G4VHT8_SCHMA Loading...

CUPID domain-containing protein

AlphaFold DB , UniProt , Accession G4VHT8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 390 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
1M51.6Low85.4Confident243 Ų243118.6 Ų118.6100%1.19760%0.6SS**  0130.80-66.4-178.882.600107.9
2A72.6Confident86.2Confident72 Ų72123.9 Ų123.960%0.59561%0.607SS**  trans-60.3142.3173.100000109.4V6A2-V6 HydrophobicContact CB-CB 4.19Å; A2-V6 HydrophobicContact CB-CG1 4.01Å
3S87.7Confident86.9Confident59 Ų59119.5 Ų119.541%0.41359%0.587SS.*  trans-64.1152.817873.50000110.2Q5 V6 Y7S3-Q5 PolarHBondContact O-N 2.9Å; S3-V6 WeakPolarHBondContact O-CB 3.11Å; S3-V6 PolarHBondContact O-N 2.87Å; S3-V6 WeakPolarHBondContact OG-CG2 3.27Å; S3-V6 PolarHBondContact OG-N 2.75Å; S3-Y7 PolarHBondContact O-N 3.14Å; S3-Y7 VanDerWaalsContact O-N 3.11Å
4A87.5Confident87.3Confident71 Ų71115.8 Ų115.859%0.58758%0.579SS**Hα-helixtrans-55.2-27.5176.200000112.7R8A4-R8 VanDerWaalsContact O-CG 3.3Å; A4-R8 WeakPolarHBondContact O-CG 3.45Å; A4-R8 PolarHBondContact O-N 3.21Å; A4-R8 VanDerWaalsContact O-N 3.11Å
5Q89.3Confident87.7Confident157 Ų157114.2 Ų114.273%0.73457%0.573SS**Hα-helixtrans-68.2-44.4173.8-68.5177.8-17.500112.1S3 Y7 R8 F9S3-Q5 PolarHBondContact O-N 2.9Å; Q5-Y7 VanDerWaalsContact C-N 3.33Å; Q5-Y7 PolarHBondContact O-N 2.86Å; Q5-R8 PolarHBondContact O-N 3.1Å; Q5-F9 WeakPolarHBondContact O-CB 3.24Å; Q5-F9 PolarHBondContact O-N 2.72Å
6V89.9Confident88.2Confident61 Ų61114.7 Ų114.737%0.3758%0.577SS.*Hα-helixtrans-61.7-42.6176.2173.10000110.6A2 S3 F9 Q10A2-V6 HydrophobicContact CB-CB 4.19Å; A2-V6 HydrophobicContact CB-CG1 4.01Å; S3-V6 WeakPolarHBondContact O-CB 3.11Å; S3-V6 PolarHBondContact O-N 2.87Å; S3-V6 WeakPolarHBondContact OG-CG2 3.27Å; S3-V6 PolarHBondContact OG-N 2.75Å; V6-F9 PolarHBondContact O-N 2.86Å; V6-Q10 HydrophobicContact CG1-CG 4.4Å; V6-Q10 WeakPolarHBondContact O-CG 3.26Å; V6-Q10 PolarHBondContact O-N 2.84Å
7Y90.3Very high88.6Confident145 Ų145115.4 Ų115.457%0.56958%0.578SS**Hα-helixtrans-62-46177.1-177.6-96.7000112.4S3 Q5 F9 Q10 Q11S3-Y7 PolarHBondContact O-N 3.14Å; S3-Y7 VanDerWaalsContact O-N 3.11Å; Q5-Y7 VanDerWaalsContact C-N 3.33Å; Q5-Y7 PolarHBondContact O-N 2.86Å; Y7-F9 VanDerWaalsContact C-N 3.29Å; Y7-F9 PolarHBondContact O-N 2.94Å; Y7-Q10 PolarHBondContact O-N 2.81Å; Y7-Q11 WeakPolarHBondContact O-CB 3.44Å; Y7-Q11 PolarHBondContact O-N 2.7Å
8R91.1Very high88.8Confident166 Ų166112.6 Ų112.663%0.62657%0.571SS**Hα-helixtrans-61-38.5176.1-73.5174.6-176.5-174.91.7112.1A4 Q5 R12A4-R8 VanDerWaalsContact O-CG 3.3Å; A4-R8 WeakPolarHBondContact O-CG 3.45Å; A4-R8 PolarHBondContact O-N 3.21Å; A4-R8 VanDerWaalsContact O-N 3.11Å; Q5-R8 PolarHBondContact O-N 3.1Å; R8-R12 WeakPolarHBondContact O-CG 3.29Å; R8-R12 PolarHBondContact O-N 3.39Å; R8-R12 VanDerWaalsContact O-N 3.08Å
9F94.1Very high89.1Confident128 Ų128113.2 Ų113.256%0.56157%0.571SS**Hα-helixtrans-67.1-46.3177.2-178.3-106.6000111.8Q5 V6 Y7 Q11 R12 I13Q5-F9 WeakPolarHBondContact O-CB 3.24Å; Q5-F9 PolarHBondContact O-N 2.72Å; V6-F9 PolarHBondContact O-N 2.86Å; Y7-F9 VanDerWaalsContact C-N 3.29Å; Y7-F9 PolarHBondContact O-N 2.94Å; F9-Q11 VanDerWaalsContact C-N 3.31Å; F9-Q11 PolarHBondContact O-N 2.66Å; F9-R12 PolarHBondContact O-N 2.95Å; F9-R12 VanDerWaalsContact O-N 3.16Å; F9-I13 HydrophobicContact CD1-CD1 3.79Å; F9-I13 HydrophobicContact CE1-CD1 3.22Å; F9-I13 HydrophobicContact CE1-CG1 4.24Å; F9-I13 HydrophobicContact CE2-CD1 4.25Å; F9-I13 HydrophobicContact CZ-CD1 3.49Å; F9-I13 VanDerWaalsContact CZ-CD1 3.49Å; F9-I13 HydrophobicContact CZ-CG1 4.22Å; F9-I13 PolarHBondContact O-N 3.13Å
10Q92.4Very high89.4Confident107 Ų107113.9 Ų113.950%0.557%0.572SS.*Hα-helixtrans-59-42.2175.2-73.4173-1.400111.9V6 Y7 R12 I13 S14V6-Q10 HydrophobicContact CG1-CG 4.4Å; V6-Q10 WeakPolarHBondContact O-CG 3.26Å; V6-Q10 PolarHBondContact O-N 2.84Å; Y7-Q10 PolarHBondContact O-N 2.81Å; Q10-R12 PolarHBondContact O-N 3.13Å; Q10-I13 PolarHBondContact O-N 2.82Å; Q10-S14 PolarHBondContact O-N 2.82Å
11Q93.1Very high89.6Confident96 Ų96114.1 Ų114.145%0.44957%0.571SS.*Hα-helixtrans-62.4-41.2176.1-171176.91700112.1Y7 F9 S14 N15Y7-Q11 WeakPolarHBondContact O-CB 3.44Å; Y7-Q11 PolarHBondContact O-N 2.7Å; F9-Q11 VanDerWaalsContact C-N 3.31Å; F9-Q11 PolarHBondContact O-N 2.66Å; Q11-S14 PolarHBondContact O-N 2.74Å; Q11-N15 WeakPolarHBondContact O-CB 3.45Å; Q11-N15 VanDerWaalsContact O-CG 3.23Å; Q11-N15 PolarHBondContact O-N 3.11Å; Q11-N15 PolarHBondContact O-OD1 2.73Å
12R95.1Very high91.6Very high182 Ų182106.3 Ų106.369%0.68753%0.534SS*.Hα-helixtrans-63.4-41.9175.9-73.8174.7-174-176.90.1112.3R8 F9 Q10 N15 L16R8-R12 WeakPolarHBondContact O-CG 3.29Å; R8-R12 PolarHBondContact O-N 3.39Å; R8-R12 VanDerWaalsContact O-N 3.08Å; F9-R12 PolarHBondContact O-N 2.95Å; F9-R12 VanDerWaalsContact O-N 3.16Å; Q10-R12 PolarHBondContact O-N 3.13Å; R12-N15 PolarHBondContact O-N 2.67Å; R12-L16 WeakPolarHBondContact O-CB 3.27Å; R12-L16 PolarHBondContact O-N 3.11Å
13I94.6Very high92.5Very high66 Ų66105 Ų10534%0.33852%0.523SS..Hα-helixtrans-62.9-48.6176.5-70.5176000110.5F9 Q10 N15 L16 Q17F9-I13 HydrophobicContact CD1-CD1 3.79Å; F9-I13 HydrophobicContact CE1-CD1 3.22Å; F9-I13 HydrophobicContact CE1-CG1 4.24Å; F9-I13 HydrophobicContact CE2-CD1 4.25Å; F9-I13 HydrophobicContact CZ-CD1 3.49Å; F9-I13 VanDerWaalsContact CZ-CD1 3.49Å; F9-I13 HydrophobicContact CZ-CG1 4.22Å; F9-I13 PolarHBondContact O-N 3.13Å; Q10-I13 PolarHBondContact O-N 2.82Å; I13-N15 VanDerWaalsContact C-N 3.33Å; I13-N15 PolarHBondContact O-N 2.93Å; I13-L16 PolarHBondContact O-N 3.3Å; I13-L16 VanDerWaalsContact O-N 3.15Å; I13-Q17 HydrophobicContact CG2-CG 4.26Å; I13-Q17 WeakPolarHBondContact O-CB 3.33Å; I13-Q17 WeakPolarHBondContact O-CG 3.25Å; I13-Q17 PolarHBondContact O-N 2.78Å
14S92.8Very high92.7Very high68 Ų68104.2 Ų104.248%0.47652%0.518SS..Hα-helixtrans-58.8-45178.8178.50000111.7Q10 Q11 L16 Q17 S18Q10-S14 PolarHBondContact O-N 2.82Å; Q11-S14 PolarHBondContact O-N 2.74Å; S14-L16 PolarHBondContact O-N 3.07Å; S14-Q17 PolarHBondContact O-N 2.62Å; S14-S18 PolarHBondContact O-N 3.21Å; S14-S18 PolarHBondContact O-OG 2.66Å
15N93.9Very high93Very high92 Ų92103.4 Ų103.449%0.49250%0.503SS..Hα-helixtrans-61.9-43.4175.7-71.7-2.9000111.8Q11 R12 I13 S18 H19Q11-N15 WeakPolarHBondContact O-CB 3.45Å; Q11-N15 VanDerWaalsContact O-CG 3.23Å; Q11-N15 PolarHBondContact O-N 3.11Å; Q11-N15 PolarHBondContact O-OD1 2.73Å; R12-N15 PolarHBondContact O-N 2.67Å; I13-N15 VanDerWaalsContact C-N 3.33Å; I13-N15 PolarHBondContact O-N 2.93Å; N15-S18 PolarHBondContact O-N 2.83Å; N15-S18 PolarHBondContact O-OG 2.89Å; N15-H19 WeakPolarHBondContact O-CB 3.4Å; N15-H19 PolarHBondContact O-N 3.49Å
16L95.2Very high93Very high122 Ų122100.8 Ų100.864%0.63949%0.486SS*.Hα-helixtrans-63.8-42178-17762.3000111.8R12 I13 S14 H19 H20R12-L16 WeakPolarHBondContact O-CB 3.27Å; R12-L16 PolarHBondContact O-N 3.11Å; I13-L16 PolarHBondContact O-N 3.3Å; I13-L16 VanDerWaalsContact O-N 3.15Å; S14-L16 PolarHBondContact O-N 3.07Å; L16-H19 PolarHBondContact O-N 2.83Å; L16-H20 WeakPolarHBondContact O-CB 3.36Å; L16-H20 PolarHBondContact O-N 2.86Å
17Q94.4Very high93.2Very high127 Ų127104.1 Ų104.159%0.59350%0.498SS*.Hα-helixtrans-61.7-47.3175.8-74.6174.9-35.300111I13 S14 H19 H20 E21I13-Q17 HydrophobicContact CG2-CG 4.26Å; I13-Q17 WeakPolarHBondContact O-CB 3.33Å; I13-Q17 WeakPolarHBondContact O-CG 3.25Å; I13-Q17 PolarHBondContact O-N 2.78Å; S14-Q17 PolarHBondContact O-N 2.62Å; Q17-H19 VanDerWaalsContact C-N 3.31Å; Q17-H19 PolarHBondContact O-N 2.95Å; Q17-H20 PolarHBondContact O-N 3.07Å; Q17-E21 PolarHBondContact O-N 3.25Å
18S93Very high93.3Very high64 Ų6498.2 Ų98.245%0.44848%0.477SS..Hα-helixtrans-61.8-38.4177.872.40000112.7S14 N15 L22S14-S18 PolarHBondContact O-N 3.21Å; S14-S18 PolarHBondContact O-OG 2.66Å; N15-S18 PolarHBondContact O-N 2.83Å; N15-S18 PolarHBondContact O-OG 2.89Å; S18-L22 WeakPolarHBondContact O-CB 3.27Å; S18-L22 PolarHBondContact O-N 3.21Å
19H94.4Very high93.3Very high125 Ų12595.7 Ų95.758%0.57947%0.472SS*.Hα-helixtrans-68.3-40.3175.2-173.4-82.2000112.1N15 L16 Q17 L22 A23N15-H19 WeakPolarHBondContact O-CB 3.4Å; N15-H19 PolarHBondContact O-N 3.49Å; L16-H19 PolarHBondContact O-N 2.83Å; Q17-H19 VanDerWaalsContact C-N 3.31Å; Q17-H19 PolarHBondContact O-N 2.95Å; H19-L22 PolarHBondContact O-N 3.19Å; H19-A23 WeakPolarHBondContact O-CB 3.5Å; H19-A23 PolarHBondContact O-N 3.2Å
20H94.5Very high93.1Very high127 Ų12792.4 Ų92.459%0.58847%0.469SS*.Hα-helixtrans-62.7-45.1175.7178.367.9000111.4L16 Q17 L22 A23 S24L16-H20 WeakPolarHBondContact O-CB 3.36Å; L16-H20 PolarHBondContact O-N 2.86Å; Q17-H20 PolarHBondContact O-N 3.07Å; H20-L22 PolarHBondContact O-N 3.15Å; H20-A23 PolarHBondContact O-N 2.95Å; H20-S24 PolarHBondContact O-N 2.84Å; H20-S24 PolarHBondContact O-OG 2.85Å; H20-S24 VanDerWaalsContact O-OG 3.06Å
21E93.4Very high93.1Very high119 Ų11990.2 Ų90.256%0.55646%0.463SS*.Hα-helixtrans-59-47.8176.1-174.8177.7-179.600111.7Q17 A23 S24 I25Q17-E21 PolarHBondContact O-N 3.25Å; E21-A23 VanDerWaalsContact C-N 3.35Å; E21-A23 PolarHBondContact O-N 3.01Å; E21-S24 WeakPolarHBondContact O-CB 3.28Å; E21-S24 PolarHBondContact O-N 3.1Å; E21-I25 HydrophobicContact CG-CD1 4.3Å; E21-I25 WeakPolarHBondContact O-CG1 3.49Å; E21-I25 PolarHBondContact O-N 2.89Å
22L93.7Very high93.1Very high78 Ų7888.8 Ų88.841%0.40846%0.463SS..Hα-helixtrans-62.9-40.1177.2-17861.6000112.5S18 H19 H20 S24 I25 R26S18-L22 WeakPolarHBondContact O-CB 3.27Å; S18-L22 PolarHBondContact O-N 3.21Å; H19-L22 PolarHBondContact O-N 3.19Å; H20-L22 PolarHBondContact O-N 3.15Å; L22-S24 VanDerWaalsContact C-N 3.34Å; L22-I25 PolarHBondContact O-N 3.18Å; L22-R26 VanDerWaalsContact O-CG 3.3Å; L22-R26 WeakPolarHBondContact O-CG 3.46Å; L22-R26 PolarHBondContact O-N 3.18Å
23A92.1Very high92.9Very high45 Ų4583.8 Ų83.837%0.37245%0.45SS..Hα-helixtrans-63.4-41.2176.200000111.6H19 H20 E21 R26 H27H19-A23 WeakPolarHBondContact O-CB 3.5Å; H19-A23 PolarHBondContact O-N 3.2Å; H20-A23 PolarHBondContact O-N 2.95Å; E21-A23 VanDerWaalsContact C-N 3.35Å; E21-A23 PolarHBondContact O-N 3.01Å; A23-R26 PolarHBondContact O-N 3.25Å; A23-H27 WeakPolarHBondContact O-CB 3.47Å; A23-H27 PolarHBondContact O-N 2.85Å
24S92.7Very high92.8Very high43 Ų4387.9 Ų87.930%0.30146%0.462SS..Hα-helixtrans-62.5-45.6176.3-64.30000111.7H20 E21 L22 R26 H27 C28H20-S24 PolarHBondContact O-N 2.84Å; H20-S24 PolarHBondContact O-OG 2.85Å; H20-S24 VanDerWaalsContact O-OG 3.06Å; E21-S24 WeakPolarHBondContact O-CB 3.28Å; E21-S24 PolarHBondContact O-N 3.1Å; L22-S24 VanDerWaalsContact C-N 3.34Å; S24-R26 PolarHBondContact O-N 3.12Å; S24-H27 PolarHBondContact O-N 2.92Å; S24-C28 PolarHBondContact O-N 3.43Å; S24-C28 PolarHBondContact O-SG 3.13Å
25I93.5Very high92.7Very high53 Ų5388.7 Ų88.727%0.27246%0.46SS..Hα-helixtrans-59-46.8176.2-67.1166000111E21 L22 H27 C28 E29 F341E21-I25 HydrophobicContact CG-CD1 4.3Å; E21-I25 WeakPolarHBondContact O-CG1 3.49Å; E21-I25 PolarHBondContact O-N 2.89Å; L22-I25 PolarHBondContact O-N 3.18Å; I25-H27 VanDerWaalsContact C-N 3.34Å; I25-H27 PolarHBondContact O-N 2.88Å; I25-C28 WeakPolarHBondContact O-CB 3.47Å; I25-C28 PolarHBondContact O-N 3.48Å; I25-E29 PolarHBondContact O-N 2.95Å; I25-F341 HydrophobicContact CG1-CD1 4.37Å; I25-F341 HydrophobicContact CG1-CE1 4.46Å; I25-F341 HydrophobicContact CG2-CD1 4.39Å; I25-F341 HydrophobicContact CG2-CE1 4.27Å
26R89.3Confident92.4Very high102 Ų10287 Ų8739%0.38546%0.456SS..Hα-helixtrans-63.1-40.6178.7-71.6172.8179.6-167.7-1.7112.4L22 A23 S24 E29 A30L22-R26 VanDerWaalsContact O-CG 3.3Å; L22-R26 WeakPolarHBondContact O-CG 3.46Å; L22-R26 PolarHBondContact O-N 3.18Å; A23-R26 PolarHBondContact O-N 3.25Å; S24-R26 PolarHBondContact O-N 3.12Å; R26-E29 PolarHBondContact O-N 3.34Å; R26-A30 WeakPolarHBondContact O-CB 3.47Å; R26-A30 PolarHBondContact O-N 3.35Å
