A0A096MIC4_POEFO Loading...

SH2 domain containing 4A

AlphaFold DB , UniProt , Accession A0A096MIC4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 267 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
1M79.1Confident88.3Confident180 Ų18089.6 Ų89.689%0.88744%0.441SS*.  0-63.40-166.1-179.4-86.400111.9A3 Q4 I5 V15M1-A3 VanDerWaalsContact C-N 3.31Å; M1-A3 PolarHBondContact O-N 3.03Å; M1-Q4 WeakPolarHBondContact O-CB 3.36Å; M1-Q4 PolarHBondContact O-N 2.92Å; M1-I5 PolarHBondContact O-N 3.24Å; M1-V15 HydrophobicContact SD-CG1 4.31Å
2L85.3Confident88.7Confident91 Ų9190 Ų9048%0.47645%0.446SS..Hα-helixtrans-53.1-42179.3-177.963.8000114.4Q4 I5 L6 L27L2-Q4 PolarHBondContact O-N 2.67Å; L2-I5 PolarHBondContact O-N 3.26Å; L2-L6 HydrophobicContact CG-CD1 4.25Å; L2-L6 WeakPolarHBondContact O-CG 3.43Å; L2-L6 PolarHBondContact O-N 3.39Å; L2-L27 HydrophobicContact CD1-CD1 3.36Å
3A85.7Confident88.9Confident79 Ų7990.3 Ų90.365%0.65346%0.459SS*.Hα-helixtrans-59.1-33.2177.600000113.2M1 K7M1-A3 VanDerWaalsContact C-N 3.31Å; M1-A3 PolarHBondContact O-N 3.03Å; A3-K7 WeakPolarHBondContact O-CB 3.38Å; A3-K7 PolarHBondContact O-N 3.11Å
4Q89.4Confident89Confident92 Ų9295.6 Ų95.643%0.4348%0.481SS..Hα-helixtrans-70.8-43.1177.6-169.866.911.500111.1M1 L2 L6 K7 E8M1-Q4 WeakPolarHBondContact O-CB 3.36Å; M1-Q4 PolarHBondContact O-N 2.92Å; L2-Q4 PolarHBondContact O-N 2.67Å; Q4-L6 VanDerWaalsContact C-N 3.33Å; Q4-L6 PolarHBondContact O-N 2.98Å; Q4-K7 CarbonylContact O-C 3.59Å; Q4-K7 WeakPolarHBondContact O-CA 3.47Å; Q4-K7 WeakPolarHBondContact O-CB 3.48Å; Q4-K7 PolarHBondContact O-N 3.03Å; Q4-K7 VanDerWaalsContact O-N 3.07Å; Q4-E8 VanDerWaalsContact NE2-CD 3.32Å; Q4-E8 PolarHBondContact NE2-OE1 2.87Å; Q4-E8 PolarHBondContact O-N 3.41Å
5I89.8Confident89Confident19 Ų1992.3 Ų92.310%0.09747%0.468CS..Hα-helixtrans-61.7-42.3176.2-66.2160.7000110.7M1 L2 K7 E8 M9 V11 L27 M31M1-I5 PolarHBondContact O-N 3.24Å; L2-I5 PolarHBondContact O-N 3.26Å; I5-K7 VanDerWaalsContact C-N 3.28Å; I5-K7 PolarHBondContact O-N 3.2Å; I5-E8 PolarHBondContact O-N 3.23Å; I5-M9 WeakPolarHBondContact O-CA 3.5Å; I5-M9 PolarHBondContact O-N 3.01Å; I5-V11 HydrophobicContact CD1-CB 4.49Å; I5-V11 HydrophobicContact CD1-CG2 3.65Å; I5-V11 HydrophobicContact CG1-CB 4.43Å; I5-V11 HydrophobicContact CG1-CG2 4.06Å; I5-V11 HydrophobicContact CG2-CB 3.94Å; I5-V11 HydrophobicContact CG2-CG2 4.22Å; I5-L27 HydrophobicContact CG2-CD1 3.96Å; I5-M31 HydrophobicContact CG2-SD 4.24Å
6L88.7Confident89.2Confident38 Ų3889.1 Ų89.120%0.19945%0.452CS..Hα-helixtrans-66.9-32.2175.8-65.5176.4000111.7L2 Q4 K30 M31 R38L2-L6 HydrophobicContact CG-CD1 4.25Å; L2-L6 WeakPolarHBondContact O-CG 3.43Å; L2-L6 PolarHBondContact O-N 3.39Å; Q4-L6 VanDerWaalsContact C-N 3.33Å; Q4-L6 PolarHBondContact O-N 2.98Å; L6-K30 HydrophobicContact CD1-CB 4.32Å; L6-K30 HydrophobicContact CD2-CB 3.82Å; L6-M31 HydrophobicContact CD2-CG 3.87Å; L6-R38 PolarHBondContact O-NH2 2.85Å
7K88.8Confident89.4Confident142 Ų14292.9 Ų92.962%0.61747%0.468SS*.Hα-helixtrans-68.4-50.3173.9-171.8179.9178.9-177.40111.8A3 Q4 I5 R38A3-K7 WeakPolarHBondContact O-CB 3.38Å; A3-K7 PolarHBondContact O-N 3.11Å; Q4-K7 CarbonylContact O-C 3.59Å; Q4-K7 WeakPolarHBondContact O-CA 3.47Å; Q4-K7 WeakPolarHBondContact O-CB 3.48Å; Q4-K7 PolarHBondContact O-N 3.03Å; Q4-K7 VanDerWaalsContact O-N 3.07Å; I5-K7 VanDerWaalsContact C-N 3.28Å; I5-K7 PolarHBondContact O-N 3.2Å; K7-R38 VanDerWaalsContact CA-NH2 3.34Å; K7-R38 VanDerWaalsContact O-CZ 3.23Å; K7-R38 PolarHBondContact O-NH1 3.45Å; K7-R38 PolarHBondContact O-NH2 3.46Å
8E88.6Confident89.5Confident115 Ų11592.8 Ų92.854%0.53748%0.483SS..Hα-helixtrans-82.7-17.8-175.3-67179.4169.200113Q4 I5 W10Q4-E8 VanDerWaalsContact NE2-CD 3.32Å; Q4-E8 PolarHBondContact NE2-OE1 2.87Å; Q4-E8 PolarHBondContact O-N 3.41Å; I5-E8 PolarHBondContact O-N 3.23Å; E8-W10 PolarHBondContact O-N 2.83Å; E8-W10 VanDerWaalsContact O-N 3.16Å
9M92.1Very high89.6Confident36 Ų3690.3 Ų90.318%0.17747%0.47CS..SBendtrans58.116.2-173.5-71.9-63.1-41.300114I5 M31 E34 Q35I5-M9 WeakPolarHBondContact O-CA 3.5Å; I5-M9 PolarHBondContact O-N 3.01Å; M9-M31 HydrophobicContact CE-CB 3.75Å; M9-M31 HydrophobicContact CE-CE 3.64Å; M9-M31 HydrophobicContact CE-CG 4.08Å; M9-M31 WeakPolarHBondContact CE-O 3.36Å; M9-M31 VanDerWaalsContact O-CE 3.27Å; M9-M31 WeakPolarHBondContact O-CE 3.26Å; M9-E34 HydrophobicContact SD-CB 4.05Å; M9-E34 HydrophobicContact SD-CG 3.86Å; M9-Q35 HydrophobicContact CE-CG 3.38Å; M9-Q35 HydrophobicContact SD-CG 4.23Å
10W90.7Very high89.9Confident175 Ų17588.4 Ų88.466%0.66347%0.465SS*.  trans-123.7144.6179-176-109.7000109.9E8E8-W10 PolarHBondContact O-N 2.83Å; E8-W10 VanDerWaalsContact O-N 3.16Å
11V92.8Very high90.2Very high19 Ų1990.4 Ų90.412%0.11547%0.472CS..  trans-136.8136.2177.672.90000109.6I5 V15 L16 L27I5-V11 HydrophobicContact CD1-CB 4.49Å; I5-V11 HydrophobicContact CD1-CG2 3.65Å; I5-V11 HydrophobicContact CG1-CB 4.43Å; I5-V11 HydrophobicContact CG1-CG2 4.06Å; I5-V11 HydrophobicContact CG2-CB 3.94Å; I5-V11 HydrophobicContact CG2-CG2 4.22Å; V11-V15 HydrophobicContact CG2-CG1 4.47Å; V11-L16 HydrophobicContact CG1-CB 4.26Å; V11-L16 HydrophobicContact CG1-CD1 4.18Å; V11-L16 HydrophobicContact CG1-CD2 4.16Å; V11-L16 HydrophobicContact CG1-CG 4.44Å; V11-L27 HydrophobicContact CG2-CD2 4.49Å
12D93.1Very high91Very high94 Ų9487 Ų8750%0.50345%0.454SS..  trans-70.8139.5177-64.8-35.3000110.8E14 V15 L16D12-E14 VanDerWaalsContact C-N 3.3Å; D12-E14 PolarHBondContact O-N 3.46Å; D12-V15 HydrophobicContact CB-CB 4.49Å; D12-V15 HydrophobicContact CB-CG2 4.19Å; D12-V15 PolarHBondContact O-N 3.38Å; D12-L16 PolarHBondContact O-N 3.46Å
13P91.5Very high91.4Very high94 Ų9487.6 Ų87.661%0.6145%0.454SS*.Hα-helixtrans-62.3-35.6-174.722.7-32.2000112.9L16 E17P13-L16 PolarHBondContact O-N 3.12Å; P13-E17 PolarHBondContact O-N 3.29Å
14E90.5Very high91.8Very high164 Ų16485.9 Ų85.977%0.76643%0.432SS*.Hα-helixtrans-64.7-41176.9-64.3-179.1-179.300112D12 L16 E17 A18D12-E14 VanDerWaalsContact C-N 3.3Å; D12-E14 PolarHBondContact O-N 3.46Å; E14-L16 VanDerWaalsContact C-N 3.34Å; E14-E17 PolarHBondContact O-N 3.32Å; E14-A18 WeakPolarHBondContact O-CB 3.43Å; E14-A18 PolarHBondContact O-N 2.98Å; E14-A18 VanDerWaalsContact O-N 3.12Å
15V89.4Confident92Very high47 Ų4788.8 Ų88.829%0.28544%0.439SS..Hα-helixtrans-67.8-39176177.30000110.4M1 V11 D12 E17 A18 L19M1-V15 HydrophobicContact SD-CG1 4.31Å; V11-V15 HydrophobicContact CG2-CG1 4.47Å; D12-V15 HydrophobicContact CB-CB 4.49Å; D12-V15 HydrophobicContact CB-CG2 4.19Å; D12-V15 PolarHBondContact O-N 3.38Å; V15-E17 VanDerWaalsContact C-N 3.34Å; V15-A18 PolarHBondContact O-N 3.18Å; V15-L19 WeakPolarHBondContact O-CG 3.48Å; V15-L19 PolarHBondContact O-N 3.32Å
16L91.1Very high92.3Very high41 Ų4191.3 Ų91.322%0.21546%0.455CS..Hα-helixtrans-67.4-34.4177.3-171.766000112V11 D12 P13 E14 K24 L27 F28V11-L16 HydrophobicContact CG1-CB 4.26Å; V11-L16 HydrophobicContact CG1-CD1 4.18Å; V11-L16 HydrophobicContact CG1-CD2 4.16Å; V11-L16 HydrophobicContact CG1-CG 4.44Å; D12-L16 PolarHBondContact O-N 3.46Å; P13-L16 PolarHBondContact O-N 3.12Å; E14-L16 VanDerWaalsContact C-N 3.34Å; L16-K24 HydrophobicContact CD1-CD 4.42Å; L16-K24 HydrophobicContact CD1-CG 4.09Å; L16-K24 WeakPolarHBondContact O-CD 3.31Å; L16-K24 WeakPolarHBondContact O-CE 3.28Å; L16-K24 PolarHBondContact O-NZ 3.07Å; L16-L27 HydrophobicContact CD1-CD2 3.91Å; L16-F28 HydrophobicContact CD1-CE1 4.35Å; L16-F28 HydrophobicContact CD1-CZ 3.92Å; L16-F28 HydrophobicContact CD2-CZ 4.11Å
17E92.9Very high92.6Very high154 Ų15489.7 Ų89.772%0.7245%0.447SS*.Hα-helixtrans-69-41.4176.1-171.7167.9-16500111.8P13 E14 V15 L19 K24P13-E17 PolarHBondContact O-N 3.29Å; E14-E17 PolarHBondContact O-N 3.32Å; V15-E17 VanDerWaalsContact C-N 3.34Å; E17-L19 VanDerWaalsContact C-N 3.27Å; E17-L19 PolarHBondContact O-N 3.38Å; E17-K24 PolarHBondContact O-NZ 3.44Å; E17-K24 VanDerWaalsContact O-NZ 3.13Å
18A91.6Very high92.8Very high90 Ų9088 Ų8874%0.74444%0.439SS*.Hα-helixtrans-68.1-19.2-179.300000114.8E14 V15E14-A18 WeakPolarHBondContact O-CB 3.43Å; E14-A18 PolarHBondContact O-N 2.98Å; E14-A18 VanDerWaalsContact O-N 3.12Å; V15-A18 PolarHBondContact O-N 3.18Å
19L91.5Very high93.2Very high45 Ų4587.8 Ų87.824%0.23644%0.442CS..SBendtrans-72.7149.7173.7-71.9171.2000111V15 E17 Q23 K24 L27V15-L19 WeakPolarHBondContact O-CG 3.48Å; V15-L19 PolarHBondContact O-N 3.32Å; E17-L19 VanDerWaalsContact C-N 3.27Å; E17-L19 PolarHBondContact O-N 3.38Å; L19-Q23 HydrophobicContact CB-CB 4.14Å; L19-Q23 HydrophobicContact CD2-CB 4.06Å; L19-K24 HydrophobicContact CB-CG 3.91Å; L19-K24 WeakPolarHBondContact O-CE 3.4Å; L19-K24 PolarHBondContact O-NZ 3.38Å; L19-L27 HydrophobicContact CD1-CD2 3.89Å
