContact CD-CB 4.37Å; K337-P555 HydrophobicContact CG-CB 4.16Å; K337-S556 WeakPolarHBondContact CE-O 3.46Å; K337-S556 VanDerWaalsContact CG-C 3.41Å; K337-S556 WeakPolarHBondContact CG-O 3.45Å
338K27.2Very low26.8Very low168 Ų168132.2 Ų132.273%0.7369%0.688SS**  cis-156.3103.83.3-128.2174.5175.8-1630111.6
339E25.3Very low26.6Very low80 Ų80133.2 Ų133.237%0.37469%0.685SS.*  30.3116113.5-145.9175.987.100121.6V558 H559E339-V558 VanDerWaalsContact OE1-O 3.05Å; E339-H559 IonicContact OE1-CE1 3.4Å; E339-H559 PolarHBondContact OE1-CE1 3.22Å; E339-H559 IonicContact OE1-CG 3.77Å; E339-H559 IonicContact OE1-ND1 2.99Å; E339-H559 PolarHBondContact OE1-ND1 3.28Å; E339-H559 IonicContact OE2-CE1 3.53Å; E339-H559 IonicContact OE2-ND1 2.99Å; E339-H559 PolarHBondContact OE2-ND1 3.07Å
340M26.5Very low26.5Very low138 Ų138136 Ų13668%0.6870%0.696SS**  trans64.4168.6135.2-65-61.2-16300121
341P37.1Very low26.6Very low111 Ų111135 Ų13572%0.72169%0.691SS**  cis-134.5178.66.742.1-23.9000119.1
342F25.8Very low27.2Very low181 Ų181131.6 Ų131.679%0.79469%0.688SS**  trans-22.4155160.1-58.9-100.5000118.2
343K24.2Very low27.2Very low198 Ų198128.4 Ų128.486%0.86168%0.684SS**  -178.2162.461.3-169.2171.5177.7-177.60114.5
344T24.6Very low27.3Very low105 Ų105127 Ų12764%0.64469%0.685SS**  trans-48.2142.8174.1-45.60000119.1I346T344-I346 HydrophobicContact CG2-CD1 4.36Å; T344-I346 HydrophobicContact CG2-CG1 4.16Å
345I26.2Very low27.7Very low165 Ų165127.3 Ų127.385%0.84669%0.689SS**  trans-137.2153.3143.3-65.8-172.8000108.8
346I26.3Very low27.7Very low140 Ų140133.1 Ų133.172%0.71871%0.713SS**  trans-134.9150.8-179.7-74.5177.5000110.4T344T344-I346 HydrophobicContact CG2-CD1 4.36Å; T344-I346 HydrophobicContact CG2-CG1 4.16Å
347S24.8Very low27.6Very low107 Ų107137.9 Ų137.975%0.74873%0.73SS**  trans68.8151.5170.9-80.80000116.6
348S23.3Very low27.6Very low91 Ų91138.7 Ų138.764%0.63675%0.745SS**  cis-159.8161.5-4.4350000108.3
349Y23.6Very low27.6Very low204 Ų204136.3 Ų136.380%0.875%0.745SS**  -174.7178.472.9-123.4-87.4000112.7
350T25.6Very low28.1Very low124 Ų124138.5 Ų138.576%0.76177%0.766SS**  trans62.912217154.80000117
351K26.4Very low28.2Very low196 Ų196134.7 Ų134.785%0.85276%0.762SS**  cis71.2136.729.6-171.9177.2178.2-177.10113.4
352P37.1Very low27.7Very low117 Ų117136.4 Ų136.476%0.7677%0.77SS**  cis-127.7-170.6-4.339-22.3000114.9
353G25.5Very low27.8Very low76 Ų76134.2 Ų134.278%0.78477%0.766SS**  126.8106.6123.300000119.5
354N28.8Very low28Very low142 Ų142129.8 Ų129.876%0.75976%0.76SS**  trans-103.8144.2152.9177.630.7000107.5
355P36.9Very low28.2Very low122 Ų122128.3 Ų128.379%0.79277%0.766SS**  -144.6178.6121.238.6-23.7000115.1
356Q28.3Very low28.7Very low176 Ų176126.4 Ų126.482%0.82276%0.764SS**  trans-96.4171-166.7-53.6157.6-86.900114.6
357N27.1Very low28.8Very low134 Ų134127 Ų12772%0.71777%0.768SS**  trans76.2113.9138.4-174.933000120.8
358T28.2Very low28.9Very low137 Ų137129.1 Ų129.184%0.8477%0.77SS**  -144.6135.7126.5-29.80000111.1
359T28.6Very low29.8Very low119 Ų119130.6 Ų130.673%0.7377%0.77SS**  trans-133.3135.8164.8-34.10000108.3
360P35.4Very low30.2Very low126 Ų126126.8 Ų126.882%0.81877%0.77SS**  -144.6172.4108.136.5-21000112.5
361G27.5Very low30.3Very low57 Ų57129.1 Ų129.159%0.58877%0.772SS**  cis154.9136.6-700000112
362V28.1Very low30.3Very low147 Ų147123.1 Ų123.189%0.89177%0.766SS**  trans56.5153.4177.1-63.60000116.8
363N26.5Very low29.8Very low135 Ų135123.2 Ų123.272%0.72277%0.769SS**  cis-158.2153.226.6-164.3-95.3000112.4
364S28.5Very low30.4Very low106 Ų106126.3 Ų126.374%0.74177%0.773SS**  trans37.6144.3157-53.60000124.8
365G28.5Very low30.5Very low74 Ų74124.9 Ų124.976%0.76377%0.771SS**  trans-82.2-136.6175.500000114.9
366P38.3Very low29.9Very low124 Ų124124.4 Ų124.481%0.80577%0.771SS**  cis-102165.81.439.9-31.3000112.8
367L26.9Very low30.2Very low152 Ų152122.4 Ų122.480%0.79677%0.771SS**  cis73.994.646.4-128.3-178.2000114.1
368L28.7Very low30.3Very low152 Ų152121.9 Ų121.980%0.79678%0.775SS**  171.6140.7118.9-91.9171.1000114.7
369I41.1Very low30.5Very low123 Ų123119.3 Ų119.363%0.63177%0.768SS**  trans-101.7139.2158.6-63.9162.5000107
370P32.9Very low30.8Very low124 Ų124119.3 Ų119.381%0.80577%0.77SS**  trans-100.5139.7152.9-10.129.2000111.5
371H27.9Very low30.7Very low173 Ų173119.7 Ų119.780%0.80177%0.772SS**  trans-104.9162.5178.1-58.5-102.7000111.1
372G25.7Very low30.8Very low70 Ų70125.7 Ų125.772%0.72279%0.785SS**  trans111.3146.6165.100000113.9
373S27.2Very low30.8Very low118 Ų118123.3 Ų123.383%0.82578%0.781SS**  cis-151.9147.78.8-66.10000111.7
374T37.8Very low30.9Very low141 Ų141121.7 Ų121.787%0.86578%0.78SS**  trans-75.9142.9155.940.70000109.7
375P29.8Very low31.4Very low112 Ų112122.3 Ų122.373%0.72778%0.782SS**  trans-143.5163.3130.937.6-24.3000115.1
376S25.8Very low31.5Very low113 Ų113124.7 Ų124.779%0.7979%0.786SS**  trans66.1102.4151-59.80000121.4
377T33.9Very low31.3Very low133 Ų133127.5 Ų127.582%0.81679%0.789SS**  trans-27.3135.3141.9-460000116.2
378P29.1Very low31.7Very low123 Ų123125.9 Ų125.980%0.79979%0.787SS**PPolyproline II helixtrans-87.6129.9155.1-7.225.9000111.6
379A31.8Very low32.2Very low84 Ų84124 Ų12469%0.69479%0.785SS**PPolyproline II helixtrans-81.8159.3165.300000110.6
380P35.8Very low32.1Very low118 Ų118123.6 Ų123.677%0.76679%0.789SS**PPolyproline II helixtrans-71.8142179.529.8-35.2000111.9Q382P380-Q382 PolarHBondContact O-N 3.2Å
381P32.5Very low32.2Very low134 Ų134123.6 Ų123.687%0.8779%0.79SS**  trans-73.5115.2173.129.5-32.8000110.6
382Q31.2Very low32.5Very low183 Ų183122 Ų12286%0.85579%0.792SS**  trans-95.5121.7169.3179-178.7-37.700109.6P380P380-Q382 PolarHBondContact O-N 3.2Å
383A27.9Very low33.2Very low98 Ų98124 Ų12481%0.8179%0.79SS**  trans-142.3132.6166.300000110.1
384S28.2Very low33.5Very low101 Ų101124.5 Ų124.571%0.70679%0.791SS**  trans-141.1175.1176.7-47.80000107.1
385P39.5Very low33.3Very low119 Ų119125.1 Ų125.177%0.77379%0.787SS**  cis-128.6142.6-8.136-19.7000113.9
386S28.9Very low33.5Very low123 Ų123124.9 Ų124.986%0.8678%0.784SS**  trans-137.9105.2168.2-64.90000112.1
387Q34.7Very low33.9Very low184 Ų184124.1 Ų124.186%0.8678%0.776SS**  trans15.1117.9155.1-167.2169.1-5.700119.1
388P35.7Very low33.8Very low117 Ų117123.4 Ų123.476%0.7677%0.772SS**PPolyproline II helixtrans-74.9144.7175.831.5-34.7000112.6
389P38.8Very low34.3Very low114 Ų114124 Ų12474%0.7476%0.762SS**PPolyproline II helixtrans-71.1156.9166.231.4-34.4000111.4
390P38.7Very low34.4Very low113 Ų113125.8 Ų125.873%0.73477%0.766SS**PPolyproline II helixtrans-71.2149.7-172.928.9-35.8000113.3T392P390-T392 PolarHBondContact O-N 3.04Å
391P35.1Very low34.2Very low125 Ų125123.6 Ų123.681%0.81277%0.766SS**PPolyproline II helixtrans-73.6120.1175.929.8-33.5000111.3T393P391-T393 PolarHBondContact O-N 3.12Å
392T33.9Very low34Very low139 Ų139126.2 Ų126.285%0.85377%0.768SS**PPolyproline II helixtrans-68.3123.5178.1-33.10000111.3P390P390-T392 PolarHBondContact O-N 3.04Å
393T41.8Very low34Very low111 Ų111123.6 Ų123.668%0.68177%0.765SS**PPolyproline II helixtrans-70.9145.9174.646.50000111.7P391 I395P391-T393 PolarHBondContact O-N 3.12Å; T393-I395 PolarHBondContact O-N 3.28Å
394P32.9Very low34.5Very low129 Ų129123.2 Ų123.284%0.83875%0.754SS**PPolyproline II helixtrans-69.8118.3173.228.5-33.1000110.3
395I33Very low34.6Very low154 Ų154124.4 Ų124.479%0.7976%0.762SS**PPolyproline II helixtrans-77.8125-179.1-63.9172.3000110.1T393T393-I395 PolarHBondContact O-N 3.28Å
396T34.8Very low34.2Very low108 Ų108126.1 Ų126.166%0.66376%0.76SS**PPolyproline II helixtrans-79.7141.116741.90000110.8V398T396-V398 PolarHBondContact O-N 3.01Å