27H92.9Very high92.3Very high132 Ų13287.8 Ų87.861%0.61146%0.456SS*.Hα-helixtrans-62.8-44.3176-178.7-90.2000110.9A23 S24 I25 E29 A30 V31A23-H27 WeakPolarHBondContact O-CB 3.47Å; A23-H27 PolarHBondContact O-N 2.85Å; S24-H27 PolarHBondContact O-N 2.92Å; I25-H27 VanDerWaalsContact C-N 3.34Å; I25-H27 PolarHBondContact O-N 2.88Å; H27-E29 PolarHBondContact O-N 2.79Å; H27-A30 PolarHBondContact O-N 3.01Å; H27-V31 WeakPolarHBondContact O-CG2 3.48Å; H27-V31 PolarHBondContact O-N 2.9Å
28C93.3Very high92.1Very high20 Ų2084.8 Ų84.814%0.13544%0.444CS..Hα-helixtrans-58.6-46.7175.1-67.20000113S24 I25 A30 V31 S32 F341 C346S24-C28 PolarHBondContact O-N 3.43Å; S24-C28 PolarHBondContact O-SG 3.13Å; I25-C28 WeakPolarHBondContact O-CB 3.47Å; I25-C28 PolarHBondContact O-N 3.48Å; C28-A30 VanDerWaalsContact C-N 3.34Å; C28-A30 PolarHBondContact O-N 3.36Å; C28-V31 PolarHBondContact O-N 2.91Å; C28-S32 WeakPolarHBondContact O-CB 3.36Å; C28-S32 PolarHBondContact O-N 2.97Å; C28-F341 HydrophobicContact CB-CE1 4.43Å; C28-F341 HydrophobicContact CB-CZ 4.19Å; C28-C346 HydrophobicContact CB-CB 3.99Å; C28-C346 WeakPolarHBondContact CB-SG 3.28Å; C28-C346 WeakPolarHBondContact SG-CB 3.47Å; C28-C346 CovalentContact SG-SG 2.01Å; C28-C346 PolarHBondContact SG-SG 3.11Å
29E91.5Very high92Very high113 Ų11385.8 Ų85.853%0.52845%0.445SS..Hα-helixtrans-61.6-43.9178.8-172.4-177.6174.800111.1I25 R26 H27 V31 S32 N33I25-E29 PolarHBondContact O-N 2.95Å; R26-E29 PolarHBondContact O-N 3.34Å; H27-E29 PolarHBondContact O-N 2.79Å; E29-V31 PolarHBondContact O-N 3.07Å; E29-S32 PolarHBondContact O-N 2.91Å; E29-N33 WeakPolarHBondContact O-CB 3.46Å; E29-N33 VanDerWaalsContact O-CG 3.25Å; E29-N33 PolarHBondContact O-N 2.89Å; E29-N33 PolarHBondContact O-ND2 3.46Å
30A89.4Confident91.8Very high59 Ų5985 Ų8549%0.48844%0.441SS..Hα-helixtrans-61.3-43.6176.500000112.3R26 H27 C28 N33 Y34R26-A30 WeakPolarHBondContact O-CB 3.47Å; R26-A30 PolarHBondContact O-N 3.35Å; H27-A30 PolarHBondContact O-N 3.01Å; C28-A30 VanDerWaalsContact C-N 3.34Å; C28-A30 PolarHBondContact O-N 3.36Å; A30-N33 PolarHBondContact O-N 2.9Å; A30-Y34 WeakPolarHBondContact O-CB 3.3Å; A30-Y34 PolarHBondContact O-N 3.5Å
31V93Very high91.7Very high61 Ų6184.5 Ų84.537%0.3744%0.442SS..Hα-helixtrans-64.5-45.7177170.70000111.1H27 C28 E29 N33 Y34 I35H27-V31 WeakPolarHBondContact O-CG2 3.48Å; H27-V31 PolarHBondContact O-N 2.9Å; C28-V31 PolarHBondContact O-N 2.91Å; E29-V31 PolarHBondContact O-N 3.07Å; V31-N33 VanDerWaalsContact C-N 3.34Å; V31-N33 PolarHBondContact O-N 2.96Å; V31-Y34 PolarHBondContact O-N 3.09Å; V31-I35 HydrophobicContact CG1-CD1 3.74Å; V31-I35 HydrophobicContact CG1-CG1 4.42Å; V31-I35 VanDerWaalsContact O-CG1 3.3Å; V31-I35 WeakPolarHBondContact O-CG1 3.1Å; V31-I35 PolarHBondContact O-N 3.4Å
32S92.3Very high91.6Very high66 Ų6682.8 Ų82.846%0.46244%0.435SS..Hα-helixtrans-61.2-42.8177.9-175.30000112.1C28 E29 I35 S36C28-S32 WeakPolarHBondContact O-CB 3.36Å; C28-S32 PolarHBondContact O-N 2.97Å; E29-S32 PolarHBondContact O-N 2.91Å; S32-I35 PolarHBondContact O-N 3.42Å; S32-S36 WeakPolarHBondContact O-CB 3.4Å; S32-S36 PolarHBondContact O-N 3.24Å; S32-S36 PolarHBondContact O-OG 3.44Å
33N91.2Very high91.5Very high77 Ų7784.9 Ų84.941%0.41244%0.441SS..Hα-helixtrans-63.8-43.7175.6-75.5-22.6000111.6E29 A30 V31 S36 Q37E29-N33 WeakPolarHBondContact O-CB 3.46Å; E29-N33 VanDerWaalsContact O-CG 3.25Å; E29-N33 PolarHBondContact O-N 2.89Å; E29-N33 PolarHBondContact O-ND2 3.46Å; A30-N33 PolarHBondContact O-N 2.9Å; V31-N33 VanDerWaalsContact C-N 3.34Å; V31-N33 PolarHBondContact O-N 2.96Å; N33-S36 PolarHBondContact O-N 2.82Å; N33-Q37 WeakPolarHBondContact O-CB 3.35Å; N33-Q37 VanDerWaalsContact O-CG 3.28Å; N33-Q37 WeakPolarHBondContact O-CG 3.47Å; N33-Q37 PolarHBondContact O-N 3.36Å
34Y92.4Very high91.3Very high152 Ų15286.6 Ų86.660%0.59645%0.45SS*.Hα-helixtrans-61.1-47.3176.5177.5-97.4000112A30 V31 S36 Q37 N38A30-Y34 WeakPolarHBondContact O-CB 3.3Å; A30-Y34 PolarHBondContact O-N 3.5Å; V31-Y34 PolarHBondContact O-N 3.09Å; Y34-S36 VanDerWaalsContact C-N 3.33Å; Y34-S36 PolarHBondContact O-N 3.39Å; Y34-Q37 PolarHBondContact O-N 3.02Å; Y34-N38 VanDerWaalsContact O-CB 3.3Å; Y34-N38 WeakPolarHBondContact O-CB 3.35Å; Y34-N38 PolarHBondContact O-N 3.17Å
35I90.2Very high91.2Very high85 Ų8588.4 Ų88.444%0.43646%0.456SS..Hα-helixtrans-59.9-45.5177.2-68.8167.4000110.4V31 S32 N38 N39V31-I35 HydrophobicContact CG1-CD1 3.74Å; V31-I35 HydrophobicContact CG1-CG1 4.42Å; V31-I35 VanDerWaalsContact O-CG1 3.3Å; V31-I35 WeakPolarHBondContact O-CG1 3.1Å; V31-I35 PolarHBondContact O-N 3.4Å; S32-I35 PolarHBondContact O-N 3.42Å; I35-N38 PolarHBondContact O-N 3.4Å; I35-N39 WeakPolarHBondContact O-CB 3.44Å; I35-N39 PolarHBondContact O-N 2.9Å; I35-N39 PolarHBondContact O-ND2 2.83Å
36S89.2Confident91Very high58 Ų5890.1 Ų90.141%0.40647%0.466SS..Hα-helixtrans-63.1-46.4179.9-61.10000111.9S32 N33 Y34 N38 N39 E40S32-S36 WeakPolarHBondContact O-CB 3.4Å; S32-S36 PolarHBondContact O-N 3.24Å; S32-S36 PolarHBondContact O-OG 3.44Å; N33-S36 PolarHBondContact O-N 2.82Å; Y34-S36 VanDerWaalsContact C-N 3.33Å; Y34-S36 PolarHBondContact O-N 3.39Å; S36-N38 PolarHBondContact O-N 3.12Å; S36-N39 PolarHBondContact O-N 2.95Å; S36-E40 WeakPolarHBondContact O-CG 3.3Å; S36-E40 PolarHBondContact O-N 2.94Å
37Q91.4Very high90.9Very high137 Ų13788.2 Ų88.264%0.6447%0.472SS*.Hα-helixtrans-63.4-41.4177.2-73.41778.100112.2N33 Y34 E40 L41N33-Q37 WeakPolarHBondContact O-CB 3.35Å; N33-Q37 VanDerWaalsContact O-CG 3.28Å; N33-Q37 WeakPolarHBondContact O-CG 3.47Å; N33-Q37 PolarHBondContact O-N 3.36Å; Y34-Q37 PolarHBondContact O-N 3.02Å; Q37-E40 PolarHBondContact O-N 2.76Å; Q37-L41 WeakPolarHBondContact O-CB 3.02Å; Q37-L41 PolarHBondContact O-N 3.39Å
38N91Very high90.4Very high64 Ų6488.8 Ų88.834%0.34247%0.474SS..Hα-helixtrans-64.2-43.8177-166.5-25.6000111Y34 I35 S36 E40 L41 M42Y34-N38 VanDerWaalsContact O-CB 3.3Å; Y34-N38 WeakPolarHBondContact O-CB 3.35Å; Y34-N38 PolarHBondContact O-N 3.17Å; I35-N38 PolarHBondContact O-N 3.4Å; S36-N38 PolarHBondContact O-N 3.12Å; N38-E40 PolarHBondContact O-N 3.37Å; N38-L41 WeakPolarHBondContact O-CB 3.28Å; N38-L41 PolarHBondContact O-N 2.91Å; N38-M42 WeakPolarHBondContact O-CB 3.5Å; N38-M42 WeakPolarHBondContact O-CG 3.42Å; N38-M42 PolarHBondContact O-N 2.87Å
39N90.9Very high89.9Confident85 Ų8593.9 Ų93.946%0.45550%0.499SS..Hα-helixtrans-60.8-42.2175.3-78.2-26000112.6I35 S36 M42 K43I35-N39 WeakPolarHBondContact O-CB 3.44Å; I35-N39 PolarHBondContact O-N 2.9Å; I35-N39 PolarHBondContact O-ND2 2.83Å; S36-N39 PolarHBondContact O-N 2.95Å; N39-M42 PolarHBondContact O-N 3.49Å; N39-K43 WeakPolarHBondContact O-CB 3.4Å; N39-K43 VanDerWaalsContact O-CG 3.28Å; N39-K43 WeakPolarHBondContact O-CG 2.94Å; N39-K43 PolarHBondContact O-N 3.42Å
40E90.6Very high89.5Confident109 Ų10996.1 Ų96.151%0.50951%0.507SS..Hα-helixtrans-66.3-39.5175.7-71.4-54.612600112.3S36 Q37 N38 K43 S44S36-E40 WeakPolarHBondContact O-CG 3.3Å; S36-E40 PolarHBondContact O-N 2.94Å; Q37-E40 PolarHBondContact O-N 2.76Å; N38-E40 PolarHBondContact O-N 3.37Å; E40-K43 PolarHBondContact O-N 2.99Å; E40-K43 IonicContact OE1-NZ 2.76Å; E40-K43 PolarHBondContact OE1-NZ 3.34Å; E40-S44 WeakPolarHBondContact O-CB 3.39Å; E40-S44 PolarHBondContact O-N 2.85Å
41L92Very high88.8Confident116 Ų11695.6 Ų95.661%0.60750%0.503SS*.Hα-helixtrans-60.7-47173.1-174.5108.4000111.2Q37 N38 K43 S44 L45Q37-L41 WeakPolarHBondContact O-CB 3.02Å; Q37-L41 PolarHBondContact O-N 3.39Å; N38-L41 WeakPolarHBondContact O-CB 3.28Å; N38-L41 PolarHBondContact O-N 2.91Å; L41-K43 PolarHBondContact O-N 3.37Å; L41-S44 WeakPolarHBondContact O-CB 3.46Å; L41-S44 PolarHBondContact O-N 3.49Å; L41-L45 WeakPolarHBondContact O-CB 3.34Å; L41-L45 PolarHBondContact O-N 3.23Å
42M91.2Very high87.7Confident83 Ų8397.1 Ų97.141%0.40952%0.515SS..Hα-helixtrans-64.2-40.4178.5-72.8-57.7-62.900112.1N38 N39 L45 L46N38-M42 WeakPolarHBondContact O-CB 3.5Å; N38-M42 WeakPolarHBondContact O-CG 3.42Å; N38-M42 PolarHBondContact O-N 2.87Å; N39-M42 PolarHBondContact O-N 3.49Å; M42-L45 PolarHBondContact O-N 2.93Å; M42-L45 HydrophobicContact SD-CD2 4.42Å; M42-L46 WeakPolarHBondContact O-CB 3.33Å; M42-L46 VanDerWaalsContact O-CG 3.27Å; M42-L46 WeakPolarHBondContact O-CG 3.42Å; M42-L46 PolarHBondContact O-N 2.79Å
43K91Very high86.4Confident123 Ų123101.8 Ų101.854%0.53553%0.534SS..Hα-helixtrans-62.1-43.8172.8-74.4174.1-168.3168.50111.8N39 E40 L41 L46 A47N39-K43 WeakPolarHBondContact O-CB 3.4Å; N39-K43 VanDerWaalsContact O-CG 3.28Å; N39-K43 WeakPolarHBondContact O-CG 2.94Å; N39-K43 PolarHBondContact O-N 3.42Å; E40-K43 PolarHBondContact O-N 2.99Å; E40-K43 IonicContact OE1-NZ 2.76Å; E40-K43 PolarHBondContact OE1-NZ 3.34Å; L41-K43 PolarHBondContact O-N 3.37Å; K43-L46 PolarHBondContact O-N 3.36Å; K43-A47 WeakPolarHBondContact O-CB 3.28Å; K43-A47 PolarHBondContact O-N 2.91Å
44S89.4Confident84.9Confident80 Ų80106.7 Ų106.756%0.55955%0.552SS**Hα-helixtrans-61.9-45.1177.2-1770000111.5E40 L41 A47 H48E40-S44 WeakPolarHBondContact O-CB 3.39Å; E40-S44 PolarHBondContact O-N 2.85Å; L41-S44 WeakPolarHBondContact O-CB 3.46Å; L41-S44 PolarHBondContact O-N 3.49Å; S44-A47 PolarHBondContact O-N 3.29Å; S44-H48 WeakPolarHBondContact O-CB 3.43Å; S44-H48 PolarHBondContact O-N 3.16Å
45L90.9Very high83Confident82 Ų82103.6 Ų103.643%0.42955%0.552SS.*Hα-helixtrans-60.7-46.9175.4-177.166.9000111.4L41 M42 A47 H48 L49L41-L45 WeakPolarHBondContact O-CB 3.34Å; L41-L45 PolarHBondContact O-N 3.23Å; M42-L45 PolarHBondContact O-N 2.93Å; M42-L45 HydrophobicContact SD-CD2 4.42Å; L45-A47 VanDerWaalsContact C-N 3.32Å; L45-A47 PolarHBondContact O-N 2.85Å; L45-H48 WeakPolarHBondContact O-CB 2.86Å; L45-H48 PolarHBondContact O-N 2.89Å; L45-L49 HydrophobicContact CG-CD1 4.15Å; L45-L49 WeakPolarHBondContact O-CG 3.38Å; L45-L49 PolarHBondContact O-N 2.93Å
46L88.2Confident81.4Confident89 Ų89106.1 Ų106.147%0.46657%0.572SS.*Hα-helixtrans-62.4-38.9176.6-74.6169.8000112.1M42 K43 H48 L49 K50M42-L46 WeakPolarHBondContact O-CB 3.33Å; M42-L46 VanDerWaalsContact O-CG 3.27Å; M42-L46 WeakPolarHBondContact O-CG 3.42Å; M42-L46 PolarHBondContact O-N 2.79Å; K43-L46 PolarHBondContact O-N 3.36Å; L46-H48 VanDerWaalsContact C-N 3.34Å; L46-L49 PolarHBondContact O-N 2.93Å; L46-K50 VanDerWaalsContact O-CB 3.26Å; L46-K50 WeakPolarHBondContact O-CB 3.4Å; L46-K50 VanDerWaalsContact O-CG 3.24Å; L46-K50 WeakPolarHBondContact O-CG 3.28Å; L46-K50 PolarHBondContact O-N 3.44Å
47A86.4Confident80Confident62 Ų62111.9 Ų111.951%0.51259%0.589SS.*Hα-helixtrans-65.4-38.3174.900000111.7K43 S44 L45 K50 A51K43-A47 WeakPolarHBondContact O-CB 3.28Å; K43-A47 PolarHBondContact O-N 2.91Å; S44-A47 PolarHBondContact O-N 3.29Å; L45-A47 VanDerWaalsContact C-N 3.32Å; L45-A47 PolarHBondContact O-N 2.85Å; A47-K50 PolarHBondContact O-N 3.35Å; A47-A51 PolarHBondContact O-N 3.44Å
48H82.8Confident78.3Confident144 Ų144116.2 Ų116.267%0.66760%0.6SS**Hα-helixtrans-67.3-42.4175.8-169.673.8000112.1S44 L45 L46 A51S44-H48 WeakPolarHBondContact O-CB 3.43Å; S44-H48 PolarHBondContact O-N 3.16Å; L45-H48 WeakPolarHBondContact O-CB 2.86Å; L45-H48 PolarHBondContact O-N 2.89Å; L46-H48 VanDerWaalsContact C-N 3.34Å; H48-A51 VanDerWaalsContact O-CB 3.27Å; H48-A51 WeakPolarHBondContact O-CB 3.29Å; H48-A51 PolarHBondContact O-N 2.92Å
49L83.5Confident76.6Confident126 Ų126119.4 Ų119.466%0.6662%0.622SS**Hα-helixtrans-70-32176.3-67.4172.8000112.8L45 L46 A51L45-L49 HydrophobicContact CG-CD1 4.15Å; L45-L49 WeakPolarHBondContact O-CG 3.38Å; L45-L49 PolarHBondContact O-N 2.93Å; L46-L49 PolarHBondContact O-N 2.93Å; L49-A51 VanDerWaalsContact C-N 3.32Å