20S95.3Very high93.3Very high52 Ų5290.3 Ų90.336%0.36445%0.451SS..  trans-69.8157.117068.90000111.2E22 Q23 K24S20-E22 PolarHBondContact O-N 3.09Å; S20-E22 VanDerWaalsContact O-N 3.16Å; S20-Q23 PolarHBondContact O-N 3.43Å; S20-Q23 VanDerWaalsContact OG-CG 3.31Å; S20-Q23 WeakPolarHBondContact OG-CG 2.87Å; S20-Q23 PolarHBondContact OG-N 2.72Å; S20-Q23 PolarHBondContact OG-OE1 2.78Å; S20-K24 WeakPolarHBondContact O-CG 3.27Å; S20-K24 PolarHBondContact O-N 2.99Å
21E95.8Very high93.5Very high132 Ų13283 Ų8362%0.61743%0.425SS*.Hα-helixtrans-54.1-37.6178.5-73.169.3-151.600112.1K24 R25E21-K24 PolarHBondContact O-N 2.77Å; E21-R25 VanDerWaalsContact O-CG 3.32Å; E21-R25 WeakPolarHBondContact O-CG 3.19Å; E21-R25 PolarHBondContact O-N 2.86Å
22E95.5Very high93.7Very high109 Ų10989.6 Ų89.651%0.50945%0.448SS..Hα-helixtrans-67-42.3178.3-169.557.3-152.200111.9S20 K24 R25 V26S20-E22 PolarHBondContact O-N 3.09Å; S20-E22 VanDerWaalsContact O-N 3.16Å; E22-K24 VanDerWaalsContact C-N 3.32Å; E22-K24 PolarHBondContact O-N 3.43Å; E22-R25 WeakPolarHBondContact O-CB 3.41Å; E22-R25 PolarHBondContact O-N 3.41Å; E22-R25 IonicContact OE2-CZ 3.51Å; E22-R25 IonicContact OE2-NH1 3.45Å; E22-R25 PolarHBondContact OE2-NH1 3.2Å; E22-V26 WeakPolarHBondContact O-CG2 3.38Å; E22-V26 PolarHBondContact O-N 3.04Å; E22-V26 VanDerWaalsContact O-N 3.09Å
23Q94.7Very high93.8Very high103 Ų10390.1 Ų90.148%0.48145%0.447SS..Hα-helixtrans-65-37.3175.3-70.9170.8-26.100111.8L19 S20 V26 L27L19-Q23 HydrophobicContact CB-CB 4.14Å; L19-Q23 HydrophobicContact CD2-CB 4.06Å; S20-Q23 PolarHBondContact O-N 3.43Å; S20-Q23 VanDerWaalsContact OG-CG 3.31Å; S20-Q23 WeakPolarHBondContact OG-CG 2.87Å; S20-Q23 PolarHBondContact OG-N 2.72Å; S20-Q23 PolarHBondContact OG-OE1 2.78Å; Q23-V26 PolarHBondContact O-N 3.13Å; Q23-L27 VanDerWaalsContact O-CB 3.26Å; Q23-L27 WeakPolarHBondContact O-CB 3.47Å; Q23-L27 PolarHBondContact O-N 2.8Å
24K94.5Very high94Very high42 Ų4287.3 Ų87.318%0.18343%0.426CS..Hα-helixtrans-62.2-43.7174.6-65.3178.7-145.3-1620111.3L16 E17 L19 S20 E21 E22 V26 L27 F28L16-K24 HydrophobicContact CD1-CD 4.42Å; L16-K24 HydrophobicContact CD1-CG 4.09Å; L16-K24 WeakPolarHBondContact O-CD 3.31Å; L16-K24 WeakPolarHBondContact O-CE 3.28Å; L16-K24 PolarHBondContact O-NZ 3.07Å; E17-K24 PolarHBondContact O-NZ 3.44Å; E17-K24 VanDerWaalsContact O-NZ 3.13Å; L19-K24 HydrophobicContact CB-CG 3.91Å; L19-K24 WeakPolarHBondContact O-CE 3.4Å; L19-K24 PolarHBondContact O-NZ 3.38Å; S20-K24 WeakPolarHBondContact O-CG 3.27Å; S20-K24 PolarHBondContact O-N 2.99Å; E21-K24 PolarHBondContact O-N 2.77Å; E22-K24 VanDerWaalsContact C-N 3.32Å; E22-K24 PolarHBondContact O-N 3.43Å; K24-V26 PolarHBondContact O-N 3.4Å; K24-L27 PolarHBondContact O-N 2.81Å; K24-F28 HydrophobicContact CB-CD2 4.47Å; K24-F28 HydrophobicContact CB-CE2 4.11Å; K24-F28 WeakPolarHBondContact O-CD2 3.35Å; K24-F28 WeakPolarHBondContact O-CG 2.75Å; K24-F28 PolarHBondContact O-N 2.94Å
25R94.1Very high94.2Very high154 Ų15483.5 Ų83.558%0.58141%0.408SS*.Hα-helixtrans-57.8-50.3176-69.5167.3-173171.5-2.9111.3E21 E22 L27 F28 L29E21-R25 VanDerWaalsContact O-CG 3.32Å; E21-R25 WeakPolarHBondContact O-CG 3.19Å; E21-R25 PolarHBondContact O-N 2.86Å; E22-R25 WeakPolarHBondContact O-CB 3.41Å; E22-R25 PolarHBondContact O-N 3.41Å; E22-R25 IonicContact OE2-CZ 3.51Å; E22-R25 IonicContact OE2-NH1 3.45Å; E22-R25 PolarHBondContact OE2-NH1 3.2Å; R25-L27 VanDerWaalsContact C-N 3.34Å; R25-L27 PolarHBondContact O-N 3.16Å; R25-F28 PolarHBondContact O-N 3.29Å; R25-L29 WeakPolarHBondContact O-CG 3.31Å; R25-L29 PolarHBondContact O-N 3.13Å
26V95.3Very high94.5Very high71 Ų7183 Ų8343%0.4341%0.405SS..Hα-helixtrans-62.1-42.8178.5175.10000111.3E22 Q23 K24 L29 K30E22-V26 WeakPolarHBondContact O-CG2 3.38Å; E22-V26 PolarHBondContact O-N 3.04Å; E22-V26 VanDerWaalsContact O-N 3.09Å; Q23-V26 PolarHBondContact O-N 3.13Å; K24-V26 PolarHBondContact O-N 3.4Å; V26-L29 PolarHBondContact O-N 2.96Å; V26-K30 HydrophobicContact CG1-CG 4.48Å; V26-K30 WeakPolarHBondContact O-CG 3.3Å; V26-K30 PolarHBondContact O-N 3.16Å
27L94.1Very high94.8Very high5 Ų586.5 Ų86.53%0.02642%0.415CS..Hα-helixtrans-58.4-49.717717363.5000111.6L2 I5 V11 L16 L19 Q23 K24 R25 L29 K30 M31L2-L27 HydrophobicContact CD1-CD1 3.36Å; I5-L27 HydrophobicContact CG2-CD1 3.96Å; V11-L27 HydrophobicContact CG2-CD2 4.49Å; L16-L27 HydrophobicContact CD1-CD2 3.91Å; L19-L27 HydrophobicContact CD1-CD2 3.89Å; Q23-L27 VanDerWaalsContact O-CB 3.26Å; Q23-L27 WeakPolarHBondContact O-CB 3.47Å; Q23-L27 PolarHBondContact O-N 2.8Å; K24-L27 PolarHBondContact O-N 2.81Å; R25-L27 VanDerWaalsContact C-N 3.34Å; R25-L27 PolarHBondContact O-N 3.16Å; L27-L29 VanDerWaalsContact C-N 3.34Å; L27-L29 PolarHBondContact O-N 2.73Å; L27-K30 PolarHBondContact O-N 2.88Å; L27-M31 HydrophobicContact CD1-CG 4.14Å; L27-M31 HydrophobicContact CD1-SD 4.11Å; L27-M31 HydrophobicContact CG-CG 4.49Å; L27-M31 HydrophobicContact CG-SD 4.07Å; L27-M31 WeakPolarHBondContact O-CB 3.41Å; L27-M31 WeakPolarHBondContact O-CG 3.36Å; L27-M31 PolarHBondContact O-N 2.93Å
28F94.4Very high94.9Very high105 Ų10582.6 Ų82.646%0.46139%0.394SS..Hα-helixtrans-65-36.9-179.5-67.8-48.4000112.8L16 K24 R25 M31 R32L16-F28 HydrophobicContact CD1-CE1 4.35Å; L16-F28 HydrophobicContact CD1-CZ 3.92Å; L16-F28 HydrophobicContact CD2-CZ 4.11Å; K24-F28 HydrophobicContact CB-CD2 4.47Å; K24-F28 HydrophobicContact CB-CE2 4.11Å; K24-F28 WeakPolarHBondContact O-CD2 3.35Å; K24-F28 WeakPolarHBondContact O-CG 2.75Å; K24-F28 PolarHBondContact O-N 2.94Å; R25-F28 PolarHBondContact O-N 3.29Å; F28-M31 HydrophobicContact CD1-SD 4.38Å; F28-M31 PolarHBondContact O-N 3.22Å; F28-R32 WeakPolarHBondContact O-CB 2.76Å; F28-R32 PolarHBondContact O-N 3.16Å
29L95.6Very high95Very high112 Ų11285 Ų8559%0.58638%0.384SS*.Hα-helixtrans-60-48.9172.8-72.8171.4000111R25 V26 L27 M31 R32 E33R25-L29 WeakPolarHBondContact O-CG 3.31Å; R25-L29 PolarHBondContact O-N 3.13Å; V26-L29 PolarHBondContact O-N 2.96Å; L27-L29 VanDerWaalsContact C-N 3.34Å; L27-L29 PolarHBondContact O-N 2.73Å; L29-M31 PolarHBondContact O-N 3.41Å; L29-R32 PolarHBondContact O-N 3.26Å; L29-R32 VanDerWaalsContact O-N 3.16Å; L29-E33 WeakPolarHBondContact O-CG 3.36Å; L29-E33 PolarHBondContact O-N 2.75Å
30K94.9Very high95.1Very high89 Ų8990.3 Ų90.339%0.38740%0.401SS..Hα-helixtrans-64.5-39.4178.9-70.7-74.5159.6-150.70112.7L6 V26 L27 R32 E33 E34L6-K30 HydrophobicContact CD1-CB 4.32Å; L6-K30 HydrophobicContact CD2-CB 3.82Å; V26-K30 HydrophobicContact CG1-CG 4.48Å; V26-K30 WeakPolarHBondContact O-CG 3.3Å; V26-K30 PolarHBondContact O-N 3.16Å; L27-K30 PolarHBondContact O-N 2.88Å; K30-R32 VanDerWaalsContact C-N 3.32Å; K30-R32 PolarHBondContact O-N 3.22Å; K30-E33 WeakPolarHBondContact CD-OE2 3.42Å; K30-E33 IonicContact NZ-OE1 3.72Å; K30-E33 IonicContact NZ-OE2 2.75Å; K30-E33 PolarHBondContact NZ-OE2 3.43Å; K30-E33 PolarHBondContact O-N 3.1Å; K30-E34 WeakPolarHBondContact O-CB 3.37Å; K30-E34 PolarHBondContact O-N 3.01Å
31M95Very high95Very high22 Ų2291.2 Ų91.211%0.10840%0.404CS..Hα-helixtrans-61.4-42.4173.1-78-1787600111.2I5 L6 M9 L27 F28 L29 E34 Q35I5-M31 HydrophobicContact CG2-SD 4.24Å; L6-M31 HydrophobicContact CD2-CG 3.87Å; M9-M31 HydrophobicContact CE-CB 3.75Å; M9-M31 HydrophobicContact CE-CE 3.64Å; M9-M31 HydrophobicContact CE-CG 4.08Å; M9-M31 WeakPolarHBondContact CE-O 3.36Å; M9-M31 VanDerWaalsContact O-CE 3.27Å; M9-M31 WeakPolarHBondContact O-CE 3.26Å; L27-M31 HydrophobicContact CD1-CG 4.14Å; L27-M31 HydrophobicContact CD1-SD 4.11Å; L27-M31 HydrophobicContact CG-CG 4.49Å; L27-M31 HydrophobicContact CG-SD 4.07Å; L27-M31 WeakPolarHBondContact O-CB 3.41Å; L27-M31 WeakPolarHBondContact O-CG 3.36Å; L27-M31 PolarHBondContact O-N 2.93Å; F28-M31 HydrophobicContact CD1-SD 4.38Å; F28-M31 PolarHBondContact O-N 3.22Å; L29-M31 PolarHBondContact O-N 3.41Å; M31-E34 PolarHBondContact O-N 2.85Å; M31-Q35 WeakPolarHBondContact O-CG 3.5Å; M31-Q35 PolarHBondContact O-N 3.37Å
32R96.7Very high94.8Very high157 Ų15792 Ų9259%0.59240%0.401SS*.Hα-helixtrans-66.4-45.4179-174.357.4176.6178.2-0.4111.9F28 L29 K30 E34 Q35 V36F28-R32 WeakPolarHBondContact O-CB 2.76Å; F28-R32 PolarHBondContact O-N 3.16Å; L29-R32 PolarHBondContact O-N 3.26Å; L29-R32 VanDerWaalsContact O-N 3.16Å; K30-R32 VanDerWaalsContact C-N 3.32Å; K30-R32 PolarHBondContact O-N 3.22Å; R32-E34 VanDerWaalsContact C-N 3.25Å; R32-E34 PolarHBondContact O-N 3.03Å; R32-Q35 PolarHBondContact O-N 3.45Å; R32-V36 WeakPolarHBondContact O-CG2 3.45Å; R32-V36 PolarHBondContact O-N 2.92Å
