A0A5K4FC28_SCHMA Loading...

LisH domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FC28, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 288 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
1M49Very low65.8Low224 Ų224129 Ų129100%1.10364%0.644SS**  067.10-171.6173-178.600107.9
2Y58.4Low67.1Low208 Ų208126.7 Ų126.782%0.81663%0.634SS**  trans-141.516-163.4-71.5-66.5000114.1
3T62.4Low68.5Low120 Ų120125.2 Ų125.274%0.73663%0.629SS**SBendtrans-103.4-15.1-168.443.50000115.5
4L58.4Low70Confident156 Ų156125.1 Ų125.182%0.81763%0.631SS**SBendtrans-79-44176.5-100.574.7000112.4K6 M7 G8L4-K6 PolarHBondContact O-N 3.41Å; L4-M7 PolarHBondContact O-N 3.44Å; L4-G8 PolarHBondContact O-N 3.41Å
5D63.2Low71.4Confident122 Ų122123.6 Ų123.665%0.65262%0.618SS**Hα-helixtrans-61-44.6-172.4-155.145.9000111.9M7 G8 D9D5-M7 VanDerWaalsContact C-N 3.28Å; D5-M7 PolarHBondContact O-N 3.14Å; D5-G8 WeakPolarHBondContact O-CA 3.26Å; D5-G8 PolarHBondContact O-N 3.22Å; D5-G8 VanDerWaalsContact O-N 3.08Å; D5-D9 PolarHBondContact O-N 2.99Å
6K62.9Low72.7Confident116 Ų116120.9 Ų120.950%0.50460%0.603SS.*Hα-helixtrans-61-32.3178-69.2-71.7146-130.30113.8L4 D9 E10L4-K6 PolarHBondContact O-N 3.41Å; K6-D9 IonicContact NZ-OD2 3.13Å; K6-D9 PolarHBondContact NZ-OD2 3.13Å; K6-D9 PolarHBondContact O-N 3.06Å; K6-E10 WeakPolarHBondContact O-CG 3.37Å; K6-E10 PolarHBondContact O-N 3.38Å
7M62.2Low73.6Confident142 Ų142116.9 Ų116.970%0.759%0.594SS**Hα-helixtrans-76-30.6178.1-162159-165.600111.8L4 D5 E11L4-M7 PolarHBondContact O-N 3.44Å; D5-M7 VanDerWaalsContact C-N 3.28Å; D5-M7 PolarHBondContact O-N 3.14Å; M7-E11 WeakPolarHBondContact O-CB 3.32Å; M7-E11 PolarHBondContact O-N 3.29Å; M7-E11 VanDerWaalsContact O-N 3.13Å
8G73.9Confident74.7Confident31 Ų31115.9 Ų115.932%0.3259%0.589SS.*Hα-helixtrans-64.7-48.9167.800000111.8L4 D5 E10 E11 I12L4-G8 PolarHBondContact O-N 3.41Å; D5-G8 WeakPolarHBondContact O-CA 3.26Å; D5-G8 PolarHBondContact O-N 3.22Å; D5-G8 VanDerWaalsContact O-N 3.08Å; G8-E10 PolarHBondContact O-N 3.37Å; G8-E11 PolarHBondContact O-N 3.36Å; G8-I12 WeakPolarHBondContact O-CB 3.4Å; G8-I12 WeakPolarHBondContact O-CD1 3.46Å; G8-I12 WeakPolarHBondContact O-CG1 3.33Å; G8-I12 PolarHBondContact O-N 3.46Å
9D76.2Confident75.6Confident56 Ų56114.3 Ų114.330%0.29958%0.581SS.*Hα-helixtrans-54.2-49.2176.1-70.8-27.3000111.7D5 K6 I12 N13D5-D9 PolarHBondContact O-N 2.99Å; K6-D9 IonicContact NZ-OD2 3.13Å; K6-D9 PolarHBondContact NZ-OD2 3.13Å; K6-D9 PolarHBondContact O-N 3.06Å; D9-I12 PolarHBondContact O-N 3.4Å; D9-N13 WeakPolarHBondContact O-CB 3.44Å; D9-N13 PolarHBondContact O-N 3.16Å; D9-N13 PolarHBondContact O-ND2 3.16Å
10E78.2Confident76.3Confident138 Ų138115.6 Ų115.665%0.64558%0.579SS**Hα-helixtrans-65.6-40.9-178.9-74.7177-163.700112.4K6 G8 N13 L14K6-E10 WeakPolarHBondContact O-CG 3.37Å; K6-E10 PolarHBondContact O-N 3.38Å; G8-E10 PolarHBondContact O-N 3.37Å; E10-N13 PolarHBondContact O-N 3.41Å; E10-L14 WeakPolarHBondContact O-CB 3.47Å; E10-L14 PolarHBondContact O-N 3.5Å
11E78.9Confident77Confident106 Ų106112.4 Ų112.450%0.49557%0.567SS.*Hα-helixtrans-66.9-38.7176.4-165-171.2154.500112M7 G8 L14 K15M7-E11 WeakPolarHBondContact O-CB 3.32Å; M7-E11 PolarHBondContact O-N 3.29Å; M7-E11 VanDerWaalsContact O-N 3.13Å; G8-E11 PolarHBondContact O-N 3.36Å; E11-L14 PolarHBondContact O-N 2.93Å; E11-K15 HydrophobicContact CG-CD 4.47Å; E11-K15 WeakPolarHBondContact O-CB 3.46Å; E11-K15 VanDerWaalsContact O-CG 3.31Å; E11-K15 WeakPolarHBondContact O-CG 3.4Å; E11-K15 PolarHBondContact O-N 3.37Å; E11-K15 WeakPolarHBondContact OE1-CE 3.46Å; E11-K15 IonicContact OE1-NZ 2.82Å; E11-K15 PolarHBondContact OE1-NZ 2.96Å
12I81.7Confident79Confident101 Ų101104.3 Ų104.352%0.51853%0.528SS..Hα-helixtrans-64.4-48175.2-69.3165.2000110.2G8 D9 L14 K15 E16G8-I12 WeakPolarHBondContact O-CB 3.4Å; G8-I12 WeakPolarHBondContact O-CD1 3.46Å; G8-I12 WeakPolarHBondContact O-CG1 3.33Å; G8-I12 PolarHBondContact O-N 3.46Å; D9-I12 PolarHBondContact O-N 3.4Å; I12-L14 VanDerWaalsContact C-N 3.3Å; I12-L14 PolarHBondContact O-N 3.28Å; I12-K15 PolarHBondContact O-N 2.99Å; I12-E16 WeakPolarHBondContact O-CB 3.23Å; I12-E16 WeakPolarHBondContact O-CG 3.33Å; I12-E16 PolarHBondContact O-N 3.03Å
13N85.2Confident80.6Confident107 Ų10798.6 Ų98.657%0.57251%0.512SS*.Hα-helixtrans-61.1-37.6177.1-77.5-61.4000112.3D9 E10 A17D9-N13 WeakPolarHBondContact O-CB 3.44Å; D9-N13 PolarHBondContact O-N 3.16Å; D9-N13 PolarHBondContact O-ND2 3.16Å; E10-N13 PolarHBondContact O-N 3.41Å; N13-A17 WeakPolarHBondContact O-CB 3.48Å; N13-A17 PolarHBondContact O-N 3.38Å
14L90Very high82Confident125 Ų125100.6 Ų100.665%0.65451%0.513SS*.Hα-helixtrans-68.6-41.7175.9-177.961000112.3E10 E11 I12 A17 L18E10-L14 WeakPolarHBondContact O-CB 3.47Å; E10-L14 PolarHBondContact O-N 3.5Å; E11-L14 PolarHBondContact O-N 2.93Å; I12-L14 VanDerWaalsContact C-N 3.3Å; I12-L14 PolarHBondContact O-N 3.28Å; L14-A17 PolarHBondContact O-N 3.46Å; L14-L18 WeakPolarHBondContact O-CB 3.38Å; L14-L18 PolarHBondContact O-N 2.8Å
15K91.1Very high83.6Confident102 Ų10299.6 Ų99.644%0.44350%0.504SS..Hα-helixtrans-61-46174-76.3168.1-177.41650111.4E11 I12 L18 I19E11-K15 HydrophobicContact CG-CD 4.47Å; E11-K15 WeakPolarHBondContact O-CB 3.46Å; E11-K15 VanDerWaalsContact O-CG 3.31Å; E11-K15 WeakPolarHBondContact O-CG 3.4Å; E11-K15 PolarHBondContact O-N 3.37Å; E11-K15 WeakPolarHBondContact OE1-CE 3.46Å; E11-K15 IonicContact OE1-NZ 2.82Å; E11-K15 PolarHBondContact OE1-NZ 2.96Å; I12-K15 PolarHBondContact O-N 2.99Å; K15-L18 PolarHBondContact O-N 3.32Å; K15-I19 VanDerWaalsContact O-CG1 3.26Å; K15-I19 WeakPolarHBondContact O-CG1 3.31Å; K15-I19 PolarHBondContact O-N 3.29Å
16E90.7Very high84.9Confident81 Ų8195.4 Ų95.438%0.37949%0.489SS..Hα-helixtrans-59.9-44.6175.8-85-66.1134.500112.8I12 I19 R20I12-E16 WeakPolarHBondContact O-CB 3.23Å; I12-E16 WeakPolarHBondContact O-CG 3.33Å; I12-E16 PolarHBondContact O-N 3.03Å; E16-I19 PolarHBondContact O-N 3.28Å; E16-R20 VanDerWaalsContact O-CG 3.32Å; E16-R20 WeakPolarHBondContact O-CG 3.31Å; E16-R20 PolarHBondContact O-N 3.48Å; E16-R20 PolarHBondContact O-NE 2.88Å; E16-R20 IonicContact OE2-CZ 3.51Å; E16-R20 IonicContact OE2-NE 2.71Å; E16-R20 IonicContact OE2-NH2 3.68Å; E16-R20 PolarHBondContact OE2-NH2 3.34Å
17A89.6Confident86.4Confident53 Ų5393.5 Ų93.544%0.43848%0.484SS..Hα-helixtrans-63.8-40.7175.400000112.2N13 L14 R20 S21N13-A17 WeakPolarHBondContact O-CB 3.48Å; N13-A17 PolarHBondContact O-N 3.38Å; L14-A17 PolarHBondContact O-N 3.46Å; A17-R20 PolarHBondContact O-N 2.92Å; A17-S21 WeakPolarHBondContact O-CB 3.5Å; A17-S21 PolarHBondContact O-N 3.16Å
18L92.5Very high87.7Confident99 Ų9989.2 Ų89.252%0.51846%0.464SS..Hα-helixtrans-65.2-43.7176-177.766000111.9L14 K15 R20 S21 L22L14-L18 WeakPolarHBondContact O-CB 3.38Å; L14-L18 PolarHBondContact O-N 2.8Å; K15-L18 PolarHBondContact O-N 3.32Å; L18-R20 VanDerWaalsContact C-N 3.35Å; L18-R20 PolarHBondContact O-N 3.41Å; L18-S21 PolarHBondContact O-N 2.78Å; L18-L22 HydrophobicContact CD1-CD1 4.06Å; L18-L22 HydrophobicContact CD1-CG 4.1Å; L18-L22 HydrophobicContact CG-CD1 3.89Å; L18-L22 HydrophobicContact CG-CG 4.31Å; L18-L22 WeakPolarHBondContact O-CB 3.36Å; L18-L22 VanDerWaalsContact O-CG 3.27Å; L18-L22 WeakPolarHBondContact O-CG 3.49Å; L18-L22 PolarHBondContact O-N 3.16Å
19I91.3Very high88.6Confident84 Ų8490.8 Ų90.843%0.43147%0.468SS..Hα-helixtrans-60.3-45.1176.9-71.5164000110.5K15 E16 N23 L28K15-I19 VanDerWaalsContact O-CG1 3.26Å; K15-I19 WeakPolarHBondContact O-CG1 3.31Å; K15-I19 PolarHBondContact O-N 3.29Å; E16-I19 PolarHBondContact O-N 3.28Å; I19-N23 VanDerWaalsContact O-CB 3.26Å; I19-N23 WeakPolarHBondContact O-CB 3.42Å; I19-N23 PolarHBondContact O-N 3.24Å; I19-L28 HydrophobicContact CG2-CD2 4.25Å
20R90.5Very high89.4Confident141 Ų14194.5 Ų94.553%0.53248%0.482SS..Hα-helixtrans-61.6-50.4176.4-69.2171-144.6-179.45.2111.6E16 A17 L18 L22 N23 E24E16-R20 VanDerWaalsContact O-CG 3.32Å; E16-R20 WeakPolarHBondContact O-CG 3.31Å; E16-R20 PolarHBondContact O-N 3.48Å; E16-R20 PolarHBondContact O-NE 2.88Å; E16-R20 IonicContact OE2-CZ 3.51Å; E16-R20 IonicContact OE2-NE 2.71Å; E16-R20 IonicContact OE2-NH2 3.68Å; E16-R20 PolarHBondContact OE2-NH2 3.34Å; A17-R20 PolarHBondContact O-N 2.92Å; L18-R20 VanDerWaalsContact C-N 3.35Å; L18-R20 PolarHBondContact O-N 3.41Å; R20-L22 PolarHBondContact O-N 3.34Å; R20-N23 PolarHBondContact O-N 2.82Å; R20-N23 VanDerWaalsContact O-N 3.12Å; R20-E24 WeakPolarHBondContact O-CB 3.48Å; R20-E24 WeakPolarHBondContact O-CG 3.28Å; R20-E24 PolarHBondContact O-N 3.42Å
21S91.1Very high90.3Very high49 Ų4992.9 Ų92.934%0.34348%0.477SS..Hα-helixtrans-58.8-46.4178.4171.50000112.5A17 L18 N23 E24 E25A17-S21 WeakPolarHBondContact O-CB 3.5Å; A17-S21 PolarHBondContact O-N 3.16Å; L18-S21 PolarHBondContact O-N 2.78Å; S21-N23 VanDerWaalsContact C-N 3.26Å; S21-N23 PolarHBondContact O-N 2.91Å; S21-E24 PolarHBondContact O-N 2.66Å; S21-E25 WeakPolarHBondContact O-CG 3.44Å; S21-E25 PolarHBondContact O-N 2.9Å
22L91.5Very high90.9Very high53 Ų5392.1 Ų92.128%0.27747%0.473SS..Hα-helixtrans-66.9-26.2177.1-69.3175.6000113.3L18 R20 G26 I27 L28L18-L22 HydrophobicContact CD1-CD1 4.06Å; L18-L22 HydrophobicContact CD1-CG 4.1Å; L18-L22 HydrophobicContact CG-CD1 3.89Å; L18-L22 HydrophobicContact CG-CG 4.31Å; L18-L22 WeakPolarHBondContact O-CB 3.36Å; L18-L22 VanDerWaalsContact O-CG 3.27Å; L18-L22 WeakPolarHBondContact O-CG 3.49Å; L18-L22 PolarHBondContact O-N 3.16Å; R20-L22 PolarHBondContact O-N 3.34Å; L22-G26 PolarHBondContact O-N 2.99Å; L22-I27 HydrophobicContact CD2-CB 4.21Å; L22-I27 HydrophobicContact CD2-CD1 4.02Å; L22-I27 HydrophobicContact CD2-CG2 4.18Å; L22-I27 PolarHBondContact O-N 3.24Å; L22-L28 HydrophobicContact CB-CB 4.26Å; L22-L28 PolarHBondContact O-N 3.16Å
23N91.4Very high91.5Very high89 Ų8990 Ų9048%0.47647%0.471SS..Hα-helixtrans-79.9-39.6174.8-169.558.6000111.9I19 R20 S21 G26 L28I19-N23 VanDerWaalsContact O-CB 3.26Å; I19-N23 WeakPolarHBondContact O-CB 3.42Å; I19-N23 PolarHBondContact O-N 3.24Å; R20-N23 PolarHBondContact O-N 2.82Å; R20-N23 VanDerWaalsContact O-N 3.12Å; S21-N23 VanDerWaalsContact C-N 3.26Å; S21-N23 PolarHBondContact O-N 2.91Å; N23-G26 PolarHBondContact O-N 2.76Å; N23-G26 VanDerWaalsContact O-N 3.08Å; N23-L28 HydrophobicContact CB-CB 4.49Å; N23-L28 HydrophobicContact CB-CD2 4.24Å
24E91.1Very high92Very high162 Ų16290.2 Ų90.276%0.75747%0.468SS*.Hα-helixtrans-64.8-39.6174.2-74.3172-163.300112.2R20 S21 G26R20-E24 WeakPolarHBondContact O-CB 3.48Å; R20-E24 WeakPolarHBondContact O-CG 3.28Å; R20-E24 PolarHBondContact O-N 3.42Å; S21-E24 PolarHBondContact O-N 2.66Å; E24-G26 PolarHBondContact O-N 3.24Å
25E91.5Very high92.3Very high134 Ų13489.4 Ų89.463%0.62646%0.464SS*.THydrogen-bonded Turntrans-73-5.4171.7-68.9-172.4179.600113.5S21 I27S21-E25 WeakPolarHBondContact O-CG 3.44Å; S21-E25 PolarHBondContact O-N 2.9Å; E25-I27 HydrophobicContact CB-CD1 4.09Å; E25-I27 HydrophobicContact CB-CG1 4.01Å; E25-I27 PolarHBondContact O-N 3.16Å; E25-I27 WeakPolarHBondContact OE2-CD1 3.11Å
26G90.4Very high92.5Very high34 Ų3490.9 Ų90.935%0.35147%0.471SS..THydrogen-bonded Turntrans70.99.3-178.600000114.9L22 N23 E24 K30L22-G26 PolarHBondContact O-N 2.99Å; N23-G26 PolarHBondContact O-N 2.76Å; N23-G26 VanDerWaalsContact O-N 3.08Å; E24-G26 PolarHBondContact O-N 3.24Å; G26-K30 WeakPolarHBondContact O-CB 3.44Å; G26-K30 PolarHBondContact O-N 3.23Å