50K81.8Confident75.1Confident160 Ų160124 Ų12470%0.69664%0.638SS**Hα-helixtrans-77.1-18.8173-76.8179.2-179.5-179.40112.9L46 A47 P52L46-K50 VanDerWaalsContact O-CB 3.26Å; L46-K50 WeakPolarHBondContact O-CB 3.4Å; L46-K50 VanDerWaalsContact O-CG 3.24Å; L46-K50 WeakPolarHBondContact O-CG 3.28Å; L46-K50 PolarHBondContact O-N 3.44Å; A47-K50 PolarHBondContact O-N 3.35Å; K50-P52 WeakPolarHBondContact O-CD 3.4Å; K50-P52 VanDerWaalsContact O-N 3.12Å
51A75.2Confident73.5Confident49 Ų49129.9 Ų129.941%0.40566%0.655SS.*SBendtrans-59122.4174.600000106.5A47 H48 L49 D53A47-A51 PolarHBondContact O-N 3.44Å; H48-A51 VanDerWaalsContact O-CB 3.27Å; H48-A51 WeakPolarHBondContact O-CB 3.29Å; H48-A51 PolarHBondContact O-N 2.92Å; L49-A51 VanDerWaalsContact C-N 3.32Å; A51-D53 PolarHBondContact O-N 2.84Å; A51-D53 VanDerWaalsContact O-N 3.15Å
52P71Confident71.9Confident93 Ų93131.6 Ų131.660%0.60466%0.663SS**  trans-55.3132.117622.8-31.4000106.2K50 K54K50-P52 WeakPolarHBondContact O-CD 3.4Å; K50-P52 VanDerWaalsContact O-N 3.12Å; P52-K54 HydrophobicContact CG-CG 4.37Å; P52-K54 WeakPolarHBondContact O-CG 3.5Å; P52-K54 PolarHBondContact O-N 3.45Å
53D63.5Low70.1Confident164 Ų164133.6 Ų133.688%0.87768%0.681SS**  trans-52.492.7163.2-89.3-34000105.3A51 S55A51-D53 PolarHBondContact O-N 2.84Å; A51-D53 VanDerWaalsContact O-N 3.15Å; D53-S55 PolarHBondContact O-N 2.9Å
54K60Low68.4Low180 Ų180136.4 Ų136.478%0.78369%0.693SS**  trans-69.987.6-178.4-74.8-174.9-175177.20103.5P52 V56P52-K54 HydrophobicContact CG-CG 4.37Å; P52-K54 WeakPolarHBondContact O-CG 3.5Å; P52-K54 PolarHBondContact O-N 3.45Å; K54-V56 PolarHBondContact O-N 3.25Å; K54-V56 VanDerWaalsContact O-N 3.11Å
55S52.2Low66.6Low86 Ų86137.4 Ų137.460%0.60170%0.697SS**  trans18.986.8165.860.20000110.3D53 K57D53-S55 PolarHBondContact O-N 2.9Å; S55-K57 PolarHBondContact O-N 3.39Å
56V57.4Low64.5Low139 Ų139145 Ų14584%0.84272%0.72SS**  trans-53.597.3151.3178.80000102.5K54 R58K54-V56 PolarHBondContact O-N 3.25Å; K54-V56 VanDerWaalsContact O-N 3.11Å; V56-R58 PolarHBondContact O-N 3.43Å
57K59.2Low62.6Low178 Ų178146.1 Ų146.177%0.77473%0.731SS**  trans-56.6103-179.5-83.1179.6178.9174.50102.3S55 T59S55-K57 PolarHBondContact O-N 3.39Å; K57-T59 VanDerWaalsContact C-N 3.27Å; K57-T59 PolarHBondContact O-N 2.92Å
58R57Low60.9Low229 Ų229149 Ų14986%0.86474%0.742SS**  trans-51105.7175.6-170.8176.9-172.5131.9-1103.1V56 K60V56-R58 PolarHBondContact O-N 3.43Å; R58-K60 PolarHBondContact O-N 2.76Å
59T53.7Low58.8Low130 Ų130150 Ų15080%0.79875%0.747SS**  trans-58.397-178.7-61.90000103.8K57 R61K57-T59 VanDerWaalsContact C-N 3.27Å; K57-T59 PolarHBondContact O-N 2.92Å; T59-R61 VanDerWaalsContact C-N 3.29Å; T59-R61 PolarHBondContact O-N 2.78Å
60K60.5Low57.2Low182 Ų182149.1 Ų149.179%0.79175%0.749SS**  trans-61.1108175.5-73-172.8179.9-177.90101.9R58 I62R58-K60 PolarHBondContact O-N 2.76Å; K60-I62 VanDerWaalsContact C-N 3.33Å; K60-I62 PolarHBondContact O-N 2.73Å
61R55.8Low55.3Low232 Ų232150.3 Ų150.388%0.87576%0.757SS**  trans-44.9109.1170.9-141.2178.8177.4-158-0.2104T59 T63T59-R61 VanDerWaalsContact C-N 3.29Å; T59-R61 PolarHBondContact O-N 2.78Å; R61-T63 PolarHBondContact O-N 2.73Å
62I58.8Low53.7Low152 Ų152155.2 Ų155.278%0.77978%0.775SS**  trans-68.890.1-177.8-58.2172.4000103.5K60 K64K60-I62 VanDerWaalsContact C-N 3.33Å; K60-I62 PolarHBondContact O-N 2.73Å; I62-K64 PolarHBondContact O-N 3.12Å
63T53.2Low52.3Low126 Ų126155.6 Ų155.677%0.77379%0.786SS**  trans-61.798165.4-52.30000103.6R61 P65R61-T63 PolarHBondContact O-N 2.73Å; T63-P65 VanDerWaalsContact O-CD 3.27Å; T63-P65 WeakPolarHBondContact O-CD 3.3Å
64K55.4Low51.2Low181 Ų181156.6 Ų156.679%0.78778%0.783SS**  trans-50.9116.9175.9-70.1-175.2178.2-178.40106.1I62 R66I62-K64 PolarHBondContact O-N 3.12Å; K64-R66 PolarHBondContact O-N 3.4Å; K64-R66 VanDerWaalsContact O-N 3.14Å
65P51.9Low49.9Very low101 Ų101153.6 Ų153.666%0.65679%0.785SS**  trans-58.2126.6173.523-30.2000106.1T63 T67T63-P65 VanDerWaalsContact O-CD 3.27Å; T63-P65 WeakPolarHBondContact O-CD 3.3Å; P65-T67 PolarHBondContact O-N 3.47Å
66R47.9Very low49.3Very low241 Ų241153.3 Ų153.391%0.90978%0.783SS**  trans-62.288.2171.5-175.2176.8-175.8150.9-0.4105.8K64 T68K64-R66 PolarHBondContact O-N 3.4Å; K64-R66 VanDerWaalsContact O-N 3.14Å; R66-T68 PolarHBondContact O-N 2.83Å
67T47.5Very low48.3Very low113 Ų113158.6 Ų158.669%0.69379%0.788SS**  trans-65.6101.9178.942.20000106.7P65 H69P65-T67 PolarHBondContact O-N 3.47Å; T67-H69 PolarHBondContact O-N 3.2Å
68T50.3Low47.4Very low123 Ų123158.9 Ų158.976%0.75579%0.789SS**  trans-6093162.446.20000107R66 P70R66-T68 PolarHBondContact O-N 2.83Å; T68-P70 WeakPolarHBondContact O-CD 3.32Å
69H39.7Very low46.4Very low165 Ų165152.9 Ų152.976%0.76478%0.783SS**  trans8.281159.1-145.1-44.7000115.4T67T67-H69 PolarHBondContact O-N 3.2Å
70P48.8Very low45.7Very low108 Ų108150.9 Ų150.970%0.70178%0.779SS**  trans-78.3132.2166.2-5.724.9000107.5T68T68-P70 WeakPolarHBondContact O-CD 3.32Å
71Q42.2Very low44.7Very low184 Ų184149.9 Ų149.986%0.8678%0.775SS**  trans-50.7146.8-176.4-69.4174.4-33.300113.3A73Q71-A73 PolarHBondContact O-N 2.97Å
72L41.7Very low43.8Very low152 Ų152144.2 Ų144.280%0.79677%0.771SS**  trans-50.686.8172.7-64.8154000112.3K74L72-K74 PolarHBondContact O-N 3.04Å
73A41.3Very low42.8Very low101 Ų101146.3 Ų146.384%0.83577%0.77SS**  trans-79.294.6155.700000107.8Q71Q71-A73 PolarHBondContact O-N 2.97Å
74K39.7Very low42Very low185 Ų185144.9 Ų144.980%0.80477%0.771SS**  trans-61.4148166.6-65.1169.9178.3174.60109.1L72L72-K74 PolarHBondContact O-N 3.04Å
75S33.9Very low41.2Very low118 Ų118142.7 Ų142.783%0.82577%0.773SS**  trans80.1129.3170.1-159.20000113.7
76S40.1Very low40.4Very low80 Ų80146.8 Ų146.856%0.55978%0.784SS**  cis-149.8141.131.2172.40000109.8F78S76-F78 PolarHBondContact O-N 2.93Å; S76-F78 WeakPolarHBondContact OG-CD2 3.42Å
77R36.4Very low40Very low249 Ų249140 Ų14094%0.9477%0.773SS**  trans-6789.5171.2-70.2174.8-179.3166.5-0.9109.2
78F39.8Very low39.4Very low185 Ų185141 Ų14181%0.81178%0.779SS**  trans-104.891.8159.2-86.1-77.5000109.8S76 A80S76-F78 PolarHBondContact O-N 2.93Å; S76-F78 WeakPolarHBondContact OG-CD2 3.42Å; F78-A80 PolarHBondContact O-N 2.81Å; F78-A80 VanDerWaalsContact O-N 3.11Å
79S35.2Very low38.9Very low103 Ų103141.4 Ų141.472%0.7278%0.781SS**  trans-63.294.2159.8160.50000108.5
80A39.2Very low38.6Very low88 Ų88141 Ų14173%0.72778%0.78SS**  trans-111.890.7159.800000107.6F78 S82F78-A80 PolarHBondContact O-N 2.81Å; F78-A80 VanDerWaalsContact O-N 3.11Å; A80-S82 PolarHBondContact O-N 3.45Å
81K39.1Very low37.8Very low161 Ų161145.4 Ų145.470%0.779%0.791SS**  trans-62.889.4161.3-66.9173179.2177.90106.8Y83K81-Y83 HydrophobicContact CB-CE2 4.27Å; K81-Y83 VanDerWaalsContact O-CD2 3.25Å; K81-Y83 WeakPolarHBondContact O-CD2 3.36Å; K81-Y83 PolarHBondContact O-N 2.99Å
82S38.4Very low37.4Very low113 Ų113143.2 Ų143.279%0.7978%0.784SS**  trans-7899.9166.356.40000107.1A80 A84A80-S82 PolarHBondContact O-N 3.45Å; S82-A84 PolarHBondContact O-N 3.17Å
83Y37.4Very low36.9Very low195 Ų195141.7 Ų141.777%0.76578%0.777SS**  trans-51.4118.1173.4-67.6-96.8000109.1K81 T85K81-Y83 HydrophobicContact CB-CE2 4.27Å; K81-Y83 VanDerWaalsContact O-CD2 3.25Å; K81-Y83 WeakPolarHBondContact O-CD2 3.36Å; K81-Y83 PolarHBondContact O-N 2.99Å; Y83-T85 PolarHBondContact O-N 3.34Å
84A36.9Very low36.6Very low96 Ų96141.2 Ų141.279%0.79377%0.773SS**  trans-61.1108.416400000106.5S82 Q86S82-A84 PolarHBondContact O-N 3.17Å; A84-Q86 PolarHBondContact O-N 3.08Å
85T37.1Very low36.5Very low135 Ų135138.3 Ų138.383%0.82877%0.765SS**  trans-59.4104.6171.542.90000107.5Y83 S87Y83-T85 PolarHBondContact O-N 3.34Å; T85-S87 PolarHBondContact O-N 3.39Å
86Q36.5Very low36.4Very low188 Ų188139.5 Ų139.588%0.87976%0.757SS**  trans-58.5102.3165.3-75.4177.1-1600106.6A84 T88A84-Q86 PolarHBondContact O-N 3.08Å; Q86-T88 PolarHBondContact O-N 3.22Å; Q86-T88 VanDerWaalsContact O-N 3.13Å
87S38.7Very low36.1Very low98 Ų98144.2 Ų144.269%0.68577%0.77SS**  trans-68.1111.9165.164.30000106.3T85 V89T85-S87 PolarHBondContact O-N 3.39Å; S87-V89 VanDerWaalsContact C-N 3.27Å; S87-V89 PolarHBondContact O-N 2.91Å
88T34.8Very low35.9Very low134 Ų134139.6 Ų139.682%0.82276%0.759SS**  trans-46.389163.444.10000109.8Q86 E90Q86-T88 PolarHBondContact O-N 3.22Å; Q86-T88 VanDerWaalsContact O-N 3.13Å; T88-E90 PolarHBondContact O-N 3.32Å
89V40.5Very low35.6Very low131 Ų131135.7 Ų135.779%0.79475%0.754SS**  trans-80.9108.3158179.90000104.2S87 Q91S87-V89 VanDerWaalsContact C-N 3.27Å; S87-V89 PolarHBondContact O-N 2.91Å; V89-Q91 PolarHBondContact O-N 3.49Å
90E34Very low35.6Very low158 Ų158138 Ų13874%0.73876%0.758SS**  trans-45.2130.2-179.8-70.9171.5147.300110.7T88 L92T88-E90 PolarHBondContact O-N 3.32Å; E90-L92 PolarHBondContact O-N 2.91Å
91Q31.8Very low35.5Very low199 Ų199138.9 Ų138.993%0.9376%0.759SS**  trans-69.460.5176.8-160.9172.610.500109V89 N93V89-Q91 PolarHBondContact O-N 3.49Å; Q91-N93 PolarHBondContact O-N 3.47Å
92L33Very low35.2Very low139 Ų139141.5 Ų141.573%0.72876%0.764SS**  trans-83.5112.2173.2-82.8166.9000108.1E90E90-L92 PolarHBondContact O-N 2.91Å
93N31.9Very low34.9Very low120 Ų120143.9 Ų143.964%0.64276%0.763SS**  trans68.377.8162.4-73.3-7.8000115.3Q91 I95Q91-N93 PolarHBondContact O-N 3.47Å; N93-I95 HydrophobicContact CB-CD1 3.88Å; N93-I95 HydrophobicContact CB-CG1 3.85Å; N93-I95 PolarHBondContact O-N 2.98Å
94A33.5Very low34.8Very low91 Ų91138.1 Ų138.175%0.75275%0.748SS**  trans-5666.8130.200000109.6H96A94-H96 PolarHBondContact O-N 3.37Å
95I38.1Very low34.9Very low123 Ų123139.6 Ų139.663%0.63174%0.743SS**  trans-65.4104.8155.4-73.5156.3000102.7N93 H97N93-I95 HydrophobicContact CB-CD1 3.88Å; N93-I95 HydrophobicContact CB-CG1 3.85Å; N93-I95 PolarHBondContact O-N 2.98Å; I95-H97 VanDerWaalsContact C-N 3.29Å; I95-H97 PolarHBondContact O-N 3.33Å
96H32.6Very low34.7Very low144 Ų144141.3 Ų141.367%0.66774%0.739SS**  trans-39.299.8168.4-78.6-91.4000108.2A94 H98A94-H96 PolarHBondContact O-N 3.37Å; H96-H98 PolarHBondContact O-N 3.47Å
97H32.7Very low34.7Very low179 Ų179138.1 Ų138.183%0.82973%0.732SS**  trans-57.890.2145.4-71.6-75000103.4I95 S99I95-H97 VanDerWaalsContact C-N 3.29Å; I95-H97 PolarHBondContact O-N 3.33Å; H97-S99 PolarHBondContact O-N 3.33Å
98H34.1Very low34.4Very low151 Ų151139.9 Ų139.970%0.69973%0.734SS**  trans-57.385142.8-64.2-72.2000103.6H96 L100H96-H98 PolarHBondContact O-N 3.47Å; H98-L100 PolarHBondContact O-N 2.98Å
99S32.8Very low34.5Very low103 Ų103141.4 Ų141.472%0.7273%0.732SS**  trans-46.285.7144.346.40000104.8H97 S101H97-S99 PolarHBondContact O-N 3.33Å; S99-S101 VanDerWaalsContact C-N 3.31Å; S99-S101 PolarHBondContact O-N 2.96Å
100L35Very low34Very low151 Ų151140.9 Ų140.979%0.79173%0.733SS**  trans-45.2115151-88.4104.2000103H98 R102H98-L100 PolarHBondContact O-N 2.98Å; L100-R102 PolarHBondContact O-N 3.02Å
101S36.5Very low33.8Very low108 Ų108140.2 Ų140.276%0.75573%0.733SS**  trans-44.6103.6169.649.90000105.2S99 Q103S99-S101 VanDerWaalsContact C-N 3.31Å; S99-S101 PolarHBondContact O-N 2.96Å; S101-Q103 PolarHBondContact O-N 2.76Å
102R33.2Very low34Very low216 Ų216135.8 Ų135.882%0.81572%0.722SS**  trans-59.2100.1174.7-87.6-175.4174.9-166.4-1.2103.8L100 T104L100-R102 PolarHBondContact O-N 3.02Å; R102-T104 HydrophobicContact CB-CG2 3.96Å; R102-T104 HydrophobicContact CG-CG2 4.37Å; R102-T104 PolarHBondContact O-N 2.72Å; R102-T104 PolarHBondContact O-OG1 2.74Å
103Q31.7Very low34.1Very low162 Ų162138.8 Ų138.876%0.75773%0.732SS**  trans-70.466.3160.2-160.8176.711.400105.1S101 D105S101-Q103 PolarHBondContact O-N 2.76Å; Q103-D105 PolarHBondContact O-N 3.25Å