33E95.8Very high94.6Very high104 Ų10491.2 Ų91.249%0.48640%0.398SS..Hα-helixtrans-53.8-46.2173.4-73.2171.3-176.300110.9L29 K30 V36 R37L29-E33 WeakPolarHBondContact O-CG 3.36Å; L29-E33 PolarHBondContact O-N 2.75Å; K30-E33 WeakPolarHBondContact CD-OE2 3.42Å; K30-E33 IonicContact NZ-OE1 3.72Å; K30-E33 IonicContact NZ-OE2 2.75Å; K30-E33 PolarHBondContact NZ-OE2 3.43Å; K30-E33 PolarHBondContact O-N 3.1Å; E33-V36 PolarHBondContact O-N 2.79Å; E33-R37 WeakPolarHBondContact O-CB 3.38Å; E33-R37 PolarHBondContact O-N 3.37Å
34E95.6Very high94.3Very high35 Ų3591 Ų9116%0.16440%0.397CS..Hα-helixtrans-68.8-39.3-178.3-178.957.3-163.900112.7M9 K30 M31 R32 V36 R37 R38M9-E34 HydrophobicContact SD-CB 4.05Å; M9-E34 HydrophobicContact SD-CG 3.86Å; K30-E34 WeakPolarHBondContact O-CB 3.37Å; K30-E34 PolarHBondContact O-N 3.01Å; M31-E34 PolarHBondContact O-N 2.85Å; R32-E34 VanDerWaalsContact C-N 3.25Å; R32-E34 PolarHBondContact O-N 3.03Å; E34-V36 VanDerWaalsContact C-N 3.32Å; E34-V36 PolarHBondContact O-N 2.92Å; E34-R37 PolarHBondContact O-N 3.41Å; E34-R37 IonicContact OE1-CZ 3.58Å; E34-R37 IonicContact OE1-NE 3.61Å; E34-R37 IonicContact OE1-NH2 2.72Å; E34-R37 PolarHBondContact OE1-NH2 3.33Å; E34-R37 IonicContact OE2-CZ 3.54Å; E34-R37 IonicContact OE2-NE 2.79Å; E34-R37 PolarHBondContact OE2-NE 3.32Å; E34-R37 IonicContact OE2-NH2 3.43Å; E34-R37 PolarHBondContact OE2-NH2 3.37Å; E34-R38 WeakPolarHBondContact O-CB 3.04Å; E34-R38 WeakPolarHBondContact O-CG 3.47Å; E34-R38 PolarHBondContact O-N 2.99Å; E34-R38 IonicContact OE1-CZ 3.42Å; E34-R38 IonicContact OE1-NE 2.77Å; E34-R38 PolarHBondContact OE1-NE 3.16Å; E34-R38 IonicContact OE1-NH2 3.13Å; E34-R38 PolarHBondContact OE1-NH2 3.47Å; E34-R38 VanDerWaalsContact OE1-NH2 3.13Å
35Q94.8Very high94Very high84 Ų8494.9 Ų94.939%0.39341%0.414SS..Hα-helixtrans-56.7-48.7171.4-74.8175.5-7.800111.2M9 M31 R32 R38 W39M9-Q35 HydrophobicContact CE-CG 3.38Å; M9-Q35 HydrophobicContact SD-CG 4.23Å; M31-Q35 WeakPolarHBondContact O-CG 3.5Å; M31-Q35 PolarHBondContact O-N 3.37Å; R32-Q35 PolarHBondContact O-N 3.45Å; Q35-R38 PolarHBondContact O-N 3.49Å; Q35-W39 VanDerWaalsContact O-CB 3.31Å; Q35-W39 WeakPolarHBondContact O-CB 3.32Å; Q35-W39 PolarHBondContact O-N 3.23Å
36V96.1Very high93.4Very high37 Ų3793.7 Ų93.722%0.22442%0.415CS..Hα-helixtrans-66.4-41.4-178176.10000110.2R32 E33 E34 W39 R40R32-V36 WeakPolarHBondContact O-CG2 3.45Å; R32-V36 PolarHBondContact O-N 2.92Å; E33-V36 PolarHBondContact O-N 2.79Å; E34-V36 VanDerWaalsContact C-N 3.32Å; E34-V36 PolarHBondContact O-N 2.92Å; V36-W39 PolarHBondContact O-N 3.44Å; V36-R40 HydrophobicContact CG1-CG 4.46Å; V36-R40 VanDerWaalsContact CG1-CZ 3.46Å; V36-R40 WeakPolarHBondContact O-CG 3.49Å; V36-R40 PolarHBondContact O-N 3.36Å
37R96.7Very high92.6Very high115 Ų11595.3 Ų95.343%0.43442%0.418SS..Hα-helixtrans-60.1-49.1175.7-168.6-162.866.775.11.5111.5E33 E34 W39 R40 V41E33-R37 WeakPolarHBondContact O-CB 3.38Å; E33-R37 PolarHBondContact O-N 3.37Å; E34-R37 PolarHBondContact O-N 3.41Å; E34-R37 IonicContact OE1-CZ 3.58Å; E34-R37 IonicContact OE1-NE 3.61Å; E34-R37 IonicContact OE1-NH2 2.72Å; E34-R37 PolarHBondContact OE1-NH2 3.33Å; E34-R37 IonicContact OE2-CZ 3.54Å; E34-R37 IonicContact OE2-NE 2.79Å; E34-R37 PolarHBondContact OE2-NE 3.32Å; E34-R37 IonicContact OE2-NH2 3.43Å; E34-R37 PolarHBondContact OE2-NH2 3.37Å; R37-W39 VanDerWaalsContact C-N 3.32Å; R37-W39 PolarHBondContact O-N 3.07Å; R37-R40 PolarHBondContact O-N 2.93Å; R37-V41 VanDerWaalsContact O-CG2 3.28Å; R37-V41 WeakPolarHBondContact O-CG2 3.4Å; R37-V41 PolarHBondContact O-N 3.46Å
38R94.5Very high91.8Very high72 Ų72102.9 Ų102.927%0.27245%0.446SS..Hα-helixtrans-62-39.8176.7-72.5179.6-171.6-167.93.6112.6L6 K7 E34 Q35 R42L6-R38 PolarHBondContact O-NH2 2.85Å; K7-R38 VanDerWaalsContact CA-NH2 3.34Å; K7-R38 VanDerWaalsContact O-CZ 3.23Å; K7-R38 PolarHBondContact O-NH1 3.45Å; K7-R38 PolarHBondContact O-NH2 3.46Å; E34-R38 WeakPolarHBondContact O-CB 3.04Å; E34-R38 WeakPolarHBondContact O-CG 3.47Å; E34-R38 PolarHBondContact O-N 2.99Å; E34-R38 IonicContact OE1-CZ 3.42Å; E34-R38 IonicContact OE1-NE 2.77Å; E34-R38 PolarHBondContact OE1-NE 3.16Å; E34-R38 IonicContact OE1-NH2 3.13Å; E34-R38 PolarHBondContact OE1-NH2 3.47Å; E34-R38 VanDerWaalsContact OE1-NH2 3.13Å; Q35-R38 PolarHBondContact O-N 3.49Å; R38-R42 WeakPolarHBondContact O-CB 3.4Å; R38-R42 PolarHBondContact O-N 2.9Å
39W93.7Very high90.8Very high139 Ų139102.1 Ų102.153%0.52744%0.444SS..Hα-helixtrans-62.5-51.5176.6176.767.3000110.7Q35 V36 R37 V41 R42 E43Q35-W39 VanDerWaalsContact O-CB 3.31Å; Q35-W39 WeakPolarHBondContact O-CB 3.32Å; Q35-W39 PolarHBondContact O-N 3.23Å; V36-W39 PolarHBondContact O-N 3.44Å; R37-W39 VanDerWaalsContact C-N 3.32Å; R37-W39 PolarHBondContact O-N 3.07Å; W39-V41 VanDerWaalsContact C-N 3.34Å; W39-V41 PolarHBondContact O-N 3.3Å; W39-R42 PolarHBondContact O-N 3.49Å; W39-E43 HydrophobicContact CD2-CG 4.1Å; W39-E43 HydrophobicContact CG-CG 4.49Å; W39-E43 HydrophobicContact CH2-CG 4.4Å; W39-E43 HydrophobicContact CZ2-CG 3.77Å; W39-E43 PolarHBondContact NE1-OE1 3.44Å; W39-E43 WeakPolarHBondContact O-CG 3.44Å; W39-E43 PolarHBondContact O-N 3.28Å
40R93.6Very high89.2Confident157 Ų15797.5 Ų97.559%0.59242%0.424SS*.Hα-helixtrans-57.9-43.1176.8-71.2-171.6-147.3128.6-1.8113V36 R37 R42 E43 E44V36-R40 HydrophobicContact CG1-CG 4.46Å; V36-R40 VanDerWaalsContact CG1-CZ 3.46Å; V36-R40 WeakPolarHBondContact O-CG 3.49Å; V36-R40 PolarHBondContact O-N 3.36Å; R37-R40 PolarHBondContact O-N 2.93Å; R40-R42 VanDerWaalsContact C-N 3.28Å; R40-R42 PolarHBondContact O-N 3.09Å; R40-E43 PolarHBondContact O-N 3.04Å; R40-E44 WeakPolarHBondContact O-CB 3.26Å; R40-E44 PolarHBondContact O-N 3.36Å
41V93.8Very high87.4Confident72 Ų72100.9 Ų100.944%0.43643%0.434SS..Hα-helixtrans-62-38.7177168.90000111.2R37 W39 K45R37-V41 VanDerWaalsContact O-CG2 3.28Å; R37-V41 WeakPolarHBondContact O-CG2 3.4Å; R37-V41 PolarHBondContact O-N 3.46Å; W39-V41 VanDerWaalsContact C-N 3.34Å; W39-V41 PolarHBondContact O-N 3.3Å; V41-K45 VanDerWaalsContact O-CB 3.3Å; V41-K45 WeakPolarHBondContact O-CB 3.27Å; V41-K45 PolarHBondContact O-N 3.31Å
42R92.3Very high85.6Confident148 Ų148103.9 Ų103.956%0.55845%0.453SS*.Hα-helixtrans-70.7-40.8177.8-155.3-176.6-59.4110.8-2.3111.5R38 W39 R40 K45 E46R38-R42 WeakPolarHBondContact O-CB 3.4Å; R38-R42 PolarHBondContact O-N 2.9Å; W39-R42 PolarHBondContact O-N 3.49Å; R40-R42 VanDerWaalsContact C-N 3.28Å; R40-R42 PolarHBondContact O-N 3.09Å; R42-K45 PolarHBondContact O-N 2.85Å; R42-E46 WeakPolarHBondContact O-CB 3.37Å; R42-E46 PolarHBondContact O-N 3.13Å
43E90.4Very high83.6Confident92 Ų92100.6 Ų100.643%0.4345%0.448SS..Hα-helixtrans-60.2-47.1173.6-71.2-70.8120.100111.4W39 R40 K45 E46 E47W39-E43 HydrophobicContact CD2-CG 4.1Å; W39-E43 HydrophobicContact CG-CG 4.49Å; W39-E43 HydrophobicContact CH2-CG 4.4Å; W39-E43 HydrophobicContact CZ2-CG 3.77Å; W39-E43 PolarHBondContact NE1-OE1 3.44Å; W39-E43 WeakPolarHBondContact O-CG 3.44Å; W39-E43 PolarHBondContact O-N 3.28Å; R40-E43 PolarHBondContact O-N 3.04Å; E43-K45 VanDerWaalsContact C-N 3.34Å; E43-K45 PolarHBondContact O-N 3.29Å; E43-E46 PolarHBondContact O-N 2.79Å; E43-E47 WeakPolarHBondContact O-CB 3.38Å; E43-E47 PolarHBondContact O-N 2.82Å
44E89.1Confident81.6Confident100 Ų100105.3 Ų105.347%0.46746%0.461SS..Hα-helixtrans-63.3-41.9177.9-172.8-169.2168.100111.5R40 E47 R48R40-E44 WeakPolarHBondContact O-CB 3.26Å; R40-E44 PolarHBondContact O-N 3.36Å; E44-E47 PolarHBondContact O-N 2.86Å; E44-R48 WeakPolarHBondContact O-CB 3.39Å; E44-R48 PolarHBondContact O-N 2.93Å; E44-R48 IonicContact OE1-CZ 2.85Å; E44-R48 IonicContact OE1-NH2 3.8Å; E44-R48 PolarHBondContact OE1-NH2 2.69Å
45K88.4Confident79.6Confident123 Ų123110.5 Ų110.554%0.53549%0.49SS..Hα-helixtrans-62.9-44.7176.5-175.2174.5179177.10111.2V41 R42 E43 E47 R48 E49V41-K45 VanDerWaalsContact O-CB 3.3Å; V41-K45 WeakPolarHBondContact O-CB 3.27Å; V41-K45 PolarHBondContact O-N 3.31Å; R42-K45 PolarHBondContact O-N 2.85Å; E43-K45 VanDerWaalsContact C-N 3.34Å; E43-K45 PolarHBondContact O-N 3.29Å; K45-E47 VanDerWaalsContact C-N 3.33Å; K45-R48 PolarHBondContact O-N 3.41Å; K45-E49 WeakPolarHBondContact CE-OE1 3.32Å; K45-E49 HydrophobicContact CG-CG 4.34Å; K45-E49 IonicContact NZ-OE1 3.79Å; K45-E49 VanDerWaalsContact O-CB 3.27Å; K45-E49 WeakPolarHBondContact O-CB 3.38Å; K45-E49 VanDerWaalsContact O-CG 3.31Å; K45-E49 WeakPolarHBondContact O-CG 3.31Å; K45-E49 PolarHBondContact O-N 3.41Å