27I94.6Very high92.6Very high77 Ų7789.9 Ų89.940%0.39548%0.476SS..Hα-helixtrans-69.9-43.7179.2-62.3177.1000110.7L22 E25 K30 L31L22-I27 HydrophobicContact CD2-CB 4.21Å; L22-I27 HydrophobicContact CD2-CD1 4.02Å; L22-I27 HydrophobicContact CD2-CG2 4.18Å; L22-I27 PolarHBondContact O-N 3.24Å; E25-I27 HydrophobicContact CB-CD1 4.09Å; E25-I27 HydrophobicContact CB-CG1 4.01Å; E25-I27 PolarHBondContact O-N 3.16Å; E25-I27 WeakPolarHBondContact OE2-CD1 3.11Å; I27-K30 WeakPolarHBondContact O-CB 3.33Å; I27-K30 PolarHBondContact O-N 2.82Å; I27-L31 PolarHBondContact O-N 2.96Å
28L89.9Confident92.7Very high52 Ų5290 Ų9027%0.27248%0.477SS..Hα-helixtrans-62.8-49.6-177.9-177.470.6000112.3I19 L22 N23 K30 L31 E32I19-L28 HydrophobicContact CG2-CD2 4.25Å; L22-L28 HydrophobicContact CB-CB 4.26Å; L22-L28 PolarHBondContact O-N 3.16Å; N23-L28 HydrophobicContact CB-CB 4.49Å; N23-L28 HydrophobicContact CB-CD2 4.24Å; L28-K30 VanDerWaalsContact C-N 3.27Å; L28-K30 PolarHBondContact O-N 2.89Å; L28-L31 PolarHBondContact O-N 2.95Å; L28-E32 PolarHBondContact O-N 3.05Å
29P92.7Very high92.6Very high63 Ų6388.9 Ų88.941%0.40947%0.474SS..Hα-helixtrans-58.2-35172.5-26.434.7000114.1A33P29-A33 WeakPolarHBondContact O-CB 3.21Å; P29-A33 PolarHBondContact O-N 3.3Å
30K94.6Very high92.4Very high135 Ų13592.3 Ų92.359%0.58748%0.483SS*.Hα-helixtrans-68.5-42.9177.3-176179.8179.3-178.30111.7G26 I27 L28 A33 Q34G26-K30 WeakPolarHBondContact O-CB 3.44Å; G26-K30 PolarHBondContact O-N 3.23Å; I27-K30 WeakPolarHBondContact O-CB 3.33Å; I27-K30 PolarHBondContact O-N 2.82Å; L28-K30 VanDerWaalsContact C-N 3.27Å; L28-K30 PolarHBondContact O-N 2.89Å; K30-A33 PolarHBondContact O-N 3.25Å; K30-Q34 WeakPolarHBondContact O-CB 3.45Å; K30-Q34 VanDerWaalsContact O-CG 3.29Å; K30-Q34 WeakPolarHBondContact O-CG 3.31Å; K30-Q34 PolarHBondContact O-N 3.15Å
31L95.4Very high92.2Very high103 Ų10389.5 Ų89.554%0.53948%0.478SS..Hα-helixtrans-65.3-41.7175.8-177.761.8000111.2I27 L28 Q34 L35I27-L31 PolarHBondContact O-N 2.96Å; L28-L31 PolarHBondContact O-N 2.95Å; L31-Q34 PolarHBondContact O-N 3.09Å; L31-L35 WeakPolarHBondContact O-CB 3.41Å; L31-L35 PolarHBondContact O-N 2.97Å
32E93.1Very high91.8Very high91 Ų9189.8 Ų89.843%0.42548%0.484SS..Hα-helixtrans-59-47.4172.1-80.4-166.1-156.900112.4L28 Q34 L35 K36L28-E32 PolarHBondContact O-N 3.05Å; E32-Q34 VanDerWaalsContact C-N 3.32Å; E32-Q34 PolarHBondContact O-N 2.93Å; E32-L35 PolarHBondContact O-N 3.09Å; E32-K36 WeakPolarHBondContact O-CB 3.49Å; E32-K36 WeakPolarHBondContact O-CD 3.39Å; E32-K36 VanDerWaalsContact O-CG 3.23Å; E32-K36 WeakPolarHBondContact O-CG 3.49Å; E32-K36 PolarHBondContact O-N 3.16Å; E32-K36 IonicContact OE2-NZ 3.24Å; E32-K36 PolarHBondContact OE2-NZ 3.42Å
33A94.3Very high91.4Very high57 Ų5791.9 Ų91.947%0.47150%0.495SS..Hα-helixtrans-62.8-40.1179.200000111.5P29 K30 A37P29-A33 WeakPolarHBondContact O-CB 3.21Å; P29-A33 PolarHBondContact O-N 3.3Å; K30-A33 PolarHBondContact O-N 3.25Å; A33-A37 VanDerWaalsContact O-CB 3.29Å; A33-A37 WeakPolarHBondContact O-CB 3.41Å; A33-A37 PolarHBondContact O-N 3.29Å
34Q95.1Very high90.5Very high110 Ų11090.9 Ų90.951%0.51449%0.487SS..Hα-helixtrans-64.6-42.4173.8-75.3177.1-22.400112.2K30 L31 E32 A37 A38K30-Q34 WeakPolarHBondContact O-CB 3.45Å; K30-Q34 VanDerWaalsContact O-CG 3.29Å; K30-Q34 WeakPolarHBondContact O-CG 3.31Å; K30-Q34 PolarHBondContact O-N 3.15Å; L31-Q34 PolarHBondContact O-N 3.09Å; E32-Q34 VanDerWaalsContact C-N 3.32Å; E32-Q34 PolarHBondContact O-N 2.93Å; Q34-A37 PolarHBondContact O-N 2.94Å; Q34-A38 VanDerWaalsContact O-CB 3.23Å; Q34-A38 WeakPolarHBondContact O-CB 3.25Å; Q34-A38 PolarHBondContact O-N 3.34Å
35L96.8Very high89.5Confident109 Ų10989.4 Ų89.457%0.57148%0.478SS*.Hα-helixtrans-66.3-44.8176.6-177.462.3000111.3L31 E32 A37 A38 V39L31-L35 WeakPolarHBondContact O-CB 3.41Å; L31-L35 PolarHBondContact O-N 2.97Å; E32-L35 PolarHBondContact O-N 3.09Å; L35-A37 VanDerWaalsContact C-N 3.33Å; L35-A37 PolarHBondContact O-N 3.35Å; L35-A38 PolarHBondContact O-N 3.28Å; L35-V39 HydrophobicContact CD1-CG2 4.24Å; L35-V39 HydrophobicContact CG-CG2 4.46Å; L35-V39 WeakPolarHBondContact O-CB 3.37Å; L35-V39 VanDerWaalsContact O-CG2 3.31Å; L35-V39 WeakPolarHBondContact O-CG2 3.37Å; L35-V39 PolarHBondContact O-N 3.16Å
36K94.3Very high88.1Confident133 Ų13387.6 Ų87.658%0.57847%0.469SS*.Hα-helixtrans-58-44.6174.6-73.7161.5178.4163.60111.1E32 Y40E32-K36 WeakPolarHBondContact O-CB 3.49Å; E32-K36 WeakPolarHBondContact O-CD 3.39Å; E32-K36 VanDerWaalsContact O-CG 3.23Å; E32-K36 WeakPolarHBondContact O-CG 3.49Å; E32-K36 PolarHBondContact O-N 3.16Å; E32-K36 IonicContact OE2-NZ 3.24Å; E32-K36 PolarHBondContact OE2-NZ 3.42Å; K36-Y40 WeakPolarHBondContact O-CB 3.38Å; K36-Y40 PolarHBondContact O-N 2.72Å
37A92.1Very high86.4Confident59 Ų5988.4 Ų88.449%0.48847%0.466SS..Hα-helixtrans-67.5-39.1175.200000113.1A33 Q34 L35 Y40 L41A33-A37 VanDerWaalsContact O-CB 3.29Å; A33-A37 WeakPolarHBondContact O-CB 3.41Å; A33-A37 PolarHBondContact O-N 3.29Å; Q34-A37 PolarHBondContact O-N 2.94Å; L35-A37 VanDerWaalsContact C-N 3.33Å; L35-A37 PolarHBondContact O-N 3.35Å; A37-Y40 PolarHBondContact O-N 3.22Å; A37-L41 VanDerWaalsContact O-CB 3.32Å; A37-L41 WeakPolarHBondContact O-CB 3.46Å; A37-L41 PolarHBondContact O-N 3.02Å
38A92Very high84.4Confident56 Ų5693 Ų9346%0.46348%0.479SS..Hα-helixtrans-68.9-38.7177.800000112.1Q34 L35 L41 A42Q34-A38 VanDerWaalsContact O-CB 3.23Å; Q34-A38 WeakPolarHBondContact O-CB 3.25Å; Q34-A38 PolarHBondContact O-N 3.34Å; L35-A38 PolarHBondContact O-N 3.28Å; A38-L41 PolarHBondContact O-N 3.15Å; A38-A42 WeakPolarHBondContact O-CB 3.24Å; A38-A42 PolarHBondContact O-N 3.03Å
39V90.2Very high82.6Confident75 Ų7594.4 Ų94.446%0.45550%0.499SS..Hα-helixtrans-65.8-45172.5170.40000110.4L35 L41 A42 L43L35-V39 HydrophobicContact CD1-CG2 4.24Å; L35-V39 HydrophobicContact CG-CG2 4.46Å; L35-V39 WeakPolarHBondContact O-CB 3.37Å; L35-V39 VanDerWaalsContact O-CG2 3.31Å; L35-V39 WeakPolarHBondContact O-CG2 3.37Å; L35-V39 PolarHBondContact O-N 3.16Å; V39-L41 PolarHBondContact O-N 2.77Å; V39-A42 PolarHBondContact O-N 3.02Å; V39-L43 HydrophobicContact CG1-CD1 4Å; V39-L43 HydrophobicContact CG1-CG 4.4Å; V39-L43 WeakPolarHBondContact O-CB 3.4Å; V39-L43 WeakPolarHBondContact O-CG 3.35Å; V39-L43 PolarHBondContact O-N 3.03Å
40Y87.9Confident80.6Confident157 Ų15797.7 Ų97.762%0.61651%0.509SS*.Hα-helixtrans-59.2-46.8174.4-177.4-85.4000111.6K36 A37 A42 L43 E44K36-Y40 WeakPolarHBondContact O-CB 3.38Å; K36-Y40 PolarHBondContact O-N 2.72Å; A37-Y40 PolarHBondContact O-N 3.22Å; Y40-A42 VanDerWaalsContact C-N 3.32Å; Y40-A42 PolarHBondContact O-N 3.26Å; Y40-L43 PolarHBondContact O-N 2.92Å; Y40-E44 HydrophobicContact CE1-CB 4.44Å; Y40-E44 VanDerWaalsContact O-CB 3.31Å; Y40-E44 WeakPolarHBondContact O-CB 3.43Å; Y40-E44 PolarHBondContact O-N 3.41Å
41L86.1Confident78.4Confident81 Ų8194.1 Ų94.142%0.42451%0.51SS..Hα-helixtrans-66.2-33.3177.3-178.462.7000112.5A37 A38 V39 K45A37-L41 VanDerWaalsContact O-CB 3.32Å; A37-L41 WeakPolarHBondContact O-CB 3.46Å; A37-L41 PolarHBondContact O-N 3.02Å; A38-L41 PolarHBondContact O-N 3.15Å; V39-L41 PolarHBondContact O-N 2.77Å; L41-K45 HydrophobicContact CD1-CG 4.45Å; L41-K45 HydrophobicContact CG-CD 4.34Å; L41-K45 VanDerWaalsContact O-CB 3.3Å; L41-K45 WeakPolarHBondContact O-CB 3.29Å; L41-K45 VanDerWaalsContact O-CG 3.24Å; L41-K45 WeakPolarHBondContact O-CG 3.45Å; L41-K45 PolarHBondContact O-N 3.46Å
42A83.7Confident76.1Confident56 Ų5693.5 Ų93.546%0.46351%0.506SS..Hα-helixtrans-68.6-44.2174.100000110.9A38 V39 Y40 K45 H46A38-A42 WeakPolarHBondContact O-CB 3.24Å; A38-A42 PolarHBondContact O-N 3.03Å; V39-A42 PolarHBondContact O-N 3.02Å; Y40-A42 VanDerWaalsContact C-N 3.32Å; Y40-A42 PolarHBondContact O-N 3.26Å; A42-K45 PolarHBondContact O-N 3.05Å; A42-H46 WeakPolarHBondContact O-CB 3.13Å; A42-H46 PolarHBondContact O-N 3.47Å
43L82.4Confident74.2Confident97 Ų9793.9 Ų93.951%0.50852%0.516SS..Hα-helixtrans-64.8-39.8173.8-70.7172.3000111.8V39 Y40 H46 N47V39-L43 HydrophobicContact CG1-CD1 4Å; V39-L43 HydrophobicContact CG1-CG 4.4Å; V39-L43 WeakPolarHBondContact O-CB 3.4Å; V39-L43 WeakPolarHBondContact O-CG 3.35Å; V39-L43 PolarHBondContact O-N 3.03Å; Y40-L43 PolarHBondContact O-N 2.92Å; L43-H46 PolarHBondContact O-N 2.84Å; L43-N47 VanDerWaalsContact O-CB 3.26Å; L43-N47 WeakPolarHBondContact O-CB 3.46Å; L43-N47 PolarHBondContact O-N 2.87Å; L43-N47 PolarHBondContact O-ND2 3.48Å; L43-N47 PolarHBondContact O-OD1 3.41Å
44E73.3Confident72.3Confident68 Ų6896 Ų9632%0.31852%0.52SS..Hα-helixtrans-61.5-50.5173.7179.3169.7-151.200110.6Y40 H46 N47 Y48Y40-E44 HydrophobicContact CE1-CB 4.44Å; Y40-E44 VanDerWaalsContact O-CB 3.31Å; Y40-E44 WeakPolarHBondContact O-CB 3.43Å; Y40-E44 PolarHBondContact O-N 3.41Å; E44-H46 VanDerWaalsContact C-N 3.32Å; E44-H46 PolarHBondContact O-N 3.44Å; E44-N47 PolarHBondContact O-N 2.99Å; E44-Y48 HydrophobicContact CG-CD2 3.9Å; E44-Y48 HydrophobicContact CG-CE2 3.42Å; E44-Y48 VanDerWaalsContact CG-CE2 3.42Å; E44-Y48 WeakPolarHBondContact O-CD2 3.31Å; E44-Y48 PolarHBondContact O-N 2.92Å
45K69.4Low70.4Confident131 Ų13192.8 Ų92.857%0.5751%0.509SS*.Hα-helixtrans-61.1-37.6173.9-75.8175.6178.8-178.40113.1L41 A42 Y48 A49L41-K45 HydrophobicContact CD1-CG 4.45Å; L41-K45 HydrophobicContact CG-CD 4.34Å; L41-K45 VanDerWaalsContact O-CB 3.3Å; L41-K45 WeakPolarHBondContact O-CB 3.29Å; L41-K45 VanDerWaalsContact O-CG 3.24Å; L41-K45 WeakPolarHBondContact O-CG 3.45Å; L41-K45 PolarHBondContact O-N 3.46Å; A42-K45 PolarHBondContact O-N 3.05Å; K45-Y48 CarbonylContact O-C 3.48Å; K45-Y48 PolarHBondContact O-N 2.99Å; K45-A49 WeakPolarHBondContact O-CB 3.25Å; K45-A49 PolarHBondContact O-N 3.3Å
46H61.7Low68.9Low95 Ų9591 Ų9144%0.4450%0.5SS..Hα-helixtrans-72.8-38.9180-166.7-84.1000111.3A42 L43 E44 Y48 A49 E50A42-H46 WeakPolarHBondContact O-CB 3.13Å; A42-H46 PolarHBondContact O-N 3.47Å; L43-H46 PolarHBondContact O-N 2.84Å; E44-H46 VanDerWaalsContact C-N 3.32Å; E44-H46 PolarHBondContact O-N 3.44Å; H46-Y48 PolarHBondContact O-N 3.27Å; H46-A49 PolarHBondContact O-N 2.89Å; H46-A49 VanDerWaalsContact O-N 3.09Å; H46-E50 IonicContact NE2-OE1 2.64Å; H46-E50 IonicContact NE2-OE2 2.62Å; H46-E50 PolarHBondContact NE2-OE2 3.05Å; H46-E50 PolarHBondContact O-N 3.42Å
47N55.5Low67.9Low52 Ų5291.7 Ų91.728%0.27851%0.505SS..Hα-helixtrans-62.3-32.3169.8-67-15.8000111.4L43 E44 L54L43-N47 VanDerWaalsContact O-CB 3.26Å; L43-N47 WeakPolarHBondContact O-CB 3.46Å; L43-N47 PolarHBondContact O-N 2.87Å; L43-N47 PolarHBondContact O-ND2 3.48Å; L43-N47 PolarHBondContact O-OD1 3.41Å; E44-N47 PolarHBondContact O-N 2.99Å; N47-L54 HydrophobicContact CB-CD1 3.97Å
48Y52.4Low67.4Low173 Ų17393 Ų9368%0.67851%0.51SS*.Hα-helixtrans-80-19171.6-67.8-50.5000114.8E44 K45 H46E44-Y48 HydrophobicContact CG-CD2 3.9Å; E44-Y48 HydrophobicContact CG-CE2 3.42Å; E44-Y48 VanDerWaalsContact CG-CE2 3.42Å; E44-Y48 WeakPolarHBondContact O-CD2 3.31Å; E44-Y48 PolarHBondContact O-N 2.92Å; K45-Y48 CarbonylContact O-C 3.48Å; K45-Y48 PolarHBondContact O-N 2.99Å; H46-Y48 PolarHBondContact O-N 3.27Å