104T36.6Very low34.3Very low75 Ų75140.6 Ų140.646%0.4674%0.737SS.*  trans-85.823.917428.60000110.9R102 F106R102-T104 HydrophobicContact CB-CG2 3.96Å; R102-T104 HydrophobicContact CG-CG2 4.37Å; R102-T104 PolarHBondContact O-N 2.72Å; R102-T104 PolarHBondContact O-OG1 2.74Å; T104-F106 VanDerWaalsContact C-N 3.3Å; T104-F106 PolarHBondContact O-N 2.95Å
105D38.3Very low34.3Very low127 Ų127141.6 Ų141.668%0.67973%0.734SS**SBendtrans-82.4-5.4179.8-69.5-19.7000113.3Q103Q103-D105 PolarHBondContact O-N 3.25Å
106F32.7Very low34.1Very low170 Ų170147.8 Ų147.875%0.74675%0.749SS**SBendtrans-113-3.3-175.6-82.5-78.6000116.8T104T104-F106 VanDerWaalsContact C-N 3.3Å; T104-F106 PolarHBondContact O-N 2.95Å
107V37.2Very low33.9Very low122 Ų122146.8 Ų146.874%0.73975%0.749SS**SBendtrans-102.6-9.4-178.2-173.70000113.3
108N32Very low33.6Very low135 Ų135145 Ų14572%0.72275%0.746SS**SBendtrans-95.76.8-179.4-73.9-16.1000115.3
109Q35.5Very low33.5Very low166 Ų166148 Ų14878%0.77676%0.757SS**SBendtrans-98.17.6-177.9-87.8-174.91200116.1
110C31Very low33.3Very low120 Ų120146.7 Ų146.781%0.81176%0.76SS**  trans-132.425.9178.9-62.50000114.7P112C110-P112 WeakPolarHBondContact O-CD 3.49Å
111L30.8Very low33Very low144 Ų144145.8 Ų145.875%0.75476%0.761SS**SBendtrans-89.3116.5159.1-82.9165.6000107.9E113L111-E113 PolarHBondContact O-N 2.65Å
112P34.9Very low32.6Very low106 Ų106146.2 Ų146.269%0.68876%0.76SS**  trans-60.6115.3177.323.6-30.6000108.5C110 E114C110-P112 WeakPolarHBondContact O-CD 3.49Å; P112-E114 PolarHBondContact O-N 2.85Å
113E36Very low32.7Very low202 Ų202142.3 Ų142.394%0.94476%0.761SS**  trans-66.671.4168.4-79.4-174.6142.500109.4L111L111-E113 PolarHBondContact O-N 2.65Å
114E35.1Very low32.7Very low157 Ų157140.9 Ų140.973%0.73476%0.758SS**  trans-104.4125.4159.9-72.9-169.816200107.8P112P112-E114 PolarHBondContact O-N 2.85Å
115T34.6Very low32.7Very low113 Ų113144.2 Ų144.269%0.69377%0.773SS**SBendtrans99.922.315571.80000122.2
116W31.9Very low32.5Very low252 Ų252145.3 Ų145.396%0.95578%0.779SS**  trans-114.567.3160.8-71.272.2000112.9
117N28.8Very low32.4Very low124 Ų124143.5 Ų143.566%0.66378%0.777SS**  trans19.4115.3139.5-70.8-39000118.9
118N27.1Very low32.6Very low142 Ų142142.5 Ų142.576%0.75977%0.773SS**  51.769.6124.8-60.3-42.7000117.7
119F32.1Very low33Very low214 Ų214145.5 Ų145.594%0.93978%0.78SS**  trans-149.1116.5149.8-81.3-77000110.5
120G27.3Very low33.2Very low75 Ų75142.4 Ų142.477%0.77377%0.772SS**  trans103.995.7157.600000116
121T28.9Very low33.7Very low132 Ų132142.2 Ų142.281%0.8177%0.771SS**  trans-22.9153.3162.736.10000120.1
122P29.8Very low34.2Very low116 Ų116142 Ų14275%0.75377%0.77SS**  trans-81131.8-166.534.2-33.8000112
123V34.1Very low35Very low135 Ų135140.8 Ų140.882%0.81877%0.765SS**  trans-108.2108.1161.9173.70000106.7N125V123-N125 PolarHBondContact O-N 2.97Å
124N31.5Very low35.6Very low132 Ų132140.9 Ų140.971%0.70676%0.762SS**  trans-37.5122165.2-68-19.8000110.7
125N36.1Very low36.6Very low144 Ų144140.6 Ų140.677%0.7776%0.761SS**  trans-153.7111.7142.1-85.8-34.9000107.4V123 D127V123-N125 PolarHBondContact O-N 2.97Å; N125-D127 PolarHBondContact O-N 3.08Å
126D34.8Very low37.6Very low151 Ų151139.4 Ų139.481%0.80776%0.755SS**  trans-69.467.1179.6-62.5-65.5000112P128D126-P128 WeakPolarHBondContact O-CD 3.43Å
127D31.8Very low39.1Very low131 Ų131135.2 Ų135.270%0.70175%0.749SS**  trans-102.784164.2-80.1-34.3000109.3N125 F129N125-D127 PolarHBondContact O-N 3.08Å; D127-F129 PolarHBondContact O-N 2.98Å
128P40.8Very low40.6Very low101 Ų101137.2 Ų137.266%0.65675%0.753SS**  trans-62.4108.4162.527.3-30.1000106.1D126 V130D126-P128 WeakPolarHBondContact O-CD 3.43Å; P128-V130 HydrophobicContact CB-CG2 4.33Å; P128-V130 PolarHBondContact O-N 3.06Å
129F40.7Very low42.3Very low199 Ų199135.3 Ų135.387%0.87375%0.748SS**  trans-6080.8165-78.5-90.2000108.1D127 C131D127-F129 PolarHBondContact O-N 2.98Å; F129-C131 VanDerWaalsContact C-N 3.34Å; F129-C131 PolarHBondContact O-N 2.88Å
130V40.1Very low43.8Very low101 Ų101130 Ų13061%0.61274%0.735SS**  trans-71.199.4166.51790000104.3P128 N132P128-V130 HydrophobicContact CB-CG2 4.33Å; P128-V130 PolarHBondContact O-N 3.06Å; V130-N132 PolarHBondContact O-N 3.43Å
131C39.7Very low45.2Very low115 Ų115131.4 Ų131.478%0.77773%0.73SS**  trans-56.785.7166.3-88.70000108.4F129 S133F129-C131 VanDerWaalsContact C-N 3.34Å; F129-C131 PolarHBondContact O-N 2.88Å; C131-S133 PolarHBondContact O-N 2.67Å
132N43Very low46.3Very low139 Ų139131 Ų13174%0.74373%0.728SS**  trans-81.933.7177.6-117.2-10.2000110.5V130 K134V130-N132 PolarHBondContact O-N 3.43Å; N132-K134 PolarHBondContact O-N 3.11Å
133S50Low47.6Very low82 Ų82135 Ų13557%0.57373%0.729SS**  trans-70.399171.952.40000107.3C131 E135C131-S133 PolarHBondContact O-N 2.67Å; S133-E135 PolarHBondContact O-N 2.96Å
134K49.6Very low48.5Very low204 Ų204134.8 Ų134.889%0.88773%0.728SS**  trans-62.425.5165.1-66.6-173.9174.7-1770112.8N132N132-K134 PolarHBondContact O-N 3.11Å
135E55Low49Very low151 Ų151136.7 Ų136.771%0.70673%0.733SS**  trans-82.8122178.4-160.5165.3-155.900107.1S133 I137S133-E135 PolarHBondContact O-N 2.96Å; E135-I137 PolarHBondContact O-N 2.94Å
136P56.1Low49.5Very low88 Ų88135.4 Ų135.457%0.57173%0.733SS**  trans-59.7112174.423-29.9000107.8F138P136-F138 VanDerWaalsContact C-N 3.33Å; P136-F138 HydrophobicContact CB-CE2 4.4Å; P136-F138 HydrophobicContact CG-CE2 3.94Å; P136-F138 HydrophobicContact CG-CZ 4.37Å; P136-F138 VanDerWaalsContact O-CD2 3.28Å; P136-F138 WeakPolarHBondContact O-CD2 3.43Å; P136-F138 PolarHBondContact O-N 2.84Å
137I63.6Low49.7Very low164 Ų164130.9 Ų130.984%0.84172%0.722SS**  trans-65.2100.1170.8-59.1171.6000105.6E135E135-I137 PolarHBondContact O-N 2.94Å
138F59.7Low50.3Low166 Ų166133.1 Ų133.173%0.72873%0.733SS**PPolyproline II helixtrans-67.2129.7170.8-74.5-85.3000107.7P136P136-F138 VanDerWaalsContact C-N 3.33Å; P136-F138 HydrophobicContact CB-CE2 4.4Å; P136-F138 HydrophobicContact CG-CE2 3.94Å; P136-F138 HydrophobicContact CG-CZ 4.37Å; P136-F138 VanDerWaalsContact O-CD2 3.28Å; P136-F138 WeakPolarHBondContact O-CD2 3.43Å; P136-F138 PolarHBondContact O-N 2.84Å
139P64.3Low50.5Low101 Ų101135.9 Ų135.966%0.65674%0.742SS**PPolyproline II helixtrans-57.2142.6168.725.2-31.6000108.2
140P62.2Low50.2Low103 Ų103136.7 Ų136.767%0.66974%0.741SS**PPolyproline II helixtrans-54.2149.6175.424.1-33.2000109.4T142P140-T142 PolarHBondContact O-N 2.98Å
141P58Low50Low105 Ų105140.4 Ų140.468%0.68275%0.751SS**  trans-53.8110.7178.719.9-30.3000109.2Y143P141-Y143 PolarHBondContact O-N 2.92Å
142T52.2Low49.9Very low124 Ų124141 Ų14176%0.76175%0.754SS**  trans-68.3102.7173.8-44.90000106.6P140 T144P140-T142 PolarHBondContact O-N 2.98Å; T142-T144 PolarHBondContact O-N 3.19Å; T142-T144 VanDerWaalsContact O-N 3.08Å
143Y55.3Low49.6Very low199 Ų199137.2 Ų137.278%0.7875%0.747SS**  trans-58.4117.4163-67.7-82.9000106.2P141 E145P141-Y143 PolarHBondContact O-N 2.92Å; Y143-E145 PolarHBondContact O-N 3.08Å
144T54.1Low48.9Very low130 Ų130141.3 Ų141.380%0.79876%0.761SS**  trans-62109.2168.7-50.10000104.8T142 P146T142-T144 PolarHBondContact O-N 3.19Å; T142-T144 VanDerWaalsContact O-N 3.08Å; T144-P146 VanDerWaalsContact O-N 3.15Å
145E42.3Very low48.3Very low172 Ų172140 Ų14080%0.80476%0.763SS**  trans-50.6127.2169.2-84.2-161.7157.400106.6Y143 G147Y143-E145 PolarHBondContact O-N 3.08Å; E145-G147 PolarHBondContact O-N 2.85Å
146P46.6Very low47.3Very low117 Ų117139.7 Ų139.776%0.7677%0.766SS**  trans-52.3111.5178.5-22.130.3000107.4T144 L148T144-P146 VanDerWaalsContact O-N 3.15Å; P146-L148 PolarHBondContact O-N 2.86Å; P146-L148 VanDerWaalsContact O-N 3.12Å
147G39.2Very low46.4Very low56 Ų56143.1 Ų143.158%0.57778%0.78SS**  trans-51.2128.217400000106.9E145 N149 Y150E145-G147 PolarHBondContact O-N 2.85Å; G147-N149 PolarHBondContact O-N 2.97Å; G147-Y150 PolarHBondContact O-N 3.02Å
148L44.6Very low44.9Very low179 Ų179140.4 Ų140.494%0.93777%0.774SS**THydrogen-bonded Turntrans-55.912.8-172.2-76.6166.2000115.8P146P146-L148 PolarHBondContact O-N 2.86Å; P146-L148 VanDerWaalsContact O-N 3.12Å
149N43.4Very low43.6Very low159 Ų159137.6 Ų137.685%0.8577%0.766SS**THydrogen-bonded Turntrans-126.711.2-175.6-62.9-28.3000114.1G147G147-N149 PolarHBondContact O-N 2.97Å
150Y35.7Very low42.1Very low216 Ų216142.7 Ų142.785%0.84777%0.772SS**  trans-94.5102.7169.7-111.5-90.2000110.5G147 P152G147-Y150 PolarHBondContact O-N 3.02Å; Y150-P152 WeakPolarHBondContact O-CD 3.47Å
151E35.5Very low40.6Very low178 Ų178145 Ų14583%0.83277%0.774SS**  trans-60117.2171.1-159.6-166-156.900109.2G153E151-G153 PolarHBondContact O-N 3.2Å
152P37.8Very low39.4Very low129 Ų129147.9 Ų147.984%0.83878%0.782SS**  trans-82.185.7-174.531-30.6000109.9Y150Y150-P152 WeakPolarHBondContact O-CD 3.47Å
153G37Very low38.3Very low58 Ų58151.8 Ų151.860%0.59878%0.783SS**  trans-88.1125.8171.100000111.7E151E151-G153 PolarHBondContact O-N 3.2Å
154I35.5Very low37.1Very low169 Ų169148.6 Ų148.687%0.86778%0.78SS**SBendtrans93.522.7157.2-40.9152.9000117.1
155L36.1Very low35.8Very low175 Ų175145.6 Ų145.692%0.91678%0.775SS**  trans-114.919.8168-84.6169.1000114.9
156D34.2Very low35.2Very low145 Ų145144.7 Ų144.778%0.77578%0.775SS**THydrogen-bonded Turntrans-915-175.9-112.3-6000115.8
157D36.9Very low34.3Very low160 Ų160146.3 Ų146.386%0.85678%0.778SS**THydrogen-bonded Turntrans-97.25.3-174.1-78.8-8.4000115.4
158C32.2Very low33.7Very low107 Ų107148.8 Ų148.872%0.72379%0.786SS**  trans-106.561.2165.1-72.60000109.7W160C158-W160 PolarHBondContact O-N 3.42Å
159L32Very low32.9Very low107 Ų107146.4 Ų146.456%0.5678%0.779SS**  trans-48.5104.8165.3-88.1154.8000109.4E161L159-E161 HydrophobicContact CB-CB 4.45Å; L159-E161 HydrophobicContact CD2-CB 4.25Å; L159-E161 HydrophobicContact CD2-CG 3.65Å; L159-E161 PolarHBondContact O-N 2.98Å
160W32.5Very low32Very low208 Ų208146.2 Ų146.279%0.78878%0.777SS**G310 helixtrans-63.63.5167.6-7976.8000112.8C158 I162 W163C158-W160 PolarHBondContact O-N 3.42Å; W160-I162 PolarHBondContact O-N 3.47Å; W160-I162 VanDerWaalsContact O-N 3.12Å; W160-W163 HydrophobicContact CZ3-CE3 4.4Å; W160-W163 PolarHBondContact O-N 2.01Å
161E30.7Very low31.5Very low152 Ų152145.7 Ų145.771%0.7178%0.782SS**G310 helixtrans-66-9.8-179.4-71.5-168.5166.600114.2L159 W163L159-E161 HydrophobicContact CB-CB 4.45Å; L159-E161 HydrophobicContact CD2-CB 4.25Å; L159-E161 HydrophobicContact CD2-CG 3.65Å; L159-E161 PolarHBondContact O-N 2.98Å; E161-W163 PolarHBondContact O-N 3.42Å
162I34.6Very low31Very low165 Ų165141.3 Ų141.385%0.84677%0.771SS**G310 helixtrans-75.3-11.3174.3-51.4179000111.9W160W160-I162 PolarHBondContact O-N 3.47Å; W160-I162 VanDerWaalsContact O-N 3.12Å
163W28.1Very low30.4Very low206 Ų206144.1 Ų144.178%0.7877%0.773SS**G310 helixtrans-78.1-23.1-178.1-152.9-70.8000114.1W160 E161 G165W160-W163 HydrophobicContact CZ3-CE3 4.4Å; W160-W163 PolarHBondContact O-N 2.01Å; E161-W163 PolarHBondContact O-N 3.42Å; W163-G165 PolarHBondContact O-N 3.19Å
164N29.7Very low29.9Very low133 Ų133150.1 Ų150.171%0.71179%0.785SS**  trans-9891.7-178-69.9-15.6000110.4D166N164-D166 PolarHBondContact O-N 3.25Å
165G26.8Very low29.3Very low67 Ų67151 Ų15169%0.69179%0.786SS**  trans-67.14117400000115.2W163 N167W163-G165 PolarHBondContact O-N 3.19Å; G165-N167 PolarHBondContact O-N 2.94Å
166D30.5Very low28.8Very low152 Ų152152.4 Ų152.481%0.81378%0.784SS**  trans-87.690.6170.7-75.8-20.9000109.2N164N164-D166 PolarHBondContact O-N 3.25Å
167N27.7Very low28.4Very low152 Ų152156.8 Ų156.881%0.81379%0.79SS**  trans-52.8138.5163.3-78.9-55.5000110.4G165G165-N167 PolarHBondContact O-N 2.94Å
168S25.6Very low27.7Very low108 Ų108155 Ų15576%0.75579%0.785SS**  trans102.1127.415781.80000117.3
169V27.4Very low27.4Very low129 Ų129154.8 Ų154.878%0.78278%0.782SS**  trans77.284.2159.9-159.30000115.1