397P34.3Very low34.3Very low96 Ų96126.7 Ų126.762%0.62375%0.753SS**  trans-74.511317829.4-33.2000111.1A747P397-A747 HydrophobicContact CG-CB 4.17Å
398V31.8Very low34Very low119 Ų119125 Ų12572%0.72175%0.749SS**  trans-92.8135.9173.1176.50000110.1T396T396-V398 PolarHBondContact O-N 3.01Å
399F38.4Very low33.7Very low135 Ų135126.8 Ų126.859%0.59275%0.752SS**  trans-107.8112.9168.7-87.7-90000111.2G746 A747F399-G746 VanDerWaalsContact CE2-O 3.24Å; F399-G746 WeakPolarHBondContact CE2-O 3.31Å; F399-G746 WeakPolarHBondContact CZ-O 3.33Å; F399-A747 HydrophobicContact CE2-CB 3.89Å
400P35.7Very low33.3Very low121 Ų121125.7 Ų125.779%0.78675%0.753SS**  trans-100.3153.415819.8-2.5000110.6
401G30.4Very low33.2Very low73 Ų73126.1 Ų126.175%0.75376%0.756SS**  cis-153-173.9-6.800000108.1
402M29.4Very low33.1Very low188 Ų188125.7 Ų125.793%0.92676%0.755SS**  cis-15617241-85.8167.450.300112.9
403V29.9Very low33.2Very low129 Ų129125 Ų12578%0.78275%0.753SS**  trans-105.9-173.4179-115.10000110.1
404P38.4Very low32.8Very low89 Ų89125.1 Ų125.158%0.57876%0.759SS**  cis-130.8-177.3-23.832.1-12.8000113.1
405S31.4Very low33.3Very low127 Ų127124.6 Ų124.689%0.88876%0.755SS**  trans-152.5153.3148.8-82.60000110.3
406H31Very low33.1Very low155 Ų155121.7 Ų121.772%0.71875%0.754SS**  trans-118.2155.9-158.1-71.4-104.1000115
407N29.7Very low33.2Very low135 Ų135122.1 Ų122.172%0.72276%0.759SS**  trans83116.3142.9-83.2-10000122.7
408L29.4Very low33.1Very low147 Ų147122.9 Ų122.977%0.7777%0.767SS**  101136.1123.3-72.5169000122.1
409N28Very low33.3Very low156 Ų156123.2 Ų123.283%0.83477%0.771SS**  trans75.9145.8160.2-76.913.1000122
410A31.5Very low33.1Very low91 Ų91122.2 Ų122.275%0.75278%0.781SS**  trans-117.7-167.9178.600000108.2
411P37.4Very low32.7Very low122 Ų122122.5 Ų122.579%0.79278%0.78SS**  cis-128.3-175.3-9.135.3-15000114.1
412S33Very low32.8Very low115 Ų115126 Ų12680%0.80478%0.781SS**  trans-59.5153.9172.4-44.80000112.9
413P35.4Very low32.9Very low124 Ų124126.9 Ų126.981%0.80578%0.779SS**  -150.9173.98141.7-23.7000117.5
414S32.1Very low32.9Very low114 Ų114125.9 Ų125.980%0.79778%0.784SS**  trans-104.3176.4159.1-61.40000108.9
415P44.5Very low32.4Very low118 Ų118124.8 Ų124.877%0.76679%0.789SS**  cis-143.6167.110.142.9-24.3000118.8
416A27.8Very low33.8Very low93 Ų93124.2 Ų124.277%0.76978%0.782SS**  trans61.6174.5148.700000119.6
417P38.4Very low33.7Very low117 Ų117125.1 Ų125.176%0.7679%0.787SS**  cis-124.7179.6-24.330.8-10.6000114.8
418S30.6Very low34Very low112 Ų112124.8 Ų124.878%0.78379%0.79SS**  trans14.6148.2146-58.90000122.2
419P36.4Very low34.7Very low126 Ų126123.5 Ų123.582%0.81879%0.79SS**  cis-148.8178.344.542.3-22.1000119
420S33.8Very low34.7Very low114 Ų114121.3 Ų121.380%0.79779%0.787SS**  trans-82.2156.7173.9-36.70000113.8
421V27.7Very low34.7Very low128 Ų128120.3 Ų120.378%0.77679%0.786SS**  trans-158.5136.2163.9118.40000113.5
422I32.7Very low34.3Very low147 Ų147123 Ų12375%0.75479%0.787SS**  trans40.8125149.9-55.7165.5000118.4
423K31.3Very low34.1Very low206 Ų206123.3 Ų123.390%0.89678%0.784SS**  cis75.484.232.1-163.1-172.7174.6179.30116.9
424A30.1Very low33.9Very low107 Ų107123.4 Ų123.488%0.88478%0.783SS**  trans-150.5159.5161.300000114
425G28.4Very low34.6Very low67 Ų67124 Ų12469%0.69178%0.784SS**  trans-172.8-167.9164.800000106.1
426P61.5Low34.1Very low114 Ų114124.5 Ų124.574%0.7479%0.785SS**  cis-116.5-144.3-16.441.8-29.6000110.8
427H28.7Very low35Very low175 Ų175125.5 Ų125.581%0.8178%0.784SS**  trans107.5133.4165.9-65.7-80.3000119.9
428T35.1Very low34.7Very low128 Ų128125.1 Ų125.179%0.78578%0.784SS**  trans-99.3-174.3161.256.40000107.7
429P43.6Very low34.8Very low119 Ų119125.3 Ų125.377%0.77379%0.785SS**  cis-155.6-156.534.246.4-22.2000117.7
430S29.5Very low34.5Very low110 Ų110126.3 Ų126.377%0.76979%0.789SS**  trans81.3126.1167.7-1510000116.3
431G30.3Very low34.5Very low71 Ų71128.6 Ų128.673%0.73279%0.79SS**  cis-157.6-156.8-4.100000108.3
432Q29.3Very low34.5Very low177 Ų177131.3 Ų131.383%0.82779%0.792SS**  cis-172.6158.8-17.3-117.8173.7-104.100105.3
433V29.8Very low34.3Very low122 Ų122128.2 Ų128.274%0.73979%0.788SS**  cis-154.3175.60.9680000108.1
434T30.7Very low34.4Very low127 Ų127126.1 Ų126.178%0.77978%0.781SS**  trans-134.1152.9-179.441.50000113
435P46.7Very low34.6Very low125 Ų125126.9 Ų126.981%0.81278%0.775SS**  -145.6-159107.441.3-25.6000114
436T34.8Very low35.2Very low129 Ų129129.2 Ų129.279%0.79178%0.778SS**  trans-143.2178.1178.254.30000109.7
437P46.1Very low33.7Very low115 Ų115130 Ų13075%0.74779%0.786SS**  -159.5152.398.539.8-19.4000120.1
438S31.1Very low33.8Very low109 Ų109124.9 Ų124.976%0.76278%0.781SS**  trans46.1121.9133.7-52.10000127
439S32.9Very low33.8Very low115 Ų115125.3 Ų125.380%0.80478%0.783SS**  63.9112.8124.6-60.10000125.3
440V30.3Very low33.7Very low148 Ų148125.4 Ų125.490%0.89778%0.784SS**  trans-161.5161.2150.4-109.20000107.9
441I33.8Very low33.7Very low161 Ų161126.6 Ų126.683%0.82679%0.791SS**  cis-132.6170.212.8-56.6173.8000110.9
442K28.1Very low33.7Very low186 Ų186126.6 Ų126.681%0.80979%0.791SS**  trans-45.3161.3170.8-159.7171.8-175.5176.50118.9
443A28.5Very low33.8Very low81 Ų81124.1 Ų124.167%0.66979%0.788SS**  trans-118.9167.7-178.300000114.6
444H33.1Very low34.1Very low163 Ų163124.6 Ų124.676%0.75579%0.794SS**  trans-162.7101.6151.7-83.3-57000109.6
445T33.4Very low34.2Very low123 Ų123124.4 Ų124.476%0.75579%0.792SS**  100.111990.1-57.90000112.7
446P41.7Very low34.5Very low116 Ų116124 Ų12475%0.75379%0.79SS**  trans-114.3168.2-178.241.3-33.6000115.3
447S29.7Very low34Very low129 Ų129123.4 Ų123.490%0.90279%0.791SS**  trans67.4148.1157.5-158.10000118.8
448G32.2Very low33.2Very low69 Ų69125.7 Ų125.771%0.71180%0.796SS**  trans164.968.9175.900000116.4
449T35.3Very low33.1Very low136 Ų136124.3 Ų124.383%0.83480%0.799SS**  trans-74.4142.3162.3-350000109.9
450P40.3Very low32.9Very low122 Ų122121.5 Ų121.579%0.79279%0.789SS**  trans-132.5162.2132.135.6-25.7000113.5
451C29.6Very low32.8Very low135 Ų135124.3 Ų124.391%0.91279%0.789SS**  trans-85.8150177.8-1710000111.2
452G30.6Very low32.6Very low71 Ų71121.8 Ų121.873%0.73279%0.786SS**  trans163.586.6171.300000115.7
453T31.7Very low32.6Very low125 Ų125119 Ų11977%0.76779%0.79SS**  trans-80141.3154.927.10000109.3
454P34.7Very low32.9Very low132 Ų132119.9 Ų119.986%0.85779%0.791SS**  -137.7-169.888.137.1-21.6000115
455V32.7Very low33.6Very low122 Ų122117.7 Ų117.774%0.73979%0.791SS**  trans-136.9158.9-161174.80000107.7
456P53Low33.8Very low118 Ų118120.1 Ų120.177%0.76679%0.792SS**  cis-124-170.7-31.839-23.4000111.9
457S26.2Very low33.5Very low116 Ų116122.1 Ų122.181%0.81179%0.791SS**  trans-169.5172.2131.5-154.50000113.8
458N28.3Very low33.5Very low162 Ų162119.3 Ų119.387%0.86678%0.782SS**  trans-79.2159.9-168-56.6-25.8000116
459G28.9Very low33.6Very low80 Ų80123.2 Ų123.283%0.82579%0.786SS**  136.310812500000120.5
460G28.2Very low33.4Very low57 Ų57121.8 Ų121.859%0.58878%0.781SS**  105.4109.4122.600000122.3
461F29Very low33.2Very low207 Ų207127.1 Ų127.191%0.90879%0.786SS**  trans72.290.7132.2-46.6-62.5000122.9
462S29.2Very low34Very low108 Ų108126.4 Ų126.476%0.75578%0.78SS**  42.6137.4105.6-164.60000122.3
463S29.2Very low34Very low126 Ų126126.6 Ų126.688%0.88178%0.781SS**  trans-154.7140.2136.4-82.60000112
464S33.6Very low34.1Very low101 Ų101127.2 Ų127.271%0.70679%0.785SS**  trans-166.5140.3176.7-178.40000111.7
465P48.2Very low34.2Very low116 Ų116126.8 Ų126.875%0.75378%0.782SS**  trans-125.1157168.838.9-27.9000113.3
466F36.7Very low34.1Very low174 Ų174125.7 Ų125.776%0.76379%0.786SS**  cis176153.7-20.4-112.4-65.6000104