46E80Confident77.7Confident128 Ų128111.3 Ų111.360%0.59850%0.501SS*.Hα-helixtrans-69.2-30.4176.6-175.4164.9-159.800112.4R42 E43 G50R42-E46 WeakPolarHBondContact O-CB 3.37Å; R42-E46 PolarHBondContact O-N 3.13Å; E43-E46 PolarHBondContact O-N 2.79Å; E46-G50 WeakPolarHBondContact O-CA 3.11Å; E46-G50 PolarHBondContact O-N 3.39Å
47E79.3Confident75.9Confident106 Ų106117.7 Ų117.750%0.49553%0.525SS..Hα-helixtrans-66.7-47.3172.2-173.2-179.4-170.400110.9E43 E44 K45 R51E43-E47 WeakPolarHBondContact O-CB 3.38Å; E43-E47 PolarHBondContact O-N 2.82Å; E44-E47 PolarHBondContact O-N 2.86Å; K45-E47 VanDerWaalsContact C-N 3.33Å; E47-R51 WeakPolarHBondContact O-CB 3.24Å; E47-R51 VanDerWaalsContact O-CG 3.24Å; E47-R51 WeakPolarHBondContact O-CG 3.46Å; E47-R51 PolarHBondContact O-N 2.87Å; E47-R51 IonicContact OE1-CZ 2.86Å; E47-R51 IonicContact OE1-NE 3.81Å; E47-R51 PolarHBondContact OE1-NE 3.45Å; E47-R51 IonicContact OE1-NH2 2.74Å; E47-R51 PolarHBondContact OE1-NH2 3.08Å
48R77.1Confident74Confident163 Ų163117.5 Ų117.562%0.61554%0.539SS*.Hα-helixtrans-65.2-47.8178.9-171.9170.9-65.415712.4111.7E44 K45 T52E44-R48 WeakPolarHBondContact O-CB 3.39Å; E44-R48 PolarHBondContact O-N 2.93Å; E44-R48 IonicContact OE1-CZ 2.85Å; E44-R48 IonicContact OE1-NH2 3.8Å; E44-R48 PolarHBondContact OE1-NH2 2.69Å; K45-R48 PolarHBondContact O-N 3.41Å; R48-T52 PolarHBondContact O-N 3.38Å; R48-T52 PolarHBondContact O-OG1 3.31Å
49E72.7Confident72.3Confident89 Ų89123.9 Ų123.942%0.41657%0.569SS.*Hα-helixtrans-72.2-38.5178.4-68.8179-179.800111.6K45 R51 T52 N53K45-E49 WeakPolarHBondContact CE-OE1 3.32Å; K45-E49 HydrophobicContact CG-CG 4.34Å; K45-E49 IonicContact NZ-OE1 3.79Å; K45-E49 VanDerWaalsContact O-CB 3.27Å; K45-E49 WeakPolarHBondContact O-CB 3.38Å; K45-E49 VanDerWaalsContact O-CG 3.31Å; K45-E49 WeakPolarHBondContact O-CG 3.31Å; K45-E49 PolarHBondContact O-N 3.41Å; E49-R51 VanDerWaalsContact C-N 3.32Å; E49-R51 PolarHBondContact O-N 3.05Å; E49-T52 CarbonylContact O-C 3.5Å; E49-T52 PolarHBondContact O-N 3.01Å; E49-T52 VanDerWaalsContact O-N 3.08Å; E49-N53 VanDerWaalsContact O-CB 3.26Å; E49-N53 WeakPolarHBondContact O-CB 3.43Å; E49-N53 PolarHBondContact O-N 2.88Å; E49-N53 PolarHBondContact O-ND2 2.84Å
50G62.2Low70.6Confident16 Ų16125.4 Ų125.417%0.16558%0.579CS.*Hα-helixtrans-68.1-26.3178.700000113.7E46 R54E46-G50 WeakPolarHBondContact O-CA 3.11Å; E46-G50 PolarHBondContact O-N 3.39Å; G50-R54 WeakPolarHBondContact O-CD 3.18Å; G50-R54 WeakPolarHBondContact O-CG 3.48Å; G50-R54 PolarHBondContact O-N 2.79Å; G50-R54 PolarHBondContact O-NE 3.3Å
51R57.6Low68.9Low160 Ų160123.3 Ų123.360%0.60460%0.596SS**Hα-helixtrans-71.5-38.3167.4-74.1171.5-174-118.37.1111.5E47 E49E47-R51 WeakPolarHBondContact O-CB 3.24Å; E47-R51 VanDerWaalsContact O-CG 3.24Å; E47-R51 WeakPolarHBondContact O-CG 3.46Å; E47-R51 PolarHBondContact O-N 2.87Å; E47-R51 IonicContact OE1-CZ 2.86Å; E47-R51 IonicContact OE1-NE 3.81Å; E47-R51 PolarHBondContact OE1-NE 3.45Å; E47-R51 IonicContact OE1-NH2 2.74Å; E47-R51 PolarHBondContact OE1-NH2 3.08Å; E49-R51 VanDerWaalsContact C-N 3.32Å; E49-R51 PolarHBondContact O-N 3.05Å
52T57.4Low67.4Low84 Ų84124.4 Ų124.452%0.51561%0.606SS.*Hα-helixtrans-75.2-36.4-178.4-43.20000112.4R48 E49 T56R48-T52 PolarHBondContact O-N 3.38Å; R48-T52 PolarHBondContact O-OG1 3.31Å; E49-T52 CarbonylContact O-C 3.5Å; E49-T52 PolarHBondContact O-N 3.01Å; E49-T52 VanDerWaalsContact O-N 3.08Å; T52-T56 PolarHBondContact O-OG1 2.88Å; T52-T56 VanDerWaalsContact O-OG1 3.13Å
53N54Low66.1Low89 Ų89121.6 Ų121.648%0.47661%0.609SS.*Hα-helixtrans-80.5-17.5-177.2-66-27.7000113.9E49 N55E49-N53 VanDerWaalsContact O-CB 3.26Å; E49-N53 WeakPolarHBondContact O-CB 3.43Å; E49-N53 PolarHBondContact O-N 2.88Å; E49-N53 PolarHBondContact O-ND2 2.84Å; N53-N55 VanDerWaalsContact C-N 3.34Å
54R54.7Low65.6Low202 Ų202127 Ų12776%0.76263%0.631SS**Hα-helixtrans-72.3-27.9174.5-82.3178.9-130.5-137.46.2112.6G50G50-R54 WeakPolarHBondContact O-CD 3.18Å; G50-R54 WeakPolarHBondContact O-CG 3.48Å; G50-R54 PolarHBondContact O-N 2.79Å; G50-R54 PolarHBondContact O-NE 3.3Å
55N53.6Low64.8Low144 Ų144130.4 Ų130.477%0.7765%0.647SS**Hα-helixtrans-93.8-14.8-174.6-66.3-9.4000113.7N53N53-N55 VanDerWaalsContact C-N 3.34Å
56T53.7Low64.5Low102 Ų102131 Ų13163%0.62666%0.661SS**Hα-helixtrans-122.8-7.4-168.655.10000115.4T52 P58T52-T56 PolarHBondContact O-OG1 2.88Å; T52-T56 VanDerWaalsContact O-OG1 3.13Å; T56-P58 WeakPolarHBondContact O-CD 3.48Å
57K60.1Low64.8Low170 Ų170129.7 Ų129.774%0.73967%0.666SS**SBendtrans-92.8118.5-179.8-151155.1-171.7163.50110.8K59K57-K59 PolarHBondContact O-N 3.06Å
58P55.5Low65.4Low111 Ų111134.1 Ų134.172%0.72168%0.678SS**  trans-59128.2171.823.1-30.5000108.3T56 K60T56-P58 WeakPolarHBondContact O-CD 3.48Å; P58-K60 PolarHBondContact O-N 3.41Å
59K58.3Low65.8Low207 Ų207129.9 Ų129.990%0.967%0.667SS**  trans-49.5100.8178.8-80.2176.4173.1173.10108.9K57 A61K57-K59 PolarHBondContact O-N 3.06Å; K59-A61 PolarHBondContact O-N 2.97Å
60K58.6Low66.7Low170 Ų170130.4 Ų130.474%0.73967%0.672SS**  trans-62.8125.3173-163.7160.3-174.31700106P58 S62 S63P58-K60 PolarHBondContact O-N 3.41Å; K60-S62 PolarHBondContact O-N 3.35Å; K60-S63 PolarHBondContact O-N 3.37Å
61A59Low67.9Low114 Ų114131.9 Ų131.994%0.94268%0.68SS**THydrogen-bonded Turntrans-59.28.6-169.400000116.2K59K59-A61 PolarHBondContact O-N 2.97Å
62S61.3Low69.3Low94 Ų94135.5 Ų135.566%0.65769%0.694SS**THydrogen-bonded Turntrans-145.133.8178.678.70000113.6K60 K64K60-S62 PolarHBondContact O-N 3.35Å; S62-K64 PolarHBondContact O-N 2.89Å
63S65.6Low70.8Confident89 Ų89137.2 Ų137.262%0.62270%0.7SS**  trans-71.794.8170.560.20000109.4K60 Q65K60-S63 PolarHBondContact O-N 3.37Å; S63-Q65 PolarHBondContact O-N 3.45Å
64K79.8Confident72.4Confident206 Ų206135.1 Ų135.190%0.89670%0.7SS**  trans-63.8114.9167.9-62.1-179.8-177.9-177.80107.2S62S62-K64 PolarHBondContact O-N 2.89Å
65Q71.6Confident74.1Confident171 Ų171131 Ų13180%0.79969%0.693SS**  trans-106.5135.3176.6-177.2176.3-1100108.5S63S63-Q65 PolarHBondContact O-N 3.45Å
66V83.2Confident76Confident137 Ų137127.9 Ų127.983%0.8368%0.678SS**  trans-97.8123.9173.2178.40000107.2
67S85.1Confident77.6Confident99 Ų99124.9 Ų124.969%0.69266%0.662SS**  trans-120.4140.8171.455.90000108.8L69S67-L69 PolarHBondContact O-N 3.33Å
68W92.5Very high78.9Confident200 Ų200123 Ų12376%0.75866%0.664SS**PPolyproline II helixtrans-63.9131.6169.5-61114.5000109.3L70 V76W68-L70 HydrophobicContact CB-CD2 4.42Å; W68-L70 PolarHBondContact O-N 2.89Å; W68-V76 HydrophobicContact CB-CG1 4.41Å; W68-V76 HydrophobicContact CB-CG2 4.34Å; W68-V76 HydrophobicContact CE3-CG1 4.08Å
69L85.9Confident80.2Confident74 Ų74121.8 Ų121.839%0.38766%0.655SS.*PPolyproline II helixtrans-73.8125.7168.1-179.966.3000107.4S67 S77 L100S67-L69 PolarHBondContact O-N 3.33Å; L69-S77 WeakPolarHBondContact O-CB 3.17Å; L69-S77 PolarHBondContact O-N 3.04Å; L69-L100 HydrophobicContact CD1-CD2 3.85Å; L69-L100 HydrophobicContact CD2-CD1 4.47Å; L69-L100 HydrophobicContact CD2-CD2 3.44Å; L69-L100 VanDerWaalsContact CD2-CD2 3.44Å; L69-L100 HydrophobicContact CG-CD2 4.31Å
70L90.9Very high81.3Confident99 Ų99117.7 Ų117.752%0.51864%0.642SS.*BIsolated β-bridgetrans-97.8139.9175.3-55.1-178000109.4W68 D75 V76W68-L70 HydrophobicContact CB-CD2 4.42Å; W68-L70 PolarHBondContact O-N 2.89Å; L70-D75 CarbonylContact C-O 3.59Å; L70-D75 VanDerWaalsContact CA-O 3.31Å; L70-D75 WeakPolarHBondContact CA-O 3.44Å; L70-V76 HydrophobicContact CD2-CG2 4.28Å
71S87.7Confident82.2Confident47 Ų47117 Ų11733%0.32964%0.644SS.*PPolyproline II helixtrans-70.9172169.2-610000109.9D73 G74 D75S71-D73 PolarHBondContact O-N 2.92Å; S71-D73 VanDerWaalsContact O-N 3.09Å; S71-G74 PolarHBondContact O-N 3.41Å; S71-D75 PolarHBondContact N-O 2.81Å
72R87.4Confident82.9Confident236 Ų236114.7 Ų114.789%0.89163%0.632SS**THydrogen-bonded Turntrans-54.8-30.4176.7-170.2-175.869-172.90.9112.7G74R72-G74 PolarHBondContact O-N 3.15Å
73D87.8Confident82.8Confident121 Ų121117.7 Ų117.765%0.64764%0.636SS**THydrogen-bonded Turntrans-84.52.1-177.5-46.8-50.6000112.8S71 D75S71-D73 PolarHBondContact O-N 2.92Å; S71-D73 VanDerWaalsContact O-N 3.09Å; D73-D75 VanDerWaalsContact C-N 3.28Å; D73-D75 PolarHBondContact O-N 2.79Å
74G89.3Confident82.5Confident45 Ų45117.5 Ų117.546%0.46463%0.63SS.*SBendtrans84.8-6.1179.400000114.8S71 R72S71-G74 PolarHBondContact O-N 3.41Å; R72-G74 PolarHBondContact O-N 3.15Å