49A51.8Low67.1Low82 Ų8291.8 Ų91.868%0.67850%0.496SS*.Hα-helixtrans-108.6-33.4-172.700000114.7K45 H46K45-A49 WeakPolarHBondContact O-CB 3.25Å; K45-A49 PolarHBondContact O-N 3.3Å; H46-A49 PolarHBondContact O-N 2.89Å; H46-A49 VanDerWaalsContact O-N 3.09Å
50E50.6Low66.7Low132 Ų13294.1 Ų94.162%0.61750%0.497SS*.SBendtrans-100.430.6176.8-68.9-151.6175.600113H46 I52H46-E50 IonicContact NE2-OE1 2.64Å; H46-E50 IonicContact NE2-OE2 2.62Å; H46-E50 PolarHBondContact NE2-OE2 3.05Å; H46-E50 PolarHBondContact O-N 3.42Å; E50-I52 VanDerWaalsContact C-N 3.29Å; E50-I52 PolarHBondContact O-N 2.89Å
51G48Very low66.6Low60 Ų6090.1 Ų90.162%0.61949%0.491SS*.  trans68.11715500000117P53G51-P53 WeakPolarHBondContact O-CD 3.3Å; G51-P53 VanDerWaalsContact O-N 3.16Å
52I47.1Very low66.8Low89 Ų8989.4 Ų89.446%0.45649%0.488SS..  trans-64.5110.5160.2-60.2174.4000106E50 L54E50-I52 VanDerWaalsContact C-N 3.29Å; E50-I52 PolarHBondContact O-N 2.89Å; I52-L54 HydrophobicContact CG2-CG 4.33Å; I52-L54 PolarHBondContact O-N 3.49Å
53P53.2Low67Low99 Ų9987.8 Ų87.864%0.64347%0.47SS*.  trans-81.471.1-170.43.314.6000110.2G51 S55G51-P53 WeakPolarHBondContact O-CD 3.3Å; G51-P53 VanDerWaalsContact O-N 3.16Å; P53-S55 WeakPolarHBondContact CB-O 3.24Å; P53-S55 CarbonylContact O-C 3.34Å; P53-S55 PolarHBondContact O-N 2.83Å; P53-S55 VanDerWaalsContact O-N 3.12Å
54L54.7Low67.2Low103 Ų10388 Ų8854%0.53948%0.48SS..SBendtrans-62.1-8.8163.3-72169.5000111.5N47 I52 Q96N47-L54 HydrophobicContact CB-CD1 3.97Å; I52-L54 HydrophobicContact CG2-CG 4.33Å; I52-L54 PolarHBondContact O-N 3.49Å; L54-Q96 PolarHBondContact O-NE2 3.42Å
55S55.6Low68.1Low41 Ų4187.9 Ų87.929%0.28748%0.484SS..SBendtrans-107.5111.4151.858.30000110P53 Q57P53-S55 WeakPolarHBondContact CB-O 3.24Å; P53-S55 CarbonylContact O-C 3.34Å; P53-S55 PolarHBondContact O-N 2.83Å; P53-S55 VanDerWaalsContact O-N 3.12Å; S55-Q57 PolarHBondContact O-N 3.05Å
56N63.9Low69.1Low71 Ų7188.7 Ų88.738%0.3849%0.489SS..  trans-69.188.5161-177.1-27.6000106.8S58 I59 R60N56-S58 PolarHBondContact O-N 2.72Å; N56-S58 PolarHBondContact OD1-OG 3.16Å; N56-I59 HydrophobicContact CB-CB 3.96Å; N56-I59 HydrophobicContact CB-CG2 3.82Å; N56-I59 WeakPolarHBondContact O-CA 3.4Å; N56-I59 WeakPolarHBondContact O-CG2 3.46Å; N56-I59 PolarHBondContact O-N 3.39Å; N56-I59 PolarHBondContact OD1-N 3.02Å; N56-R60 PolarHBondContact O-N 2.67Å
57Q74.5Confident70.5Confident149 Ų14989.7 Ų89.770%0.69650%0.498SS*.Hα-helixtrans-57.4-38.4-172.7-68-171.55.400111.6S55 I59 R60 S61S55-Q57 PolarHBondContact O-N 3.05Å; Q57-I59 VanDerWaalsContact C-N 3.33Å; Q57-I59 PolarHBondContact O-N 3.22Å; Q57-R60 PolarHBondContact O-N 2.96Å; Q57-R60 VanDerWaalsContact O-N 3.16Å; Q57-S61 PolarHBondContact O-N 3.17Å; Q57-S61 PolarHBondContact O-OG 3.06Å
58S81.9Confident72.2Confident85 Ų8587.2 Ų87.259%0.59449%0.485SS*.Hα-helixtrans-56.1-41.1171.424.90000113.3N56 S61 L62N56-S58 PolarHBondContact O-N 2.72Å; N56-S58 PolarHBondContact OD1-OG 3.16Å; S58-S61 WeakPolarHBondContact CA-OG 3.23Å; S58-S61 PolarHBondContact O-OG 3.38Å; S58-L62 WeakPolarHBondContact O-CB 3.14Å; S58-L62 PolarHBondContact O-N 3.17Å
59I84.3Confident74.1Confident31 Ų3181.1 Ų81.116%0.15946%0.464CS..Hα-helixtrans-70.7-36.5176.3-130172.3000111.7N56 Q57 L62 W63 A95N56-I59 HydrophobicContact CB-CB 3.96Å; N56-I59 HydrophobicContact CB-CG2 3.82Å; N56-I59 WeakPolarHBondContact O-CA 3.4Å; N56-I59 WeakPolarHBondContact O-CG2 3.46Å; N56-I59 PolarHBondContact O-N 3.39Å; N56-I59 PolarHBondContact OD1-N 3.02Å; Q57-I59 VanDerWaalsContact C-N 3.33Å; Q57-I59 PolarHBondContact O-N 3.22Å; I59-L62 WeakPolarHBondContact O-CB 3.46Å; I59-L62 PolarHBondContact O-N 2.98Å; I59-W63 HydrophobicContact CD1-CZ2 3.73Å; I59-W63 HydrophobicContact CG1-CD2 4.42Å; I59-W63 HydrophobicContact CG1-CH2 4.42Å; I59-W63 HydrophobicContact CG1-CZ2 3.69Å; I59-W63 WeakPolarHBondContact O-CB 3.47Å; I59-W63 VanDerWaalsContact O-CD1 3.25Å; I59-W63 PolarHBondContact O-N 2.97Å; I59-A95 HydrophobicContact CD1-CB 3.63Å
60R83.3Confident76Confident125 Ų12578 Ų7847%0.47244%0.435SS..Hα-helixtrans-66.9-40.3175.7-69.8-177.3174.3-102.81.1112.1N56 Q57 L62 S64N56-R60 PolarHBondContact O-N 2.67Å; Q57-R60 PolarHBondContact O-N 2.96Å; Q57-R60 VanDerWaalsContact O-N 3.16Å; R60-L62 VanDerWaalsContact C-N 3.33Å; R60-S64 PolarHBondContact O-N 3.4Å; R60-S64 VanDerWaalsContact O-N 3.16Å; R60-S64 PolarHBondContact O-OG 3.31Å
61S85.5Confident78.1Confident72 Ų7275.9 Ų75.950%0.50343%0.427SS..Hα-helixtrans-65.2-37.4171.550.30000112Q57 S58 S64Q57-S61 PolarHBondContact O-N 3.17Å; Q57-S61 PolarHBondContact O-OG 3.06Å; S58-S61 WeakPolarHBondContact CA-OG 3.23Å; S58-S61 PolarHBondContact O-OG 3.38Å; S61-S64 WeakPolarHBondContact O-CB 3.34Å; S61-S64 PolarHBondContact O-N 3.48Å
62L88.9Confident80.2Confident67 Ų6773 Ų7335%0.35140%0.398SS..Hα-helixtrans-64-51.7175.4-174.964.6000110.9S58 I59 R60 S64 T65 G68S58-L62 WeakPolarHBondContact O-CB 3.14Å; S58-L62 PolarHBondContact O-N 3.17Å; I59-L62 WeakPolarHBondContact O-CB 3.46Å; I59-L62 PolarHBondContact O-N 2.98Å; R60-L62 VanDerWaalsContact C-N 3.33Å; L62-S64 PolarHBondContact O-N 3.4Å; L62-T65 PolarHBondContact O-N 2.99Å; L62-T65 PolarHBondContact O-OG1 2.99Å; L62-G68 WeakPolarHBondContact O-CA 3.12Å
63W89.4Confident82.4Confident21 Ų2168.9 Ų68.98%0.0838%0.377CS..Hα-helixtrans-64.5-10177-55.2154.4000114.7I59 G68 I71 A72 A95 M97 L100I59-W63 HydrophobicContact CD1-CZ2 3.73Å; I59-W63 HydrophobicContact CG1-CD2 4.42Å; I59-W63 HydrophobicContact CG1-CH2 4.42Å; I59-W63 HydrophobicContact CG1-CZ2 3.69Å; I59-W63 WeakPolarHBondContact O-CB 3.47Å; I59-W63 VanDerWaalsContact O-CD1 3.25Å; I59-W63 PolarHBondContact O-N 2.97Å; W63-G68 VanDerWaalsContact CE3-O 3.28Å; W63-G68 WeakPolarHBondContact CZ3-O 3.38Å; W63-I71 HydrophobicContact CZ3-CG2 4.46Å; W63-A72 HydrophobicContact CD2-CB 4.45Å; W63-A72 HydrophobicContact CE3-CB 3.84Å; W63-A72 HydrophobicContact CH2-CB 3.84Å; W63-A72 HydrophobicContact CZ2-CB 4.44Å; W63-A72 HydrophobicContact CZ3-CB 3.53Å; W63-A95 HydrophobicContact CZ2-CB 4.24Å; W63-A95 PolarHBondContact NE1-O 3.4Å; W63-M97 HydrophobicContact CH2-CE 4.41Å; W63-M97 HydrophobicContact CH2-SD 3.91Å; W63-M97 HydrophobicContact CZ2-CE 3.87Å; W63-M97 HydrophobicContact CZ2-CG 3.78Å; W63-M97 HydrophobicContact CZ2-SD 3.41Å; W63-M97 WeakPolarHBondContact CZ2-SD 3.35Å; W63-L100 HydrophobicContact CB-CD1 3.84Å; W63-L100 HydrophobicContact CB-CD2 3.83Å; W63-L100 HydrophobicContact CD2-CD1 3.95Å; W63-L100 HydrophobicContact CG-CD1 3.54Å; W63-L100 HydrophobicContact CG-CD2 4.37Å
64S86.2Confident84.3Confident102 Ų10264.7 Ų64.771%0.71335%0.349SS*.THydrogen-bonded Turntrans-86.2-6.1171.7-55.90000113R60 S61 L62R60-S64 PolarHBondContact O-N 3.4Å; R60-S64 VanDerWaalsContact O-N 3.16Å; R60-S64 PolarHBondContact O-OG 3.31Å; S61-S64 WeakPolarHBondContact O-CB 3.34Å; S61-S64 PolarHBondContact O-N 3.48Å; L62-S64 PolarHBondContact O-N 3.4Å
65T91.2Very high86.1Confident66 Ų6662.5 Ų62.541%0.40534%0.338SS..SBendtrans-102.4151.7173.872.40000111.5L62 G68 L69L62-T65 PolarHBondContact O-N 2.99Å; L62-T65 PolarHBondContact O-OG1 2.99Å; T65-G68 PolarHBondContact O-N 2.86Å; T65-G68 VanDerWaalsContact O-N 3.15Å; T65-G68 PolarHBondContact OG1-N 3.44Å; T65-G68 VanDerWaalsContact OG1-N 3.09Å; T65-L69 PolarHBondContact O-N 3.06Å
66E90.8Very high87.9Confident147 Ų14761.5 Ų61.569%0.68733%0.33SS*.Hα-helixtrans-59-48.8176.2-176.2172.6-172.600111.6G68 L69 I70E66-G68 PolarHBondContact O-N 3.49Å; E66-L69 PolarHBondContact O-N 2.89Å; E66-L69 VanDerWaalsContact O-N 3.09Å; E66-I70 HydrophobicContact CG-CD1 4.29Å; E66-I70 WeakPolarHBondContact O-CG1 3.48Å; E66-I70 PolarHBondContact O-N 3.41Å
67D91.1Very high89.3Confident117 Ų11759 Ų5963%0.62632%0.316SS*.Hα-helixtrans-55.1-38.9173.6-69.3-28000112.3I70 I71D67-I70 PolarHBondContact O-N 2.88Å; D67-I71 WeakPolarHBondContact O-CD1 3.12Å; D67-I71 VanDerWaalsContact O-CG1 3.23Å; D67-I71 WeakPolarHBondContact O-CG1 3.46Å; D67-I71 PolarHBondContact O-N 2.77Å
68G92Very high90.2Very high0 Ų055.3 Ų55.30%030%0.298CS..Hα-helixtrans-67.2-40.8177.100000112.9L62 W63 T65 E66 I70 I71 A72L62-G68 WeakPolarHBondContact O-CA 3.12Å; W63-G68 VanDerWaalsContact CE3-O 3.28Å; W63-G68 WeakPolarHBondContact CZ3-O 3.38Å; T65-G68 PolarHBondContact O-N 2.86Å; T65-G68 VanDerWaalsContact O-N 3.15Å; T65-G68 PolarHBondContact OG1-N 3.44Å; T65-G68 VanDerWaalsContact OG1-N 3.09Å; E66-G68 PolarHBondContact O-N 3.49Å; G68-I70 VanDerWaalsContact C-N 3.32Å; G68-I70 PolarHBondContact O-N 2.48Å; G68-I71 PolarHBondContact O-N 3.12Å; G68-A72 WeakPolarHBondContact O-CB 3.26Å; G68-A72 PolarHBondContact O-N 3.32Å
69L92Very high90.8Very high45 Ų4552.4 Ų52.424%0.23628%0.275CS..Hα-helixtrans-64-37.2172.8-68.6175000111.8T65 E66 A72 S73 L100 L103T65-L69 PolarHBondContact O-N 3.06Å; E66-L69 PolarHBondContact O-N 2.89Å; E66-L69 VanDerWaalsContact O-N 3.09Å; L69-A72 PolarHBondContact O-N 3.25Å; L69-S73 VanDerWaalsContact O-CB 3.3Å; L69-S73 WeakPolarHBondContact O-CB 3.02Å; L69-S73 PolarHBondContact O-N 2.87Å; L69-S73 PolarHBondContact O-OG 2.77Å; L69-L100 HydrophobicContact CD2-CB 4.3Å; L69-L100 HydrophobicContact CD2-CD1 4.45Å; L69-L100 HydrophobicContact CD2-CD2 4.2Å; L69-L103 HydrophobicContact CB-CD1 3.99Å
70I92.5Very high91.1Very high16 Ų1655.1 Ų55.18%0.08229%0.29CS..Hα-helixtrans-62.9-46.7172.8-65165.4000110.2E66 D67 G68 S73 L74 L108 I111 L112E66-I70 HydrophobicContact CG-CD1 4.29Å; E66-I70 WeakPolarHBondContact O-CG1 3.48Å; E66-I70 PolarHBondContact O-N 3.41Å; D67-I70 PolarHBondContact O-N 2.88Å; G68-I70 VanDerWaalsContact C-N 3.32Å; G68-I70 PolarHBondContact O-N 2.48Å; I70-S73 PolarHBondContact O-N 2.84Å; I70-L74 HydrophobicContact CG2-CD1 4.03Å; I70-L74 HydrophobicContact CG2-CG 4.39Å; I70-L74 WeakPolarHBondContact O-CB 3.31Å; I70-L74 VanDerWaalsContact O-CG 3.31Å; I70-L74 WeakPolarHBondContact O-CG 3.33Å; I70-L74 PolarHBondContact O-N 3.24Å; I70-L108 HydrophobicContact CG2-CD2 4.1Å; I70-I111 HydrophobicContact CD1-CG2 3.88Å; I70-L112 HydrophobicContact CG2-CD1 4.19Å; I70-L112 HydrophobicContact CG2-CD2 4.32Å; I70-L112 HydrophobicContact CG2-CG 4.47Å
71I93.3Very high91.4Very high87 Ų8752 Ų5245%0.44628%0.282SS..Hα-helixtrans-61.3-44.6176.8-69.7161.9000111.7W63 D67 G68 S73 L74 L75W63-I71 HydrophobicContact CZ3-CG2 4.46Å; D67-I71 WeakPolarHBondContact O-CD1 3.12Å; D67-I71 VanDerWaalsContact O-CG1 3.23Å; D67-I71 WeakPolarHBondContact O-CG1 3.46Å; D67-I71 PolarHBondContact O-N 2.77Å; G68-I71 PolarHBondContact O-N 3.12Å; I71-S73 VanDerWaalsContact C-N 3.33Å; I71-S73 PolarHBondContact O-N 3.49Å; I71-L74 PolarHBondContact O-N 3.24Å; I71-L75 WeakPolarHBondContact O-CB 3.24Å; I71-L75 PolarHBondContact O-N 3.41Å
72A92.9Very high91.7Very high0 Ų053.5 Ų53.50%028%0.282CS..Hα-helixtrans-56.3-50.1175.500000110.9W63 G68 L69 L75 V76 M97 L102W63-A72 HydrophobicContact CD2-CB 4.45Å; W63-A72 HydrophobicContact CE3-CB 3.84Å; W63-A72 HydrophobicContact CH2-CB 3.84Å; W63-A72 HydrophobicContact CZ2-CB 4.44Å; W63-A72 HydrophobicContact CZ3-CB 3.53Å; G68-A72 WeakPolarHBondContact O-CB 3.26Å; G68-A72 PolarHBondContact O-N 3.32Å; L69-A72 PolarHBondContact O-N 3.25Å; A72-L75 PolarHBondContact O-N 2.78Å; A72-V76 VanDerWaalsContact O-CG2 3.25Å; A72-V76 WeakPolarHBondContact O-CG2 3.42Å; A72-V76 PolarHBondContact O-N 3.36Å; A72-M97 HydrophobicContact CB-SD 3.76Å; A72-L102 HydrophobicContact CB-CD2 3.66Å