467H35.4Very low33Very low159 Ų159124.4 Ų124.474%0.73679%0.785SS**  cis-120.5-145.70-48.5-97.6000109.4
468G29.8Very low33.2Very low70 Ų70124.8 Ų124.872%0.72279%0.788SS**  cis165.1176.6300000109.2
469L35.8Very low33.4Very low151 Ų151129 Ų12979%0.79179%0.792SS**  cis-167.6152.1-14.9-123.7175.9000109.3
470S30.6Very low33.4Very low105 Ų105131.1 Ų131.173%0.73479%0.794SS**  trans65.9140.7172.3-630000118.6
471R35.4Very low33.3Very low234 Ų234131.8 Ų131.888%0.88380%0.801SS**  cis-155.3168.9-10.6-114.4-158.6170.9-149-2.4111.1
472P46.1Very low33.3Very low121 Ų121130.7 Ų130.779%0.78680%0.798SS**  trans-102.2-169.4-168.144.7-40.4000113.2
473G30.5Very low33.1Very low74 Ų74131.2 Ų131.276%0.76379%0.793SS**  cis167.6-172.2-0.300000113.5
474T33.9Very low33Very low139 Ų139129.5 Ų129.585%0.85378%0.781SS**  trans-94.7154.5-175.5-21.80000114
475P37.9Very low32.6Very low122 Ų122133 Ų13379%0.79279%0.786SS**  trans-88169.1157.934.5-33.8000113.1
476A30.8Very low31.6Very low99 Ų99131.9 Ų131.982%0.81878%0.781SS**  trans-148.6-158.8-165.800000114.1
477A29.1Very low31.2Very low92 Ų92132.5 Ų132.576%0.7679%0.786SS**  trans81.1151179.200000115.9
478S29.7Very low30.8Very low124 Ų124130.2 Ų130.287%0.86779%0.788SS**  cis-160.1-176.2-15-107.90000110.9
479R33.2Very low30.7Very low251 Ų251133.9 Ų133.995%0.94779%0.791SS**  trans-114.1123.7-164.3-176-177.5-179.4-1433.1114.6
480S28.2Very low30.4Very low123 Ų123131.9 Ų131.986%0.8679%0.79SS**  trans-156.7172.7-179.555.70000111.1
481G27.5Very low30.3Very low71 Ų71135.5 Ų135.573%0.73280%0.797SS**  cis16860.4-10.200000117
482Q28.3Very low29.9Very low185 Ų185127.6 Ų127.686%0.86479%0.789SS**  trans67.6164168.6-105.1-178.1-95.800120.1
483D24.6Very low29.2Very low118 Ų118127.5 Ų127.563%0.63179%0.791SS**  trans54117.2155.2-82.6-92.8000126.2
484S27.5Very low29.2Very low91 Ų91127.9 Ų127.964%0.63679%0.787SS**  62.4120.1112.4-54.60000124.4
485Q25.4Very low29.1Very low175 Ų175129.3 Ų129.382%0.81878%0.784SS**  trans62.4100.7132.9-76.3-174.2-110.300123.4
486S26.5Very low28.7Very low91 Ų91129.5 Ų129.564%0.63677%0.774SS**  79.5161.6114.476.70000122.6
487Q30Very low28.5Very low187 Ų187134.6 Ų134.687%0.87477%0.772SS**  trans71.1149.9176.3-48.5-171.62.500114.7
488S26.9Very low28.3Very low111 Ų111134.1 Ų134.178%0.77677%0.768SS**  cis-146.6-179.35.8-164.70000111.8
489N27.4Very low28.1Very low147 Ų147138.8 Ų138.879%0.78677%0.768SS**  trans-98.1169.2173.5-68.4-68.5000112.5
490S28.9Very low27.7Very low110 Ų110131.1 Ų131.177%0.76975%0.753SS**  trans73.4157.5156-70.90000117.2
491M27.4Very low27.7Very low180 Ų180134.1 Ų134.189%0.88775%0.754SS**  cis-152.4152.77.5-141.6-178.4-58.200113.8
492G28.1Very low27.6Very low69 Ų69134.7 Ų134.771%0.71175%0.746SS**  trans89.5157.6150.800000118.3
493S30.7Very low27.6Very low119 Ų119131.6 Ų131.683%0.83274%0.741SS**  cis-163.7155.6-14.251.20000113.7
494A31.5Very low27.7Very low81 Ų81132.3 Ų132.367%0.66974%0.744SS**  trans66.4109.7150.300000123.4
495Q31.7Very low27.8Very low169 Ų169134.5 Ų134.579%0.7974%0.744SS**  72.4160.7126.4-63.4-1711300119.4
496Q28.6Very low27.9Very low126 Ų126133.4 Ų133.459%0.58974%0.74SS**  cis-151.5158.99.3-143.1177.18900114.3
497R27.2Very low28Very low207 Ų207134.3 Ų134.378%0.78175%0.746SS**  trans42.6107.6150.7-83.7174180135.5-8.7123.4
498A24.3Very low27.9Very low82 Ų82129 Ų12968%0.67874%0.742SS**  62.8132.694.300000125
499Y25.7Very low29.4Very low221 Ų221129.4 Ų129.487%0.86774%0.741SS**  trans79.7112141.4-71-49000124.7
500S26.2Very low29.3Very low91 Ų91128 Ų12864%0.63674%0.743SS**  97.9135.1115.9-69.80000124.1
501Q26.6Very low29.2Very low185 Ų185131.8 Ų131.886%0.86475%0.746SS**  trans72.3145.7142.8-77.8-177.335.200119.4
502S25.1Very low29.1Very low83 Ų83128.6 Ų128.658%0.5874%0.741SS**  cis178.1172.39167.90000110
503T29.1Very low28.9Very low121 Ų121130.1 Ų130.174%0.74274%0.741SS**  trans68.6106.314733.10000123.4
504D27.8Very low28.8Very low132 Ų132132.7 Ų132.771%0.70674%0.742SS**  83.9142.9104.6-127.8-143.9000124.5
505Q28.7Very low28.6Very low137 Ų137136.7 Ų136.764%0.6475%0.746SS**  trans86.5119150.6-51.1-138.21100125.1
506Q28.2Very low29.6Very low153 Ų153133.5 Ų133.572%0.71574%0.74SS**  74.3126.3123.5-70.6-160.339.800125.2
507S27.4Very low29.7Very low110 Ų110136.4 Ų136.477%0.76975%0.754SS**  62134.6123-51.70000123.3
508G28.9Very low29.7Very low76 Ų76130.6 Ų130.678%0.78476%0.758SS**  trans139.3127.2147.800000117.5
509P57.8Low29.9Very low119 Ų119130.7 Ų130.777%0.77377%0.767SS**  trans-116.1164.5172.840.2-31.4000114
510S25.8Very low30Very low117 Ų117127.7 Ų127.782%0.81877%0.766SS**  trans-171.9162.9144.9-92.10000116.6
511F26.8Very low31.2Very low190 Ų190128.1 Ų128.183%0.83377%0.767SS**  trans-81174.7-164.5-53-100000117.1
512S25.7Very low31.4Very low112 Ų112125.2 Ų125.278%0.78377%0.767SS**  trans122103.2131-66.10000121.7
513S23.1Very low31.7Very low102 Ų102124.7 Ų124.771%0.71377%0.774SS**  82.7147.7114.1-133.60000125.2
514M28.5Very low31.7Very low172 Ų172124.5 Ų124.585%0.84778%0.778SS**  trans81.1169.7156.8-65.1-58.4106.100122.5
515H27.6Very low31.9Very low165 Ų165124 Ų12476%0.76478%0.779SS**  trans-169.6140.1-147.6164.3-97.9000108.6
516P51.8Low32Very low102 Ų102125.2 Ų125.266%0.66279%0.789SS**  -160.2173.984.344.2-23.3000120.4
517Q30.3Very low32Very low188 Ų188129.4 Ų129.488%0.87980%0.798SS**  trans61.5137.3147.1-82.7-172.4-100123.7
518G28.4Very low32Very low84 Ų84128.1 Ų128.187%0.86679%0.789SS**  trans131.6118.8137.200000118
519G28.1Very low32Very low84 Ų84134.3 Ų134.387%0.86679%0.79SS**  trans116.9149.2158.400000118.4
520N28.6Very low30.7Very low159 Ų159134.9 Ų134.985%0.8579%0.791SS**  trans-153.2169.5179.8-138.7-8.1000106.4
521P51.4Low30.6Very low100 Ų100135.2 Ų135.265%0.64979%0.794SS**  cis-139-168.7-4.442.3-22.9000115.8
522S31.2Very low30.9Very low123 Ų123131.9 Ų131.986%0.8679%0.794SS**  trans79.3130.2152.1-62.70000121.9
523G31Very low31.8Very low72 Ų72132 Ų13274%0.74279%0.792SS**  trans143.588.6147.800000120.5
524S29Very low32.2Very low117 Ų117135 Ų13582%0.81880%0.8SS**  trans65.5122.9137.9-64.30000125.3
525V31.1Very low32.3Very low121 Ų121133.2 Ų133.273%0.73380%0.798SS**  83.3111.3123.3175.90000122.3
526I31.7Very low33Very low163 Ų163131.5 Ų131.584%0.83680%0.802SS**  trans70.3142.6147.9-67.2171.3000119.9
527R28.8Very low31.9Very low242 Ų242130.2 Ų130.291%0.91381%0.807SS**  trans-151.6135.5-169.1-171.3-175-167.3-177.46112.4
528S26Very low31.8Very low82 Ų82126.7 Ų126.757%0.57380%0.803SS**  trans-146.1155.5169.2-54.20000107.6
529Y29Very low31.9Very low207 Ų207127.2 Ų127.281%0.81279%0.794SS**  cis-146.516518.2-71.3-90.3000112.1
530T31.5Very low32.2Very low130 Ų130129.6 Ų129.680%0.79879%0.791SS**  trans39.5130.7148.355.70000122.6
531S23.7Very low32.9Very low124 Ų124127.3 Ų127.387%0.86779%0.785SS**  trans-159.8145.8154.8-74.30000112.3
532S31.7Very low31.8Very low120 Ų120129.1 Ų129.184%0.83979%0.794SS**  trans-163.1153171.3-71.50000109.4
533P45.3Very low31.9Very low116 Ų116130.7 Ų130.775%0.75379%0.792SS**  cis-125.5-156.5-21.539.7-21.7000111.8
534L31.3Very low32.4Very low165 Ų165133.3 Ų133.386%0.86480%0.795SS**  trans100151.6171.4-57.7171.7000117.9
535T31.7Very low32.4Very low134 Ų134134.9 Ų134.982%0.82280%0.795SS**  trans-158.1169.8-172.351.20000109.2
536P42.5Very low32Very low128 Ų128133.7 Ų133.783%0.83179%0.791SS**  cis-126.1170.3-18.737.6-23000114
537G28.5Very low31.7Very low75 Ų75130.8 Ų130.877%0.77379%0.785SS**  trans139.9124150.200000119.4
538S28Very low31.9Very low114 Ų114126.4 Ų126.480%0.79779%0.785SS**  trans64.5105.9154.4-143.80000122.6
539S30.1Very low32.3Very low96 Ų96128.3 Ų128.367%0.67180%0.795SS**  63.989.8123.1-41.20000122.8