75D90.2Very high81.4Confident116 Ų116113 Ų11362%0.6262%0.616SS**SBendtrans-81.6158176.1-70-33.7000112.9L70 S71 D73 S77L70-D75 CarbonylContact C-O 3.59Å; L70-D75 VanDerWaalsContact CA-O 3.31Å; L70-D75 WeakPolarHBondContact CA-O 3.44Å; S71-D75 PolarHBondContact N-O 2.81Å; D73-D75 VanDerWaalsContact C-N 3.28Å; D73-D75 PolarHBondContact O-N 2.79Å; D75-S77 PolarHBondContact O-N 3.46Å
76V91.8Very high80.7Confident77 Ų77112.6 Ų112.647%0.46761%0.614SS.*BIsolated β-bridgetrans-64.2127.6179.3-178.90000111.2W68 L70W68-V76 HydrophobicContact CB-CG1 4.41Å; W68-V76 HydrophobicContact CB-CG2 4.34Å; W68-V76 HydrophobicContact CE3-CG1 4.08Å; L70-V76 HydrophobicContact CD2-CG2 4.28Å
77S88.4Confident79.3Confident39 Ų39115 Ų11527%0.27361%0.614SS.*PPolyproline II helixtrans-79.3125.9178.1-1710000111.3L69 D75L69-S77 WeakPolarHBondContact O-CB 3.17Å; L69-S77 PolarHBondContact O-N 3.04Å; D75-S77 PolarHBondContact O-N 3.46Å
78V87.5Confident77.7Confident131 Ų131119.8 Ų119.879%0.79462%0.617SS**  trans-111.9127.5175.7-177.70000108.6
79T81.6Confident75.9Confident85 Ų85111.8 Ų111.852%0.52159%0.591SS.*  trans-127.7130.7174.2-59.80000109.3
80I82.8Confident74.5Confident122 Ų122112.5 Ų112.563%0.62660%0.602SS**  trans-80.5118.8175.5-57.5174.5000108.1E83I80-E83 HydrophobicContact CG2-CB 4.32Å
81I76.6Confident73Confident154 Ų154115.2 Ų115.279%0.7961%0.61SS**THydrogen-bonded Turntrans-86.8118.6174.5-59.5170.6000107.6
82G73.4Confident71.6Confident67 Ų67116.8 Ų116.869%0.69162%0.618SS**THydrogen-bonded Turntrans110.46.4170.600000117.2V84G82-V84 VanDerWaalsContact C-N 3.25Å; G82-V84 PolarHBondContact O-N 3.42Å
83E60.6Low70.3Confident157 Ų157109.8 Ų109.873%0.73460%0.597SS**SBendtrans-77.8-10.2176.6-155.5175.8-172.600113.3I80I80-E83 HydrophobicContact CG2-CB 4.32Å
84V59.1Low69Low84 Ų84109.3 Ų109.351%0.50959%0.591SS.*SBendtrans-114.2125.5169.21740000108.6G82 E86 R88G82-V84 VanDerWaalsContact C-N 3.25Å; G82-V84 PolarHBondContact O-N 3.42Å; V84-E86 PolarHBondContact O-N 3.45Å; V84-R88 HydrophobicContact CG1-CB 4.44Å
85D55.4Low67.7Low113 Ų113111.7 Ų111.760%0.60459%0.593SS**  trans-31.7123.7179.1-172.618.6000112.8F87 R88D85-F87 PolarHBondContact O-N 3.01Å; D85-R88 PolarHBondContact O-N 3.03Å
86E58.4Low66.4Low161 Ų161109.1 Ų109.175%0.75258%0.577SS**THydrogen-bonded Turntrans-58.5-15.4-164.3-161167.1-175.100112.7V84 S89V84-E86 PolarHBondContact O-N 3.45Å; E86-S89 PolarHBondContact O-OG 2.74Å
87F52Low65Low188 Ų188109.9 Ų109.983%0.82558%0.577SS**THydrogen-bonded Turntrans-89.8-11.1178.2-65.7-80.6000115.9D85D85-F87 PolarHBondContact O-N 3.01Å
88R52.1Low63.9Low200 Ų200111.9 Ų111.976%0.75559%0.585SS**THydrogen-bonded Turntrans-103.6-2171.3-68.5-85.6-100.8-162-6.4112.7V84 D85 S90V84-R88 HydrophobicContact CG1-CB 4.44Å; D85-R88 PolarHBondContact O-N 3.03Å; R88-S90 PolarHBondContact O-N 3.22Å
89S54.5Low62.5Low31 Ų31113.7 Ų113.722%0.21758%0.577CS.*Hα-helixtrans-72.6-25.6-168.668.10000115.4E86 K91 V92 L93E86-S89 PolarHBondContact O-OG 2.74Å; S89-K91 PolarHBondContact O-N 3.49Å; S89-V92 PolarHBondContact O-N 3.49Å; S89-L93 WeakPolarHBondContact O-CB 3.23Å; S89-L93 VanDerWaalsContact O-CG 3.32Å; S89-L93 WeakPolarHBondContact O-CG 3.31Å; S89-L93 PolarHBondContact O-N 3.25Å
90S57.9Low61.4Low89 Ų89112.6 Ų112.662%0.62257%0.568SS**Hα-helixtrans-61.5-41-174.8178.20000112.8R88 Q94R88-S90 PolarHBondContact O-N 3.22Å; S90-Q94 WeakPolarHBondContact O-CB 3.35Å; S90-Q94 PolarHBondContact O-N 3.18Å
91K58.5Low60.2Low157 Ų157112 Ų11268%0.68357%0.565SS**Hα-helixtrans-76.5-30.6177.1-66-177.9-178.5179.30112.8S89 N95S89-K91 PolarHBondContact O-N 3.49Å; K91-N95 VanDerWaalsContact O-CB 3.29Å; K91-N95 WeakPolarHBondContact O-CB 3.29Å; K91-N95 PolarHBondContact O-N 2.97Å; K91-N95 PolarHBondContact O-ND2 2.91Å
92V58.3Low59.1Low80 Ų80107 Ų10749%0.48554%0.544SS..Hα-helixtrans-74-44.9179.1177.90000110.6S89 Q94 N95 H96S89-V92 PolarHBondContact O-N 3.49Å; V92-Q94 VanDerWaalsContact C-N 3.34Å; V92-N95 PolarHBondContact O-N 3.06Å; V92-H96 WeakPolarHBondContact O-CB 3.44Å; V92-H96 PolarHBondContact O-N 3.24Å
93L59.7Low58.3Low88 Ų88109.2 Ų109.246%0.46154%0.54SS..Hα-helixtrans-63.5-40171.8-67.4174.4000111S89 H96 M97S89-L93 WeakPolarHBondContact O-CB 3.23Å; S89-L93 VanDerWaalsContact O-CG 3.32Å; S89-L93 WeakPolarHBondContact O-CG 3.31Å; S89-L93 PolarHBondContact O-N 3.25Å; L93-H96 PolarHBondContact O-N 2.76Å; L93-M97 WeakPolarHBondContact O-CB 3.37Å; L93-M97 VanDerWaalsContact O-CG 3.23Å; L93-M97 WeakPolarHBondContact O-CG 3.12Å; L93-M97 PolarHBondContact O-N 2.92Å
94Q61Low57.8Low111 Ų111108.3 Ų108.352%0.51954%0.54SS..Hα-helixtrans-64.5-42.6174.9-171.6175.843.800112S90 V92 M97 N98S90-Q94 WeakPolarHBondContact O-CB 3.35Å; S90-Q94 PolarHBondContact O-N 3.18Å; V92-Q94 VanDerWaalsContact C-N 3.34Å; Q94-M97 PolarHBondContact O-N 2.89Å; Q94-N98 VanDerWaalsContact O-CB 3.31Å; Q94-N98 WeakPolarHBondContact O-CB 3.32Å; Q94-N98 PolarHBondContact O-N 2.86Å; Q94-N98 PolarHBondContact O-ND2 2.7Å; Q94-N98 PolarHBondContact O-OD1 3.26Å
95N61.7Low57.5Low95 Ų95113.7 Ų113.751%0.50855%0.551SS.*Hα-helixtrans-66.2-36.7174.9-76.6-15000112.5K91 V92 N98 R99K91-N95 VanDerWaalsContact O-CB 3.29Å; K91-N95 WeakPolarHBondContact O-CB 3.29Å; K91-N95 PolarHBondContact O-N 2.97Å; K91-N95 PolarHBondContact O-ND2 2.91Å; V92-N95 PolarHBondContact O-N 3.06Å; N95-N98 PolarHBondContact O-N 2.94Å; N95-R99 WeakPolarHBondContact O-CB 3.35Å; N95-R99 WeakPolarHBondContact O-CG 3.4Å; N95-R99 PolarHBondContact O-N 3.07Å
96H62.3Low57.4Low62 Ų62113.4 Ų113.429%0.28755%0.55SS..Hα-helixtrans-64.1-49.3173.3-179.266.2000110.5V92 L93 N98 R99 L100V92-H96 WeakPolarHBondContact O-CB 3.44Å; V92-H96 PolarHBondContact O-N 3.24Å; L93-H96 PolarHBondContact O-N 2.76Å; H96-N98 VanDerWaalsContact C-N 3.3Å; H96-N98 PolarHBondContact O-N 3.19Å; H96-R99 WeakPolarHBondContact O-CB 3.49Å; H96-R99 PolarHBondContact O-N 2.82Å; H96-R99 VanDerWaalsContact O-N 3.14Å; H96-L100 WeakPolarHBondContact O-CG 3.49Å; H96-L100 PolarHBondContact O-N 2.81Å
97M64.1Low56.7Low94 Ų94111.4 Ų111.446%0.46355%0.552SS.*Hα-helixtrans-60.1-37.8174.3-68-63.8108.200112.5L93 Q94 L100 L101L93-M97 WeakPolarHBondContact O-CB 3.37Å; L93-M97 VanDerWaalsContact O-CG 3.23Å; L93-M97 WeakPolarHBondContact O-CG 3.12Å; L93-M97 PolarHBondContact O-N 2.92Å; Q94-M97 PolarHBondContact O-N 2.89Å; M97-L100 HydrophobicContact CE-CD1 3.46Å; M97-L100 VanDerWaalsContact CE-CD1 3.46Å; M97-L100 HydrophobicContact CE-CG 4.49Å; M97-L100 PolarHBondContact O-N 3.19Å; M97-L100 HydrophobicContact SD-CD1 4.22Å; M97-L101 VanDerWaalsContact O-CG 3.29Å; M97-L101 WeakPolarHBondContact O-CG 3.48Å; M97-L101 PolarHBondContact O-N 2.92Å
98N63.6Low56.2Low81 Ų81109.8 Ų109.843%0.43355%0.551SS.*Hα-helixtrans-67.5-36.9176.2-70-21.7000112.1Q94 N95 H96 L101 S102Q94-N98 VanDerWaalsContact O-CB 3.31Å; Q94-N98 WeakPolarHBondContact O-CB 3.32Å; Q94-N98 PolarHBondContact O-N 2.86Å; Q94-N98 PolarHBondContact O-ND2 2.7Å; Q94-N98 PolarHBondContact O-OD1 3.26Å; N95-N98 PolarHBondContact O-N 2.94Å; H96-N98 VanDerWaalsContact C-N 3.3Å; H96-N98 PolarHBondContact O-N 3.19Å; N98-L101 PolarHBondContact O-N 2.84Å; N98-S102 PolarHBondContact O-N 3.02Å; N98-S102 PolarHBondContact O-OG 3.36Å
99R60Low55.7Low169 Ų169107.5 Ų107.564%0.63855%0.548SS*.Hα-helixtrans-65.6-42171.2-76.8177170.6-95.12.3111.8N95 H96 L101 S102 D103N95-R99 WeakPolarHBondContact O-CB 3.35Å; N95-R99 WeakPolarHBondContact O-CG 3.4Å; N95-R99 PolarHBondContact O-N 3.07Å; H96-R99 WeakPolarHBondContact O-CB 3.49Å; H96-R99 PolarHBondContact O-N 2.82Å; H96-R99 VanDerWaalsContact O-N 3.14Å; R99-L101 PolarHBondContact O-N 3Å; R99-S102 WeakPolarHBondContact CA-OG 3.31Å; R99-S102 PolarHBondContact O-N 2.75Å; R99-S102 PolarHBondContact O-OG 3.37Å; R99-D103 WeakPolarHBondContact O-CB 3.38Å; R99-D103 PolarHBondContact O-N 3.43Å
100L58.1Low54.8Low61 Ų61111.8 Ų111.832%0.31957%0.573SS.*Hα-helixtrans-60.9-30.8173.2-62.7-172.9000112.8L69 H96 M97L69-L100 HydrophobicContact CD1-CD2 3.85Å; L69-L100 HydrophobicContact CD2-CD1 4.47Å; L69-L100 HydrophobicContact CD2-CD2 3.44Å; L69-L100 VanDerWaalsContact CD2-CD2 3.44Å; L69-L100 HydrophobicContact CG-CD2 4.31Å; H96-L100 WeakPolarHBondContact O-CG 3.49Å; H96-L100 PolarHBondContact O-N 2.81Å; M97-L100 HydrophobicContact CE-CD1 3.46Å; M97-L100 VanDerWaalsContact CE-CD1 3.46Å; M97-L100 HydrophobicContact CE-CG 4.49Å; M97-L100 PolarHBondContact O-N 3.19Å; M97-L100 HydrophobicContact SD-CD1 4.22Å
101L57.3Low53.8Low109 Ų109112 Ų11257%0.57158%0.581SS**Hα-helixtrans-81.7-30.5176.7-71167.2000113.3M97 N98 R99M97-L101 VanDerWaalsContact O-CG 3.29Å; M97-L101 WeakPolarHBondContact O-CG 3.48Å; M97-L101 PolarHBondContact O-N 2.92Å; N98-L101 PolarHBondContact O-N 2.84Å; R99-L101 PolarHBondContact O-N 3Å