73S92.7Very high91.9Very high2 Ų258.4 Ų58.41%0.01430%0.301CS..Hα-helixtrans-69.3-36.5-175.7-51.70000111.9L69 I70 I71 V76 D77 L103L69-S73 VanDerWaalsContact O-CB 3.3Å; L69-S73 WeakPolarHBondContact O-CB 3.02Å; L69-S73 PolarHBondContact O-N 2.87Å; L69-S73 PolarHBondContact O-OG 2.77Å; I70-S73 PolarHBondContact O-N 2.84Å; I71-S73 VanDerWaalsContact C-N 3.33Å; I71-S73 PolarHBondContact O-N 3.49Å; S73-V76 PolarHBondContact O-N 2.87Å; S73-D77 WeakPolarHBondContact O-CB 3.42Å; S73-D77 PolarHBondContact O-N 3Å; S73-L103 PolarHBondContact OG-N 3.44Å
74L93.2Very high92.1Very high12 Ų1260.7 Ų60.76%0.06331%0.314CS..Hα-helixtrans-62.1-40.9170.8-78.2172.8000112.7I70 I71 F78 L108 L112 V123 L124 L127I70-L74 HydrophobicContact CG2-CD1 4.03Å; I70-L74 HydrophobicContact CG2-CG 4.39Å; I70-L74 WeakPolarHBondContact O-CB 3.31Å; I70-L74 VanDerWaalsContact O-CG 3.31Å; I70-L74 WeakPolarHBondContact O-CG 3.33Å; I70-L74 PolarHBondContact O-N 3.24Å; I71-L74 PolarHBondContact O-N 3.24Å; L74-F78 WeakPolarHBondContact O-CB 2.84Å; L74-F78 PolarHBondContact O-N 2.75Å; L74-L108 HydrophobicContact CD2-CD1 4.47Å; L74-L108 HydrophobicContact CG-CD2 4.34Å; L74-L112 HydrophobicContact CD1-CD1 4Å; L74-L112 HydrophobicContact CD2-CD1 3.76Å; L74-L112 HydrophobicContact CG-CD1 4.17Å; L74-V123 HydrophobicContact CD2-CB 3.86Å; L74-V123 HydrophobicContact CD2-CG1 3.72Å; L74-L124 HydrophobicContact CD1-CD1 4.46Å; L74-L124 HydrophobicContact CD2-CB 4.44Å; L74-L127 HydrophobicContact CD1-CD2 4.29Å
75L93.8Very high92.4Very high57 Ų5762.1 Ų62.130%0.29831%0.309SS..Hα-helixtrans-67.9-38.9178.2-174.858.1000111.3I71 A72 M79 L91I71-L75 WeakPolarHBondContact O-CB 3.24Å; I71-L75 PolarHBondContact O-N 3.41Å; A72-L75 PolarHBondContact O-N 2.78Å; L75-M79 HydrophobicContact CD1-CE 4.09Å; L75-M79 HydrophobicContact CG-CE 4.48Å; L75-M79 WeakPolarHBondContact O-CG 3.43Å; L75-M79 PolarHBondContact O-N 3.09Å; L75-L91 HydrophobicContact CD2-CD1 4.43Å; L75-L91 HydrophobicContact CD2-CD2 3.61Å; L75-L91 HydrophobicContact CG-CD2 3.82Å
76V93.3Very high92.6Very high20 Ų2065.4 Ų65.412%0.12133%0.325CS..Hα-helixtrans-67.3-46.9175.5172.50000111.7A72 S73 F78 M79 N80 L88 M92 L102A72-V76 VanDerWaalsContact O-CG2 3.25Å; A72-V76 WeakPolarHBondContact O-CG2 3.42Å; A72-V76 PolarHBondContact O-N 3.36Å; S73-V76 PolarHBondContact O-N 2.87Å; V76-F78 VanDerWaalsContact C-N 3.33Å; V76-F78 PolarHBondContact O-N 2.98Å; V76-M79 PolarHBondContact O-N 3.36Å; V76-N80 WeakPolarHBondContact CG1-ND2 3.3Å; V76-N80 WeakPolarHBondContact O-CB 3.21Å; V76-N80 PolarHBondContact O-N 3.33Å; V76-N80 PolarHBondContact O-ND2 3.28Å; V76-L88 HydrophobicContact CB-CD1 4.46Å; V76-L88 HydrophobicContact CG1-CD1 4.35Å; V76-L88 HydrophobicContact CG2-CD1 4.04Å; V76-M92 HydrophobicContact CG2-CE 3.43Å; V76-M92 VanDerWaalsContact CG2-CE 3.43Å; V76-M92 HydrophobicContact CG2-SD 4.41Å; V76-L102 HydrophobicContact CG1-CD1 4.32Å; V76-L102 HydrophobicContact CG2-CD1 3.91Å; V76-L102 HydrophobicContact CG2-CD2 4.4Å
77D92Very high92.9Very high18 Ų1861.9 Ų61.910%0.09631%0.313CS..Hα-helixtrans-57.2-45.3173.5174.781.9000111.4S73 N80 M81 R105 L108 P122 V123S73-D77 WeakPolarHBondContact O-CB 3.42Å; S73-D77 PolarHBondContact O-N 3Å; D77-N80 PolarHBondContact O-N 3.37Å; D77-M81 WeakPolarHBondContact O-CB 3.31Å; D77-M81 PolarHBondContact O-N 2.78Å; D77-R105 VanDerWaalsContact OD1-CD 3.29Å; D77-R105 WeakPolarHBondContact OD1-CD 3.45Å; D77-R105 WeakPolarHBondContact OD1-CG 3.33Å; D77-R105 IonicContact OD1-NE 2.8Å; D77-R105 PolarHBondContact OD1-NE 3.49Å; D77-L108 HydrophobicContact CB-CD1 4.45Å; D77-P122 VanDerWaalsContact OD2-CA 3.31Å; D77-P122 WeakPolarHBondContact OD2-CA 3.5Å; D77-V123 PolarHBondContact OD2-N 3.43Å
78F93.7Very high93Very high71 Ų7157 Ų5731%0.31129%0.287SS..Hα-helixtrans-59.4-49.9176178.3-94.9000112.3L74 V76 N80 M81 M82 P122 L124L74-F78 WeakPolarHBondContact O-CB 2.84Å; L74-F78 PolarHBondContact O-N 2.75Å; V76-F78 VanDerWaalsContact C-N 3.33Å; V76-F78 PolarHBondContact O-N 2.98Å; F78-N80 PolarHBondContact O-N 2.87Å; F78-M81 PolarHBondContact O-N 2.94Å; F78-M82 HydrophobicContact CD1-CG 4.37Å; F78-M82 HydrophobicContact CD2-CG 4.31Å; F78-M82 HydrophobicContact CE1-CG 3.98Å; F78-M82 HydrophobicContact CE2-CG 3.91Å; F78-M82 HydrophobicContact CE2-SD 4.47Å; F78-M82 HydrophobicContact CZ-CG 3.73Å; F78-M82 WeakPolarHBondContact O-CB 3.19Å; F78-M82 VanDerWaalsContact O-CG 3.25Å; F78-M82 WeakPolarHBondContact O-CG 3.32Å; F78-M82 PolarHBondContact O-N 3.12Å; F78-P122 HydrophobicContact CB-CB 4.29Å; F78-P122 HydrophobicContact CD2-CB 3.89Å; F78-P122 HydrophobicContact CD2-CG 3.76Å; F78-P122 HydrophobicContact CE2-CG 4.26Å; F78-L124 HydrophobicContact CD2-CD2 4.46Å
79M93.8Very high93.1Very high24 Ų2461.8 Ų61.812%0.11831%0.312CS..Hα-helixtrans-66.5-36.5-179.5-71.9-166.2176.500112.9L75 V76 M82 K83 L84 T87 L88 L91L75-M79 HydrophobicContact CD1-CE 4.09Å; L75-M79 HydrophobicContact CG-CE 4.48Å; L75-M79 WeakPolarHBondContact O-CG 3.43Å; L75-M79 PolarHBondContact O-N 3.09Å; V76-M79 PolarHBondContact O-N 3.36Å; M79-M82 CarbonylContact O-C 3.52Å; M79-M82 PolarHBondContact O-N 3.35Å; M79-K83 PolarHBondContact O-N 3.21Å; M79-K83 VanDerWaalsContact O-N 3.07Å; M79-L84 HydrophobicContact CB-CB 4.37Å; M79-L84 PolarHBondContact O-N 3.44Å; M79-T87 HydrophobicContact CE-CG2 3.98Å; M79-T87 HydrophobicContact SD-CG2 4.22Å; M79-L88 HydrophobicContact CB-CB 4.14Å; M79-L88 HydrophobicContact CB-CD1 4.18Å; M79-L88 HydrophobicContact SD-CB 4.17Å; M79-L88 HydrophobicContact SD-CD1 4.22Å; M79-L91 HydrophobicContact CE-CD2 3.63Å; M79-L91 HydrophobicContact SD-CB 4.47Å; M79-L91 HydrophobicContact SD-CD2 3.56Å; M79-L91 VanDerWaalsContact SD-CD2 3.56Å
80N91.7Very high93.1Very high89 Ų8964 Ų6448%0.47633%0.327SS..Hα-helixtrans-64.2-48.3173.7-79.8-35.3000111.7V76 D77 F78 M82 K83 L88V76-N80 WeakPolarHBondContact CG1-ND2 3.3Å; V76-N80 WeakPolarHBondContact O-CB 3.21Å; V76-N80 PolarHBondContact O-N 3.33Å; V76-N80 PolarHBondContact O-ND2 3.28Å; D77-N80 PolarHBondContact O-N 3.37Å; F78-N80 PolarHBondContact O-N 2.87Å; N80-M82 VanDerWaalsContact C-N 3.28Å; N80-M82 PolarHBondContact O-N 3.37Å; N80-K83 PolarHBondContact O-N 2.82Å; N80-L88 WeakPolarHBondContact OD1-CD2 3.33Å
81M90Very high93.1Very high59 Ų5964.8 Ų64.829%0.29133%0.332SS..Hα-helixtrans-61.9-37.3178.1-170.364.167.300112D77 F78 K83 S119 P122D77-M81 WeakPolarHBondContact O-CB 3.31Å; D77-M81 PolarHBondContact O-N 2.78Å; F78-M81 PolarHBondContact O-N 2.94Å; M81-K83 VanDerWaalsContact C-N 3.26Å; M81-K83 PolarHBondContact O-N 2.91Å; M81-S119 WeakPolarHBondContact CE-O 3.38Å; M81-P122 HydrophobicContact CB-CB 4.09Å; M81-P122 HydrophobicContact CG-CB 4.22Å
82M91.7Very high93Very high103 Ų10361.8 Ų61.851%0.50732%0.316SS..THydrogen-bonded Turntrans-80.2-0.8175.5-64.4-58.7-60.900114F78 M79 N80 L84F78-M82 HydrophobicContact CD1-CG 4.37Å; F78-M82 HydrophobicContact CD2-CG 4.31Å; F78-M82 HydrophobicContact CE1-CG 3.98Å; F78-M82 HydrophobicContact CE2-CG 3.91Å; F78-M82 HydrophobicContact CE2-SD 4.47Å; F78-M82 HydrophobicContact CZ-CG 3.73Å; F78-M82 WeakPolarHBondContact O-CB 3.19Å; F78-M82 VanDerWaalsContact O-CG 3.25Å; F78-M82 WeakPolarHBondContact O-CG 3.32Å; F78-M82 PolarHBondContact O-N 3.12Å; M79-M82 CarbonylContact O-C 3.52Å; M79-M82 PolarHBondContact O-N 3.35Å; N80-M82 VanDerWaalsContact C-N 3.28Å; N80-M82 PolarHBondContact O-N 3.37Å; M82-L84 VanDerWaalsContact C-N 3.29Å; M82-L84 HydrophobicContact CB-CD1 3.96Å; M82-L84 HydrophobicContact CB-CG 3.85Å; M82-L84 PolarHBondContact O-N 3Å
83K91.7Very high92.7Very high171 Ų17165.9 Ų65.974%0.74334%0.338SS*.THydrogen-bonded Turntrans56.636.5-179-54.1-176.7-179.7-177.10114M79 N80 M81 E85M79-K83 PolarHBondContact O-N 3.21Å; M79-K83 VanDerWaalsContact O-N 3.07Å; N80-K83 PolarHBondContact O-N 2.82Å; M81-K83 VanDerWaalsContact C-N 3.26Å; M81-K83 PolarHBondContact O-N 2.91Å; K83-E85 PolarHBondContact O-N 3.37Å
84L93.8Very high92.5Very high69 Ų6972.8 Ų72.836%0.36137%0.37SS..  trans-89.347.3-178.6-61.3178.2000111.9M79 M82 N86 T87 L88M79-L84 HydrophobicContact CB-CB 4.37Å; M79-L84 PolarHBondContact O-N 3.44Å; M82-L84 VanDerWaalsContact C-N 3.29Å; M82-L84 HydrophobicContact CB-CD1 3.96Å; M82-L84 HydrophobicContact CB-CG 3.85Å; M82-L84 PolarHBondContact O-N 3Å; L84-N86 VanDerWaalsContact C-N 3.31Å; L84-N86 PolarHBondContact O-N 3.01Å; L84-T87 PolarHBondContact O-N 3.18Å; L84-L88 WeakPolarHBondContact O-CB 3.43Å; L84-L88 PolarHBondContact O-N 3.07Å
85E94Very high92.2Very high132 Ų13272.4 Ų72.462%0.61737%0.369SS*.Hα-helixtrans-52.5-44.1-171.7-64.7172.7-161.400113.1K83 L88 N89K83-E85 PolarHBondContact O-N 3.37Å; E85-L88 PolarHBondContact O-N 3.45Å; E85-N89 WeakPolarHBondContact O-CB 3.29Å; E85-N89 VanDerWaalsContact O-CG 3.25Å; E85-N89 PolarHBondContact O-N 3.5Å; E85-N89 PolarHBondContact O-ND2 3.47Å; E85-N89 VanDerWaalsContact O-ND2 3.1Å
86N95.5Very high91.8Very high135 Ų13572.2 Ų72.272%0.72237%0.367SS*.Hα-helixtrans-63.6-43.9177.2-68-26.4000112.3L84 N89 V90L84-N86 VanDerWaalsContact C-N 3.31Å; L84-N86 PolarHBondContact O-N 3.01Å; N86-N89 PolarHBondContact O-N 3.5Å; N86-V90 WeakPolarHBondContact O-CG2 3.23Å; N86-V90 PolarHBondContact O-N 2.9Å; N86-V90 VanDerWaalsContact O-N 3.15Å
87T95.4Very high91.4Very high73 Ų7371.3 Ų71.345%0.44836%0.361SS..Hα-helixtrans-67.9-39.7178.1-49.10000111M79 L84 V90 L91M79-T87 HydrophobicContact CE-CG2 3.98Å; M79-T87 HydrophobicContact SD-CG2 4.22Å; L84-T87 PolarHBondContact O-N 3.18Å; T87-V90 PolarHBondContact O-N 3.43Å; T87-L91 VanDerWaalsContact O-CB 3.24Å; T87-L91 WeakPolarHBondContact O-CB 3.35Å; T87-L91 PolarHBondContact O-N 3.23Å
88L94.8Very high91Very high14 Ų1476.8 Ų76.87%0.07338%0.384CS..Hα-helixtrans-62.6-45.5176.1179.458.9000111.1V76 M79 N80 L84 E85 V90 L91 M92V76-L88 HydrophobicContact CB-CD1 4.46Å; V76-L88 HydrophobicContact CG1-CD1 4.35Å; V76-L88 HydrophobicContact CG2-CD1 4.04Å; M79-L88 HydrophobicContact CB-CB 4.14Å; M79-L88 HydrophobicContact CB-CD1 4.18Å; M79-L88 HydrophobicContact SD-CB 4.17Å; M79-L88 HydrophobicContact SD-CD1 4.22Å; N80-L88 WeakPolarHBondContact OD1-CD2 3.33Å; L84-L88 WeakPolarHBondContact O-CB 3.43Å; L84-L88 PolarHBondContact O-N 3.07Å; E85-L88 PolarHBondContact O-N 3.45Å; L88-V90 PolarHBondContact O-N 2.9Å; L88-L91 PolarHBondContact O-N 3.36Å; L88-M92 HydrophobicContact CD1-CE 3.84Å; L88-M92 HydrophobicContact CD1-CG 4.15Å; L88-M92 HydrophobicContact CD1-SD 4.5Å; L88-M92 HydrophobicContact CG-CG 4.36Å; L88-M92 WeakPolarHBondContact O-CB 3.43Å; L88-M92 VanDerWaalsContact O-CG 3.23Å; L88-M92 WeakPolarHBondContact O-CG 3.23Å; L88-M92 PolarHBondContact O-N 3.41Å
89N93Very high90.5Very high100 Ų10082 Ų8254%0.53541%0.409SS..Hα-helixtrans-61.8-42.7177.6-74.6-35.4000112.4E85 N86 M92 D93E85-N89 WeakPolarHBondContact O-CB 3.29Å; E85-N89 VanDerWaalsContact O-CG 3.25Å; E85-N89 PolarHBondContact O-N 3.5Å; E85-N89 PolarHBondContact O-ND2 3.47Å; E85-N89 VanDerWaalsContact O-ND2 3.1Å; N86-N89 PolarHBondContact O-N 3.5Å; N89-M92 PolarHBondContact O-N 3.25Å; N89-D93 PolarHBondContact O-N 2.87Å
90V92.8Very high90.1Very high91 Ų9183 Ų8355%0.55242%0.415SS*.Hα-helixtrans-63.9-45.6174.1174.10000110.8N86 T87 L88 M92 D93 E94N86-V90 WeakPolarHBondContact O-CG2 3.23Å; N86-V90 PolarHBondContact O-N 2.9Å; N86-V90 VanDerWaalsContact O-N 3.15Å; T87-V90 PolarHBondContact O-N 3.43Å; L88-V90 PolarHBondContact O-N 2.9Å; V90-M92 PolarHBondContact O-N 2.79Å; V90-D93 PolarHBondContact O-N 3.4Å; V90-E94 WeakPolarHBondContact O-CB 3.08Å; V90-E94 PolarHBondContact O-N 2.9Å