540T34.3Very low32.2Very low133 Ų133122.1 Ų122.182%0.81679%0.794SS**  47.2152123.252.90000123.6
541P42.7Very low32.6Very low111 Ų111121.8 Ų121.872%0.72179%0.794SS**  cis-140.8-175.1-10.932.8-8.7000117.1
542V29.5Very low32.9Very low138 Ų138121.3 Ų121.384%0.83679%0.791SS**  trans79.4143.9164.3-161.60000118.1
543I32Very low33Very low157 Ų157121.4 Ų121.481%0.80579%0.789SS**  trans-150.6135.3-166.2-63.4159.8000113
544P42Very low32.2Very low126 Ų126121.9 Ų121.982%0.81878%0.779SS**  trans-145.7118.7154.834.8-15.4000118.9
545N28.3Very low32.4Very low151 Ų151116.4 Ų116.481%0.80775%0.754SS**  trans44.8137.4137.9-144.529000127.9
546C23.6Very low32.3Very low96 Ų96112.3 Ų112.365%0.64973%0.73SS**  trans71.2119142.9-95.70000127.4
547S26.4Very low32.1Very low102 Ų102109.9 Ų109.971%0.71372%0.715SS**  71.5117.8124.4-61.80000125.1
548T31.8Very low32.1Very low150 Ų150111.2 Ų111.292%0.9271%0.708SS**  trans-177.1168.7131.720.50000112.2
549P34.3Very low32.2Very low121 Ų121112.1 Ų112.179%0.78670%0.699SS**  trans-121.5145.7-159.740.7-30.6000119.7
550G27Very low32.9Very low77 Ų77113.2 Ų113.279%0.79470%0.704SS**  trans66.1-177.7153.900000118.8
551P41Very low32.7Very low123 Ų123110 Ų11080%0.79970%0.697SS**  cis-129178.1-1841.4-26.6000114.5
552S28.9Very low32.1Very low115 Ų115114.3 Ų114.380%0.80471%0.707SS**  trans22.8137.8154.5-59.50000123.1
553P34.7Very low32Very low122 Ų122111.4 Ų111.479%0.79270%0.698SS**  trans-124.5146.2134.436.9-30000114.3
554K28.5Very low31.8Very low125 Ų125113.3 Ų113.354%0.54370%0.703SS.*  trans-151114171.4-179.4-166.8-177.7590110.8T335T335-K554 VanDerWaalsContact OG1-CE 3.31Å; T335-K554 WeakPolarHBondContact OG1-CE 3.38Å; T335-K554 WeakPolarHBondContact OG1-CG 3.35Å; T335-K554 PolarHBondContact OG1-NZ 3.41Å
555P34.4Very low31.1Very low51 Ų51111.5 Ų111.533%0.33170%0.699SS.*  trans-103.4176.6170.17.813.6000112.3T335 G336 K337T335-P555 CarbonylContact C-O 2.91Å; T335-P555 WeakPolarHBondContact CB-O 3.46Å; T335-P555 WeakPolarHBondContact O-CD 3.25Å; T335-P555 VanDerWaalsContact O-O 3.14Å; T335-P555 PolarHBondContact OG1-O 3.12Å; G336-P555 VanDerWaalsContact C-CB 3.46Å; G336-P555 VanDerWaalsContact CA-C 3.4Å; G336-P555 VanDerWaalsContact CA-O 3.31Å; G336-P555 WeakPolarHBondContact CA-O 3.3Å; G336-P555 PolarHBondContact N-O 2.98Å; G336-P555 VanDerWaalsContact O-CB 3.29Å; G336-P555 WeakPolarHBondContact O-CB 3.29Å; G336-P555 WeakPolarHBondContact O-CG 3.34Å; K337-P555 HydrophobicContact CB-CB 3.51Å; K337-P555 HydrophobicContact CD-CB 4.37Å; K337-P555 HydrophobicContact CG-CB 4.16Å
556S30.1Very low31.1Very low47 Ų47114 Ų11433%0.32971%0.706SS.*  trans-158.5107.2-177.7-64.10000114.5K337K337-S556 WeakPolarHBondContact CE-O 3.46Å; K337-S556 VanDerWaalsContact CG-C 3.41Å; K337-S556 WeakPolarHBondContact CG-O 3.45Å
557P39.3Very low31.4Very low78 Ų78113.2 Ų113.251%0.50671%0.714SS.*  trans-69.1154.2-170.8-6.225000112.5
558V28.1Very low31.4Very low103 Ų103116.3 Ų116.362%0.62472%0.721SS**  trans-154.2118.9-176.81770000109.7E339E339-V558 VanDerWaalsContact OE1-O 3.05Å
559H28.9Very low31.3Very low132 Ų132116.1 Ų116.161%0.61172%0.72SS**  trans-89.6149163.5-99.570.4000111.3E339E339-H559 IonicContact OE1-CE1 3.4Å; E339-H559 PolarHBondContact OE1-CE1 3.22Å; E339-H559 IonicContact OE1-CG 3.77Å; E339-H559 IonicContact OE1-ND1 2.99Å; E339-H559 PolarHBondContact OE1-ND1 3.28Å; E339-H559 IonicContact OE2-CE1 3.53Å; E339-H559 IonicContact OE2-ND1 2.99Å; E339-H559 PolarHBondContact OE2-ND1 3.07Å
560P45.6Very low30.9Very low120 Ų120115.2 Ų115.278%0.77972%0.722SS**  trans-84.2175.8172.836.8-36.2000112
561G30Very low30.9Very low64 Ų64114.3 Ų114.366%0.6671%0.713SS**  cis156.3-176.6-2.100000111.5
562Q30.1Very low30.4Very low203 Ų203115 Ų11595%0.94972%0.715SS**  trans74.3141.6-177.4-61.5-172.5-60.900115.8
563A27.6Very low30.5Very low77 Ų77117.1 Ų117.164%0.63672%0.716SS**  cis-159.6158.4-7.300000115.1
564Q27.1Very low30.5Very low196 Ų196116.6 Ų116.692%0.91671%0.707SS**  trans75.9155146.1-80.8169.9-68.800124.4
565A28.2Very low30.5Very low88 Ų88121.8 Ų121.873%0.72772%0.723SS**  trans83.393.6157.100000121.7
566Q27Very low30.8Very low203 Ų203127 Ų12795%0.94974%0.743SS**  20.2138.7125.9-60.5162.4-65.700121.2
567G29.6Very low30.8Very low81 Ų81131 Ų13184%0.83577%0.771SS**  trans160112.9156.800000115.8
568I27.7Very low30.5Very low167 Ų167131.2 Ų131.286%0.85679%0.787SS**  trans-91.6133.9179.5-62.6165.4000110.9
569V29Very low30.7Very low146 Ų146129.9 Ų129.989%0.88579%0.794SS**  trans-173.3168.2131.3-94.30000113.3
570A26.5Very low30.8Very low102 Ų102129.5 Ų129.584%0.84381%0.807SS**  trans-62.6173.3-179.900000115.2
571G27.1Very low30.1Very low58 Ų58130.9 Ų130.960%0.59881%0.807SS**  cis133.2159.1-0.500000113.1
572T29.2Very low30.2Very low138 Ų138132.9 Ų132.985%0.84781%0.811SS**  trans72.8153.8178.6790000116.7
573L32.4Very low30Very low158 Ų158126.8 Ų126.883%0.82780%0.803SS**  cis-148.3174.3-10.4-147.183.6000112.6
574N33.4Very low30Very low111 Ų111129.1 Ų129.159%0.59482%0.815SS**  trans-95.5152.9176.5160.937000113.1
575R28.9Very low30Very low235 Ų235125.3 Ų125.389%0.88781%0.809SS**  trans-165.6165.7141.1-111.6169.9-169.8-93.30.3115.5
576H40.1Very low30.2Very low160 Ų160126.1 Ų126.174%0.74181%0.81SS**  trans-129.2179.2-174.5-75.1-98.4000113.1
577S31.2Very low30.9Very low132 Ų132122.3 Ų122.392%0.92380%0.803SS**  trans98.5148.4170.7-55.80000116.7
578G32.4Very low30.8Very low81 Ų81124.6 Ų124.684%0.83580%0.8SS**  cis163.1143.5-10.800000114.7
579G31.8Very low31.9Very low76 Ų76122.3 Ų122.378%0.78480%0.796SS**  trans77.8175.8176.900000116
580S32.8Very low31.9Very low124 Ų124121.3 Ų121.387%0.86780%0.796SS**  cis178.5161.3-16.4-85.70000108.5
581N30.3Very low31.9Very low149 Ų149120.4 Ų120.480%0.79779%0.788SS**  cis-169.4177.1-23.3-171.421.3000109.9
582S30.9Very low32Very low105 Ų105127.4 Ų127.473%0.73480%0.802SS**  trans81.7119.1156.8-56.70000123.6
583G26Very low32.1Very low75 Ų75130.3 Ų130.377%0.77380%0.803SS**  94118102.300000123.9
584S28.8Very low32.1Very low127 Ų127126.7 Ų126.789%0.88880%0.804SS**  trans61.3163.7152.4-78.90000119.7
585S26.8Very low32Very low115 Ų115127.9 Ų127.980%0.80482%0.816SS**  cis-157.9172.6-13.142.10000110.2
586S31.3Very low32Very low105 Ų105122 Ų12273%0.73481%0.81SS**  trans-99.9154.4172-158.50000110.8
587P42.7Very low31.6Very low124 Ų124126 Ų12681%0.80582%0.819SS**  -147.4174.486.639.8-22000116.8
588V27.8Very low31.5Very low128 Ų128125.9 Ų125.978%0.77682%0.818SS**  trans-94.4178.9165.7-950000111
589P50.9Low31.4Very low120 Ų120125 Ų12578%0.77981%0.809SS**  cis-129.2-170.1-19.335.4-17.1000112.3
590S27.7Very low31.7Very low125 Ų125128.1 Ų128.187%0.87481%0.813SS**  174173118.4-1600000112.9
591A26.8Very low31.8Very low82 Ų82127.5 Ų127.568%0.67881%0.806SS**  trans-75.2161.2-166.900000116.2
592F30.5Very low31.7Very low205 Ų205126.9 Ų126.990%0.89981%0.808SS**  -157.8169.3107.4-126.2-101.4000113.3
593K31.2Very low31.7Very low199 Ų199127.9 Ų127.987%0.86581%0.81SS**  trans-78.4148.5178.8-61.8173.3179.6174.10111.6
594G31.5Very low31.7Very low82 Ų82129.7 Ų129.785%0.84581%0.81SS**  trans-170.794.7170.100000114.5
595T31.2Very low32.6Very low137 Ų137128.9 Ų128.984%0.8480%0.802SS**  trans-98.6123.8173.847.30000111.7
596S28.4Very low32.7Very low111 Ų111131.8 Ų131.878%0.77681%0.807SS**  trans-179.2126.8134.5-87.20000115.7
597R32.8Very low32.8Very low244 Ų244131.5 Ų131.592%0.92181%0.811SS**  29.4151.9127.2-67.4-177.8164-139.4-4.2122.6
598S27.9Very low32.1Very low130 Ų130130.2 Ų130.291%0.90981%0.811SS**  trans90.3136.2160.1-145.90000115.8
599G31.5Very low32.4Very low63 Ų63132 Ų13265%0.64982%0.816SS**  cis-174.7162.5-4.300000113.8