102S54.4Low53Low50 Ų50111.3 Ų111.335%0.3559%0.585SS.*Hα-helixtrans-78-40.6179.7590000112.6N98 R99 N104 R105N98-S102 PolarHBondContact O-N 3.02Å; N98-S102 PolarHBondContact O-OG 3.36Å; R99-S102 WeakPolarHBondContact CA-OG 3.31Å; R99-S102 PolarHBondContact O-N 2.75Å; R99-S102 PolarHBondContact O-OG 3.37Å; S102-N104 PolarHBondContact O-N 3.08Å; S102-R105 PolarHBondContact O-N 3Å; S102-R105 VanDerWaalsContact O-N 3.09Å
103D55.1Low52.4Low114 Ų114115.8 Ų115.861%0.6161%0.605SS**THydrogen-bonded Turntrans-72.5-13.9-173.2-61-8.9000111.6R99R99-D103 WeakPolarHBondContact O-CB 3.38Å; R99-D103 PolarHBondContact O-N 3.43Å
104N50.6Low51.5Low137 Ų137119.3 Ų119.373%0.73362%0.623SS**THydrogen-bonded Turntrans-75.7-19.7173-166-80.2000113.7S102S102-N104 PolarHBondContact O-N 3.08Å
105R52.3Low50.6Low197 Ų197119.6 Ų119.674%0.74364%0.635SS**SBendtrans-100.9-5.4-173.2-66.5-173.5177.6138.80.2115.6S102S102-R105 PolarHBondContact O-N 3Å; S102-R105 VanDerWaalsContact O-N 3.09Å
106N53.8Low49.2Very low108 Ų108118.6 Ų118.658%0.57865%0.647SS**  trans-112.714.4-168.3-70.7-1.7000115.7
107C43.3Very low48.2Very low118 Ų118120.7 Ų120.780%0.79767%0.669SS**SBendtrans-95.917.4172.9-168.50000113.5
108I42.8Very low46.8Very low155 Ų155124 Ų12480%0.79569%0.688SS**  trans-140.777.8166.7-49177.6000107.7
109Q39.6Very low45.6Very low151 Ų151124.2 Ų124.271%0.70670%0.702SS**  trans-113.596.9156.4-70.6-173.240.100106.5A111Q109-A111 PolarHBondContact O-N 3.14Å
110T35.7Very low44.6Very low121 Ų121125.3 Ų125.374%0.74271%0.714SS**  trans24100.9130.2-29.10000114.1D112T110-D112 PolarHBondContact O-N 3.5Å
111A37.3Very low43.8Very low94 Ų94131.5 Ų131.578%0.77774%0.741SS**  trans-60.8121.1155.100000107.6Q109 L113Q109-A111 PolarHBondContact O-N 3.14Å; A111-L113 PolarHBondContact O-N 2.79Å
112D42.9Very low42.7Very low143 Ų143133.9 Ų133.977%0.76575%0.753SS**  trans-48.7118.9169.7-72.1-49.3000111T110T110-D112 PolarHBondContact O-N 3.5Å
113L44Very low41.8Very low173 Ų173136.6 Ų136.691%0.90677%0.772SS**  trans-135.2103.7145.4-70.7-178.8000107.1A111A111-L113 PolarHBondContact O-N 2.79Å
114L41.2Very low41.3Very low162 Ų162138.8 Ų138.885%0.84878%0.783SS**  trans-73.5161.4175-81.9178.3000112.3
115P43.1Very low41Very low117 Ų117140.4 Ų140.476%0.7678%0.783SS**  trans-87.8141.5-172.9-3.324.1000114.4
116G32.4Very low40.5Very low75 Ų75139 Ų13977%0.77379%0.79SS**  trans46.2116.8140.500000121.8
117S40.5Very low39.6Very low106 Ų106140.7 Ų140.774%0.74180%0.8SS**  trans-167.3112.6134.220.30000112.2
118D35.4Very low39.3Very low163 Ų163139.7 Ų139.787%0.87280%0.799SS**  trans64137.8130.5-44.6-20000124.3
119A37.4Very low38.9Very low86 Ų86141.8 Ų141.871%0.71180%0.803SS**  trans-52.7148.6-17900000117.2
120Q39.6Very low38.8Very low191 Ų191141.2 Ų141.289%0.89380%0.804SS**  -163.3118.8128.9-104.5156.986.400111.3
121Q42Very low39.3Very low192 Ų192141.2 Ų141.290%0.89781%0.806SS**  trans-57.2134.4159.6-69.917521.500109.1
122L33.3Very low39.2Very low158 Ų158142.6 Ų142.683%0.82780%0.8SS**  trans-150.1108.8145.7-97.2171.6000108.8
123S34.4Very low38.8Very low107 Ų107142.7 Ų142.775%0.74881%0.806SS**  trans-56125.6167.151.10000111.7
124I44.7Very low38.5Very low161 Ų161141 Ų14183%0.82680%0.798SS**  trans-133.2120.1153.5-63.7-178.4000107.6
125K44.7Very low38.2Very low171 Ų171140.1 Ų140.174%0.74380%0.798SS**  trans-64.1143.2178.8-70.7163.8166.3176.70110.6
126D41.3Very low37.9Very low166 Ų166140.9 Ų140.989%0.88880%0.796SS**  trans-137.1121.4146.2-80.6-46.5000109.6
127D36.5Very low38Very low145 Ų145144.7 Ų144.778%0.77579%0.794SS**  trans-89.8154.8-178.6-86.1-60.7000111.6
128A37Very low38.1Very low96 Ų96146.9 Ų146.979%0.79380%0.797SS**  trans84.9105.2151.200000120.2
129K34.3Very low38.9Very low199 Ų199144.4 Ų144.487%0.86579%0.79SS**  143.6105.896.7-164.9164.3-174.1-74.80113.4
130L37.1Very low38.4Very low139 Ų139143.8 Ų143.873%0.72879%0.792SS**  trans-62.8165.4162.4-84.5-177.3000112.2
131P45.3Very low38.5Very low122 Ų122140.3 Ų140.379%0.79279%0.789SS**  -148.1160.654.138.7-15.9000121.4
132L36.1Very low38.7Very low122 Ų122136.8 Ų136.864%0.63978%0.783SS**  trans-45.7147.6159.6-97.4132.9000115.1
133T34.1Very low38.6Very low146 Ų146136 Ų13690%0.89678%0.778SS**  trans-137.512014031.90000109.4
134D37Very low38.5Very low138 Ų138137.4 Ų137.474%0.73878%0.777SS**  trans-74.7150.5165.6-81.3-55.8000111
135V36.6Very low38Very low142 Ų142138.3 Ų138.386%0.86178%0.778SS**  -169.5106.7129.9170.90000110
136N36Very low37.4Very low134 Ų134135.8 Ų135.872%0.71778%0.782SS**  26.8137.3127.6-105-25.8000125
137E35.4Very low37.3Very low155 Ų155131.6 Ų131.672%0.72477%0.766SS**  trans72118.6142.1-55.2-52.392.600125.8
138D41.3Very low37.4Very low152 Ų152132.7 Ų132.781%0.81377%0.766SS**  77.9144.2128.8-140.248.7000122.7
139P52.3Low37.7Very low110 Ų110136.1 Ų136.171%0.71477%0.766SS**  trans-100.1159.2-163.140.8-33.2000113.9
140G28.2Very low38Very low74 Ų74135.7 Ų135.776%0.76377%0.767SS**  trans-145.8115.8169.800000111.6
141S40.9Very low38.6Very low118 Ų118135.1 Ų135.183%0.82577%0.769SS**  trans-64.4163.8161.6-59.60000111.5
142P45.3Very low38.7Very low118 Ų118134 Ų13477%0.76677%0.77SS**  -141135.610327.7-9.1000112.7
143I32.7Very low39.1Very low140 Ų140135.3 Ų135.372%0.71878%0.777SS**  63.7117.586.3-94.1170.5000114.5
144N32.4Very low39.5Very low138 Ų138133.4 Ų133.474%0.73877%0.769SS**  trans173.697.9134.8-81.3-31.7000107.2
145Q33.3Very low40.1Very low179 Ų179132 Ų13284%0.83677%0.77SS**  95.9136.978-86.6-172.2400113.6
146S33Very low40.6Very low118 Ų118131.5 Ų131.583%0.82577%0.767SS**  trans100.8128.3163.6-145.80000117.4
147S38.6Very low41.1Very low79 Ų79131.5 Ų131.555%0.55277%0.767SS**  cis-172.8157.8-29.742.70000108.9
148E37.5Very low42.1Very low167 Ų167132 Ų13278%0.7877%0.77SS**  trans44.6115.9153.863.4-141.6118.900121.9
149E43.6Very low42.6Very low168 Ų168131.4 Ų131.479%0.78577%0.767SS**  71.1112.968.7-74.7-115.3135.700115.3
150E40.4Very low42.9Very low191 Ų191131.5 Ų131.589%0.89377%0.767SS**  trans-155.7119.8144.7-74.8-56.4158.100108.5
151V51Low43.8Very low127 Ų127137.2 Ų137.277%0.7777%0.771SS**  trans-121.9132.9174.3-71.80000109.3
152A46.7Very low44.2Very low99 Ų99138.7 Ų138.782%0.81877%0.77SS**  trans-136.2119.8167.400000105.9
153D44.9Very low44.9Very low148 Ų148138.9 Ų138.979%0.79177%0.771SS**  cis6387.946.4-156.939.1000114.3
154C43.2Very low45.8Very low106 Ų106139.1 Ų139.172%0.71677%0.774SS**  166.9136.5102.4-111.90000110.6
155S49.6Very low46.7Very low108 Ų108139.8 Ų139.876%0.75578%0.777SS**  trans-72.3140.4165.8161.80000110.1
156T47.5Very low47.1Very low132 Ų132138.1 Ų138.181%0.8177%0.774SS**  trans-146107.6153.7-44.80000109.2
157D46.6Very low48.4Very low134 Ų134138.1 Ų138.172%0.71777%0.774SS**  trans-73.7133.3156.7-155.6-83.8000106.6
158E55.5Low48.3Very low167 Ų167140.3 Ų140.378%0.7879%0.788SS**  trans-170.4109.6152-88.6-43.5126.900108.7
159D51.1Low49.2Very low139 Ų139138.2 Ų138.274%0.74379%0.792SS**  trans-83134.6163.9-155.5-15.4000107.8
160P59.8Low49Very low111 Ų111135.3 Ų135.372%0.72179%0.79SS**  -151.2130.7125.430.3-10.1000116.2
161K47Very low49Very low194 Ų194131.4 Ų131.484%0.84378%0.784SS**  67.8120.1118.8-145.5159.9-172.1168.40119.9
162D49.2Very low48.3Very low150 Ų150128.4 Ų128.480%0.80278%0.778SS**  trans-45.5152.8167.6-69.7-52.6000114.7
163P59.1Low48.2Very low121 Ų121131 Ų13179%0.78678%0.779SS**  -126.6140.3116.633.2-24.6000113.3
164D51.8Low47.7Very low146 Ų146130.8 Ų130.878%0.78178%0.782SS**  trans-43.9143.4160.2-57.3-78.9000112.4
165D51.3Low47.8Very low152 Ų152132 Ų13281%0.81378%0.78SS**  trans-169121.2134.9-94.3-27.5000112.4
166D42.8Very low47.8Very low144 Ų144134.7 Ų134.777%0.7778%0.781SS**  trans64.195.8138.8-68.4-22.6000123
167S60.2Low47.3Very low118 Ų118134.5 Ų134.583%0.82577%0.774SS**  22.9118120-73.60000119.7
168C35.2Very low47.4Very low124 Ų124134.3 Ų134.384%0.83877%0.773SS**  -150.4118117.460.70000111.9
169S56.8Low46.5Very low124 Ų124133.3 Ų133.387%0.86777%0.772SS**  trans-71.8135.7165.3-720000110.3
170S39.1Very low45.9Very low106 Ų106132.5 Ų132.574%0.74177%0.772SS**  trans-159.8110.5141.6-159.50000112.1
171S41.7Very low44.7Very low110 Ų110136.9 Ų136.977%0.76978%0.776SS**  trans44.3124.1134.271.30000120.1
172G36.1Very low44.7Very low64 Ų64136.9 Ų136.966%0.6677%0.77SS**  trans159.475.414800000115.3V174G172-V174 PolarHBondContact O-N 2.7Å
173N45.1Very low44Very low154 Ų154133.9 Ų133.982%0.82476%0.759SS**  trans20.495.5147.6-50.8-11.4000116.4I175N173-I175 PolarHBondContact O-N 3.07Å