170L26Very low27Very low154 Ų154159 Ų15981%0.80680%0.799SS**  -172.683.2125.6-94.9157.3000109.4S172L170-S172 VanDerWaalsContact C-N 3.32Å; L170-S172 PolarHBondContact O-N 3.45Å
171Q24.2Very low26.7Very low205 Ų205153.6 Ų153.696%0.95879%0.789SS**  trans-61.799.9149.2-80.6178.7-11.800106.9
172S24.8Very low26.4Very low86 Ų86151.8 Ų151.860%0.60179%0.793SS**  trans-129.5133.4159.691.30000109.4L170 H174L170-S172 VanDerWaalsContact C-N 3.32Å; L170-S172 PolarHBondContact O-N 3.45Å; S172-H174 PolarHBondContact O-N 3.44Å
173Q25.4Very low25.9Very low189 Ų189153.7 Ų153.788%0.88379%0.791SS**  trans-64.4107.9-166.1-59.9178.5-4.300111.2
174H26.6Very low25.7Very low183 Ų183150.2 Ų150.285%0.84779%0.793SS**  trans-116113.4154.2-91.1-77.4000110S172 K176S172-H174 PolarHBondContact O-N 3.44Å; H174-K176 PolarHBondContact O-N 2.92Å
175Q24.1Very low25.5Very low189 Ų189147.5 Ų147.588%0.88379%0.789SS**  trans-48.3129.1-177.8-77.4167.5-32.900111.8R177Q175-R177 PolarHBondContact O-N 3.27Å
176K25.5Very low25.4Very low204 Ų204150.2 Ų150.289%0.88780%0.796SS**  trans-46.795.3164.6-68.8172.4175.1178.60110.6H174 T178H174-K176 PolarHBondContact O-N 2.92Å; K176-T178 PolarHBondContact O-N 2.98Å
177R24.4Very low25.1Very low237 Ų237150 Ų15089%0.89480%0.795SS**  trans-90.992.1155.9-129.6-179.6-172-179.22.2105.6Q175 P179Q175-R177 PolarHBondContact O-N 3.27Å; R177-P179 WeakPolarHBondContact O-CD 3.29Å; R177-P179 VanDerWaalsContact O-N 3.12Å
178T23.1Very low25.1Very low123 Ų123151 Ų15176%0.75579%0.792SS**  trans-55.7111.5177.1-10.60000108.4K176 Q180K176-T178 PolarHBondContact O-N 2.98Å; T178-Q180 PolarHBondContact O-N 3.28Å; T178-Q180 VanDerWaalsContact O-N 3.16Å
179P26.8Very low25Very low102 Ų102153.3 Ų153.366%0.66280%0.795SS**  trans-69.2113.6168.4-926.7000106R177 T181R177-P179 WeakPolarHBondContact O-CD 3.29Å; R177-P179 VanDerWaalsContact O-N 3.12Å; P179-T181 PolarHBondContact O-N 3.39Å
180Q22.6Very low25Very low196 Ų196156.4 Ų156.492%0.91679%0.793SS**  trans-69.870.7163.8-78.9-174.5-28.800108.2T178T178-Q180 PolarHBondContact O-N 3.28Å; T178-Q180 VanDerWaalsContact O-N 3.16Å
181T26.1Very low24.9Very low93 Ų93155 Ų15557%0.57180%0.797SS**  trans-98100.5165.122.80000106.9P179 Y183P179-T181 PolarHBondContact O-N 3.39Å; T181-Y183 WeakPolarHBondContact O-CD2 3.18Å; T181-Y183 PolarHBondContact O-N 2.91Å
182S23.4Very low24.9Very low115 Ų115147.7 Ų147.780%0.80478%0.776SS**  trans-57.583165.843.40000109.5T184S182-T184 PolarHBondContact O-N 2.96Å; S182-T184 VanDerWaalsContact O-N 3.08Å
183Y25.1Very low24.9Very low204 Ų204151.4 Ų151.480%0.879%0.789SS**  trans-68.799.3161.4-81.3-90.5000106.7T181 A185T181-Y183 WeakPolarHBondContact O-CD2 3.18Å; T181-Y183 PolarHBondContact O-N 2.91Å; Y183-A185 PolarHBondContact O-N 2.96Å
184T24.5Very low24.9Very low133 Ų133148.9 Ų148.982%0.81679%0.787SS**  trans-55.996.1154.122.50000106.5S182 C186S182-T184 PolarHBondContact O-N 2.96Å; S182-T184 VanDerWaalsContact O-N 3.08Å; T184-C186 PolarHBondContact O-N 2.81Å
185A24.3Very low25.1Very low77 Ų77144.7 Ų144.764%0.63678%0.776SS**  trans-57.9119.8171.400000107.2Y183 D187Y183-A185 PolarHBondContact O-N 2.96Å; A185-D187 VanDerWaalsContact C-N 3.34Å; A185-D187 PolarHBondContact O-N 2.7Å
186C25.3Very low25Very low124 Ų124140.8 Ų140.884%0.83877%0.769SS**  trans-61.1102167.8-63.60000107T184 K188T184-C186 PolarHBondContact O-N 2.81Å; C186-K188 PolarHBondContact O-N 3.1Å
187D24.7Very low25Very low148 Ų148140.7 Ų140.779%0.79177%0.769SS**  trans-56.3111.5175.7-83-34.6000108.6A185 I189A185-D187 VanDerWaalsContact C-N 3.34Å; A185-D187 PolarHBondContact O-N 2.7Å; D187-I189 VanDerWaalsContact C-N 3.34Å; D187-I189 PolarHBondContact O-N 2.86Å
188K26.2Very low25.1Very low171 Ų171136.6 Ų136.674%0.74376%0.764SS**  trans-64.795.1171.4-71.3176.7176.31770107.4C186 Y190C186-K188 PolarHBondContact O-N 3.1Å; K188-Y190 HydrophobicContact CB-CD2 3.98Å; K188-Y190 HydrophobicContact CB-CE2 4.36Å; K188-Y190 HydrophobicContact CD-CD2 4.5Å; K188-Y190 HydrophobicContact CD-CE2 4.07Å; K188-Y190 PolarHBondContact O-N 3.12Å
189I25.4Very low25.2Very low158 Ų158140.8 Ų140.881%0.8177%0.767SS**  trans-70.885163.7-55.1175.1000106D187 S191D187-I189 VanDerWaalsContact C-N 3.34Å; D187-I189 PolarHBondContact O-N 2.86Å; I189-S191 PolarHBondContact O-N 2.71Å; I189-S191 VanDerWaalsContact O-N 3.11Å
190Y26.3Very low25.2Very low193 Ų193142.3 Ų142.376%0.75777%0.77SS**  trans-64.6103.6167.5-104.7-91000107.5K188 G192K188-Y190 HydrophobicContact CB-CD2 3.98Å; K188-Y190 HydrophobicContact CB-CE2 4.36Å; K188-Y190 HydrophobicContact CD-CD2 4.5Å; K188-Y190 HydrophobicContact CD-CE2 4.07Å; K188-Y190 PolarHBondContact O-N 3.12Å; Y190-G192 VanDerWaalsContact C-N 3.27Å; Y190-G192 PolarHBondContact O-N 3.12Å
191S23.6Very low25.3Very low125 Ų125137 Ų13787%0.87477%0.767SS**  trans-66.389.4162.5-74.80000108.6I189I189-S191 PolarHBondContact O-N 2.71Å; I189-S191 VanDerWaalsContact O-N 3.11Å
192G23.7Very low25.4Very low51 Ų51137 Ų13753%0.52678%0.777SS.*  trans-153.581177.300000109.6Y190 T194Y190-G192 VanDerWaalsContact C-N 3.27Å; Y190-G192 PolarHBondContact O-N 3.12Å; G192-T194 PolarHBondContact O-N 3.08Å
193D24.6Very low25.6Very low165 Ų165142.7 Ų142.788%0.88278%0.781SS**  trans24.792.5150.2-61.6-30.3000117
194T26.3Very low25.8Very low136 Ų136141.8 Ų141.883%0.83478%0.784SS**  trans-163.3149.4144.813.60000110.4G192G192-T194 PolarHBondContact O-N 3.08Å
195P29.9Very low25.9Very low95 Ų95143 Ų14362%0.61778%0.778SS**  trans-92.2146.9-135.134.5-36.9000115F197P195-F197 PolarHBondContact O-N 2.73Å; P195-F197 VanDerWaalsContact O-N 3.1Å
196S22.4Very low26.2Very low106 Ų106144.9 Ų144.974%0.74178%0.783SS**  trans18.876.1149.866.80000117.1I198S196-I198 PolarHBondContact O-N 2.78Å
197F25.8Very low26.3Very low202 Ų202147.7 Ų147.789%0.88678%0.778SS**  trans-79.599.1153.8-87.6-87.9000108.3P195 Y199P195-F197 PolarHBondContact O-N 2.73Å; P195-F197 VanDerWaalsContact O-N 3.1Å; F197-Y199 PolarHBondContact O-N 3.3Å
198I26.8Very low26.5Very low151 Ų151152.7 Ų152.777%0.77479%0.785SS**  trans-65.986.2163.4-57.3173.1000106.1S196S196-I198 PolarHBondContact O-N 2.78Å
199Y25.8Very low26.5Very low211 Ų211149.1 Ų149.183%0.82778%0.782SS**  trans-94.8107.1167.2-155-97.3000108.5F197F197-Y199 PolarHBondContact O-N 3.3Å
200N27.1Very low26.6Very low135 Ų135153 Ų15372%0.72279%0.787SS**  trans-50.7146177.5-88.5-31.7000112.2A202N200-A202 PolarHBondContact O-N 3.06Å
201G24.6Very low26.7Very low84 Ų84149.2 Ų149.287%0.86678%0.78SS**  trans-45.4124.4-169.200000116.4
202A28.3Very low26.9Very low92 Ų92150.5 Ų150.576%0.7678%0.776SS**  trans-125.393.9155.100000107.9N200N200-A202 PolarHBondContact O-N 3.06Å
203R26.6Very low27.1Very low236 Ų236154 Ų15489%0.89179%0.787SS**  trans-4.2128164.4-64176.5175.8-136-1.6117.1K205R203-K205 PolarHBondContact O-N 3.24Å
204E28.6Very low27.3Very low185 Ų185151.7 Ų151.786%0.86478%0.784SS**  trans-29.1119.5151.6-65.1171.1142.100112.4
205K28.2Very low27.5Very low158 Ų158151.9 Ų151.969%0.68778%0.78SS**  trans-119.597.8151.9-78.8-171.8177.8-178.90107.3R203 Y207R203-K205 PolarHBondContact O-N 3.24Å; K205-Y207 VanDerWaalsContact C-N 3.3Å; K205-Y207 HydrophobicContact CB-CD2 3.86Å; K205-Y207 HydrophobicContact CB-CE2 3.87Å; K205-Y207 HydrophobicContact CD-CE2 3.79Å; K205-Y207 HydrophobicContact CG-CE2 4.48Å; K205-Y207 PolarHBondContact O-N 3.43Å
206P29Very low27.4Very low117 Ų117153.4 Ų153.476%0.7678%0.783SS**  trans-6991.4170.427-30.3000108.6W208P206-W208 PolarHBondContact O-N 2.93Å
207Y28.9Very low27.6Very low183 Ų183155.7 Ų155.772%0.71879%0.785SS**  trans-76.371.7171.6-90.4-88.2000110K205K205-Y207 VanDerWaalsContact C-N 3.3Å; K205-Y207 HydrophobicContact CB-CD2 3.86Å; K205-Y207 HydrophobicContact CB-CE2 3.87Å; K205-Y207 HydrophobicContact CD-CE2 3.79Å; K205-Y207 HydrophobicContact CG-CE2 4.48Å; K205-Y207 PolarHBondContact O-N 3.43Å
208W28.6Very low27.7Very low252 Ų252154 Ų15496%0.95578%0.777SS**  trans-135.859.1153-63.797.2000106.9P206 R210P206-W208 PolarHBondContact O-N 2.93Å; W208-R210 PolarHBondContact O-N 3.01Å
209S26.3Very low27.7Very low96 Ų96155 Ų15567%0.67178%0.779SS**  trans-72.2125.9168.3-152.90000107.7D211S209-D211 VanDerWaalsContact C-N 3.29Å; S209-D211 PolarHBondContact O-N 3.49Å; S209-D211 PolarHBondContact OG-OD2 3.28Å
210R26.8Very low27.7Very low240 Ų240153.7 Ų153.791%0.90678%0.78SS**  trans-92.762.7-170.1-168.7-172.6-175.4177.91.4108.4W208W208-R210 PolarHBondContact O-N 3.01Å
211D28.2Very low27.6Very low114 Ų114153 Ų15361%0.6178%0.781SS**  trans-133.5133.7-177.8-56.7-59.6000109.9S209S209-D211 VanDerWaalsContact C-N 3.29Å; S209-D211 PolarHBondContact O-N 3.49Å; S209-D211 PolarHBondContact OG-OD2 3.28Å
212D27.7Very low27.7Very low151 Ų151156.8 Ų156.881%0.80778%0.78SS**  trans85.236.8156.4-51.8-24.1000121
213V29.6Very low27.6Very low125 Ų125157.3 Ų157.376%0.75878%0.778SS**  trans-97.985.7148.3-167.90000108.5L215V213-L215 HydrophobicContact CG1-CD1 3.75Å; V213-L215 PolarHBondContact O-N 3.06Å
214S27.7Very low27.4Very low117 Ų117157.5 Ų157.582%0.81878%0.779SS**  trans-59.178.9160.857.10000108.7D216S214-D216 PolarHBondContact O-N 3.38Å
215L30.3Very low27.3Very low140 Ų140155.9 Ų155.973%0.73378%0.775SS**  trans-71.9104170.2-138.883.8000105.9V213 I217V213-L215 HydrophobicContact CG1-CD1 3.75Å; V213-L215 PolarHBondContact O-N 3.06Å; L215-I217 WeakPolarHBondContact O-CG1 3.37Å; L215-I217 PolarHBondContact O-N 3.44Å
216D27.9Very low27.2Very low127 Ų127152.2 Ų152.268%0.67977%0.774SS**  trans-40.598.9174.4-159.710.7000109.2S214 K218S214-D216 PolarHBondContact O-N 3.38Å; D216-K218 PolarHBondContact O-N 2.91Å
217I26.9Very low27Very low153 Ų153149.6 Ų149.679%0.78577%0.768SS**  trans-72.368.6177.1-57170.7000105.7L215 Q219L215-I217 WeakPolarHBondContact O-CG1 3.37Å; L215-I217 PolarHBondContact O-N 3.44Å; I217-Q219 VanDerWaalsContact C-N 3.27Å; I217-Q219 PolarHBondContact O-N 2.81Å
218K28.4Very low26.8Very low166 Ų166150.4 Ų150.472%0.72277%0.771SS**  trans-67.6102.3159.5-80.6-173.8-179.3176.50105.4D216 Q220D216-K218 PolarHBondContact O-N 2.91Å; K218-Q220 PolarHBondContact O-N 3.1Å
219Q26.6Very low26.7Very low174 Ų174146 Ų14681%0.81377%0.766SS**  trans-38.376.8165.8-64.1164.8-4.600111.1I217 T221I217-Q219 VanDerWaalsContact C-N 3.27Å; I217-Q219 PolarHBondContact O-N 2.81Å; Q219-T221 PolarHBondContact O-N 2.76Å
220Q25.7Very low26.7Very low183 Ų183148.1 Ų148.186%0.85577%0.77SS**  trans-7687.8153.7-84.9-173.2-9.500105K218 L222K218-Q220 PolarHBondContact O-N 3.1Å; Q220-L222 PolarHBondContact O-N 3.03Å
221T24.6Very low26.8Very low120 Ų120141.5 Ų141.574%0.73676%0.757SS**  trans-40.9102.9165.2-540000107.7Q219 S223Q219-T221 PolarHBondContact O-N 2.76Å; T221-S223 PolarHBondContact O-N 3.19Å
222L28Very low26.9Very low164 Ų164142.8 Ų142.886%0.85977%0.769SS**  trans-57.2106.4174.8-143.492.3000105.8Q220 R224Q220-L222 PolarHBondContact O-N 3.03Å; L222-R224 VanDerWaalsContact C-N 3.35Å; L222-R224 PolarHBondContact O-N 3.06Å
223S24.9Very low26.9Very low103 Ų103141.5 Ų141.572%0.7277%0.767SS**  trans-58.5104.7175.9-36.50000106.6T221 I225T221-S223 PolarHBondContact O-N 3.19Å; S223-I225 PolarHBondContact O-N 3.24Å
224R22.2Very low26.7Very low239 Ų239143.5 Ų143.590%0.90277%0.768SS**  trans-66.680.8-178.7-165.6-173.5-154.2-174.86.4107.9L222 A226L222-R224 VanDerWaalsContact C-N 3.35Å; L222-R224 PolarHBondContact O-N 3.06Å; R224-A226 PolarHBondContact O-N 3.39Å
225I26.2Very low26.7Very low151 Ų151143.5 Ų143.577%0.77477%0.765SS**  trans-70.5102.5168.5-59.5174.7000105.8S223S223-I225 PolarHBondContact O-N 3.24Å
226A26.8Very low26.7Very low82 Ų82148.4 Ų148.468%0.67877%0.774SS**  trans-67.7133.1174.700000109.8R224R224-A226 PolarHBondContact O-N 3.39Å