600T38.6Very low31.7Very low140 Ų140130 Ų13086%0.85981%0.809SS**  trans-92.5132.9174.750.40000111.5
601P34.7Very low31.8Very low112 Ų112135.4 Ų135.473%0.72781%0.81SS**  -130.5138.6126418.6000111.5
602T27Very low32.2Very low136 Ų136136.1 Ų136.183%0.83481%0.81SS**  91149.572.1-56.20000112.3
603V31.5Very low32.3Very low126 Ų126134.6 Ų134.676%0.76481%0.811SS**  trans-120.7156.1-167.5-69.10000113.2
604S27.1Very low32.2Very low112 Ų112128.1 Ų128.178%0.78380%0.801SS**  trans71.6162.5162.6-63.10000117.7
605P47.6Very low32.2Very low111 Ų111132 Ų13272%0.72180%0.801SS**  cis-137.9-178.8-26.133.5-13.5000115.7
606L27.6Very low32Very low175 Ų175131.6 Ų131.692%0.91680%0.799SS**  trans72.3172.1156-80.3157.2000119.4
607A34.7Very low32.1Very low99 Ų99135.1 Ų135.182%0.81880%0.803SS**  trans-142159.9-140.800000117.7
608A28.1Very low32.6Very low97 Ų97129.5 Ų129.580%0.80280%0.798SS**  trans-165.5161.7179.500000111.9
609L33Very low32.5Very low166 Ų166129.1 Ų129.187%0.86980%0.795SS**  cis-167.6138.8-30.8-167.566.9000111.8
610A36.4Very low32.3Very low78 Ų78129.4 Ų129.465%0.64580%0.798SS**  trans58.3144.6152.400000126.1
611R29.5Very low32Very low238 Ų238128.4 Ų128.490%0.89880%0.797SS**  -147.6116.2127.2-97176.2164.677.9-3.9105.9
612S34.7Very low32.4Very low97 Ų97128.8 Ų128.868%0.67880%0.799SS**  77.1129.464.7-600000113.1
613L33.7Very low32.4Very low173 Ų173130.6 Ų130.691%0.90680%0.799SS**  cis-157.9170.7-9.4-94.4172.9000107
614G28.9Very low32Very low64 Ų64130.3 Ų130.366%0.6680%0.797SS**  cis139.2113.7-3.800000112.9
615L30.9Very low31.9Very low162 Ų162129.9 Ų129.985%0.84879%0.794SS**  trans-149.5135.6179.7-106.5169.5000113.5
616T26.7Very low31.2Very low129 Ų129131.6 Ų131.679%0.79180%0.796SS**  trans52.2119.2161.247.20000122.1
617H30.7Very low31.7Very low186 Ų186129.1 Ų129.186%0.86179%0.791SS**  trans-88.1165154.7-56.6-95000109.9
618P43.1Very low31.7Very low126 Ų126130 Ų13082%0.81879%0.785SS**  -125.8-173.961.38.317.4000111.8
619S27.6Very low32.5Very low121 Ų121130.7 Ų130.785%0.84678%0.782SS**  cis160149.1-19.1-178.20000105.9
620G27.1Very low32.5Very low70 Ų70129.8 Ų129.872%0.72278%0.783SS**  trans93127.6155.300000119.6
621S32.2Very low32.2Very low119 Ų119129.7 Ų129.783%0.83278%0.782SS**  trans-77151.3131.3-56.70000107.8
622P42.8Very low32.4Very low119 Ų119126 Ų12677%0.77378%0.779SS**  -153.5171.382.641-22.2000117.2
623Q26.1Very low32.1Very low175 Ų175128 Ų12882%0.81879%0.787SS**  trans39.8132.9143.6-71.2-138.5-16.500124.5
624V23.6Very low31.9Very low120 Ų120123 Ų12373%0.72778%0.777SS**  trans86.7145.5131.9164.50000120.9
625S24.4Very low32.1Very low103 Ų103127.6 Ų127.672%0.7279%0.786SS**  trans79.7107.9166-71.40000121.6
626L33.8Very low32.2Very low147 Ų147128.1 Ų128.177%0.7778%0.784SS**  11.1140.5114.6-82.6157.2000117.9
627P37Very low32.3Very low123 Ų123126 Ų12680%0.79978%0.78SS**  -142.6166.870.740.1-24.6000117.7
628T34.5Very low32.1Very low116 Ų116125.9 Ų125.971%0.71278%0.782SS**  trans-86.9171.5163.349.10000111.5
629P46.8Very low31.3Very low113 Ų113125.8 Ų125.873%0.73478%0.784SS**  -147.1152.112132.9-16000116.6
630V33Very low31.4Very low147 Ų147124.3 Ų124.389%0.89178%0.779SS**  trans65.5133.8155.2169.80000118.1
631A30.1Very low31.4Very low76 Ų76126.3 Ų126.363%0.62878%0.782SS**  cis-161166.6-20.500000107.5
632I32.1Very low32.2Very low159 Ų159126 Ų12682%0.81578%0.778SS**  cis69128.318.649.6163.9000117.9
633T28.2Very low31.4Very low140 Ų140125.2 Ų125.286%0.85978%0.781SS**  cis-153.3158.33.2-25.80000112.5
634G30.7Very low31.6Very low68 Ų68121.3 Ų121.370%0.70178%0.778SS**  trans115.2146.7159.400000115.8
635L33.1Very low31.9Very low161 Ų161121.5 Ų121.584%0.84378%0.78SS**  cis-150.6158.4-2.1-94.6172.9000111.8
636Q33Very low32.2Very low173 Ų173125.1 Ų125.181%0.80879%0.785SS**  trans59111151.7-74.7177.9-12.600123
637A28.1Very low32.1Very low85 Ų85128.9 Ų128.970%0.70279%0.791SS**  78.4102.111400000122.6
638M27.5Very low32.5Very low182 Ų182128.9 Ų128.990%0.89779%0.791SS**  58.3138.1120.5-59.8-170.177.200123.2
639S26.1Very low32.3Very low124 Ų124126.8 Ų126.887%0.86779%0.793SS**  trans101.5169.8139.4-143.50000118.7
640A28.1Very low31.7Very low90 Ų90129.7 Ų129.774%0.74480%0.801SS**  trans-100.4-175.1-151.800000115.1
641S28.2Very low31.8Very low113 Ų113128.4 Ų128.479%0.7980%0.799SS**  trans-17.6161.5150.1-99.10000118.5
642P49.1Very low32.3Very low113 Ų113130.2 Ų130.273%0.73480%0.804SS**  cis-141.7-161.57.338.3-16.9000115
643A25.5Very low32.3Very low102 Ų102132 Ų13284%0.84381%0.806SS**  trans77.8171.9153.300000118.1
644A30.3Very low33Very low92 Ų92131.1 Ų131.176%0.7680%0.803SS**  trans-145.2150.8-160.400000113
645T29.1Very low32.8Very low125 Ų125131.9 Ų131.977%0.76780%0.802SS**  trans-159.6138.5156.611.70000113.8
646H32.8Very low32.8Very low179 Ų179132.1 Ų132.183%0.82980%0.803SS**  trans68.9154.7154.9-67.4-64.1000123.8
647Y30.2Very low32.5Very low226 Ų226129 Ų12989%0.88680%0.801SS**  trans-93.5-177.7-171.2-95.3-110.5000112
648P46.7Very low32.6Very low122 Ų122130 Ų13079%0.79280%0.803SS**  cis-128.8173.61.638.4-22000115.8
649G29.3Very low32.7Very low73 Ų73126.5 Ų126.575%0.75380%0.796SS**  trans179.950.7176.500000119.6
650L33.5Very low33Very low174 Ų174127.9 Ų127.991%0.91179%0.793SS**  trans14.4110.2162.3-60174.9000120.8
651S35.4Very low33.9Very low120 Ų120128.5 Ų128.584%0.83979%0.79SS**  179.5154.5121.340.10000112.2
652P40.6Very low33.9Very low114 Ų114128.3 Ų128.374%0.7479%0.788SS**  trans-109.5138.4-156.938-31.3000117.5
653F32.5Very low33.1Very low195 Ų195127.4 Ų127.486%0.85579%0.79SS**  trans28.5147.1136.3-66.2-79.5000122.5
654P43Very low33.3Very low123 Ų123129 Ų12980%0.79979%0.79SS**  -131.4152.4100.938.1-32.8000117
655A26.5Very low33.5Very low83 Ų83132.1 Ų132.169%0.68679%0.792SS**  trans88.1151.714600000122.9
656L33Very low34.1Very low166 Ų166130.9 Ų130.987%0.86979%0.786SS**  trans88.2102.6158.7-52.4-173.5000121.4
657S27.2Very low34Very low107 Ų107128.3 Ų128.375%0.74878%0.783SS**  trans-160146.7134.4-88.70000108.1
658S29.8Very low34Very low107 Ų107122.2 Ų122.275%0.74877%0.773SS**  cis70.1138.546.2103.40000112.3
659S29.5Very low33.4Very low108 Ų108122.9 Ų122.976%0.75578%0.775SS**  cis-154175.90.1-162.50000112.5
660L32.4Very low34Very low153 Ų153125.3 Ų125.380%0.80178%0.777SS**  trans-45.4174.8165.6-75.2150.7000116.3
661P47.6Very low33.7Very low104 Ų104123.6 Ų123.668%0.67578%0.775SS**  cis-144.3-170.8-19.334.6-12.2000116.7
662S27.5Very low33.9Very low109 Ų109124 Ų12476%0.76277%0.772SS**  trans97.3107.3137.5-720000123.8
663A31.9Very low33.8Very low94 Ų94124 Ų12478%0.77777%0.772SS**  67.7123.5125.700000123.3
664T30.1Very low34.4Very low135 Ų135120.4 Ų120.483%0.82877%0.768SS**  -173.9153.2116.3-74.30000110.5
665I35.5Very low33.7Very low157 Ų157119.2 Ų119.281%0.80576%0.762SS**  trans-134.2150.9170.9-29.9175.8000107.9
666P41.8Very low33.9Very low99 Ų99120.5 Ų120.564%0.64376%0.762SS**  -154.6154.5113.338.4-21.1000117.4
667T29.3Very low33.7Very low125 Ų125120.5 Ų120.577%0.76776%0.763SS**  trans61153.9145.654.10000120.8
668S31.1Very low33.9Very low98 Ų98123.4 Ų123.469%0.68576%0.764SS**  cis-169.7171.5-12.6-97.70000112.3
669V33.4Very low35.3Very low136 Ų136123.6 Ų123.682%0.82476%0.763SS**  trans62.1140.1165.9-51.70000122.1
670P41.8Very low36.3Very low124 Ų124123.8 Ų123.881%0.80576%0.762SS**  trans-115.9160.6167.740.6-31.2000114.7
671T28Very low36.3Very low139 Ų139121.7 Ų121.785%0.85376%0.76SS**  trans-142152.8173.4-60.90000111.5
672V38.8Very low35.7Very low129 Ų129121.5 Ų121.578%0.78276%0.761SS**  trans-106.1143.9-171.7-176.30000112
673P39.8Very low35.9Very low114 Ų114122 Ų12274%0.7476%0.759SS**  trans-95.1148.4-175.535.3-35.8000116.9