174V33.4Very low43Very low142 Ų142135.6 Ų135.686%0.86176%0.756SS**  trans-7494.9162.3-169.80000107.1G172 E176G172-V174 PolarHBondContact O-N 2.7Å; V174-E176 PolarHBondContact O-N 3.04Å; V174-E176 VanDerWaalsContact O-N 3.11Å
175I44.8Very low42.5Very low131 Ų131138.4 Ų138.467%0.67276%0.762SS**  trans-70.9104.7161.8-59.8-179.5000106N173 L177N173-I175 PolarHBondContact O-N 3.07Å; I175-L177 VanDerWaalsContact C-N 3.33Å; I175-L177 HydrophobicContact CG2-CD1 3.62Å; I175-L177 HydrophobicContact CG2-CG 3.95Å; I175-L177 PolarHBondContact O-N 2.96Å
176E48.9Very low41.9Very low165 Ų165142.2 Ų142.277%0.77177%0.765SS**  trans-60.989.5169.2-159.2179.6-162.100109.3V174V174-E176 PolarHBondContact O-N 3.04Å; V174-E176 VanDerWaalsContact O-N 3.11Å
177L38.6Very low41.7Very low128 Ų128144.7 Ų144.767%0.6777%0.769SS**  trans-106.676.9171.1-91.8151.7000109.3I175 L179I175-L177 VanDerWaalsContact C-N 3.33Å; I175-L177 HydrophobicContact CG2-CD1 3.62Å; I175-L177 HydrophobicContact CG2-CG 3.95Å; I175-L177 PolarHBondContact O-N 2.96Å; L177-L179 HydrophobicContact CD2-CD1 3.33Å; L177-L179 PolarHBondContact O-N 2.75Å
178N47.5Very low40.6Very low131 Ų131143.8 Ų143.870%0.70176%0.762SS**  trans-61.979.3154.3-86-47.6000109.4V180N178-V180 VanDerWaalsContact C-N 3.29Å; N178-V180 PolarHBondContact O-N 3.37Å
179L37.6Very low40.6Very low146 Ų146145.5 Ų145.576%0.76476%0.763SS**  trans-87.677.5162.1-108.374.1000109.2L177 Y181L177-L179 HydrophobicContact CD2-CD1 3.33Å; L177-L179 PolarHBondContact O-N 2.75Å; L179-Y181 PolarHBondContact O-N 3.27Å; L179-Y181 VanDerWaalsContact O-N 3.09Å
180V38.2Very low39.7Very low121 Ų121148.8 Ų148.873%0.73376%0.761SS**  trans-61.8107.3159.5176.40000107.1N178 R182N178-V180 VanDerWaalsContact C-N 3.29Å; N178-V180 PolarHBondContact O-N 3.37Å; V180-R182 PolarHBondContact O-N 3.18Å
181Y35.3Very low39.4Very low203 Ų203152 Ų15280%0.79677%0.77SS**  trans-61.4106.1171.8177.5-105.6000109.4L179 P183L179-Y181 PolarHBondContact O-N 3.27Å; L179-Y181 VanDerWaalsContact O-N 3.09Å; Y181-P183 HydrophobicContact CD1-CG 4.36Å; Y181-P183 HydrophobicContact CE1-CG 3.9Å
182R46Very low38.9Very low194 Ų194158.5 Ų158.573%0.73278%0.777SS**  trans-105.3113.6172.7-171.5176.8-170.8-177.72.6108.1V180 H184V180-R182 PolarHBondContact O-N 3.18Å; R182-H184 PolarHBondContact O-N 3.31Å; R182-H184 VanDerWaalsContact O-N 3.1Å
183P33.7Very low38.6Very low88 Ų88160.4 Ų160.457%0.57178%0.781SS**  trans-67.8112.5178.5-14.627.5000109.9Y181 F185Y181-P183 HydrophobicContact CD1-CG 4.36Å; Y181-P183 HydrophobicContact CE1-CG 3.9Å; P183-F185 PolarHBondContact O-N 3.33Å
184H39.7Very low38Very low156 Ų156160.7 Ų160.772%0.72278%0.777SS**  trans-81.1109.1168.4-71.7-80.4000109.1R182 R186R182-H184 PolarHBondContact O-N 3.31Å; R182-H184 VanDerWaalsContact O-N 3.1Å; H184-R186 VanDerWaalsContact C-N 3.31Å; H184-R186 PolarHBondContact O-N 3Å
185F39.9Very low37.9Very low205 Ų205162.8 Ų162.890%0.89978%0.777SS**  trans-62.195.8156.9-92.2-92.9000107.9P183 K187P183-F185 PolarHBondContact O-N 3.33Å; F185-K187 PolarHBondContact O-N 2.9Å
186R38.7Very low37.3Very low233 Ų233161.9 Ų161.988%0.87978%0.782SS**  trans-68.3113.2168-75.7-168.7-178-136.92.9107.9H184 S188H184-R186 VanDerWaalsContact C-N 3.31Å; H184-R186 PolarHBondContact O-N 3Å; R186-S188 PolarHBondContact O-N 3.45Å
187K38.3Very low36.4Very low195 Ų195162.6 Ų162.685%0.84879%0.786SS**  trans-58.9128.3158.9-71.4175.7178.7176.80107F185 L189F185-K187 PolarHBondContact O-N 2.9Å; K187-L189 PolarHBondContact O-N 3.41Å; K187-L189 VanDerWaalsContact O-N 3.16Å
188S37.5Very low36.2Very low99 Ų99162 Ų16269%0.69279%0.79SS**  trans-55.3119174.545.80000109.5R186 F190R186-S188 PolarHBondContact O-N 3.45Å; S188-F190 PolarHBondContact O-N 3.35Å
189L35.6Very low35.3Very low161 Ų161165.4 Ų165.484%0.84380%0.798SS**  trans-73.3109.1163.9-69.7170.8000106.4K187 L191K187-L189 PolarHBondContact O-N 3.41Å; K187-L189 VanDerWaalsContact O-N 3.16Å; L189-L191 PolarHBondContact O-N 2.81Å
190F37.2Very low35.4Very low192 Ų192170 Ų17084%0.84281%0.805SS**  trans-60.2115.8161.1-90.7-89.7000108.1S188 R192S188-F190 PolarHBondContact O-N 3.35Å; F190-R192 PolarHBondContact O-N 2.85Å
191L33.8Very low34.9Very low175 Ų175170.9 Ų170.992%0.91681%0.81SS**  trans-60.3114.9159.7-90.494.5000107.8L189L189-L191 PolarHBondContact O-N 2.81Å
192R31.3Very low35Very low245 Ų245167.2 Ų167.293%0.92581%0.81SS**  trans-102114167.3-158.4177.2-170.3-1531.1107.6F190F190-R192 PolarHBondContact O-N 2.85Å
193S30.2Very low34.7Very low105 Ų105163 Ų16373%0.73481%0.807SS**  trans-72.6134.6177.9-164.50000111.4
194H31.9Very low34.6Very low159 Ų159167.2 Ų167.274%0.73682%0.819SS**  trans8.2143.6158.1-64.9-80.4000124.3
195Q30.9Very low34.1Very low186 Ų186167.6 Ų167.687%0.86983%0.826SS**  trans77.3133.8151.5-68.8166.34500116.7
196S31.6Very low33.6Very low112 Ų112160.8 Ų160.878%0.78382%0.815SS**  cis-154.5154.323.943.70000112.5
197E30.8Very low33.3Very low181 Ų181153.3 Ų153.385%0.84681%0.81SS**  trans-60.7152.1159.5-102.3-167.3152.700111
198P34.8Very low32.9Very low115 Ų115153.4 Ų153.475%0.74781%0.813SS**  -156.6166.977.840.9-20000119
199K28.9Very low33.2Very low203 Ų203160.6 Ų160.688%0.88383%0.825SS**  trans74.3114.3142.5-112.7170.5177.7170.30121.3
200R38.6Very low33.1Very low242 Ų242164.2 Ų164.291%0.91383%0.828SS**  trans-38.2138.5156.7-83.6179.2-174.4177.42.7114
201V29Very low32.9Very low139 Ų139161.9 Ų161.984%0.84282%0.822SS**  -160.7125.4128.7176.90000108.8
202T36.2Very low32.8Very low127 Ų127161.5 Ų161.578%0.77982%0.819SS**  trans-90.3149.2149.947.10000107
203P40.1Very low32.8Very low104 Ų104157.2 Ų157.268%0.67581%0.809SS**  -161-174.850.646.4-24.4000117.5
204Q31.1Very low32.8Very low178 Ų178156.1 Ų156.183%0.83281%0.807SS**  trans69.6126.5152.4-63-163.58.500123
205D29.6Very low32.7Very low163 Ų163153.6 Ų153.687%0.87281%0.806SS**  63.9146.1125.2-156.329.8000122.2
206G29.6Very low33Very low63 Ų63156.7 Ų156.765%0.64981%0.81SS**  trans106.5109.2164.500000115.2
207G31.5Very low33.2Very low75 Ų75156.6 Ų156.677%0.77381%0.809SS**  trans-70.6162.9-177.900000115.1
208E31.4Very low33.2Very low198 Ų198150.6 Ų150.693%0.92580%0.796SS**  trans-168.5143.8140.5-109.4170.4-172.500111.5R210E208-R210 PolarHBondContact O-N 3.38Å
209R42.3Very low33.3Very low249 Ų249153 Ų15394%0.9480%0.802SS**  trans-61.1124.9-172.6-58.9168-163.8-129.2-0.1110
210R33.7Very low33.5Very low238 Ų238151 Ų15190%0.89880%0.798SS**  trans-118.799165.2-160.7172.1-74.5177.2-1.9110.4E208 I212E208-R210 PolarHBondContact O-N 3.38Å; R210-I212 PolarHBondContact O-N 3.14Å
211I34.3Very low33.4Very low143 Ų143147.4 Ų147.473%0.73379%0.792SS**  trans-2.7112.2155.3-56.5178.1000113.5H213I211-H213 VanDerWaalsContact C-N 3.28Å; I211-H213 PolarHBondContact O-N 2.86Å
212I30.7Very low33.6Very low166 Ų166146.7 Ų146.785%0.85179%0.791SS**  trans-69.190.7163.7-56.2175.4000106.6R210 A214R210-I212 PolarHBondContact O-N 3.14Å; I212-A214 PolarHBondContact O-N 3.35Å
213H31.5Very low33.5Very low155 Ų155147.8 Ų147.872%0.71879%0.792SS**  trans-79.694.5164.5-154.2-92.6000107I211 C215I211-H213 VanDerWaalsContact C-N 3.28Å; I211-H213 PolarHBondContact O-N 2.86Å; H213-C215 VanDerWaalsContact C-N 3.26Å; H213-C215 PolarHBondContact O-N 2.87Å
214A30.9Very low33.1Very low83 Ų83147 Ų14769%0.68680%0.795SS**  trans-64.789.6168.700000108.6I212 R216I212-A214 PolarHBondContact O-N 3.35Å; A214-R216 VanDerWaalsContact C-N 3.26Å; A214-R216 PolarHBondContact O-N 3.18Å
215C28.5Very low33.1Very low106 Ų106147.3 Ų147.372%0.71679%0.793SS**  trans-6990.8163.4-91.90000108.5H213 S217H213-C215 VanDerWaalsContact C-N 3.26Å; H213-C215 PolarHBondContact O-N 2.87Å; C215-S217 PolarHBondContact O-N 3.34Å
216R38.4Very low33.2Very low250 Ų250145.1 Ų145.194%0.94379%0.785SS**  trans-60.681.4150.7-96.8176161.6-173.9-3.9108.1A214A214-R216 VanDerWaalsContact C-N 3.26Å; A214-R216 PolarHBondContact O-N 3.18Å
217S34.3Very low33.4Very low110 Ų110147.1 Ų147.177%0.76979%0.789SS**  trans-83.8104153.7174.10000104.8C215C215-S217 PolarHBondContact O-N 3.34Å
218G32.2Very low33.8Very low55 Ų55149.4 Ų149.457%0.56778%0.783SS**  90.191.970.900000105.9M220G218-M220 PolarHBondContact O-N 2.99Å
219N36.2Very low34.2Very low165 Ų165144.3 Ų144.388%0.88277%0.766SS**  trans-57.785.8171.9-88.8-39.8000109Q221N219-Q221 PolarHBondContact O-N 2.82Å
220M33.9Very low34.3Very low161 Ų161139.8 Ų139.879%0.79376%0.76SS**  trans-7390158-74.5-103.770.100105.5G218 C222G218-M220 PolarHBondContact O-N 2.99Å; M220-C222 PolarHBondContact O-N 3.17Å
221Q36.9Very low34.9Very low167 Ų167136.9 Ų136.978%0.7876%0.757SS**  trans-55.5112.6157.9-74.2180700105.9N219 L223N219-Q221 PolarHBondContact O-N 2.82Å; Q221-L223 PolarHBondContact O-N 3.33Å