91L92.2Very high89.9Confident34 Ų3487.3 Ų87.318%0.17843%0.432CS..Hα-helixtrans-61-42.4177.9176.769.8000112.2L75 M79 T87 L88 D93 E94 A95 M97L75-L91 HydrophobicContact CD2-CD1 4.43Å; L75-L91 HydrophobicContact CD2-CD2 3.61Å; L75-L91 HydrophobicContact CG-CD2 3.82Å; M79-L91 HydrophobicContact CE-CD2 3.63Å; M79-L91 HydrophobicContact SD-CB 4.47Å; M79-L91 HydrophobicContact SD-CD2 3.56Å; M79-L91 VanDerWaalsContact SD-CD2 3.56Å; T87-L91 VanDerWaalsContact O-CB 3.24Å; T87-L91 WeakPolarHBondContact O-CB 3.35Å; T87-L91 PolarHBondContact O-N 3.23Å; L88-L91 PolarHBondContact O-N 3.36Å; L91-D93 PolarHBondContact O-N 3.27Å; L91-E94 PolarHBondContact O-N 3.47Å; L91-A95 HydrophobicContact CD1-CB 3.94Å; L91-A95 HydrophobicContact CG-CB 4.46Å; L91-A95 WeakPolarHBondContact O-CA 3.43Å; L91-A95 WeakPolarHBondContact O-CB 3.31Å; L91-A95 PolarHBondContact O-N 2.76Å; L91-M97 HydrophobicContact CD1-CE 3.96Å; L91-M97 HydrophobicContact CD2-CE 3.73Å; L91-M97 HydrophobicContact CG-CE 3.54Å
92M90.8Very high89.8Confident24 Ų2487 Ų8712%0.11843%0.431CS..Hα-helixtrans-58.6-31.8177.6-74-65.697.900112.4V76 L88 N89 V90 Q96 M97 K98 L102V76-M92 HydrophobicContact CG2-CE 3.43Å; V76-M92 VanDerWaalsContact CG2-CE 3.43Å; V76-M92 HydrophobicContact CG2-SD 4.41Å; L88-M92 HydrophobicContact CD1-CE 3.84Å; L88-M92 HydrophobicContact CD1-CG 4.15Å; L88-M92 HydrophobicContact CD1-SD 4.5Å; L88-M92 HydrophobicContact CG-CG 4.36Å; L88-M92 WeakPolarHBondContact O-CB 3.43Å; L88-M92 VanDerWaalsContact O-CG 3.23Å; L88-M92 WeakPolarHBondContact O-CG 3.23Å; L88-M92 PolarHBondContact O-N 3.41Å; N89-M92 PolarHBondContact O-N 3.25Å; V90-M92 PolarHBondContact O-N 2.79Å; M92-Q96 CarbonylContact O-C 3.59Å; M92-Q96 WeakPolarHBondContact O-CA 3.29Å; M92-Q96 PolarHBondContact O-N 2.83Å; M92-M97 HydrophobicContact CE-CB 3.52Å; M92-M97 HydrophobicContact CE-CE 3.42Å; M92-M97 VanDerWaalsContact CE-CE 3.42Å; M92-M97 HydrophobicContact CE-CG 4.08Å; M92-M97 HydrophobicContact CE-SD 3.65Å; M92-M97 PolarHBondContact O-N 2.88Å; M92-M97 HydrophobicContact SD-CB 3.69Å; M92-K98 HydrophobicContact CB-CG 4.24Å; M92-K98 PolarHBondContact O-N 3.16Å; M92-L102 HydrophobicContact SD-CD1 4.32Å
93D87.8Confident89.6Confident85 Ų8583.9 Ų83.946%0.45542%0.416SS..Hα-helixtrans-85.7-48.7-178.9-72.825.1000111.1N89 V90 L91 Q96 K98N89-D93 PolarHBondContact O-N 2.87Å; V90-D93 PolarHBondContact O-N 3.4Å; L91-D93 PolarHBondContact O-N 3.27Å; D93-Q96 PolarHBondContact O-N 3.3Å; D93-K98 WeakPolarHBondContact OD1-CD 3.43Å; D93-K98 WeakPolarHBondContact OD1-CE 3.47Å; D93-K98 IonicContact OD1-NZ 3.21Å; D93-K98 PolarHBondContact OD1-NZ 2.78Å; D93-K98 IonicContact OD2-NZ 2.78Å; D93-K98 PolarHBondContact OD2-NZ 2.88Å
94E87Confident89.3Confident147 Ų14780.2 Ų80.269%0.68741%0.405SS*.Hα-helixtrans-67-43.4-179-171.8176.1177.900112.2V90 L91 Q96V90-E94 WeakPolarHBondContact O-CB 3.08Å; V90-E94 PolarHBondContact O-N 2.9Å; L91-E94 PolarHBondContact O-N 3.47Å; E94-Q96 VanDerWaalsContact C-N 3.29Å
95A87.3Confident88.8Confident5 Ų579.7 Ų79.74%0.04140%0.398CS..THydrogen-bonded Turntrans-85.41.3175.100000113.5I59 W63 L91 M97I59-A95 HydrophobicContact CD1-CB 3.63Å; W63-A95 HydrophobicContact CZ2-CB 4.24Å; W63-A95 PolarHBondContact NE1-O 3.4Å; L91-A95 HydrophobicContact CD1-CB 3.94Å; L91-A95 HydrophobicContact CG-CB 4.46Å; L91-A95 WeakPolarHBondContact O-CA 3.43Å; L91-A95 WeakPolarHBondContact O-CB 3.31Å; L91-A95 PolarHBondContact O-N 2.76Å; A95-M97 HydrophobicContact CB-CE 3.51Å; A95-M97 HydrophobicContact CB-CG 3.95Å; A95-M97 HydrophobicContact CB-SD 4.46Å; A95-M97 PolarHBondContact O-N 3.33Å
96Q85Confident88.3Confident53 Ų5379 Ų7925%0.24840%0.399CS..THydrogen-bonded Turntrans6030.8173.4-41.9-168.4-71.100114L54 M92 D93 E94L54-Q96 PolarHBondContact O-NE2 3.42Å; M92-Q96 CarbonylContact O-C 3.59Å; M92-Q96 WeakPolarHBondContact O-CA 3.29Å; M92-Q96 PolarHBondContact O-N 2.83Å; D93-Q96 PolarHBondContact O-N 3.3Å; E94-Q96 VanDerWaalsContact C-N 3.29Å
97M86.1Confident87.9Confident1 Ų178 Ų781%0.00539%0.387CS..G310 helixtrans-83.8-10.1-173.8-65.7-164-99.300114.4W63 A72 L91 M92 A95 H99 L100W63-M97 HydrophobicContact CH2-CE 4.41Å; W63-M97 HydrophobicContact CH2-SD 3.91Å; W63-M97 HydrophobicContact CZ2-CE 3.87Å; W63-M97 HydrophobicContact CZ2-CG 3.78Å; W63-M97 HydrophobicContact CZ2-SD 3.41Å; W63-M97 WeakPolarHBondContact CZ2-SD 3.35Å; A72-M97 HydrophobicContact CB-SD 3.76Å; L91-M97 HydrophobicContact CD1-CE 3.96Å; L91-M97 HydrophobicContact CD2-CE 3.73Å; L91-M97 HydrophobicContact CG-CE 3.54Å; M92-M97 HydrophobicContact CE-CB 3.52Å; M92-M97 HydrophobicContact CE-CE 3.42Å; M92-M97 VanDerWaalsContact CE-CE 3.42Å; M92-M97 HydrophobicContact CE-CG 4.08Å; M92-M97 HydrophobicContact CE-SD 3.65Å; M92-M97 PolarHBondContact O-N 2.88Å; M92-M97 HydrophobicContact SD-CB 3.69Å; A95-M97 HydrophobicContact CB-CE 3.51Å; A95-M97 HydrophobicContact CB-CG 3.95Å; A95-M97 HydrophobicContact CB-SD 4.46Å; A95-M97 PolarHBondContact O-N 3.33Å; M97-H99 PolarHBondContact O-N 2.98Å; M97-L100 HydrophobicContact CB-CD1 3.87Å; M97-L100 HydrophobicContact CG-CD1 3.66Å; M97-L100 PolarHBondContact O-N 2.9Å; M97-L100 HydrophobicContact SD-CD1 4.42Å
98K83.5Confident87.4Confident132 Ų13274.5 Ų74.557%0.57437%0.366SS*.G310 helixtrans-50-17.4177.8-87.5179.8157.3157.20116.7M92 D93M92-K98 HydrophobicContact CB-CG 4.24Å; M92-K98 PolarHBondContact O-N 3.16Å; D93-K98 WeakPolarHBondContact OD1-CD 3.43Å; D93-K98 WeakPolarHBondContact OD1-CE 3.47Å; D93-K98 IonicContact OD1-NZ 3.21Å; D93-K98 PolarHBondContact OD1-NZ 2.78Å; D93-K98 IonicContact OD2-NZ 2.78Å; D93-K98 PolarHBondContact OD2-NZ 2.88Å
99H82.1Confident86.9Confident182 Ų18276 Ų7684%0.84337%0.373SS*.G310 helixtrans-12010.7-178-58.4-46.1000113.4M97M97-H99 PolarHBondContact O-N 2.98Å
100L86.3Confident86.4Confident45 Ų4575.3 Ų75.324%0.23638%0.381CS..SBendtrans-87.9141.7176.5-60.7175.5000110.7W63 L69 M97 L102W63-L100 HydrophobicContact CB-CD1 3.84Å; W63-L100 HydrophobicContact CB-CD2 3.83Å; W63-L100 HydrophobicContact CD2-CD1 3.95Å; W63-L100 HydrophobicContact CG-CD1 3.54Å; W63-L100 HydrophobicContact CG-CD2 4.37Å; L69-L100 HydrophobicContact CD2-CB 4.3Å; L69-L100 HydrophobicContact CD2-CD1 4.45Å; L69-L100 HydrophobicContact CD2-CD2 4.2Å; M97-L100 HydrophobicContact CB-CD1 3.87Å; M97-L100 HydrophobicContact CG-CD1 3.66Å; M97-L100 PolarHBondContact O-N 2.9Å; M97-L100 HydrophobicContact SD-CD1 4.42Å; L100-L102 HydrophobicContact CB-CD2 4.33Å; L100-L102 HydrophobicContact CB-CG 4.38Å; L100-L102 PolarHBondContact O-N 2.72Å
101E87Confident85.9Confident179 Ų17974.7 Ų74.784%0.83637%0.374SS*.  trans-78.179.4168.5-66-175.7-173.300109.1
102L87.4Confident85.5Confident52 Ų5274.3 Ų74.327%0.27237%0.372SS..PPolyproline II helixtrans-64.2142.5177.1-63.3168.6000110.7A72 V76 M92 L100A72-L102 HydrophobicContact CB-CD2 3.66Å; V76-L102 HydrophobicContact CG1-CD1 4.32Å; V76-L102 HydrophobicContact CG2-CD1 3.91Å; V76-L102 HydrophobicContact CG2-CD2 4.4Å; M92-L102 HydrophobicContact SD-CD1 4.32Å; L100-L102 HydrophobicContact CB-CD2 4.33Å; L100-L102 HydrophobicContact CB-CG 4.38Å; L100-L102 PolarHBondContact O-N 2.72Å
103L87.7Confident84.6Confident38 Ų3877.8 Ų77.820%0.19940%0.397CS..PPolyproline II helixtrans-81.8129.4-179.3-7181.7000110.5L69 S73 K107 L108 I111L69-L103 HydrophobicContact CB-CD1 3.99Å; S73-L103 PolarHBondContact OG-N 3.44Å; L103-K107 HydrophobicContact CB-CB 4.26Å; L103-K107 HydrophobicContact CD2-CB 4.36Å; L103-L108 HydrophobicContact CB-CD2 4.22Å; L103-L108 HydrophobicContact CB-CG 4.08Å; L103-I111 HydrophobicContact CD2-CD1 3.33Å
104D85.2Confident83.8Confident93 Ų9375 Ų7550%0.49738%0.383SS..PPolyproline II helixtrans-58.7153.3170.9-55.3-68.4000111.6D106 K107 L108D104-D106 PolarHBondContact O-N 3.17Å; D104-D106 VanDerWaalsContact O-N 3.12Å; D104-K107 HydrophobicContact CB-CD 4.28Å; D104-K107 HydrophobicContact CB-CG 4.43Å; D104-K107 WeakPolarHBondContact O-CA 3.5Å; D104-K107 WeakPolarHBondContact O-CB 3.42Å; D104-K107 PolarHBondContact O-N 3.5Å; D104-K107 WeakPolarHBondContact OD2-CE 3.47Å; D104-K107 IonicContact OD2-NZ 2.92Å; D104-K107 PolarHBondContact OD2-NZ 3.45Å; D104-L108 PolarHBondContact O-N 2.77Å
105R84.2Confident82.8Confident59 Ų5973.5 Ų73.522%0.22338%0.376CS..Hα-helixtrans-52-38.2-179.7-168.9173.8-175.9-95.7-1.4113.4D77 L108 M109 S118 S121 V123D77-R105 VanDerWaalsContact OD1-CD 3.29Å; D77-R105 WeakPolarHBondContact OD1-CD 3.45Å; D77-R105 WeakPolarHBondContact OD1-CG 3.33Å; D77-R105 IonicContact OD1-NE 2.8Å; D77-R105 PolarHBondContact OD1-NE 3.49Å; R105-L108 PolarHBondContact O-N 3.15Å; R105-M109 HydrophobicContact CG-CE 4.31Å; R105-M109 WeakPolarHBondContact O-CG 3.45Å; R105-M109 PolarHBondContact O-N 3.44Å; R105-S118 PolarHBondContact NH2-O 2.82Å; R105-S121 PolarHBondContact NH2-O 2.93Å; R105-V123 HydrophobicContact CG-CG2 3.79Å
106D83.2Confident81.6Confident118 Ų11879.3 Ų79.363%0.63140%0.397SS*.Hα-helixtrans-71.2-34.8178.7-59.5-36.7000112.5D104 M109 A110D104-D106 PolarHBondContact O-N 3.17Å; D104-D106 VanDerWaalsContact O-N 3.12Å; D106-M109 PolarHBondContact O-N 3.47Å; D106-M109 VanDerWaalsContact OD1-CE 3.24Å; D106-M109 WeakPolarHBondContact OD1-CE 3.21Å; D106-A110 WeakPolarHBondContact O-CB 3.42Å; D106-A110 PolarHBondContact O-N 3.48Å
107K86.2Confident80.5Confident112 Ų11283.5 Ų83.549%0.48742%0.421SS..Hα-helixtrans-68.1-41.1172.8-64.9170.7-179.4155.40110.7L103 D104 A110 I111L103-K107 HydrophobicContact CB-CB 4.26Å; L103-K107 HydrophobicContact CD2-CB 4.36Å; D104-K107 HydrophobicContact CB-CD 4.28Å; D104-K107 HydrophobicContact CB-CG 4.43Å; D104-K107 WeakPolarHBondContact O-CA 3.5Å; D104-K107 WeakPolarHBondContact O-CB 3.42Å; D104-K107 PolarHBondContact O-N 3.5Å; D104-K107 WeakPolarHBondContact OD2-CE 3.47Å; D104-K107 IonicContact OD2-NZ 2.92Å; D104-K107 PolarHBondContact OD2-NZ 3.45Å; K107-A110 PolarHBondContact O-N 3.1Å; K107-I111 WeakPolarHBondContact O-CG1 3.41Å; K107-I111 PolarHBondContact O-N 2.87Å
108L86.2Confident79.5Confident1 Ų185.8 Ų85.81%0.00544%0.437CS..Hα-helixtrans-60.3-44.3174.2-75.7173.2000112.3I70 L74 D77 L103 D104 R105 A110 I111 L112 V123I70-L108 HydrophobicContact CG2-CD2 4.1Å; L74-L108 HydrophobicContact CD2-CD1 4.47Å; L74-L108 HydrophobicContact CG-CD2 4.34Å; D77-L108 HydrophobicContact CB-CD1 4.45Å; L103-L108 HydrophobicContact CB-CD2 4.22Å; L103-L108 HydrophobicContact CB-CG 4.08Å; D104-L108 PolarHBondContact O-N 2.77Å; R105-L108 PolarHBondContact O-N 3.15Å; L108-A110 VanDerWaalsContact C-N 3.27Å; L108-A110 PolarHBondContact O-N 2.66Å; L108-I111 PolarHBondContact O-N 3.24Å; L108-L112 HydrophobicContact CD2-CD1 4.46Å; L108-L112 VanDerWaalsContact O-CB 3.31Å; L108-L112 WeakPolarHBondContact O-CB 3.48Å; L108-L112 PolarHBondContact O-N 2.81Å; L108-V123 HydrophobicContact CB-CG1 4.34Å
109M82.9Confident78.9Confident45 Ų4583.1 Ų83.122%0.22244%0.435CS..Hα-helixtrans-70.1-19.9175.9-69.1-175.5-5800113.7R105 D106 V123R105-M109 HydrophobicContact CG-CE 4.31Å; R105-M109 WeakPolarHBondContact O-CG 3.45Å; R105-M109 PolarHBondContact O-N 3.44Å; D106-M109 PolarHBondContact O-N 3.47Å; D106-M109 VanDerWaalsContact OD1-CE 3.24Å; D106-M109 WeakPolarHBondContact OD1-CE 3.21Å; M109-V123 HydrophobicContact CG-CG1 4.5Å; M109-V123 HydrophobicContact CG-CG2 4.1Å