674P44.8Very low35.7Very low118 Ų118126.5 Ų126.577%0.76676%0.757SS**  trans-91.9171.8157.237.1-32.2000112
675S28.1Very low35.8Very low98 Ų98127.2 Ų127.269%0.68575%0.751SS**  cis-165.7145.7-12.745.30000112.1
676T31.1Very low35.5Very low111 Ų111122.9 Ų122.968%0.68175%0.745SS**  32.5129.7125.3-33.90000121.1
677N28.5Very low35Very low165 Ų165126.6 Ų126.688%0.88276%0.759SS**  trans-166.2162.3135.2-99.8-26.5000113.8
678H30.4Very low35Very low168 Ų168125 Ų12578%0.77876%0.758SS**  trans-141.3-165.6-168.7-84.6-84.4000109.8
679P60.5Low35.7Very low111 Ų111126.8 Ų126.872%0.72177%0.767SS**  -113.7-137.6-55.836.7-18.4000109.3
680P50.7Low35.4Very low113 Ų113124 Ų12473%0.73477%0.766SS**  cis-104.9159.725.65.719.8000114
681S32.6Very low34.8Very low108 Ų108123.2 Ų123.276%0.75577%0.77SS**  75.6138.754.71100000114
682S33.6Very low34.8Very low100 Ų100121 Ų12170%0.69977%0.766SS**  cis-155-163.4-4.3-145.70000108.5
683V31.9Very low34.8Very low121 Ų121120.7 Ų120.773%0.73377%0.767SS**  cis-155.8149.212.9-127.50000112
684Y28.8Very low34.2Very low188 Ų188120.8 Ų120.874%0.73777%0.77SS**  trans39.6152.2136.4-84.7-144.2000125.2
685Q31.4Very low33.5Very low149 Ų149119.9 Ų119.970%0.69677%0.773SS**  cis-174.9151.7-19.1169.3171.47600113
686G28.8Very low33.6Very low66 Ų66120.4 Ų120.468%0.6878%0.783SS**  trans109.5143.4151.100000115.9
687L32.2Very low33.6Very low178 Ų178119.7 Ų119.793%0.93278%0.783SS**  cis-148.7166.4-7.7-92.2170.3000108.8
688A29.2Very low34.1Very low90 Ų90117.4 Ų117.474%0.74478%0.777SS**  trans-115.2155.4169.300000109.6
689P44.8Very low34.2Very low136 Ų136118.5 Ų118.588%0.88378%0.78SS**  -134.2-176.773.639-25.2000113.4
690G28.5Very low32.7Very low78 Ų78117.9 Ų117.980%0.80478%0.784SS**  trans-145.9170-177.900000115.3
691A27.7Very low31.8Very low107 Ų107120.5 Ų120.588%0.88479%0.791SS**  trans-155.1154.316800000109.3
692A29.1Very low31.7Very low94 Ų94118.6 Ų118.678%0.77779%0.788SS**  trans-106.4160.4172.200000109.5
693P39.2Very low31.5Very low121 Ų121122.2 Ų122.279%0.78680%0.799SS**  -147.9168.575.439-20.4000117.2
694S27.2Very low31.4Very low117 Ų117122.9 Ų122.982%0.81880%0.803SS**  trans17.6123.9149.8-53.70000121.4
695A29.3Very low31.5Very low99 Ų99118.7 Ų118.782%0.81880%0.801SS**  175.3164101.200000114.4
696A30.6Very low31.7Very low108 Ų108115.4 Ų115.489%0.89380%0.799SS**  trans71154.1162.700000119.4
697S31.4Very low32.1Very low97 Ų97118.4 Ų118.468%0.67881%0.807SS**  trans-122.8140.3-170.8171.80000111.5
698P37.8Very low32Very low117 Ų117115.3 Ų115.376%0.7680%0.8SS**  trans-109.1100.5170.435.7-25.1000112.2
699F31.8Very low32.5Very low191 Ų191117.9 Ų117.984%0.83880%0.8SS**  trans-131.282.1160.6-85.3-67.4000111.1
700A29.1Very low32Very low98 Ų98120.6 Ų120.681%0.8180%0.798SS**  trans-126.4105.8163.300000108
701L32.6Very low32.6Very low168 Ų168123.1 Ų123.188%0.8880%0.8SS**  trans-134.8114.6175-73.2177.4000109.6
702G30.2Very low32.8Very low67 Ų67121.3 Ų121.369%0.69179%0.792SS**  trans-149.4130.3169.800000108.9
703L30.3Very low32.9Very low177 Ų177125.5 Ų125.593%0.92780%0.801SS**  trans65.5157.8-171.4-35.2177000111.3
704T29.3Very low32.5Very low135 Ų135125.1 Ų125.183%0.82880%0.801SS**  cis-148.7176.2-4.1-1620000106.6
705S31.6Very low33Very low100 Ų100126 Ų12670%0.69980%0.804SS**  cis-154.8173.710-178.90000109.6
706A35.9Very low33Very low79 Ų79124.7 Ų124.765%0.65380%0.8SS**  trans-74.2159.7154.500000111.3
707P36.1Very low33.5Very low130 Ų130125.6 Ų125.684%0.84480%0.797SS**  trans-73.5152.1177.231-35.8000112.8
708S31.3Very low33.9Very low113 Ų113128.2 Ų128.279%0.7980%0.803SS**  trans-112.9163.4177.8-170.50000111.5
709I39.8Very low34.3Very low144 Ų144127.8 Ų127.874%0.73880%0.8SS**  trans-135.9138.6173.2-43.7-179.4000109
710F33.9Very low34.3Very low193 Ų193125.1 Ų125.185%0.84680%0.8SS**  trans73.4119.5-176.2-68.9-76.3000117.4
711P41.4Very low34.1Very low130 Ų130125.4 Ų125.484%0.84480%0.796SS**  trans-100.7157.1175.638.5-33.2000113.2
712G30Very low34.1Very low70 Ų70126.6 Ų126.672%0.72279%0.794SS**  trans-177.6101.1172.400000116.2
713L31.8Very low34.9Very low181 Ų181129.4 Ų129.495%0.94880%0.801SS**  trans70.1163.5161.3-52.1-179.9000118.5
714S30.7Very low34.9Very low114 Ų114124.1 Ų124.180%0.79779%0.789SS**  trans-107156.8-156.9-55.30000114.2
715P38.3Very low35Very low134 Ų134126.5 Ų126.587%0.8780%0.796SS**  trans-80.3150-176.332.4-36000114.3
716G30.1Very low34.8Very low72 Ų72126.5 Ų126.574%0.74280%0.801SS**  trans-126.5166.5171.800000112.6
717P39.8Very low34.6Very low127 Ų127129.2 Ų129.283%0.82581%0.81SS**  trans-100.4161.2-155.437.8-37.2000117.1
718N39.3Very low34.4Very low152 Ų152128.7 Ų128.781%0.81381%0.809SS**  trans-55.2153.6162.3-34.8-19.1000110.8
719P47.9Very low34.3Very low108 Ų108126.7 Ų126.770%0.70181%0.806SS**  -161.6177.987.340.1-19000118.3
720T30.3Very low33.7Very low135 Ų135123.9 Ų123.983%0.82881%0.813SS**  trans61.2166149.946.30000120.8
721S25.7Very low33.5Very low105 Ų105118.8 Ų118.873%0.73482%0.815SS**  cis-165.3178.8-34.9-163.50000111
722F32.7Very low32.8Very low192 Ų192116.5 Ų116.584%0.84282%0.815SS**  trans-58.4169.5174.6-77.1-85.8000115.2
723P46.7Very low32.9Very low127 Ų127120 Ų12083%0.82582%0.822SS**  cis-134-169.727.540.4-20000115.2
724G29.9Very low32.7Very low66 Ų66122.8 Ų122.868%0.6882%0.82SS**  cis132.6132-8.400000114.4
725L31.5Very low32.7Very low185 Ų185122.4 Ų122.497%0.96982%0.818SS**  trans-168.4158.4164.6-108.9171.6000110.6
726A28.4Very low33.3Very low99 Ų99121.3 Ų121.382%0.81881%0.811SS**  trans-158159.4-166.100000116.9
727V30.3Very low33.1Very low137 Ų137124.3 Ų124.383%0.8381%0.814SS**  trans-158111.9151.3710000107
728S32.1Very low33Very low119 Ų119125.8 Ų125.883%0.83281%0.814SS**  63125.582.7-152.40000114.8
729G29.5Very low33.1Very low70 Ų70123.8 Ų123.872%0.72281%0.809SS**  cis176.8-178.9-1.800000114.7
730G28.5Very low32.2Very low86 Ų86123.5 Ų123.589%0.88781%0.81SS**  trans83.2137.5176.500000115.1
731G28.8Very low32.4Very low86 Ų86125.9 Ų125.989%0.88781%0.809SS**  cis169.5123.3-8.600000110.8
732G27.1Very low32.7Very low82 Ų82128 Ų12885%0.84581%0.81SS**  trans160.195.3-179.100000113.9
733T31.4Very low32.4Very low142 Ų142121.9 Ų121.987%0.87180%0.8SS**  trans-86.9141.6179.953.30000112.8
734R29Very low31.7Very low241 Ų241122.7 Ų122.791%0.90980%0.797SS**  145.3139.9113.9-167.9170.7-172.2168.31.7114
735S29.9Very low31.6Very low106 Ų106124 Ų12474%0.74180%0.796SS**  trans-158.5165.7166.3-164.10000106
736P50.7Low31.5Very low111 Ų111117.7 Ų117.772%0.72178%0.775SS**  cis-124-152.3-5.323.12.7000111.8
737V25.8Very low31.5Very low134 Ų134116.2 Ų116.281%0.81276%0.763SS**  trans93.2119.6154.1-175.90000118.8
738L37.7Very low31.6Very low158 Ų158115.9 Ų115.983%0.82776%0.761SS**  trans-87.7164.1161.5-62.9167.8000108.9
739P40.4Very low32.3Very low110 Ų110115.6 Ų115.671%0.71476%0.757SS**  cis-159.817038.744.7-22.6000121.2
740S30.9Very low32.3Very low102 Ų102117.7 Ų117.771%0.71376%0.76SS**  trans69.4162.2139.2-68.60000124.9
741F33.1Very low32.4Very low185 Ų185118.6 Ų118.681%0.81175%0.753SS**  trans79.3146.4166.3-68.4-73000118.1
742M31.7Very low32.2Very low151 Ų151120.7 Ų120.774%0.74475%0.748SS**  cis-148.7171.8-0.5-150.4139.169.300109.6L744M742-L744 HydrophobicContact CG-CD1 3.79Å; M742-L744 HydrophobicContact CG-CG 4.24Å; M742-L744 HydrophobicContact SD-CD1 3.79Å
743G27.6Very low32.1Very low62 Ų62121.3 Ų121.364%0.63975%0.745SS**  cis-149.8173.84.400000112
744L30.9Very low32.2Very low145 Ų145120.2 Ų120.276%0.75974%0.743SS**  64.9125.959.3-56.8176.4000112.5M742M742-L744 HydrophobicContact CG-CD1 3.79Å; M742-L744 HydrophobicContact CG-CG 4.24Å; M742-L744 HydrophobicContact SD-CD1 3.79Å