227G24.8Very low26.8Very low61 Ų61148.9 Ų148.963%0.62978%0.776SS**  trans83.446.2137.600000118.5
228Y23.9Very low26.8Very low200 Ų200147 Ų14778%0.78478%0.777SS**  trans-112.485.8151.1-70.1-76.8000109.7L230Y228-L230 PolarHBondContact O-N 2.75Å
229N26.8Very low26.8Very low160 Ų160148.4 Ų148.486%0.85678%0.779SS**  trans-66.883.2159.6-68.5-50.4000107.2P231N229-P231 VanDerWaalsContact O-CD 3.28Å; N229-P231 WeakPolarHBondContact O-CD 3.35Å
230L26.4Very low27.1Very low141 Ų141149.6 Ų149.674%0.73878%0.776SS**  trans-69.1120.3165.6-103.685.7000107.3Y228 V232Y228-L230 PolarHBondContact O-N 2.75Å; L230-V232 PolarHBondContact O-N 3.19Å
231P29.6Very low27.2Very low100 Ų100149.5 Ų149.565%0.64978%0.781SS**  trans-59.1132169.624.2-30.4000108.1N229 T233N229-P231 VanDerWaalsContact O-CD 3.28Å; N229-P231 WeakPolarHBondContact O-CD 3.35Å; P231-T233 PolarHBondContact O-N 2.91Å
232V29.5Very low27.6Very low141 Ų141152.3 Ų152.386%0.85578%0.783SS**  trans-66.281.9171.8-176.80000107.1L230 Q234L230-V232 PolarHBondContact O-N 3.19Å; V232-Q234 VanDerWaalsContact C-N 3.33Å; V232-Q234 PolarHBondContact O-N 3.23Å
233T27.5Very low27.7Very low125 Ų125152.8 Ų152.877%0.76778%0.781SS**  trans-71.296.4170.431.20000107.1P231P231-T233 PolarHBondContact O-N 2.91Å
234Q26.3Very low27.8Very low167 Ų167154.1 Ų154.178%0.7879%0.79SS**  trans-48.5135.2162.1-103176.5-15.700108.6V232 R236V232-Q234 VanDerWaalsContact C-N 3.33Å; V232-Q234 PolarHBondContact O-N 3.23Å; Q234-R236 VanDerWaalsContact C-N 3.32Å; Q234-R236 PolarHBondContact O-N 3.04Å
235P26.6Very low28.1Very low117 Ų117147.7 Ų147.776%0.7678%0.777SS**  trans-67.695.9177.327.7-30.4000107.3D237P235-D237 PolarHBondContact O-N 3.47Å
236R30.7Very low28.1Very low243 Ų243145.9 Ų145.992%0.91778%0.778SS**  trans-76.8119.9161.8-110.2-168.8-178-166.82106.1Q234 S238Q234-R236 VanDerWaalsContact C-N 3.32Å; Q234-R236 PolarHBondContact O-N 3.04Å; R236-S238 PolarHBondContact O-N 3.38Å
237D30.4Very low28.2Very low136 Ų136152.5 Ų152.573%0.72779%0.787SS**  trans-44.4128-175.5-59.9-53.9000111.9P235 Y239P235-D237 PolarHBondContact O-N 3.47Å; D237-Y239 PolarHBondContact O-N 2.9Å
238S26.9Very low28.2Very low113 Ų113152.5 Ų152.579%0.7979%0.787SS**  trans-47.790.9175.242.90000112.5R236R236-S238 PolarHBondContact O-N 3.38Å
239Y29.5Very low28.3Very low197 Ų197151.6 Ų151.677%0.77379%0.79SS**  trans-111.593.4156.7-76.9-89.9000109.1D237D237-Y239 PolarHBondContact O-N 2.9Å
240W31.3Very low28.4Very low199 Ų199149.3 Ų149.375%0.75478%0.784SS**  trans61.192146.2-59.388.3000116.9K242W240-K242 PolarHBondContact O-N 2.91Å
241L28.6Very low28.7Very low181 Ų181151.8 Ų151.895%0.94879%0.792SS**  073.5118.9-135.188.6000114.7
242K32.1Very low28.5Very low179 Ų179154.9 Ų154.978%0.77880%0.797SS**  trans-141.582.2164.8-85.2-169.9179.2179.70107.3W240W240-K242 PolarHBondContact O-N 2.91Å
243Q30.6Very low28.3Very low174 Ų174154.2 Ų154.281%0.81379%0.788SS**  trans171.3101.2135-91.9169.92700106.3T245Q243-T245 PolarHBondContact O-N 3.18Å; Q243-T245 PolarHBondContact O-OG1 3.37Å
244S26.3Very low28.3Very low131 Ų131156.4 Ų156.492%0.91679%0.794SS**  trans-64.380.3165.1-3.90000107.5S246S244-S246 VanDerWaalsContact C-N 3.31Å; S244-S246 PolarHBondContact O-N 3.06Å; S244-S246 VanDerWaalsContact O-N 3.08Å
245T28.8Very low28.3Very low103 Ų103157.3 Ų157.363%0.63280%0.796SS**  trans-73.796.6162.718.80000106.4Q243 Y247Q243-T245 PolarHBondContact O-N 3.18Å; Q243-T245 PolarHBondContact O-OG1 3.37Å; T245-Y247 PolarHBondContact O-N 2.9Å
246S26.7Very low28.4Very low114 Ų114158 Ų15880%0.79780%0.797SS**  trans-47.3109.9164.2177.10000108S244 G248S244-S246 VanDerWaalsContact C-N 3.31Å; S244-S246 PolarHBondContact O-N 3.06Å; S244-S246 VanDerWaalsContact O-N 3.08Å; S246-G248 PolarHBondContact O-N 2.84Å
247Y29.2Very low28Very low221 Ų221152.3 Ų152.387%0.86779%0.785SS**  trans-66.891.5168.6-73.7-87.4000106.8T245 E249T245-Y247 PolarHBondContact O-N 2.9Å; Y247-E249 PolarHBondContact O-N 3.37Å
248G25Very low27.9Very low61 Ų61157 Ų15763%0.62979%0.793SS**  trans-59.2132161.100000107.9S246S246-G248 PolarHBondContact O-N 2.84Å
249E25.1Very low27.8Very low181 Ų181159 Ų15985%0.84679%0.79SS**  trans-45.7140.6174.2-115.3-165.5142.600111Y247 E251Y247-E249 PolarHBondContact O-N 3.37Å; E249-E251 PolarHBondContact O-N 3.1Å
250P29.6Very low27.8Very low112 Ų112156.7 Ų156.773%0.72779%0.791SS**  trans-7192.2-178.228.9-32.8000109.9H252P250-H252 PolarHBondContact O-N 2.96Å
251E31.6Very low27.6Very low193 Ų193157.5 Ų157.590%0.90279%0.793SS**  trans-61.6126.5165.6-73.1-133.6161.600109.6E249E249-E251 PolarHBondContact O-N 3.1Å
252H26.5Very low27.5Very low164 Ų164155.8 Ų155.876%0.75978%0.784SS**  trans-62.7136.6-174.9-69.9-100.1000112.3P250P250-H252 PolarHBondContact O-N 2.96Å
253L25Very low27.2Very low127 Ų127153.1 Ų153.167%0.66579%0.788SS**  trans58103.6139.8-63.5166.6000118.4F255L253-F255 HydrophobicContact CD2-CD2 4.17Å; L253-F255 HydrophobicContact CD2-CE2 3.81Å
254L27.4Very low26.9Very low172 Ų172153.9 Ų153.990%0.90179%0.792SS**  trans-139.1104.3133.5-79.5179.3000110.2V256L254-V256 PolarHBondContact O-N 3.05Å
255F26.2Very low26.9Very low186 Ų186155 Ų15582%0.81679%0.787SS**  trans-55.9112.9163-81.1-98.3000109.6L253L253-F255 HydrophobicContact CD2-CD2 4.17Å; L253-F255 HydrophobicContact CD2-CE2 3.81Å
256V29Very low26.8Very low130 Ų130159 Ų15979%0.78880%0.799SS**  trans-123.289.4158-174.50000108L254 R258L254-V256 PolarHBondContact O-N 3.05Å; V256-R258 PolarHBondContact O-N 2.85Å
257N23.1Very low26.8Very low125 Ų125158.1 Ų158.167%0.66879%0.793SS**  trans-67.3113.8164.7-178.93000108.7
258R28.1Very low26.7Very low233 Ų233155 Ų15588%0.87979%0.79SS**  trans-152.7112.3152.9-111.6-176.9-167.3-176.93.9110.8V256V256-R258 PolarHBondContact O-N 2.85Å
259H25.2Very low26.6Very low157 Ų157157.2 Ų157.273%0.72780%0.795SS**  trans-50.9130.4162.3-58.9-78.3000111.9
260D29.5Very low26.5Very low148 Ų148155.1 Ų155.179%0.79180%0.795SS**  trans-172.299.4144.4-93-30.2000107.4
261R26.1Very low26.3Very low215 Ų215155.9 Ų155.981%0.81180%0.797SS**  65.7113.892.6-80-163.9174-153.30.5114.5
262L26.4Very low25.8Very low145 Ų145157.7 Ų157.776%0.75980%0.796SS**  trans57.3113.5144.9-71.789.5000117.6
263S25.4Very low25.8Very low123 Ų123156.4 Ų156.486%0.8679%0.794SS**  167.5138.9103.341.30000111.1
264H24.4Very low25.8Very low191 Ų191155.3 Ų155.388%0.88480%0.797SS**  trans-64127.4173.8-72.4-58.3000111.4
265D27.7Very low25.8Very low154 Ų154155.7 Ų155.782%0.82479%0.792SS**  trans-163.179.3143.4-110.5-18.3000107.7S267D265-S267 PolarHBondContact O-N 2.61Å
266E25.8Very low25.7Very low187 Ų187151.9 Ų151.987%0.87479%0.788SS**  trans-68.882.9160-88.8-174.9151.400107.2L268E266-L268 PolarHBondContact O-N 2.74Å
267S26.8Very low25.6Very low96 Ų96150.7 Ų150.767%0.67178%0.783SS**  trans-61.190.3161.641.50000107.3D265 C269D265-S267 PolarHBondContact O-N 2.61Å; S267-C269 VanDerWaalsContact C-N 3.27Å; S267-C269 PolarHBondContact O-N 2.77Å; S267-C269 PolarHBondContact O-SG 3.05Å; S267-C269 VanDerWaalsContact O-SG 3.41Å
268L26.7Very low25.7Very low154 Ų154152.4 Ų152.481%0.80679%0.793SS**  trans-57.296.2167-78.1163.4000107.5E266 T270E266-L268 PolarHBondContact O-N 2.74Å; L268-T270 PolarHBondContact O-N 3.03Å
269C22.9Very low25.5Very low108 Ų108148.4 Ų148.473%0.7379%0.788SS**  trans-54.2101.8172.9-55.40000108.3S267 V271S267-C269 VanDerWaalsContact C-N 3.27Å; S267-C269 PolarHBondContact O-N 2.77Å; S267-C269 PolarHBondContact O-SG 3.05Å; S267-C269 VanDerWaalsContact O-SG 3.41Å; C269-V271 PolarHBondContact O-N 2.7Å
270T22.3Very low25.4Very low138 Ų138148.3 Ų148.385%0.84779%0.793SS**  trans-70.681.9170.823.10000107.6L268 R272L268-T270 PolarHBondContact O-N 3.03Å; T270-R272 VanDerWaalsContact C-N 3.32Å; T270-R272 PolarHBondContact O-N 3.41Å
271V25.9Very low25.1Very low128 Ų128146.4 Ų146.478%0.77679%0.786SS**  trans-72.996.2169.5-1800000107.4C269 N273C269-V271 PolarHBondContact O-N 2.7Å; V271-N273 PolarHBondContact O-N 2.82Å
272R22.6Very low24.9Very low231 Ų231141 Ų14187%0.87278%0.781SS**  trans-52.7101.5172.7-171.8177-173.5170.41.2109.4T270 S274T270-R272 VanDerWaalsContact C-N 3.32Å; T270-R272 PolarHBondContact O-N 3.41Å; R272-S274 PolarHBondContact O-N 3.3Å
273N24.5Very low24.7Very low137 Ų137139.1 Ų139.173%0.73378%0.779SS**  trans-83.5111.8179.3-146.6-5.2000108.8V271 F275V271-N273 PolarHBondContact O-N 2.82Å; N273-F275 PolarHBondContact O-N 2.92Å
274S25.5Very low24.6Very low103 Ų103144.6 Ų144.672%0.7278%0.781SS**  trans-7719.8-169.9-51.40000115.4R272R272-S274 PolarHBondContact O-N 3.3Å
275F28Very low24.5Very low180 Ų180142.3 Ų142.379%0.78978%0.775SS**  trans-125.376.7-177.9-69.6-81.1000111N273 P277N273-F275 PolarHBondContact O-N 2.92Å; F275-P277 WeakPolarHBondContact O-CD 3.43Å
276S23.1Very low24.3Very low106 Ų106138 Ų13874%0.74177%0.767SS**  trans-102.996159.6-71.30000108.7N278S276-N278 PolarHBondContact O-N 3.19Å
277P27.8Very low24.2Very low106 Ų106136.2 Ų136.269%0.68876%0.763SS**  trans-72.1120.215627.8-23000107.2F275 L279F275-P277 WeakPolarHBondContact O-CD 3.43Å; P277-L279 VanDerWaalsContact C-N 3.29Å; P277-L279 PolarHBondContact O-N 2.95Å
278N24.6Very low24.1Very low161 Ų161136 Ų13686%0.86176%0.762SS**  trans-53.983.9174.6-73.9-48000111.7S276S276-N278 PolarHBondContact O-N 3.19Å
279L24.5Very low24Very low148 Ų148136.8 Ų136.878%0.77577%0.766SS**  trans-10381.3162.6-88.8158.1000107.5P277 V281P277-L279 VanDerWaalsContact C-N 3.29Å; P277-L279 PolarHBondContact O-N 2.95Å; L279-V281 PolarHBondContact O-N 2.78Å
280N22.7Very low24.2Very low156 Ų156139 Ų13983%0.83477%0.77SS**  trans-70.274.1170.9-156.76000108S282N280-S282 VanDerWaalsContact C-N 3.28Å; N280-S282 PolarHBondContact O-N 3.31Å
281V23.5Very low24.2Very low107 Ų107137.9 Ų137.965%0.64876%0.763SS**  trans-76.890.9170.7-176.30000106.4L279 C283L279-V281 PolarHBondContact O-N 2.78Å; V281-C283 VanDerWaalsContact C-N 3.28Å; V281-C283 PolarHBondContact O-N 3.44Å
282S22.5Very low24.1Very low101 Ų101138.7 Ų138.771%0.70676%0.763SS**  trans-64.792.7167.1-177.10000107.9N280 R284N280-S282 VanDerWaalsContact C-N 3.28Å; N280-S282 PolarHBondContact O-N 3.31Å; S282-R284 VanDerWaalsContact C-N 3.29Å; S282-R284 PolarHBondContact O-N 3.44Å
283C22.2Very low24.1Very low107 Ų107135.6 Ų135.672%0.72376%0.758SS**  trans-66.794167.1-65.70000107.3V281 N285V281-C283 VanDerWaalsContact C-N 3.28Å; V281-C283 PolarHBondContact O-N 3.44Å; C283-N285 PolarHBondContact O-N 2.96Å
284R22Very low24.1Very low238 Ų238137.5 Ų137.590%0.89877%0.765SS**  trans-65.5101.3172.7-163.1175.8-174.8-162.91.1107.3S282 G286S282-R284 VanDerWaalsContact C-N 3.29Å; S282-R284 PolarHBondContact O-N 3.44Å; R284-G286 PolarHBondContact O-N 3.44Å
285N23.2Very low24.2Very low143 Ų143138.8 Ų138.877%0.76576%0.763SS**  trans-67.678178.9-157.313.8000109.2C283 N287C283-N285 PolarHBondContact O-N 2.96Å; N285-N287 PolarHBondContact O-N 2.76Å
286G23.5Very low23.9Very low62 Ų62134 Ų13464%0.63975%0.753SS**  trans-94.374177.400000110.4R284 S288R284-G286 PolarHBondContact O-N 3.44Å; G286-S288 PolarHBondContact O-N 2.83Å
287N23.5Very low24Very low150 Ų150139.9 Ų139.980%0.80276%0.76SS**  trans-63.290.9158.4-78.9-14.3000108.2N285N285-N287 PolarHBondContact O-N 2.76Å
288S23.9Very low23.8Very low92 Ų92139.1 Ų139.164%0.64376%0.758SS**  trans-139.595.8161.6640000109.5G286 L290G286-S288 PolarHBondContact O-N 2.83Å; S288-L290 PolarHBondContact O-N 2.79Å
289L25.2Very low23.9Very low170 Ų170136.7 Ų136.789%0.8975%0.751SS**  trans-38.595.5152.7-70.7138.9000110.6
290L26.3Very low24Very low156 Ų156137.8 Ų137.882%0.81775%0.752SS**  trans-135.786161-78.9174.4000108.3S288S288-L290 PolarHBondContact O-N 2.79Å
291T23.1Very low24.1Very low114 Ų114139.1 Ų139.170%0.69975%0.75SS**  trans-42.5137.9154.2-28.50000110.3