110A83.3Confident78.6Confident85 Ų8581 Ų8170%0.70243%0.43SS*.Hα-helixtrans-81.5-34173.900000112.7D106 K107 L108D106-A110 WeakPolarHBondContact O-CB 3.42Å; D106-A110 PolarHBondContact O-N 3.48Å; K107-A110 PolarHBondContact O-N 3.1Å; L108-A110 VanDerWaalsContact C-N 3.27Å; L108-A110 PolarHBondContact O-N 2.66Å
111I83.3Confident78.5Confident79 Ų7979.4 Ų79.441%0.40542%0.422SS..Hα-helixtrans-82.7-41.2179.3-65.4164.2000111.2I70 L103 K107 L108I70-I111 HydrophobicContact CD1-CG2 3.88Å; L103-I111 HydrophobicContact CD2-CD1 3.33Å; K107-I111 WeakPolarHBondContact O-CG1 3.41Å; K107-I111 PolarHBondContact O-N 2.87Å; L108-I111 PolarHBondContact O-N 3.24Å
112L82.2Confident78.5Confident25 Ų2571.4 Ų71.413%0.13139%0.386CS..SBendtrans-93.3125.2-177.4-63.4169.4000110.3I70 L74 L108 T114 V123 L127I70-L112 HydrophobicContact CG2-CD1 4.19Å; I70-L112 HydrophobicContact CG2-CD2 4.32Å; I70-L112 HydrophobicContact CG2-CG 4.47Å; L74-L112 HydrophobicContact CD1-CD1 4Å; L74-L112 HydrophobicContact CD2-CD1 3.76Å; L74-L112 HydrophobicContact CG-CD1 4.17Å; L108-L112 HydrophobicContact CD2-CD1 4.46Å; L108-L112 VanDerWaalsContact O-CB 3.31Å; L108-L112 WeakPolarHBondContact O-CB 3.48Å; L108-L112 PolarHBondContact O-N 2.81Å; L112-T114 HydrophobicContact CB-CG2 4.36Å; L112-T114 PolarHBondContact O-N 3.45Å; L112-V123 HydrophobicContact CD1-CG1 4.14Å; L112-L127 HydrophobicContact CD1-CD2 4.35Å; L112-L127 HydrophobicContact CD2-CD1 4.32Å; L112-L127 HydrophobicContact CD2-CD2 4.42Å
113P72.4Confident78.5Confident98 Ų9869 Ų6964%0.63637%0.373SS*.  trans-67.9100.2174.128.1-33.3000109.3T130P113-T130 WeakPolarHBondContact O-CG2 3.38Å
114T70.7Confident78.6Confident26 Ų2670 Ų7016%0.1638%0.378CS..  trans-121.3116.1175.2560000110.8L112 R116 V123 N126 L127L112-T114 HydrophobicContact CB-CG2 4.36Å; L112-T114 PolarHBondContact O-N 3.45Å; T114-R116 PolarHBondContact O-N 2.97Å; T114-V123 HydrophobicContact CG2-CG1 4.45Å; T114-N126 HydrophobicContact CG2-CB 3.95Å; T114-L127 HydrophobicContact CG2-CB 4.38Å
115E65.7Low78.7Confident116 Ų11669.5 Ų69.554%0.54238%0.376SS..SBendtrans-70.3-16.7-175.4-65-179168.200114.1T130 H133E115-T130 HydrophobicContact CG-CG2 4.05Å; E115-T130 PolarHBondContact N-OG1 3.21Å; E115-H133 IonicContact OE2-CD2 3.48Å; E115-H133 PolarHBondContact OE2-CD2 3.26Å
116R62.1Low78.8Confident127 Ų12766.7 Ų66.748%0.47937%0.365SS..  trans-120.5109.6-176.7-78.8-172.4-96.8147-5.3112T114 S118 N126 E129T114-R116 PolarHBondContact O-N 2.97Å; R116-S118 PolarHBondContact O-N 3.31Å; R116-N126 PolarHBondContact O-ND2 2.94Å; R116-E129 VanDerWaalsContact CZ-CD 3.41Å; R116-E129 IonicContact CZ-OE1 3.82Å; R116-E129 IonicContact CZ-OE2 2.77Å; R116-E129 IonicContact NE-OE2 2.66Å; R116-E129 IonicContact NH1-OE1 3.96Å; R116-E129 PolarHBondContact NH1-OE1 3.15Å; R116-E129 IonicContact NH1-OE2 2.72Å; R116-E129 PolarHBondContact NH1-OE2 3.34Å; R116-E129 IonicContact NH2-OE1 3.49Å; R116-E129 PolarHBondContact NH2-OE1 3.42Å; R116-E129 IonicContact NH2-OE2 2.48Å; R116-E129 PolarHBondContact NH2-OE2 3.19Å
117N63Low79Confident140 Ų14062.6 Ų62.675%0.74934%0.343SS*.  trans-77.837.9170.160.40.3000112.9S119N117-S119 PolarHBondContact O-N 3.21Å
118S64.6Low79.1Confident49 Ų4961.3 Ų61.334%0.34334%0.34SS..  trans-61111.9177.8175.80000109.8R105 R116 N120 S121R105-S118 PolarHBondContact NH2-O 2.82Å; R116-S118 PolarHBondContact O-N 3.31Å; S118-N120 PolarHBondContact O-N 2.81Å; S118-S121 PolarHBondContact O-N 3.44Å
119S70.3Confident79.1Confident77 Ų7763.9 Ų63.954%0.53835%0.352SS..THydrogen-bonded Turntrans-61.6-22.1179.257.70000113.4M81 N117M81-S119 WeakPolarHBondContact CE-O 3.38Å; N117-S119 PolarHBondContact O-N 3.21Å
120N77.3Confident79.2Confident136 Ų13662.2 Ų62.273%0.72735%0.345SS*.THydrogen-bonded Turntrans-105.914.7-171.3-57.3-0.7000112.3S118S118-N120 PolarHBondContact O-N 2.81Å
121S83.2Confident79.3Confident12 Ų1263.1 Ų63.18%0.08434%0.337CS..SBendtrans-125.3136.9-179.3-176.80000109.7R105 S118 N126R105-S121 PolarHBondContact NH2-O 2.93Å; S118-S121 PolarHBondContact O-N 3.44Å; S121-N126 VanDerWaalsContact CB-OD1 3.28Å; S121-N126 WeakPolarHBondContact CB-OD1 3.26Å; S121-N126 PolarHBondContact OG-OD1 3.37Å
122P87.7Confident79.5Confident12 Ų1265.5 Ų65.58%0.07835%0.345CS..  trans-67.4144.5173.729.9-33.4000109.9D77 F78 M81 L124 L125 N126D77-P122 VanDerWaalsContact OD2-CA 3.31Å; D77-P122 WeakPolarHBondContact OD2-CA 3.5Å; F78-P122 HydrophobicContact CB-CB 4.29Å; F78-P122 HydrophobicContact CD2-CB 3.89Å; F78-P122 HydrophobicContact CD2-CG 3.76Å; F78-P122 HydrophobicContact CE2-CG 4.26Å; M81-P122 HydrophobicContact CB-CB 4.09Å; M81-P122 HydrophobicContact CG-CB 4.22Å; P122-L124 PolarHBondContact O-N 2.81Å; P122-L124 VanDerWaalsContact O-N 3.15Å; P122-L125 HydrophobicContact CG-CB 3.99Å; P122-L125 WeakPolarHBondContact O-CB 3.37Å; P122-L125 PolarHBondContact O-N 3.14Å; P122-N126 PolarHBondContact O-N 3.26Å
123V87.6Confident79.6Confident0 Ų068.5 Ų68.50%036%0.358CS..Hα-helixtrans-57.7-35-176.2-179.70000111.1L74 D77 R105 L108 M109 L112 T114 L125 N126 L127L74-V123 HydrophobicContact CD2-CB 3.86Å; L74-V123 HydrophobicContact CD2-CG1 3.72Å; D77-V123 PolarHBondContact OD2-N 3.43Å; R105-V123 HydrophobicContact CG-CG2 3.79Å; L108-V123 HydrophobicContact CB-CG1 4.34Å; M109-V123 HydrophobicContact CG-CG1 4.5Å; M109-V123 HydrophobicContact CG-CG2 4.1Å; L112-V123 HydrophobicContact CD1-CG1 4.14Å; T114-V123 HydrophobicContact CG2-CG1 4.45Å; V123-L125 VanDerWaalsContact C-N 3.28Å; V123-L125 PolarHBondContact O-N 3.15Å; V123-N126 PolarHBondContact O-N 2.84Å; V123-N126 VanDerWaalsContact O-N 3.16Å; V123-L127 PolarHBondContact O-N 3.46Å
124L89.6Confident80.2Confident59 Ų5968 Ų6831%0.30935%0.349SS..Hα-helixtrans-56.8-36.9175.2-17563.7000113.3L74 F78 P122 I128L74-L124 HydrophobicContact CD1-CD1 4.46Å; L74-L124 HydrophobicContact CD2-CB 4.44Å; F78-L124 HydrophobicContact CD2-CD2 4.46Å; P122-L124 PolarHBondContact O-N 2.81Å; P122-L124 VanDerWaalsContact O-N 3.15Å; L124-I128 HydrophobicContact CG-CD1 4.35Å; L124-I128 WeakPolarHBondContact O-CD1 3.38Å; L124-I128 VanDerWaalsContact O-CG1 3.31Å; L124-I128 WeakPolarHBondContact O-CG1 3.32Å; L124-I128 PolarHBondContact O-N 2.94Å; L124-I128 VanDerWaalsContact O-N 3.16Å
125L87.2Confident80.9Confident83 Ų8375.1 Ų75.144%0.43537%0.373SS..Hα-helixtrans-71.2-44.4176.7179.257.4000110.8P122 V123 L127 I128 E129P122-L125 HydrophobicContact CG-CB 3.99Å; P122-L125 WeakPolarHBondContact O-CB 3.37Å; P122-L125 PolarHBondContact O-N 3.14Å; V123-L125 VanDerWaalsContact C-N 3.28Å; V123-L125 PolarHBondContact O-N 3.15Å; L125-L127 VanDerWaalsContact C-N 3.26Å; L125-L127 PolarHBondContact O-N 2.64Å; L125-I128 PolarHBondContact O-N 3.36Å; L125-I128 VanDerWaalsContact O-N 3.16Å; L125-E129 HydrophobicContact CD1-CG 4.36Å; L125-E129 WeakPolarHBondContact O-CG 3.39Å; L125-E129 PolarHBondContact O-N 2.93Å
126N85.6Confident81.7Confident1 Ų173.8 Ų73.81%0.00537%0.37CS..Hα-helixtrans-61.7-36.3178.5-54.5-14.4000111.3T114 R116 S121 P122 V123 T130T114-N126 HydrophobicContact CG2-CB 3.95Å; R116-N126 PolarHBondContact O-ND2 2.94Å; S121-N126 VanDerWaalsContact CB-OD1 3.28Å; S121-N126 WeakPolarHBondContact CB-OD1 3.26Å; S121-N126 PolarHBondContact OG-OD1 3.37Å; P122-N126 PolarHBondContact O-N 3.26Å; V123-N126 PolarHBondContact O-N 2.84Å; V123-N126 VanDerWaalsContact O-N 3.16Å; N126-T130 WeakPolarHBondContact O-CB 3.27Å; N126-T130 PolarHBondContact O-N 2.62Å; N126-T130 PolarHBondContact O-OG1 3.28Å
127L88.1Confident82.3Confident31 Ų3172.5 Ų72.516%0.16237%0.369CS..Hα-helixtrans-63.3-48.9173.1179.763.3000111.6L74 L112 T114 V123 L125 E129 T130 L131L74-L127 HydrophobicContact CD1-CD2 4.29Å; L112-L127 HydrophobicContact CD1-CD2 4.35Å; L112-L127 HydrophobicContact CD2-CD1 4.32Å; L112-L127 HydrophobicContact CD2-CD2 4.42Å; T114-L127 HydrophobicContact CG2-CB 4.38Å; V123-L127 PolarHBondContact O-N 3.46Å; L125-L127 VanDerWaalsContact C-N 3.26Å; L125-L127 PolarHBondContact O-N 2.64Å; L127-E129 VanDerWaalsContact C-N 3.31Å; L127-E129 PolarHBondContact O-N 3.4Å; L127-T130 PolarHBondContact O-N 2.94Å; L127-L131 HydrophobicContact CD1-CD1 4.27Å; L127-L131 HydrophobicContact CD1-CG 4.32Å; L127-L131 HydrophobicContact CG-CD1 4.09Å; L127-L131 WeakPolarHBondContact O-CB 3.26Å; L127-L131 VanDerWaalsContact O-CG 3.32Å; L127-L131 WeakPolarHBondContact O-CG 3.19Å; L127-L131 PolarHBondContact O-N 2.91Å
128I88Confident82.7Confident85 Ų8573.7 Ų73.744%0.43637%0.368SS..Hα-helixtrans-61.4-40177.5-68.7164.7000111.3L124 L125 K132L124-I128 HydrophobicContact CG-CD1 4.35Å; L124-I128 WeakPolarHBondContact O-CD1 3.38Å; L124-I128 VanDerWaalsContact O-CG1 3.31Å; L124-I128 WeakPolarHBondContact O-CG1 3.32Å; L124-I128 PolarHBondContact O-N 2.94Å; L124-I128 VanDerWaalsContact O-N 3.16Å; L125-I128 PolarHBondContact O-N 3.36Å; L125-I128 VanDerWaalsContact O-N 3.16Å; I128-K132 HydrophobicContact CG2-CD 4.05Å; I128-K132 WeakPolarHBondContact O-CB 3.38Å; I128-K132 VanDerWaalsContact O-CG 3.26Å; I128-K132 WeakPolarHBondContact O-CG 3.39Å; I128-K132 PolarHBondContact O-N 3.39Å
129E86.3Confident82.7Confident55 Ų5576.2 Ų76.226%0.25738%0.377SS..Hα-helixtrans-64.1-43.3175.8-70.5-172.2114.100112.2R116 L125 L127 K132 H133R116-E129 VanDerWaalsContact CZ-CD 3.41Å; R116-E129 IonicContact CZ-OE1 3.82Å; R116-E129 IonicContact CZ-OE2 2.77Å; R116-E129 IonicContact NE-OE2 2.66Å; R116-E129 IonicContact NH1-OE1 3.96Å; R116-E129 PolarHBondContact NH1-OE1 3.15Å; R116-E129 IonicContact NH1-OE2 2.72Å; R116-E129 PolarHBondContact NH1-OE2 3.34Å; R116-E129 IonicContact NH2-OE1 3.49Å; R116-E129 PolarHBondContact NH2-OE1 3.42Å; R116-E129 IonicContact NH2-OE2 2.48Å; R116-E129 PolarHBondContact NH2-OE2 3.19Å; L125-E129 HydrophobicContact CD1-CG 4.36Å; L125-E129 WeakPolarHBondContact O-CG 3.39Å; L125-E129 PolarHBondContact O-N 2.93Å; L127-E129 VanDerWaalsContact C-N 3.31Å; L127-E129 PolarHBondContact O-N 3.4Å; E129-K132 PolarHBondContact O-N 3.31Å; E129-H133 PolarHBondContact O-N 2.97Å
130T85Confident82.2Confident11 Ų1178.6 Ų78.67%0.06738%0.383CS..Hα-helixtrans-66.2-45178.4-510000110.9P113 E115 N126 L127 K132 H133 L134P113-T130 WeakPolarHBondContact O-CG2 3.38Å; E115-T130 HydrophobicContact CG-CG2 4.05Å; E115-T130 PolarHBondContact N-OG1 3.21Å; N126-T130 WeakPolarHBondContact O-CB 3.27Å; N126-T130 PolarHBondContact O-N 2.62Å; N126-T130 PolarHBondContact O-OG1 3.28Å; L127-T130 PolarHBondContact O-N 2.94Å; T130-K132 VanDerWaalsContact C-N 3.29Å; T130-K132 PolarHBondContact O-N 3.49Å; T130-H133 WeakPolarHBondContact O-CB 3.38Å; T130-H133 PolarHBondContact O-N 3.08Å; T130-L134 HydrophobicContact CG2-CD1 3.97Å; T130-L134 WeakPolarHBondContact O-CD1 3.48Å; T130-L134 PolarHBondContact O-N 2.93Å
131L86.5Confident81.4Confident103 Ų10379.9 Ų79.954%0.53939%0.385SS..Hα-helixtrans-59.4-37.3173.9-70.8172.9000112.6L127 R135L127-L131 HydrophobicContact CD1-CD1 4.27Å; L127-L131 HydrophobicContact CD1-CG 4.32Å; L127-L131 HydrophobicContact CG-CD1 4.09Å; L127-L131 WeakPolarHBondContact O-CB 3.26Å; L127-L131 VanDerWaalsContact O-CG 3.32Å; L127-L131 WeakPolarHBondContact O-CG 3.19Å; L127-L131 PolarHBondContact O-N 2.91Å; L131-R135 WeakPolarHBondContact O-CB 3.48Å; L131-R135 PolarHBondContact O-N 3.22Å