745S29.5Very low32Very low94 Ų94115.9 Ų115.966%0.65774%0.743SS**  cis-164.3171.2-3.2-82.90000108.7
746G28.1Very low31.9Very low52 Ų52114.7 Ų114.754%0.53674%0.74SS.*  cis160.6179.2-1.500000112.8F399F399-G746 VanDerWaalsContact CE2-O 3.24Å; F399-G746 WeakPolarHBondContact CE2-O 3.31Å; F399-G746 WeakPolarHBondContact CZ-O 3.33Å
747A28.9Very low30.8Very low67 Ų67115.4 Ų115.455%0.55475%0.745SS**  trans66.1160.5170.200000121.4P397 F399P397-A747 HydrophobicContact CG-CB 4.17Å; F399-A747 HydrophobicContact CE2-CB 3.89Å
748T33Very low30.7Very low130 Ų130116 Ų11680%0.79874%0.743SS**  trans-148.4-174.2-17858.50000107.5
749P46.7Very low30.3Very low114 Ų114116.3 Ų116.374%0.7474%0.74SS**  cis-141.41763.843.6-25.2000118.3
750S29.8Very low29.6Very low113 Ų113116.2 Ų116.279%0.7975%0.748SS**  trans71.6149.2162.3-120.70000117.3
751S28.7Very low29.5Very low105 Ų105115.9 Ų115.973%0.73475%0.752SS**  cis-155.4-171.410.1-167.40000112.1
752V25.4Very low29.1Very low131 Ų131111.9 Ų111.979%0.79475%0.752SS**  trans92.3104.1160.1-167.20000119.7
753A25.4Very low29Very low95 Ų95111.5 Ų111.579%0.78576%0.758SS**  trans53.5135138.300000124
754S32.6Very low29Very low118 Ų118111.6 Ų111.683%0.82576%0.759SS**  trans-83.6146.5163.8-410000112.7
755V26.4Very low28.9Very low150 Ų150111.4 Ų111.491%0.90976%0.764SS**  trans-135.7149.1151-176.70000108.5
756A26.5Very low29.5Very low81 Ų81112.3 Ų112.367%0.66977%0.767SS**PPolyproline II helixtrans-97.1162.2-168.500000114.2
757P28.7Very low29.4Very low127 Ų127114.6 Ų114.683%0.82578%0.775SS**PPolyproline II helixtrans-76.8124.8163.731.5-32.5000111.2
758L23.3Very low29.4Very low147 Ų147116.3 Ų116.377%0.7778%0.783SS**PPolyproline II helixtrans-89.6117.5166.7-86.4167.8000110.7
759Q29.2Very low29.2Very low164 Ų164114.6 Ų114.677%0.76678%0.777SS**  40.5124.5122.1-66.2-177.3-1700119.7
760A26.4Very low29.1Very low108 Ų108114.6 Ų114.689%0.89378%0.776SS**  trans-73.7139.8147.400000109.8
761A26.9Very low29.2Very low95 Ų95111.1 Ų111.179%0.78575%0.75SS**  trans-139.5129.2-173.200000113.8
762A26.4Very low30.1Very low100 Ų100112.5 Ų112.583%0.82675%0.749SS**  trans-156.6136.9156.100000105.8
763V28.3Very low30.6Very low144 Ų144109.8 Ų109.887%0.87373%0.734SS**  cis-126.4156.810.2-177.10000108.9
764G28.3Very low30.9Very low64 Ų64107.8 Ų107.866%0.6672%0.723SS**  trans-77.6-163.8178.300000114
765V29.2Very low31Very low140 Ų140112 Ų11285%0.84873%0.727SS**  cis175.5155.2-2.4118.70000105.9
766P40.7Very low31.2Very low113 Ų113108.7 Ų108.773%0.73472%0.715SS**  cis-134.8-171.4-20.739.9-21.5000114.9
767S26.2Very low31.4Very low101 Ų101110.9 Ų110.971%0.70673%0.725SS**  trans92.7107.1143.3-148.10000122.4
768S29.1Very low31.4Very low102 Ų102108.3 Ų108.371%0.71372%0.715SS**  5792.8125-42.80000121.4
769S29.4Very low31.6Very low95 Ų95110.6 Ų110.666%0.66472%0.719SS**  trans179.1102.2145.7-95.60000114.6V771S769-V771 WeakPolarHBondContact O-CG2 3.03Å
770P44.8Very low31.4Very low113 Ų113107.9 Ų107.973%0.73472%0.718SS**  trans-100.890.4169.736.1-27.2000112P220P220-P770 WeakPolarHBondContact CD-O 3.31Å
771V30.8Very low31.5Very low40 Ų40108 Ų10824%0.24271%0.712CS.*  trans-153139.6-154.7-109.30000108.3T217 A219 S769T217-V771 WeakPolarHBondContact CA-O 2.92Å; T217-V771 HydrophobicContact CG2-CB 3.57Å; T217-V771 HydrophobicContact CG2-CG2 3.21Å; T217-V771 WeakPolarHBondContact CG2-O 3.02Å; A219-V771 HydrophobicContact CB-CG1 3.46Å; A219-V771 VanDerWaalsContact CB-CG1 3.46Å; S769-V771 WeakPolarHBondContact O-CG2 3.03Å
772L48Very low31.5Very low135 Ų135110.5 Ų110.571%0.70771%0.713SS**  trans-153.7108.7-153.7-169.3174.2000117.1I218I218-L772 VanDerWaalsContact N-N 3.15Å; I218-L772 CarbonylContact O-C 3.6Å; I218-L772 PolarHBondContact O-N 2.65Å
773P36.8Very low31.7Very low73 Ų73114.9 Ų114.947%0.47471%0.713SS.*  trans-96143.7152.7814.5000108.7A216A216-P773 WeakPolarHBondContact O-CG 3.24Å
774G32Very low31.7Very low54 Ų54116.7 Ų116.756%0.55771%0.712SS**  cis111.4125.340.300000106.5
775F33.8Very low32.3Very low206 Ų206119.4 Ų119.490%0.90472%0.718SS**  cis-126148.317.9-62.2-104.4000109.5
776A31.1Very low32.2Very low81 Ų81118.6 Ų118.667%0.66971%0.713SS**  cis82.2121.831.100000115.4
777S30.4Very low31.7Very low126 Ų126121 Ų12188%0.88172%0.719SS**  trans66.9155.8160.7-620000118.3
778A29.3Very low31.7Very low74 Ų74126.8 Ų126.861%0.61273%0.727SS**  cis-161.7163.2-21.800000105.9
779F27.3Very low31.7Very low195 Ų195131.6 Ų131.686%0.85574%0.736SS**  cis-138.4162.134.7-75-102.6000110.6
780S25.3Very low31.6Very low107 Ų107135.2 Ų135.275%0.74874%0.739SS**  cis78.960.119.6-165.40000117.6
781S26.9Very low30.8Very low110 Ų110137.6 Ų137.677%0.76974%0.741SS**  trans-159.3111.9138.9-157.20000107.1
782N27.7Very low30.5Very low147 Ų147140.1 Ų140.179%0.78676%0.76SS**  64.112466.1-153.8-5.3000113.3
783F30Very low29.7Very low193 Ų193141 Ų14185%0.84677%0.765SS**  trans-84.7134.9177.5-88.9-103.7000110
784Q29.6Very low29.4Very low181 Ų181143.3 Ų143.385%0.84678%0.783SS**  trans-155.3137.3135.3-115.2167.241.500111.4
785P39Very low29.2Very low121 Ų121144.2 Ų144.279%0.78679%0.792SS**  trans-89.3130.3176.233.7-31000111
786V28.2Very low28.9Very low123 Ų123139 Ų13975%0.74579%0.786SS**  trans-130.1126.5163.8-178.60000108.8Y788V786-Y788 HydrophobicContact CG1-CD2 4.36Å
787L29.3Very low28.9Very low164 Ų164143.7 Ų143.786%0.85980%0.8SS**  trans-74.3126.3170.5-81.7161000109.7
788Y27Very low28.8Very low223 Ų223146.2 Ų146.288%0.87580%0.798SS**  trans-136.2149.3148.2-103.8-81.7000111.2V786V786-Y788 HydrophobicContact CG1-CD2 4.36Å
789F29.1Very low28.9Very low203 Ų203146.8 Ų146.889%0.8980%0.802SS**  trans-84.1171.3-176.3-120.9-103.2000111.8
790K27Very low29.6Very low170 Ų170143.8 Ų143.874%0.73980%0.802SS**  trans8885.5151.3-155.8-178.1-178.2-164.10119.4
791Q27.8Very low29.8Very low163 Ų163142.8 Ų142.876%0.76281%0.809SS**  75.2139.1112.7-159.6177.35.100121.5
792S25.9Very low29.9Very low93 Ų93140.8 Ų140.865%0.6581%0.805SS**  trans84.2134.3155.2-890000122
793L31Very low30.1Very low154 Ų154140.2 Ų140.281%0.80681%0.813SS**  trans60.7104.5142.6-65.3165.4000120.5
794S30.1Very low30.1Very low122 Ų122134.7 Ų134.785%0.85381%0.811SS**  28.8134.6105.9-164.90000119.1
795G27.8Very low30.2Very low73 Ų73136.1 Ų136.175%0.75382%0.815SS**  trans154.588.6158.200000116.1
796A27.5Very low30.7Very low95 Ų95136.2 Ų136.279%0.78582%0.815SS**  trans-58.9-176.8177.200000117.8
797L30.6Very low30.8Very low181 Ų181133.3 Ų133.395%0.94881%0.81SS**  trans90.5164.2159.2-67.7166.8000118.8
798Q28.7Very low31.1Very low179 Ų179133.1 Ų133.184%0.83681%0.809SS**  trans-147.3130.9-145.8169.8-179.7-8.300112.2
799A30.5Very low31.4Very low86 Ų86130.4 Ų130.471%0.71181%0.809SS**  trans65177.116200000116.3
800P43.1Very low31.3Very low131 Ų131126.1 Ų126.185%0.85180%0.804SS**  -134.5161.4-74.139.6-25.6000115.6
801G29.4Very low31.6Very low86 Ų86127.1 Ų127.189%0.88781%0.809SS**  trans91.2161.5171.500000114.8
802G30Very low32.4Very low68 Ų68125.3 Ų125.370%0.70181%0.811SS**  cis168.9125-900000113.6
803S31Very low32.7Very low136 Ų136124.4 Ų124.495%0.95181%0.809SS**  trans66.9147.4175.975.70000118
804G29.5Very low32.8Very low77 Ų77123.7 Ų123.779%0.79481%0.811SS**  trans137.889.3173.200000116.5
805F31.4Very low33.3Very low211 Ų211123.8 Ų123.893%0.92581%0.809SS**  trans-94.8177.4160.5-92.3-93.2000109.1
806P50.2Low33.3Very low122 Ų122123.2 Ų123.279%0.79280%0.803SS**  cis-139.5-178.311.543.2-25.2000117.7
807G30.7Very low33.5Very low63 Ų63128.5 Ų128.565%0.64981%0.809SS**  trans104.6151.814900000117.7
808L34.7Very low34.4Very low160 Ų160125.3 Ų125.384%0.83880%0.799SS**  cis-153.4163.9-8.6-76.6176.9000110