292N23.6Very low24.1Very low145 Ų145139.1 Ų139.178%0.77575%0.754SS**  trans69.581.8165-55.5-26.7000117.4
293Q23.7Very low24.2Very low166 Ų166140.1 Ų140.178%0.77676%0.756SS**  trans-121.388.1139.4-73-157.116.400109.3N295Q293-N295 PolarHBondContact O-N 2.84Å; Q293-N295 PolarHBondContact OE1-ND2 3.15Å; Q293-N295 VanDerWaalsContact OE1-ND2 3.17Å
294M22.8Very low24.4Very low177 Ų177139.4 Ų139.487%0.87275%0.752SS**  trans-64.484.2150.1-85.8-166.4152.400107.7
295N28.1Very low24.5Very low129 Ų129136.5 Ų136.569%0.6976%0.755SS**  trans-101.587.5161.5-77.5-2.7000107.7Q293Q293-N295 PolarHBondContact O-N 2.84Å; Q293-N295 PolarHBondContact OE1-ND2 3.15Å; Q293-N295 VanDerWaalsContact OE1-ND2 3.17Å
296S22.8Very low24.6Very low81 Ų81133.5 Ų133.557%0.56675%0.745SS**  trans-59.7152.5155.5-490000109.7
297Y23.9Very low24.6Very low228 Ų228134.3 Ų134.389%0.89475%0.753SS**  trans77.2122.5175-48.1-80.2000113.7
298S23.8Very low24.8Very low91 Ų91135.5 Ų135.564%0.63675%0.748SS**  cis-157.8140.636.4179.70000109.7E300S298-E300 PolarHBondContact O-N 3.41Å
299P26.4Very low24.8Very low110 Ų110139.1 Ų139.171%0.71475%0.754SS**  trans-70.793.9167.628.9-29.8000108.5F301P299-F301 PolarHBondContact O-N 2.93Å
300E27.4Very low25.1Very low170 Ų170138.2 Ų138.279%0.79475%0.75SS**  trans-64.3106.9169.6-75-177.7166.500108.6S298 C302S298-E300 PolarHBondContact O-N 3.41Å; E300-C302 VanDerWaalsContact C-N 3.28Å; E300-C302 PolarHBondContact O-N 2.96Å
301F24.5Very low25.1Very low184 Ų184136.1 Ų136.181%0.80774%0.743SS**  trans-53.487.8165.3-91.9-104.1000109.8P299 T303P299-F301 PolarHBondContact O-N 2.93Å; F301-T303 VanDerWaalsContact C-N 3.33Å; F301-T303 HydrophobicContact CD1-CG2 4.28Å; F301-T303 PolarHBondContact O-N 3.5Å
302C24Very low25.3Very low108 Ų108134.3 Ų134.373%0.7375%0.748SS**  trans-90.679.9160.6-77.90000108.1E300 S304E300-C302 VanDerWaalsContact C-N 3.28Å; E300-C302 PolarHBondContact O-N 2.96Å; C302-S304 PolarHBondContact O-N 2.74Å
303T23.9Very low25.6Very low121 Ų121132 Ų13274%0.74274%0.743SS**  trans-67.372160.943.90000109.1F301 N305F301-T303 VanDerWaalsContact C-N 3.33Å; F301-T303 HydrophobicContact CD1-CG2 4.28Å; F301-T303 PolarHBondContact O-N 3.5Å; T303-N305 PolarHBondContact O-N 3.01Å
304S26.4Very low26Very low93 Ų93129.6 Ų129.665%0.6574%0.744SS**  trans-97.388.7169.4-60.30000107.1C302 S306C302-S304 PolarHBondContact O-N 2.74Å; S304-S306 PolarHBondContact O-N 2.96Å
305N24.2Very low26.6Very low176 Ų176129.6 Ų129.694%0.94174%0.739SS**  trans-56.579.9159.4-88.4-16.4000108.7T303T303-N305 PolarHBondContact O-N 3.01Å
306S25.5Very low27.2Very low80 Ų80129.7 Ų129.756%0.55974%0.74SS**  trans-104.6104.5157.854.40000106.4S304 Y308S304-S306 PolarHBondContact O-N 2.96Å; S306-Y308 WeakPolarHBondContact O-CD1 3.36Å; S306-Y308 PolarHBondContact O-N 2.68Å
307G23.9Very low27.9Very low79 Ų79135 Ų13581%0.81476%0.755SS**  trans-58.295.3164.100000107.8E309G307-E309 PolarHBondContact O-N 2.91Å
308Y28Very low28.7Very low176 Ų176126.9 Ų126.969%0.6973%0.727SS**  trans-74.490.5156.240.5-86.3000105.3S306 L310S306-Y308 WeakPolarHBondContact O-CD1 3.36Å; S306-Y308 PolarHBondContact O-N 2.68Å; Y308-L310 HydrophobicContact CD2-CD1 4.08Å; Y308-L310 HydrophobicContact CD2-CG 4.26Å; Y308-L310 HydrophobicContact CE2-CD1 4.39Å; Y308-L310 PolarHBondContact O-N 3.01Å
309E23Very low29.2Very low167 Ų167127.9 Ų127.978%0.7873%0.725SS**  trans-45.199.1145.4-79.9178.9134.300106.4G307 T311G307-E309 PolarHBondContact O-N 2.91Å; E309-T311 HydrophobicContact CB-CG2 4.43Å; E309-T311 PolarHBondContact O-N 3.49Å
310L30.9Very low30.2Very low151 Ų151127.6 Ų127.679%0.79172%0.723SS**  trans-68.473.4161.3-84151.3000106Y308 G312Y308-L310 HydrophobicContact CD2-CD1 4.08Å; Y308-L310 HydrophobicContact CD2-CG 4.26Å; Y308-L310 HydrophobicContact CE2-CD1 4.39Å; Y308-L310 PolarHBondContact O-N 3.01Å; L310-G312 PolarHBondContact O-N 2.86Å
311T27.6Very low30.9Very low112 Ų112126.1 Ų126.169%0.68772%0.72SS**  trans-47.6113.2156.739.20000105.5E309 S313E309-T311 HydrophobicContact CB-CG2 4.43Å; E309-T311 PolarHBondContact O-N 3.49Å; T311-S313 PolarHBondContact O-N 3.48Å
312G26.9Very low31.7Very low77 Ų77121.7 Ų121.779%0.79470%0.704SS**  trans-56.392179.900000109L310 S314L310-G312 PolarHBondContact O-N 2.86Å; G312-S314 PolarHBondContact O-N 2.83Å
313S29.2Very low32.5Very low95 Ų95120 Ų12066%0.66469%0.69SS**  trans-66.1108.2173.6-179.20000106T311 K315T311-S313 PolarHBondContact O-N 3.48Å; S313-K315 PolarHBondContact O-N 2.85Å
314S33.9Very low33.5Very low116 Ų116118.8 Ų118.881%0.81169%0.687SS**THydrogen-bonded Turntrans-65.432.9-17849.40000114G312G312-S314 PolarHBondContact O-N 2.83Å
315K35.4Very low34.1Very low177 Ų177117.4 Ų117.477%0.7767%0.674SS**THydrogen-bonded Turntrans-109.31.1-173-90.8-177175.1177.20116.5S313S313-K315 PolarHBondContact O-N 2.85Å
316N39.7Very low34.5Very low131 Ų131116.6 Ų116.670%0.70166%0.659SS**  trans-105.475.6172.1-71.6-8.9000109.9I318N316-I318 HydrophobicContact CB-CD1 3.93Å; N316-I318 HydrophobicContact CB-CG1 3.97Å; N316-I318 PolarHBondContact O-N 2.88Å
317H37.2Very low35.1Very low192 Ų192117.8 Ų117.889%0.88967%0.665SS**  trans-66.863.6151.8-83.4-58.9000108.6
318I41.7Very low35.7Very low59 Ų59119.1 Ų119.130%0.30366%0.662SS.*  trans-83118.9166.2-64171.9000104.3N316 L322 V323N316-I318 HydrophobicContact CB-CD1 3.93Å; N316-I318 HydrophobicContact CB-CG1 3.97Å; N316-I318 PolarHBondContact O-N 2.88Å; I318-L322 HydrophobicContact CG2-CB 3.61Å; I318-V323 HydrophobicContact CB-CG2 4.04Å; I318-V323 HydrophobicContact CG2-CG2 3.74Å
319N33.9Very low36.3Very low112 Ų112117.5 Ų117.560%0.59967%0.67SS**  trans-45.6133.5171.1-103.9-33.8000108.6I321 L322 V323N319-I321 PolarHBondContact O-N 3.31Å; N319-L322 WeakPolarHBondContact O-CA 3.5Å; N319-L322 PolarHBondContact O-N 3.32Å; N319-V323 PolarHBondContact O-N 2.92Å
320P46.8Very low36.8Very low104 Ų104112.1 Ų112.168%0.67566%0.659SS**Hα-helixtrans-56.2-25.4-17717.8-29.5000113.1L322 V323P320-L322 VanDerWaalsContact C-N 3.27Å; P320-L322 PolarHBondContact O-N 3.5Å; P320-V323 PolarHBondContact O-N 3.47Å
321I42.5Very low36.8Very low139 Ų139109.5 Ų109.571%0.71365%0.653SS**Hα-helixtrans-63.5-31.6172.6-55.6174.7000112.2N319 S324N319-I321 PolarHBondContact O-N 3.31Å; I321-S324 PolarHBondContact O-OG 3.08Å; I321-S324 VanDerWaalsContact O-OG 3.06Å
322L41.6Very low37Very low91 Ų91111.1 Ų111.148%0.47666%0.658SS.*Hα-helixtrans-93.3-12.7177.7-64.4177.8000113.1I318 N319 P320 S324 T325I318-L322 HydrophobicContact CG2-CB 3.61Å; N319-L322 WeakPolarHBondContact O-CA 3.5Å; N319-L322 PolarHBondContact O-N 3.32Å; P320-L322 VanDerWaalsContact C-N 3.27Å; P320-L322 PolarHBondContact O-N 3.5Å; L322-S324 PolarHBondContact O-N 3.4Å; L322-T325 VanDerWaalsContact C-OG1 3.28Å; L322-T325 VanDerWaalsContact CA-OG1 3.29Å; L322-T325 WeakPolarHBondContact CA-OG1 3.34Å; L322-T325 PolarHBondContact O-N 3.44Å; L322-T325 PolarHBondContact O-OG1 2.83Å
323V40.9Very low37.1Very low71 Ų71115.1 Ų115.143%0.4366%0.66SS.*Hα-helixtrans-63.9-33.2173.31740000110.2I318 N319 P320 T325 Y326I318-V323 HydrophobicContact CB-CG2 4.04Å; I318-V323 HydrophobicContact CG2-CG2 3.74Å; N319-V323 PolarHBondContact O-N 2.92Å; P320-V323 PolarHBondContact O-N 3.47Å; V323-T325 PolarHBondContact O-N 2.93Å; V323-Y326 PolarHBondContact O-N 3.16Å; V323-Y326 VanDerWaalsContact O-O 3.1Å
324S43.6Very low37.1Very low97 Ų97117.8 Ų117.868%0.67866%0.661SS**THydrogen-bonded Turntrans-68.5-11.4173.3650000114.2I321 L322I321-S324 PolarHBondContact O-OG 3.08Å; I321-S324 VanDerWaalsContact O-OG 3.06Å; L322-S324 PolarHBondContact O-N 3.4Å
325T40.5Very low36.8Very low63 Ų63118.4 Ų118.439%0.38767%0.665SS.*THydrogen-bonded Turntrans-88.1-14.2174.725.30000114.3L322 V323L322-T325 VanDerWaalsContact C-OG1 3.28Å; L322-T325 VanDerWaalsContact CA-OG1 3.29Å; L322-T325 WeakPolarHBondContact CA-OG1 3.34Å; L322-T325 PolarHBondContact O-N 3.44Å; L322-T325 PolarHBondContact O-OG1 2.83Å; V323-T325 PolarHBondContact O-N 2.93Å
326Y32.6Very low36.5Very low159 Ų159117.7 Ų117.762%0.62466%0.664SS**SBendtrans-116.3112.4177.3-66.3-79.8000109.7V323 S328V323-Y326 PolarHBondContact O-N 3.16Å; V323-Y326 VanDerWaalsContact O-O 3.1Å; Y326-S328 PolarHBondContact O-N 2.82Å; Y326-S328 VanDerWaalsContact O-N 3.1Å
327P36.6Very low35.9Very low105 Ų105122.7 Ų122.768%0.68267%0.673SS**  trans-58122.9169.422.9-29.6000107.9V329P327-V329 PolarHBondContact O-N 3.34Å; P327-V329 VanDerWaalsContact O-N 3.1Å
328S38.3Very low35.7Very low108 Ų108118.9 Ų118.976%0.75567%0.668SS**  trans-61115.1163.4-62.20000105.7Y326 G330Y326-S328 PolarHBondContact O-N 2.82Å; Y326-S328 VanDerWaalsContact O-N 3.1Å; S328-G330 PolarHBondContact O-N 3.01Å
329V38.6Very low35.4Very low141 Ų141120.3 Ų120.386%0.85569%0.689SS**  trans-7373.6173.9-163.10000106.6P327P327-V329 PolarHBondContact O-N 3.34Å; P327-V329 VanDerWaalsContact O-N 3.1Å
330G34.4Very low35.6Very low54 Ų54122.9 Ų122.956%0.55770%0.701SS**  trans-73.5120.5170.700000107.7S328 D332S328-G330 PolarHBondContact O-N 3.01Å; G330-D332 PolarHBondContact O-N 2.75Å
331S29.9Very low35.3Very low96 Ų96123 Ų12367%0.67169%0.691SS**  trans-69.351.9179.1-44.90000112.2I333S331-I333 PolarHBondContact O-N 3.5Å
332D32.5Very low35.3Very low146 Ų146120 Ų12078%0.78168%0.676SS**  trans-91.295.3173.9-74.4-30.3000108.6G330 H334G330-D332 PolarHBondContact O-N 2.75Å; D332-H334 PolarHBondContact O-N 2.84Å
333I29.8Very low35.4Very low162 Ų162118.2 Ų118.283%0.83167%0.67SS**  trans-67.568.2168.1-50.7166.5000107.2S331S331-I333 PolarHBondContact O-N 3.5Å
334H27.9Very low35.7Very low151 Ų151119.9 Ų119.970%0.69968%0.677SS**  trans-113.1109.3163.7-86.6-0.8000108D332 H336D332-H334 PolarHBondContact O-N 2.84Å; H334-H336 PolarHBondContact O-N 3.02Å
335S27.4Very low35.8Very low128 Ų128121.9 Ų121.990%0.89568%0.675SS**  trans-63.869.1178.2-158.30000109.6R337S335-R337 VanDerWaalsContact C-N 3.31Å; S335-R337 PolarHBondContact O-N 2.85Å; S335-R337 VanDerWaalsContact O-N 3.08Å
336H30.9Very low35.8Very low163 Ų163121.3 Ų121.376%0.75567%0.673SS**  trans-77.594.5164.9-79.4-73.3000106.9H334 S338H334-H336 PolarHBondContact O-N 3.02Å; H336-S338 PolarHBondContact O-N 3.08Å; H336-S338 VanDerWaalsContact O-N 3.12Å
337R27.1Very low36.1Very low235 Ų235122 Ų12289%0.88768%0.68SS**  trans-27.7115.9155.7-173.8-178.5-165.1-164.43.4108.6S335 A339S335-R337 VanDerWaalsContact C-N 3.31Å; S335-R337 PolarHBondContact O-N 2.85Å; S335-R337 VanDerWaalsContact O-N 3.08Å; R337-A339 VanDerWaalsContact C-N 3.26Å; R337-A339 PolarHBondContact O-N 3.26Å
338S32.7Very low36Very low112 Ų112126.5 Ų126.578%0.78368%0.683SS**  trans-53.689.8179.4-510000109.6H336 I340H336-S338 PolarHBondContact O-N 3.08Å; H336-S338 VanDerWaalsContact O-N 3.12Å; S338-I340 PolarHBondContact O-N 2.89Å; S338-I340 VanDerWaalsContact O-N 3.12Å
339A34.4Very low35.8Very low89 Ų89125.7 Ų125.774%0.73668%0.678SS**  trans-63.9114.2163.300000104.2R337 F341R337-A339 VanDerWaalsContact C-N 3.26Å; R337-A339 PolarHBondContact O-N 3.26Å; A339-F341 VanDerWaalsContact C-N 3.28Å; A339-F341 PolarHBondContact O-N 2.99Å
340I38.3Very low35.7Very low166 Ų166128.4 Ų128.485%0.85167%0.674SS**  trans-57.6102.4170.4-63.3166.7000104.5S338 D342S338-I340 PolarHBondContact O-N 2.89Å; S338-I340 VanDerWaalsContact O-N 3.12Å; I340-D342 PolarHBondContact O-N 3.01Å
341F41.4Very low35.7Very low108 Ų108136.5 Ų136.547%0.47469%0.689SS.*  trans-69.6113.6-176.6-167.8-91.2000107.1I25 C28 A339 P343I25-F341 HydrophobicContact CG1-CD1 4.37Å; I25-F341 HydrophobicContact CG1-CE1 4.46Å; I25-F341 HydrophobicContact CG2-CD1 4.39Å; I25-F341 HydrophobicContact CG2-CE1 4.27Å; C28-F341 HydrophobicContact CB-CE1 4.43Å; C28-F341 HydrophobicContact CB-CZ 4.19Å; A339-F341 VanDerWaalsContact C-N 3.28Å; A339-F341 PolarHBondContact O-N 2.99Å; F341-P343 VanDerWaalsContact O-CD 3.29Å; F341-P343 WeakPolarHBondContact O-CD 3.42Å