132K87.6Confident80.1Confident130 Ų13084.3 Ų84.357%0.56541%0.412SS*.Hα-helixtrans-67.4-37.5172.9-75170.766.8-176.50112.1I128 E129 T130 R135 N136I128-K132 HydrophobicContact CG2-CD 4.05Å; I128-K132 WeakPolarHBondContact O-CB 3.38Å; I128-K132 VanDerWaalsContact O-CG 3.26Å; I128-K132 WeakPolarHBondContact O-CG 3.39Å; I128-K132 PolarHBondContact O-N 3.39Å; E129-K132 PolarHBondContact O-N 3.31Å; T130-K132 VanDerWaalsContact C-N 3.29Å; T130-K132 PolarHBondContact O-N 3.49Å; K132-R135 PolarHBondContact O-N 3.42Å; K132-N136 PolarHBondContact O-N 3.31Å; K132-N136 VanDerWaalsContact O-N 3.16Å; K132-N136 PolarHBondContact O-ND2 3.13Å; K132-N136 PolarHBondContact O-OD1 3.43Å
133H84.3Confident78.4Confident87 Ų8790.8 Ų90.840%0.40345%0.446SS..Hα-helixtrans-65.1-48.2175.8-162.6-18.9000111.5E115 E129 T130 R135 N136 Q137E115-H133 IonicContact OE2-CD2 3.48Å; E115-H133 PolarHBondContact OE2-CD2 3.26Å; E129-H133 PolarHBondContact O-N 2.97Å; T130-H133 WeakPolarHBondContact O-CB 3.38Å; T130-H133 PolarHBondContact O-N 3.08Å; H133-R135 VanDerWaalsContact C-N 3.32Å; H133-R135 PolarHBondContact O-N 2.92Å; H133-N136 PolarHBondContact O-N 3.41Å; H133-N136 VanDerWaalsContact O-N 3.16Å; H133-Q137 PolarHBondContact CE1-NE2 2.76Å; H133-Q137 VanDerWaalsContact CE1-NE2 3.28Å; H133-Q137 PolarHBondContact ND1-NE2 3.03Å; H133-Q137 PolarHBondContact O-N 2.95Å
134L84.2Confident76.6Confident87 Ų8796.1 Ų96.146%0.45548%0.482SS..Hα-helixtrans-59.2-41.7176.2-92.464.9000111.7T130 N136 Q137 K138T130-L134 HydrophobicContact CG2-CD1 3.97Å; T130-L134 WeakPolarHBondContact O-CD1 3.48Å; T130-L134 PolarHBondContact O-N 2.93Å; L134-N136 VanDerWaalsContact C-N 3.28Å; L134-N136 PolarHBondContact O-N 2.92Å; L134-Q137 PolarHBondContact O-N 3.37Å; L134-K138 PolarHBondContact O-N 3.45Å
135R86Confident74.5Confident177 Ų17798.3 Ų98.367%0.66850%0.503SS*.Hα-helixtrans-62.1-35.9177.3-161.4-172.282.3141.67.1112.5L131 K132 H133L131-R135 WeakPolarHBondContact O-CB 3.48Å; L131-R135 PolarHBondContact O-N 3.22Å; K132-R135 PolarHBondContact O-N 3.42Å; H133-R135 VanDerWaalsContact C-N 3.32Å; H133-R135 PolarHBondContact O-N 2.92Å
136N81.1Confident72.6Confident88 Ų88100.6 Ų100.647%0.47152%0.521SS..Hα-helixtrans-74.4-43179.4-66.3-9.4000111.4K132 H133 L134 K138 I139K132-N136 PolarHBondContact O-N 3.31Å; K132-N136 VanDerWaalsContact O-N 3.16Å; K132-N136 PolarHBondContact O-ND2 3.13Å; K132-N136 PolarHBondContact O-OD1 3.43Å; H133-N136 PolarHBondContact O-N 3.41Å; H133-N136 VanDerWaalsContact O-N 3.16Å; L134-N136 VanDerWaalsContact C-N 3.28Å; L134-N136 PolarHBondContact O-N 2.92Å; N136-K138 VanDerWaalsContact C-N 3.26Å; N136-K138 PolarHBondContact O-N 2.95Å; N136-I139 PolarHBondContact O-N 2.92Å; N136-I139 VanDerWaalsContact O-N 3.13Å
137Q75.7Confident70.6Confident99 Ų99105.8 Ų105.846%0.46356%0.557SS.*Hα-helixtrans-57.5-38.6177.1-70.5179.221.300112.3H133 L134 I139 D140H133-Q137 PolarHBondContact CE1-NE2 2.76Å; H133-Q137 VanDerWaalsContact CE1-NE2 3.28Å; H133-Q137 PolarHBondContact ND1-NE2 3.03Å; H133-Q137 PolarHBondContact O-N 2.95Å; L134-Q137 PolarHBondContact O-N 3.37Å; Q137-I139 PolarHBondContact O-N 3.27Å; Q137-I139 VanDerWaalsContact O-N 3.14Å; Q137-D140 PolarHBondContact O-N 3.49Å
138K70.8Confident68.7Low166 Ų166109 Ų10972%0.72259%0.587SS**Hα-helixtrans-65.6-15.9-179.1-165.2172.7-179-179.40114.2L134 N136 T142L134-K138 PolarHBondContact O-N 3.45Å; N136-K138 VanDerWaalsContact C-N 3.26Å; N136-K138 PolarHBondContact O-N 2.95Å; K138-T142 PolarHBondContact O-OG1 3.43Å
139I64.2Low66.7Low102 Ų102109.4 Ų109.452%0.52360%0.598SS.*Hα-helixtrans-80.4-40-179.5-64.1170.9000110.7N136 Q137 E141 T142N136-I139 PolarHBondContact O-N 2.92Å; N136-I139 VanDerWaalsContact O-N 3.13Å; Q137-I139 PolarHBondContact O-N 3.27Å; Q137-I139 VanDerWaalsContact O-N 3.14Å; I139-E141 PolarHBondContact O-N 2.87Å; I139-T142 PolarHBondContact O-N 3.25Å
140D60.7Low65.1Low126 Ų126114.1 Ų114.167%0.67463%0.625SS**Hα-helixtrans-72.4-24.5-174.6-66.2-34000113.8Q137 T142Q137-D140 PolarHBondContact O-N 3.49Å; D140-T142 VanDerWaalsContact C-N 3.29Å; D140-T142 PolarHBondContact O-N 3.05Å
141E59.6Low63.4Low164 Ų164121.4 Ų121.477%0.76666%0.664SS**THydrogen-bonded Turntrans-71.3-17.2178.7-74-80.9127.500114I139I139-E141 PolarHBondContact O-N 2.87Å
142T56.3Low61.7Low105 Ų105122 Ų12264%0.64468%0.677SS**THydrogen-bonded Turntrans-87.3-17.7-168.4-41.50000113.9K138 I139 D140K138-T142 PolarHBondContact O-OG1 3.43Å; I139-T142 PolarHBondContact O-N 3.25Å; D140-T142 VanDerWaalsContact C-N 3.29Å; D140-T142 PolarHBondContact O-N 3.05Å
143D51.7Low59.9Low148 Ų148126.7 Ų126.779%0.79169%0.691SS**SBendtrans-104.8-0.3-173-76.3-19.1000114.8
144S50.4Low58.3Low111 Ų111130.6 Ų130.678%0.77671%0.714SS**SBendtrans-96.912.8-171-70.70000116.3
145S44.5Very low56.9Low105 Ų105136 Ų13673%0.73474%0.735SS**  trans-121.747.9-17757.90000114.6
146T48.7Very low55.2Low132 Ų132133 Ų13381%0.8174%0.74SS**  trans-136.395.5160.8-55.10000112.7
147S43.8Very low54Low110 Ų110133.7 Ų133.777%0.76975%0.752SS**  trans22117.1140.6-56.60000120.4
148A47.6Very low52.7Low97 Ų97140.4 Ų140.480%0.80277%0.773SS**  trans70.9119.213600000120.7
149S45.6Very low51.8Low95 Ų95139.9 Ų139.966%0.66478%0.777SS**  trans65.799.5131.8-157.10000118.7
150N52.6Low51.2Low154 Ų154140.1 Ų140.182%0.82479%0.785SS**  177150.699.2-93.9-62.4000113.3
151N49Very low50.4Low163 Ų163139.8 Ų139.887%0.87279%0.787SS**  trans-58.5132164.1-93.9-44.3000111.1
152S51.5Low49.9Very low116 Ų116139.1 Ų139.181%0.81179%0.788SS**  -159.6140.2126.3-159.20000112.9
153R49.5Very low49.7Very low228 Ų228141.5 Ų141.586%0.8679%0.792SS**  trans-74.3140170.4-57.7162.4-176.4135.91.1108.2
154N51.3Low49.1Very low169 Ų169139.9 Ų139.990%0.90479%0.792SS**  trans-164.1153.8132-98.3-29.6000113.5
155K54.6Low49Very low202 Ų202146.1 Ų146.188%0.87880%0.799SS**  trans-86.8160.3-173.5-64.5168.7174.81740112.1
156S51Low48.9Very low112 Ų112150.3 Ų150.378%0.78380%0.804SS**  trans106.3137.4138-157.30000118.7
157S54.2Low48.9Very low103 Ų103149.9 Ų149.972%0.7280%0.801SS**  trans70.6133.8168.983.10000115.4
158R49.4Very low48.9Very low240 Ų240148.8 Ų148.891%0.90679%0.793SS**  cis-143.7145.58.5-108.7157.5-172.1159.21.2111.4
159I52.3Low48.6Very low155 Ų155153.8 Ų153.880%0.79580%0.797SS**  trans-89.7149.8164.8-69.6169.6000105.1
160P51.4Low48.2Very low107 Ų107155.8 Ų155.870%0.69580%0.796SS**  -151.2151.561.241.5-19.7000122.3
161V43.2Very low47.5Very low119 Ų119153.6 Ų153.672%0.72179%0.793SS**  trans-61.2132.8149.6171.10000110.6
162L48.9Very low47.4Very low151 Ų151153.5 Ų153.579%0.79179%0.787SS**  trans-129.997.6161.6-79.2160.8000106.5
163Q53.2Low47Very low154 Ų154154 Ų15472%0.7279%0.785SS**  53.596.682.7-66.3-167.9-22.100114.2
164S39.1Very low46.6Very low115 Ų115147.6 Ų147.680%0.80478%0.775SS**  trans47.689.8130.4-51.70000118.9K166S164-K166 PolarHBondContact O-N 2.94Å
165R47.1Very low46.2Very low241 Ų241145.2 Ų145.291%0.90976%0.763SS**  trans-90.186.2146.9-73-167.5-167.7175.77.1110.5T167R165-T167 PolarHBondContact O-N 3.45Å
166K43.7Very low45.8Very low194 Ų194144.1 Ų144.184%0.84376%0.758SS**  trans-8289.8160.8-175.9-178.2-178.1-1780107.7S164 S168S164-K166 PolarHBondContact O-N 2.94Å; K166-S168 PolarHBondContact O-N 2.88Å
167T47.1Very low45.2Very low123 Ų123144 Ų14476%0.75575%0.753SS**  trans-81.6104.8166.248.90000108R165 F169R165-T167 PolarHBondContact O-N 3.45Å; T167-F169 PolarHBondContact O-N 3.47Å; T167-F169 VanDerWaalsContact O-N 3.16Å
168S43.9Very low44.6Very low86 Ų86146.3 Ų146.360%0.60176%0.756SS**  trans-64.1112.1170-162.40000108.3K166 E170K166-S168 PolarHBondContact O-N 2.88Å; S168-E170 VanDerWaalsContact C-N 3.29Å; S168-E170 PolarHBondContact O-N 3.48Å
169F41.1Very low44.1Very low202 Ų202141.7 Ų141.789%0.88675%0.749SS**  trans-86.982.7163.2-159.5-92000106.6T167 S171T167-F169 PolarHBondContact O-N 3.47Å; T167-F169 VanDerWaalsContact O-N 3.16Å; F169-S171 PolarHBondContact O-N 3Å
170E37.1Very low43.5Very low138 Ų138140.3 Ų140.365%0.64575%0.749SS**  trans-76116.4-177.8-166162.4136.600109.5S168 Q172S168-E170 VanDerWaalsContact C-N 3.29Å; S168-E170 PolarHBondContact O-N 3.48Å; E170-Q172 PolarHBondContact O-N 3.38Å
171S38.6Very low43.4Very low108 Ų108140.6 Ų140.676%0.75575%0.75SS**  trans-76104175.5-169.40000109F169F169-S171 PolarHBondContact O-N 3Å
172Q47.5Very low43.2Very low160 Ų160142.2 Ų142.275%0.74876%0.755SS**  trans-117.5133.3164-73.4-122.32500109.9E170E170-Q172 PolarHBondContact O-N 3.38Å
173V42.6Very low42.9Very low127 Ų127145 Ų14577%0.7776%0.755SS**  trans-86.4163-175.9174.10000109.7
174S41.7Very low42.3Very low93 Ų93142.7 Ų142.765%0.6575%0.747SS**  trans89106.5166-91.50000119
175D41.8Very low42.8Very low120 Ų120142.1 Ų142.164%0.64274%0.739SS**  86.5123.7123.3-76.3-71.5000121.4
176K46.2Very low42.7Very low178 Ų178138 Ų13877%0.77474%0.735SS**  trans80.5105.6141.3-70.1168-172.1171.10119.6
177T39.3Very low42.9Very low111 Ų111132.5 Ų132.568%0.68173%0.734SS**  92.5106.2113-59.60000118.8
178L42.3Very low42.6Very low150 Ų150132.3 Ų132.379%0.78574%0.737SS**  trans76.6146.3143.3-69.8170.1000121.8
179N37.6Very low42.9Very low143 Ų143134.1 Ų134.177%0.76575%0.75SS**  trans78.694.8155.7-64.1-4.7000120.1
180T40.4Very low43.3Very low127 Ų127134 Ų13478%0.77975%0.749SS**  trans-53.2165.3134.758.40000110.1
181P48.3Very low43.8Very low113 Ų113134 Ų13473%0.73476%0.758SS**  -163.2175.751.546.9-24000121.7
182N39.8Very low44.3Very low152 Ų152137 Ų13781%0.81376%0.757SS**  trans85.4159.7136.1-132.8-14.3000123.2
183R41.9Very low43.8Very low209 Ų209137.2 Ų137.279%0.78976%0.758SS**  trans78.4134.7172.3-75.1-177.283.81651116.1
184N41.9Very low43.8Very low106 Ų106135.5 Ų135.557%0.56776%0.758SS**  cis-163.3148.53.6-145.925.6000112.5
185V48.9Very low43.9Very low103 Ų103138.1 Ų138.162%0.62476%0.763SS**  trans33.9152.7143.9-59.50000122.1
186N44.4Very low44Very low155 Ų155140.6 Ų140.683%0.82978%0.776SS**  cis-160.8150.40.7-113-8.6000108.5
187G49.4Very low43.4Very low79 Ų79137.7 Ų137.781%0.81477%0.773SS**  trans178.288.9172.300000113.2
188S40.9Very low43.5Very low118 Ų118137.5 Ų137.583%0.82578%0.776SS**  trans-91.2133.9-176.7-620000113.4
189S49.7Very low43.6Very low124 Ų124139.3 Ų139.387%0.86778%0.781SS**  trans-158149.3140.9-86.60000111.4
190K48.6Very low43.8Very low200 Ų200140.6 Ų140.687%0.8778%0.782SS**  trans-63154.4-177.1-61.9169.7176.8178.10110
191V47.7Very low43.7Very low137 Ų137140.6 Ų140.683%0.8378%0.783SS**  -159.1153.673.2163.40000112.1
192K49.1Very low43Very low171 Ų171140.4 Ų140.474%0.74378%0.781SS**  trans-21132.6167.7-76.1-175.4171.4-165.10118.3
193E37.4Very low42.7Very low165 Ų165141.1 Ų141.177%0.77178%0.784SS**  77.6122.770.1-169.2-178.9-144.100110.9
194A42.9Very low42.6Very low92 Ų92140.6 Ų140.676%0.7679%0.791SS**  cis-145.8159.16.100000112.7
195I43.7Very low42.3Very low147 Ų147143.9 Ų143.975%0.75480%0.802SS**  trans-112.1136.6166.1-64.3159.8000107.6
196N42.8Very low41.9Very low172 Ų172145 Ų14592%0.9281%0.81SS**  trans-131.8119.4157.6-95.5-21.4000109.3
197T34.4Very low41.7Very low117 Ų117142.7 Ų142.772%0.71880%0.801SS**  trans-125.8155.2175.5-60.60000107.4
198S41.7Very low41.6Very low107 Ų107144 Ų14475%0.74879%0.793SS**  trans84139.9-168.5-350000111.8
199Q44Very low41.7Very low189 Ų189145.7 Ų145.788%0.88379%0.793SS**  cis-151.2171.323-137.6156.725.200111.9