222C31.8Very low35.2Very low124 Ų124137.5 Ų137.584%0.83876%0.756SS**  trans-61.696.2167.5-53.40000106.1M220 A224M220-C222 PolarHBondContact O-N 3.17Å; C222-A224 VanDerWaalsContact C-N 3.27Å; C222-A224 PolarHBondContact O-N 3.36Å
223L34.3Very low35.8Very low150 Ų150135 Ų13579%0.78574%0.744SS**  trans-58.2103.6157.4-77.8168.5000105Q221 K225Q221-L223 PolarHBondContact O-N 3.33Å; L223-K225 PolarHBondContact O-N 3.44Å
224A32.2Very low36.4Very low89 Ų89135.8 Ų135.874%0.73675%0.748SS**  trans-64.283.3163.500000106.3C222 V226C222-A224 VanDerWaalsContact C-N 3.27Å; C222-A224 PolarHBondContact O-N 3.36Å; A224-V226 PolarHBondContact O-N 3.49Å
225K31.1Very low37.1Very low184 Ų184137.7 Ų137.780%0.875%0.745SS**  trans-62.596.6157.4-82.8-178.9173.4177.90104.8L223 S227L223-K225 PolarHBondContact O-N 3.44Å; K225-S227 PolarHBondContact O-N 2.85Å
226V32.5Very low37.5Very low117 Ų117138.5 Ų138.571%0.70975%0.751SS**  trans-68.778.9158.9-173.80000105A224 I228A224-V226 PolarHBondContact O-N 3.49Å; V226-I228 VanDerWaalsContact C-N 3.25Å; V226-I228 HydrophobicContact CG1-CD1 4.25Å; V226-I228 HydrophobicContact CG1-CG1 3.66Å; V226-I228 PolarHBondContact O-N 2.94Å
227S32.1Very low37.4Very low105 Ų105130.5 Ų130.573%0.73473%0.733SS**  trans-75.192.6167.1-162.10000104.6K225 P229K225-S227 PolarHBondContact O-N 2.85Å; S227-P229 WeakPolarHBondContact O-CD 3.29Å
228I41.3Very low37.7Very low123 Ų123134 Ų13463%0.63173%0.731SS**  trans-72.2111.8169.3-53.9-179.3000104.7V226 L230V226-I228 VanDerWaalsContact C-N 3.25Å; V226-I228 HydrophobicContact CG1-CD1 4.25Å; V226-I228 HydrophobicContact CG1-CG1 3.66Å; V226-I228 PolarHBondContact O-N 2.94Å; I228-L230 PolarHBondContact O-N 3.22Å
229P38.1Very low38.1Very low90 Ų90138.6 Ų138.658%0.58474%0.735SS**  trans-59.7127.7172.624.1-30.8000108.1S227 E231S227-P229 WeakPolarHBondContact O-CD 3.29Å; P229-E231 PolarHBondContact O-N 3.26Å
230L45.1Very low38.4Very low154 Ų154139.3 Ų139.381%0.80674%0.738SS**THydrogen-bonded Turntrans-70.827.8-169.7-123.6135.2000113.9I228I228-L230 PolarHBondContact O-N 3.22Å
231E47.6Very low38.7Very low178 Ų178139.4 Ų139.483%0.83274%0.736SS**THydrogen-bonded Turntrans-119.61-178.5-60.9-143.3166.900114.5P229P229-E231 PolarHBondContact O-N 3.26Å
232H39.9Very low38.9Very low156 Ų156135 Ų13572%0.72274%0.735SS**  trans-10714.6176.1-88.296.9000114.8H234H232-H234 PolarHBondContact O-N 3.31Å; H232-H234 VanDerWaalsContact O-N 3.15Å
233L42.7Very low39.4Very low113 Ų113136.8 Ų136.859%0.59274%0.735SS**THydrogen-bonded Turntrans-78.716.8178-102.4160.2000114.7
234H44.6Very low39.7Very low171 Ų171135 Ų13579%0.79273%0.732SS**THydrogen-bonded Turntrans-90.63.6177.4-106.2-148.5000115.5H232 Y238H232-H234 PolarHBondContact O-N 3.31Å; H232-H234 VanDerWaalsContact O-N 3.15Å; H234-Y238 PolarHBondContact O-OH 3.06Å
235I45.6Very low40.3Very low124 Ų124138.3 Ų138.364%0.63674%0.737SS**SBendtrans-116-6.3-177.5-56.1179.7000114.1
236C37.1Very low40.9Very low123 Ų123135.3 Ų135.383%0.83174%0.736SS**SBendtrans-122.716.2176.7-820000115.3
237S36.4Very low41.2Very low81 Ų81136.9 Ų136.957%0.56674%0.741SS**  trans-130.454.4175.6-1590000111.7K239S237-K239 PolarHBondContact O-N 3.43Å; S237-K239 VanDerWaalsContact O-N 3.07Å
238Y40Very low41.5Very low185 Ų185137 Ų13773%0.72574%0.741SS**  trans-79.782.2149.2-43.1-72.7000105.9H234 L240H234-Y238 PolarHBondContact O-OH 3.06Å; Y238-L240 PolarHBondContact O-N 2.96Å
239K40.9Very low41.4Very low150 Ų150139.3 Ų139.365%0.65275%0.754SS**  trans-39.5123.8164.6-162.3137.2179.8170.80108.3S237 Q241S237-K239 PolarHBondContact O-N 3.43Å; S237-K239 VanDerWaalsContact O-N 3.07Å; K239-Q241 HydrophobicContact CG-CG 4.25Å; K239-Q241 PolarHBondContact O-N 3.45Å
240L43.1Very low41.4Very low180 Ų180140.1 Ų140.194%0.94276%0.762SS**  trans-52.897.3156.7-90.3102.1000107Y238Y238-L240 PolarHBondContact O-N 2.96Å
241Q39.5Very low41.2Very low163 Ų163140.7 Ų140.776%0.76277%0.765SS**  trans-117.5106.5167-101.3171.92.200107.1K239K239-Q241 HydrophobicContact CG-CG 4.25Å; K239-Q241 PolarHBondContact O-N 3.45Å
242G40.9Very low40.8Very low74 Ų74140.7 Ų140.776%0.76377%0.765SS**  trans69.175.7150.900000116.7
243I41.9Very low40.7Very low163 Ų163144.1 Ų144.184%0.83677%0.771SS**  trans-96.5112145.4-57.7178000105.9L245I243-L245 PolarHBondContact O-N 3.09Å
244P42.1Very low40.5Very low112 Ų112144.5 Ų144.573%0.72778%0.784SS**PPolyproline II helixtrans-66.8126.1168.726.2-27.7000108.2
245L43Very low40.3Very low158 Ų158141.6 Ų141.683%0.82778%0.782SS**PPolyproline II helixtrans-54.9130.7171.5-71164.1000108.9I243 N247I243-L245 PolarHBondContact O-N 3.09Å; L245-N247 PolarHBondContact O-N 3.09Å
246P44.6Very low40.2Very low121 Ų121139.9 Ų139.979%0.78679%0.787SS**PPolyproline II helixtrans-65.1130.9167.726-29.9000108.9
247N39.7Very low40.3Very low151 Ų151143.4 Ų143.481%0.80779%0.791SS**  trans-38.7137.1-178.1-64-40.9000113.9L245 L249L245-N247 PolarHBondContact O-N 3.09Å; N247-L249 PolarHBondContact O-N 3.05Å; N247-L249 VanDerWaalsContact O-N 3.14Å
248S38.4Very low40.7Very low107 Ų107145.6 Ų145.675%0.74880%0.801SS**  trans-44.1117.4158.950.40000109.8S250S248-S250 PolarHBondContact O-N 3.37Å
249L39.2Very low40.9Very low171 Ų171140.5 Ų140.590%0.89581%0.805SS**  trans-58.5107164.1-75.4166.3000107.6N247 L251N247-L249 PolarHBondContact O-N 3.05Å; N247-L249 VanDerWaalsContact O-N 3.14Å; L249-L251 PolarHBondContact O-N 2.98Å; L249-L251 VanDerWaalsContact O-N 3.08Å
250S37.3Very low41Very low107 Ų107141.8 Ų141.875%0.74881%0.813SS**  trans-56.7110164.6-650000108.1S248 E252S248-S250 PolarHBondContact O-N 3.37Å; S250-E252 PolarHBondContact O-N 3.22Å
251L40.4Very low41.1Very low167 Ų167137.6 Ų137.687%0.87480%0.799SS**  trans-69.786.6163.5-163.476.9000106.7L249 R253L249-L251 PolarHBondContact O-N 2.98Å; L249-L251 VanDerWaalsContact O-N 3.08Å; L251-R253 PolarHBondContact O-N 2.97Å
252E38.9Very low41.5Very low178 Ų178136.3 Ų136.383%0.83280%0.802SS**  trans-59.1109.6166.9-86.2-118.2101.800108.3S250 S254S250-E252 PolarHBondContact O-N 3.22Å; E252-S254 PolarHBondContact O-N 2.91Å
253R38.6Very low42.2Very low227 Ų227139.6 Ų139.686%0.85780%0.802SS**  trans-63.8100.9163.6-84.5-178.4173.8-154-1.5107.9L251 S255L251-R253 PolarHBondContact O-N 2.97Å; R253-S255 PolarHBondContact O-N 3.41Å
254S37.6Very low42.8Very low121 Ų121140.9 Ų140.985%0.84680%0.801SS**  trans-68.696.4158.8-170.70000108E252 A256E252-S254 PolarHBondContact O-N 2.91Å; S254-A256 PolarHBondContact O-N 3.35Å
255S41.3Very low43.4Very low110 Ų110141.5 Ų141.577%0.76980%0.803SS**  trans-72.3108.7164.5-80.10000108.1R253 Q257R253-S255 PolarHBondContact O-N 3.41Å; S255-Q257 PolarHBondContact O-N 3.49Å
256A43Very low43.8Very low88 Ų88139.9 Ų139.973%0.72780%0.8SS**  trans-59.8116.1167.100000109.7S254 V258S254-A256 PolarHBondContact O-N 3.35Å; A256-V258 PolarHBondContact O-N 3.19Å
257Q39.8Very low44Very low197 Ų197145.3 Ų145.392%0.92182%0.82SS**  trans-69.8105.3159.5-86.5175.3-14.200107.7S255 G259S255-Q257 PolarHBondContact O-N 3.49Å; Q257-G259 PolarHBondContact O-N 3.47Å
258V44.3Very low44.2Very low127 Ų127145 Ų14577%0.7782%0.821SS**  trans-73.498.6158.1170.50000106.4A256 E260A256-V258 PolarHBondContact O-N 3.19Å; V258-E260 HydrophobicContact CG1-CB 4.37Å
259G43.7Very low44.5Very low79 Ų79147 Ų14781%0.81483%0.825SS**  trans-85.1110.9156.400000107.5Q257Q257-G259 PolarHBondContact O-N 3.47Å
260E43Very low44.8Very low177 Ų177145.7 Ų145.783%0.82782%0.821SS**  trans-119.4134.5164.8-161.7166.7161.500109.7V258V258-E260 HydrophobicContact CG1-CB 4.37Å
261S45Very low45.3Very low91 Ų91147.9 Ų147.964%0.63683%0.825SS**  trans-74137.6-157.8-163.80000112.4D263S261-D263 PolarHBondContact O-N 3.39Å; S261-D263 PolarHBondContact OG-OD1 3.26Å
262V48.5Very low45.6Very low137 Ų137146.8 Ų146.883%0.8382%0.822SS**  trans-87.493.5164179.70000107.3K264V262-K264 PolarHBondContact O-N 3.27Å
263D55.6Low46Very low143 Ų143144.7 Ų144.777%0.76582%0.821SS**  trans-86.6106.5165.7-74.9-17.1000109.6S261S261-D263 PolarHBondContact O-N 3.39Å; S261-D263 PolarHBondContact OG-OD1 3.26Å
264K54.2Low46.6Very low189 Ų189138.8 Ų138.882%0.82282%0.819SS**  trans-58142.7154.2-79.9169.5168.7174.70109V262V262-K264 PolarHBondContact O-N 3.27Å
265T54.9Low47.3Very low125 Ų125140.2 Ų140.277%0.76782%0.816SS**  trans162.8113.6134.4-75.20000111.2
266T52.3Low47.7Very low124 Ų124142.7 Ų142.776%0.76182%0.82SS**  trans60.7120.3133.2-50.10000117
267I48.7Very low48.2Very low235 Ų235147.6 Ų147.6100%1.20583%0.829SS**  -152.3050-66.2171.9000108.5

Retrieved 267 of 267 residues in 60.2 ms (Link to these results)