342D42.4Very low35.7Very low74 Ų74137.5 Ų137.540%0.39669%0.688SS.*  trans-87110.4173.1-173.7-7.5000108.1I340 N344 E345I340-D342 PolarHBondContact O-N 3.01Å; D342-N344 PolarHBondContact O-N 3.33Å; D342-N344 VanDerWaalsContact OD1-CB 3.28Å; D342-N344 WeakPolarHBondContact OD1-CB 3.5Å; D342-N344 PolarHBondContact OD1-N 3.32Å; D342-N344 PolarHBondContact OD1-ND2 3Å; D342-E345 HydrophobicContact CB-CG 4.43Å; D342-E345 PolarHBondContact O-N 3.35Å
343P43.5Very low35.5Very low54 Ų54136.4 Ų136.435%0.35169%0.69SS.*G310 helixtrans-59.6-16.5178.123.9-32.6000113F341 E345 C346F341-P343 VanDerWaalsContact O-CD 3.29Å; F341-P343 WeakPolarHBondContact O-CD 3.42Å; P343-E345 VanDerWaalsContact C-N 3.28Å; P343-E345 PolarHBondContact O-N 3.11Å; P343-C346 WeakPolarHBondContact O-CB 3.3Å; P343-C346 PolarHBondContact O-N 3.47Å; P343-C346 PolarHBondContact O-SG 2.94Å; P343-C346 VanDerWaalsContact O-SG 3.42Å
344N46Very low35.5Very low107 Ų107133.7 Ų133.757%0.57268%0.681SS**G310 helixtrans-72.1-19.5174.9-60.2-56.1000113.5D342 C346 F347D342-N344 PolarHBondContact O-N 3.33Å; D342-N344 VanDerWaalsContact OD1-CB 3.28Å; D342-N344 WeakPolarHBondContact OD1-CB 3.5Å; D342-N344 PolarHBondContact OD1-N 3.32Å; D342-N344 PolarHBondContact OD1-ND2 3Å; N344-C346 PolarHBondContact O-N 3.37Å; N344-F347 PolarHBondContact O-N 3.26Å
345E46.1Very low35.6Very low138 Ų138131 Ų13165%0.64568%0.679SS**G310 helixtrans-65.8-25.8174.7-76.3-168.5156.700112.1D342 P343 F347 R348D342-E345 HydrophobicContact CB-CG 4.43Å; D342-E345 PolarHBondContact O-N 3.35Å; P343-E345 VanDerWaalsContact C-N 3.28Å; P343-E345 PolarHBondContact O-N 3.11Å; E345-F347 PolarHBondContact O-N 3.47Å; E345-R348 PolarHBondContact O-N 3.3Å; E345-R348 VanDerWaalsContact O-N 3.08Å
346C40.5Very low35.6Very low51 Ų51134.7 Ų134.735%0.34568%0.675SS.*G310 helixtrans-62.6-26.5174.8-49.60000113.2C28 P343 N344C28-C346 HydrophobicContact CB-CB 3.99Å; C28-C346 WeakPolarHBondContact CB-SG 3.28Å; C28-C346 WeakPolarHBondContact SG-CB 3.47Å; C28-C346 CovalentContact SG-SG 2.01Å; C28-C346 PolarHBondContact SG-SG 3.11Å; P343-C346 WeakPolarHBondContact O-CB 3.3Å; P343-C346 PolarHBondContact O-N 3.47Å; P343-C346 PolarHBondContact O-SG 2.94Å; P343-C346 VanDerWaalsContact O-SG 3.42Å; N344-C346 PolarHBondContact O-N 3.37Å
347F38.9Very low35.5Very low175 Ų175134.2 Ų134.277%0.76867%0.672SS**G310 helixtrans-87.8-5.5178.9-68.6-77000113.2N344 E345 S349N344-F347 PolarHBondContact O-N 3.26Å; E345-F347 PolarHBondContact O-N 3.47Å; F347-S349 PolarHBondContact O-N 2.95Å
348R34.2Very low35.7Very low198 Ų198128.7 Ų128.775%0.74767%0.667SS**  trans-75.778.4164.7-94.2-175.6162.4-161.7-4.7108.5E345 Y350E345-R348 PolarHBondContact O-N 3.3Å; E345-R348 VanDerWaalsContact O-N 3.08Å; R348-Y350 PolarHBondContact O-N 2.77Å
349S34.2Very low35.6Very low92 Ų92129.1 Ų129.164%0.64367%0.67SS**  trans-52109.4155.7-58.90000107.1F347 Y351F347-S349 PolarHBondContact O-N 2.95Å; S349-Y351 VanDerWaalsContact C-N 3.31Å; S349-Y351 PolarHBondContact O-N 2.83Å
350Y37.5Very low35.2Very low197 Ų197128.2 Ų128.277%0.77367%0.669SS**  trans-60.592.9177.1-98-102.4000108.6R348 D352R348-Y350 PolarHBondContact O-N 2.77Å; Y350-D352 HydrophobicContact CD1-CB 3.96Å; Y350-D352 PolarHBondContact O-N 2.98Å
351Y34.4Very low34.7Very low224 Ų224125.2 Ų125.288%0.87866%0.663SS**  trans-71.467.5153.2-71.6-84.4000107.9S349S349-Y351 VanDerWaalsContact C-N 3.31Å; S349-Y351 PolarHBondContact O-N 2.83Å
352D29.7Very low34Very low118 Ų118127.4 Ų127.463%0.63168%0.68SS**  trans-131.442.9168.3-130.1-4.3000108.5Y350 T354Y350-D352 HydrophobicContact CD1-CB 3.96Å; Y350-D352 PolarHBondContact O-N 2.98Å; D352-T354 PolarHBondContact O-N 2.91Å
353C28.6Very low33.2Very low122 Ų122130.7 Ų130.782%0.82470%0.697SS**  trans-69.585.5159.1-690000107S355C353-S355 PolarHBondContact O-N 3.05Å
354T30.1Very low32.6Very low106 Ų106135.8 Ų135.865%0.6572%0.721SS**  trans-50.9107.1160.940.40000107.7D352 Y356D352-T354 PolarHBondContact O-N 2.91Å; T354-Y356 VanDerWaalsContact C-N 3.35Å; T354-Y356 PolarHBondContact O-N 3.2Å
355S30.2Very low31.5Very low93 Ų93133.8 Ų133.865%0.6573%0.726SS**  trans-57.697.8174.8-177.50000108.2C353 H357C353-S355 PolarHBondContact O-N 3.05Å; S355-H357 VanDerWaalsContact C-N 3.27Å; S355-H357 PolarHBondContact O-N 3.02Å
356Y27.2Very low30.5Very low207 Ų207132.8 Ų132.881%0.81273%0.734SS**  trans-70.489170-112-93.6000107T354 P358T354-Y356 VanDerWaalsContact C-N 3.35Å; T354-Y356 PolarHBondContact O-N 3.2Å; Y356-P358 VanDerWaalsContact O-CD 3.29Å; Y356-P358 WeakPolarHBondContact O-CD 3.35Å
357H28.4Very low29.8Very low152 Ų152135.2 Ų135.270%0.70475%0.752SS**  trans-67119.7166.5-91.8-82.8000108.3S355 S359S355-H357 VanDerWaalsContact C-N 3.27Å; S355-H357 PolarHBondContact O-N 3.02Å; H357-S359 PolarHBondContact O-N 2.77Å; H357-S359 VanDerWaalsContact O-N 3.07Å
358P30.1Very low29.3Very low119 Ų119132.4 Ų132.477%0.77375%0.754SS**  trans-66.7111.3172.925.7-30.1000107.8Y356 G360Y356-P358 VanDerWaalsContact O-CD 3.29Å; Y356-P358 WeakPolarHBondContact O-CD 3.35Å; P358-G360 VanDerWaalsContact C-N 3.33Å; P358-G360 PolarHBondContact O-N 3.45Å
359S30.9Very low28.8Very low122 Ų122127.2 Ų127.285%0.85376%0.762SS**  trans-57.698.6170.6-61.50000108.8H357 S361H357-S359 PolarHBondContact O-N 2.77Å; H357-S359 VanDerWaalsContact O-N 3.07Å; S359-S361 PolarHBondContact O-N 3.05Å; S359-S361 VanDerWaalsContact O-N 3.13Å
360G27.1Very low28.3Very low69 Ų69126.1 Ų126.171%0.71177%0.765SS**  trans-58.2113.1170.200000108.9P358 N362P358-G360 VanDerWaalsContact C-N 3.33Å; P358-G360 PolarHBondContact O-N 3.45Å; G360-N362 VanDerWaalsContact C-N 3.32Å; G360-N362 PolarHBondContact O-N 3.42Å
361S27Very low27.8Very low103 Ų103124.4 Ų124.472%0.7277%0.77SS**  trans-65.889171.8-177.50000109.1S359S359-S361 PolarHBondContact O-N 3.05Å; S359-S361 VanDerWaalsContact O-N 3.13Å
362N27.8Very low27.6Very low154 Ų154120.5 Ų120.582%0.82476%0.764SS**  trans-97.7100.8165.1-89.5-11.7000108.6G360 N364G360-N362 VanDerWaalsContact C-N 3.32Å; G360-N362 PolarHBondContact O-N 3.42Å; N362-N364 PolarHBondContact O-N 3.17Å; N362-N364 VanDerWaalsContact O-N 3.1Å
363N25.8Very low27.4Very low143 Ų143120.5 Ų120.577%0.76577%0.773SS**  trans-54.2106.3162.4-73.2-40.6000109.6
364N29.2Very low27.5Very low161 Ų161119.2 Ų119.286%0.86177%0.766SS**  trans-161.4105.1155.6-86-30.2000103.6N362N362-N364 PolarHBondContact O-N 3.17Å; N362-N364 VanDerWaalsContact O-N 3.1Å
365G23.9Very low27.4Very low65 Ų65120 Ų12067%0.6777%0.77SS**  102.9102.875.900000107.5
366S24.4Very low27.4Very low117 Ų117119.8 Ų119.882%0.81877%0.769SS**  trans71.7132.6144.1-50.90000120.6
367S25.8Very low27.4Very low103 Ų103116.1 Ų116.172%0.7276%0.763SS**  trans70.3103.4146.276.70000119.2
368S28.2Very low27.3Very low116 Ų116118.5 Ų118.581%0.81177%0.767SS**  41.311712362.50000119.2
369G24.5Very low27.2Very low88 Ų88120.1 Ų120.191%0.90777%0.765SS**  trans102.5131.1139.200000115
370G24.1Very low27Very low69 Ų69123.8 Ų123.871%0.71177%0.765SS**  trans127.584.3162.500000112.9N372G370-N372 PolarHBondContact O-N 2.91Å; G370-N372 VanDerWaalsContact O-N 3.13Å
371D26.7Very low27.1Very low162 Ų162131.7 Ų131.787%0.86678%0.775SS**  trans-46.7113.8150.9-63.4-51.8000109.1
372N29.3Very low27.1Very low141 Ų141137.8 Ų137.875%0.75478%0.783SS**  trans-14892.5156.4-88.6-32.4000106.8G370 S374G370-N372 PolarHBondContact O-N 2.91Å; G370-N372 VanDerWaalsContact O-N 3.13Å; N372-S374 PolarHBondContact O-N 3.44Å; N372-S374 PolarHBondContact O-OG 2.86Å
373S26.3Very low27.2Very low119 Ų119134.5 Ų134.583%0.83278%0.777SS**  trans-57.676.1161.555.20000109.3T375S373-T375 VanDerWaalsContact C-N 3.3Å; S373-T375 PolarHBondContact O-N 2.87Å
374S30.7Very low27.5Very low95 Ų95133.5 Ų133.566%0.66477%0.771SS**  trans-92.477.3171-46.50000105.6N372 S376N372-S374 PolarHBondContact O-N 3.44Å; N372-S374 PolarHBondContact O-OG 2.86Å; S374-S376 PolarHBondContact O-N 3.01Å
375T28.9Very low27.7Very low122 Ų122132.5 Ų132.575%0.74877%0.765SS**  trans-53.996.6158.68.80000105.9S373 N377S373-T375 VanDerWaalsContact C-N 3.3Å; S373-T375 PolarHBondContact O-N 2.87Å; T375-N377 PolarHBondContact O-N 2.9Å
376S28.9Very low28.1Very low89 Ų89135.8 Ų135.862%0.62277%0.768SS**  trans-66.789.117454.50000106.9S374 Y378S374-S376 PolarHBondContact O-N 3.01Å; S376-Y378 PolarHBondContact O-N 2.96Å
377N27.8Very low28.6Very low129 Ų129135 Ų13569%0.6976%0.762SS**  trans-60.385.8164.6-82.1-23.7000107.2T375 H379T375-N377 PolarHBondContact O-N 2.9Å; N377-H379 PolarHBondContact O-N 2.81Å
378Y25.6Very low28.9Very low202 Ų202137.2 Ų137.279%0.79277%0.765SS**  trans-6987.4161.6-81.7-83.5000106.8S376 F380S376-Y378 PolarHBondContact O-N 2.96Å; Y378-F380 PolarHBondContact O-N 2.93Å; Y378-F380 VanDerWaalsContact O-N 3.12Å
379H27.6Very low28.9Very low154 Ų154140.3 Ų140.371%0.71377%0.766SS**  trans-58111.9164.9-87.5-80.9000107.7N377 Y381N377-H379 PolarHBondContact O-N 2.81Å; H379-Y381 PolarHBondContact O-N 2.83Å; H379-Y381 VanDerWaalsContact O-N 3.1Å
380F28.4Very low29.3Very low199 Ų199144.8 Ų144.887%0.87378%0.784SS**  trans-55.1116.4163.3-86.5-94.7000107.8Y378 R382Y378-F380 PolarHBondContact O-N 2.93Å; Y378-F380 VanDerWaalsContact O-N 3.12Å; F380-R382 VanDerWaalsContact C-N 3.27Å; F380-R382 PolarHBondContact O-N 2.91Å
381Y28.6Very low29.5Very low234 Ų234148.6 Ų148.692%0.91879%0.788SS**  trans-61.594.3167.1-79.9-91.1000107.7H379 A383H379-Y381 PolarHBondContact O-N 2.83Å; H379-Y381 VanDerWaalsContact O-N 3.1Å; Y381-A383 PolarHBondContact O-N 2.92Å; Y381-A383 VanDerWaalsContact O-N 3.09Å
382R27.2Very low29.7Very low232 Ų232147.9 Ų147.988%0.87578%0.784SS**  trans-70.4100.6163-153.1178.6-166176.13104.6F380 D384F380-R382 VanDerWaalsContact C-N 3.27Å; F380-R382 PolarHBondContact O-N 2.91Å; R382-D384 PolarHBondContact O-N 3.02Å
383A29.6Very low29.7Very low84 Ų84148.3 Ų148.369%0.69479%0.785SS**  trans-57.6109.1173.800000107.8Y381 L385Y381-A383 PolarHBondContact O-N 2.92Å; Y381-A383 VanDerWaalsContact O-N 3.09Å; A383-L385 VanDerWaalsContact C-N 3.35Å; A383-L385 PolarHBondContact O-N 2.84Å
384D31.6Very low29.9Very low122 Ų122150 Ų15065%0.65278%0.783SS**  trans-6298.2172.6-91.7-36000108.4R382 N386 S387R382-D384 PolarHBondContact O-N 3.02Å; D384-N386 PolarHBondContact O-N 3.41Å; D384-S387 PolarHBondContact O-N 2.83Å; D384-S387 PolarHBondContact O-OG 3.42Å
385L33.2Very low29.9Very low141 Ų141153.4 Ų153.474%0.73879%0.79SS**G310 helixtrans-61.6-3.2174-91156.6000113.3A383 S387A383-L385 VanDerWaalsContact C-N 3.35Å; A383-L385 PolarHBondContact O-N 2.84Å; L385-S387 VanDerWaalsContact C-N 3.29Å; L385-S387 PolarHBondContact O-N 2.93Å
386N33.1Very low29.9Very low134 Ų134155.5 Ų155.572%0.71779%0.793SS**G310 helixtrans-78.9-8.2176.8-71.5-11.2000113.8D384 L388D384-N386 PolarHBondContact O-N 3.41Å; N386-L388 VanDerWaalsContact C-N 3.32Å
387S33.9Very low30Very low101 Ų101160.3 Ų160.371%0.70681%0.805SS**G310 helixtrans-83.6-2176.358.40000114.6D384 L385D384-S387 PolarHBondContact O-N 2.83Å; D384-S387 PolarHBondContact O-OG 3.42Å; L385-S387 VanDerWaalsContact C-N 3.29Å; L385-S387 PolarHBondContact O-N 2.93Å
388L32.6Very low30.2Very low149 Ų149162.7 Ų162.778%0.7881%0.814SS**G310 helixtrans-101.58.8177.3-90.9159.5000114.2N386N386-L388 VanDerWaalsContact C-N 3.32Å
389Q28Very low30.6Very low180 Ų180159.4 Ų159.484%0.84182%0.816SS**  trans-108.777.8165.7-80.2-177.4-18.200109.8
390S32.9Very low30.8Very low183 Ų183159.9 Ų159.9100%1.2883%0.825SS**  trans-1320155.8810000110

Retrieved 390 of 390 residues in 106.2 ms (Link to these results)