200E42.2Very low41.7Very low169 Ų169147.6 Ų147.679%0.7979%0.788SS**  trans-91169.8-169-49.6170.6104.500115.1
201T37.5Very low41.4Very low128 Ų128143.9 Ų143.979%0.78579%0.787SS**  trans71.8159.5154.258.70000118.9
202P33.7Very low41.6Very low108 Ų108142.7 Ų142.770%0.70178%0.784SS**  -134.5165.9-75.233.6-13.1000114.9
203L33.7Very low41.3Very low168 Ų168145 Ų14588%0.8879%0.789SS**  trans24.4108.1159.2-59.3179.9000118.6
204Q40.7Very low41.9Very low198 Ų198143 Ų14393%0.92579%0.788SS**  trans-149.1140142.8-124.8153.696.200113
205E35.6Very low42.3Very low174 Ų174145.4 Ų145.481%0.81378%0.783SS**  trans-82.6124-171.1176.1-176.5176.400111.3
206V40.7Very low42.7Very low128 Ų128146.9 Ų146.978%0.77679%0.789SS**  trans-138.6111.2164.6-177.90000110.2T208V206-T208 HydrophobicContact CG1-CG2 4.45Å
207V39.3Very low42.8Very low106 Ų106149.9 Ų149.964%0.64279%0.788SS**  trans-77.5123.2171.5175.10000109.8
208T47.5Very low43.8Very low107 Ų107150.9 Ų150.966%0.65679%0.794SS**  trans-137.899.9159.648.60000111.6V206 H210V206-T208 HydrophobicContact CG1-CG2 4.45Å; T208-H210 PolarHBondContact O-ND1 3.12Å
209N42.4Very low44.1Very low153 Ų153151.1 Ų151.182%0.81880%0.795SS**  trans-66.4135.9169.5-69.9-43.6000110.6
210H49.5Very low44.1Very low164 Ų164148.9 Ų148.976%0.75979%0.794SS**  trans-142.6116.3155.942.7-78.9000110.8T208T208-H210 PolarHBondContact O-ND1 3.12Å
211S42.3Very low44.4Very low122 Ų122147.9 Ų147.985%0.85379%0.793SS**  trans-68.6127178.6-67.50000111.7
212S52.7Low44.4Very low111 Ų111145 Ų14578%0.77679%0.789SS**  trans-13477161.6-81.90000111.3T214S212-T214 PolarHBondContact O-N 3.34Å; S212-T214 VanDerWaalsContact O-N 3.16Å
213R42.9Very low45Very low220 Ų220145.2 Ų145.283%0.8379%0.792SS**  trans-34.4105.4160.3176-172.4-174.3171.91.6113
214T50.3Low45.5Very low124 Ų124143.9 Ų143.976%0.76179%0.791SS**  trans-115125.5162.4-59.60000109.5S212S212-T214 PolarHBondContact O-N 3.34Å; S212-T214 VanDerWaalsContact O-N 3.16Å
215Q51.1Low45.7Very low142 Ų142142 Ų14266%0.66479%0.788SS**  trans-88.2128.7179.3-59173.448.900109.4
216M52.2Low46.2Very low177 Ų177138.6 Ų138.687%0.87278%0.783SS**  trans-129.6117.7158.7-80.4-65.4-176.300108.5
217R44Very low46.5Very low235 Ų235138.6 Ų138.689%0.88779%0.786SS**  trans-90.6125.2175.5-57.5165.684.1-178.87.6107
218T55.3Low46.8Very low138 Ų138144.1 Ų144.185%0.84780%0.795SS**  trans-128.6135.7159.9520000110.3
219S49.4Very low46.8Very low112 Ų112144 Ų14478%0.78380%0.796SS**  trans-66.6146.2-164.5-48.70000114I221S219-I221 PolarHBondContact O-N 2.94Å
220V44.1Very low47.1Very low142 Ų142144.5 Ų144.586%0.86180%0.798SS**  trans-63.1126.6160.5175.80000109.1
221I47.8Very low47.1Very low149 Ų149142.4 Ų142.476%0.76480%0.797SS**  trans-123.8110156.9-62179.2000106.2S219S219-I221 PolarHBondContact O-N 2.94Å
222G38.3Very low47.4Very low67 Ų67141.6 Ų141.669%0.69179%0.789SS**  trans-83.1133.9167.700000109.6
223S45.2Very low47.1Very low112 Ų112143.6 Ų143.678%0.78379%0.791SS**  trans-139.7114.2161.7-74.90000108.6
224T45.3Very low47.1Very low140 Ų140138.6 Ų138.686%0.85979%0.789SS**  trans-73.2124.8166.447.90000109.4
225D43.8Very low46.9Very low160 Ų160138.8 Ų138.886%0.85679%0.793SS**  -162.4155.6127.9-141.3-13.3000112.3
226S45.6Very low46.4Very low101 Ų101136.3 Ų136.371%0.70680%0.797SS**  trans-112.4155.7166.2-70.70000109.1
227P48.1Very low46.2Very low129 Ų129136.4 Ų136.484%0.83880%0.8SS**  -145.6150.8114.528.9-10.6000115.6
228R45.8Very low46.2Very low221 Ų221129.8 Ų129.883%0.83479%0.789SS**  trans-102.9140.8172.8179.2-169.1-169.1-157.56.9110.1
229P47.8Very low45.7Very low104 Ų104128.5 Ų128.568%0.67579%0.786SS**  trans-107.4123.9154.40.720.7000110.9
230L46.8Very low45.5Very low164 Ų164130.1 Ų130.186%0.85979%0.791SS**  86.9118.989.5-71.8177.3000114.1
231T49.8Very low45.5Very low120 Ų120126.3 Ų126.374%0.73678%0.78SS**  trans-87.8171.2168.658.20000109.9
232P48.8Very low45.4Very low105 Ų105129.1 Ų129.168%0.68279%0.787SS**  -156.8170.587.441.6-21.7000118.3
233N46.7Very low46.1Very low154 Ų154131.1 Ų131.182%0.82479%0.786SS**  trans81.3110151.9-60.5-19000122.8
234S42.3Very low45.9Very low114 Ų114133.9 Ų133.980%0.79779%0.786SS**  trans-76.5-173.8157.7-26.10000111.3
235P47Very low46.1Very low128 Ų128132.3 Ų132.383%0.83178%0.781SS**  cis-140.4-178.53140.7-18.3000118.3
236A40.2Very low46.3Very low90 Ų90131 Ų13174%0.74478%0.781SS**  trans-79.7160.6-169.300000116.2
237L49Very low46.1Very low180 Ų180129.9 Ų129.994%0.94279%0.786SS**  trans-136.9159.5139.7-83.2-178.7000109.8
238S43.7Very low45.9Very low95 Ų95135.3 Ų135.366%0.66479%0.789SS**  trans-129.2149.5-151.653.90000115
239S44.4Very low46Very low112 Ų112129.4 Ų129.478%0.78379%0.788SS**  trans68.4157.9151.883.40000116.8
240V45.4Very low45.7Very low146 Ų146131.9 Ų131.989%0.88580%0.796SS**  cis-163.4154.2-12.81200000108.7
241G42.8Very low45.6Very low61 Ų61129.3 Ų129.363%0.62979%0.791SS**  trans123.1114.9165.300000113.4
242K46.4Very low45.2Very low208 Ų208127 Ų12790%0.90479%0.792SS**  55126.173.8-80-162170.4-172.50112.6
243V52.7Low44.6Very low110 Ų110126.3 Ų126.367%0.66780%0.804SS**  cis-155.4-179.3-7.9-75.80000106.8
244E40.9Very low44.7Very low170 Ų170124.7 Ų124.779%0.79480%0.804SS**  cis-148.7-135.910-156.9124.487.100112
245S49.7Very low45.3Very low107 Ų107124.6 Ų124.675%0.74880%0.803SS**  trans-127.2-168.2-171.7-58.10000112.3
246P49.3Very low45.9Very low132 Ų132124.2 Ų124.286%0.85780%0.801SS**  -128.1167.9-75.238.5-23.8000113.8
247G40.4Very low46.6Very low78 Ų78125.1 Ų125.180%0.80480%0.802SS**  trans-15797.2-179.600000117.7
248R45Very low47.3Very low242 Ų242123.6 Ų123.691%0.91379%0.793SS**  trans29.9116.1151.4-77.516462.4172.1-1121.5
249A46.6Very low47.9Very low98 Ų98124.7 Ų124.781%0.8180%0.795SS**  58.1120.3126.300000121.3
250N42.6Very low48.9Very low156 Ų156128.9 Ų128.983%0.83479%0.794SS**  -152.9154.8110.1-15611.8000112.5
251S43.9Very low49.7Very low109 Ų109128 Ų12876%0.76279%0.789SS**  trans-81.4145.1175.651.80000112.8
252G40.8Very low50.7Low73 Ų73133.6 Ų133.675%0.75380%0.796SS**  trans-172.8105.4168.900000111.2
253G37.1Very low51.7Low90 Ų90127.9 Ų127.993%0.92879%0.787SS**  trans-69.6136.9-179.500000111.9
254S47.5Very low52.3Low119 Ų119128.7 Ų128.783%0.83280%0.795SS**  trans-130.5104.7175.2-166.60000109.5
255S55.6Low53.4Low112 Ų112127.2 Ų127.278%0.78380%0.797SS**PPolyproline II helixtrans-71.2138.1175.2-59.70000110.1S257S255-S257 PolarHBondContact O-N 3.49Å
256P59.9Low54Low121 Ų121131.5 Ų131.579%0.78680%0.803SS**PPolyproline II helixtrans-69.4124-177.827.7-33.8000111.3I258P256-I258 PolarHBondContact O-N 3.27Å
257S54.7Low54.6Low108 Ų108135.1 Ų135.176%0.75581%0.805SS**PPolyproline II helixtrans-68.7121.9172.9-173.60000110.5S255 V259S255-S257 PolarHBondContact O-N 3.49Å; S257-V259 PolarHBondContact O-N 3.3Å; S257-V259 VanDerWaalsContact O-N 3.15Å
258I63.1Low55.4Low148 Ų148140.8 Ų140.876%0.75981%0.81SS**  trans-77.899.6174.7-64.2177.2000108.7P256 R260P256-I258 PolarHBondContact O-N 3.27Å; I258-R260 HydrophobicContact CG2-CG 4.34Å; I258-R260 PolarHBondContact O-N 2.96Å; I258-R260 VanDerWaalsContact O-N 3.14Å
259V56.3Low55.8Low118 Ų118134.5 Ų134.572%0.71580%0.803SS**  trans-72101.9169.8-1790000108.6S257 V261S257-V259 PolarHBondContact O-N 3.3Å; S257-V259 VanDerWaalsContact O-N 3.15Å; V259-V261 HydrophobicContact CG1-CG2 4.1Å; V259-V261 PolarHBondContact O-N 2.71Å; V259-V261 VanDerWaalsContact O-N 3.15Å
260R66.7Low56.4Low201 Ų201135.6 Ų135.676%0.75881%0.805SS**  trans-74.698.6170-71.1-175.6175.8-176.5-2.6109.7I258 F262I258-R260 HydrophobicContact CG2-CG 4.34Å; I258-R260 PolarHBondContact O-N 2.96Å; I258-R260 VanDerWaalsContact O-N 3.14Å; R260-F262 HydrophobicContact CB-CE2 4.3Å; R260-F262 PolarHBondContact O-N 3.4Å
261V62.3Low57Low127 Ų127134.6 Ų134.677%0.7780%0.799SS**  trans-77.1107.1171.4-177.90000108.9V259V259-V261 HydrophobicContact CG1-CG2 4.1Å; V259-V261 PolarHBondContact O-N 2.71Å; V259-V261 VanDerWaalsContact O-N 3.15Å
262F62.3Low58Low179 Ų179136.3 Ų136.379%0.78580%0.8SS**PPolyproline II helixtrans-76.4122.9171.3-74.8-90.7000110.1R260R260-F262 HydrophobicContact CB-CE2 4.3Å; R260-F262 PolarHBondContact O-N 3.4Å
263A68.6Low59Low87 Ų87139.2 Ų139.272%0.71980%0.798SS**PPolyproline II helixtrans-80.1139.4171.300000110.5V265A263-V265 PolarHBondContact O-N 2.97Å
264P64.6Low60.3Low128 Ų128140.5 Ų140.583%0.83178%0.784SS**PPolyproline II helixtrans-75.2124179.529.6-33.4000111.3K266P264-K266 PolarHBondContact O-N 3.32Å
265V63.7Low61Low139 Ų139142.7 Ų142.784%0.84278%0.778SS**PPolyproline II helixtrans-71.1119.7170.5175.40000109A263 K267A263-V265 PolarHBondContact O-N 2.97Å; V265-K267 PolarHBondContact O-N 2.84Å
266K63Low61.6Low197 Ų197142 Ų14286%0.85777%0.773SS**PPolyproline II helixtrans-64.2122.5169.2-76.9-177.6173.3-178.70109.3P264 Q268P264-K266 PolarHBondContact O-N 3.32Å; K266-Q268 PolarHBondContact O-N 3.08Å
267K62.9Low61.8Low208 Ų208143.5 Ų143.590%0.90478%0.775SS**PPolyproline II helixtrans-62.1127.7166.8-69.5-175.4175-1760109.1V265V265-K267 PolarHBondContact O-N 2.84Å
268Q56.1Low62.6Low196 Ų196143.5 Ų143.592%0.91677%0.77SS**PPolyproline II helixtrans-70.7132.1163.8-76.5176.6-79.600108.9K266K266-Q268 PolarHBondContact O-N 3.08Å
269S52.8Low62.7Low110 Ų110143 Ų14377%0.76977%0.769SS**  trans-78.5115.2170.149.30000109.9L271S269-L271 PolarHBondContact O-N 2.94Å
270S59.2Low63.6Low121 Ų121144.8 Ų144.885%0.84677%0.774SS**  trans-81.498.7161.452.60000108.9
271L56.2Low63.7Low135 Ų135141.5 Ų141.571%0.70777%0.772SS**  trans-75.3138.5161-141.490.8000108.2S269S269-L271 PolarHBondContact O-N 2.94Å
272N63.8Low63.9Low146 Ų146142.1 Ų142.178%0.78177%0.771SS**  trans175104.7160-81.1-24.8000103.1
273D63Low64.2Low133 Ų133141.1 Ų141.171%0.71177%0.774SS**  62134.170.2-56.3-36.1000112.2
274D64.6Low64.1Low118 Ų118143.9 Ų143.963%0.63178%0.776SS**  cis-170.8151-14.8-17819.9000107.8
275K61.7Low64.2Low164 Ų164145.9 Ų145.971%0.71378%0.778SS**  trans64.8159.5157.5-91.5164.6-157.569.60124.8
276S67.2Low64.2Low97 Ų97146.2 Ų146.268%0.67877%0.771SS**  trans60.211217549.90000115.6
277D65Low64.1Low154 Ų154145 Ų14582%0.82477%0.765SS**  cis62.684.716.5-132.335.5000112.8
278V71.8Confident63.8Low107 Ų107145.1 Ų145.165%0.64879%0.79SS**  trans-143104.4164.8178.80000106
279D64.6Low64.2Low139 Ų139142.6 Ų142.674%0.74378%0.784SS**  trans-76.9123.2160.1-63.7-60.3000107.5
280D75.7Confident64.8Low154 Ų154144.3 Ų144.382%0.82478%0.784SS**  trans-109.889.3166.2-77.8-46.9000107.6
281D69Low65.1Low132 Ų132145.6 Ų145.671%0.70678%0.781SS**  trans-68163.2164.4-78.9-53.2000111.1
282D66.4Low65.6Low141 Ų141146.2 Ų146.275%0.75479%0.785SS**  trans57.9114.4158.1-58.6-31.3000119.2
283D67.9Low65.7Low157 Ų157146.2 Ų146.284%0.8479%0.786SS**  -178.6149.397.7-101.8-31.4000113.9
284D66.7Low65.9Low145 Ų145147.1 Ų147.178%0.77579%0.79SS**  trans-45.8151.9176.8-68.6-52.5000117.1
285I66.1Low66Low170 Ų170149.1 Ų149.187%0.87280%0.802SS**  -175.1145110.8-96.7160.7000113.7
286E64.8Low66.3Low146 Ų146148 Ų14868%0.68281%0.809SS**  trans-67.9172.8-179.7-49.1-178.712100116.1
287K60.8Low66.2Low172 Ų172152.3 Ų152.375%0.74882%0.82SS**  trans79.6101.6151.1-74167.7176.4119.30118.5
288C56Low66.4Low210 Ų210152.1 Ų152.1100%1.41982%0.819SS**  -140.90108.4-85.50000109.8

Retrieved 288 of 288 residues in 172.2 ms (Link to these results)