809L33.1Very low35.3Very low166 Ų166122 Ų12287%0.86979%0.793SS**  trans69138.7166.9-44-176.4000117.1
810S28.2Very low35.3Very low113 Ų113123.5 Ų123.579%0.7980%0.798SS**  cis-157.3154.5-17.1-171.80000110.5
811F31.9Very low34.6Very low190 Ų190121.5 Ų121.583%0.83379%0.793SS**  trans-97.3168.7172.8-74.1-79.9000112.1
812P45.2Very low34.5Very low125 Ų125123.2 Ų123.281%0.81279%0.791SS**  -123.7134.582.931.3-19.8000113.1
813A31.6Very low34.4Very low74 Ų74124.6 Ų124.661%0.61280%0.796SS**  89100.66700000112.6
814V34.4Very low34.2Very low139 Ų139123 Ų12384%0.84279%0.791SS**  90.6148.584.4159.80000112
815P40.2Very low34Very low125 Ų125123.5 Ų123.581%0.81279%0.787SS**  cis-116.4-178-5.933.2-14.9000113.9
816G28.1Very low33.8Very low61 Ų61121.4 Ų121.463%0.62979%0.785SS**  cis160.5119.7-14.300000115.8
817F31.9Very low32.7Very low206 Ų206121.8 Ų121.890%0.90479%0.791SS**  54.2166129-76.8-60000123.9
818P47.8Very low32.6Very low113 Ų113121.9 Ų121.973%0.73479%0.791SS**  cis-133-137.3-13.330.7-3.6000114.5
819P49.3Very low32.3Very low110 Ų110122.2 Ų122.271%0.71479%0.793SS**  -140.8-176.5-96.346.5-28.6000119.1
820S29.1Very low32.3Very low117 Ų117122.6 Ų122.682%0.81879%0.79SS**  trans74.4164.6148.4-120.70000118.8
821A28.5Very low32.3Very low90 Ų90123.6 Ų123.674%0.74479%0.787SS**  cis-145.6-178.34.400000112.8
822S27.3Very low33.1Very low121 Ų121119.2 Ų119.285%0.84678%0.777SS**  trans-113.6166.6-178.2-64.40000114.2
823A27.8Very low32.2Very low97 Ų97119 Ų11980%0.80278%0.778SS**  trans97.5115.6141.200000122
824A26.8Very low31.9Very low102 Ų102124 Ų12484%0.84379%0.791SS**  86.4150.912000000123.8
825A25.3Very low32.4Very low88 Ų88122.6 Ų122.673%0.72779%0.785SS**  trans82.9109.5147.500000122.1
826L28.7Very low32.1Very low168 Ų168121.9 Ų121.988%0.8878%0.783SS**  40118.5124-68.1162.9000120.5
827S26.8Very low32.1Very low130 Ų130123.2 Ų123.291%0.90979%0.788SS**  -172.7168.8113.4-80.40000110.6
828G27.8Very low32Very low64 Ų64121.1 Ų121.166%0.6679%0.785SS**  trans-146.3179.7174.100000110.9
829L29.3Very low31.3Very low167 Ų167122.4 Ų122.487%0.87479%0.786SS**  trans166.4125.5155.3-98.3149.6000112.6
830H32.1Very low30.5Very low175 Ų175126 Ų12681%0.8179%0.793SS**  trans85.5157.9135.7-130.9-100.8000124.1
831N27.9Very low30.4Very low134 Ų134123.7 Ų123.772%0.71779%0.787SS**  trans-111.4-173.2-170.1-14412.7000108.8
832P48.4Very low31.2Very low98 Ų98128.4 Ų128.464%0.63679%0.794SS**  cis-142.3-178.6-343.8-25.6000116.8
833S26.8Very low31.8Very low119 Ų119128.4 Ų128.483%0.83279%0.791SS**  trans167.5169.3130.2490000115.7
834M26.6Very low31.9Very low179 Ų179129.8 Ų129.888%0.88279%0.789SS**  trans-128.1-174177.9-95.7-152.8-172.700108.6
835P44.9Very low32.1Very low110 Ų110130.6 Ų130.671%0.71479%0.789SS**  cis-144.5176.11144.4-24.3000119.5
836S31.9Very low32.3Very low111 Ų111131.4 Ų131.478%0.77680%0.796SS**  trans49.9122.9137.2-62.60000127.8
837A29.2Very low32.8Very low88 Ų88131.1 Ų131.173%0.72779%0.794SS**  71.3135.8119.500000124.9
838L30.1Very low32.9Very low162 Ų162132.8 Ų132.885%0.84879%0.788SS**  173.8164.1112-89.6169.8000115.7
839L33.3Very low32.7Very low141 Ų141135.4 Ų135.474%0.73879%0.787SS**  trans-27.1176.1166.8-61.4170.3000120.4
840Q31.1Very low32.7Very low184 Ų184136.5 Ų136.586%0.8678%0.784SS**  cis175149.3-26.2177.7170.5-65.800109.6
841G28.5Very low33.8Very low69 Ų69133.9 Ų133.971%0.71178%0.783SS**  trans139.6157157.100000120.1
842H44.2Very low35Very low190 Ų190133 Ų13388%0.8879%0.785SS**  trans-135.6157.1176-76.8-85.2000111.6
843P40Very low34.2Very low120 Ų120135.7 Ų135.778%0.77979%0.789SS**  -150.5-152.412137.3-17.7000114.7
844T30Very low35.2Very low126 Ų126135.9 Ų135.977%0.77379%0.787SS**  -153.6167-95.949.30000114
845S32Very low35.3Very low119 Ų119132.3 Ų132.383%0.83277%0.772SS**  trans76.5162155.1-52.10000119.1
846A29.4Very low34.3Very low105 Ų105138.1 Ų138.187%0.86878%0.781SS**  cis-151.6-174.10.200000112.6
847L38.5Very low34.2Very low163 Ų163140.5 Ų140.585%0.85378%0.78SS**  trans-153.6145.3-176.4-164.5174.1000113.6
848E28.7Very low35.1Very low165 Ų165141.9 Ų141.977%0.77178%0.781SS**  trans-157162.8167.7-111-166.181.700110.3
849N24.6Very low35Very low119 Ų119137.8 Ų137.864%0.63678%0.778SS**  cis-158.7-165.1-10.4-152.9-26.2000110.7
850F29.5Very low35.5Very low189 Ų189137.7 Ų137.783%0.82979%0.786SS**  trans-118.6-179.9179.8-68-79.4000111.4
851P54.6Low35.4Very low120 Ų120132.7 Ų132.778%0.77978%0.784SS**  cis-130.5-14621.640.9-17000112
852P52.5Low35.8Very low116 Ų116136.8 Ų136.875%0.75379%0.79SS**  cis-132.3-134.2-2.843.5-21.6000116
853Q32.8Very low36Very low155 Ų155132.7 Ų132.772%0.72478%0.78SS**  trans-159161.1-156.1-93.3-58.9-44.400112.5
854P47.7Very low35.6Very low122 Ų122135.1 Ų135.179%0.79278%0.778SS**  -151.5125.469.437.8-15.2000120.7
855N27.8Very low35.6Very low105 Ų105134.3 Ų134.356%0.56178%0.778SS**  44.5132.7114.8-159.719.4000123.9
856Y24.1Very low35.6Very low231 Ų231135.1 Ų135.191%0.90677%0.772SS**  trans-168.1166.2138-100.1-65000112.7
857H28.9Very low35.7Very low162 Ų162138.5 Ų138.575%0.7577%0.77SS**  trans-151.9-173.5-162.3-96.1-72.8000111.2
858P48.2Very low36Very low116 Ų116135.9 Ų135.975%0.75376%0.763SS**  cis-142.3170.9-38.839.3-21.6000117.2
859G27.8Very low36Very low76 Ų76131.5 Ų131.578%0.78476%0.761SS**  trans74.6-177.8147.300000120.2
860P44.7Very low36.3Very low139 Ų139134.7 Ų134.790%0.90378%0.777SS**  cis-135.2178.8-9.743-27.1000116.1
861G29.8Very low36.5Very low80 Ų80133.8 Ų133.883%0.82578%0.775SS**  trans126119150.200000119.7
862N36.9Very low36.5Very low155 Ų155132.6 Ų132.683%0.82977%0.768SS**  trans-169.3139.5168.9-173.114000110.5
863P47.1Very low35.6Very low104 Ų104134.6 Ų134.668%0.67577%0.767SS**  trans-157140.5131.634.1-13.9000119.3
864F31.2Very low36.1Very low171 Ų171135.1 Ų135.175%0.7577%0.774SS**  trans48.2156.5140.8-65.2-77.7000122.5L866F864-L866 HydrophobicContact CD1-CD1 3.99Å; F864-L866 HydrophobicContact CD1-CG 4.12Å; F864-L866 HydrophobicContact CE1-CD1 4.42Å
865S30.9Very low35.6Very low109 Ų109133 Ų13376%0.76278%0.775SS**  cis-151.5137.633.7-61.70000111.3
866L31.9Very low36Very low135 Ų135140.5 Ų140.571%0.70780%0.795SS**  72.8106.177.5-65.8172.7000118.7F864F864-L866 HydrophobicContact CD1-CD1 3.99Å; F864-L866 HydrophobicContact CD1-CG 4.12Å; F864-L866 HydrophobicContact CE1-CD1 4.42Å
867Q31.2Very low36.6Very low177 Ų177141.9 Ų141.983%0.82781%0.81SS**  trans26.5171.8132.3-99.5-175.4-80.400123.6
868P45.2Very low37Very low108 Ų108140.9 Ų140.970%0.70181%0.813SS**  cis-140163.1-5.337.2-17.6000119.1
869G28Very low36.4Very low72 Ų72142.2 Ų142.274%0.74282%0.816SS**  89.9125.3122.400000122.7
870L32.2Very low36.9Very low186 Ų186145.9 Ų145.997%0.97482%0.818SS**  177.9153.5117.4-95170.3000113.9
871H32.8Very low36.5Very low170 Ų170146.3 Ų146.379%0.78781%0.813SS**  trans-158154.5177.9-179.5-111.3000105.4
872P54.3Low36.9Very low95 Ų95150.4 Ų150.462%0.61781%0.812SS**  cis-119.6-167.620.236-14000113.2
873Q34.3Very low36.9Very low158 Ų158150.1 Ų150.174%0.73881%0.811SS**  176.9129.671.8179.9162.7-25.300114.1
874L42.7Very low36.2Very low166 Ų166153.4 Ų153.487%0.86982%0.821SS**  trans26.8134.5147.4-55.5170.8000122
875G36.8Very low36.5Very low78 Ų78152.1 Ų152.180%0.80483%0.826SS**  trans163.895.6154.800000115.2
876W36.2Very low37Very low262 Ų262155.7 Ų155.799%0.99283%0.832SS**  trans-109.7127.6165.1-86.587.1000109.7
877Q38.7Very low37.5Very low261 Ų261157.5 Ų157.5100%1.2284%0.843SS**  trans-154.40144.3-162.1164.118.900110.1

Retrieved 877 of 877 residues in 162 ms (Link to these results)

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